USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 70 SER OG : rot -120:sc= -1.56! USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.11 USER MOD Set 2.1: A 3 MET CE :methyl -138:sc= -4! (180deg=-0.67) USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 7 GLN : amide:sc= -1.85 K(o=-1.8,f=-2.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -1.08 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -68:sc= 0.545 USER MOD Single : A 46 MET CE :methyl -171:sc= 0 (180deg=-0.255) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.025 K(o=-0.025,f=-0.82) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00453 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -144:sc= -0.257 (180deg=-1.22) USER MOD Single : A 82 MET CE :methyl 155:sc= -0.482 (180deg=-0.553) USER MOD Single : A 85 GLN : amide:sc= -0.388 K(o=-0.39,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -11.754 -2.979 -6.615 1.00 0.00 N ATOM 25 CA MET A 3 -10.988 -2.655 -5.376 1.00 0.00 C ATOM 26 C MET A 3 -11.137 -3.792 -4.359 1.00 0.00 C ATOM 27 O MET A 3 -10.261 -4.029 -3.551 1.00 0.00 O ATOM 28 CB MET A 3 -11.523 -1.355 -4.768 1.00 0.00 C ATOM 29 CG MET A 3 -13.011 -1.509 -4.448 1.00 0.00 C ATOM 30 SD MET A 3 -13.334 -0.901 -2.772 1.00 0.00 S ATOM 31 CE MET A 3 -12.746 -2.363 -1.882 1.00 0.00 C ATOM 0 HA MET A 3 -9.935 -2.534 -5.629 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.969 -1.112 -3.861 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.374 -0.529 -5.463 1.00 0.00 H new ATOM 0 HG2 MET A 3 -13.609 -0.952 -5.170 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.305 -2.555 -4.530 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.429 -2.589 -1.063 1.00 0.00 H new ATOM 0 HE2 MET A 3 -12.704 -3.212 -2.564 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.751 -2.169 -1.482 1.00 0.00 H new ATOM 41 N THR A 4 -12.237 -4.493 -4.389 1.00 0.00 N ATOM 42 CA THR A 4 -12.434 -5.608 -3.421 1.00 0.00 C ATOM 43 C THR A 4 -11.794 -6.884 -3.972 1.00 0.00 C ATOM 44 O THR A 4 -10.692 -7.243 -3.606 1.00 0.00 O ATOM 45 CB THR A 4 -13.933 -5.835 -3.207 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.451 -4.805 -2.377 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.160 -7.191 -2.538 1.00 0.00 C ATOM 0 H THR A 4 -13.007 -4.342 -5.041 1.00 0.00 H new ATOM 0 HA THR A 4 -11.966 -5.353 -2.470 1.00 0.00 H new ATOM 0 HB THR A 4 -14.442 -5.820 -4.171 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.411 -4.947 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.228 -7.348 -2.388 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.763 -7.982 -3.174 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.651 -7.211 -1.574 1.00 0.00 H new ATOM 55 N ASP A 5 -12.476 -7.570 -4.848 1.00 0.00 N ATOM 56 CA ASP A 5 -11.906 -8.821 -5.424 1.00 0.00 C ATOM 57 C ASP A 5 -10.434 -8.592 -5.768 1.00 0.00 C ATOM 58 O ASP A 5 -9.638 -9.509 -5.789 1.00 0.00 O ATOM 59 CB ASP A 5 -12.676 -9.196 -6.691 1.00 0.00 C ATOM 60 CG ASP A 5 -13.813 -10.155 -6.331 1.00 0.00 C ATOM 61 OD1 ASP A 5 -13.549 -11.341 -6.224 1.00 0.00 O ATOM 62 OD2 ASP A 5 -14.928 -9.686 -6.167 1.00 0.00 O ATOM 0 H ASP A 5 -13.403 -7.318 -5.190 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.990 -9.630 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.078 -8.300 -7.164 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -12.006 -9.664 -7.412 1.00 0.00 H new ATOM 67 N GLN A 6 -10.068 -7.370 -6.039 1.00 0.00 N ATOM 68 CA GLN A 6 -8.651 -7.070 -6.379 1.00 0.00 C ATOM 69 C GLN A 6 -7.737 -7.555 -5.251 1.00 0.00 C ATOM 70 O GLN A 6 -6.820 -8.322 -5.469 1.00 0.00 O ATOM 71 CB GLN A 6 -8.488 -5.559 -6.546 1.00 0.00 C ATOM 72 CG GLN A 6 -7.341 -5.271 -7.517 1.00 0.00 C ATOM 73 CD GLN A 6 -7.787 -4.221 -8.535 1.00 0.00 C ATOM 74 OE1 GLN A 6 -8.299 -3.181 -8.168 1.00 0.00 O ATOM 75 NE2 GLN A 6 -7.616 -4.448 -9.809 1.00 0.00 N ATOM 0 H GLN A 6 -10.693 -6.564 -6.039 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.382 -7.578 -7.305 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.414 -5.122 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.285 -5.096 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.468 -4.915 -6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.045 -6.187 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.187 -5.320 -10.119 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.912 -3.753 -10.495 1.00 0.00 H new ATOM 84 N GLN A 7 -7.974 -7.111 -4.046 1.00 0.00 N ATOM 85 CA GLN A 7 -7.112 -7.541 -2.908 1.00 0.00 C ATOM 86 C GLN A 7 -7.517 -8.945 -2.450 1.00 0.00 C ATOM 87 O GLN A 7 -6.968 -9.481 -1.507 1.00 0.00 O ATOM 88 CB GLN A 7 -7.274 -6.561 -1.744 1.00 0.00 C ATOM 89 CG GLN A 7 -8.683 -6.687 -1.163 1.00 0.00 C ATOM 90 CD GLN A 7 -9.270 -5.293 -0.938 1.00 0.00 C ATOM 91 OE1 GLN A 7 -8.609 -4.299 -1.163 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.494 -5.177 -0.499 1.00 0.00 N ATOM 0 H GLN A 7 -8.728 -6.469 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.072 -7.554 -3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -6.532 -6.769 -0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.100 -5.541 -2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.318 -7.255 -1.843 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.652 -7.236 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.049 -6.011 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.895 -4.252 -0.345 1.00 0.00 H new ATOM 101 N ALA A 8 -8.470 -9.547 -3.107 1.00 0.00 N ATOM 102 CA ALA A 8 -8.900 -10.915 -2.701 1.00 0.00 C ATOM 103 C ALA A 8 -7.791 -11.916 -3.032 1.00 0.00 C ATOM 104 O ALA A 8 -7.390 -12.707 -2.201 1.00 0.00 O ATOM 105 CB ALA A 8 -10.173 -11.299 -3.456 1.00 0.00 C ATOM 0 H ALA A 8 -8.968 -9.152 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.097 -10.929 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.485 -12.300 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.964 -10.587 -3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.978 -11.285 -4.528 1.00 0.00 H new ATOM 111 N GLU A 9 -7.294 -11.891 -4.238 1.00 0.00 N ATOM 112 CA GLU A 9 -6.212 -12.844 -4.618 1.00 0.00 C ATOM 113 C GLU A 9 -4.932 -12.483 -3.862 1.00 0.00 C ATOM 114 O GLU A 9 -4.025 -13.284 -3.742 1.00 0.00 O ATOM 115 CB GLU A 9 -5.960 -12.756 -6.126 1.00 0.00 C ATOM 116 CG GLU A 9 -5.512 -14.122 -6.649 1.00 0.00 C ATOM 117 CD GLU A 9 -6.480 -14.598 -7.734 1.00 0.00 C ATOM 118 OE1 GLU A 9 -7.673 -14.418 -7.557 1.00 0.00 O ATOM 119 OE2 GLU A 9 -6.011 -15.135 -8.724 1.00 0.00 O ATOM 0 H GLU A 9 -7.590 -11.253 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.512 -13.860 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.868 -12.438 -6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.197 -12.007 -6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.502 -14.055 -7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.482 -14.843 -5.832 1.00 0.00 H new ATOM 126 N ALA A 10 -4.849 -11.285 -3.351 1.00 0.00 N ATOM 127 CA ALA A 10 -3.626 -10.877 -2.603 1.00 0.00 C ATOM 128 C ALA A 10 -3.635 -11.527 -1.219 1.00 0.00 C ATOM 129 O ALA A 10 -2.743 -12.274 -0.867 1.00 0.00 O ATOM 130 CB ALA A 10 -3.604 -9.354 -2.453 1.00 0.00 C ATOM 0 H ALA A 10 -5.575 -10.571 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.740 -11.200 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.710 -9.055 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.597 -8.891 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.489 -9.029 -1.906 1.00 0.00 H new ATOM 136 N ARG A 11 -4.637 -11.250 -0.429 1.00 0.00 N ATOM 137 CA ARG A 11 -4.699 -11.855 0.931 1.00 0.00 C ATOM 138 C ARG A 11 -4.845 -13.372 0.805 1.00 0.00 C ATOM 139 O ARG A 11 -4.656 -14.105 1.756 1.00 0.00 O ATOM 140 CB ARG A 11 -5.903 -11.289 1.689 1.00 0.00 C ATOM 141 CG ARG A 11 -7.184 -11.583 0.906 1.00 0.00 C ATOM 142 CD ARG A 11 -8.370 -11.647 1.869 1.00 0.00 C ATOM 143 NE ARG A 11 -9.488 -12.398 1.231 1.00 0.00 N ATOM 144 CZ ARG A 11 -10.719 -12.182 1.609 1.00 0.00 C ATOM 145 NH1 ARG A 11 -11.299 -11.048 1.327 1.00 0.00 N ATOM 146 NH2 ARG A 11 -11.368 -13.102 2.269 1.00 0.00 N ATOM 0 H ARG A 11 -5.413 -10.632 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.785 -11.620 1.475 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.962 -11.733 2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.787 -10.214 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.351 -10.808 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.086 -12.527 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.073 -12.135 2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.696 -10.640 2.129 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.292 -13.081 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.791 -10.330 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.261 -10.880 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.914 -13.988 2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.330 -12.935 2.565 1.00 0.00 H new ATOM 160 N ALA A 12 -5.180 -13.850 -0.363 1.00 0.00 N ATOM 161 CA ALA A 12 -5.337 -15.320 -0.549 1.00 0.00 C ATOM 162 C ALA A 12 -4.051 -16.031 -0.123 1.00 0.00 C ATOM 163 O ALA A 12 -4.083 -17.086 0.479 1.00 0.00 O ATOM 164 CB ALA A 12 -5.623 -15.619 -2.022 1.00 0.00 C ATOM 0 H ALA A 12 -5.351 -13.286 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.166 -15.677 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.738 -16.694 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.541 -15.114 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.794 -15.262 -2.633 1.00 0.00 H new ATOM 170 N PHE A 13 -2.914 -15.463 -0.428 1.00 0.00 N ATOM 171 CA PHE A 13 -1.631 -16.112 -0.036 1.00 0.00 C ATOM 172 C PHE A 13 -1.240 -15.656 1.371 1.00 0.00 C ATOM 173 O PHE A 13 -0.640 -16.394 2.129 1.00 0.00 O ATOM 174 CB PHE A 13 -0.526 -15.715 -1.020 1.00 0.00 C ATOM 175 CG PHE A 13 -1.123 -15.489 -2.388 1.00 0.00 C ATOM 176 CD1 PHE A 13 -2.154 -16.317 -2.846 1.00 0.00 C ATOM 177 CD2 PHE A 13 -0.643 -14.453 -3.197 1.00 0.00 C ATOM 178 CE1 PHE A 13 -2.708 -16.107 -4.114 1.00 0.00 C ATOM 179 CE2 PHE A 13 -1.197 -14.244 -4.466 1.00 0.00 C ATOM 180 CZ PHE A 13 -2.229 -15.071 -4.924 1.00 0.00 C ATOM 0 H PHE A 13 -2.819 -14.580 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.757 -17.195 -0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.027 -14.809 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.231 -16.498 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.522 -17.118 -2.221 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.154 -13.815 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.505 -16.744 -4.467 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.828 -13.445 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.656 -14.910 -5.903 1.00 0.00 H new ATOM 190 N LEU A 14 -1.574 -14.445 1.728 1.00 0.00 N ATOM 191 CA LEU A 14 -1.220 -13.945 3.087 1.00 0.00 C ATOM 192 C LEU A 14 -2.228 -14.479 4.106 1.00 0.00 C ATOM 193 O LEU A 14 -3.143 -13.789 4.506 1.00 0.00 O ATOM 194 CB LEU A 14 -1.254 -12.415 3.094 1.00 0.00 C ATOM 195 CG LEU A 14 -0.585 -11.880 1.828 1.00 0.00 C ATOM 196 CD1 LEU A 14 -0.556 -10.351 1.869 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.846 -12.416 1.745 1.00 0.00 C ATOM 0 H LEU A 14 -2.076 -13.781 1.138 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.219 -14.288 3.349 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.285 -12.065 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.741 -12.034 3.977 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.149 -12.207 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.079 -9.972 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.575 -9.969 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.007 -10.021 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.325 -12.036 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.408 -12.089 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.825 -13.505 1.713 1.00 0.00 H new ATOM 209 N SER A 15 -2.066 -15.703 4.531 1.00 0.00 N ATOM 210 CA SER A 15 -3.016 -16.277 5.526 1.00 0.00 C ATOM 211 C SER A 15 -3.295 -15.241 6.617 1.00 0.00 C ATOM 212 O SER A 15 -2.539 -14.309 6.809 1.00 0.00 O ATOM 213 CB SER A 15 -2.405 -17.529 6.156 1.00 0.00 C ATOM 214 OG SER A 15 -1.111 -17.221 6.658 1.00 0.00 O ATOM 0 H SER A 15 -1.318 -16.329 4.233 1.00 0.00 H new ATOM 0 HA SER A 15 -3.948 -16.542 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.043 -17.892 6.962 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.340 -18.327 5.416 1.00 0.00 H new ATOM 0 HG SER A 15 -0.718 -18.022 7.064 1.00 0.00 H new ATOM 220 N GLU A 16 -4.376 -15.393 7.330 1.00 0.00 N ATOM 221 CA GLU A 16 -4.703 -14.414 8.404 1.00 0.00 C ATOM 222 C GLU A 16 -3.496 -14.242 9.330 1.00 0.00 C ATOM 223 O GLU A 16 -3.376 -13.257 10.030 1.00 0.00 O ATOM 224 CB GLU A 16 -5.896 -14.926 9.212 1.00 0.00 C ATOM 225 CG GLU A 16 -6.922 -13.802 9.372 1.00 0.00 C ATOM 226 CD GLU A 16 -7.513 -13.456 8.003 1.00 0.00 C ATOM 227 OE1 GLU A 16 -7.937 -14.370 7.315 1.00 0.00 O ATOM 228 OE2 GLU A 16 -7.532 -12.284 7.667 1.00 0.00 O ATOM 0 H GLU A 16 -5.047 -16.153 7.216 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.952 -13.453 7.954 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.351 -15.779 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.564 -15.273 10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.713 -14.111 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.449 -12.923 9.809 1.00 0.00 H new ATOM 235 N GLU A 17 -2.602 -15.192 9.341 1.00 0.00 N ATOM 236 CA GLU A 17 -1.407 -15.079 10.225 1.00 0.00 C ATOM 237 C GLU A 17 -0.449 -14.025 9.666 1.00 0.00 C ATOM 238 O GLU A 17 0.114 -13.234 10.397 1.00 0.00 O ATOM 239 CB GLU A 17 -0.693 -16.430 10.289 1.00 0.00 C ATOM 240 CG GLU A 17 -0.363 -16.764 11.745 1.00 0.00 C ATOM 241 CD GLU A 17 -1.604 -17.337 12.431 1.00 0.00 C ATOM 242 OE1 GLU A 17 -2.094 -18.354 11.969 1.00 0.00 O ATOM 243 OE2 GLU A 17 -2.043 -16.748 13.404 1.00 0.00 O ATOM 0 H GLU A 17 -2.647 -16.041 8.777 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.725 -14.784 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.325 -17.208 9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.221 -16.399 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.454 -17.484 11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.027 -15.868 12.267 1.00 0.00 H new ATOM 250 N MET A 18 -0.257 -14.007 8.376 1.00 0.00 N ATOM 251 CA MET A 18 0.669 -13.004 7.772 1.00 0.00 C ATOM 252 C MET A 18 0.154 -11.591 8.058 1.00 0.00 C ATOM 253 O MET A 18 0.837 -10.781 8.652 1.00 0.00 O ATOM 254 CB MET A 18 0.741 -13.222 6.259 1.00 0.00 C ATOM 255 CG MET A 18 2.017 -13.991 5.911 1.00 0.00 C ATOM 256 SD MET A 18 1.608 -15.376 4.822 1.00 0.00 S ATOM 257 CE MET A 18 2.879 -15.068 3.572 1.00 0.00 C ATOM 0 H MET A 18 -0.700 -14.643 7.713 1.00 0.00 H new ATOM 0 HA MET A 18 1.662 -13.123 8.206 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.134 -13.777 5.919 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.730 -12.262 5.742 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.732 -13.329 5.422 1.00 0.00 H new ATOM 0 HG3 MET A 18 2.493 -14.358 6.820 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.808 -15.822 2.788 1.00 0.00 H new ATOM 0 HE2 MET A 18 2.731 -14.079 3.139 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.864 -15.118 4.035 1.00 0.00 H new ATOM 267 N ILE A 19 -1.043 -11.288 7.636 1.00 0.00 N ATOM 268 CA ILE A 19 -1.599 -9.925 7.878 1.00 0.00 C ATOM 269 C ILE A 19 -1.567 -9.609 9.374 1.00 0.00 C ATOM 270 O ILE A 19 -1.277 -8.501 9.777 1.00 0.00 O ATOM 271 CB ILE A 19 -3.046 -9.871 7.380 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.115 -10.424 5.955 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.538 -8.423 7.390 1.00 0.00 C ATOM 274 CD1 ILE A 19 -4.063 -11.624 5.918 1.00 0.00 C ATOM 0 H ILE A 19 -1.661 -11.925 7.134 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.997 -9.191 7.342 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.677 -10.472 8.035 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.463 -9.651 5.270 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.121 -10.722 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.568 -8.386 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.490 -8.029 8.405 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.908 -7.820 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.112 -12.018 4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.695 -12.399 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.058 -11.311 6.234 1.00 0.00 H new ATOM 286 N ALA A 20 -1.868 -10.571 10.199 1.00 0.00 N ATOM 287 CA ALA A 20 -1.863 -10.323 11.668 1.00 0.00 C ATOM 288 C ALA A 20 -0.510 -9.746 12.094 1.00 0.00 C ATOM 289 O ALA A 20 -0.427 -8.951 13.010 1.00 0.00 O ATOM 290 CB ALA A 20 -2.109 -11.640 12.405 1.00 0.00 C ATOM 0 H ALA A 20 -2.118 -11.520 9.920 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.650 -9.611 11.915 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.106 -11.461 13.480 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.075 -12.048 12.108 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.322 -12.351 12.153 1.00 0.00 H new ATOM 296 N GLU A 21 0.549 -10.139 11.445 1.00 0.00 N ATOM 297 CA GLU A 21 1.891 -9.612 11.822 1.00 0.00 C ATOM 298 C GLU A 21 2.194 -8.344 11.022 1.00 0.00 C ATOM 299 O GLU A 21 3.032 -7.548 11.400 1.00 0.00 O ATOM 300 CB GLU A 21 2.956 -10.669 11.523 1.00 0.00 C ATOM 301 CG GLU A 21 4.302 -10.208 12.084 1.00 0.00 C ATOM 302 CD GLU A 21 5.431 -10.717 11.187 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.130 -11.207 10.111 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.578 -10.609 11.590 1.00 0.00 O ATOM 0 H GLU A 21 0.545 -10.802 10.670 1.00 0.00 H new ATOM 0 HA GLU A 21 1.898 -9.376 12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.672 -11.623 11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.033 -10.829 10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.331 -9.120 12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.433 -10.583 13.099 1.00 0.00 H new ATOM 311 N PHE A 22 1.526 -8.147 9.919 1.00 0.00 N ATOM 312 CA PHE A 22 1.788 -6.928 9.102 1.00 0.00 C ATOM 313 C PHE A 22 1.085 -5.725 9.733 1.00 0.00 C ATOM 314 O PHE A 22 1.483 -4.593 9.540 1.00 0.00 O ATOM 315 CB PHE A 22 1.266 -7.141 7.680 1.00 0.00 C ATOM 316 CG PHE A 22 2.434 -7.361 6.747 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.042 -6.269 6.117 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.909 -8.657 6.516 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.126 -6.474 5.255 1.00 0.00 C ATOM 320 CE2 PHE A 22 3.992 -8.862 5.655 1.00 0.00 C ATOM 321 CZ PHE A 22 4.602 -7.770 5.024 1.00 0.00 C ATOM 0 H PHE A 22 0.812 -8.775 9.549 1.00 0.00 H new ATOM 0 HA PHE A 22 2.861 -6.741 9.068 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.596 -8.000 7.651 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.688 -6.275 7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.675 -5.269 6.296 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.439 -9.499 7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.595 -5.632 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.358 -9.862 5.477 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.439 -7.928 4.360 1.00 0.00 H new ATOM 331 N LYS A 23 0.045 -5.956 10.488 1.00 0.00 N ATOM 332 CA LYS A 23 -0.671 -4.816 11.126 1.00 0.00 C ATOM 333 C LYS A 23 0.329 -3.983 11.930 1.00 0.00 C ATOM 334 O LYS A 23 0.124 -2.809 12.166 1.00 0.00 O ATOM 335 CB LYS A 23 -1.767 -5.348 12.053 1.00 0.00 C ATOM 336 CG LYS A 23 -1.132 -5.993 13.286 1.00 0.00 C ATOM 337 CD LYS A 23 -2.172 -6.857 14.003 1.00 0.00 C ATOM 338 CE LYS A 23 -2.750 -6.084 15.190 1.00 0.00 C ATOM 339 NZ LYS A 23 -4.153 -6.526 15.434 1.00 0.00 N ATOM 0 H LYS A 23 -0.338 -6.880 10.689 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.129 -4.194 10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.427 -4.535 12.355 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.381 -6.077 11.525 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.278 -6.603 12.991 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.757 -5.223 13.960 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.969 -7.133 13.313 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.714 -7.784 14.348 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.143 -6.255 16.079 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.724 -5.013 14.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.547 -6.001 16.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.727 -6.341 14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.164 -7.544 15.645 1.00 0.00 H new ATOM 353 N ALA A 24 1.412 -4.580 12.348 1.00 0.00 N ATOM 354 CA ALA A 24 2.427 -3.819 13.128 1.00 0.00 C ATOM 355 C ALA A 24 3.103 -2.799 12.211 1.00 0.00 C ATOM 356 O ALA A 24 3.298 -1.656 12.572 1.00 0.00 O ATOM 357 CB ALA A 24 3.478 -4.784 13.681 1.00 0.00 C ATOM 0 H ALA A 24 1.637 -5.561 12.183 1.00 0.00 H new ATOM 0 HA ALA A 24 1.941 -3.303 13.956 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.220 -4.226 14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.995 -5.514 14.330 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.968 -5.300 12.856 1.00 0.00 H new ATOM 363 N ALA A 25 3.456 -3.204 11.021 1.00 0.00 N ATOM 364 CA ALA A 25 4.112 -2.259 10.075 1.00 0.00 C ATOM 365 C ALA A 25 3.051 -1.346 9.459 1.00 0.00 C ATOM 366 O ALA A 25 3.359 -0.351 8.835 1.00 0.00 O ATOM 367 CB ALA A 25 4.813 -3.049 8.967 1.00 0.00 C ATOM 0 H ALA A 25 3.318 -4.149 10.664 1.00 0.00 H new ATOM 0 HA ALA A 25 4.847 -1.657 10.609 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.293 -2.357 8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.566 -3.703 9.407 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.080 -3.650 8.429 1.00 0.00 H new ATOM 373 N PHE A 26 1.800 -1.678 9.633 1.00 0.00 N ATOM 374 CA PHE A 26 0.717 -0.831 9.062 1.00 0.00 C ATOM 375 C PHE A 26 0.868 0.601 9.579 1.00 0.00 C ATOM 376 O PHE A 26 0.516 1.553 8.912 1.00 0.00 O ATOM 377 CB PHE A 26 -0.642 -1.389 9.487 1.00 0.00 C ATOM 378 CG PHE A 26 -1.733 -0.425 9.084 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.747 0.114 7.791 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.728 -0.071 10.000 1.00 0.00 C ATOM 381 CE1 PHE A 26 -2.757 1.008 7.417 1.00 0.00 C ATOM 382 CE2 PHE A 26 -3.739 0.822 9.626 1.00 0.00 C ATOM 383 CZ PHE A 26 -3.753 1.362 8.335 1.00 0.00 C ATOM 0 H PHE A 26 1.482 -2.500 10.147 1.00 0.00 H new ATOM 0 HA PHE A 26 0.785 -0.833 7.974 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.810 -2.360 9.021 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.661 -1.546 10.566 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.979 -0.160 7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.717 -0.487 10.997 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.768 1.425 6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.508 1.094 10.334 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.532 2.052 8.047 1.00 0.00 H new ATOM 393 N ASP A 27 1.391 0.759 10.764 1.00 0.00 N ATOM 394 CA ASP A 27 1.566 2.129 11.325 1.00 0.00 C ATOM 395 C ASP A 27 2.910 2.699 10.865 1.00 0.00 C ATOM 396 O ASP A 27 3.109 3.897 10.834 1.00 0.00 O ATOM 397 CB ASP A 27 1.537 2.062 12.854 1.00 0.00 C ATOM 398 CG ASP A 27 0.225 1.421 13.313 1.00 0.00 C ATOM 399 OD1 ASP A 27 -0.506 0.942 12.463 1.00 0.00 O ATOM 400 OD2 ASP A 27 -0.024 1.420 14.508 1.00 0.00 O ATOM 0 H ASP A 27 1.705 -0.001 11.368 1.00 0.00 H new ATOM 0 HA ASP A 27 0.758 2.772 10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.385 1.482 13.219 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.631 3.063 13.274 1.00 0.00 H new ATOM 405 N MET A 28 3.835 1.850 10.505 1.00 0.00 N ATOM 406 CA MET A 28 5.164 2.345 10.048 1.00 0.00 C ATOM 407 C MET A 28 4.989 3.194 8.786 1.00 0.00 C ATOM 408 O MET A 28 5.652 4.195 8.605 1.00 0.00 O ATOM 409 CB MET A 28 6.072 1.153 9.739 1.00 0.00 C ATOM 410 CG MET A 28 7.157 1.046 10.812 1.00 0.00 C ATOM 411 SD MET A 28 6.628 -0.122 12.091 1.00 0.00 S ATOM 412 CE MET A 28 8.275 -0.518 12.731 1.00 0.00 C ATOM 0 H MET A 28 3.727 0.836 10.508 1.00 0.00 H new ATOM 0 HA MET A 28 5.614 2.952 10.833 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.486 0.235 9.707 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.528 1.275 8.757 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.094 0.713 10.365 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.345 2.025 11.253 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.186 -1.237 13.545 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.882 -0.946 11.933 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.750 0.391 13.100 1.00 0.00 H new ATOM 422 N PHE A 29 4.102 2.802 7.912 1.00 0.00 N ATOM 423 CA PHE A 29 3.889 3.588 6.664 1.00 0.00 C ATOM 424 C PHE A 29 3.377 4.984 7.022 1.00 0.00 C ATOM 425 O PHE A 29 4.045 5.975 6.803 1.00 0.00 O ATOM 426 CB PHE A 29 2.859 2.880 5.784 1.00 0.00 C ATOM 427 CG PHE A 29 3.451 1.598 5.249 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.460 1.644 4.278 1.00 0.00 C ATOM 429 CD2 PHE A 29 2.992 0.364 5.722 1.00 0.00 C ATOM 430 CE1 PHE A 29 5.008 0.455 3.781 1.00 0.00 C ATOM 431 CE2 PHE A 29 3.540 -0.824 5.226 1.00 0.00 C ATOM 432 CZ PHE A 29 4.548 -0.778 4.256 1.00 0.00 C ATOM 0 H PHE A 29 3.516 1.972 8.008 1.00 0.00 H new ATOM 0 HA PHE A 29 4.832 3.673 6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.959 2.665 6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.562 3.528 4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.815 2.596 3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.214 0.328 6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.785 0.490 3.032 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.185 -1.776 5.592 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.971 -1.695 3.874 1.00 0.00 H new ATOM 442 N ASP A 30 2.196 5.072 7.570 1.00 0.00 N ATOM 443 CA ASP A 30 1.644 6.406 7.940 1.00 0.00 C ATOM 444 C ASP A 30 2.624 7.121 8.875 1.00 0.00 C ATOM 445 O ASP A 30 3.776 6.753 8.981 1.00 0.00 O ATOM 446 CB ASP A 30 0.300 6.225 8.647 1.00 0.00 C ATOM 447 CG ASP A 30 -0.499 5.122 7.950 1.00 0.00 C ATOM 448 OD1 ASP A 30 -0.205 4.841 6.800 1.00 0.00 O ATOM 449 OD2 ASP A 30 -1.391 4.575 8.578 1.00 0.00 O ATOM 0 H ASP A 30 1.590 4.278 7.777 1.00 0.00 H new ATOM 0 HA ASP A 30 1.500 7.003 7.039 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.460 5.967 9.694 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.260 7.160 8.631 1.00 0.00 H new ATOM 454 N ALA A 31 2.175 8.142 9.554 1.00 0.00 N ATOM 455 CA ALA A 31 3.083 8.878 10.478 1.00 0.00 C ATOM 456 C ALA A 31 3.041 8.228 11.864 1.00 0.00 C ATOM 457 O ALA A 31 3.870 7.405 12.198 1.00 0.00 O ATOM 458 CB ALA A 31 2.631 10.336 10.584 1.00 0.00 C ATOM 0 H ALA A 31 1.220 8.497 9.509 1.00 0.00 H new ATOM 0 HA ALA A 31 4.101 8.840 10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.295 10.875 11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.663 10.799 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.612 10.374 10.970 1.00 0.00 H new ATOM 464 N ASP A 32 2.085 8.593 12.673 1.00 0.00 N ATOM 465 CA ASP A 32 1.995 7.994 14.035 1.00 0.00 C ATOM 466 C ASP A 32 0.555 7.549 14.304 1.00 0.00 C ATOM 467 O ASP A 32 -0.007 7.826 15.345 1.00 0.00 O ATOM 468 CB ASP A 32 2.412 9.034 15.077 1.00 0.00 C ATOM 469 CG ASP A 32 1.621 10.324 14.858 1.00 0.00 C ATOM 470 OD1 ASP A 32 0.419 10.302 15.070 1.00 0.00 O ATOM 471 OD2 ASP A 32 2.228 11.312 14.482 1.00 0.00 O ATOM 0 H ASP A 32 1.363 9.279 12.451 1.00 0.00 H new ATOM 0 HA ASP A 32 2.658 7.131 14.097 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.231 8.650 16.081 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.481 9.233 15.000 1.00 0.00 H new ATOM 476 N GLY A 33 -0.046 6.860 13.373 1.00 0.00 N ATOM 477 CA GLY A 33 -1.448 6.396 13.576 1.00 0.00 C ATOM 478 C GLY A 33 -2.392 7.212 12.692 1.00 0.00 C ATOM 479 O GLY A 33 -3.477 7.576 13.097 1.00 0.00 O ATOM 0 H GLY A 33 0.373 6.598 12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.530 5.337 13.332 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.730 6.505 14.623 1.00 0.00 H new ATOM 483 N GLY A 34 -1.989 7.503 11.485 1.00 0.00 N ATOM 484 CA GLY A 34 -2.866 8.296 10.577 1.00 0.00 C ATOM 485 C GLY A 34 -3.998 7.410 10.055 1.00 0.00 C ATOM 486 O GLY A 34 -5.010 7.892 9.585 1.00 0.00 O ATOM 0 H GLY A 34 -1.091 7.226 11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.278 9.153 11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.284 8.688 9.743 1.00 0.00 H new ATOM 490 N GLY A 35 -3.838 6.117 10.132 1.00 0.00 N ATOM 491 CA GLY A 35 -4.908 5.204 9.638 1.00 0.00 C ATOM 492 C GLY A 35 -5.036 5.343 8.120 1.00 0.00 C ATOM 493 O GLY A 35 -6.111 5.230 7.564 1.00 0.00 O ATOM 0 H GLY A 35 -3.014 5.654 10.515 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.671 4.173 9.901 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.857 5.445 10.117 1.00 0.00 H new ATOM 497 N ASP A 36 -3.946 5.587 7.444 1.00 0.00 N ATOM 498 CA ASP A 36 -4.002 5.734 5.963 1.00 0.00 C ATOM 499 C ASP A 36 -2.596 6.013 5.424 1.00 0.00 C ATOM 500 O ASP A 36 -1.756 6.567 6.105 1.00 0.00 O ATOM 501 CB ASP A 36 -4.931 6.893 5.595 1.00 0.00 C ATOM 502 CG ASP A 36 -6.302 6.342 5.197 1.00 0.00 C ATOM 503 OD1 ASP A 36 -6.340 5.433 4.385 1.00 0.00 O ATOM 504 OD2 ASP A 36 -7.290 6.840 5.711 1.00 0.00 O ATOM 0 H ASP A 36 -3.018 5.691 7.855 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.384 4.813 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.032 7.574 6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.505 7.467 4.772 1.00 0.00 H new ATOM 509 N ILE A 37 -2.338 5.630 4.205 1.00 0.00 N ATOM 510 CA ILE A 37 -0.992 5.862 3.607 1.00 0.00 C ATOM 511 C ILE A 37 -1.036 7.094 2.697 1.00 0.00 C ATOM 512 O ILE A 37 -0.010 7.615 2.316 1.00 0.00 O ATOM 513 CB ILE A 37 -0.566 4.635 2.802 1.00 0.00 C ATOM 514 CG1 ILE A 37 -0.874 3.371 3.609 1.00 0.00 C ATOM 515 CG2 ILE A 37 0.936 4.708 2.529 1.00 0.00 C ATOM 516 CD1 ILE A 37 -1.661 2.387 2.742 1.00 0.00 C ATOM 0 H ILE A 37 -3.006 5.163 3.592 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.269 6.033 4.404 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.109 4.608 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.053 2.910 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.449 3.627 4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.244 3.834 1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.159 5.612 1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.477 4.730 3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.879 1.488 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.595 2.849 2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.070 2.121 1.865 1.00 0.00 H new ATOM 528 N SER A 38 -2.227 7.523 2.336 1.00 0.00 N ATOM 529 CA SER A 38 -2.426 8.713 1.433 1.00 0.00 C ATOM 530 C SER A 38 -1.163 9.573 1.302 1.00 0.00 C ATOM 531 O SER A 38 -0.454 9.806 2.260 1.00 0.00 O ATOM 532 CB SER A 38 -3.548 9.584 1.998 1.00 0.00 C ATOM 533 OG SER A 38 -4.031 9.007 3.203 1.00 0.00 O ATOM 0 H SER A 38 -3.097 7.085 2.639 1.00 0.00 H new ATOM 0 HA SER A 38 -2.674 8.331 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.181 10.593 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.357 9.670 1.273 1.00 0.00 H new ATOM 0 HG SER A 38 -4.749 9.565 3.568 1.00 0.00 H new ATOM 539 N THR A 39 -0.903 10.051 0.108 1.00 0.00 N ATOM 540 CA THR A 39 0.295 10.910 -0.149 1.00 0.00 C ATOM 541 C THR A 39 0.655 11.731 1.091 1.00 0.00 C ATOM 542 O THR A 39 1.814 11.958 1.376 1.00 0.00 O ATOM 543 CB THR A 39 -0.011 11.860 -1.310 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.990 12.806 -0.900 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.539 11.060 -2.502 1.00 0.00 C ATOM 0 H THR A 39 -1.482 9.878 -0.714 1.00 0.00 H new ATOM 0 HA THR A 39 1.139 10.267 -0.396 1.00 0.00 H new ATOM 0 HB THR A 39 0.900 12.382 -1.602 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.186 13.416 -1.641 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.756 11.738 -3.328 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.213 10.336 -2.816 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.450 10.536 -2.214 1.00 0.00 H new ATOM 553 N LYS A 40 -0.322 12.174 1.833 1.00 0.00 N ATOM 554 CA LYS A 40 -0.022 12.973 3.053 1.00 0.00 C ATOM 555 C LYS A 40 1.133 12.317 3.816 1.00 0.00 C ATOM 556 O LYS A 40 2.195 12.886 3.963 1.00 0.00 O ATOM 557 CB LYS A 40 -1.263 13.024 3.946 1.00 0.00 C ATOM 558 CG LYS A 40 -1.100 14.139 4.982 1.00 0.00 C ATOM 559 CD LYS A 40 -2.477 14.570 5.489 1.00 0.00 C ATOM 560 CE LYS A 40 -3.055 13.479 6.393 1.00 0.00 C ATOM 561 NZ LYS A 40 -4.517 13.706 6.571 1.00 0.00 N ATOM 0 H LYS A 40 -1.313 12.018 1.648 1.00 0.00 H new ATOM 0 HA LYS A 40 0.260 13.987 2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.152 13.202 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.404 12.066 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.487 13.791 5.813 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.582 14.989 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.396 15.507 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.145 14.751 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.879 12.497 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.554 13.490 7.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.911 12.965 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.673 14.637 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.989 13.675 5.645 1.00 0.00 H new ATOM 575 N GLU A 41 0.933 11.120 4.300 1.00 0.00 N ATOM 576 CA GLU A 41 2.019 10.424 5.049 1.00 0.00 C ATOM 577 C GLU A 41 2.868 9.598 4.078 1.00 0.00 C ATOM 578 O GLU A 41 3.899 9.067 4.440 1.00 0.00 O ATOM 579 CB GLU A 41 1.400 9.499 6.100 1.00 0.00 C ATOM 580 CG GLU A 41 0.620 10.333 7.118 1.00 0.00 C ATOM 581 CD GLU A 41 -0.793 9.768 7.272 1.00 0.00 C ATOM 582 OE1 GLU A 41 -1.175 8.945 6.456 1.00 0.00 O ATOM 583 OE2 GLU A 41 -1.471 10.169 8.204 1.00 0.00 O ATOM 0 H GLU A 41 0.064 10.594 4.209 1.00 0.00 H new ATOM 0 HA GLU A 41 2.651 11.164 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.738 8.778 5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.181 8.929 6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.133 10.323 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.573 11.372 6.792 1.00 0.00 H new ATOM 590 N LEU A 42 2.444 9.484 2.848 1.00 0.00 N ATOM 591 CA LEU A 42 3.231 8.692 1.860 1.00 0.00 C ATOM 592 C LEU A 42 4.519 9.439 1.517 1.00 0.00 C ATOM 593 O LEU A 42 5.502 8.847 1.127 1.00 0.00 O ATOM 594 CB LEU A 42 2.410 8.489 0.587 1.00 0.00 C ATOM 595 CG LEU A 42 2.758 7.137 -0.035 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.544 6.593 -0.791 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.929 7.310 -1.004 1.00 0.00 C ATOM 0 H LEU A 42 1.588 9.904 2.485 1.00 0.00 H new ATOM 0 HA LEU A 42 3.474 7.721 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.346 8.532 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.615 9.291 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 42 3.037 6.436 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.793 5.629 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.710 6.470 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.262 7.292 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.179 6.347 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.650 8.011 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.794 7.696 -0.464 1.00 0.00 H new ATOM 609 N GLY A 43 4.524 10.736 1.660 1.00 0.00 N ATOM 610 CA GLY A 43 5.757 11.511 1.344 1.00 0.00 C ATOM 611 C GLY A 43 6.835 11.166 2.367 1.00 0.00 C ATOM 612 O GLY A 43 8.009 11.127 2.059 1.00 0.00 O ATOM 0 H GLY A 43 3.731 11.291 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.103 11.274 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.546 12.580 1.365 1.00 0.00 H new ATOM 616 N THR A 44 6.444 10.913 3.584 1.00 0.00 N ATOM 617 CA THR A 44 7.440 10.568 4.634 1.00 0.00 C ATOM 618 C THR A 44 7.997 9.168 4.368 1.00 0.00 C ATOM 619 O THR A 44 9.193 8.954 4.385 1.00 0.00 O ATOM 620 CB THR A 44 6.757 10.600 6.004 1.00 0.00 C ATOM 621 OG1 THR A 44 6.048 9.385 6.206 1.00 0.00 O ATOM 622 CG2 THR A 44 5.783 11.777 6.062 1.00 0.00 C ATOM 0 H THR A 44 5.473 10.931 3.897 1.00 0.00 H new ATOM 0 HA THR A 44 8.258 11.289 4.618 1.00 0.00 H new ATOM 0 HB THR A 44 7.510 10.716 6.784 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.290 9.342 5.586 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.297 11.799 7.037 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.328 12.708 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.029 11.664 5.283 1.00 0.00 H new ATOM 630 N VAL A 45 7.143 8.212 4.121 1.00 0.00 N ATOM 631 CA VAL A 45 7.633 6.830 3.851 1.00 0.00 C ATOM 632 C VAL A 45 8.577 6.856 2.648 1.00 0.00 C ATOM 633 O VAL A 45 9.674 6.336 2.694 1.00 0.00 O ATOM 634 CB VAL A 45 6.446 5.915 3.545 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.905 4.456 3.573 1.00 0.00 C ATOM 636 CG2 VAL A 45 5.356 6.125 4.598 1.00 0.00 C ATOM 0 H VAL A 45 6.130 8.328 4.094 1.00 0.00 H new ATOM 0 HA VAL A 45 8.163 6.454 4.726 1.00 0.00 H new ATOM 0 HB VAL A 45 6.050 6.153 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.059 3.804 3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.682 4.305 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.301 4.218 4.560 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.510 5.473 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.753 5.887 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.028 7.164 4.580 1.00 0.00 H new ATOM 646 N MET A 46 8.155 7.458 1.571 1.00 0.00 N ATOM 647 CA MET A 46 9.020 7.523 0.362 1.00 0.00 C ATOM 648 C MET A 46 10.242 8.393 0.658 1.00 0.00 C ATOM 649 O MET A 46 11.287 8.237 0.058 1.00 0.00 O ATOM 650 CB MET A 46 8.230 8.129 -0.798 1.00 0.00 C ATOM 651 CG MET A 46 8.382 7.242 -2.036 1.00 0.00 C ATOM 652 SD MET A 46 6.815 6.404 -2.376 1.00 0.00 S ATOM 653 CE MET A 46 6.869 5.249 -0.983 1.00 0.00 C ATOM 0 H MET A 46 7.245 7.909 1.477 1.00 0.00 H new ATOM 0 HA MET A 46 9.346 6.518 0.092 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.178 8.218 -0.528 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.591 9.135 -1.012 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.677 7.845 -2.894 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.172 6.508 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.067 4.518 -1.086 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.830 4.735 -0.974 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.742 5.798 -0.050 1.00 0.00 H new ATOM 663 N ARG A 47 10.124 9.308 1.583 1.00 0.00 N ATOM 664 CA ARG A 47 11.286 10.180 1.914 1.00 0.00 C ATOM 665 C ARG A 47 12.363 9.339 2.596 1.00 0.00 C ATOM 666 O ARG A 47 13.532 9.664 2.567 1.00 0.00 O ATOM 667 CB ARG A 47 10.845 11.301 2.855 1.00 0.00 C ATOM 668 CG ARG A 47 11.950 12.355 2.941 1.00 0.00 C ATOM 669 CD ARG A 47 12.597 12.306 4.326 1.00 0.00 C ATOM 670 NE ARG A 47 12.713 13.688 4.868 1.00 0.00 N ATOM 671 CZ ARG A 47 13.183 13.881 6.070 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.987 13.002 6.604 1.00 0.00 N ATOM 673 NH2 ARG A 47 12.849 14.951 6.739 1.00 0.00 N ATOM 0 H ARG A 47 9.276 9.488 2.121 1.00 0.00 H new ATOM 0 HA ARG A 47 11.682 10.619 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.922 11.754 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.634 10.898 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.700 12.174 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.536 13.346 2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.999 11.690 4.997 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.583 11.845 4.263 1.00 0.00 H new ATOM 0 HE ARG A 47 12.425 14.484 4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.247 12.165 6.082 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.355 13.152 7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.220 15.637 6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.217 15.101 7.678 1.00 0.00 H new ATOM 687 N MET A 48 11.975 8.254 3.207 1.00 0.00 N ATOM 688 CA MET A 48 12.971 7.385 3.889 1.00 0.00 C ATOM 689 C MET A 48 13.775 6.618 2.838 1.00 0.00 C ATOM 690 O MET A 48 14.738 5.944 3.148 1.00 0.00 O ATOM 691 CB MET A 48 12.241 6.395 4.798 1.00 0.00 C ATOM 692 CG MET A 48 11.136 7.126 5.562 1.00 0.00 C ATOM 693 SD MET A 48 11.386 6.904 7.341 1.00 0.00 S ATOM 694 CE MET A 48 10.491 5.339 7.495 1.00 0.00 C ATOM 0 H MET A 48 11.009 7.932 3.263 1.00 0.00 H new ATOM 0 HA MET A 48 13.645 7.998 4.487 1.00 0.00 H new ATOM 0 HB2 MET A 48 11.814 5.586 4.205 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.943 5.941 5.498 1.00 0.00 H new ATOM 0 HG2 MET A 48 11.146 8.187 5.312 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.160 6.739 5.270 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.516 5.006 8.533 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.456 5.480 7.184 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.961 4.587 6.861 1.00 0.00 H new ATOM 704 N LEU A 49 13.388 6.715 1.594 1.00 0.00 N ATOM 705 CA LEU A 49 14.129 5.992 0.524 1.00 0.00 C ATOM 706 C LEU A 49 15.325 6.835 0.074 1.00 0.00 C ATOM 707 O LEU A 49 16.441 6.626 0.507 1.00 0.00 O ATOM 708 CB LEU A 49 13.197 5.750 -0.664 1.00 0.00 C ATOM 709 CG LEU A 49 12.973 4.246 -0.834 1.00 0.00 C ATOM 710 CD1 LEU A 49 14.316 3.558 -1.081 1.00 0.00 C ATOM 711 CD2 LEU A 49 12.337 3.678 0.437 1.00 0.00 C ATOM 0 H LEU A 49 12.590 7.264 1.274 1.00 0.00 H new ATOM 0 HA LEU A 49 14.484 5.036 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.245 6.255 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 49 13.630 6.170 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 49 12.311 4.070 -1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.159 2.486 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.771 3.963 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.977 3.734 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.177 2.607 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.999 3.853 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.381 4.170 0.616 1.00 0.00 H new ATOM 723 N GLY A 50 15.105 7.789 -0.791 1.00 0.00 N ATOM 724 CA GLY A 50 16.235 8.641 -1.260 1.00 0.00 C ATOM 725 C GLY A 50 15.809 9.436 -2.496 1.00 0.00 C ATOM 726 O GLY A 50 16.503 9.471 -3.492 1.00 0.00 O ATOM 0 H GLY A 50 14.194 8.014 -1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.542 9.322 -0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.098 8.018 -1.497 1.00 0.00 H new ATOM 730 N GLN A 51 14.674 10.081 -2.441 1.00 0.00 N ATOM 731 CA GLN A 51 14.209 10.876 -3.609 1.00 0.00 C ATOM 732 C GLN A 51 13.391 12.039 -3.091 1.00 0.00 C ATOM 733 O GLN A 51 12.624 11.881 -2.162 1.00 0.00 O ATOM 734 CB GLN A 51 13.305 10.011 -4.481 1.00 0.00 C ATOM 735 CG GLN A 51 13.144 10.661 -5.855 1.00 0.00 C ATOM 736 CD GLN A 51 14.207 10.115 -6.809 1.00 0.00 C ATOM 737 OE1 GLN A 51 15.087 10.836 -7.236 1.00 0.00 O ATOM 738 NE2 GLN A 51 14.162 8.861 -7.164 1.00 0.00 N ATOM 0 H GLN A 51 14.049 10.090 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 51 15.064 11.223 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.731 9.013 -4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.331 9.893 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.148 10.459 -6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.239 11.743 -5.770 1.00 0.00 H new ATOM 0 HE21 GLN A 51 13.423 8.256 -6.806 1.00 0.00 H new ATOM 0 HE22 GLN A 51 14.865 8.485 -7.800 1.00 0.00 H new ATOM 747 N ASN A 52 13.501 13.209 -3.656 1.00 0.00 N ATOM 748 CA ASN A 52 12.654 14.282 -3.103 1.00 0.00 C ATOM 749 C ASN A 52 11.215 13.783 -3.228 1.00 0.00 C ATOM 750 O ASN A 52 10.801 13.378 -4.296 1.00 0.00 O ATOM 751 CB ASN A 52 12.827 15.562 -3.923 1.00 0.00 C ATOM 752 CG ASN A 52 14.295 15.990 -3.903 1.00 0.00 C ATOM 753 OD1 ASN A 52 14.984 15.790 -2.922 1.00 0.00 O ATOM 754 ND2 ASN A 52 14.806 16.574 -4.952 1.00 0.00 N ATOM 0 H ASN A 52 14.110 13.455 -4.437 1.00 0.00 H new ATOM 0 HA ASN A 52 12.918 14.508 -2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.500 15.395 -4.949 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.201 16.355 -3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.784 16.863 -4.949 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.227 16.742 -5.775 1.00 0.00 H new ATOM 761 N PRO A 53 10.493 13.820 -2.149 1.00 0.00 N ATOM 762 CA PRO A 53 9.100 13.374 -2.128 1.00 0.00 C ATOM 763 C PRO A 53 8.156 14.546 -2.407 1.00 0.00 C ATOM 764 O PRO A 53 7.502 15.056 -1.519 1.00 0.00 O ATOM 765 CB PRO A 53 8.943 12.861 -0.697 1.00 0.00 C ATOM 766 CG PRO A 53 10.023 13.584 0.150 1.00 0.00 C ATOM 767 CD PRO A 53 11.001 14.242 -0.836 1.00 0.00 C ATOM 0 HA PRO A 53 8.863 12.624 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.944 13.074 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.077 11.780 -0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.567 14.332 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.544 12.877 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.004 15.327 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.024 13.904 -0.673 1.00 0.00 H new ATOM 775 N THR A 54 8.079 14.972 -3.637 1.00 0.00 N ATOM 776 CA THR A 54 7.178 16.105 -3.980 1.00 0.00 C ATOM 777 C THR A 54 5.737 15.720 -3.661 1.00 0.00 C ATOM 778 O THR A 54 5.385 14.557 -3.650 1.00 0.00 O ATOM 779 CB THR A 54 7.290 16.406 -5.473 1.00 0.00 C ATOM 780 OG1 THR A 54 8.657 16.391 -5.860 1.00 0.00 O ATOM 781 CG2 THR A 54 6.690 17.780 -5.766 1.00 0.00 C ATOM 0 H THR A 54 8.603 14.583 -4.421 1.00 0.00 H new ATOM 0 HA THR A 54 7.464 16.984 -3.402 1.00 0.00 H new ATOM 0 HB THR A 54 6.746 15.647 -6.036 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.728 16.583 -6.818 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.771 17.993 -6.832 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.640 17.789 -5.473 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.230 18.541 -5.202 1.00 0.00 H new ATOM 789 N LYS A 55 4.895 16.683 -3.413 1.00 0.00 N ATOM 790 CA LYS A 55 3.477 16.358 -3.109 1.00 0.00 C ATOM 791 C LYS A 55 2.892 15.575 -4.280 1.00 0.00 C ATOM 792 O LYS A 55 2.000 14.765 -4.119 1.00 0.00 O ATOM 793 CB LYS A 55 2.682 17.650 -2.923 1.00 0.00 C ATOM 794 CG LYS A 55 1.242 17.315 -2.525 1.00 0.00 C ATOM 795 CD LYS A 55 1.248 16.282 -1.398 1.00 0.00 C ATOM 796 CE LYS A 55 0.024 16.496 -0.506 1.00 0.00 C ATOM 797 NZ LYS A 55 0.443 17.148 0.767 1.00 0.00 N ATOM 0 H LYS A 55 5.127 17.676 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 55 3.423 15.766 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.148 18.268 -2.155 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.689 18.229 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.724 18.218 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.697 16.926 -3.385 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.237 15.274 -1.813 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.161 16.375 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.710 17.117 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.458 15.541 -0.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.390 17.293 1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.128 16.540 1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.883 18.067 0.558 1.00 0.00 H new ATOM 811 N GLU A 56 3.391 15.811 -5.460 1.00 0.00 N ATOM 812 CA GLU A 56 2.871 15.083 -6.645 1.00 0.00 C ATOM 813 C GLU A 56 3.684 13.804 -6.847 1.00 0.00 C ATOM 814 O GLU A 56 3.240 12.867 -7.482 1.00 0.00 O ATOM 815 CB GLU A 56 2.992 15.970 -7.887 1.00 0.00 C ATOM 816 CG GLU A 56 2.150 15.378 -9.019 1.00 0.00 C ATOM 817 CD GLU A 56 3.030 15.156 -10.250 1.00 0.00 C ATOM 818 OE1 GLU A 56 3.476 16.138 -10.821 1.00 0.00 O ATOM 819 OE2 GLU A 56 3.245 14.008 -10.601 1.00 0.00 O ATOM 0 H GLU A 56 4.138 16.478 -5.653 1.00 0.00 H new ATOM 0 HA GLU A 56 1.823 14.829 -6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.655 16.981 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.035 16.043 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.707 14.434 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.327 16.050 -9.264 1.00 0.00 H new ATOM 826 N GLU A 57 4.874 13.758 -6.314 1.00 0.00 N ATOM 827 CA GLU A 57 5.715 12.541 -6.478 1.00 0.00 C ATOM 828 C GLU A 57 5.024 11.350 -5.809 1.00 0.00 C ATOM 829 O GLU A 57 5.073 10.238 -6.295 1.00 0.00 O ATOM 830 CB GLU A 57 7.080 12.770 -5.827 1.00 0.00 C ATOM 831 CG GLU A 57 8.174 12.183 -6.722 1.00 0.00 C ATOM 832 CD GLU A 57 7.798 10.753 -7.116 1.00 0.00 C ATOM 833 OE1 GLU A 57 8.103 9.852 -6.352 1.00 0.00 O ATOM 834 OE2 GLU A 57 7.210 10.585 -8.171 1.00 0.00 O ATOM 0 H GLU A 57 5.299 14.511 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 57 5.850 12.334 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.250 13.836 -5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.109 12.302 -4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.297 12.797 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.129 12.188 -6.197 1.00 0.00 H new ATOM 841 N LEU A 58 4.378 11.577 -4.697 1.00 0.00 N ATOM 842 CA LEU A 58 3.679 10.462 -3.997 1.00 0.00 C ATOM 843 C LEU A 58 2.321 10.217 -4.658 1.00 0.00 C ATOM 844 O LEU A 58 1.626 9.272 -4.342 1.00 0.00 O ATOM 845 CB LEU A 58 3.465 10.836 -2.527 1.00 0.00 C ATOM 846 CG LEU A 58 4.815 11.040 -1.835 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.787 9.931 -2.243 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.397 12.398 -2.238 1.00 0.00 C ATOM 0 H LEU A 58 4.304 12.487 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 58 4.285 9.558 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.871 11.747 -2.458 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.903 10.050 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 58 4.668 11.008 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.744 10.085 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.378 8.963 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.932 9.953 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.358 12.543 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.535 12.428 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.712 13.191 -1.938 1.00 0.00 H new ATOM 860 N ASP A 59 1.934 11.065 -5.571 1.00 0.00 N ATOM 861 CA ASP A 59 0.620 10.887 -6.249 1.00 0.00 C ATOM 862 C ASP A 59 0.781 9.950 -7.449 1.00 0.00 C ATOM 863 O ASP A 59 -0.186 9.520 -8.041 1.00 0.00 O ATOM 864 CB ASP A 59 0.112 12.246 -6.733 1.00 0.00 C ATOM 865 CG ASP A 59 -1.299 12.490 -6.195 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.876 11.561 -5.654 1.00 0.00 O ATOM 867 OD2 ASP A 59 -1.780 13.602 -6.335 1.00 0.00 O ATOM 0 H ASP A 59 2.473 11.875 -5.877 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.093 10.456 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.782 13.037 -6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.107 12.276 -7.823 1.00 0.00 H new ATOM 872 N ALA A 60 1.993 9.633 -7.815 1.00 0.00 N ATOM 873 CA ALA A 60 2.204 8.728 -8.981 1.00 0.00 C ATOM 874 C ALA A 60 2.223 7.273 -8.509 1.00 0.00 C ATOM 875 O ALA A 60 1.721 6.390 -9.175 1.00 0.00 O ATOM 876 CB ALA A 60 3.534 9.068 -9.656 1.00 0.00 C ATOM 0 H ALA A 60 2.844 9.960 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 60 1.391 8.862 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.689 8.407 -10.509 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.514 10.103 -9.998 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.348 8.937 -8.943 1.00 0.00 H new ATOM 882 N ILE A 61 2.794 7.014 -7.366 1.00 0.00 N ATOM 883 CA ILE A 61 2.834 5.613 -6.861 1.00 0.00 C ATOM 884 C ILE A 61 1.482 5.263 -6.243 1.00 0.00 C ATOM 885 O ILE A 61 1.010 4.149 -6.352 1.00 0.00 O ATOM 886 CB ILE A 61 3.918 5.468 -5.792 1.00 0.00 C ATOM 887 CG1 ILE A 61 5.037 6.475 -6.046 1.00 0.00 C ATOM 888 CG2 ILE A 61 4.496 4.057 -5.830 1.00 0.00 C ATOM 889 CD1 ILE A 61 4.906 7.613 -5.041 1.00 0.00 C ATOM 0 H ILE A 61 3.233 7.708 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 61 3.055 4.943 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 61 3.475 5.656 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.009 5.993 -5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.975 6.860 -7.064 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.268 3.959 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.703 3.334 -5.639 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.931 3.868 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.699 8.341 -5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.937 8.097 -5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.988 7.216 -4.029 1.00 0.00 H new ATOM 901 N ILE A 62 0.858 6.202 -5.586 1.00 0.00 N ATOM 902 CA ILE A 62 -0.456 5.907 -4.957 1.00 0.00 C ATOM 903 C ILE A 62 -1.568 5.996 -6.007 1.00 0.00 C ATOM 904 O ILE A 62 -2.700 5.651 -5.750 1.00 0.00 O ATOM 905 CB ILE A 62 -0.729 6.901 -3.822 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.753 6.284 -2.865 1.00 0.00 C ATOM 907 CG2 ILE A 62 -1.282 8.217 -4.387 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.345 7.371 -1.970 1.00 0.00 C ATOM 0 H ILE A 62 1.200 7.154 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.434 4.898 -4.546 1.00 0.00 H new ATOM 0 HB ILE A 62 0.201 7.113 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.545 5.795 -3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.277 5.516 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.471 8.913 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.556 8.652 -5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.213 8.022 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.073 6.927 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.549 7.840 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.836 8.123 -2.587 1.00 0.00 H new ATOM 920 N GLU A 63 -1.253 6.466 -7.181 1.00 0.00 N ATOM 921 CA GLU A 63 -2.295 6.583 -8.243 1.00 0.00 C ATOM 922 C GLU A 63 -2.802 5.191 -8.626 1.00 0.00 C ATOM 923 O GLU A 63 -3.990 4.948 -8.689 1.00 0.00 O ATOM 924 CB GLU A 63 -1.696 7.260 -9.477 1.00 0.00 C ATOM 925 CG GLU A 63 -2.764 7.366 -10.569 1.00 0.00 C ATOM 926 CD GLU A 63 -3.391 8.762 -10.537 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.152 9.475 -9.576 1.00 0.00 O ATOM 928 OE2 GLU A 63 -4.099 9.093 -11.472 1.00 0.00 O ATOM 0 H GLU A 63 -0.320 6.775 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.125 7.180 -7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.326 8.252 -9.217 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.843 6.687 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.320 7.178 -11.546 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.532 6.607 -10.416 1.00 0.00 H new ATOM 935 N GLU A 64 -1.913 4.273 -8.890 1.00 0.00 N ATOM 936 CA GLU A 64 -2.354 2.900 -9.275 1.00 0.00 C ATOM 937 C GLU A 64 -2.955 2.192 -8.056 1.00 0.00 C ATOM 938 O GLU A 64 -3.541 1.134 -8.170 1.00 0.00 O ATOM 939 CB GLU A 64 -1.155 2.102 -9.794 1.00 0.00 C ATOM 940 CG GLU A 64 -0.258 1.695 -8.623 1.00 0.00 C ATOM 941 CD GLU A 64 0.899 0.838 -9.140 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.630 -0.222 -9.682 1.00 0.00 O ATOM 943 OE2 GLU A 64 2.035 1.256 -8.986 1.00 0.00 O ATOM 0 H GLU A 64 -0.903 4.412 -8.856 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.108 2.970 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.499 1.215 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.589 2.701 -10.507 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.129 2.582 -8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.836 1.138 -7.885 1.00 0.00 H new ATOM 950 N VAL A 65 -2.816 2.768 -6.893 1.00 0.00 N ATOM 951 CA VAL A 65 -3.379 2.125 -5.671 1.00 0.00 C ATOM 952 C VAL A 65 -4.681 2.826 -5.279 1.00 0.00 C ATOM 953 O VAL A 65 -5.486 2.294 -4.540 1.00 0.00 O ATOM 954 CB VAL A 65 -2.376 2.240 -4.523 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.646 1.135 -3.498 1.00 0.00 C ATOM 956 CG2 VAL A 65 -0.955 2.091 -5.070 1.00 0.00 C ATOM 0 H VAL A 65 -2.338 3.655 -6.736 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.578 1.073 -5.876 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.481 3.214 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.931 1.216 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.658 1.240 -3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.541 0.161 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.240 2.173 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.849 1.117 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.762 2.877 -5.801 1.00 0.00 H new ATOM 966 N ASP A 66 -4.892 4.020 -5.762 1.00 0.00 N ATOM 967 CA ASP A 66 -6.137 4.757 -5.412 1.00 0.00 C ATOM 968 C ASP A 66 -7.101 4.724 -6.600 1.00 0.00 C ATOM 969 O ASP A 66 -7.659 5.732 -6.988 1.00 0.00 O ATOM 970 CB ASP A 66 -5.789 6.210 -5.062 1.00 0.00 C ATOM 971 CG ASP A 66 -5.238 6.929 -6.296 1.00 0.00 C ATOM 972 OD1 ASP A 66 -5.284 6.349 -7.367 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.781 8.049 -6.147 1.00 0.00 O ATOM 0 H ASP A 66 -4.255 4.517 -6.384 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.612 4.285 -4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.676 6.727 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.053 6.233 -4.259 1.00 0.00 H new ATOM 978 N GLU A 67 -7.302 3.572 -7.178 1.00 0.00 N ATOM 979 CA GLU A 67 -8.230 3.471 -8.340 1.00 0.00 C ATOM 980 C GLU A 67 -9.652 3.802 -7.881 1.00 0.00 C ATOM 981 O GLU A 67 -10.427 4.393 -8.605 1.00 0.00 O ATOM 982 CB GLU A 67 -8.196 2.048 -8.902 1.00 0.00 C ATOM 983 CG GLU A 67 -8.764 2.045 -10.323 1.00 0.00 C ATOM 984 CD GLU A 67 -8.028 0.998 -11.165 1.00 0.00 C ATOM 985 OE1 GLU A 67 -7.006 0.514 -10.709 1.00 0.00 O ATOM 986 OE2 GLU A 67 -8.501 0.700 -12.249 1.00 0.00 O ATOM 0 H GLU A 67 -6.863 2.695 -6.896 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.921 4.173 -9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.173 1.672 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.777 1.381 -8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.831 1.823 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.653 3.032 -10.772 1.00 0.00 H new ATOM 993 N ASP A 68 -9.999 3.425 -6.681 1.00 0.00 N ATOM 994 CA ASP A 68 -11.369 3.716 -6.173 1.00 0.00 C ATOM 995 C ASP A 68 -11.748 5.157 -6.521 1.00 0.00 C ATOM 996 O ASP A 68 -12.596 5.403 -7.355 1.00 0.00 O ATOM 997 CB ASP A 68 -11.402 3.535 -4.654 1.00 0.00 C ATOM 998 CG ASP A 68 -12.836 3.258 -4.203 1.00 0.00 C ATOM 999 OD1 ASP A 68 -13.745 3.588 -4.948 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -13.003 2.721 -3.120 1.00 0.00 O ATOM 0 H ASP A 68 -9.392 2.927 -6.030 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.079 3.030 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.752 2.710 -4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.022 4.430 -4.162 1.00 0.00 H new ATOM 1005 N GLY A 69 -11.125 6.112 -5.886 1.00 0.00 N ATOM 1006 CA GLY A 69 -11.448 7.538 -6.179 1.00 0.00 C ATOM 1007 C GLY A 69 -11.256 8.383 -4.916 1.00 0.00 C ATOM 1008 O GLY A 69 -12.005 9.304 -4.656 1.00 0.00 O ATOM 0 H GLY A 69 -10.406 5.967 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.806 7.909 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.476 7.623 -6.532 1.00 0.00 H new ATOM 1012 N SER A 70 -10.258 8.081 -4.131 1.00 0.00 N ATOM 1013 CA SER A 70 -10.020 8.872 -2.890 1.00 0.00 C ATOM 1014 C SER A 70 -8.587 9.409 -2.897 1.00 0.00 C ATOM 1015 O SER A 70 -8.304 10.463 -2.362 1.00 0.00 O ATOM 1016 CB SER A 70 -10.224 7.977 -1.667 1.00 0.00 C ATOM 1017 OG SER A 70 -9.247 8.293 -0.683 1.00 0.00 O ATOM 0 H SER A 70 -9.597 7.321 -4.295 1.00 0.00 H new ATOM 0 HA SER A 70 -10.721 9.706 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.225 8.120 -1.261 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.143 6.928 -1.952 1.00 0.00 H new ATOM 0 HG SER A 70 -8.706 7.498 -0.492 1.00 0.00 H new ATOM 1023 N GLY A 71 -7.679 8.691 -3.501 1.00 0.00 N ATOM 1024 CA GLY A 71 -6.264 9.155 -3.544 1.00 0.00 C ATOM 1025 C GLY A 71 -5.529 8.664 -2.298 1.00 0.00 C ATOM 1026 O GLY A 71 -4.584 9.276 -1.839 1.00 0.00 O ATOM 0 H GLY A 71 -7.857 7.801 -3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.773 8.777 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.228 10.243 -3.595 1.00 0.00 H new ATOM 1030 N THR A 72 -5.956 7.562 -1.745 1.00 0.00 N ATOM 1031 CA THR A 72 -5.285 7.031 -0.524 1.00 0.00 C ATOM 1032 C THR A 72 -5.574 5.542 -0.397 1.00 0.00 C ATOM 1033 O THR A 72 -6.183 4.938 -1.258 1.00 0.00 O ATOM 1034 CB THR A 72 -5.818 7.743 0.724 1.00 0.00 C ATOM 1035 OG1 THR A 72 -6.821 6.944 1.335 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.412 9.092 0.336 1.00 0.00 C ATOM 0 H THR A 72 -6.740 7.006 -2.086 1.00 0.00 H new ATOM 0 HA THR A 72 -4.212 7.202 -0.610 1.00 0.00 H new ATOM 0 HB THR A 72 -4.998 7.899 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.160 7.399 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.789 9.593 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.642 9.708 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 72 -7.230 8.940 -0.368 1.00 0.00 H new ATOM 1044 N ILE A 73 -5.153 4.946 0.681 1.00 0.00 N ATOM 1045 CA ILE A 73 -5.418 3.499 0.869 1.00 0.00 C ATOM 1046 C ILE A 73 -5.275 3.140 2.351 1.00 0.00 C ATOM 1047 O ILE A 73 -4.690 3.872 3.124 1.00 0.00 O ATOM 1048 CB ILE A 73 -4.423 2.684 0.038 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -3.094 3.439 -0.056 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -4.988 2.474 -1.368 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -2.043 2.544 -0.715 1.00 0.00 C ATOM 0 H ILE A 73 -4.639 5.398 1.437 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.432 3.269 0.541 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.258 1.718 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.223 4.353 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.762 3.736 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.281 1.894 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.934 1.937 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.152 3.442 -1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.097 3.082 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.906 1.643 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.375 2.269 -1.716 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.803 2.016 2.749 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.697 1.603 4.177 1.00 0.00 C ATOM 1065 C ASP A 74 -4.707 0.439 4.292 1.00 0.00 C ATOM 1066 O ASP A 74 -3.926 0.191 3.395 1.00 0.00 O ATOM 1067 CB ASP A 74 -7.076 1.162 4.679 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.982 2.386 4.830 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.991 3.206 3.926 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.649 2.484 5.846 1.00 0.00 O ATOM 0 H ASP A 74 -6.304 1.364 2.146 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.344 2.439 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.519 0.453 3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.979 0.648 5.635 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.724 -0.274 5.387 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.774 -1.412 5.547 1.00 0.00 C ATOM 1077 C PHE A 75 -4.209 -2.584 4.653 1.00 0.00 C ATOM 1078 O PHE A 75 -3.393 -3.300 4.110 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.732 -1.838 7.031 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.615 -3.045 7.277 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.006 -2.932 7.168 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -4.038 -4.276 7.611 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.819 -4.050 7.392 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.850 -5.394 7.834 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.241 -5.281 7.726 1.00 0.00 C ATOM 0 H PHE A 75 -5.353 -0.118 6.175 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.774 -1.104 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.706 -2.070 7.317 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.059 -1.010 7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.452 -1.983 6.911 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.965 -4.363 7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.892 -3.963 7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.403 -6.344 8.089 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.868 -6.143 7.900 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.488 -2.791 4.506 1.00 0.00 N ATOM 1096 CA GLU A 76 -5.962 -3.922 3.660 1.00 0.00 C ATOM 1097 C GLU A 76 -6.082 -3.465 2.205 1.00 0.00 C ATOM 1098 O GLU A 76 -6.054 -4.265 1.291 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.326 -4.398 4.162 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.298 -3.218 4.205 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.541 -3.552 3.380 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.438 -3.553 2.164 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.575 -3.802 3.977 1.00 0.00 O ATOM 0 H GLU A 76 -6.223 -2.228 4.933 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.246 -4.742 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.714 -5.178 3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.226 -4.836 5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.580 -3.002 5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.817 -2.322 3.812 1.00 0.00 H new ATOM 1110 N GLU A 77 -6.215 -2.188 1.980 1.00 0.00 N ATOM 1111 CA GLU A 77 -6.335 -1.693 0.580 1.00 0.00 C ATOM 1112 C GLU A 77 -4.950 -1.648 -0.067 1.00 0.00 C ATOM 1113 O GLU A 77 -4.780 -2.004 -1.215 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.946 -0.290 0.582 1.00 0.00 C ATOM 1115 CG GLU A 77 -8.027 -0.204 -0.498 1.00 0.00 C ATOM 1116 CD GLU A 77 -9.258 -0.996 -0.052 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -9.141 -2.201 0.094 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -10.296 -0.384 0.136 1.00 0.00 O ATOM 0 H GLU A 77 -6.246 -1.468 2.702 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.978 -2.366 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.375 -0.070 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.173 0.456 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.296 0.837 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.648 -0.601 -1.440 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.955 -1.214 0.659 1.00 0.00 N ATOM 1126 CA PHE A 78 -2.585 -1.151 0.075 1.00 0.00 C ATOM 1127 C PHE A 78 -1.921 -2.527 0.189 1.00 0.00 C ATOM 1128 O PHE A 78 -0.886 -2.780 -0.396 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.758 -0.082 0.813 1.00 0.00 C ATOM 1130 CG PHE A 78 -1.018 -0.685 1.990 1.00 0.00 C ATOM 1131 CD1 PHE A 78 -1.708 -1.446 2.942 1.00 0.00 C ATOM 1132 CD2 PHE A 78 0.361 -0.481 2.124 1.00 0.00 C ATOM 1133 CE1 PHE A 78 -1.017 -2.002 4.027 1.00 0.00 C ATOM 1134 CE2 PHE A 78 1.050 -1.037 3.207 1.00 0.00 C ATOM 1135 CZ PHE A 78 0.362 -1.797 4.160 1.00 0.00 C ATOM 0 H PHE A 78 -4.031 -0.902 1.627 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.642 -0.877 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.045 0.371 0.124 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.415 0.715 1.161 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.771 -1.604 2.840 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.893 0.106 1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.548 -2.589 4.761 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.114 -0.880 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.894 -2.225 4.997 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.512 -3.418 0.938 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.921 -4.777 1.090 1.00 0.00 C ATOM 1147 C LEU A 79 -1.720 -5.402 -0.292 1.00 0.00 C ATOM 1148 O LEU A 79 -0.780 -6.136 -0.520 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.869 -5.651 1.915 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.057 -6.635 2.758 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.471 -5.907 3.970 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -2.970 -7.766 3.238 1.00 0.00 C ATOM 0 H LEU A 79 -3.380 -3.263 1.452 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.959 -4.704 1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.486 -5.026 2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.546 -6.194 1.255 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.248 -7.048 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.892 -6.608 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.823 -5.099 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.280 -5.494 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.393 -8.469 3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.778 -7.351 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.390 -8.285 2.376 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.597 -5.118 -1.216 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.453 -5.698 -2.580 1.00 0.00 C ATOM 1166 C VAL A 80 -1.218 -5.104 -3.257 1.00 0.00 C ATOM 1167 O VAL A 80 -0.522 -5.770 -3.997 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.696 -5.368 -3.410 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -3.719 -3.871 -3.726 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -3.659 -6.165 -4.716 1.00 0.00 C ATOM 0 H VAL A 80 -3.406 -4.510 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.343 -6.780 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.591 -5.632 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.605 -3.637 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.743 -3.303 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.825 -3.605 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.543 -5.932 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.764 -5.900 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.644 -7.231 -4.491 1.00 0.00 H new ATOM 1180 N MET A 81 -0.939 -3.853 -3.009 1.00 0.00 N ATOM 1181 CA MET A 81 0.251 -3.216 -3.637 1.00 0.00 C ATOM 1182 C MET A 81 1.518 -3.959 -3.206 1.00 0.00 C ATOM 1183 O MET A 81 2.539 -3.895 -3.861 1.00 0.00 O ATOM 1184 CB MET A 81 0.341 -1.756 -3.190 1.00 0.00 C ATOM 1185 CG MET A 81 1.660 -1.153 -3.679 1.00 0.00 C ATOM 1186 SD MET A 81 2.711 -0.761 -2.257 1.00 0.00 S ATOM 1187 CE MET A 81 1.637 0.494 -1.516 1.00 0.00 C ATOM 0 H MET A 81 -1.485 -3.245 -2.398 1.00 0.00 H new ATOM 0 HA MET A 81 0.156 -3.261 -4.722 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.500 -1.190 -3.590 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.281 -1.693 -2.104 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.170 -1.855 -4.339 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.466 -0.252 -4.261 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.248 1.282 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.993 0.921 -2.284 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.023 0.036 -0.741 1.00 0.00 H new ATOM 1197 N MET A 82 1.464 -4.659 -2.106 1.00 0.00 N ATOM 1198 CA MET A 82 2.669 -5.398 -1.636 1.00 0.00 C ATOM 1199 C MET A 82 2.676 -6.810 -2.225 1.00 0.00 C ATOM 1200 O MET A 82 3.698 -7.464 -2.277 1.00 0.00 O ATOM 1201 CB MET A 82 2.652 -5.484 -0.108 1.00 0.00 C ATOM 1202 CG MET A 82 4.077 -5.328 0.426 1.00 0.00 C ATOM 1203 SD MET A 82 4.067 -5.476 2.229 1.00 0.00 S ATOM 1204 CE MET A 82 4.346 -3.728 2.599 1.00 0.00 C ATOM 0 H MET A 82 0.639 -4.751 -1.514 1.00 0.00 H new ATOM 0 HA MET A 82 3.564 -4.868 -1.963 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.010 -4.705 0.304 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.236 -6.440 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.725 -6.090 -0.008 1.00 0.00 H new ATOM 0 HG3 MET A 82 4.483 -4.360 0.132 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.950 -3.498 3.588 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.415 -3.518 2.578 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.841 -3.113 1.854 1.00 0.00 H new ATOM 1214 N VAL A 83 1.546 -7.290 -2.667 1.00 0.00 N ATOM 1215 CA VAL A 83 1.499 -8.662 -3.248 1.00 0.00 C ATOM 1216 C VAL A 83 2.001 -8.622 -4.692 1.00 0.00 C ATOM 1217 O VAL A 83 2.815 -9.429 -5.100 1.00 0.00 O ATOM 1218 CB VAL A 83 0.061 -9.181 -3.225 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.022 -10.603 -3.789 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.454 -9.192 -1.785 1.00 0.00 C ATOM 0 H VAL A 83 0.655 -6.793 -2.651 1.00 0.00 H new ATOM 0 HA VAL A 83 2.133 -9.325 -2.659 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.569 -8.531 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.003 -10.973 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.389 -10.598 -4.815 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.652 -11.253 -3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.479 -9.562 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.176 -9.842 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.427 -8.180 -1.381 1.00 0.00 H new ATOM 1230 N ARG A 84 1.520 -7.693 -5.472 1.00 0.00 N ATOM 1231 CA ARG A 84 1.967 -7.607 -6.892 1.00 0.00 C ATOM 1232 C ARG A 84 3.370 -7.001 -6.957 1.00 0.00 C ATOM 1233 O ARG A 84 4.087 -7.179 -7.923 1.00 0.00 O ATOM 1234 CB ARG A 84 0.994 -6.730 -7.689 1.00 0.00 C ATOM 1235 CG ARG A 84 0.554 -5.536 -6.839 1.00 0.00 C ATOM 1236 CD ARG A 84 0.231 -4.351 -7.753 1.00 0.00 C ATOM 1237 NE ARG A 84 -1.235 -4.078 -7.713 1.00 0.00 N ATOM 1238 CZ ARG A 84 -1.723 -3.038 -8.333 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -1.137 -2.585 -9.408 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -2.796 -2.451 -7.878 1.00 0.00 N ATOM 0 H ARG A 84 0.837 -6.990 -5.188 1.00 0.00 H new ATOM 0 HA ARG A 84 1.986 -8.609 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.472 -6.380 -8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.124 -7.315 -7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.321 -5.801 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.343 -5.264 -6.138 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.785 -3.469 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.543 -4.570 -8.774 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.856 -4.704 -7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.298 -3.044 -9.763 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.518 -1.772 -9.893 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.253 -2.805 -7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.177 -1.638 -8.363 1.00 0.00 H new ATOM 1254 N GLN A 85 3.772 -6.286 -5.943 1.00 0.00 N ATOM 1255 CA GLN A 85 5.130 -5.673 -5.960 1.00 0.00 C ATOM 1256 C GLN A 85 6.148 -6.658 -5.380 1.00 0.00 C ATOM 1257 O GLN A 85 6.879 -6.342 -4.463 1.00 0.00 O ATOM 1258 CB GLN A 85 5.125 -4.394 -5.121 1.00 0.00 C ATOM 1259 CG GLN A 85 6.535 -3.797 -5.094 1.00 0.00 C ATOM 1260 CD GLN A 85 6.582 -2.552 -5.983 1.00 0.00 C ATOM 1261 OE1 GLN A 85 5.557 -2.000 -6.332 1.00 0.00 O ATOM 1262 NE2 GLN A 85 7.739 -2.085 -6.367 1.00 0.00 N ATOM 0 H GLN A 85 3.221 -6.100 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 85 5.403 -5.434 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.422 -3.674 -5.540 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.791 -4.613 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.811 -3.537 -4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.259 -4.533 -5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.599 -2.549 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.783 -1.256 -6.960 1.00 0.00 H new