USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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 37 ASN : amide:sc= 0.535 K(o=1.1,f=2.1) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.546 USER MOD Set 1.3: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 17 CYS SG : rot 180:sc= 0.748 USER MOD Set 2.2: A 66 TYR OH : rot -35:sc= 0.651 USER MOD Single : A 1 VAL N :NH3+ -159:sc= -0.0339 (180deg=-0.572) USER MOD Single : A 2 THR OG1 : rot 150:sc= 0.212 USER MOD Single : A 4 LYS NZ :NH3+ 169:sc= 0.922 (180deg=0.783) USER MOD Single : A 12 MET CE :methyl 176:sc= 0 (180deg=-0.0433) USER MOD Single : A 13 THR OG1 : rot 93:sc= 0.14 USER MOD Single : A 14 CYS SG : rot 58:sc= -0.971 USER MOD Single : A 19 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.562 K(o=0.56,f=-0.31) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0996 USER MOD Single : A 48 ASN : amide:sc= -0.982 K(o=-0.98,f=-9.7!) USER MOD Single : A 50 LYS NZ :NH3+ -159:sc= 0.564 (180deg=-2.13!) USER MOD Single : A 53 SER OG : rot -40:sc= 1.24 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 1.21 (180deg=-1.73) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.3!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -9.339 13.099 9.554 1.00 10.00 N ATOM 2 CA VAL A 1 -9.246 11.735 10.090 1.00 10.00 C ATOM 3 C VAL A 1 -8.209 11.006 9.242 1.00 10.00 C ATOM 4 O VAL A 1 -7.028 11.298 9.403 1.00 10.00 O ATOM 5 CB VAL A 1 -10.628 11.056 10.161 1.00 10.00 C ATOM 6 CG1 VAL A 1 -10.536 9.649 10.766 1.00 10.00 C ATOM 7 CG2 VAL A 1 -11.582 11.873 11.039 1.00 10.00 C ATOM 0 H1 VAL A 1 -9.740 13.730 10.277 1.00 10.00 H new ATOM 0 H2 VAL A 1 -8.390 13.434 9.290 1.00 10.00 H new ATOM 0 H3 VAL A 1 -9.953 13.101 8.715 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.914 11.723 11.128 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.999 10.993 9.138 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.529 9.202 10.800 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -9.881 9.031 10.152 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -10.132 9.713 11.776 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -12.553 11.379 11.078 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -11.173 11.950 12.046 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -11.699 12.871 10.618 1.00 10.00 H new ATOM 19 N THR A 2 -8.630 10.166 8.297 1.00 10.00 N ATOM 20 CA THR A 2 -7.749 9.563 7.310 1.00 10.00 C ATOM 21 C THR A 2 -7.913 10.248 5.957 1.00 10.00 C ATOM 22 O THR A 2 -8.801 11.083 5.777 1.00 10.00 O ATOM 23 CB THR A 2 -8.022 8.053 7.243 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.417 7.809 7.131 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.476 7.409 8.521 1.00 10.00 C ATOM 0 H THR A 2 -9.605 9.885 8.198 1.00 10.00 H new ATOM 0 HA THR A 2 -6.709 9.702 7.604 1.00 10.00 H new ATOM 0 HB THR A 2 -7.532 7.625 6.368 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.565 6.977 6.634 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.660 6.335 8.494 1.00 10.00 H new ATOM 0 HG22 THR A 2 -6.404 7.592 8.591 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.976 7.841 9.388 1.00 10.00 H new ATOM 33 N GLU A 3 -7.012 9.903 5.038 1.00 10.00 N ATOM 34 CA GLU A 3 -6.862 10.444 3.706 1.00 10.00 C ATOM 35 C GLU A 3 -6.619 9.253 2.781 1.00 10.00 C ATOM 36 O GLU A 3 -6.067 8.237 3.212 1.00 10.00 O ATOM 37 CB GLU A 3 -5.654 11.392 3.711 1.00 10.00 C ATOM 38 CG GLU A 3 -6.009 12.786 3.197 1.00 10.00 C ATOM 39 CD GLU A 3 -4.893 13.759 3.549 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.856 14.163 4.731 1.00 10.00 O ATOM 41 OE2 GLU A 3 -4.074 14.041 2.649 1.00 10.00 O ATOM 0 H GLU A 3 -6.318 9.181 5.230 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.738 11.002 3.374 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.261 11.470 4.724 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.861 10.970 3.093 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.156 12.760 2.117 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.948 13.119 3.638 1.00 10.00 H new ATOM 48 N LYS A 4 -7.052 9.369 1.526 1.00 10.00 N ATOM 49 CA LYS A 4 -6.968 8.322 0.532 1.00 10.00 C ATOM 50 C LYS A 4 -5.749 8.528 -0.361 1.00 10.00 C ATOM 51 O LYS A 4 -5.531 9.622 -0.873 1.00 10.00 O ATOM 52 CB LYS A 4 -8.251 8.327 -0.304 1.00 10.00 C ATOM 53 CG LYS A 4 -9.313 7.375 0.260 1.00 10.00 C ATOM 54 CD LYS A 4 -8.832 5.922 0.100 1.00 10.00 C ATOM 55 CE LYS A 4 -9.977 4.909 -0.079 1.00 10.00 C ATOM 56 NZ LYS A 4 -10.410 4.269 1.183 1.00 10.00 N ATOM 0 H LYS A 4 -7.482 10.223 1.171 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.860 7.358 1.029 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.655 9.339 -0.341 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.016 8.040 -1.329 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.494 7.596 1.312 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.259 7.516 -0.263 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.167 5.861 -0.761 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.246 5.644 0.976 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.830 5.415 -0.530 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -9.659 4.135 -0.778 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.295 3.747 1.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -9.674 3.611 1.509 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -10.566 4.999 1.907 1.00 10.00 H new ATOM 70 N ALA A 5 -4.989 7.453 -0.565 1.00 10.00 N ATOM 71 CA ALA A 5 -3.812 7.418 -1.413 1.00 10.00 C ATOM 72 C ALA A 5 -3.868 6.163 -2.286 1.00 10.00 C ATOM 73 O ALA A 5 -4.260 5.103 -1.791 1.00 10.00 O ATOM 74 CB ALA A 5 -2.582 7.410 -0.509 1.00 10.00 C ATOM 0 H ALA A 5 -5.188 6.554 -0.126 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.767 8.287 -2.070 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.681 7.384 -1.121 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.577 8.310 0.106 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.609 6.531 0.135 1.00 10.00 H new ATOM 80 N GLU A 6 -3.472 6.271 -3.559 1.00 10.00 N ATOM 81 CA GLU A 6 -3.333 5.141 -4.461 1.00 10.00 C ATOM 82 C GLU A 6 -1.900 5.044 -4.938 1.00 10.00 C ATOM 83 O GLU A 6 -1.248 6.069 -5.146 1.00 10.00 O ATOM 84 CB GLU A 6 -4.229 5.279 -5.690 1.00 10.00 C ATOM 85 CG GLU A 6 -5.631 4.761 -5.387 1.00 10.00 C ATOM 86 CD GLU A 6 -6.422 4.397 -6.641 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.869 4.529 -7.758 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.562 3.929 -6.435 1.00 10.00 O ATOM 0 H GLU A 6 -3.237 7.165 -3.991 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.626 4.249 -3.908 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.279 6.324 -5.996 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.801 4.723 -6.524 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.556 3.883 -4.745 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.178 5.519 -4.827 1.00 10.00 H new ATOM 95 N PHE A 7 -1.458 3.801 -5.135 1.00 10.00 N ATOM 96 CA PHE A 7 -0.087 3.460 -5.453 1.00 10.00 C ATOM 97 C PHE A 7 -0.059 2.401 -6.548 1.00 10.00 C ATOM 98 O PHE A 7 -0.910 1.507 -6.569 1.00 10.00 O ATOM 99 CB PHE A 7 0.655 2.946 -4.212 1.00 10.00 C ATOM 100 CG PHE A 7 0.430 3.713 -2.932 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.787 3.564 -2.253 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.455 4.495 -2.373 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.059 4.352 -1.130 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.223 5.185 -1.172 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.050 5.153 -0.576 1.00 10.00 C ATOM 0 H PHE A 7 -2.069 2.986 -5.074 1.00 10.00 H new ATOM 0 HA PHE A 7 0.417 4.360 -5.804 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.364 1.909 -4.045 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.723 2.947 -4.428 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.513 2.842 -2.596 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.415 4.565 -2.864 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.045 4.344 -0.690 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.023 5.741 -0.706 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.250 5.744 0.306 1.00 10.00 H new ATOM 115 N ASP A 8 0.930 2.520 -7.435 1.00 10.00 N ATOM 116 CA ASP A 8 1.095 1.700 -8.622 1.00 10.00 C ATOM 117 C ASP A 8 2.260 0.729 -8.391 1.00 10.00 C ATOM 118 O ASP A 8 3.252 1.113 -7.763 1.00 10.00 O ATOM 119 CB ASP A 8 1.322 2.633 -9.818 1.00 10.00 C ATOM 120 CG ASP A 8 0.668 2.068 -11.066 1.00 10.00 C ATOM 121 OD1 ASP A 8 1.085 0.959 -11.455 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.260 2.741 -11.573 1.00 10.00 O ATOM 0 H ASP A 8 1.665 3.221 -7.336 1.00 10.00 H new ATOM 0 HA ASP A 8 0.211 1.098 -8.832 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.912 3.619 -9.600 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.391 2.763 -9.988 1.00 10.00 H new ATOM 127 N ILE A 9 2.081 -0.545 -8.765 1.00 10.00 N ATOM 128 CA ILE A 9 2.879 -1.675 -8.307 1.00 10.00 C ATOM 129 C ILE A 9 3.659 -2.283 -9.471 1.00 10.00 C ATOM 130 O ILE A 9 3.073 -2.539 -10.519 1.00 10.00 O ATOM 131 CB ILE A 9 1.950 -2.757 -7.702 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.648 -2.232 -7.079 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.733 -3.557 -6.659 1.00 10.00 C ATOM 134 CD1 ILE A 9 0.932 -1.257 -5.950 1.00 10.00 C ATOM 0 H ILE A 9 1.348 -0.820 -9.419 1.00 10.00 H new ATOM 0 HA ILE A 9 3.580 -1.321 -7.551 1.00 10.00 H new ATOM 0 HB ILE A 9 1.633 -3.379 -8.539 1.00 10.00 H new ATOM 0 HG12 ILE A 9 0.048 -1.740 -7.845 1.00 10.00 H new ATOM 0 HG13 ILE A 9 0.060 -3.068 -6.701 1.00 10.00 H new ATOM 0 HG21 ILE A 9 2.087 -4.322 -6.227 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.591 -4.033 -7.134 1.00 10.00 H new ATOM 0 HG23 ILE A 9 3.079 -2.887 -5.872 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -0.009 -0.903 -5.529 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.511 -1.758 -5.174 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.499 -0.409 -6.335 1.00 10.00 H new ATOM 146 N GLU A 10 4.951 -2.580 -9.276 1.00 10.00 N ATOM 147 CA GLU A 10 5.750 -3.313 -10.240 1.00 10.00 C ATOM 148 C GLU A 10 6.390 -4.520 -9.555 1.00 10.00 C ATOM 149 O GLU A 10 7.292 -4.352 -8.729 1.00 10.00 O ATOM 150 CB GLU A 10 6.823 -2.383 -10.807 1.00 10.00 C ATOM 151 CG GLU A 10 6.256 -1.403 -11.843 1.00 10.00 C ATOM 152 CD GLU A 10 7.376 -0.603 -12.494 1.00 10.00 C ATOM 153 OE1 GLU A 10 8.168 -1.238 -13.224 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.444 0.615 -12.225 1.00 10.00 O ATOM 0 H GLU A 10 5.465 -2.312 -8.437 1.00 10.00 H new ATOM 0 HA GLU A 10 5.122 -3.669 -11.057 1.00 10.00 H new ATOM 0 HB2 GLU A 10 7.282 -1.822 -9.993 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.611 -2.979 -11.267 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.703 -1.951 -12.606 1.00 10.00 H new ATOM 0 HG3 GLU A 10 5.550 -0.726 -11.362 1.00 10.00 H new ATOM 161 N GLY A 11 5.946 -5.731 -9.921 1.00 10.00 N ATOM 162 CA GLY A 11 6.639 -6.976 -9.614 1.00 10.00 C ATOM 163 C GLY A 11 5.677 -8.119 -9.300 1.00 10.00 C ATOM 164 O GLY A 11 5.695 -9.151 -9.966 1.00 10.00 O ATOM 0 H GLY A 11 5.082 -5.868 -10.446 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.267 -7.256 -10.459 1.00 10.00 H new ATOM 0 HA3 GLY A 11 7.301 -6.819 -8.763 1.00 10.00 H new ATOM 168 N MET A 12 4.866 -7.953 -8.255 1.00 10.00 N ATOM 169 CA MET A 12 3.953 -8.975 -7.781 1.00 10.00 C ATOM 170 C MET A 12 2.759 -9.135 -8.711 1.00 10.00 C ATOM 171 O MET A 12 2.409 -8.208 -9.435 1.00 10.00 O ATOM 172 CB MET A 12 3.496 -8.612 -6.369 1.00 10.00 C ATOM 173 CG MET A 12 2.515 -7.429 -6.317 1.00 10.00 C ATOM 174 SD MET A 12 0.777 -7.926 -6.177 1.00 10.00 S ATOM 175 CE MET A 12 -0.056 -6.438 -6.771 1.00 10.00 C ATOM 0 H MET A 12 4.830 -7.091 -7.711 1.00 10.00 H new ATOM 0 HA MET A 12 4.473 -9.933 -7.765 1.00 10.00 H new ATOM 0 HB2 MET A 12 3.024 -9.483 -5.915 1.00 10.00 H new ATOM 0 HB3 MET A 12 4.371 -8.373 -5.765 1.00 10.00 H new ATOM 0 HG2 MET A 12 2.771 -6.794 -5.469 1.00 10.00 H new ATOM 0 HG3 MET A 12 2.640 -6.826 -7.216 1.00 10.00 H new ATOM 0 HE1 MET A 12 -1.131 -6.614 -6.811 1.00 10.00 H new ATOM 0 HE2 MET A 12 0.151 -5.610 -6.093 1.00 10.00 H new ATOM 0 HE3 MET A 12 0.309 -6.190 -7.768 1.00 10.00 H new ATOM 185 N THR A 13 2.118 -10.300 -8.633 1.00 10.00 N ATOM 186 CA THR A 13 0.915 -10.620 -9.359 1.00 10.00 C ATOM 187 C THR A 13 -0.254 -9.769 -8.856 1.00 10.00 C ATOM 188 O THR A 13 -0.498 -8.722 -9.437 1.00 10.00 O ATOM 189 CB THR A 13 0.684 -12.143 -9.279 1.00 10.00 C ATOM 190 OG1 THR A 13 1.867 -12.794 -8.839 1.00 10.00 O ATOM 191 CG2 THR A 13 0.309 -12.663 -10.659 1.00 10.00 C ATOM 0 H THR A 13 2.442 -11.064 -8.040 1.00 10.00 H new ATOM 0 HA THR A 13 1.009 -10.370 -10.416 1.00 10.00 H new ATOM 0 HB THR A 13 -0.119 -12.347 -8.571 1.00 10.00 H new ATOM 0 HG1 THR A 13 1.841 -12.897 -7.865 1.00 10.00 H new ATOM 0 HG21 THR A 13 0.144 -13.739 -10.610 1.00 10.00 H new ATOM 0 HG22 THR A 13 -0.603 -12.171 -10.998 1.00 10.00 H new ATOM 0 HG23 THR A 13 1.117 -12.451 -11.359 1.00 10.00 H new ATOM 199 N CYS A 14 -0.972 -10.195 -7.801 1.00 10.00 N ATOM 200 CA CYS A 14 -2.274 -9.664 -7.397 1.00 10.00 C ATOM 201 C CYS A 14 -3.103 -10.742 -6.699 1.00 10.00 C ATOM 202 O CYS A 14 -4.235 -11.020 -7.084 1.00 10.00 O ATOM 203 CB CYS A 14 -3.094 -9.105 -8.565 1.00 10.00 C ATOM 204 SG CYS A 14 -3.340 -10.342 -9.875 1.00 10.00 S ATOM 0 H CYS A 14 -0.645 -10.944 -7.190 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.055 -8.841 -6.717 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -4.063 -8.767 -8.199 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.588 -8.233 -8.979 1.00 10.00 H new ATOM 0 HG CYS A 14 -3.939 -11.385 -9.380 1.00 10.00 H new ATOM 210 N ALA A 15 -2.566 -11.352 -5.644 1.00 10.00 N ATOM 211 CA ALA A 15 -3.343 -12.297 -4.854 1.00 10.00 C ATOM 212 C ALA A 15 -2.679 -12.474 -3.499 1.00 10.00 C ATOM 213 O ALA A 15 -3.047 -11.825 -2.525 1.00 10.00 O ATOM 214 CB ALA A 15 -3.496 -13.631 -5.602 1.00 10.00 C ATOM 0 H ALA A 15 -1.609 -11.210 -5.322 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.349 -11.909 -4.695 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -4.079 -14.324 -4.995 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -4.006 -13.460 -6.550 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -2.511 -14.057 -5.792 1.00 10.00 H new ATOM 220 N ALA A 16 -1.660 -13.328 -3.454 1.00 10.00 N ATOM 221 CA ALA A 16 -1.018 -13.729 -2.210 1.00 10.00 C ATOM 222 C ALA A 16 -0.118 -12.593 -1.751 1.00 10.00 C ATOM 223 O ALA A 16 -0.139 -12.177 -0.596 1.00 10.00 O ATOM 224 CB ALA A 16 -0.226 -15.023 -2.422 1.00 10.00 C ATOM 0 H ALA A 16 -1.256 -13.762 -4.284 1.00 10.00 H new ATOM 0 HA ALA A 16 -1.763 -13.927 -1.440 1.00 10.00 H new ATOM 0 HB1 ALA A 16 0.251 -15.315 -1.486 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -0.902 -15.814 -2.748 1.00 10.00 H new ATOM 0 HB3 ALA A 16 0.537 -14.862 -3.183 1.00 10.00 H new ATOM 230 N CYS A 17 0.657 -12.076 -2.705 1.00 10.00 N ATOM 231 CA CYS A 17 1.480 -10.899 -2.514 1.00 10.00 C ATOM 232 C CYS A 17 0.612 -9.738 -2.036 1.00 10.00 C ATOM 233 O CYS A 17 0.824 -9.220 -0.943 1.00 10.00 O ATOM 234 CB CYS A 17 2.189 -10.557 -3.822 1.00 10.00 C ATOM 235 SG CYS A 17 3.714 -11.526 -3.968 1.00 10.00 S ATOM 0 H CYS A 17 0.726 -12.474 -3.642 1.00 10.00 H new ATOM 0 HA CYS A 17 2.237 -11.093 -1.754 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.533 -10.766 -4.667 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.420 -9.492 -3.853 1.00 10.00 H new ATOM 0 HG CYS A 17 4.311 -11.230 -5.085 1.00 10.00 H new ATOM 241 N ALA A 18 -0.400 -9.376 -2.833 1.00 10.00 N ATOM 242 CA ALA A 18 -1.409 -8.380 -2.486 1.00 10.00 C ATOM 243 C ALA A 18 -1.914 -8.581 -1.052 1.00 10.00 C ATOM 244 O ALA A 18 -1.845 -7.677 -0.225 1.00 10.00 O ATOM 245 CB ALA A 18 -2.551 -8.439 -3.504 1.00 10.00 C ATOM 0 H ALA A 18 -0.540 -9.780 -3.759 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.961 -7.387 -2.524 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -3.306 -7.696 -3.247 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -2.161 -8.231 -4.500 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.000 -9.432 -3.490 1.00 10.00 H new ATOM 251 N ASN A 19 -2.369 -9.794 -0.738 1.00 10.00 N ATOM 252 CA ASN A 19 -2.855 -10.109 0.611 1.00 10.00 C ATOM 253 C ASN A 19 -1.790 -9.836 1.685 1.00 10.00 C ATOM 254 O ASN A 19 -2.107 -9.493 2.821 1.00 10.00 O ATOM 255 CB ASN A 19 -3.351 -11.560 0.704 1.00 10.00 C ATOM 256 CG ASN A 19 -4.818 -11.723 0.307 1.00 10.00 C ATOM 257 OD1 ASN A 19 -5.580 -12.389 1.001 1.00 10.00 O ATOM 258 ND2 ASN A 19 -5.225 -11.152 -0.822 1.00 10.00 N ATOM 0 H ASN A 19 -2.412 -10.574 -1.394 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.698 -9.445 0.803 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -2.736 -12.189 0.061 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.216 -11.918 1.724 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -6.191 -11.262 -1.130 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -4.571 -10.603 -1.381 1.00 10.00 H new ATOM 265 N ARG A 20 -0.509 -10.000 1.349 1.00 10.00 N ATOM 266 CA ARG A 20 0.592 -9.738 2.255 1.00 10.00 C ATOM 267 C ARG A 20 0.781 -8.227 2.401 1.00 10.00 C ATOM 268 O ARG A 20 0.988 -7.751 3.521 1.00 10.00 O ATOM 269 CB ARG A 20 1.845 -10.472 1.752 1.00 10.00 C ATOM 270 CG ARG A 20 2.778 -10.895 2.896 1.00 10.00 C ATOM 271 CD ARG A 20 3.627 -12.105 2.483 1.00 10.00 C ATOM 272 NE ARG A 20 2.786 -13.301 2.305 1.00 10.00 N ATOM 273 CZ ARG A 20 3.214 -14.498 1.871 1.00 10.00 C ATOM 274 NH1 ARG A 20 4.504 -14.672 1.563 1.00 10.00 N ATOM 275 NH2 ARG A 20 2.350 -15.513 1.749 1.00 10.00 N ATOM 0 H ARG A 20 -0.212 -10.322 0.428 1.00 10.00 H new ATOM 0 HA ARG A 20 0.383 -10.122 3.254 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.543 -11.355 1.188 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.389 -9.825 1.064 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.428 -10.064 3.168 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.190 -11.142 3.780 1.00 10.00 H new ATOM 0 HD2 ARG A 20 4.154 -11.885 1.555 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.385 -12.298 3.242 1.00 10.00 H new ATOM 0 HE ARG A 20 1.795 -13.213 2.530 1.00 10.00 H new ATOM 0 HH11 ARG A 20 5.160 -13.897 1.658 1.00 10.00 H new ATOM 0 HH12 ARG A 20 4.832 -15.580 1.233 1.00 10.00 H new ATOM 0 HH21 ARG A 20 1.367 -15.377 1.986 1.00 10.00 H new ATOM 0 HH22 ARG A 20 2.674 -16.422 1.419 1.00 10.00 H new ATOM 289 N ILE A 21 0.669 -7.472 1.293 1.00 10.00 N ATOM 290 CA ILE A 21 0.629 -6.015 1.358 1.00 10.00 C ATOM 291 C ILE A 21 -0.331 -5.570 2.445 1.00 10.00 C ATOM 292 O ILE A 21 0.088 -4.797 3.294 1.00 10.00 O ATOM 293 CB ILE A 21 0.227 -5.315 0.045 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.021 -5.745 -1.186 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.341 -3.795 0.222 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.530 -5.553 -1.035 1.00 10.00 C ATOM 0 H ILE A 21 0.605 -7.853 0.349 1.00 10.00 H new ATOM 0 HA ILE A 21 1.656 -5.717 1.571 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.801 -5.621 -0.148 1.00 10.00 H new ATOM 0 HG12 ILE A 21 0.815 -6.795 -1.393 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.675 -5.176 -2.049 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.057 -3.298 -0.706 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.322 -3.471 1.024 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.369 -3.534 0.473 1.00 10.00 H new ATOM 0 HD11 ILE A 21 3.031 -5.879 -1.946 1.00 10.00 H new ATOM 0 HD12 ILE A 21 2.747 -4.499 -0.858 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.889 -6.144 -0.192 1.00 10.00 H new ATOM 308 N GLU A 22 -1.582 -6.045 2.442 1.00 10.00 N ATOM 309 CA GLU A 22 -2.584 -5.617 3.415 1.00 10.00 C ATOM 310 C GLU A 22 -2.014 -5.559 4.837 1.00 10.00 C ATOM 311 O GLU A 22 -2.197 -4.576 5.546 1.00 10.00 O ATOM 312 CB GLU A 22 -3.811 -6.536 3.373 1.00 10.00 C ATOM 313 CG GLU A 22 -4.500 -6.519 2.007 1.00 10.00 C ATOM 314 CD GLU A 22 -5.783 -7.336 2.034 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.656 -8.574 2.141 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.859 -6.705 1.965 1.00 10.00 O ATOM 0 H GLU A 22 -1.923 -6.732 1.769 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.888 -4.608 3.138 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.508 -7.555 3.612 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.521 -6.226 4.140 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.725 -5.491 1.722 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.825 -6.919 1.250 1.00 10.00 H new ATOM 323 N LYS A 23 -1.289 -6.601 5.253 1.00 10.00 N ATOM 324 CA LYS A 23 -0.717 -6.705 6.581 1.00 10.00 C ATOM 325 C LYS A 23 0.529 -5.825 6.702 1.00 10.00 C ATOM 326 O LYS A 23 0.747 -5.194 7.739 1.00 10.00 O ATOM 327 CB LYS A 23 -0.446 -8.185 6.888 1.00 10.00 C ATOM 328 CG LYS A 23 -0.208 -8.413 8.389 1.00 10.00 C ATOM 329 CD LYS A 23 -0.284 -9.895 8.792 1.00 10.00 C ATOM 330 CE LYS A 23 -1.673 -10.496 8.502 1.00 10.00 C ATOM 331 NZ LYS A 23 -1.945 -11.722 9.285 1.00 10.00 N ATOM 0 H LYS A 23 -1.085 -7.405 4.660 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.417 -6.333 7.329 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.292 -8.787 6.557 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.425 -8.521 6.325 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.771 -8.018 8.660 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.947 -7.849 8.958 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.476 -10.458 8.251 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.059 -9.995 9.854 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.438 -9.752 8.723 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -1.749 -10.725 7.439 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -2.892 -12.082 9.049 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.233 -12.445 9.056 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -1.901 -11.502 10.301 1.00 10.00 H new ATOM 345 N ARG A 24 1.355 -5.783 5.651 1.00 10.00 N ATOM 346 CA ARG A 24 2.536 -4.926 5.630 1.00 10.00 C ATOM 347 C ARG A 24 2.152 -3.445 5.763 1.00 10.00 C ATOM 348 O ARG A 24 2.871 -2.670 6.385 1.00 10.00 O ATOM 349 CB ARG A 24 3.357 -5.183 4.356 1.00 10.00 C ATOM 350 CG ARG A 24 4.850 -5.343 4.677 1.00 10.00 C ATOM 351 CD ARG A 24 5.169 -6.684 5.350 1.00 10.00 C ATOM 352 NE ARG A 24 5.631 -6.496 6.733 1.00 10.00 N ATOM 353 CZ ARG A 24 6.194 -7.457 7.481 1.00 10.00 C ATOM 354 NH1 ARG A 24 6.234 -8.714 7.024 1.00 10.00 N ATOM 355 NH2 ARG A 24 6.719 -7.155 8.674 1.00 10.00 N ATOM 0 H ARG A 24 1.223 -6.336 4.804 1.00 10.00 H new ATOM 0 HA ARG A 24 3.157 -5.174 6.491 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.991 -6.082 3.860 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.219 -4.356 3.659 1.00 10.00 H new ATOM 0 HG2 ARG A 24 5.427 -5.257 3.756 1.00 10.00 H new ATOM 0 HG3 ARG A 24 5.167 -4.529 5.329 1.00 10.00 H new ATOM 0 HD2 ARG A 24 4.281 -7.315 5.345 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.935 -7.207 4.777 1.00 10.00 H new ATOM 0 HE ARG A 24 5.516 -5.573 7.152 1.00 10.00 H new ATOM 0 HH11 ARG A 24 5.838 -8.938 6.111 1.00 10.00 H new ATOM 0 HH12 ARG A 24 6.661 -9.449 7.588 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.691 -6.194 9.015 1.00 10.00 H new ATOM 0 HH22 ARG A 24 7.147 -7.886 9.243 1.00 10.00 H new ATOM 369 N LEU A 25 1.022 -3.059 5.171 1.00 10.00 N ATOM 370 CA LEU A 25 0.438 -1.734 5.219 1.00 10.00 C ATOM 371 C LEU A 25 -0.354 -1.527 6.509 1.00 10.00 C ATOM 372 O LEU A 25 -0.309 -0.444 7.077 1.00 10.00 O ATOM 373 CB LEU A 25 -0.413 -1.509 3.957 1.00 10.00 C ATOM 374 CG LEU A 25 0.221 -0.418 3.088 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.227 -0.537 1.629 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.205 0.939 3.650 1.00 10.00 C ATOM 0 H LEU A 25 0.463 -3.706 4.615 1.00 10.00 H new ATOM 0 HA LEU A 25 1.229 -0.985 5.230 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.492 -2.437 3.391 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.426 -1.220 4.238 1.00 10.00 H new ATOM 0 HG LEU A 25 1.306 -0.525 3.108 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.241 0.252 1.039 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.070 -1.509 1.235 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.311 -0.438 1.572 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.233 1.736 3.049 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.292 1.019 3.622 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.139 1.031 4.680 1.00 10.00 H new ATOM 388 N ASN A 26 -1.042 -2.551 7.022 1.00 10.00 N ATOM 389 CA ASN A 26 -1.702 -2.468 8.325 1.00 10.00 C ATOM 390 C ASN A 26 -0.713 -2.024 9.412 1.00 10.00 C ATOM 391 O ASN A 26 -1.078 -1.345 10.363 1.00 10.00 O ATOM 392 CB ASN A 26 -2.355 -3.809 8.680 1.00 10.00 C ATOM 393 CG ASN A 26 -3.224 -3.739 9.933 1.00 10.00 C ATOM 394 OD1 ASN A 26 -3.718 -2.686 10.314 1.00 10.00 O ATOM 395 ND2 ASN A 26 -3.449 -4.881 10.576 1.00 10.00 N ATOM 0 H ASN A 26 -1.156 -3.449 6.552 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.488 -1.715 8.268 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.965 -4.143 7.840 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.577 -4.558 8.826 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.044 -4.891 11.405 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.027 -5.747 10.241 1.00 10.00 H new ATOM 402 N LYS A 27 0.563 -2.397 9.258 1.00 10.00 N ATOM 403 CA LYS A 27 1.656 -1.924 10.112 1.00 10.00 C ATOM 404 C LYS A 27 1.787 -0.400 10.225 1.00 10.00 C ATOM 405 O LYS A 27 2.354 0.086 11.200 1.00 10.00 O ATOM 406 CB LYS A 27 2.970 -2.558 9.626 1.00 10.00 C ATOM 407 CG LYS A 27 3.584 -3.540 10.621 1.00 10.00 C ATOM 408 CD LYS A 27 2.512 -4.445 11.244 1.00 10.00 C ATOM 409 CE LYS A 27 2.999 -5.888 11.335 1.00 10.00 C ATOM 410 NZ LYS A 27 2.175 -6.675 12.275 1.00 10.00 N ATOM 0 H LYS A 27 0.868 -3.042 8.529 1.00 10.00 H new ATOM 0 HA LYS A 27 1.417 -2.242 11.127 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.787 -3.076 8.685 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.690 -1.766 9.419 1.00 10.00 H new ATOM 0 HG2 LYS A 27 4.332 -4.152 10.117 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.100 -2.989 11.407 1.00 10.00 H new ATOM 0 HD2 LYS A 27 2.257 -4.080 12.239 1.00 10.00 H new ATOM 0 HD3 LYS A 27 1.602 -4.402 10.646 1.00 10.00 H new ATOM 0 HE2 LYS A 27 2.967 -6.348 10.347 1.00 10.00 H new ATOM 0 HE3 LYS A 27 4.039 -5.903 11.660 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 2.531 -7.651 12.315 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.226 -6.249 13.222 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.187 -6.680 11.950 1.00 10.00 H new ATOM 424 N ILE A 28 1.313 0.357 9.239 1.00 10.00 N ATOM 425 CA ILE A 28 1.244 1.809 9.326 1.00 10.00 C ATOM 426 C ILE A 28 0.332 2.221 10.487 1.00 10.00 C ATOM 427 O ILE A 28 -0.889 2.126 10.405 1.00 10.00 O ATOM 428 CB ILE A 28 0.770 2.357 7.972 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.736 1.991 6.835 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.513 3.866 7.927 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.215 2.134 7.205 1.00 10.00 C ATOM 0 H ILE A 28 0.966 -0.021 8.358 1.00 10.00 H new ATOM 0 HA ILE A 28 2.225 2.235 9.537 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.194 1.868 7.832 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.547 0.962 6.528 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.524 2.625 5.974 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.183 4.149 6.928 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.259 4.125 8.651 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.432 4.399 8.170 1.00 10.00 H new ATOM 0 HD11 ILE A 28 3.832 1.857 6.350 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.422 3.167 7.483 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.445 1.479 8.046 1.00 10.00 H new ATOM 443 N GLU A 29 0.931 2.740 11.558 1.00 10.00 N ATOM 444 CA GLU A 29 0.213 3.124 12.768 1.00 10.00 C ATOM 445 C GLU A 29 -0.921 4.114 12.472 1.00 10.00 C ATOM 446 O GLU A 29 -1.964 4.073 13.119 1.00 10.00 O ATOM 447 CB GLU A 29 1.196 3.691 13.801 1.00 10.00 C ATOM 448 CG GLU A 29 2.128 2.606 14.367 1.00 10.00 C ATOM 449 CD GLU A 29 1.412 1.704 15.368 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.105 2.216 16.467 1.00 10.00 O ATOM 451 OE2 GLU A 29 1.190 0.523 15.024 1.00 10.00 O ATOM 0 H GLU A 29 1.936 2.906 11.609 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.255 2.231 13.183 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.793 4.477 13.339 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.639 4.152 14.617 1.00 10.00 H new ATOM 0 HG2 GLU A 29 2.519 2.001 13.549 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.983 3.078 14.851 1.00 10.00 H new ATOM 458 N GLY A 30 -0.745 5.001 11.483 1.00 10.00 N ATOM 459 CA GLY A 30 -1.749 5.992 11.138 1.00 10.00 C ATOM 460 C GLY A 30 -2.758 5.492 10.105 1.00 10.00 C ATOM 461 O GLY A 30 -3.458 6.303 9.498 1.00 10.00 O ATOM 0 H GLY A 30 0.096 5.044 10.908 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.281 6.290 12.041 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.253 6.882 10.751 1.00 10.00 H new ATOM 465 N VAL A 31 -2.838 4.181 9.864 1.00 10.00 N ATOM 466 CA VAL A 31 -3.764 3.630 8.897 1.00 10.00 C ATOM 467 C VAL A 31 -5.160 3.551 9.501 1.00 10.00 C ATOM 468 O VAL A 31 -5.324 3.436 10.714 1.00 10.00 O ATOM 469 CB VAL A 31 -3.248 2.264 8.419 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.637 1.116 9.361 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.661 1.957 6.981 1.00 10.00 C ATOM 0 H VAL A 31 -2.262 3.483 10.335 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.832 4.279 8.024 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.161 2.340 8.440 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.245 0.177 8.971 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.220 1.300 10.351 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.723 1.055 9.431 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -3.272 0.981 6.691 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.749 1.950 6.908 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -3.258 2.721 6.316 1.00 10.00 H new ATOM 481 N ALA A 32 -6.165 3.580 8.629 1.00 10.00 N ATOM 482 CA ALA A 32 -7.511 3.124 8.947 1.00 10.00 C ATOM 483 C ALA A 32 -7.848 1.895 8.112 1.00 10.00 C ATOM 484 O ALA A 32 -8.374 0.922 8.645 1.00 10.00 O ATOM 485 CB ALA A 32 -8.533 4.236 8.728 1.00 10.00 C ATOM 0 H ALA A 32 -6.065 3.924 7.674 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.550 2.851 10.002 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.529 3.868 8.973 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.291 5.084 9.369 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.509 4.552 7.685 1.00 10.00 H new ATOM 491 N ASN A 33 -7.570 1.934 6.803 1.00 10.00 N ATOM 492 CA ASN A 33 -7.976 0.876 5.885 1.00 10.00 C ATOM 493 C ASN A 33 -6.888 0.702 4.828 1.00 10.00 C ATOM 494 O ASN A 33 -6.250 1.681 4.454 1.00 10.00 O ATOM 495 CB ASN A 33 -9.315 1.248 5.222 1.00 10.00 C ATOM 496 CG ASN A 33 -10.440 1.521 6.219 1.00 10.00 C ATOM 497 OD1 ASN A 33 -11.062 0.585 6.709 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.747 2.782 6.518 1.00 10.00 N ATOM 0 H ASN A 33 -7.060 2.697 6.358 1.00 10.00 H new ATOM 0 HA ASN A 33 -8.109 -0.060 6.427 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.169 2.132 4.601 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.619 0.439 4.558 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.511 2.982 7.164 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.219 3.548 6.101 1.00 10.00 H new ATOM 505 N ALA A 34 -6.678 -0.516 4.316 1.00 10.00 N ATOM 506 CA ALA A 34 -5.777 -0.743 3.185 1.00 10.00 C ATOM 507 C ALA A 34 -6.224 -1.918 2.301 1.00 10.00 C ATOM 508 O ALA A 34 -5.444 -2.844 2.080 1.00 10.00 O ATOM 509 CB ALA A 34 -4.343 -0.923 3.700 1.00 10.00 C ATOM 0 H ALA A 34 -7.123 -1.362 4.671 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.811 0.135 2.541 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.672 -1.092 2.858 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -4.034 -0.026 4.236 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.303 -1.779 4.373 1.00 10.00 H new ATOM 515 N PRO A 35 -7.459 -1.900 1.770 1.00 10.00 N ATOM 516 CA PRO A 35 -7.964 -2.948 0.896 1.00 10.00 C ATOM 517 C PRO A 35 -7.330 -2.815 -0.495 1.00 10.00 C ATOM 518 O PRO A 35 -7.927 -2.261 -1.416 1.00 10.00 O ATOM 519 CB PRO A 35 -9.482 -2.739 0.875 1.00 10.00 C ATOM 520 CG PRO A 35 -9.621 -1.224 1.032 1.00 10.00 C ATOM 521 CD PRO A 35 -8.478 -0.885 1.986 1.00 10.00 C ATOM 0 HA PRO A 35 -7.718 -3.954 1.237 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.925 -3.091 -0.057 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.975 -3.276 1.685 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.521 -0.706 0.078 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.591 -0.946 1.445 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -8.085 0.111 1.785 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.820 -0.890 3.021 1.00 10.00 H new ATOM 529 N VAL A 36 -6.102 -3.311 -0.644 1.00 10.00 N ATOM 530 CA VAL A 36 -5.384 -3.327 -1.907 1.00 10.00 C ATOM 531 C VAL A 36 -6.112 -4.174 -2.955 1.00 10.00 C ATOM 532 O VAL A 36 -6.879 -5.074 -2.608 1.00 10.00 O ATOM 533 CB VAL A 36 -3.961 -3.846 -1.672 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.319 -3.167 -0.454 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.921 -5.362 -1.471 1.00 10.00 C ATOM 0 H VAL A 36 -5.573 -3.719 0.127 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.336 -2.310 -2.298 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.397 -3.601 -2.572 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.310 -3.554 -0.311 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.274 -2.091 -0.619 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.916 -3.373 0.434 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.891 -5.680 -1.308 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.525 -5.630 -0.604 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.318 -5.857 -2.357 1.00 10.00 H new ATOM 545 N ASN A 37 -5.846 -3.927 -4.243 1.00 10.00 N ATOM 546 CA ASN A 37 -6.602 -4.603 -5.292 1.00 10.00 C ATOM 547 C ASN A 37 -5.926 -5.895 -5.749 1.00 10.00 C ATOM 548 O ASN A 37 -4.851 -5.875 -6.346 1.00 10.00 O ATOM 549 CB ASN A 37 -6.838 -3.672 -6.475 1.00 10.00 C ATOM 550 CG ASN A 37 -7.681 -2.469 -6.074 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.820 -2.620 -5.644 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.129 -1.274 -6.214 1.00 10.00 N ATOM 0 H ASN A 37 -5.130 -3.280 -4.574 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.567 -4.877 -4.865 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.880 -3.332 -6.870 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.337 -4.218 -7.276 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.654 -0.437 -5.961 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.179 -1.190 -6.575 1.00 10.00 H new ATOM 559 N PHE A 38 -6.603 -7.025 -5.541 1.00 10.00 N ATOM 560 CA PHE A 38 -6.139 -8.365 -5.886 1.00 10.00 C ATOM 561 C PHE A 38 -6.572 -8.755 -7.304 1.00 10.00 C ATOM 562 O PHE A 38 -7.057 -9.858 -7.536 1.00 10.00 O ATOM 563 CB PHE A 38 -6.630 -9.355 -4.817 1.00 10.00 C ATOM 564 CG PHE A 38 -8.053 -9.113 -4.342 1.00 10.00 C ATOM 565 CD1 PHE A 38 -9.143 -9.563 -5.112 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.282 -8.273 -3.234 1.00 10.00 C ATOM 567 CE1 PHE A 38 -10.450 -9.159 -4.789 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.588 -7.862 -2.918 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.672 -8.304 -3.695 1.00 10.00 C ATOM 0 H PHE A 38 -7.527 -7.029 -5.110 1.00 10.00 H new ATOM 0 HA PHE A 38 -5.049 -8.389 -5.894 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -6.561 -10.367 -5.217 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.960 -9.305 -3.959 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -8.974 -10.220 -5.952 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.452 -7.944 -2.626 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -11.284 -9.505 -5.381 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.759 -7.206 -2.077 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.675 -7.987 -3.452 1.00 10.00 H new ATOM 579 N ALA A 39 -6.342 -7.853 -8.264 1.00 10.00 N ATOM 580 CA ALA A 39 -6.395 -8.157 -9.692 1.00 10.00 C ATOM 581 C ALA A 39 -5.894 -6.971 -10.512 1.00 10.00 C ATOM 582 O ALA A 39 -5.245 -7.136 -11.537 1.00 10.00 O ATOM 583 CB ALA A 39 -7.827 -8.471 -10.132 1.00 10.00 C ATOM 0 H ALA A 39 -6.111 -6.880 -8.065 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.759 -9.026 -9.862 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.839 -8.694 -11.199 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -8.197 -9.333 -9.577 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -8.466 -7.610 -9.934 1.00 10.00 H new ATOM 589 N LEU A 40 -6.256 -5.765 -10.070 1.00 10.00 N ATOM 590 CA LEU A 40 -6.103 -4.540 -10.842 1.00 10.00 C ATOM 591 C LEU A 40 -4.657 -4.039 -10.840 1.00 10.00 C ATOM 592 O LEU A 40 -4.317 -3.155 -11.622 1.00 10.00 O ATOM 593 CB LEU A 40 -7.022 -3.459 -10.264 1.00 10.00 C ATOM 594 CG LEU A 40 -8.450 -3.923 -9.931 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.246 -2.694 -9.491 1.00 10.00 C ATOM 596 CD2 LEU A 40 -9.122 -4.644 -11.099 1.00 10.00 C ATOM 0 H LEU A 40 -6.670 -5.615 -9.150 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.376 -4.758 -11.875 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.565 -3.063 -9.357 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.081 -2.636 -10.976 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.413 -4.658 -9.127 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.266 -2.990 -9.247 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.776 -2.252 -8.612 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.264 -1.963 -10.300 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.127 -4.949 -10.808 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.180 -3.973 -11.956 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.539 -5.525 -11.367 1.00 10.00 H new ATOM 608 N GLU A 41 -3.844 -4.572 -9.924 1.00 10.00 N ATOM 609 CA GLU A 41 -2.439 -4.225 -9.738 1.00 10.00 C ATOM 610 C GLU A 41 -2.321 -2.777 -9.271 1.00 10.00 C ATOM 611 O GLU A 41 -1.512 -2.001 -9.771 1.00 10.00 O ATOM 612 CB GLU A 41 -1.600 -4.521 -10.992 1.00 10.00 C ATOM 613 CG GLU A 41 -1.497 -6.025 -11.256 1.00 10.00 C ATOM 614 CD GLU A 41 -0.578 -6.331 -12.432 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.613 -5.968 -12.331 1.00 10.00 O ATOM 616 OE2 GLU A 41 -1.081 -6.911 -13.419 1.00 10.00 O ATOM 0 H GLU A 41 -4.162 -5.285 -9.268 1.00 10.00 H new ATOM 0 HA GLU A 41 -2.022 -4.861 -8.957 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -2.048 -4.029 -11.855 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.601 -4.103 -10.870 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.124 -6.526 -10.363 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.490 -6.428 -11.456 1.00 10.00 H new ATOM 623 N THR A 42 -3.135 -2.429 -8.276 1.00 10.00 N ATOM 624 CA THR A 42 -3.141 -1.126 -7.643 1.00 10.00 C ATOM 625 C THR A 42 -3.350 -1.331 -6.145 1.00 10.00 C ATOM 626 O THR A 42 -4.246 -2.064 -5.724 1.00 10.00 O ATOM 627 CB THR A 42 -4.243 -0.259 -8.263 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.450 -0.987 -8.352 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.857 0.229 -9.662 1.00 10.00 C ATOM 0 H THR A 42 -3.825 -3.069 -7.882 1.00 10.00 H new ATOM 0 HA THR A 42 -2.196 -0.606 -7.798 1.00 10.00 H new ATOM 0 HB THR A 42 -4.375 0.606 -7.613 1.00 10.00 H new ATOM 0 HG1 THR A 42 -6.145 -0.421 -8.748 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.662 0.840 -10.069 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.945 0.824 -9.601 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.688 -0.629 -10.313 1.00 10.00 H new ATOM 637 N VAL A 43 -2.513 -0.697 -5.330 1.00 10.00 N ATOM 638 CA VAL A 43 -2.697 -0.654 -3.887 1.00 10.00 C ATOM 639 C VAL A 43 -3.417 0.654 -3.567 1.00 10.00 C ATOM 640 O VAL A 43 -3.092 1.697 -4.136 1.00 10.00 O ATOM 641 CB VAL A 43 -1.330 -0.788 -3.207 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.287 -0.315 -1.750 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.797 -2.224 -3.298 1.00 10.00 C ATOM 0 H VAL A 43 -1.685 -0.197 -5.655 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.305 -1.477 -3.511 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.684 -0.113 -3.767 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.280 -0.448 -1.354 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.559 0.739 -1.702 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.991 -0.899 -1.157 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.174 -2.284 -2.806 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.495 -2.903 -2.808 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.691 -2.507 -4.345 1.00 10.00 H new ATOM 653 N THR A 44 -4.395 0.580 -2.665 1.00 10.00 N ATOM 654 CA THR A 44 -5.280 1.663 -2.286 1.00 10.00 C ATOM 655 C THR A 44 -5.255 1.725 -0.758 1.00 10.00 C ATOM 656 O THR A 44 -5.670 0.763 -0.111 1.00 10.00 O ATOM 657 CB THR A 44 -6.682 1.328 -2.824 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.675 1.252 -4.239 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.717 2.351 -2.364 1.00 10.00 C ATOM 0 H THR A 44 -4.595 -0.282 -2.158 1.00 10.00 H new ATOM 0 HA THR A 44 -4.983 2.630 -2.692 1.00 10.00 H new ATOM 0 HB THR A 44 -6.960 0.355 -2.419 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.576 1.036 -4.559 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.695 2.083 -2.763 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.759 2.361 -1.275 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.436 3.340 -2.726 1.00 10.00 H new ATOM 667 N VAL A 45 -4.745 2.819 -0.179 1.00 10.00 N ATOM 668 CA VAL A 45 -4.629 2.982 1.264 1.00 10.00 C ATOM 669 C VAL A 45 -5.514 4.132 1.726 1.00 10.00 C ATOM 670 O VAL A 45 -5.635 5.146 1.037 1.00 10.00 O ATOM 671 CB VAL A 45 -3.169 3.236 1.668 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.009 3.262 3.193 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.266 2.139 1.101 1.00 10.00 C ATOM 0 H VAL A 45 -4.400 3.619 -0.709 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.959 2.062 1.747 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.882 4.207 1.263 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.965 3.444 3.446 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.627 4.057 3.610 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.321 2.304 3.608 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.234 2.330 1.394 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.581 1.171 1.491 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.339 2.133 0.013 1.00 10.00 H new ATOM 683 N GLU A 46 -6.095 3.962 2.913 1.00 10.00 N ATOM 684 CA GLU A 46 -6.714 5.002 3.700 1.00 10.00 C ATOM 685 C GLU A 46 -5.901 5.165 4.985 1.00 10.00 C ATOM 686 O GLU A 46 -5.943 4.299 5.867 1.00 10.00 O ATOM 687 CB GLU A 46 -8.150 4.607 4.021 1.00 10.00 C ATOM 688 CG GLU A 46 -9.043 5.837 3.972 1.00 10.00 C ATOM 689 CD GLU A 46 -10.404 5.410 4.435 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.554 5.329 5.673 1.00 10.00 O ATOM 691 OE2 GLU A 46 -11.183 5.036 3.528 1.00 10.00 O ATOM 0 H GLU A 46 -6.144 3.048 3.364 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.733 5.945 3.154 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.501 3.862 3.307 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.199 4.149 5.009 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.648 6.626 4.612 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -9.089 6.240 2.960 1.00 10.00 H new ATOM 698 N TYR A 47 -5.154 6.263 5.091 1.00 10.00 N ATOM 699 CA TYR A 47 -4.312 6.528 6.245 1.00 10.00 C ATOM 700 C TYR A 47 -4.210 8.025 6.472 1.00 10.00 C ATOM 701 O TYR A 47 -4.541 8.812 5.590 1.00 10.00 O ATOM 702 CB TYR A 47 -2.917 5.911 6.070 1.00 10.00 C ATOM 703 CG TYR A 47 -1.953 6.711 5.214 1.00 10.00 C ATOM 704 CD1 TYR A 47 -2.236 6.974 3.859 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.873 7.361 5.836 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.506 7.956 3.168 1.00 10.00 C ATOM 707 CE2 TYR A 47 -0.157 8.349 5.147 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.499 8.678 3.831 1.00 10.00 C ATOM 709 OH TYR A 47 0.128 9.721 3.218 1.00 10.00 O ATOM 0 H TYR A 47 -5.119 6.990 4.377 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.769 6.064 7.119 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.473 5.774 7.056 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -3.029 4.920 5.631 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -3.013 6.421 3.352 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.595 7.099 6.846 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.719 8.156 2.128 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.662 8.858 5.634 1.00 10.00 H new ATOM 0 HH TYR A 47 0.795 10.104 3.825 1.00 10.00 H new ATOM 719 N ASN A 48 -3.754 8.409 7.657 1.00 10.00 N ATOM 720 CA ASN A 48 -3.505 9.805 7.988 1.00 10.00 C ATOM 721 C ASN A 48 -2.037 10.157 7.724 1.00 10.00 C ATOM 722 O ASN A 48 -1.153 9.437 8.188 1.00 10.00 O ATOM 723 CB ASN A 48 -3.919 10.107 9.434 1.00 10.00 C ATOM 724 CG ASN A 48 -3.000 9.528 10.512 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.873 9.968 10.705 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.485 8.564 11.284 1.00 10.00 N ATOM 0 H ASN A 48 -3.546 7.760 8.416 1.00 10.00 H new ATOM 0 HA ASN A 48 -4.118 10.436 7.344 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.966 11.188 9.563 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.926 9.723 9.594 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -2.919 8.185 12.043 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.424 8.202 11.118 1.00 10.00 H new ATOM 733 N PRO A 49 -1.733 11.262 7.024 1.00 10.00 N ATOM 734 CA PRO A 49 -0.375 11.772 6.933 1.00 10.00 C ATOM 735 C PRO A 49 -0.012 12.497 8.236 1.00 10.00 C ATOM 736 O PRO A 49 0.254 13.697 8.228 1.00 10.00 O ATOM 737 CB PRO A 49 -0.384 12.689 5.705 1.00 10.00 C ATOM 738 CG PRO A 49 -1.808 13.244 5.699 1.00 10.00 C ATOM 739 CD PRO A 49 -2.641 12.073 6.224 1.00 10.00 C ATOM 0 HA PRO A 49 0.382 10.997 6.814 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.358 13.483 5.789 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.161 12.140 4.790 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.901 14.122 6.338 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.120 13.543 4.698 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.479 12.428 6.824 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -3.061 11.493 5.402 1.00 10.00 H new ATOM 747 N LYS A 50 -0.005 11.771 9.363 1.00 10.00 N ATOM 748 CA LYS A 50 0.428 12.292 10.661 1.00 10.00 C ATOM 749 C LYS A 50 1.440 11.320 11.276 1.00 10.00 C ATOM 750 O LYS A 50 2.509 11.738 11.712 1.00 10.00 O ATOM 751 CB LYS A 50 -0.788 12.638 11.560 1.00 10.00 C ATOM 752 CG LYS A 50 -0.936 11.830 12.865 1.00 10.00 C ATOM 753 CD LYS A 50 -2.330 11.995 13.491 1.00 10.00 C ATOM 754 CE LYS A 50 -2.655 10.816 14.424 1.00 10.00 C ATOM 755 NZ LYS A 50 -1.679 10.673 15.519 1.00 10.00 N ATOM 0 H LYS A 50 -0.303 10.796 9.396 1.00 10.00 H new ATOM 0 HA LYS A 50 0.947 13.243 10.544 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.730 13.695 11.819 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.696 12.503 10.972 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -0.753 10.775 12.661 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -0.178 12.152 13.579 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -2.374 12.930 14.050 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -3.081 12.059 12.704 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -3.650 10.955 14.846 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -2.681 9.894 13.843 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -1.717 9.704 15.894 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -0.723 10.868 15.159 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -1.907 11.347 16.278 1.00 10.00 H new ATOM 769 N GLU A 51 1.100 10.027 11.293 1.00 10.00 N ATOM 770 CA GLU A 51 1.875 9.011 11.997 1.00 10.00 C ATOM 771 C GLU A 51 2.950 8.389 11.098 1.00 10.00 C ATOM 772 O GLU A 51 3.969 7.902 11.583 1.00 10.00 O ATOM 773 CB GLU A 51 0.915 7.927 12.523 1.00 10.00 C ATOM 774 CG GLU A 51 1.089 7.666 14.025 1.00 10.00 C ATOM 775 CD GLU A 51 0.339 8.698 14.852 1.00 10.00 C ATOM 776 OE1 GLU A 51 0.667 9.902 14.762 1.00 10.00 O ATOM 777 OE2 GLU A 51 -0.668 8.334 15.502 1.00 10.00 O ATOM 0 H GLU A 51 0.277 9.659 10.816 1.00 10.00 H new ATOM 0 HA GLU A 51 2.394 9.484 12.830 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.113 8.231 12.327 1.00 10.00 H new ATOM 0 HB3 GLU A 51 1.083 7.000 11.975 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.726 6.667 14.268 1.00 10.00 H new ATOM 0 HG3 GLU A 51 2.148 7.691 14.281 1.00 10.00 H new ATOM 784 N ALA A 52 2.691 8.347 9.790 1.00 10.00 N ATOM 785 CA ALA A 52 3.460 7.621 8.788 1.00 10.00 C ATOM 786 C ALA A 52 3.190 8.302 7.443 1.00 10.00 C ATOM 787 O ALA A 52 2.291 9.143 7.378 1.00 10.00 O ATOM 788 CB ALA A 52 2.974 6.178 8.777 1.00 10.00 C ATOM 0 H ALA A 52 1.898 8.845 9.384 1.00 10.00 H new ATOM 0 HA ALA A 52 4.530 7.626 8.995 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.535 5.611 8.034 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.126 5.735 9.761 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.913 6.153 8.528 1.00 10.00 H new ATOM 794 N SER A 53 3.932 7.960 6.385 1.00 10.00 N ATOM 795 CA SER A 53 3.791 8.564 5.066 1.00 10.00 C ATOM 796 C SER A 53 3.808 7.528 3.938 1.00 10.00 C ATOM 797 O SER A 53 4.169 6.361 4.116 1.00 10.00 O ATOM 798 CB SER A 53 4.914 9.589 4.866 1.00 10.00 C ATOM 799 OG SER A 53 6.152 8.933 4.670 1.00 10.00 O ATOM 0 H SER A 53 4.657 7.244 6.427 1.00 10.00 H new ATOM 0 HA SER A 53 2.818 9.053 5.022 1.00 10.00 H new ATOM 0 HB2 SER A 53 4.690 10.220 4.006 1.00 10.00 H new ATOM 0 HB3 SER A 53 4.976 10.244 5.735 1.00 10.00 H new ATOM 0 HG SER A 53 6.212 8.161 5.271 1.00 10.00 H new ATOM 805 N VAL A 54 3.472 8.002 2.735 1.00 10.00 N ATOM 806 CA VAL A 54 3.591 7.270 1.481 1.00 10.00 C ATOM 807 C VAL A 54 4.977 6.620 1.337 1.00 10.00 C ATOM 808 O VAL A 54 5.101 5.475 0.894 1.00 10.00 O ATOM 809 CB VAL A 54 3.239 8.196 0.297 1.00 10.00 C ATOM 810 CG1 VAL A 54 1.783 8.670 0.414 1.00 10.00 C ATOM 811 CG2 VAL A 54 4.141 9.432 0.181 1.00 10.00 C ATOM 0 H VAL A 54 3.096 8.942 2.608 1.00 10.00 H new ATOM 0 HA VAL A 54 2.875 6.448 1.481 1.00 10.00 H new ATOM 0 HB VAL A 54 3.394 7.595 -0.599 1.00 10.00 H new ATOM 0 HG11 VAL A 54 1.544 9.323 -0.426 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.117 7.807 0.403 1.00 10.00 H new ATOM 0 HG13 VAL A 54 1.652 9.217 1.347 1.00 10.00 H new ATOM 0 HG21 VAL A 54 3.829 10.031 -0.675 1.00 10.00 H new ATOM 0 HG22 VAL A 54 4.060 10.028 1.090 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.175 9.116 0.045 1.00 10.00 H new ATOM 821 N SER A 55 6.025 7.345 1.730 1.00 10.00 N ATOM 822 CA SER A 55 7.397 6.877 1.654 1.00 10.00 C ATOM 823 C SER A 55 7.648 5.707 2.604 1.00 10.00 C ATOM 824 O SER A 55 8.413 4.796 2.270 1.00 10.00 O ATOM 825 CB SER A 55 8.339 8.046 1.952 1.00 10.00 C ATOM 826 OG SER A 55 8.111 9.066 0.996 1.00 10.00 O ATOM 0 H SER A 55 5.937 8.286 2.114 1.00 10.00 H new ATOM 0 HA SER A 55 7.589 6.506 0.647 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.164 8.425 2.959 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.377 7.715 1.912 1.00 10.00 H new ATOM 0 HG SER A 55 8.707 9.823 1.176 1.00 10.00 H new ATOM 832 N ASP A 56 7.017 5.719 3.779 1.00 10.00 N ATOM 833 CA ASP A 56 7.174 4.652 4.742 1.00 10.00 C ATOM 834 C ASP A 56 6.478 3.421 4.186 1.00 10.00 C ATOM 835 O ASP A 56 7.080 2.360 4.053 1.00 10.00 O ATOM 836 CB ASP A 56 6.569 5.068 6.085 1.00 10.00 C ATOM 837 CG ASP A 56 7.216 6.327 6.631 1.00 10.00 C ATOM 838 OD1 ASP A 56 8.437 6.289 6.883 1.00 10.00 O ATOM 839 OD2 ASP A 56 6.472 7.326 6.733 1.00 10.00 O ATOM 0 H ASP A 56 6.390 6.466 4.079 1.00 10.00 H new ATOM 0 HA ASP A 56 8.228 4.433 4.911 1.00 10.00 H new ATOM 0 HB2 ASP A 56 5.498 5.233 5.965 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.689 4.257 6.804 1.00 10.00 H new ATOM 844 N LEU A 57 5.209 3.565 3.807 1.00 10.00 N ATOM 845 CA LEU A 57 4.421 2.415 3.400 1.00 10.00 C ATOM 846 C LEU A 57 4.955 1.787 2.108 1.00 10.00 C ATOM 847 O LEU A 57 5.008 0.564 2.009 1.00 10.00 O ATOM 848 CB LEU A 57 2.930 2.748 3.442 1.00 10.00 C ATOM 849 CG LEU A 57 2.463 3.707 2.348 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.133 2.951 1.057 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.272 4.545 2.836 1.00 10.00 C ATOM 0 H LEU A 57 4.714 4.456 3.775 1.00 10.00 H new ATOM 0 HA LEU A 57 4.535 1.606 4.122 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.361 1.821 3.362 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.695 3.183 4.413 1.00 10.00 H new ATOM 0 HG LEU A 57 3.279 4.393 2.120 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.803 3.658 0.296 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.022 2.427 0.705 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.339 2.230 1.251 1.00 10.00 H new ATOM 0 HD21 LEU A 57 0.954 5.222 2.043 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.447 3.884 3.102 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.569 5.125 3.710 1.00 10.00 H new ATOM 863 N LYS A 58 5.462 2.584 1.156 1.00 10.00 N ATOM 864 CA LYS A 58 6.356 2.070 0.126 1.00 10.00 C ATOM 865 C LYS A 58 7.350 1.042 0.671 1.00 10.00 C ATOM 866 O LYS A 58 7.486 -0.033 0.094 1.00 10.00 O ATOM 867 CB LYS A 58 7.108 3.237 -0.528 1.00 10.00 C ATOM 868 CG LYS A 58 8.262 2.749 -1.419 1.00 10.00 C ATOM 869 CD LYS A 58 9.348 3.794 -1.656 1.00 10.00 C ATOM 870 CE LYS A 58 10.051 4.414 -0.431 1.00 10.00 C ATOM 871 NZ LYS A 58 10.160 3.519 0.742 1.00 10.00 N ATOM 0 H LYS A 58 5.265 3.582 1.084 1.00 10.00 H new ATOM 0 HA LYS A 58 5.744 1.556 -0.615 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.413 3.827 -1.125 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.501 3.895 0.247 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.713 1.868 -0.962 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.857 2.436 -2.381 1.00 10.00 H new ATOM 0 HD2 LYS A 58 10.115 3.339 -2.283 1.00 10.00 H new ATOM 0 HD3 LYS A 58 8.906 4.607 -2.232 1.00 10.00 H new ATOM 0 HE2 LYS A 58 11.053 4.728 -0.725 1.00 10.00 H new ATOM 0 HE3 LYS A 58 9.509 5.313 -0.135 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 11.032 3.737 1.265 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.339 3.661 1.364 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.186 2.530 0.423 1.00 10.00 H new ATOM 885 N GLU A 59 8.115 1.394 1.709 1.00 10.00 N ATOM 886 CA GLU A 59 9.174 0.542 2.226 1.00 10.00 C ATOM 887 C GLU A 59 8.628 -0.846 2.567 1.00 10.00 C ATOM 888 O GLU A 59 9.296 -1.861 2.386 1.00 10.00 O ATOM 889 CB GLU A 59 9.779 1.196 3.475 1.00 10.00 C ATOM 890 CG GLU A 59 11.192 0.654 3.715 1.00 10.00 C ATOM 891 CD GLU A 59 11.440 0.336 5.185 1.00 10.00 C ATOM 892 OE1 GLU A 59 11.086 -0.794 5.587 1.00 10.00 O ATOM 893 OE2 GLU A 59 11.968 1.232 5.873 1.00 10.00 O ATOM 0 H GLU A 59 8.013 2.277 2.209 1.00 10.00 H new ATOM 0 HA GLU A 59 9.945 0.425 1.465 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.812 2.278 3.350 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.151 0.994 4.342 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.341 -0.247 3.119 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.924 1.386 3.374 1.00 10.00 H new ATOM 900 N ALA A 60 7.374 -0.876 3.021 1.00 10.00 N ATOM 901 CA ALA A 60 6.691 -2.109 3.379 1.00 10.00 C ATOM 902 C ALA A 60 6.665 -3.033 2.158 1.00 10.00 C ATOM 903 O ALA A 60 7.088 -4.189 2.210 1.00 10.00 O ATOM 904 CB ALA A 60 5.280 -1.778 3.889 1.00 10.00 C ATOM 0 H ALA A 60 6.805 -0.039 3.149 1.00 10.00 H new ATOM 0 HA ALA A 60 7.216 -2.628 4.181 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.765 -2.700 4.158 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.352 -1.133 4.765 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.721 -1.266 3.106 1.00 10.00 H new ATOM 910 N VAL A 61 6.186 -2.488 1.041 1.00 10.00 N ATOM 911 CA VAL A 61 6.146 -3.179 -0.237 1.00 10.00 C ATOM 912 C VAL A 61 7.566 -3.507 -0.722 1.00 10.00 C ATOM 913 O VAL A 61 7.820 -4.621 -1.177 1.00 10.00 O ATOM 914 CB VAL A 61 5.358 -2.344 -1.255 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.202 -3.115 -2.573 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.967 -1.988 -0.712 1.00 10.00 C ATOM 0 H VAL A 61 5.811 -1.540 1.003 1.00 10.00 H new ATOM 0 HA VAL A 61 5.628 -4.131 -0.119 1.00 10.00 H new ATOM 0 HB VAL A 61 5.916 -1.425 -1.434 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.641 -2.509 -3.285 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.187 -3.337 -2.983 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.667 -4.047 -2.388 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.428 -1.396 -1.452 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.412 -2.903 -0.505 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.072 -1.412 0.207 1.00 10.00 H new ATOM 926 N ASP A 62 8.497 -2.556 -0.592 1.00 10.00 N ATOM 927 CA ASP A 62 9.867 -2.717 -1.066 1.00 10.00 C ATOM 928 C ASP A 62 10.484 -3.954 -0.415 1.00 10.00 C ATOM 929 O ASP A 62 10.949 -4.868 -1.095 1.00 10.00 O ATOM 930 CB ASP A 62 10.679 -1.443 -0.804 1.00 10.00 C ATOM 931 CG ASP A 62 11.959 -1.448 -1.631 1.00 10.00 C ATOM 932 OD1 ASP A 62 12.968 -1.966 -1.111 1.00 10.00 O ATOM 933 OD2 ASP A 62 11.906 -0.926 -2.768 1.00 10.00 O ATOM 0 H ASP A 62 8.317 -1.653 -0.154 1.00 10.00 H new ATOM 0 HA ASP A 62 9.874 -2.871 -2.145 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.081 -0.566 -1.053 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.924 -1.372 0.256 1.00 10.00 H new ATOM 938 N LYS A 63 10.381 -4.023 0.914 1.00 10.00 N ATOM 939 CA LYS A 63 10.839 -5.147 1.712 1.00 10.00 C ATOM 940 C LYS A 63 10.144 -6.450 1.309 1.00 10.00 C ATOM 941 O LYS A 63 10.765 -7.510 1.345 1.00 10.00 O ATOM 942 CB LYS A 63 10.640 -4.817 3.194 1.00 10.00 C ATOM 943 CG LYS A 63 11.220 -5.930 4.079 1.00 10.00 C ATOM 944 CD LYS A 63 11.432 -5.442 5.516 1.00 10.00 C ATOM 945 CE LYS A 63 12.031 -6.570 6.370 1.00 10.00 C ATOM 946 NZ LYS A 63 12.471 -6.089 7.696 1.00 10.00 N ATOM 0 H LYS A 63 9.966 -3.277 1.472 1.00 10.00 H new ATOM 0 HA LYS A 63 11.901 -5.310 1.529 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.124 -3.869 3.429 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.578 -4.694 3.405 1.00 10.00 H new ATOM 0 HG2 LYS A 63 10.546 -6.787 4.079 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.169 -6.271 3.664 1.00 10.00 H new ATOM 0 HD2 LYS A 63 12.097 -4.578 5.521 1.00 10.00 H new ATOM 0 HD3 LYS A 63 10.483 -5.116 5.942 1.00 10.00 H new ATOM 0 HE2 LYS A 63 11.290 -7.359 6.499 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.879 -7.011 5.845 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 12.868 -6.882 8.239 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 13.197 -5.354 7.575 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 11.658 -5.692 8.209 1.00 10.00 H new ATOM 960 N LEU A 64 8.861 -6.391 0.938 1.00 10.00 N ATOM 961 CA LEU A 64 8.140 -7.509 0.358 1.00 10.00 C ATOM 962 C LEU A 64 8.883 -8.106 -0.850 1.00 10.00 C ATOM 963 O LEU A 64 8.780 -9.306 -1.091 1.00 10.00 O ATOM 964 CB LEU A 64 6.718 -7.055 -0.031 1.00 10.00 C ATOM 965 CG LEU A 64 5.559 -7.893 0.517 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.878 -9.381 0.498 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.178 -7.441 1.923 1.00 10.00 C ATOM 0 H LEU A 64 8.293 -5.549 1.037 1.00 10.00 H new ATOM 0 HA LEU A 64 8.072 -8.301 1.104 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.584 -6.027 0.305 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.648 -7.046 -1.119 1.00 10.00 H new ATOM 0 HG LEU A 64 4.705 -7.733 -0.141 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.030 -9.940 0.895 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.074 -9.698 -0.526 1.00 10.00 H new ATOM 0 HD13 LEU A 64 6.758 -9.572 1.112 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.353 -8.051 2.290 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.036 -7.553 2.586 1.00 10.00 H new ATOM 0 HD23 LEU A 64 4.873 -6.395 1.899 1.00 10.00 H new ATOM 979 N GLY A 65 9.627 -7.281 -1.599 1.00 10.00 N ATOM 980 CA GLY A 65 10.526 -7.723 -2.659 1.00 10.00 C ATOM 981 C GLY A 65 10.158 -7.160 -4.032 1.00 10.00 C ATOM 982 O GLY A 65 10.661 -7.642 -5.044 1.00 10.00 O ATOM 0 H GLY A 65 9.616 -6.268 -1.478 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.544 -7.424 -2.411 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.516 -8.812 -2.705 1.00 10.00 H new ATOM 986 N TYR A 66 9.275 -6.162 -4.089 1.00 10.00 N ATOM 987 CA TYR A 66 8.828 -5.515 -5.317 1.00 10.00 C ATOM 988 C TYR A 66 8.488 -4.075 -4.963 1.00 10.00 C ATOM 989 O TYR A 66 8.353 -3.766 -3.786 1.00 10.00 O ATOM 990 CB TYR A 66 7.640 -6.270 -5.927 1.00 10.00 C ATOM 991 CG TYR A 66 6.737 -6.963 -4.929 1.00 10.00 C ATOM 992 CD1 TYR A 66 7.040 -8.276 -4.522 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.621 -6.302 -4.386 1.00 10.00 C ATOM 994 CE1 TYR A 66 6.243 -8.920 -3.566 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.790 -6.975 -3.478 1.00 10.00 C ATOM 996 CZ TYR A 66 5.101 -8.278 -3.063 1.00 10.00 C ATOM 997 OH TYR A 66 4.270 -8.935 -2.207 1.00 10.00 O ATOM 0 H TYR A 66 8.839 -5.772 -3.254 1.00 10.00 H new ATOM 0 HA TYR A 66 9.607 -5.527 -6.080 1.00 10.00 H new ATOM 0 HB2 TYR A 66 7.042 -5.567 -6.507 1.00 10.00 H new ATOM 0 HB3 TYR A 66 8.023 -7.015 -6.625 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.890 -8.789 -4.948 1.00 10.00 H new ATOM 0 HD2 TYR A 66 5.405 -5.282 -4.666 1.00 10.00 H new ATOM 0 HE1 TYR A 66 6.507 -9.908 -3.217 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.905 -6.487 -3.096 1.00 10.00 H new ATOM 0 HH TYR A 66 4.232 -9.883 -2.451 1.00 10.00 H new ATOM 1007 N LYS A 67 8.411 -3.175 -5.944 1.00 10.00 N ATOM 1008 CA LYS A 67 8.406 -1.748 -5.678 1.00 10.00 C ATOM 1009 C LYS A 67 7.012 -1.143 -5.828 1.00 10.00 C ATOM 1010 O LYS A 67 6.155 -1.657 -6.550 1.00 10.00 O ATOM 1011 CB LYS A 67 9.458 -1.089 -6.575 1.00 10.00 C ATOM 1012 CG LYS A 67 10.811 -1.027 -5.845 1.00 10.00 C ATOM 1013 CD LYS A 67 11.979 -1.277 -6.802 1.00 10.00 C ATOM 1014 CE LYS A 67 13.303 -1.061 -6.054 1.00 10.00 C ATOM 1015 NZ LYS A 67 14.463 -1.522 -6.843 1.00 10.00 N ATOM 0 H LYS A 67 8.351 -3.417 -6.933 1.00 10.00 H new ATOM 0 HA LYS A 67 8.673 -1.560 -4.638 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.562 -1.653 -7.502 1.00 10.00 H new ATOM 0 HB3 LYS A 67 9.137 -0.084 -6.848 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.927 -0.050 -5.375 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.829 -1.769 -5.047 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.931 -2.293 -7.195 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.916 -0.602 -7.655 1.00 10.00 H new ATOM 0 HE2 LYS A 67 13.420 -0.003 -5.821 1.00 10.00 H new ATOM 0 HE3 LYS A 67 13.275 -1.595 -5.104 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 15.337 -1.359 -6.303 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 14.365 -2.538 -7.044 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 14.505 -0.995 -7.738 1.00 10.00 H new ATOM 1029 N LEU A 68 6.825 -0.041 -5.096 1.00 10.00 N ATOM 1030 CA LEU A 68 5.603 0.726 -4.960 1.00 10.00 C ATOM 1031 C LEU A 68 5.956 2.185 -5.218 1.00 10.00 C ATOM 1032 O LEU A 68 7.028 2.632 -4.804 1.00 10.00 O ATOM 1033 CB LEU A 68 5.111 0.606 -3.511 1.00 10.00 C ATOM 1034 CG LEU A 68 3.703 1.182 -3.315 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.659 0.170 -3.782 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.414 1.602 -1.873 1.00 10.00 C ATOM 0 H LEU A 68 7.585 0.360 -4.546 1.00 10.00 H new ATOM 0 HA LEU A 68 4.838 0.371 -5.650 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.114 -0.443 -3.216 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.807 1.125 -2.851 1.00 10.00 H new ATOM 0 HG LEU A 68 3.649 2.088 -3.919 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.661 0.585 -3.640 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.813 -0.051 -4.838 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.756 -0.747 -3.201 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.402 2.000 -1.806 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.508 0.737 -1.216 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.126 2.368 -1.568 1.00 10.00 H new ATOM 1048 N LYS A 69 5.042 2.941 -5.822 1.00 10.00 N ATOM 1049 CA LYS A 69 5.083 4.383 -5.863 1.00 10.00 C ATOM 1050 C LYS A 69 3.660 4.903 -5.819 1.00 10.00 C ATOM 1051 O LYS A 69 2.753 4.208 -6.258 1.00 10.00 O ATOM 1052 CB LYS A 69 5.780 4.840 -7.148 1.00 10.00 C ATOM 1053 CG LYS A 69 7.306 4.877 -7.021 1.00 10.00 C ATOM 1054 CD LYS A 69 7.695 5.719 -5.799 1.00 10.00 C ATOM 1055 CE LYS A 69 9.117 6.279 -5.947 1.00 10.00 C ATOM 1056 NZ LYS A 69 9.442 7.262 -4.893 1.00 10.00 N ATOM 0 H LYS A 69 4.235 2.548 -6.306 1.00 10.00 H new ATOM 0 HA LYS A 69 5.641 4.773 -5.012 1.00 10.00 H new ATOM 0 HB2 LYS A 69 5.505 4.169 -7.962 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.419 5.833 -7.417 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.698 3.865 -6.919 1.00 10.00 H new ATOM 0 HG3 LYS A 69 7.747 5.300 -7.923 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.988 6.540 -5.678 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.632 5.109 -4.898 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.834 5.459 -5.910 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.220 6.750 -6.925 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 10.411 7.613 -5.033 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.775 8.058 -4.943 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.369 6.808 -3.960 1.00 10.00 H new ATOM 1070 N LEU A 70 3.465 6.110 -5.281 1.00 10.00 N ATOM 1071 CA LEU A 70 2.164 6.757 -5.317 1.00 10.00 C ATOM 1072 C LEU A 70 1.792 7.011 -6.775 1.00 10.00 C ATOM 1073 O LEU A 70 2.660 7.148 -7.636 1.00 10.00 O ATOM 1074 CB LEU A 70 2.220 8.097 -4.578 1.00 10.00 C ATOM 1075 CG LEU A 70 0.886 8.656 -4.069 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.377 7.854 -2.873 1.00 10.00 C ATOM 1077 CD2 LEU A 70 1.099 10.107 -3.620 1.00 10.00 C ATOM 0 H LEU A 70 4.194 6.653 -4.818 1.00 10.00 H new ATOM 0 HA LEU A 70 1.425 6.116 -4.836 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.891 7.989 -3.726 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.667 8.835 -5.244 1.00 10.00 H new ATOM 0 HG LEU A 70 0.154 8.595 -4.875 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.570 8.271 -2.532 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.231 6.815 -3.168 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.107 7.903 -2.065 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.157 10.517 -3.255 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.841 10.136 -2.822 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.451 10.701 -4.464 1.00 10.00 H new ATOM 1089 N LYS A 71 0.495 7.131 -7.013 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.111 7.548 -8.247 1.00 10.00 C ATOM 1091 C LYS A 71 -0.792 8.888 -7.985 1.00 10.00 C ATOM 1092 O LYS A 71 -0.546 9.863 -8.690 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.094 6.460 -8.684 1.00 10.00 C ATOM 1094 CG LYS A 71 -1.812 6.951 -9.934 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.357 5.816 -10.814 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.800 5.453 -10.441 1.00 10.00 C ATOM 1097 NZ LYS A 71 -4.300 4.329 -11.255 1.00 10.00 N ATOM 0 H LYS A 71 -0.199 6.924 -6.295 1.00 10.00 H new ATOM 0 HA LYS A 71 0.611 7.681 -9.053 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.566 5.529 -8.889 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.811 6.252 -7.889 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.637 7.599 -9.638 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.125 7.559 -10.523 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.316 6.116 -11.861 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.722 4.937 -10.709 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -3.849 5.189 -9.385 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -4.443 6.321 -10.583 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -5.278 4.108 -10.978 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -4.276 4.591 -12.261 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.700 3.494 -11.100 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.641 8.934 -6.955 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.269 10.166 -6.518 1.00 10.00 C ATOM 1113 C GLY A 72 -3.179 9.886 -5.332 1.00 10.00 C ATOM 1114 O GLY A 72 -2.798 10.116 -4.186 1.00 10.00 O ATOM 0 H GLY A 72 -1.907 8.116 -6.407 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.508 10.895 -6.240 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.844 10.602 -7.335 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.369 9.360 -5.613 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.471 9.245 -4.673 1.00 10.00 C ATOM 1120 C GLU A 73 -6.545 8.381 -5.330 1.00 10.00 C ATOM 1121 O GLU A 73 -6.382 7.975 -6.480 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.999 10.637 -4.282 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.425 11.484 -5.491 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.116 12.766 -5.045 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -8.207 12.639 -4.448 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -6.540 13.843 -5.307 1.00 10.00 O ATOM 0 H GLU A 73 -4.596 8.990 -6.536 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.146 8.774 -3.745 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.850 10.520 -3.610 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.226 11.169 -3.728 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.550 11.729 -6.094 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.097 10.906 -6.125 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.617 8.087 -4.592 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.695 7.239 -5.078 1.00 10.00 C ATOM 1135 C GLN A 74 -9.490 7.898 -6.213 1.00 10.00 C ATOM 1136 O GLN A 74 -9.448 9.113 -6.399 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.621 6.856 -3.915 1.00 10.00 C ATOM 1138 CG GLN A 74 -10.380 8.062 -3.332 1.00 10.00 C ATOM 1139 CD GLN A 74 -11.828 7.715 -3.016 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -12.105 6.703 -2.378 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -12.763 8.551 -3.454 1.00 10.00 N ATOM 0 H GLN A 74 -7.758 8.432 -3.642 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.245 6.337 -5.494 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -10.340 6.112 -4.259 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -9.031 6.388 -3.126 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -9.881 8.402 -2.425 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -10.350 8.889 -4.042 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -12.497 9.383 -3.981 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -13.747 8.361 -3.263 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.288 7.092 -6.915 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.254 7.581 -7.887 1.00 10.00 C ATOM 1152 C ASP A 75 -12.401 8.307 -7.169 1.00 10.00 C ATOM 1153 O ASP A 75 -13.296 7.670 -6.617 1.00 10.00 O ATOM 1154 CB ASP A 75 -11.769 6.399 -8.715 1.00 10.00 C ATOM 1155 CG ASP A 75 -12.771 6.862 -9.764 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -12.489 7.908 -10.386 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -13.785 6.154 -9.937 1.00 10.00 O ATOM 0 H ASP A 75 -10.278 6.076 -6.821 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.781 8.297 -8.559 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -10.932 5.900 -9.202 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.238 5.667 -8.058 1.00 10.00 H new ATOM 1162 N SER A 76 -12.351 9.641 -7.119 1.00 10.00 N ATOM 1163 CA SER A 76 -13.374 10.455 -6.473 1.00 10.00 C ATOM 1164 C SER A 76 -14.560 10.675 -7.418 1.00 10.00 C ATOM 1165 O SER A 76 -14.366 11.001 -8.586 1.00 10.00 O ATOM 1166 CB SER A 76 -12.773 11.785 -6.003 1.00 10.00 C ATOM 1167 OG SER A 76 -13.648 12.410 -5.082 1.00 10.00 O ATOM 0 H SER A 76 -11.593 10.186 -7.529 1.00 10.00 H new ATOM 0 HA SER A 76 -13.746 9.927 -5.595 1.00 10.00 H new ATOM 0 HB2 SER A 76 -11.803 11.611 -5.536 1.00 10.00 H new ATOM 0 HB3 SER A 76 -12.603 12.439 -6.858 1.00 10.00 H new ATOM 0 HG SER A 76 -13.258 13.258 -4.784 1.00 10.00 H new ATOM 1173 N ILE A 77 -15.782 10.515 -6.898 1.00 10.00 N ATOM 1174 CA ILE A 77 -17.024 10.624 -7.650 1.00 10.00 C ATOM 1175 C ILE A 77 -17.630 12.029 -7.451 1.00 10.00 C ATOM 1176 O ILE A 77 -16.888 13.007 -7.390 1.00 10.00 O ATOM 1177 CB ILE A 77 -17.940 9.440 -7.261 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -18.336 9.450 -5.768 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -17.242 8.111 -7.596 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -19.581 8.598 -5.502 1.00 10.00 C ATOM 0 H ILE A 77 -15.932 10.300 -5.912 1.00 10.00 H new ATOM 0 HA ILE A 77 -16.866 10.540 -8.725 1.00 10.00 H new ATOM 0 HB ILE A 77 -18.858 9.547 -7.839 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -17.505 9.076 -5.170 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -18.523 10.475 -5.449 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -17.891 7.280 -7.320 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -17.033 8.069 -8.665 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -16.307 8.041 -7.040 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -19.825 8.632 -4.440 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -20.419 8.988 -6.080 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -19.386 7.567 -5.796 1.00 10.00 H new ATOM 1192 N GLU A 78 -18.959 12.124 -7.312 1.00 10.00 N ATOM 1193 CA GLU A 78 -19.736 13.346 -7.108 1.00 10.00 C ATOM 1194 C GLU A 78 -19.887 14.127 -8.427 1.00 10.00 C ATOM 1195 O GLU A 78 -19.783 13.520 -9.494 1.00 10.00 O ATOM 1196 CB GLU A 78 -19.178 14.161 -5.928 1.00 10.00 C ATOM 1197 CG GLU A 78 -20.256 15.001 -5.223 1.00 10.00 C ATOM 1198 CD GLU A 78 -19.843 16.461 -5.156 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -19.833 17.060 -6.253 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -19.505 16.919 -4.045 1.00 10.00 O ATOM 0 H GLU A 78 -19.554 11.296 -7.341 1.00 10.00 H new ATOM 0 HA GLU A 78 -20.754 13.089 -6.815 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -18.723 13.483 -5.207 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -18.388 14.820 -6.288 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -21.202 14.910 -5.757 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -20.421 14.618 -4.216 1.00 10.00 H new ATOM 1207 N GLY A 79 -20.172 15.436 -8.386 1.00 10.00 N ATOM 1208 CA GLY A 79 -20.371 16.234 -9.591 1.00 10.00 C ATOM 1209 C GLY A 79 -21.277 17.461 -9.419 1.00 10.00 C ATOM 1210 O GLY A 79 -21.172 18.389 -10.218 1.00 10.00 O ATOM 0 H GLY A 79 -20.269 15.964 -7.519 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -19.398 16.568 -9.951 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -20.795 15.595 -10.365 1.00 10.00 H new ATOM 1214 N ARG A 80 -22.207 17.455 -8.458 1.00 10.00 N ATOM 1215 CA ARG A 80 -23.245 18.470 -8.310 1.00 10.00 C ATOM 1216 C ARG A 80 -23.523 18.607 -6.814 1.00 10.00 C ATOM 1217 O ARG A 80 -23.576 19.758 -6.323 1.00 10.00 O ATOM 1218 CB ARG A 80 -24.501 18.005 -9.080 1.00 10.00 C ATOM 1219 CG ARG A 80 -25.683 18.992 -9.168 1.00 10.00 C ATOM 1220 CD ARG A 80 -26.179 19.428 -7.784 1.00 10.00 C ATOM 1221 NE ARG A 80 -27.591 19.826 -7.747 1.00 10.00 N ATOM 1222 CZ ARG A 80 -28.170 20.273 -6.620 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -27.420 20.488 -5.532 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -29.490 20.493 -6.585 1.00 10.00 N ATOM 1225 OXT ARG A 80 -23.774 17.545 -6.204 1.00 10.00 O ATOM 0 H ARG A 80 -22.256 16.725 -7.747 1.00 10.00 H new ATOM 0 HA ARG A 80 -22.943 19.436 -8.714 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -24.199 17.750 -10.096 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -24.862 17.088 -8.615 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -25.378 19.871 -9.736 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -26.503 18.527 -9.716 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -26.026 18.609 -7.081 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -25.569 20.263 -7.439 1.00 10.00 H new ATOM 0 HE ARG A 80 -28.148 19.762 -8.599 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -26.416 20.313 -5.562 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -27.853 20.827 -4.673 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -30.058 20.321 -7.415 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -29.928 20.832 -5.729 1.00 10.00 H new TER 1239 ARG A 80