USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 448 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 39 HIS : +bothHN:sc= 0.871 K(o=1,f=-4.7!) USER MOD Set 1.2: A 52 SER OG : rot -130:sc= 0.133 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.114 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -159:sc= 1.22 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 147:sc= -1.72 (180deg=-2.54!) USER MOD Single : A 13 ASN : amide:sc= -0.0641 X(o=-0.064,f=0.018) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.661 K(o=-0.66,f=-2.3!) USER MOD Single : A 28 SER OG : rot 92:sc= 1.25 USER MOD Single : A 29 SER OG : rot 102:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= -0.767 (180deg=-2.5!) USER MOD Single : A 33 GLN : amide:sc= -0.508 K(o=-0.51,f=-4.4!) USER MOD Single : A 34 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00703 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 1.18 K(o=1.2,f=-0.5) USER MOD Single : A 63 ASN : amide:sc= -0.0508 X(o=-0.051,f=-0.14) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.756 2.606 -17.745 1.00 0.00 N ATOM 2 CA GLY A 1 0.346 2.430 -18.143 1.00 0.00 C ATOM 3 C GLY A 1 -0.520 3.564 -17.664 1.00 0.00 C ATOM 4 O GLY A 1 -0.024 4.515 -17.057 1.00 0.00 O ATOM 0 H1 GLY A 1 2.358 2.612 -18.593 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.864 3.507 -17.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.042 1.823 -17.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.282 2.358 -19.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.030 1.490 -17.739 1.00 0.00 H new ATOM 10 N SER A 2 -1.812 3.474 -17.927 1.00 0.00 N ATOM 11 CA SER A 2 -2.750 4.497 -17.512 1.00 0.00 C ATOM 12 C SER A 2 -3.111 4.316 -16.040 1.00 0.00 C ATOM 13 O SER A 2 -4.199 3.831 -15.703 1.00 0.00 O ATOM 14 CB SER A 2 -4.011 4.452 -18.392 1.00 0.00 C ATOM 15 OG SER A 2 -4.917 5.498 -18.063 1.00 0.00 O ATOM 0 H SER A 2 -2.236 2.695 -18.431 1.00 0.00 H new ATOM 0 HA SER A 2 -2.282 5.474 -17.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.726 4.533 -19.441 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.506 3.489 -18.270 1.00 0.00 H new ATOM 0 HG SER A 2 -5.706 5.441 -18.641 1.00 0.00 H new ATOM 21 N ALA A 3 -2.186 4.673 -15.169 1.00 0.00 N ATOM 22 CA ALA A 3 -2.397 4.533 -13.751 1.00 0.00 C ATOM 23 C ALA A 3 -1.609 5.565 -12.969 1.00 0.00 C ATOM 24 O ALA A 3 -0.458 5.862 -13.286 1.00 0.00 O ATOM 25 CB ALA A 3 -2.028 3.131 -13.295 1.00 0.00 C ATOM 0 H ALA A 3 -1.279 5.063 -15.426 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.456 4.701 -13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.193 3.042 -12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.648 2.403 -13.819 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.978 2.941 -13.517 1.00 0.00 H new ATOM 31 N LEU A 4 -2.244 6.092 -11.950 1.00 0.00 N ATOM 32 CA LEU A 4 -1.622 7.060 -11.064 1.00 0.00 C ATOM 33 C LEU A 4 -0.813 6.336 -10.018 1.00 0.00 C ATOM 34 O LEU A 4 0.248 6.790 -9.590 1.00 0.00 O ATOM 35 CB LEU A 4 -2.673 7.945 -10.373 1.00 0.00 C ATOM 36 CG LEU A 4 -3.653 7.256 -9.405 1.00 0.00 C ATOM 37 CD1 LEU A 4 -4.266 8.275 -8.461 1.00 0.00 C ATOM 38 CD2 LEU A 4 -4.756 6.534 -10.166 1.00 0.00 C ATOM 0 H LEU A 4 -3.208 5.865 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.976 7.702 -11.663 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.147 8.725 -9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.258 8.441 -11.148 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.092 6.521 -8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.956 7.774 -7.783 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.477 8.757 -7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.805 9.027 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.434 6.056 -9.458 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.310 7.251 -10.771 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.315 5.776 -10.814 1.00 0.00 H new ATOM 50 N ASP A 5 -1.327 5.207 -9.621 1.00 0.00 N ATOM 51 CA ASP A 5 -0.719 4.390 -8.615 1.00 0.00 C ATOM 52 C ASP A 5 0.238 3.398 -9.234 1.00 0.00 C ATOM 53 O ASP A 5 -0.167 2.554 -10.032 1.00 0.00 O ATOM 54 CB ASP A 5 -1.796 3.612 -7.875 1.00 0.00 C ATOM 55 CG ASP A 5 -2.725 4.467 -7.060 1.00 0.00 C ATOM 56 OD1 ASP A 5 -2.334 4.906 -5.956 1.00 0.00 O ATOM 57 OD2 ASP A 5 -3.881 4.672 -7.504 1.00 0.00 O ATOM 0 H ASP A 5 -2.195 4.824 -9.995 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.174 5.042 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.382 3.047 -8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.317 2.887 -7.217 1.00 0.00 H new ATOM 62 N PHE A 6 1.500 3.496 -8.881 1.00 0.00 N ATOM 63 CA PHE A 6 2.468 2.509 -9.311 1.00 0.00 C ATOM 64 C PHE A 6 2.681 1.555 -8.156 1.00 0.00 C ATOM 65 O PHE A 6 3.036 0.383 -8.329 1.00 0.00 O ATOM 66 CB PHE A 6 3.794 3.157 -9.759 1.00 0.00 C ATOM 67 CG PHE A 6 4.615 3.794 -8.663 1.00 0.00 C ATOM 68 CD1 PHE A 6 4.195 4.958 -8.034 1.00 0.00 C ATOM 69 CD2 PHE A 6 5.816 3.224 -8.270 1.00 0.00 C ATOM 70 CE1 PHE A 6 4.959 5.536 -7.035 1.00 0.00 C ATOM 71 CE2 PHE A 6 6.584 3.798 -7.276 1.00 0.00 C ATOM 72 CZ PHE A 6 6.157 4.952 -6.657 1.00 0.00 C ATOM 0 H PHE A 6 1.880 4.244 -8.301 1.00 0.00 H new ATOM 0 HA PHE A 6 2.092 1.975 -10.183 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.402 2.396 -10.248 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.571 3.916 -10.509 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.263 5.417 -8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.156 2.317 -8.748 1.00 0.00 H new ATOM 0 HE1 PHE A 6 4.622 6.441 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.519 3.342 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.755 5.401 -5.878 1.00 0.00 H new ATOM 82 N THR A 7 2.450 2.087 -6.969 1.00 0.00 N ATOM 83 CA THR A 7 2.484 1.347 -5.745 1.00 0.00 C ATOM 84 C THR A 7 1.146 1.519 -5.039 1.00 0.00 C ATOM 85 O THR A 7 0.356 2.380 -5.417 1.00 0.00 O ATOM 86 CB THR A 7 3.598 1.853 -4.822 1.00 0.00 C ATOM 87 OG1 THR A 7 3.532 3.280 -4.742 1.00 0.00 O ATOM 88 CG2 THR A 7 4.968 1.423 -5.325 1.00 0.00 C ATOM 0 H THR A 7 2.228 3.074 -6.839 1.00 0.00 H new ATOM 0 HA THR A 7 2.676 0.299 -5.975 1.00 0.00 H new ATOM 0 HB THR A 7 3.454 1.419 -3.833 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.400 3.632 -4.455 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.737 1.797 -4.650 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.016 0.335 -5.363 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.133 1.829 -6.323 1.00 0.00 H new ATOM 96 N SER A 8 0.894 0.730 -4.018 1.00 0.00 N ATOM 97 CA SER A 8 -0.350 0.846 -3.268 1.00 0.00 C ATOM 98 C SER A 8 -0.290 2.024 -2.288 1.00 0.00 C ATOM 99 O SER A 8 -1.313 2.515 -1.821 1.00 0.00 O ATOM 100 CB SER A 8 -0.613 -0.452 -2.511 1.00 0.00 C ATOM 101 OG SER A 8 -0.443 -1.570 -3.364 1.00 0.00 O ATOM 0 H SER A 8 1.527 0.003 -3.684 1.00 0.00 H new ATOM 0 HA SER A 8 -1.164 1.029 -3.969 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.067 -0.529 -1.662 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.626 -0.446 -2.108 1.00 0.00 H new ATOM 0 HG SER A 8 -0.614 -2.394 -2.862 1.00 0.00 H new ATOM 107 N CYS A 9 0.920 2.480 -1.996 1.00 0.00 N ATOM 108 CA CYS A 9 1.117 3.541 -1.022 1.00 0.00 C ATOM 109 C CYS A 9 1.391 4.892 -1.656 1.00 0.00 C ATOM 110 O CYS A 9 1.827 5.811 -0.978 1.00 0.00 O ATOM 111 CB CYS A 9 2.237 3.180 -0.059 1.00 0.00 C ATOM 112 SG CYS A 9 1.806 1.850 1.097 1.00 0.00 S ATOM 0 H CYS A 9 1.779 2.131 -2.420 1.00 0.00 H new ATOM 0 HA CYS A 9 0.178 3.633 -0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.114 2.881 -0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.515 4.067 0.510 1.00 0.00 H new ATOM 117 N ALA A 10 1.132 5.021 -2.943 1.00 0.00 N ATOM 118 CA ALA A 10 1.325 6.303 -3.630 1.00 0.00 C ATOM 119 C ALA A 10 0.436 7.390 -3.006 1.00 0.00 C ATOM 120 O ALA A 10 0.816 8.565 -2.912 1.00 0.00 O ATOM 121 CB ALA A 10 1.034 6.153 -5.116 1.00 0.00 C ATOM 0 H ALA A 10 0.790 4.266 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 10 2.365 6.609 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.181 7.111 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.709 5.413 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.003 5.827 -5.254 1.00 0.00 H new ATOM 127 N ARG A 11 -0.717 6.966 -2.512 1.00 0.00 N ATOM 128 CA ARG A 11 -1.670 7.868 -1.890 1.00 0.00 C ATOM 129 C ARG A 11 -1.124 8.477 -0.600 1.00 0.00 C ATOM 130 O ARG A 11 -1.726 9.392 -0.050 1.00 0.00 O ATOM 131 CB ARG A 11 -3.024 7.187 -1.643 1.00 0.00 C ATOM 132 CG ARG A 11 -2.940 5.702 -1.351 1.00 0.00 C ATOM 133 CD ARG A 11 -3.483 4.892 -2.513 1.00 0.00 C ATOM 134 NE ARG A 11 -4.924 5.118 -2.698 1.00 0.00 N ATOM 135 CZ ARG A 11 -5.547 5.128 -3.878 1.00 0.00 C ATOM 136 NH1 ARG A 11 -4.858 5.011 -4.996 1.00 0.00 N ATOM 137 NH2 ARG A 11 -6.866 5.287 -3.932 1.00 0.00 N ATOM 0 H ARG A 11 -1.016 5.991 -2.531 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.831 8.683 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.517 7.681 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.656 7.337 -2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.904 5.423 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.504 5.472 -0.447 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.951 5.161 -3.426 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.299 3.832 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.488 5.279 -1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.843 4.912 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.340 5.019 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.402 5.401 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.342 5.295 -4.834 1.00 0.00 H new ATOM 151 N MET A 12 0.017 7.962 -0.104 1.00 0.00 N ATOM 152 CA MET A 12 0.634 8.498 1.116 1.00 0.00 C ATOM 153 C MET A 12 0.878 10.002 1.008 1.00 0.00 C ATOM 154 O MET A 12 1.011 10.681 2.019 1.00 0.00 O ATOM 155 CB MET A 12 1.965 7.803 1.446 1.00 0.00 C ATOM 156 CG MET A 12 3.110 8.180 0.509 1.00 0.00 C ATOM 157 SD MET A 12 4.741 7.850 1.214 1.00 0.00 S ATOM 158 CE MET A 12 4.666 6.084 1.461 1.00 0.00 C ATOM 0 H MET A 12 0.523 7.184 -0.527 1.00 0.00 H new ATOM 0 HA MET A 12 -0.075 8.302 1.920 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.249 8.051 2.469 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.819 6.724 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.005 7.626 -0.424 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.035 9.239 0.261 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.657 5.654 1.316 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.323 5.873 2.474 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.972 5.645 0.744 1.00 0.00 H new ATOM 168 N ASN A 13 0.920 10.533 -0.218 1.00 0.00 N ATOM 169 CA ASN A 13 1.160 11.960 -0.392 1.00 0.00 C ATOM 170 C ASN A 13 -0.078 12.647 -0.951 1.00 0.00 C ATOM 171 O ASN A 13 0.006 13.695 -1.590 1.00 0.00 O ATOM 172 CB ASN A 13 2.398 12.239 -1.269 1.00 0.00 C ATOM 173 CG ASN A 13 2.336 11.599 -2.638 1.00 0.00 C ATOM 174 OD1 ASN A 13 1.753 12.148 -3.569 1.00 0.00 O ATOM 175 ND2 ASN A 13 2.976 10.454 -2.779 1.00 0.00 N ATOM 0 H ASN A 13 0.794 10.007 -1.083 1.00 0.00 H new ATOM 0 HA ASN A 13 1.371 12.378 0.592 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.512 13.317 -1.387 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.287 11.880 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.999 9.991 -3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.448 10.032 -1.979 1.00 0.00 H new ATOM 182 N ASP A 14 -1.239 12.063 -0.672 1.00 0.00 N ATOM 183 CA ASP A 14 -2.519 12.619 -1.112 1.00 0.00 C ATOM 184 C ASP A 14 -3.199 13.276 0.084 1.00 0.00 C ATOM 185 O ASP A 14 -4.406 13.478 0.101 1.00 0.00 O ATOM 186 CB ASP A 14 -3.431 11.505 -1.675 1.00 0.00 C ATOM 187 CG ASP A 14 -4.603 12.045 -2.488 1.00 0.00 C ATOM 188 OD1 ASP A 14 -4.409 12.361 -3.687 1.00 0.00 O ATOM 189 OD2 ASP A 14 -5.728 12.139 -1.942 1.00 0.00 O ATOM 0 H ASP A 14 -1.322 11.197 -0.139 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.343 13.351 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.837 10.840 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.815 10.906 -0.849 1.00 0.00 H new ATOM 194 N GLY A 15 -2.406 13.634 1.075 1.00 0.00 N ATOM 195 CA GLY A 15 -2.954 14.195 2.288 1.00 0.00 C ATOM 196 C GLY A 15 -3.077 13.156 3.378 1.00 0.00 C ATOM 197 O GLY A 15 -2.798 11.970 3.146 1.00 0.00 O ATOM 0 H GLY A 15 -1.390 13.547 1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.317 15.010 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.935 14.623 2.080 1.00 0.00 H new ATOM 201 N ALA A 16 -3.474 13.589 4.568 1.00 0.00 N ATOM 202 CA ALA A 16 -3.634 12.696 5.718 1.00 0.00 C ATOM 203 C ALA A 16 -4.588 11.541 5.417 1.00 0.00 C ATOM 204 O ALA A 16 -4.376 10.416 5.870 1.00 0.00 O ATOM 205 CB ALA A 16 -4.120 13.479 6.925 1.00 0.00 C ATOM 0 H ALA A 16 -3.694 14.565 4.767 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.657 12.264 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.235 12.805 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.394 14.253 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.080 13.942 6.696 1.00 0.00 H new ATOM 211 N LEU A 17 -5.629 11.821 4.645 1.00 0.00 N ATOM 212 CA LEU A 17 -6.600 10.800 4.284 1.00 0.00 C ATOM 213 C LEU A 17 -5.933 9.781 3.366 1.00 0.00 C ATOM 214 O LEU A 17 -6.093 8.574 3.541 1.00 0.00 O ATOM 215 CB LEU A 17 -7.816 11.442 3.596 1.00 0.00 C ATOM 216 CG LEU A 17 -9.172 10.727 3.769 1.00 0.00 C ATOM 217 CD1 LEU A 17 -9.166 9.354 3.118 1.00 0.00 C ATOM 218 CD2 LEU A 17 -9.530 10.616 5.239 1.00 0.00 C ATOM 0 H LEU A 17 -5.822 12.745 4.258 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.952 10.294 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.919 12.461 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.604 11.514 2.529 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.930 11.328 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.137 8.880 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.965 9.458 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.391 8.738 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.489 10.109 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.760 10.046 5.759 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.598 11.613 5.673 1.00 0.00 H new ATOM 230 N GLY A 18 -5.156 10.288 2.410 1.00 0.00 N ATOM 231 CA GLY A 18 -4.427 9.435 1.492 1.00 0.00 C ATOM 232 C GLY A 18 -3.498 8.495 2.221 1.00 0.00 C ATOM 233 O GLY A 18 -3.334 7.341 1.824 1.00 0.00 O ATOM 0 H GLY A 18 -5.019 11.287 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.132 8.858 0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.852 10.052 0.801 1.00 0.00 H new ATOM 237 N ALA A 19 -2.883 8.999 3.289 1.00 0.00 N ATOM 238 CA ALA A 19 -1.974 8.212 4.110 1.00 0.00 C ATOM 239 C ALA A 19 -2.654 6.964 4.637 1.00 0.00 C ATOM 240 O ALA A 19 -2.093 5.867 4.603 1.00 0.00 O ATOM 241 CB ALA A 19 -1.441 9.055 5.257 1.00 0.00 C ATOM 0 H ALA A 19 -3.002 9.961 3.606 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.137 7.897 3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.762 8.456 5.864 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.906 9.916 4.857 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.272 9.398 5.873 1.00 0.00 H new ATOM 247 N LYS A 20 -3.865 7.140 5.105 1.00 0.00 N ATOM 248 CA LYS A 20 -4.645 6.053 5.652 1.00 0.00 C ATOM 249 C LYS A 20 -5.084 5.088 4.576 1.00 0.00 C ATOM 250 O LYS A 20 -5.083 3.878 4.789 1.00 0.00 O ATOM 251 CB LYS A 20 -5.824 6.615 6.385 1.00 0.00 C ATOM 252 CG LYS A 20 -5.398 7.509 7.502 1.00 0.00 C ATOM 253 CD LYS A 20 -6.518 8.357 7.984 1.00 0.00 C ATOM 254 CE LYS A 20 -5.988 9.687 8.412 1.00 0.00 C ATOM 255 NZ LYS A 20 -7.041 10.532 9.011 1.00 0.00 N ATOM 0 H LYS A 20 -4.340 8.042 5.118 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.023 5.489 6.347 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.453 7.172 5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.430 5.800 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.017 6.906 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.578 8.145 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.257 8.486 7.193 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.024 7.870 8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.184 9.542 9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.556 10.200 7.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.633 11.446 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.796 10.691 8.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.436 10.055 9.846 1.00 0.00 H new ATOM 269 N VAL A 21 -5.468 5.614 3.427 1.00 0.00 N ATOM 270 CA VAL A 21 -5.835 4.769 2.306 1.00 0.00 C ATOM 271 C VAL A 21 -4.638 3.912 1.910 1.00 0.00 C ATOM 272 O VAL A 21 -4.762 2.707 1.675 1.00 0.00 O ATOM 273 CB VAL A 21 -6.285 5.608 1.088 1.00 0.00 C ATOM 274 CG1 VAL A 21 -6.798 4.703 -0.017 1.00 0.00 C ATOM 275 CG2 VAL A 21 -7.349 6.613 1.496 1.00 0.00 C ATOM 0 H VAL A 21 -5.534 6.616 3.246 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.670 4.140 2.613 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.424 6.159 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.111 5.309 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.005 4.023 -0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.647 4.126 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.653 7.194 0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.213 6.085 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.945 7.282 2.256 1.00 0.00 H new ATOM 285 N ALA A 22 -3.483 4.556 1.849 1.00 0.00 N ATOM 286 CA ALA A 22 -2.232 3.892 1.539 1.00 0.00 C ATOM 287 C ALA A 22 -1.943 2.769 2.525 1.00 0.00 C ATOM 288 O ALA A 22 -1.723 1.625 2.125 1.00 0.00 O ATOM 289 CB ALA A 22 -1.093 4.902 1.550 1.00 0.00 C ATOM 0 H ALA A 22 -3.389 5.558 2.014 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.318 3.453 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.156 4.396 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.284 5.674 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.022 5.360 2.537 1.00 0.00 H new ATOM 295 N GLN A 23 -1.960 3.096 3.814 1.00 0.00 N ATOM 296 CA GLN A 23 -1.657 2.120 4.848 1.00 0.00 C ATOM 297 C GLN A 23 -2.661 0.970 4.825 1.00 0.00 C ATOM 298 O GLN A 23 -2.283 -0.183 4.955 1.00 0.00 O ATOM 299 CB GLN A 23 -1.592 2.772 6.237 1.00 0.00 C ATOM 300 CG GLN A 23 -2.938 3.137 6.831 1.00 0.00 C ATOM 301 CD GLN A 23 -2.821 3.848 8.156 1.00 0.00 C ATOM 302 OE1 GLN A 23 -2.724 5.077 8.210 1.00 0.00 O ATOM 303 NE2 GLN A 23 -2.838 3.094 9.233 1.00 0.00 N ATOM 0 H GLN A 23 -2.180 4.028 4.164 1.00 0.00 H new ATOM 0 HA GLN A 23 -0.670 1.709 4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.082 2.091 6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.983 3.674 6.172 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -3.479 3.773 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.530 2.231 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.920 2.081 9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.770 3.522 10.156 1.00 0.00 H new ATOM 312 N ALA A 24 -3.935 1.292 4.615 1.00 0.00 N ATOM 313 CA ALA A 24 -4.986 0.282 4.580 1.00 0.00 C ATOM 314 C ALA A 24 -4.757 -0.687 3.439 1.00 0.00 C ATOM 315 O ALA A 24 -4.797 -1.910 3.625 1.00 0.00 O ATOM 316 CB ALA A 24 -6.351 0.940 4.443 1.00 0.00 C ATOM 0 H ALA A 24 -4.263 2.246 4.466 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.957 -0.273 5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.124 0.172 4.418 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.523 1.601 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.385 1.519 3.520 1.00 0.00 H new ATOM 322 N ALA A 25 -4.511 -0.141 2.259 1.00 0.00 N ATOM 323 CA ALA A 25 -4.248 -0.944 1.079 1.00 0.00 C ATOM 324 C ALA A 25 -2.981 -1.767 1.264 1.00 0.00 C ATOM 325 O ALA A 25 -2.893 -2.905 0.802 1.00 0.00 O ATOM 326 CB ALA A 25 -4.133 -0.059 -0.154 1.00 0.00 C ATOM 0 H ALA A 25 -4.488 0.865 2.094 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.085 -1.628 0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.936 -0.678 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.065 0.487 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.315 0.649 -0.019 1.00 0.00 H new ATOM 332 N CYS A 26 -2.016 -1.195 1.968 1.00 0.00 N ATOM 333 CA CYS A 26 -0.742 -1.847 2.197 1.00 0.00 C ATOM 334 C CYS A 26 -0.894 -3.013 3.169 1.00 0.00 C ATOM 335 O CYS A 26 -0.542 -4.147 2.846 1.00 0.00 O ATOM 336 CB CYS A 26 0.275 -0.837 2.739 1.00 0.00 C ATOM 337 SG CYS A 26 1.968 -1.482 2.874 1.00 0.00 S ATOM 0 H CYS A 26 -2.096 -0.271 2.393 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.382 -2.240 1.246 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.283 0.038 2.089 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.053 -0.501 3.723 1.00 0.00 H new ATOM 342 N ILE A 27 -1.466 -2.735 4.343 1.00 0.00 N ATOM 343 CA ILE A 27 -1.643 -3.749 5.378 1.00 0.00 C ATOM 344 C ILE A 27 -2.402 -4.951 4.834 1.00 0.00 C ATOM 345 O ILE A 27 -1.956 -6.094 4.971 1.00 0.00 O ATOM 346 CB ILE A 27 -2.418 -3.179 6.593 1.00 0.00 C ATOM 347 CG1 ILE A 27 -1.670 -1.989 7.204 1.00 0.00 C ATOM 348 CG2 ILE A 27 -2.652 -4.261 7.641 1.00 0.00 C ATOM 349 CD1 ILE A 27 -2.453 -1.257 8.270 1.00 0.00 C ATOM 0 H ILE A 27 -1.815 -1.811 4.598 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.648 -4.058 5.698 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.389 -2.829 6.242 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.733 -2.343 7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.412 -1.288 6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.198 -3.838 8.485 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.233 -5.072 7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.693 -4.647 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.858 -0.429 8.654 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.378 -0.871 7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.688 -1.943 9.084 1.00 0.00 H new ATOM 361 N SER A 28 -3.527 -4.683 4.187 1.00 0.00 N ATOM 362 CA SER A 28 -4.359 -5.737 3.638 1.00 0.00 C ATOM 363 C SER A 28 -3.578 -6.585 2.622 1.00 0.00 C ATOM 364 O SER A 28 -3.576 -7.816 2.704 1.00 0.00 O ATOM 365 CB SER A 28 -5.611 -5.146 3.001 1.00 0.00 C ATOM 366 OG SER A 28 -6.206 -4.177 3.858 1.00 0.00 O ATOM 0 H SER A 28 -3.883 -3.740 4.030 1.00 0.00 H new ATOM 0 HA SER A 28 -4.662 -6.392 4.454 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.356 -4.686 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.327 -5.940 2.791 1.00 0.00 H new ATOM 0 HG SER A 28 -5.849 -3.289 3.646 1.00 0.00 H new ATOM 372 N SER A 29 -2.886 -5.919 1.695 1.00 0.00 N ATOM 373 CA SER A 29 -2.107 -6.610 0.669 1.00 0.00 C ATOM 374 C SER A 29 -0.989 -7.445 1.291 1.00 0.00 C ATOM 375 O SER A 29 -0.656 -8.527 0.795 1.00 0.00 O ATOM 376 CB SER A 29 -1.529 -5.610 -0.334 1.00 0.00 C ATOM 377 OG SER A 29 -2.566 -4.863 -0.958 1.00 0.00 O ATOM 0 H SER A 29 -2.850 -4.901 1.635 1.00 0.00 H new ATOM 0 HA SER A 29 -2.779 -7.286 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.843 -4.933 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.951 -6.140 -1.091 1.00 0.00 H new ATOM 0 HG SER A 29 -2.620 -3.974 -0.549 1.00 0.00 H new ATOM 383 N CYS A 30 -0.413 -6.944 2.374 1.00 0.00 N ATOM 384 CA CYS A 30 0.640 -7.644 3.063 1.00 0.00 C ATOM 385 C CYS A 30 0.116 -8.920 3.685 1.00 0.00 C ATOM 386 O CYS A 30 0.708 -9.985 3.533 1.00 0.00 O ATOM 387 CB CYS A 30 1.270 -6.739 4.102 1.00 0.00 C ATOM 388 SG CYS A 30 2.250 -5.400 3.375 1.00 0.00 S ATOM 0 H CYS A 30 -0.666 -6.048 2.790 1.00 0.00 H new ATOM 0 HA CYS A 30 1.410 -7.923 2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.486 -6.310 4.726 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.907 -7.334 4.756 1.00 0.00 H new ATOM 393 N LYS A 31 -1.001 -8.814 4.372 1.00 0.00 N ATOM 394 CA LYS A 31 -1.636 -9.966 4.989 1.00 0.00 C ATOM 395 C LYS A 31 -1.909 -11.067 3.955 1.00 0.00 C ATOM 396 O LYS A 31 -1.709 -12.254 4.236 1.00 0.00 O ATOM 397 CB LYS A 31 -2.931 -9.526 5.663 1.00 0.00 C ATOM 398 CG LYS A 31 -2.715 -8.513 6.785 1.00 0.00 C ATOM 399 CD LYS A 31 -3.930 -7.605 7.004 1.00 0.00 C ATOM 400 CE LYS A 31 -5.141 -8.318 7.602 1.00 0.00 C ATOM 401 NZ LYS A 31 -5.751 -9.311 6.683 1.00 0.00 N ATOM 0 H LYS A 31 -1.495 -7.934 4.520 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.962 -10.382 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.593 -9.092 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.438 -10.402 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.492 -9.044 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.845 -7.899 6.552 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.643 -6.785 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.217 -7.163 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.840 -8.821 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.892 -7.577 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.780 -9.333 6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.547 -9.044 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.354 -10.253 6.876 1.00 0.00 H new ATOM 415 N PHE A 32 -2.339 -10.666 2.762 1.00 0.00 N ATOM 416 CA PHE A 32 -2.613 -11.602 1.678 1.00 0.00 C ATOM 417 C PHE A 32 -1.366 -12.382 1.239 1.00 0.00 C ATOM 418 O PHE A 32 -1.464 -13.537 0.836 1.00 0.00 O ATOM 419 CB PHE A 32 -3.215 -10.866 0.487 1.00 0.00 C ATOM 420 CG PHE A 32 -4.674 -10.539 0.649 1.00 0.00 C ATOM 421 CD1 PHE A 32 -5.590 -11.536 0.944 1.00 0.00 C ATOM 422 CD2 PHE A 32 -5.127 -9.239 0.514 1.00 0.00 C ATOM 423 CE1 PHE A 32 -6.930 -11.240 1.098 1.00 0.00 C ATOM 424 CE2 PHE A 32 -6.465 -8.937 0.668 1.00 0.00 C ATOM 425 CZ PHE A 32 -7.367 -9.939 0.960 1.00 0.00 C ATOM 0 H PHE A 32 -2.506 -9.689 2.521 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.328 -12.330 2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.661 -9.941 0.325 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.086 -11.475 -0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.252 -12.556 1.055 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.425 -8.451 0.285 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.635 -12.026 1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.805 -7.918 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.414 -9.705 1.080 1.00 0.00 H new ATOM 435 N GLN A 33 -0.204 -11.756 1.328 1.00 0.00 N ATOM 436 CA GLN A 33 1.036 -12.396 0.895 1.00 0.00 C ATOM 437 C GLN A 33 1.797 -12.998 2.078 1.00 0.00 C ATOM 438 O GLN A 33 3.023 -13.181 2.015 1.00 0.00 O ATOM 439 CB GLN A 33 1.910 -11.405 0.127 1.00 0.00 C ATOM 440 CG GLN A 33 2.296 -10.177 0.917 1.00 0.00 C ATOM 441 CD GLN A 33 3.037 -9.164 0.082 1.00 0.00 C ATOM 442 OE1 GLN A 33 4.261 -9.218 -0.037 1.00 0.00 O ATOM 443 NE2 GLN A 33 2.303 -8.234 -0.499 1.00 0.00 N ATOM 0 H GLN A 33 -0.089 -10.811 1.693 1.00 0.00 H new ATOM 0 HA GLN A 33 0.775 -13.215 0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.817 -11.914 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.380 -11.092 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.398 -9.717 1.329 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.919 -10.473 1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.291 -8.229 -0.372 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.748 -7.520 -1.076 1.00 0.00 H new ATOM 452 N ASN A 34 1.053 -13.302 3.145 1.00 0.00 N ATOM 453 CA ASN A 34 1.586 -13.957 4.348 1.00 0.00 C ATOM 454 C ASN A 34 2.468 -13.010 5.157 1.00 0.00 C ATOM 455 O ASN A 34 3.538 -13.390 5.653 1.00 0.00 O ATOM 456 CB ASN A 34 2.367 -15.238 3.990 1.00 0.00 C ATOM 457 CG ASN A 34 2.625 -16.127 5.199 1.00 0.00 C ATOM 458 OD1 ASN A 34 1.831 -16.170 6.142 1.00 0.00 O ATOM 459 ND2 ASN A 34 3.736 -16.844 5.179 1.00 0.00 N ATOM 0 H ASN A 34 0.055 -13.100 3.201 1.00 0.00 H new ATOM 0 HA ASN A 34 0.731 -14.236 4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.809 -15.802 3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.319 -14.963 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.960 -17.459 5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.369 -16.782 4.381 1.00 0.00 H new ATOM 466 N CYS A 35 2.028 -11.779 5.289 1.00 0.00 N ATOM 467 CA CYS A 35 2.722 -10.822 6.107 1.00 0.00 C ATOM 468 C CYS A 35 1.833 -10.369 7.245 1.00 0.00 C ATOM 469 O CYS A 35 0.644 -10.108 7.050 1.00 0.00 O ATOM 470 CB CYS A 35 3.198 -9.636 5.282 1.00 0.00 C ATOM 471 SG CYS A 35 4.553 -10.026 4.132 1.00 0.00 S ATOM 0 H CYS A 35 1.188 -11.420 4.836 1.00 0.00 H new ATOM 0 HA CYS A 35 3.605 -11.304 6.526 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.356 -9.241 4.714 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.525 -8.845 5.957 1.00 0.00 H new ATOM 476 N GLY A 36 2.409 -10.307 8.433 1.00 0.00 N ATOM 477 CA GLY A 36 1.666 -9.920 9.624 1.00 0.00 C ATOM 478 C GLY A 36 1.037 -8.555 9.496 1.00 0.00 C ATOM 479 O GLY A 36 -0.103 -8.346 9.907 1.00 0.00 O ATOM 0 H GLY A 36 3.392 -10.520 8.601 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.888 -10.658 9.818 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.335 -9.929 10.484 1.00 0.00 H new ATOM 483 N THR A 37 1.770 -7.634 8.918 1.00 0.00 N ATOM 484 CA THR A 37 1.275 -6.301 8.736 1.00 0.00 C ATOM 485 C THR A 37 2.010 -5.606 7.597 1.00 0.00 C ATOM 486 O THR A 37 2.896 -6.191 6.960 1.00 0.00 O ATOM 487 CB THR A 37 1.397 -5.472 10.051 1.00 0.00 C ATOM 488 OG1 THR A 37 0.748 -4.199 9.906 1.00 0.00 O ATOM 489 CG2 THR A 37 2.857 -5.257 10.434 1.00 0.00 C ATOM 0 H THR A 37 2.715 -7.789 8.566 1.00 0.00 H new ATOM 0 HA THR A 37 0.219 -6.369 8.476 1.00 0.00 H new ATOM 0 HB THR A 37 0.908 -6.039 10.843 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.832 -3.692 10.740 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.910 -4.676 11.355 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.339 -6.223 10.586 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.367 -4.718 9.635 1.00 0.00 H new ATOM 497 N GLY A 38 1.644 -4.377 7.357 1.00 0.00 N ATOM 498 CA GLY A 38 2.239 -3.613 6.302 1.00 0.00 C ATOM 499 C GLY A 38 2.275 -2.155 6.635 1.00 0.00 C ATOM 500 O GLY A 38 1.439 -1.662 7.397 1.00 0.00 O ATOM 0 H GLY A 38 0.927 -3.881 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.252 -3.971 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.677 -3.763 5.380 1.00 0.00 H new ATOM 504 N HIS A 39 3.239 -1.458 6.096 1.00 0.00 N ATOM 505 CA HIS A 39 3.344 -0.047 6.326 1.00 0.00 C ATOM 506 C HIS A 39 3.934 0.627 5.117 1.00 0.00 C ATOM 507 O HIS A 39 4.772 0.058 4.421 1.00 0.00 O ATOM 508 CB HIS A 39 4.166 0.263 7.604 1.00 0.00 C ATOM 509 CG HIS A 39 5.667 0.142 7.471 1.00 0.00 C ATOM 510 ND1 HIS A 39 6.381 -0.969 7.876 1.00 0.00 N ATOM 511 CD2 HIS A 39 6.589 1.027 7.017 1.00 0.00 C ATOM 512 CE1 HIS A 39 7.668 -0.757 7.682 1.00 0.00 C ATOM 513 NE2 HIS A 39 7.821 0.448 7.162 1.00 0.00 N ATOM 0 H HIS A 39 3.964 -1.848 5.493 1.00 0.00 H new ATOM 0 HA HIS A 39 2.342 0.350 6.491 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.930 1.277 7.927 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.836 -0.409 8.396 1.00 0.00 H new ATOM 0 HD1 HIS A 39 5.976 -1.821 8.265 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.388 2.009 6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.463 -1.451 7.910 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.712 0.877 6.910 1.00 0.00 H new ATOM 522 N CYS A 40 3.506 1.823 4.861 1.00 0.00 N ATOM 523 CA CYS A 40 3.998 2.544 3.734 1.00 0.00 C ATOM 524 C CYS A 40 5.303 3.196 4.083 1.00 0.00 C ATOM 525 O CYS A 40 5.409 3.914 5.082 1.00 0.00 O ATOM 526 CB CYS A 40 2.983 3.569 3.280 1.00 0.00 C ATOM 527 SG CYS A 40 1.390 2.839 2.818 1.00 0.00 S ATOM 0 H CYS A 40 2.814 2.321 5.421 1.00 0.00 H new ATOM 0 HA CYS A 40 4.165 1.852 2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.825 4.294 4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.385 4.117 2.428 1.00 0.00 H new ATOM 532 N GLU A 41 6.301 2.927 3.289 1.00 0.00 N ATOM 533 CA GLU A 41 7.603 3.459 3.530 1.00 0.00 C ATOM 534 C GLU A 41 8.129 4.093 2.261 1.00 0.00 C ATOM 535 O GLU A 41 7.932 3.563 1.164 1.00 0.00 O ATOM 536 CB GLU A 41 8.536 2.334 3.969 1.00 0.00 C ATOM 537 CG GLU A 41 9.818 2.798 4.622 1.00 0.00 C ATOM 538 CD GLU A 41 9.605 3.281 6.033 1.00 0.00 C ATOM 539 OE1 GLU A 41 9.654 2.445 6.963 1.00 0.00 O ATOM 540 OE2 GLU A 41 9.405 4.489 6.226 1.00 0.00 O ATOM 0 H GLU A 41 6.231 2.335 2.461 1.00 0.00 H new ATOM 0 HA GLU A 41 7.552 4.213 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.002 1.688 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.786 1.727 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.537 1.979 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.254 3.601 4.028 1.00 0.00 H new ATOM 547 N ARG A 42 8.773 5.221 2.394 1.00 0.00 N ATOM 548 CA ARG A 42 9.349 5.878 1.256 1.00 0.00 C ATOM 549 C ARG A 42 10.771 5.439 1.066 1.00 0.00 C ATOM 550 O ARG A 42 11.641 5.721 1.887 1.00 0.00 O ATOM 551 CB ARG A 42 9.271 7.388 1.376 1.00 0.00 C ATOM 552 CG ARG A 42 8.090 7.988 0.647 1.00 0.00 C ATOM 553 CD ARG A 42 8.143 9.500 0.666 1.00 0.00 C ATOM 554 NE ARG A 42 9.407 10.014 0.136 1.00 0.00 N ATOM 555 CZ ARG A 42 9.611 11.294 -0.198 1.00 0.00 C ATOM 556 NH1 ARG A 42 8.603 12.158 -0.153 1.00 0.00 N ATOM 557 NH2 ARG A 42 10.816 11.703 -0.583 1.00 0.00 N ATOM 0 H ARG A 42 8.911 5.704 3.282 1.00 0.00 H new ATOM 0 HA ARG A 42 8.768 5.590 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.214 7.659 2.430 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.190 7.824 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.079 7.635 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.163 7.649 1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.316 9.899 0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.008 9.854 1.688 1.00 0.00 H new ATOM 0 HE ARG A 42 10.178 9.358 0.014 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.676 11.846 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.756 13.134 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.590 11.040 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.966 12.680 -0.837 1.00 0.00 H new ATOM 571 N ARG A 43 11.002 4.744 -0.011 1.00 0.00 N ATOM 572 CA ARG A 43 12.317 4.233 -0.321 1.00 0.00 C ATOM 573 C ARG A 43 12.935 5.053 -1.436 1.00 0.00 C ATOM 574 O ARG A 43 12.551 4.924 -2.595 1.00 0.00 O ATOM 575 CB ARG A 43 12.243 2.750 -0.720 1.00 0.00 C ATOM 576 CG ARG A 43 11.756 1.818 0.391 1.00 0.00 C ATOM 577 CD ARG A 43 12.627 1.928 1.637 1.00 0.00 C ATOM 578 NE ARG A 43 12.330 0.888 2.623 1.00 0.00 N ATOM 579 CZ ARG A 43 12.657 0.962 3.921 1.00 0.00 C ATOM 580 NH1 ARG A 43 13.272 2.040 4.399 1.00 0.00 N ATOM 581 NH2 ARG A 43 12.370 -0.044 4.734 1.00 0.00 N ATOM 0 H ARG A 43 10.288 4.513 -0.702 1.00 0.00 H new ATOM 0 HA ARG A 43 12.944 4.312 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.578 2.650 -1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.232 2.424 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.724 2.061 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.762 0.789 0.032 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.676 1.862 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.482 2.908 2.092 1.00 0.00 H new ATOM 0 HE ARG A 43 11.842 0.052 2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.497 2.816 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.518 2.090 5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.901 -0.874 4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.619 0.012 5.722 1.00 0.00 H new ATOM 595 N GLY A 44 13.871 5.918 -1.072 1.00 0.00 N ATOM 596 CA GLY A 44 14.511 6.782 -2.047 1.00 0.00 C ATOM 597 C GLY A 44 13.506 7.637 -2.798 1.00 0.00 C ATOM 598 O GLY A 44 13.496 7.661 -4.028 1.00 0.00 O ATOM 0 H GLY A 44 14.201 6.038 -0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.230 7.427 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.072 6.174 -2.757 1.00 0.00 H new ATOM 602 N GLY A 45 12.656 8.331 -2.054 1.00 0.00 N ATOM 603 CA GLY A 45 11.632 9.172 -2.658 1.00 0.00 C ATOM 604 C GLY A 45 10.421 8.400 -3.147 1.00 0.00 C ATOM 605 O GLY A 45 9.365 8.982 -3.375 1.00 0.00 O ATOM 0 H GLY A 45 12.655 8.329 -1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.308 9.915 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.068 9.716 -3.496 1.00 0.00 H new ATOM 609 N ARG A 46 10.570 7.101 -3.280 1.00 0.00 N ATOM 610 CA ARG A 46 9.513 6.256 -3.806 1.00 0.00 C ATOM 611 C ARG A 46 8.591 5.748 -2.706 1.00 0.00 C ATOM 612 O ARG A 46 9.000 4.946 -1.864 1.00 0.00 O ATOM 613 CB ARG A 46 10.111 5.073 -4.541 1.00 0.00 C ATOM 614 CG ARG A 46 10.997 5.457 -5.705 1.00 0.00 C ATOM 615 CD ARG A 46 10.209 6.130 -6.813 1.00 0.00 C ATOM 616 NE ARG A 46 11.008 6.282 -8.032 1.00 0.00 N ATOM 617 CZ ARG A 46 10.993 7.363 -8.818 1.00 0.00 C ATOM 618 NH1 ARG A 46 10.245 8.413 -8.506 1.00 0.00 N ATOM 619 NH2 ARG A 46 11.728 7.387 -9.918 1.00 0.00 N ATOM 0 H ARG A 46 11.422 6.599 -3.029 1.00 0.00 H new ATOM 0 HA ARG A 46 8.922 6.864 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.691 4.476 -3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.303 4.439 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.783 6.128 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.488 4.567 -6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.317 5.543 -7.033 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.871 7.110 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 46 11.618 5.509 -8.299 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.675 8.400 -7.660 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.240 9.234 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.304 6.582 -10.164 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.719 8.211 -10.520 1.00 0.00 H new ATOM 633 N PRO A 47 7.337 6.203 -2.688 1.00 0.00 N ATOM 634 CA PRO A 47 6.354 5.720 -1.733 1.00 0.00 C ATOM 635 C PRO A 47 5.986 4.277 -2.038 1.00 0.00 C ATOM 636 O PRO A 47 5.351 3.990 -3.046 1.00 0.00 O ATOM 637 CB PRO A 47 5.157 6.642 -1.953 1.00 0.00 C ATOM 638 CG PRO A 47 5.305 7.143 -3.345 1.00 0.00 C ATOM 639 CD PRO A 47 6.778 7.228 -3.595 1.00 0.00 C ATOM 0 HA PRO A 47 6.713 5.733 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.217 6.105 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.155 7.463 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.826 6.469 -4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.832 8.118 -3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.022 7.019 -4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.168 8.221 -3.369 1.00 0.00 H new ATOM 647 N THR A 48 6.394 3.373 -1.184 1.00 0.00 N ATOM 648 CA THR A 48 6.188 1.968 -1.441 1.00 0.00 C ATOM 649 C THR A 48 5.533 1.277 -0.249 1.00 0.00 C ATOM 650 O THR A 48 5.621 1.748 0.884 1.00 0.00 O ATOM 651 CB THR A 48 7.541 1.289 -1.749 1.00 0.00 C ATOM 652 OG1 THR A 48 8.318 2.148 -2.593 1.00 0.00 O ATOM 653 CG2 THR A 48 7.337 -0.051 -2.452 1.00 0.00 C ATOM 0 H THR A 48 6.870 3.583 -0.306 1.00 0.00 H new ATOM 0 HA THR A 48 5.523 1.876 -2.299 1.00 0.00 H new ATOM 0 HB THR A 48 8.059 1.110 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.178 1.722 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.306 -0.506 -2.656 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.753 -0.713 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.806 0.108 -3.390 1.00 0.00 H new ATOM 661 N CYS A 49 4.854 0.182 -0.519 1.00 0.00 N ATOM 662 CA CYS A 49 4.246 -0.613 0.520 1.00 0.00 C ATOM 663 C CYS A 49 5.213 -1.693 0.945 1.00 0.00 C ATOM 664 O CYS A 49 5.508 -2.612 0.176 1.00 0.00 O ATOM 665 CB CYS A 49 2.948 -1.250 0.011 1.00 0.00 C ATOM 666 SG CYS A 49 2.224 -2.486 1.134 1.00 0.00 S ATOM 0 H CYS A 49 4.710 -0.179 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 49 4.009 0.026 1.371 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.215 -0.462 -0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.143 -1.722 -0.952 1.00 0.00 H new ATOM 671 N VAL A 50 5.743 -1.564 2.142 1.00 0.00 N ATOM 672 CA VAL A 50 6.672 -2.537 2.648 1.00 0.00 C ATOM 673 C VAL A 50 6.040 -3.296 3.811 1.00 0.00 C ATOM 674 O VAL A 50 5.532 -2.699 4.772 1.00 0.00 O ATOM 675 CB VAL A 50 8.035 -1.901 3.052 1.00 0.00 C ATOM 676 CG1 VAL A 50 8.635 -1.138 1.878 1.00 0.00 C ATOM 677 CG2 VAL A 50 7.887 -0.991 4.246 1.00 0.00 C ATOM 0 H VAL A 50 5.543 -0.793 2.779 1.00 0.00 H new ATOM 0 HA VAL A 50 6.894 -3.241 1.846 1.00 0.00 H new ATOM 0 HB VAL A 50 8.709 -2.711 3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.587 -0.700 2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.796 -1.821 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.952 -0.346 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.857 -0.564 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.189 -0.189 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.508 -1.562 5.094 1.00 0.00 H new ATOM 687 N CYS A 51 6.036 -4.594 3.707 1.00 0.00 N ATOM 688 CA CYS A 51 5.392 -5.423 4.693 1.00 0.00 C ATOM 689 C CYS A 51 6.312 -5.756 5.841 1.00 0.00 C ATOM 690 O CYS A 51 7.526 -5.836 5.679 1.00 0.00 O ATOM 691 CB CYS A 51 4.875 -6.688 4.046 1.00 0.00 C ATOM 692 SG CYS A 51 3.837 -6.378 2.590 1.00 0.00 S ATOM 0 H CYS A 51 6.475 -5.108 2.943 1.00 0.00 H new ATOM 0 HA CYS A 51 4.555 -4.859 5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.721 -7.310 3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.300 -7.254 4.779 1.00 0.00 H new ATOM 697 N SER A 52 5.728 -5.946 7.001 1.00 0.00 N ATOM 698 CA SER A 52 6.473 -6.274 8.186 1.00 0.00 C ATOM 699 C SER A 52 5.916 -7.551 8.802 1.00 0.00 C ATOM 700 O SER A 52 4.732 -7.871 8.619 1.00 0.00 O ATOM 701 CB SER A 52 6.389 -5.119 9.186 1.00 0.00 C ATOM 702 OG SER A 52 6.699 -3.877 8.561 1.00 0.00 O ATOM 0 H SER A 52 4.721 -5.877 7.146 1.00 0.00 H new ATOM 0 HA SER A 52 7.519 -6.435 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.387 -5.075 9.612 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.079 -5.297 10.011 1.00 0.00 H new ATOM 0 HG SER A 52 7.368 -3.400 9.095 1.00 0.00 H new ATOM 708 N ARG A 53 6.772 -8.287 9.515 1.00 0.00 N ATOM 709 CA ARG A 53 6.378 -9.534 10.175 1.00 0.00 C ATOM 710 C ARG A 53 5.899 -10.555 9.142 1.00 0.00 C ATOM 711 O ARG A 53 4.845 -11.164 9.290 1.00 0.00 O ATOM 712 CB ARG A 53 5.279 -9.272 11.218 1.00 0.00 C ATOM 713 CG ARG A 53 5.649 -8.246 12.290 1.00 0.00 C ATOM 714 CD ARG A 53 6.751 -8.747 13.222 1.00 0.00 C ATOM 715 NE ARG A 53 8.075 -8.768 12.587 1.00 0.00 N ATOM 716 CZ ARG A 53 9.149 -9.363 13.111 1.00 0.00 C ATOM 717 NH1 ARG A 53 9.063 -9.981 14.284 1.00 0.00 N ATOM 718 NH2 ARG A 53 10.306 -9.331 12.465 1.00 0.00 N ATOM 0 H ARG A 53 7.752 -8.037 9.651 1.00 0.00 H new ATOM 0 HA ARG A 53 7.249 -9.940 10.689 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.381 -8.931 10.702 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.028 -10.214 11.706 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.975 -7.324 11.809 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.763 -8.003 12.877 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.788 -8.111 14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.502 -9.752 13.563 1.00 0.00 H new ATOM 0 HE ARG A 53 8.181 -8.298 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.175 -10.001 14.786 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.885 -10.435 14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.376 -8.852 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.126 -9.786 12.866 1.00 0.00 H new ATOM 732 N CYS A 54 6.688 -10.734 8.106 1.00 0.00 N ATOM 733 CA CYS A 54 6.343 -11.651 7.033 1.00 0.00 C ATOM 734 C CYS A 54 6.877 -13.040 7.312 1.00 0.00 C ATOM 735 O CYS A 54 7.856 -13.200 8.051 1.00 0.00 O ATOM 736 CB CYS A 54 6.888 -11.142 5.702 1.00 0.00 C ATOM 737 SG CYS A 54 6.219 -9.534 5.183 1.00 0.00 S ATOM 0 H CYS A 54 7.580 -10.255 7.980 1.00 0.00 H new ATOM 0 HA CYS A 54 5.256 -11.705 6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.973 -11.065 5.773 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.671 -11.879 4.929 1.00 0.00 H new ATOM 742 N GLY A 55 6.255 -14.047 6.706 1.00 0.00 N ATOM 743 CA GLY A 55 6.697 -15.410 6.876 1.00 0.00 C ATOM 744 C GLY A 55 7.356 -15.900 5.615 1.00 0.00 C ATOM 745 O GLY A 55 7.350 -17.094 5.304 1.00 0.00 O ATOM 0 H GLY A 55 5.445 -13.936 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.397 -15.472 7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.848 -16.048 7.124 1.00 0.00 H new ATOM 749 N ASN A 56 7.925 -14.959 4.892 1.00 0.00 N ATOM 750 CA ASN A 56 8.553 -15.221 3.613 1.00 0.00 C ATOM 751 C ASN A 56 10.054 -15.302 3.798 1.00 0.00 C ATOM 752 O ASN A 56 10.778 -14.345 3.508 1.00 0.00 O ATOM 753 CB ASN A 56 8.204 -14.105 2.620 1.00 0.00 C ATOM 754 CG ASN A 56 6.709 -13.869 2.498 1.00 0.00 C ATOM 755 OD1 ASN A 56 5.914 -14.807 2.524 1.00 0.00 O ATOM 756 ND2 ASN A 56 6.315 -12.610 2.412 1.00 0.00 N ATOM 0 H ASN A 56 7.965 -13.981 5.178 1.00 0.00 H new ATOM 0 HA ASN A 56 8.187 -16.168 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.688 -13.181 2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.608 -14.358 1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.320 -12.389 2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.006 -11.860 2.393 1.00 0.00 H new ATOM 763 N GLY A 57 10.517 -16.420 4.321 1.00 0.00 N ATOM 764 CA GLY A 57 11.925 -16.581 4.584 1.00 0.00 C ATOM 765 C GLY A 57 12.703 -17.000 3.364 1.00 0.00 C ATOM 766 O GLY A 57 12.432 -18.046 2.776 1.00 0.00 O ATOM 0 H GLY A 57 9.940 -17.223 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.329 -15.642 4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.061 -17.325 5.369 1.00 0.00 H new ATOM 770 N GLY A 58 13.657 -16.181 2.972 1.00 0.00 N ATOM 771 CA GLY A 58 14.488 -16.498 1.837 1.00 0.00 C ATOM 772 C GLY A 58 14.142 -15.668 0.626 1.00 0.00 C ATOM 773 O GLY A 58 14.922 -14.811 0.205 1.00 0.00 O ATOM 0 H GLY A 58 13.873 -15.293 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.534 -16.337 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.379 -17.555 1.594 1.00 0.00 H new ATOM 777 N GLY A 59 12.970 -15.907 0.073 1.00 0.00 N ATOM 778 CA GLY A 59 12.550 -15.179 -1.098 1.00 0.00 C ATOM 779 C GLY A 59 11.287 -14.388 -0.862 1.00 0.00 C ATOM 780 O GLY A 59 10.331 -14.899 -0.280 1.00 0.00 O ATOM 0 H GLY A 59 12.299 -16.595 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.347 -14.502 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.390 -15.878 -1.919 1.00 0.00 H new ATOM 784 N GLU A 60 11.277 -13.142 -1.309 1.00 0.00 N ATOM 785 CA GLU A 60 10.114 -12.286 -1.163 1.00 0.00 C ATOM 786 C GLU A 60 10.138 -11.179 -2.194 1.00 0.00 C ATOM 787 O GLU A 60 11.200 -10.658 -2.550 1.00 0.00 O ATOM 788 CB GLU A 60 10.053 -11.680 0.229 1.00 0.00 C ATOM 789 CG GLU A 60 8.812 -10.842 0.487 1.00 0.00 C ATOM 790 CD GLU A 60 8.836 -10.182 1.843 1.00 0.00 C ATOM 791 OE1 GLU A 60 8.386 -10.812 2.816 1.00 0.00 O ATOM 792 OE2 GLU A 60 9.311 -9.033 1.942 1.00 0.00 O ATOM 0 H GLU A 60 12.067 -12.700 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 60 9.228 -12.902 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.096 -12.483 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.936 -11.059 0.382 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.726 -10.077 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.927 -11.474 0.409 1.00 0.00 H new ATOM 799 N TRP A 61 8.969 -10.841 -2.674 1.00 0.00 N ATOM 800 CA TRP A 61 8.792 -9.786 -3.662 1.00 0.00 C ATOM 801 C TRP A 61 7.367 -9.207 -3.594 1.00 0.00 C ATOM 802 O TRP A 61 6.450 -9.703 -4.240 1.00 0.00 O ATOM 803 CB TRP A 61 9.146 -10.285 -5.090 1.00 0.00 C ATOM 804 CG TRP A 61 8.559 -11.624 -5.475 1.00 0.00 C ATOM 805 CD1 TRP A 61 7.396 -11.842 -6.147 1.00 0.00 C ATOM 806 CD2 TRP A 61 9.125 -12.926 -5.229 1.00 0.00 C ATOM 807 NE1 TRP A 61 7.190 -13.185 -6.319 1.00 0.00 N ATOM 808 CE2 TRP A 61 8.235 -13.873 -5.767 1.00 0.00 C ATOM 809 CE3 TRP A 61 10.291 -13.380 -4.604 1.00 0.00 C ATOM 810 CZ2 TRP A 61 8.474 -15.244 -5.699 1.00 0.00 C ATOM 811 CZ3 TRP A 61 10.525 -14.739 -4.537 1.00 0.00 C ATOM 812 CH2 TRP A 61 9.621 -15.657 -5.083 1.00 0.00 C ATOM 0 H TRP A 61 8.098 -11.290 -2.392 1.00 0.00 H new ATOM 0 HA TRP A 61 9.486 -8.979 -3.425 1.00 0.00 H new ATOM 0 HB2 TRP A 61 8.809 -9.540 -5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.231 -10.345 -5.177 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.730 -11.066 -6.495 1.00 0.00 H new ATOM 0 HE1 TRP A 61 6.385 -13.605 -6.785 1.00 0.00 H new ATOM 0 HE3 TRP A 61 10.996 -12.680 -4.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 7.777 -15.955 -6.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 11.421 -15.100 -4.055 1.00 0.00 H new ATOM 0 HH2 TRP A 61 9.835 -16.714 -5.016 1.00 0.00 H new ATOM 823 N PRO A 62 7.166 -8.167 -2.763 1.00 0.00 N ATOM 824 CA PRO A 62 5.849 -7.539 -2.582 1.00 0.00 C ATOM 825 C PRO A 62 5.478 -6.555 -3.706 1.00 0.00 C ATOM 826 O PRO A 62 4.323 -6.497 -4.138 1.00 0.00 O ATOM 827 CB PRO A 62 6.000 -6.799 -1.252 1.00 0.00 C ATOM 828 CG PRO A 62 7.455 -6.461 -1.160 1.00 0.00 C ATOM 829 CD PRO A 62 8.200 -7.539 -1.913 1.00 0.00 C ATOM 0 HA PRO A 62 5.048 -8.278 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.384 -5.900 -1.228 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.686 -7.423 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.652 -5.480 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.778 -6.422 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.008 -7.120 -2.513 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.650 -8.262 -1.233 1.00 0.00 H new ATOM 837 N ASN A 63 6.458 -5.789 -4.172 1.00 0.00 N ATOM 838 CA ASN A 63 6.232 -4.789 -5.216 1.00 0.00 C ATOM 839 C ASN A 63 6.219 -5.430 -6.598 1.00 0.00 C ATOM 840 O ASN A 63 5.715 -4.842 -7.559 1.00 0.00 O ATOM 841 CB ASN A 63 7.320 -3.693 -5.129 1.00 0.00 C ATOM 842 CG ASN A 63 7.244 -2.666 -6.250 1.00 0.00 C ATOM 843 OD1 ASN A 63 6.497 -1.695 -6.167 1.00 0.00 O ATOM 844 ND2 ASN A 63 8.044 -2.858 -7.288 1.00 0.00 N ATOM 0 H ASN A 63 7.422 -5.840 -3.843 1.00 0.00 H new ATOM 0 HA ASN A 63 5.254 -4.334 -5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.231 -3.180 -4.171 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.302 -4.166 -5.147 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.054 -2.186 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.650 -3.678 -7.320 1.00 0.00 H new ATOM 851 N LEU A 64 6.758 -6.646 -6.677 1.00 0.00 N ATOM 852 CA LEU A 64 6.825 -7.413 -7.925 1.00 0.00 C ATOM 853 C LEU A 64 7.764 -6.740 -8.927 1.00 0.00 C ATOM 854 O LEU A 64 7.360 -5.848 -9.669 1.00 0.00 O ATOM 855 CB LEU A 64 5.425 -7.596 -8.554 1.00 0.00 C ATOM 856 CG LEU A 64 4.351 -8.217 -7.653 1.00 0.00 C ATOM 857 CD1 LEU A 64 3.028 -8.319 -8.393 1.00 0.00 C ATOM 858 CD2 LEU A 64 4.790 -9.580 -7.155 1.00 0.00 C ATOM 0 H LEU A 64 7.162 -7.130 -5.876 1.00 0.00 H new ATOM 0 HA LEU A 64 7.219 -8.399 -7.679 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.070 -6.621 -8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.528 -8.219 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 64 4.213 -7.567 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.278 -8.762 -7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.703 -7.324 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.153 -8.945 -9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.013 -10.002 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.960 -10.240 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.713 -9.479 -6.584 1.00 0.00 H new ATOM 870 N PRO A 65 9.043 -7.154 -8.947 1.00 0.00 N ATOM 871 CA PRO A 65 10.045 -6.585 -9.863 1.00 0.00 C ATOM 872 C PRO A 65 9.740 -6.924 -11.315 1.00 0.00 C ATOM 873 O PRO A 65 10.214 -6.265 -12.243 1.00 0.00 O ATOM 874 CB PRO A 65 11.363 -7.250 -9.424 1.00 0.00 C ATOM 875 CG PRO A 65 11.077 -7.851 -8.085 1.00 0.00 C ATOM 876 CD PRO A 65 9.616 -8.189 -8.082 1.00 0.00 C ATOM 0 HA PRO A 65 10.072 -5.496 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.676 -8.012 -10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.170 -6.520 -9.363 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.683 -8.742 -7.921 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.316 -7.151 -7.285 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.431 -9.190 -8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 65 9.195 -8.155 -7.077 1.00 0.00 H new ATOM 884 N SER A 66 8.926 -7.926 -11.483 1.00 0.00 N ATOM 885 CA SER A 66 8.533 -8.413 -12.783 1.00 0.00 C ATOM 886 C SER A 66 7.256 -9.229 -12.664 1.00 0.00 C ATOM 887 O SER A 66 7.000 -9.832 -11.620 1.00 0.00 O ATOM 888 CB SER A 66 9.663 -9.248 -13.398 1.00 0.00 C ATOM 889 OG SER A 66 10.162 -10.203 -12.471 1.00 0.00 O ATOM 0 H SER A 66 8.506 -8.440 -10.708 1.00 0.00 H new ATOM 0 HA SER A 66 8.340 -7.566 -13.442 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.297 -9.759 -14.289 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.472 -8.591 -13.717 1.00 0.00 H new ATOM 0 HG SER A 66 10.880 -10.722 -12.890 1.00 0.00 H new ATOM 895 N ARG A 67 6.450 -9.228 -13.708 1.00 0.00 N ATOM 896 CA ARG A 67 5.202 -9.963 -13.696 1.00 0.00 C ATOM 897 C ARG A 67 5.293 -11.188 -14.594 1.00 0.00 C ATOM 898 O ARG A 67 5.983 -11.169 -15.620 1.00 0.00 O ATOM 899 CB ARG A 67 4.026 -9.046 -14.106 1.00 0.00 C ATOM 900 CG ARG A 67 4.054 -8.552 -15.556 1.00 0.00 C ATOM 901 CD ARG A 67 3.309 -9.500 -16.489 1.00 0.00 C ATOM 902 NE ARG A 67 1.915 -9.673 -16.076 1.00 0.00 N ATOM 903 CZ ARG A 67 1.128 -10.680 -16.458 1.00 0.00 C ATOM 904 NH1 ARG A 67 1.582 -11.603 -17.298 1.00 0.00 N ATOM 905 NH2 ARG A 67 -0.118 -10.759 -15.995 1.00 0.00 N ATOM 0 H ARG A 67 6.638 -8.726 -14.576 1.00 0.00 H new ATOM 0 HA ARG A 67 5.013 -10.310 -12.680 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.093 -9.585 -13.941 1.00 0.00 H new ATOM 0 HB3 ARG A 67 4.015 -8.180 -13.445 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.606 -7.560 -15.611 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.088 -8.453 -15.887 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.343 -9.112 -17.507 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.809 -10.468 -16.501 1.00 0.00 H new ATOM 0 HE ARG A 67 1.517 -8.973 -15.451 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.536 -11.544 -17.654 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.977 -12.371 -17.587 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.468 -10.051 -15.350 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.722 -11.528 -16.285 1.00 0.00 H new ATOM 919 N GLY A 68 4.608 -12.240 -14.211 1.00 0.00 N ATOM 920 CA GLY A 68 4.599 -13.445 -14.996 1.00 0.00 C ATOM 921 C GLY A 68 3.310 -14.197 -14.820 1.00 0.00 C ATOM 922 O GLY A 68 2.871 -14.874 -15.770 1.00 0.00 O ATOM 923 OXT GLY A 68 2.718 -14.103 -13.725 1.00 0.00 O ATOM 0 H GLY A 68 4.050 -12.283 -13.358 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.738 -13.198 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.436 -14.079 -14.704 1.00 0.00 H new TER 927 GLY A 68