USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 426 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 15 SER OG : rot -40:sc= -1.59! USER MOD Single : A 19 MET CE :methyl -106:sc= -3.01! (180deg=-3.82!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.979 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 179:sc= 0 (180deg=-0.000828) USER MOD Single : A 46 MET CE :methyl -166:sc= 0 (180deg=-0.0429) USER MOD Single : A 48 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-8.1!) USER MOD Single : A 59 SER OG : rot 33:sc= 0.0601 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.519 -0.137 11.320 1.00 0.00 N ATOM 2 CA GLY A 1 19.102 0.935 12.108 1.00 0.00 C ATOM 3 C GLY A 1 19.418 2.150 11.233 1.00 0.00 C ATOM 4 O GLY A 1 18.759 3.183 11.337 1.00 0.00 O ATOM 0 H1 GLY A 1 18.314 -0.949 11.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.637 0.195 10.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.188 -0.426 10.578 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.413 1.224 12.902 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.014 0.582 12.590 1.00 0.00 H new ATOM 8 N SER A 2 20.427 1.985 10.390 1.00 0.00 N ATOM 9 CA SER A 2 20.838 3.055 9.497 1.00 0.00 C ATOM 10 C SER A 2 19.669 3.467 8.600 1.00 0.00 C ATOM 11 O SER A 2 19.252 4.624 8.609 1.00 0.00 O ATOM 12 CB SER A 2 22.036 2.632 8.645 1.00 0.00 C ATOM 13 OG SER A 2 23.231 2.532 9.417 1.00 0.00 O ATOM 0 H SER A 2 20.972 1.127 10.307 1.00 0.00 H new ATOM 0 HA SER A 2 21.141 3.908 10.104 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.826 1.671 8.176 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.183 3.354 7.842 1.00 0.00 H new ATOM 0 HG SER A 2 23.973 2.258 8.838 1.00 0.00 H new ATOM 19 N SER A 3 19.172 2.496 7.846 1.00 0.00 N ATOM 20 CA SER A 3 18.059 2.743 6.945 1.00 0.00 C ATOM 21 C SER A 3 18.401 3.892 5.995 1.00 0.00 C ATOM 22 O SER A 3 18.005 5.034 6.227 1.00 0.00 O ATOM 23 CB SER A 3 16.781 3.060 7.723 1.00 0.00 C ATOM 24 OG SER A 3 15.936 1.920 7.851 1.00 0.00 O ATOM 0 H SER A 3 19.520 1.537 7.841 1.00 0.00 H new ATOM 0 HA SER A 3 17.882 1.839 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.043 3.430 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.238 3.859 7.218 1.00 0.00 H new ATOM 0 HG SER A 3 15.132 2.164 8.355 1.00 0.00 H new ATOM 30 N GLY A 4 19.132 3.551 4.944 1.00 0.00 N ATOM 31 CA GLY A 4 19.531 4.540 3.957 1.00 0.00 C ATOM 32 C GLY A 4 20.046 3.867 2.683 1.00 0.00 C ATOM 33 O GLY A 4 20.232 2.652 2.651 1.00 0.00 O ATOM 0 H GLY A 4 19.458 2.603 4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.683 5.181 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.308 5.181 4.373 1.00 0.00 H new ATOM 37 N SER A 5 20.262 4.686 1.665 1.00 0.00 N ATOM 38 CA SER A 5 20.752 4.185 0.392 1.00 0.00 C ATOM 39 C SER A 5 22.274 4.034 0.440 1.00 0.00 C ATOM 40 O SER A 5 23.005 4.979 0.146 1.00 0.00 O ATOM 41 CB SER A 5 20.347 5.111 -0.757 1.00 0.00 C ATOM 42 OG SER A 5 18.975 4.955 -1.109 1.00 0.00 O ATOM 0 H SER A 5 20.107 5.694 1.695 1.00 0.00 H new ATOM 0 HA SER A 5 20.302 3.209 0.212 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.533 6.146 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.970 4.904 -1.627 1.00 0.00 H new ATOM 0 HG SER A 5 18.755 5.564 -1.845 1.00 0.00 H new ATOM 48 N SER A 6 22.707 2.839 0.813 1.00 0.00 N ATOM 49 CA SER A 6 24.128 2.552 0.903 1.00 0.00 C ATOM 50 C SER A 6 24.371 1.051 0.732 1.00 0.00 C ATOM 51 O SER A 6 23.529 0.236 1.104 1.00 0.00 O ATOM 52 CB SER A 6 24.704 3.034 2.236 1.00 0.00 C ATOM 53 OG SER A 6 26.093 3.338 2.140 1.00 0.00 O ATOM 0 H SER A 6 22.098 2.058 1.057 1.00 0.00 H new ATOM 0 HA SER A 6 24.636 3.089 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.161 3.920 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.553 2.266 2.995 1.00 0.00 H new ATOM 0 HG SER A 6 26.422 3.644 3.011 1.00 0.00 H new ATOM 59 N GLY A 7 25.527 0.732 0.169 1.00 0.00 N ATOM 60 CA GLY A 7 25.892 -0.657 -0.056 1.00 0.00 C ATOM 61 C GLY A 7 25.375 -1.147 -1.410 1.00 0.00 C ATOM 62 O GLY A 7 25.556 -0.478 -2.427 1.00 0.00 O ATOM 0 H GLY A 7 26.223 1.411 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.976 -0.763 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.482 -1.278 0.740 1.00 0.00 H new ATOM 66 N ALA A 8 24.742 -2.310 -1.380 1.00 0.00 N ATOM 67 CA ALA A 8 24.197 -2.897 -2.592 1.00 0.00 C ATOM 68 C ALA A 8 23.046 -3.837 -2.226 1.00 0.00 C ATOM 69 O ALA A 8 23.168 -4.644 -1.307 1.00 0.00 O ATOM 70 CB ALA A 8 25.312 -3.612 -3.359 1.00 0.00 C ATOM 0 H ALA A 8 24.594 -2.862 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 8 23.795 -2.123 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 8 24.903 -4.053 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 8 26.091 -2.896 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 8 25.737 -4.398 -2.735 1.00 0.00 H new ATOM 76 N GLU A 9 21.955 -3.700 -2.965 1.00 0.00 N ATOM 77 CA GLU A 9 20.783 -4.526 -2.730 1.00 0.00 C ATOM 78 C GLU A 9 20.602 -4.776 -1.232 1.00 0.00 C ATOM 79 O GLU A 9 21.093 -5.771 -0.700 1.00 0.00 O ATOM 80 CB GLU A 9 20.880 -5.846 -3.498 1.00 0.00 C ATOM 81 CG GLU A 9 21.243 -5.602 -4.964 1.00 0.00 C ATOM 82 CD GLU A 9 20.402 -6.482 -5.891 1.00 0.00 C ATOM 83 OE1 GLU A 9 19.219 -6.129 -6.090 1.00 0.00 O ATOM 84 OE2 GLU A 9 20.960 -7.488 -6.380 1.00 0.00 O ATOM 0 H GLU A 9 21.858 -3.029 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 9 19.907 -3.993 -3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 9 21.631 -6.486 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.930 -6.376 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 9 21.085 -4.552 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 9 22.301 -5.811 -5.120 1.00 0.00 H new ATOM 91 N LEU A 10 19.895 -3.855 -0.592 1.00 0.00 N ATOM 92 CA LEU A 10 19.643 -3.963 0.834 1.00 0.00 C ATOM 93 C LEU A 10 18.771 -5.191 1.103 1.00 0.00 C ATOM 94 O LEU A 10 19.212 -6.140 1.750 1.00 0.00 O ATOM 95 CB LEU A 10 19.051 -2.659 1.374 1.00 0.00 C ATOM 96 CG LEU A 10 20.024 -1.487 1.512 1.00 0.00 C ATOM 97 CD1 LEU A 10 20.244 -0.795 0.165 1.00 0.00 C ATOM 98 CD2 LEU A 10 19.553 -0.507 2.589 1.00 0.00 C ATOM 0 H LEU A 10 19.489 -3.031 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 10 20.578 -4.111 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.236 -2.354 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.614 -2.859 2.352 1.00 0.00 H new ATOM 0 HG LEU A 10 20.988 -1.880 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 10 20.940 0.034 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 10 20.656 -1.509 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 10 19.293 -0.417 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 10 20.263 0.317 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.571 -0.116 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 10 19.489 -1.023 3.547 1.00 0.00 H new ATOM 110 N THR A 11 17.550 -5.134 0.592 1.00 0.00 N ATOM 111 CA THR A 11 16.613 -6.230 0.768 1.00 0.00 C ATOM 112 C THR A 11 15.599 -6.255 -0.378 1.00 0.00 C ATOM 113 O THR A 11 15.643 -5.407 -1.268 1.00 0.00 O ATOM 114 CB THR A 11 15.968 -6.084 2.147 1.00 0.00 C ATOM 115 OG1 THR A 11 15.530 -4.728 2.183 1.00 0.00 O ATOM 116 CG2 THR A 11 16.988 -6.176 3.284 1.00 0.00 C ATOM 0 H THR A 11 17.188 -4.345 0.056 1.00 0.00 H new ATOM 0 HA THR A 11 17.121 -7.194 0.731 1.00 0.00 H new ATOM 0 HB THR A 11 15.210 -6.856 2.276 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.097 -4.547 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.477 -6.066 4.241 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.487 -7.145 3.248 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.728 -5.383 3.174 1.00 0.00 H new ATOM 124 N ALA A 12 14.711 -7.235 -0.318 1.00 0.00 N ATOM 125 CA ALA A 12 13.688 -7.381 -1.340 1.00 0.00 C ATOM 126 C ALA A 12 12.794 -6.140 -1.341 1.00 0.00 C ATOM 127 O ALA A 12 12.430 -5.634 -2.402 1.00 0.00 O ATOM 128 CB ALA A 12 12.898 -8.668 -1.091 1.00 0.00 C ATOM 0 H ALA A 12 14.678 -7.936 0.422 1.00 0.00 H new ATOM 0 HA ALA A 12 14.141 -7.462 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.131 -8.778 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.573 -9.523 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.426 -8.621 -0.109 1.00 0.00 H new ATOM 134 N LEU A 13 12.466 -5.684 -0.141 1.00 0.00 N ATOM 135 CA LEU A 13 11.621 -4.511 0.009 1.00 0.00 C ATOM 136 C LEU A 13 12.397 -3.270 -0.435 1.00 0.00 C ATOM 137 O LEU A 13 12.052 -2.643 -1.435 1.00 0.00 O ATOM 138 CB LEU A 13 11.080 -4.420 1.437 1.00 0.00 C ATOM 139 CG LEU A 13 9.558 -4.362 1.575 1.00 0.00 C ATOM 140 CD1 LEU A 13 8.957 -3.348 0.599 1.00 0.00 C ATOM 141 CD2 LEU A 13 8.938 -5.751 1.412 1.00 0.00 C ATOM 0 H LEU A 13 12.770 -6.106 0.737 1.00 0.00 H new ATOM 0 HA LEU A 13 10.745 -4.587 -0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.443 -5.281 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.502 -3.532 1.908 1.00 0.00 H new ATOM 0 HG LEU A 13 9.320 -4.020 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.874 -3.327 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.364 -2.358 0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.204 -3.636 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.855 -5.680 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.184 -6.146 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.332 -6.418 2.179 1.00 0.00 H new ATOM 153 N GLU A 14 13.431 -2.952 0.330 1.00 0.00 N ATOM 154 CA GLU A 14 14.258 -1.796 0.028 1.00 0.00 C ATOM 155 C GLU A 14 14.558 -1.735 -1.471 1.00 0.00 C ATOM 156 O GLU A 14 14.393 -0.690 -2.098 1.00 0.00 O ATOM 157 CB GLU A 14 15.552 -1.819 0.845 1.00 0.00 C ATOM 158 CG GLU A 14 15.264 -1.616 2.334 1.00 0.00 C ATOM 159 CD GLU A 14 14.637 -0.243 2.588 1.00 0.00 C ATOM 160 OE1 GLU A 14 15.409 0.739 2.603 1.00 0.00 O ATOM 161 OE2 GLU A 14 13.400 -0.208 2.763 1.00 0.00 O ATOM 0 H GLU A 14 13.715 -3.475 1.159 1.00 0.00 H new ATOM 0 HA GLU A 14 13.707 -0.897 0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.063 -2.770 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.224 -1.037 0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.592 -2.398 2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.189 -1.708 2.903 1.00 0.00 H new ATOM 168 N SER A 15 14.991 -2.869 -2.002 1.00 0.00 N ATOM 169 CA SER A 15 15.315 -2.957 -3.416 1.00 0.00 C ATOM 170 C SER A 15 14.178 -2.364 -4.251 1.00 0.00 C ATOM 171 O SER A 15 14.336 -1.305 -4.857 1.00 0.00 O ATOM 172 CB SER A 15 15.578 -4.406 -3.831 1.00 0.00 C ATOM 173 OG SER A 15 14.428 -5.228 -3.659 1.00 0.00 O ATOM 0 H SER A 15 15.125 -3.734 -1.479 1.00 0.00 H new ATOM 0 HA SER A 15 16.225 -2.385 -3.595 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.890 -4.433 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.402 -4.808 -3.242 1.00 0.00 H new ATOM 0 HG SER A 15 13.973 -4.984 -2.826 1.00 0.00 H new ATOM 179 N LEU A 16 13.059 -3.073 -4.256 1.00 0.00 N ATOM 180 CA LEU A 16 11.896 -2.630 -5.007 1.00 0.00 C ATOM 181 C LEU A 16 11.705 -1.126 -4.802 1.00 0.00 C ATOM 182 O LEU A 16 11.606 -0.371 -5.768 1.00 0.00 O ATOM 183 CB LEU A 16 10.668 -3.462 -4.634 1.00 0.00 C ATOM 184 CG LEU A 16 10.705 -4.935 -5.049 1.00 0.00 C ATOM 185 CD1 LEU A 16 9.335 -5.591 -4.863 1.00 0.00 C ATOM 186 CD2 LEU A 16 11.225 -5.088 -6.480 1.00 0.00 C ATOM 0 H LEU A 16 12.933 -3.951 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 16 12.048 -2.790 -6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.535 -3.413 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.790 -3.000 -5.085 1.00 0.00 H new ATOM 0 HG LEU A 16 11.403 -5.457 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.388 -6.637 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.042 -5.530 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.597 -5.073 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.241 -6.144 -6.750 1.00 0.00 H new ATOM 0 HD22 LEU A 16 10.571 -4.548 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.234 -4.681 -6.546 1.00 0.00 H new ATOM 198 N ILE A 17 11.658 -0.735 -3.537 1.00 0.00 N ATOM 199 CA ILE A 17 11.480 0.666 -3.192 1.00 0.00 C ATOM 200 C ILE A 17 12.400 1.522 -4.065 1.00 0.00 C ATOM 201 O ILE A 17 11.996 2.578 -4.550 1.00 0.00 O ATOM 202 CB ILE A 17 11.684 0.878 -1.691 1.00 0.00 C ATOM 203 CG1 ILE A 17 10.592 0.175 -0.884 1.00 0.00 C ATOM 204 CG2 ILE A 17 11.775 2.368 -1.356 1.00 0.00 C ATOM 205 CD1 ILE A 17 10.942 0.147 0.605 1.00 0.00 C ATOM 0 H ILE A 17 11.740 -1.364 -2.738 1.00 0.00 H new ATOM 0 HA ILE A 17 10.458 0.983 -3.399 1.00 0.00 H new ATOM 0 HB ILE A 17 12.634 0.425 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.641 0.688 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.463 -0.844 -1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.920 2.491 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 17 12.617 2.810 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.853 2.866 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.149 -0.358 1.156 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.881 -0.388 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.046 1.168 0.974 1.00 0.00 H new ATOM 217 N GLU A 18 13.620 1.035 -4.239 1.00 0.00 N ATOM 218 CA GLU A 18 14.600 1.743 -5.045 1.00 0.00 C ATOM 219 C GLU A 18 14.061 1.969 -6.459 1.00 0.00 C ATOM 220 O GLU A 18 14.295 3.019 -7.055 1.00 0.00 O ATOM 221 CB GLU A 18 15.930 0.986 -5.080 1.00 0.00 C ATOM 222 CG GLU A 18 17.098 1.916 -4.743 1.00 0.00 C ATOM 223 CD GLU A 18 18.029 2.083 -5.945 1.00 0.00 C ATOM 224 OE1 GLU A 18 18.797 1.132 -6.205 1.00 0.00 O ATOM 225 OE2 GLU A 18 17.952 3.159 -6.577 1.00 0.00 O ATOM 0 H GLU A 18 13.952 0.159 -3.836 1.00 0.00 H new ATOM 0 HA GLU A 18 14.784 2.715 -4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.901 0.160 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.080 0.551 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.716 2.890 -4.436 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.657 1.513 -3.899 1.00 0.00 H new ATOM 232 N MET A 19 13.350 0.967 -6.954 1.00 0.00 N ATOM 233 CA MET A 19 12.776 1.043 -8.286 1.00 0.00 C ATOM 234 C MET A 19 11.786 2.206 -8.391 1.00 0.00 C ATOM 235 O MET A 19 11.520 2.702 -9.485 1.00 0.00 O ATOM 236 CB MET A 19 12.058 -0.269 -8.610 1.00 0.00 C ATOM 237 CG MET A 19 13.013 -1.459 -8.493 1.00 0.00 C ATOM 238 SD MET A 19 12.371 -2.849 -9.409 1.00 0.00 S ATOM 239 CE MET A 19 13.542 -4.107 -8.926 1.00 0.00 C ATOM 0 H MET A 19 13.158 0.098 -6.456 1.00 0.00 H new ATOM 0 HA MET A 19 13.583 1.211 -8.999 1.00 0.00 H new ATOM 0 HB2 MET A 19 11.217 -0.405 -7.930 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.649 -0.224 -9.619 1.00 0.00 H new ATOM 0 HG2 MET A 19 13.997 -1.185 -8.874 1.00 0.00 H new ATOM 0 HG3 MET A 19 13.141 -1.731 -7.445 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.219 -4.312 -9.756 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.116 -3.759 -8.067 1.00 0.00 H new ATOM 0 HE3 MET A 19 13.007 -5.019 -8.660 1.00 0.00 H new ATOM 249 N GLY A 20 11.268 2.606 -7.239 1.00 0.00 N ATOM 250 CA GLY A 20 10.314 3.700 -7.187 1.00 0.00 C ATOM 251 C GLY A 20 8.943 3.210 -6.718 1.00 0.00 C ATOM 252 O GLY A 20 7.931 3.871 -6.949 1.00 0.00 O ATOM 0 H GLY A 20 11.491 2.192 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.679 4.473 -6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.224 4.156 -8.173 1.00 0.00 H new ATOM 256 N PHE A 21 8.953 2.056 -6.067 1.00 0.00 N ATOM 257 CA PHE A 21 7.723 1.470 -5.563 1.00 0.00 C ATOM 258 C PHE A 21 7.515 1.816 -4.087 1.00 0.00 C ATOM 259 O PHE A 21 8.475 1.893 -3.323 1.00 0.00 O ATOM 260 CB PHE A 21 7.859 -0.047 -5.704 1.00 0.00 C ATOM 261 CG PHE A 21 7.589 -0.567 -7.118 1.00 0.00 C ATOM 262 CD1 PHE A 21 6.366 -0.390 -7.686 1.00 0.00 C ATOM 263 CD2 PHE A 21 8.572 -1.208 -7.806 1.00 0.00 C ATOM 264 CE1 PHE A 21 6.116 -0.872 -8.997 1.00 0.00 C ATOM 265 CE2 PHE A 21 8.321 -1.690 -9.118 1.00 0.00 C ATOM 266 CZ PHE A 21 7.098 -1.513 -9.686 1.00 0.00 C ATOM 0 H PHE A 21 9.794 1.511 -5.877 1.00 0.00 H new ATOM 0 HA PHE A 21 6.871 1.856 -6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.866 -0.341 -5.406 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.168 -0.529 -5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.585 0.117 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.543 -1.350 -7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.145 -0.730 -9.448 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.102 -2.197 -9.665 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.907 -1.881 -10.683 1.00 0.00 H new ATOM 276 N PRO A 22 6.221 2.021 -3.722 1.00 0.00 N ATOM 277 CA PRO A 22 5.875 2.357 -2.351 1.00 0.00 C ATOM 278 C PRO A 22 5.973 1.129 -1.444 1.00 0.00 C ATOM 279 O PRO A 22 5.874 -0.003 -1.913 1.00 0.00 O ATOM 280 CB PRO A 22 4.468 2.927 -2.429 1.00 0.00 C ATOM 281 CG PRO A 22 3.903 2.462 -3.762 1.00 0.00 C ATOM 282 CD PRO A 22 5.058 1.938 -4.600 1.00 0.00 C ATOM 0 HA PRO A 22 6.560 3.081 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.856 2.571 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.484 4.015 -2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.157 1.682 -3.609 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.403 3.285 -4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.879 0.913 -4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.198 2.537 -5.500 1.00 0.00 H new ATOM 290 N ARG A 23 6.167 1.395 -0.160 1.00 0.00 N ATOM 291 CA ARG A 23 6.279 0.326 0.817 1.00 0.00 C ATOM 292 C ARG A 23 5.051 -0.584 0.752 1.00 0.00 C ATOM 293 O ARG A 23 5.177 -1.790 0.544 1.00 0.00 O ATOM 294 CB ARG A 23 6.416 0.887 2.234 1.00 0.00 C ATOM 295 CG ARG A 23 7.049 -0.142 3.172 1.00 0.00 C ATOM 296 CD ARG A 23 7.943 0.539 4.210 1.00 0.00 C ATOM 297 NE ARG A 23 8.616 -0.480 5.046 1.00 0.00 N ATOM 298 CZ ARG A 23 9.296 -0.202 6.167 1.00 0.00 C ATOM 299 NH1 ARG A 23 9.399 1.064 6.592 1.00 0.00 N ATOM 300 NH2 ARG A 23 9.875 -1.191 6.862 1.00 0.00 N ATOM 0 H ARG A 23 6.249 2.336 0.226 1.00 0.00 H new ATOM 0 HA ARG A 23 7.174 -0.249 0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.026 1.790 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.435 1.174 2.612 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.267 -0.709 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.636 -0.855 2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.687 1.160 3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.346 1.200 4.838 1.00 0.00 H new ATOM 0 HE ARG A 23 8.559 -1.455 4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.960 1.817 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.917 1.275 7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.798 -2.155 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.393 -0.980 7.715 1.00 0.00 H new ATOM 314 N GLY A 24 3.890 0.029 0.934 1.00 0.00 N ATOM 315 CA GLY A 24 2.640 -0.711 0.899 1.00 0.00 C ATOM 316 C GLY A 24 2.643 -1.739 -0.233 1.00 0.00 C ATOM 317 O GLY A 24 2.652 -2.944 0.017 1.00 0.00 O ATOM 0 H GLY A 24 3.789 1.029 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.485 -1.216 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.808 -0.020 0.765 1.00 0.00 H new ATOM 321 N ARG A 25 2.635 -1.227 -1.455 1.00 0.00 N ATOM 322 CA ARG A 25 2.637 -2.085 -2.627 1.00 0.00 C ATOM 323 C ARG A 25 3.756 -3.124 -2.523 1.00 0.00 C ATOM 324 O ARG A 25 3.490 -4.318 -2.394 1.00 0.00 O ATOM 325 CB ARG A 25 2.825 -1.270 -3.908 1.00 0.00 C ATOM 326 CG ARG A 25 1.480 -0.982 -4.578 1.00 0.00 C ATOM 327 CD ARG A 25 1.404 0.469 -5.056 1.00 0.00 C ATOM 328 NE ARG A 25 0.743 1.306 -4.029 1.00 0.00 N ATOM 329 CZ ARG A 25 -0.516 1.125 -3.608 1.00 0.00 C ATOM 330 NH1 ARG A 25 -1.258 0.135 -4.123 1.00 0.00 N ATOM 331 NH2 ARG A 25 -1.033 1.933 -2.673 1.00 0.00 N ATOM 0 H ARG A 25 2.627 -0.228 -1.659 1.00 0.00 H new ATOM 0 HA ARG A 25 1.671 -2.589 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.328 -0.331 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.470 -1.814 -4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.340 -1.655 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.670 -1.180 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.406 0.848 -5.256 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.850 0.523 -5.993 1.00 0.00 H new ATOM 0 HE ARG A 25 1.280 2.069 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.864 -0.480 -4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.217 -0.003 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.468 2.687 -2.281 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.992 1.795 -2.353 1.00 0.00 H new ATOM 345 N ALA A 26 4.984 -2.631 -2.583 1.00 0.00 N ATOM 346 CA ALA A 26 6.145 -3.501 -2.497 1.00 0.00 C ATOM 347 C ALA A 26 5.895 -4.574 -1.436 1.00 0.00 C ATOM 348 O ALA A 26 5.875 -5.765 -1.745 1.00 0.00 O ATOM 349 CB ALA A 26 7.390 -2.663 -2.197 1.00 0.00 C ATOM 0 H ALA A 26 5.201 -1.640 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 26 6.315 -4.009 -3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 26 8.261 -3.315 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.540 -1.936 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.257 -2.140 -1.250 1.00 0.00 H new ATOM 355 N GLU A 27 5.709 -4.114 -0.207 1.00 0.00 N ATOM 356 CA GLU A 27 5.461 -5.020 0.901 1.00 0.00 C ATOM 357 C GLU A 27 4.314 -5.974 0.561 1.00 0.00 C ATOM 358 O GLU A 27 4.468 -7.191 0.645 1.00 0.00 O ATOM 359 CB GLU A 27 5.167 -4.246 2.187 1.00 0.00 C ATOM 360 CG GLU A 27 6.400 -3.469 2.654 1.00 0.00 C ATOM 361 CD GLU A 27 6.498 -3.461 4.180 1.00 0.00 C ATOM 362 OE1 GLU A 27 5.592 -2.868 4.805 1.00 0.00 O ATOM 363 OE2 GLU A 27 7.478 -4.049 4.689 1.00 0.00 O ATOM 0 H GLU A 27 5.725 -3.126 0.045 1.00 0.00 H new ATOM 0 HA GLU A 27 6.361 -5.611 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.340 -3.556 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.852 -4.938 2.968 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.299 -3.918 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.350 -2.445 2.284 1.00 0.00 H new ATOM 370 N LYS A 28 3.189 -5.384 0.184 1.00 0.00 N ATOM 371 CA LYS A 28 2.016 -6.166 -0.170 1.00 0.00 C ATOM 372 C LYS A 28 2.415 -7.250 -1.173 1.00 0.00 C ATOM 373 O LYS A 28 2.187 -8.435 -0.934 1.00 0.00 O ATOM 374 CB LYS A 28 0.893 -5.252 -0.665 1.00 0.00 C ATOM 375 CG LYS A 28 -0.205 -6.061 -1.360 1.00 0.00 C ATOM 376 CD LYS A 28 -1.287 -5.140 -1.928 1.00 0.00 C ATOM 377 CE LYS A 28 -2.598 -5.901 -2.139 1.00 0.00 C ATOM 378 NZ LYS A 28 -3.655 -5.369 -1.250 1.00 0.00 N ATOM 0 H LYS A 28 3.065 -4.374 0.116 1.00 0.00 H new ATOM 0 HA LYS A 28 1.618 -6.675 0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.469 -4.703 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.298 -4.513 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.230 -6.656 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.651 -6.759 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.453 -4.305 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.950 -4.718 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.912 -5.815 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.446 -6.962 -1.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.538 -5.896 -1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.360 -5.474 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.811 -4.363 -1.460 1.00 0.00 H new ATOM 392 N ALA A 29 3.002 -6.806 -2.274 1.00 0.00 N ATOM 393 CA ALA A 29 3.434 -7.724 -3.314 1.00 0.00 C ATOM 394 C ALA A 29 4.354 -8.783 -2.704 1.00 0.00 C ATOM 395 O ALA A 29 4.036 -9.971 -2.722 1.00 0.00 O ATOM 396 CB ALA A 29 4.114 -6.939 -4.438 1.00 0.00 C ATOM 0 H ALA A 29 3.189 -5.822 -2.469 1.00 0.00 H new ATOM 0 HA ALA A 29 2.579 -8.241 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.438 -7.628 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.410 -6.221 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.979 -6.409 -4.040 1.00 0.00 H new ATOM 402 N LEU A 30 5.476 -8.314 -2.177 1.00 0.00 N ATOM 403 CA LEU A 30 6.444 -9.206 -1.562 1.00 0.00 C ATOM 404 C LEU A 30 5.705 -10.271 -0.750 1.00 0.00 C ATOM 405 O LEU A 30 6.038 -11.453 -0.820 1.00 0.00 O ATOM 406 CB LEU A 30 7.465 -8.410 -0.747 1.00 0.00 C ATOM 407 CG LEU A 30 8.783 -8.088 -1.454 1.00 0.00 C ATOM 408 CD1 LEU A 30 9.340 -9.324 -2.165 1.00 0.00 C ATOM 409 CD2 LEU A 30 8.620 -6.904 -2.408 1.00 0.00 C ATOM 0 H LEU A 30 5.736 -7.328 -2.163 1.00 0.00 H new ATOM 0 HA LEU A 30 7.019 -9.729 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.003 -7.472 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.690 -8.969 0.162 1.00 0.00 H new ATOM 0 HG LEU A 30 9.512 -7.794 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.277 -9.068 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.519 -10.114 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.621 -9.672 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.572 -6.697 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.870 -7.144 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.302 -6.026 -1.847 1.00 0.00 H new ATOM 421 N ALA A 31 4.715 -9.815 0.003 1.00 0.00 N ATOM 422 CA ALA A 31 3.926 -10.714 0.828 1.00 0.00 C ATOM 423 C ALA A 31 3.139 -11.668 -0.073 1.00 0.00 C ATOM 424 O ALA A 31 3.339 -12.880 -0.023 1.00 0.00 O ATOM 425 CB ALA A 31 3.016 -9.897 1.748 1.00 0.00 C ATOM 0 H ALA A 31 4.441 -8.834 0.059 1.00 0.00 H new ATOM 0 HA ALA A 31 4.573 -11.319 1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.424 -10.571 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.625 -9.258 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.350 -9.279 1.146 1.00 0.00 H new ATOM 431 N LEU A 32 2.261 -11.084 -0.875 1.00 0.00 N ATOM 432 CA LEU A 32 1.444 -11.866 -1.786 1.00 0.00 C ATOM 433 C LEU A 32 2.297 -12.974 -2.407 1.00 0.00 C ATOM 434 O LEU A 32 1.978 -14.155 -2.279 1.00 0.00 O ATOM 435 CB LEU A 32 0.770 -10.958 -2.816 1.00 0.00 C ATOM 436 CG LEU A 32 -0.585 -10.375 -2.411 1.00 0.00 C ATOM 437 CD1 LEU A 32 -0.766 -8.964 -2.975 1.00 0.00 C ATOM 438 CD2 LEU A 32 -1.728 -11.306 -2.821 1.00 0.00 C ATOM 0 H LEU A 32 2.098 -10.078 -0.913 1.00 0.00 H new ATOM 0 HA LEU A 32 0.632 -12.353 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.446 -10.133 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.639 -11.523 -3.739 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.610 -10.294 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.737 -8.573 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.022 -8.315 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.711 -8.997 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.680 -10.867 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.716 -11.443 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.604 -12.272 -2.332 1.00 0.00 H new ATOM 450 N THR A 33 3.366 -12.553 -3.067 1.00 0.00 N ATOM 451 CA THR A 33 4.268 -13.494 -3.709 1.00 0.00 C ATOM 452 C THR A 33 4.767 -14.528 -2.698 1.00 0.00 C ATOM 453 O THR A 33 4.706 -15.730 -2.952 1.00 0.00 O ATOM 454 CB THR A 33 5.395 -12.696 -4.368 1.00 0.00 C ATOM 455 OG1 THR A 33 6.090 -12.108 -3.272 1.00 0.00 O ATOM 456 CG2 THR A 33 4.875 -11.498 -5.165 1.00 0.00 C ATOM 0 H THR A 33 3.628 -11.573 -3.171 1.00 0.00 H new ATOM 0 HA THR A 33 3.757 -14.064 -4.485 1.00 0.00 H new ATOM 0 HB THR A 33 5.966 -13.350 -5.027 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.839 -11.573 -3.609 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.715 -10.966 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 33 4.206 -11.847 -5.952 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.333 -10.826 -4.500 1.00 0.00 H new ATOM 464 N GLY A 34 5.250 -14.023 -1.572 1.00 0.00 N ATOM 465 CA GLY A 34 5.760 -14.888 -0.522 1.00 0.00 C ATOM 466 C GLY A 34 7.241 -14.613 -0.255 1.00 0.00 C ATOM 467 O GLY A 34 8.016 -15.540 -0.022 1.00 0.00 O ATOM 0 H GLY A 34 5.299 -13.026 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.187 -14.732 0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.626 -15.931 -0.808 1.00 0.00 H new ATOM 471 N ASN A 35 7.590 -13.336 -0.298 1.00 0.00 N ATOM 472 CA ASN A 35 8.964 -12.927 -0.064 1.00 0.00 C ATOM 473 C ASN A 35 9.910 -13.921 -0.741 1.00 0.00 C ATOM 474 O ASN A 35 10.804 -14.470 -0.098 1.00 0.00 O ATOM 475 CB ASN A 35 9.287 -12.911 1.431 1.00 0.00 C ATOM 476 CG ASN A 35 8.322 -11.998 2.190 1.00 0.00 C ATOM 477 OD1 ASN A 35 8.525 -10.801 2.311 1.00 0.00 O ATOM 478 ND2 ASN A 35 7.265 -12.627 2.694 1.00 0.00 N ATOM 0 H ASN A 35 6.944 -12.570 -0.492 1.00 0.00 H new ATOM 0 HA ASN A 35 9.091 -11.924 -0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.226 -13.923 1.831 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.311 -12.570 1.582 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.563 -12.105 3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.156 -13.632 2.556 1.00 0.00 H new ATOM 485 N GLN A 36 9.680 -14.124 -2.030 1.00 0.00 N ATOM 486 CA GLN A 36 10.500 -15.043 -2.801 1.00 0.00 C ATOM 487 C GLN A 36 11.675 -14.299 -3.439 1.00 0.00 C ATOM 488 O GLN A 36 12.781 -14.831 -3.520 1.00 0.00 O ATOM 489 CB GLN A 36 9.666 -15.764 -3.862 1.00 0.00 C ATOM 490 CG GLN A 36 8.834 -16.885 -3.237 1.00 0.00 C ATOM 491 CD GLN A 36 9.381 -18.259 -3.630 1.00 0.00 C ATOM 492 OE1 GLN A 36 9.979 -18.967 -2.837 1.00 0.00 O ATOM 493 NE2 GLN A 36 9.144 -18.594 -4.895 1.00 0.00 N ATOM 0 H GLN A 36 8.937 -13.668 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 36 10.899 -15.799 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.008 -15.051 -4.358 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.323 -16.177 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.839 -16.785 -2.152 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.797 -16.797 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.637 -17.954 -5.506 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.469 -19.491 -5.254 1.00 0.00 H new ATOM 502 N GLY A 37 11.394 -13.080 -3.875 1.00 0.00 N ATOM 503 CA GLY A 37 12.414 -12.257 -4.504 1.00 0.00 C ATOM 504 C GLY A 37 11.785 -11.080 -5.251 1.00 0.00 C ATOM 505 O GLY A 37 10.576 -10.866 -5.176 1.00 0.00 O ATOM 0 H GLY A 37 10.475 -12.642 -3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.104 -11.885 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.998 -12.862 -5.197 1.00 0.00 H new ATOM 509 N ILE A 38 12.634 -10.346 -5.957 1.00 0.00 N ATOM 510 CA ILE A 38 12.176 -9.196 -6.717 1.00 0.00 C ATOM 511 C ILE A 38 11.303 -9.674 -7.880 1.00 0.00 C ATOM 512 O ILE A 38 10.100 -9.419 -7.903 1.00 0.00 O ATOM 513 CB ILE A 38 13.363 -8.335 -7.153 1.00 0.00 C ATOM 514 CG1 ILE A 38 13.939 -7.556 -5.969 1.00 0.00 C ATOM 515 CG2 ILE A 38 12.976 -7.413 -8.311 1.00 0.00 C ATOM 516 CD1 ILE A 38 15.033 -6.589 -6.428 1.00 0.00 C ATOM 0 H ILE A 38 13.636 -10.526 -6.018 1.00 0.00 H new ATOM 0 HA ILE A 38 11.555 -8.551 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 38 14.149 -8.997 -7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.143 -7.001 -5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.348 -8.251 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.838 -6.812 -8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.649 -8.013 -9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.165 -6.756 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.425 -6.048 -5.567 1.00 0.00 H new ATOM 0 HD12 ILE A 38 15.839 -7.150 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.615 -5.880 -7.142 1.00 0.00 H new ATOM 528 N GLU A 39 11.944 -10.357 -8.817 1.00 0.00 N ATOM 529 CA GLU A 39 11.241 -10.872 -9.980 1.00 0.00 C ATOM 530 C GLU A 39 9.858 -11.389 -9.578 1.00 0.00 C ATOM 531 O GLU A 39 8.859 -11.056 -10.213 1.00 0.00 O ATOM 532 CB GLU A 39 12.056 -11.966 -10.672 1.00 0.00 C ATOM 533 CG GLU A 39 12.978 -11.372 -11.738 1.00 0.00 C ATOM 534 CD GLU A 39 14.417 -11.857 -11.550 1.00 0.00 C ATOM 535 OE1 GLU A 39 14.741 -12.912 -12.137 1.00 0.00 O ATOM 536 OE2 GLU A 39 15.160 -11.161 -10.825 1.00 0.00 O ATOM 0 H GLU A 39 12.942 -10.566 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 39 11.110 -10.057 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.649 -12.505 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.383 -12.690 -11.131 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.622 -11.653 -12.729 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.947 -10.284 -11.685 1.00 0.00 H new ATOM 543 N ALA A 40 9.845 -12.194 -8.526 1.00 0.00 N ATOM 544 CA ALA A 40 8.601 -12.760 -8.032 1.00 0.00 C ATOM 545 C ALA A 40 7.641 -11.627 -7.664 1.00 0.00 C ATOM 546 O ALA A 40 6.474 -11.648 -8.051 1.00 0.00 O ATOM 547 CB ALA A 40 8.895 -13.684 -6.848 1.00 0.00 C ATOM 0 H ALA A 40 10.676 -12.468 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 40 8.120 -13.362 -8.803 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.962 -14.109 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.557 -14.488 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.376 -13.114 -6.053 1.00 0.00 H new ATOM 553 N ALA A 41 8.169 -10.666 -6.921 1.00 0.00 N ATOM 554 CA ALA A 41 7.373 -9.527 -6.496 1.00 0.00 C ATOM 555 C ALA A 41 6.963 -8.710 -7.723 1.00 0.00 C ATOM 556 O ALA A 41 5.775 -8.534 -7.988 1.00 0.00 O ATOM 557 CB ALA A 41 8.167 -8.699 -5.483 1.00 0.00 C ATOM 0 H ALA A 41 9.138 -10.652 -6.602 1.00 0.00 H new ATOM 0 HA ALA A 41 6.460 -9.860 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.570 -7.844 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.408 -9.316 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.089 -8.346 -5.945 1.00 0.00 H new ATOM 563 N MET A 42 7.970 -8.233 -8.440 1.00 0.00 N ATOM 564 CA MET A 42 7.730 -7.439 -9.633 1.00 0.00 C ATOM 565 C MET A 42 6.586 -8.028 -10.462 1.00 0.00 C ATOM 566 O MET A 42 5.838 -7.292 -11.104 1.00 0.00 O ATOM 567 CB MET A 42 9.003 -7.391 -10.480 1.00 0.00 C ATOM 568 CG MET A 42 10.031 -6.436 -9.871 1.00 0.00 C ATOM 569 SD MET A 42 11.324 -6.096 -11.055 1.00 0.00 S ATOM 570 CE MET A 42 10.565 -4.763 -11.968 1.00 0.00 C ATOM 0 H MET A 42 8.954 -8.381 -8.217 1.00 0.00 H new ATOM 0 HA MET A 42 7.450 -6.431 -9.326 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.431 -8.391 -10.557 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.758 -7.070 -11.493 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.545 -5.507 -9.574 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.458 -6.875 -8.969 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.250 -4.416 -12.742 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.644 -5.117 -12.431 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.337 -3.941 -11.290 1.00 0.00 H new ATOM 580 N ASP A 43 6.487 -9.348 -10.420 1.00 0.00 N ATOM 581 CA ASP A 43 5.447 -10.044 -11.159 1.00 0.00 C ATOM 582 C ASP A 43 4.081 -9.482 -10.760 1.00 0.00 C ATOM 583 O ASP A 43 3.229 -9.247 -11.615 1.00 0.00 O ATOM 584 CB ASP A 43 5.454 -11.541 -10.842 1.00 0.00 C ATOM 585 CG ASP A 43 4.860 -12.435 -11.932 1.00 0.00 C ATOM 586 OD1 ASP A 43 5.483 -12.501 -13.014 1.00 0.00 O ATOM 587 OD2 ASP A 43 3.796 -13.032 -11.660 1.00 0.00 O ATOM 0 H ASP A 43 7.110 -9.954 -9.886 1.00 0.00 H new ATOM 0 HA ASP A 43 5.635 -9.900 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.482 -11.853 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.900 -11.704 -9.917 1.00 0.00 H new ATOM 592 N TRP A 44 3.914 -9.284 -9.461 1.00 0.00 N ATOM 593 CA TRP A 44 2.666 -8.755 -8.938 1.00 0.00 C ATOM 594 C TRP A 44 2.507 -7.324 -9.454 1.00 0.00 C ATOM 595 O TRP A 44 1.608 -7.042 -10.245 1.00 0.00 O ATOM 596 CB TRP A 44 2.628 -8.847 -7.411 1.00 0.00 C ATOM 597 CG TRP A 44 1.280 -8.463 -6.798 1.00 0.00 C ATOM 598 CD1 TRP A 44 0.259 -9.270 -6.479 1.00 0.00 C ATOM 599 CD2 TRP A 44 0.846 -7.134 -6.440 1.00 0.00 C ATOM 600 NE1 TRP A 44 -0.797 -8.562 -5.944 1.00 0.00 N ATOM 601 CE2 TRP A 44 -0.429 -7.222 -5.920 1.00 0.00 C ATOM 602 CE3 TRP A 44 1.508 -5.899 -6.553 1.00 0.00 C ATOM 603 CZ2 TRP A 44 -1.152 -6.110 -5.471 1.00 0.00 C ATOM 604 CZ3 TRP A 44 0.773 -4.798 -6.100 1.00 0.00 C ATOM 605 CH2 TRP A 44 -0.512 -4.869 -5.574 1.00 0.00 C ATOM 0 H TRP A 44 4.623 -9.481 -8.754 1.00 0.00 H new ATOM 0 HA TRP A 44 1.820 -9.348 -9.286 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.874 -9.866 -7.112 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.401 -8.198 -6.999 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.262 -10.340 -6.623 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.685 -8.950 -5.625 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.505 -5.807 -6.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.149 -6.205 -5.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.236 -3.825 -6.163 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.014 -3.971 -5.246 1.00 0.00 H new ATOM 616 N LEU A 45 3.393 -6.457 -8.986 1.00 0.00 N ATOM 617 CA LEU A 45 3.362 -5.062 -9.391 1.00 0.00 C ATOM 618 C LEU A 45 3.135 -4.979 -10.902 1.00 0.00 C ATOM 619 O LEU A 45 2.325 -4.179 -11.368 1.00 0.00 O ATOM 620 CB LEU A 45 4.624 -4.338 -8.917 1.00 0.00 C ATOM 621 CG LEU A 45 4.760 -4.146 -7.406 1.00 0.00 C ATOM 622 CD1 LEU A 45 6.230 -4.042 -6.996 1.00 0.00 C ATOM 623 CD2 LEU A 45 3.946 -2.941 -6.931 1.00 0.00 C ATOM 0 H LEU A 45 4.137 -6.694 -8.330 1.00 0.00 H new ATOM 0 HA LEU A 45 2.529 -4.545 -8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.492 -4.893 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.656 -3.358 -9.392 1.00 0.00 H new ATOM 0 HG LEU A 45 4.350 -5.027 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.298 -3.906 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.752 -4.955 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.689 -3.190 -7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.060 -2.827 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.303 -2.041 -7.431 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.894 -3.096 -7.170 1.00 0.00 H new ATOM 635 N MET A 46 3.865 -5.816 -11.624 1.00 0.00 N ATOM 636 CA MET A 46 3.754 -5.847 -13.073 1.00 0.00 C ATOM 637 C MET A 46 2.326 -6.185 -13.506 1.00 0.00 C ATOM 638 O MET A 46 1.638 -5.352 -14.092 1.00 0.00 O ATOM 639 CB MET A 46 4.720 -6.891 -13.637 1.00 0.00 C ATOM 640 CG MET A 46 6.150 -6.347 -13.681 1.00 0.00 C ATOM 641 SD MET A 46 6.294 -5.113 -14.962 1.00 0.00 S ATOM 642 CE MET A 46 6.641 -3.672 -13.967 1.00 0.00 C ATOM 0 H MET A 46 4.536 -6.478 -11.233 1.00 0.00 H new ATOM 0 HA MET A 46 4.007 -4.860 -13.460 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.688 -7.791 -13.023 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.405 -7.179 -14.640 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.413 -5.914 -12.716 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.852 -7.160 -13.867 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.516 -2.774 -14.571 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.954 -3.639 -13.122 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.666 -3.722 -13.600 1.00 0.00 H new ATOM 652 N GLU A 47 1.924 -7.410 -13.201 1.00 0.00 N ATOM 653 CA GLU A 47 0.591 -7.869 -13.551 1.00 0.00 C ATOM 654 C GLU A 47 -0.467 -6.974 -12.902 1.00 0.00 C ATOM 655 O GLU A 47 -1.634 -7.006 -13.288 1.00 0.00 O ATOM 656 CB GLU A 47 0.391 -9.332 -13.150 1.00 0.00 C ATOM 657 CG GLU A 47 -0.275 -10.124 -14.277 1.00 0.00 C ATOM 658 CD GLU A 47 -1.449 -10.949 -13.747 1.00 0.00 C ATOM 659 OE1 GLU A 47 -2.541 -10.357 -13.605 1.00 0.00 O ATOM 660 OE2 GLU A 47 -1.229 -12.154 -13.496 1.00 0.00 O ATOM 0 H GLU A 47 2.498 -8.099 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 47 0.479 -7.804 -14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.354 -9.781 -12.905 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.223 -9.386 -12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.626 -9.439 -15.049 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.456 -10.784 -14.744 1.00 0.00 H new ATOM 667 N HIS A 48 -0.020 -6.196 -11.927 1.00 0.00 N ATOM 668 CA HIS A 48 -0.913 -5.293 -11.221 1.00 0.00 C ATOM 669 C HIS A 48 -0.694 -3.863 -11.717 1.00 0.00 C ATOM 670 O HIS A 48 -1.204 -2.912 -11.126 1.00 0.00 O ATOM 671 CB HIS A 48 -0.737 -5.429 -9.707 1.00 0.00 C ATOM 672 CG HIS A 48 -1.368 -6.671 -9.124 1.00 0.00 C ATOM 673 ND1 HIS A 48 -2.352 -6.626 -8.152 1.00 0.00 N ATOM 674 CD2 HIS A 48 -1.147 -7.991 -9.387 1.00 0.00 C ATOM 675 CE1 HIS A 48 -2.699 -7.868 -7.850 1.00 0.00 C ATOM 676 NE2 HIS A 48 -1.950 -8.713 -8.616 1.00 0.00 N ATOM 0 H HIS A 48 0.949 -6.172 -11.609 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.948 -5.560 -11.434 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.328 -5.431 -9.474 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.167 -4.553 -9.221 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.744 -5.780 -7.738 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.438 -8.382 -10.102 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.444 -8.161 -7.125 1.00 0.00 H new ATOM 684 N GLU A 49 0.064 -3.755 -12.798 1.00 0.00 N ATOM 685 CA GLU A 49 0.356 -2.456 -13.381 1.00 0.00 C ATOM 686 C GLU A 49 -0.940 -1.751 -13.783 1.00 0.00 C ATOM 687 O GLU A 49 -0.967 -0.530 -13.932 1.00 0.00 O ATOM 688 CB GLU A 49 1.300 -2.592 -14.577 1.00 0.00 C ATOM 689 CG GLU A 49 0.582 -3.220 -15.773 1.00 0.00 C ATOM 690 CD GLU A 49 1.377 -3.008 -17.063 1.00 0.00 C ATOM 691 OE1 GLU A 49 1.473 -1.835 -17.484 1.00 0.00 O ATOM 692 OE2 GLU A 49 1.871 -4.023 -17.599 1.00 0.00 O ATOM 0 H GLU A 49 0.485 -4.546 -13.286 1.00 0.00 H new ATOM 0 HA GLU A 49 0.859 -1.847 -12.630 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.686 -1.611 -14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.158 -3.205 -14.300 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.443 -4.287 -15.599 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.411 -2.782 -15.877 1.00 0.00 H new ATOM 699 N ASP A 50 -1.985 -2.549 -13.946 1.00 0.00 N ATOM 700 CA ASP A 50 -3.282 -2.017 -14.328 1.00 0.00 C ATOM 701 C ASP A 50 -4.194 -1.980 -13.101 1.00 0.00 C ATOM 702 O ASP A 50 -5.416 -1.924 -13.233 1.00 0.00 O ATOM 703 CB ASP A 50 -3.949 -2.897 -15.387 1.00 0.00 C ATOM 704 CG ASP A 50 -4.181 -2.219 -16.739 1.00 0.00 C ATOM 705 OD1 ASP A 50 -3.732 -1.061 -16.877 1.00 0.00 O ATOM 706 OD2 ASP A 50 -4.802 -2.874 -17.603 1.00 0.00 O ATOM 0 H ASP A 50 -1.960 -3.561 -13.820 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.130 -1.017 -14.735 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.333 -3.782 -15.543 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.909 -3.240 -15.000 1.00 0.00 H new ATOM 711 N ASP A 51 -3.566 -2.014 -11.934 1.00 0.00 N ATOM 712 CA ASP A 51 -4.307 -1.985 -10.685 1.00 0.00 C ATOM 713 C ASP A 51 -5.207 -0.748 -10.658 1.00 0.00 C ATOM 714 O ASP A 51 -5.026 0.172 -11.454 1.00 0.00 O ATOM 715 CB ASP A 51 -3.360 -1.906 -9.485 1.00 0.00 C ATOM 716 CG ASP A 51 -3.110 -3.236 -8.771 1.00 0.00 C ATOM 717 OD1 ASP A 51 -3.504 -4.273 -9.347 1.00 0.00 O ATOM 718 OD2 ASP A 51 -2.530 -3.185 -7.664 1.00 0.00 O ATOM 0 H ASP A 51 -2.553 -2.061 -11.828 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.896 -2.900 -10.622 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.404 -1.506 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.767 -1.195 -8.766 1.00 0.00 H new ATOM 723 N PRO A 52 -6.182 -0.767 -9.711 1.00 0.00 N ATOM 724 CA PRO A 52 -7.111 0.341 -9.571 1.00 0.00 C ATOM 725 C PRO A 52 -6.436 1.540 -8.901 1.00 0.00 C ATOM 726 O PRO A 52 -6.860 2.680 -9.089 1.00 0.00 O ATOM 727 CB PRO A 52 -8.270 -0.217 -8.761 1.00 0.00 C ATOM 728 CG PRO A 52 -7.740 -1.470 -8.084 1.00 0.00 C ATOM 729 CD PRO A 52 -6.426 -1.841 -8.752 1.00 0.00 C ATOM 0 HA PRO A 52 -7.460 0.721 -10.531 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.617 0.508 -8.025 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.119 -0.450 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.590 -1.294 -7.019 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.458 -2.285 -8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.618 -1.913 -8.024 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.494 -2.808 -9.250 1.00 0.00 H new ATOM 737 N ASP A 53 -5.398 1.242 -8.134 1.00 0.00 N ATOM 738 CA ASP A 53 -4.661 2.282 -7.436 1.00 0.00 C ATOM 739 C ASP A 53 -3.334 1.709 -6.933 1.00 0.00 C ATOM 740 O ASP A 53 -3.313 0.917 -5.992 1.00 0.00 O ATOM 741 CB ASP A 53 -5.444 2.794 -6.225 1.00 0.00 C ATOM 742 CG ASP A 53 -5.848 1.719 -5.214 1.00 0.00 C ATOM 743 OD1 ASP A 53 -6.692 0.877 -5.589 1.00 0.00 O ATOM 744 OD2 ASP A 53 -5.305 1.765 -4.090 1.00 0.00 O ATOM 0 H ASP A 53 -5.050 0.296 -7.980 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.496 3.104 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.842 3.545 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.345 3.295 -6.579 1.00 0.00 H new ATOM 749 N VAL A 54 -2.260 2.133 -7.582 1.00 0.00 N ATOM 750 CA VAL A 54 -0.932 1.673 -7.212 1.00 0.00 C ATOM 751 C VAL A 54 0.024 2.867 -7.169 1.00 0.00 C ATOM 752 O VAL A 54 0.408 3.396 -8.211 1.00 0.00 O ATOM 753 CB VAL A 54 -0.473 0.573 -8.172 1.00 0.00 C ATOM 754 CG1 VAL A 54 0.936 0.857 -8.696 1.00 0.00 C ATOM 755 CG2 VAL A 54 -0.544 -0.802 -7.505 1.00 0.00 C ATOM 0 H VAL A 54 -2.282 2.790 -8.362 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.945 1.232 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.153 0.566 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.239 0.061 -9.376 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.942 1.809 -9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.633 0.904 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.212 -1.565 -8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.101 -0.814 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.571 -1.008 -7.204 1.00 0.00 H new ATOM 765 N ASP A 55 0.380 3.256 -5.954 1.00 0.00 N ATOM 766 CA ASP A 55 1.284 4.378 -5.762 1.00 0.00 C ATOM 767 C ASP A 55 0.496 5.685 -5.866 1.00 0.00 C ATOM 768 O ASP A 55 0.647 6.573 -5.028 1.00 0.00 O ATOM 769 CB ASP A 55 2.374 4.397 -6.836 1.00 0.00 C ATOM 770 CG ASP A 55 2.275 5.549 -7.837 1.00 0.00 C ATOM 771 OD1 ASP A 55 1.373 5.477 -8.699 1.00 0.00 O ATOM 772 OD2 ASP A 55 3.105 6.477 -7.718 1.00 0.00 O ATOM 0 H ASP A 55 0.059 2.815 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 55 1.746 4.275 -4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.346 4.445 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.340 3.455 -7.384 1.00 0.00 H new ATOM 777 N GLU A 56 -0.329 5.762 -6.900 1.00 0.00 N ATOM 778 CA GLU A 56 -1.141 6.946 -7.124 1.00 0.00 C ATOM 779 C GLU A 56 -1.606 7.530 -5.789 1.00 0.00 C ATOM 780 O GLU A 56 -1.786 6.799 -4.816 1.00 0.00 O ATOM 781 CB GLU A 56 -2.333 6.630 -8.029 1.00 0.00 C ATOM 782 CG GLU A 56 -2.262 7.434 -9.330 1.00 0.00 C ATOM 783 CD GLU A 56 -3.646 7.944 -9.735 1.00 0.00 C ATOM 784 OE1 GLU A 56 -4.340 8.474 -8.841 1.00 0.00 O ATOM 785 OE2 GLU A 56 -3.979 7.792 -10.931 1.00 0.00 O ATOM 0 H GLU A 56 -0.453 5.023 -7.592 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.529 7.692 -7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.349 5.564 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.262 6.858 -7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.582 8.277 -9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.853 6.811 -10.125 1.00 0.00 H new ATOM 792 N PRO A 57 -1.792 8.878 -5.785 1.00 0.00 N ATOM 793 CA PRO A 57 -2.233 9.568 -4.585 1.00 0.00 C ATOM 794 C PRO A 57 -3.723 9.327 -4.329 1.00 0.00 C ATOM 795 O PRO A 57 -4.307 8.395 -4.879 1.00 0.00 O ATOM 796 CB PRO A 57 -1.902 11.032 -4.829 1.00 0.00 C ATOM 797 CG PRO A 57 -1.718 11.172 -6.332 1.00 0.00 C ATOM 798 CD PRO A 57 -1.589 9.775 -6.918 1.00 0.00 C ATOM 0 HA PRO A 57 -1.736 9.205 -3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.703 11.679 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.997 11.322 -4.296 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.567 11.694 -6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.829 11.763 -6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.331 9.602 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.609 9.625 -7.372 1.00 0.00 H new ATOM 806 N LEU A 58 -4.293 10.183 -3.495 1.00 0.00 N ATOM 807 CA LEU A 58 -5.703 10.075 -3.159 1.00 0.00 C ATOM 808 C LEU A 58 -6.544 10.516 -4.359 1.00 0.00 C ATOM 809 O LEU A 58 -6.372 10.004 -5.464 1.00 0.00 O ATOM 810 CB LEU A 58 -6.009 10.849 -1.876 1.00 0.00 C ATOM 811 CG LEU A 58 -5.096 10.558 -0.683 1.00 0.00 C ATOM 812 CD1 LEU A 58 -4.523 11.852 -0.103 1.00 0.00 C ATOM 813 CD2 LEU A 58 -5.825 9.728 0.376 1.00 0.00 C ATOM 0 H LEU A 58 -3.804 10.955 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.966 9.038 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.956 11.915 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.037 10.635 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.254 9.962 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.878 11.617 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.944 12.369 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.339 12.494 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.154 9.535 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.698 10.276 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.143 8.781 -0.060 1.00 0.00 H new ATOM 825 N SER A 59 -7.434 11.463 -4.101 1.00 0.00 N ATOM 826 CA SER A 59 -8.302 11.979 -5.146 1.00 0.00 C ATOM 827 C SER A 59 -8.714 13.416 -4.822 1.00 0.00 C ATOM 828 O SER A 59 -8.836 13.782 -3.654 1.00 0.00 O ATOM 829 CB SER A 59 -9.541 11.098 -5.318 1.00 0.00 C ATOM 830 OG SER A 59 -9.371 10.134 -6.355 1.00 0.00 O ATOM 0 H SER A 59 -7.573 11.886 -3.183 1.00 0.00 H new ATOM 0 HA SER A 59 -7.749 11.969 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.756 10.587 -4.379 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.403 11.725 -5.544 1.00 0.00 H new ATOM 0 HG SER A 59 -8.431 9.859 -6.395 1.00 0.00 H new ATOM 836 N GLY A 60 -8.917 14.192 -5.876 1.00 0.00 N ATOM 837 CA GLY A 60 -9.312 15.581 -5.718 1.00 0.00 C ATOM 838 C GLY A 60 -8.441 16.500 -6.576 1.00 0.00 C ATOM 839 O GLY A 60 -7.850 16.060 -7.561 1.00 0.00 O ATOM 0 H GLY A 60 -8.815 13.885 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.358 15.699 -5.999 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.229 15.869 -4.670 1.00 0.00 H new ATOM 843 N PRO A 61 -8.388 17.794 -6.161 1.00 0.00 N ATOM 844 CA PRO A 61 -7.599 18.779 -6.880 1.00 0.00 C ATOM 845 C PRO A 61 -6.105 18.593 -6.604 1.00 0.00 C ATOM 846 O PRO A 61 -5.617 18.958 -5.536 1.00 0.00 O ATOM 847 CB PRO A 61 -8.126 20.125 -6.410 1.00 0.00 C ATOM 848 CG PRO A 61 -8.864 19.853 -5.110 1.00 0.00 C ATOM 849 CD PRO A 61 -9.075 18.351 -4.999 1.00 0.00 C ATOM 0 HA PRO A 61 -7.694 18.685 -7.962 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.310 20.831 -6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.792 20.565 -7.153 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.289 20.222 -4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.821 20.375 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.661 17.960 -4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.135 18.098 -5.007 1.00 0.00 H new ATOM 857 N SER A 62 -5.421 18.025 -7.586 1.00 0.00 N ATOM 858 CA SER A 62 -3.993 17.786 -7.463 1.00 0.00 C ATOM 859 C SER A 62 -3.255 18.399 -8.654 1.00 0.00 C ATOM 860 O SER A 62 -2.339 19.201 -8.476 1.00 0.00 O ATOM 861 CB SER A 62 -3.692 16.289 -7.365 1.00 0.00 C ATOM 862 OG SER A 62 -3.236 15.920 -6.067 1.00 0.00 O ATOM 0 H SER A 62 -5.829 17.723 -8.471 1.00 0.00 H new ATOM 0 HA SER A 62 -3.645 18.260 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.591 15.722 -7.608 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.937 16.022 -8.104 1.00 0.00 H new ATOM 0 HG SER A 62 -3.056 14.957 -6.045 1.00 0.00 H new ATOM 868 N SER A 63 -3.681 17.999 -9.843 1.00 0.00 N ATOM 869 CA SER A 63 -3.071 18.500 -11.064 1.00 0.00 C ATOM 870 C SER A 63 -1.599 18.088 -11.121 1.00 0.00 C ATOM 871 O SER A 63 -0.944 17.967 -10.086 1.00 0.00 O ATOM 872 CB SER A 63 -3.201 20.021 -11.160 1.00 0.00 C ATOM 873 OG SER A 63 -4.535 20.426 -11.456 1.00 0.00 O ATOM 0 H SER A 63 -4.441 17.334 -9.987 1.00 0.00 H new ATOM 0 HA SER A 63 -3.597 18.063 -11.913 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.886 20.472 -10.219 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.529 20.394 -11.933 1.00 0.00 H new ATOM 0 HG SER A 63 -4.576 21.404 -11.507 1.00 0.00 H new ATOM 879 N GLY A 64 -1.121 17.883 -12.340 1.00 0.00 N ATOM 880 CA GLY A 64 0.261 17.487 -12.545 1.00 0.00 C ATOM 881 C GLY A 64 1.176 18.711 -12.624 1.00 0.00 C ATOM 882 O GLY A 64 1.138 19.576 -11.751 1.00 0.00 O ATOM 0 H GLY A 64 -1.667 17.984 -13.196 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.583 16.840 -11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.344 16.906 -13.464 1.00 0.00 H new TER 886 GLY A 64