USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 512 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 47 SER OG : rot 78:sc= -0.432! USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.65) USER MOD Single : A 9 MET CE :methyl -179:sc= -4.61! (180deg=-4.7!) USER MOD Single : A 14 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -124:sc= 0.798 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 0.888 K(o=0.89,f=-4.1!) USER MOD Single : A 27 GLN : amide:sc= -4.66! C(o=-4.7!,f=-13!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.142 USER MOD Single : A 69 SER OG : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.732 -12.345 -11.872 1.00 0.00 N ATOM 2 CA GLY A 1 14.392 -11.150 -11.379 1.00 0.00 C ATOM 3 C GLY A 1 14.670 -11.213 -9.890 1.00 0.00 C ATOM 4 O GLY A 1 13.743 -11.244 -9.080 1.00 0.00 O ATOM 0 H1 GLY A 1 13.564 -12.252 -12.894 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.335 -13.173 -11.694 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.823 -12.467 -11.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.331 -11.010 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.770 -10.281 -11.593 1.00 0.00 H new ATOM 8 N SER A 2 15.948 -11.234 -9.529 1.00 0.00 N ATOM 9 CA SER A 2 16.345 -11.300 -8.127 1.00 0.00 C ATOM 10 C SER A 2 16.587 -9.902 -7.565 1.00 0.00 C ATOM 11 O SER A 2 15.975 -9.506 -6.573 1.00 0.00 O ATOM 12 CB SER A 2 17.608 -12.149 -7.972 1.00 0.00 C ATOM 13 OG SER A 2 17.959 -12.297 -6.607 1.00 0.00 O ATOM 0 H SER A 2 16.727 -11.206 -10.187 1.00 0.00 H new ATOM 0 HA SER A 2 15.533 -11.763 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.447 -13.131 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.431 -11.684 -8.514 1.00 0.00 H new ATOM 0 HG SER A 2 18.768 -12.845 -6.535 1.00 0.00 H new ATOM 19 N SER A 3 17.483 -9.160 -8.207 1.00 0.00 N ATOM 20 CA SER A 3 17.810 -7.807 -7.770 1.00 0.00 C ATOM 21 C SER A 3 16.809 -6.800 -8.328 1.00 0.00 C ATOM 22 O SER A 3 16.195 -7.029 -9.369 1.00 0.00 O ATOM 23 CB SER A 3 19.227 -7.434 -8.210 1.00 0.00 C ATOM 24 OG SER A 3 19.305 -7.305 -9.619 1.00 0.00 O ATOM 0 H SER A 3 17.996 -9.472 -9.032 1.00 0.00 H new ATOM 0 HA SER A 3 17.758 -7.780 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.523 -6.497 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.929 -8.196 -7.872 1.00 0.00 H new ATOM 0 HG SER A 3 20.220 -7.065 -9.875 1.00 0.00 H new ATOM 30 N GLY A 4 16.651 -5.681 -7.627 1.00 0.00 N ATOM 31 CA GLY A 4 15.725 -4.654 -8.067 1.00 0.00 C ATOM 32 C GLY A 4 14.509 -4.547 -7.168 1.00 0.00 C ATOM 33 O GLY A 4 14.481 -3.735 -6.244 1.00 0.00 O ATOM 0 H GLY A 4 17.148 -5.468 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.239 -3.693 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.402 -4.872 -9.085 1.00 0.00 H new ATOM 37 N SER A 5 13.499 -5.368 -7.441 1.00 0.00 N ATOM 38 CA SER A 5 12.272 -5.358 -6.653 1.00 0.00 C ATOM 39 C SER A 5 12.215 -6.564 -5.721 1.00 0.00 C ATOM 40 O SER A 5 12.379 -7.705 -6.153 1.00 0.00 O ATOM 41 CB SER A 5 11.050 -5.352 -7.573 1.00 0.00 C ATOM 42 OG SER A 5 11.085 -4.247 -8.460 1.00 0.00 O ATOM 0 H SER A 5 13.507 -6.048 -8.201 1.00 0.00 H new ATOM 0 HA SER A 5 12.266 -4.452 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.016 -6.280 -8.144 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.140 -5.313 -6.974 1.00 0.00 H new ATOM 0 HG SER A 5 10.294 -4.267 -9.038 1.00 0.00 H new ATOM 48 N SER A 6 11.981 -6.303 -4.439 1.00 0.00 N ATOM 49 CA SER A 6 11.906 -7.366 -3.443 1.00 0.00 C ATOM 50 C SER A 6 10.738 -7.135 -2.489 1.00 0.00 C ATOM 51 O SER A 6 10.778 -6.237 -1.648 1.00 0.00 O ATOM 52 CB SER A 6 13.215 -7.449 -2.655 1.00 0.00 C ATOM 53 OG SER A 6 14.210 -8.139 -3.392 1.00 0.00 O ATOM 0 H SER A 6 11.840 -5.364 -4.065 1.00 0.00 H new ATOM 0 HA SER A 6 11.745 -8.309 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.565 -6.444 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.041 -7.958 -1.707 1.00 0.00 H new ATOM 0 HG SER A 6 15.037 -8.177 -2.868 1.00 0.00 H new ATOM 59 N GLY A 7 9.699 -7.952 -2.626 1.00 0.00 N ATOM 60 CA GLY A 7 8.534 -7.821 -1.770 1.00 0.00 C ATOM 61 C GLY A 7 7.263 -7.563 -2.556 1.00 0.00 C ATOM 62 O GLY A 7 7.038 -8.170 -3.602 1.00 0.00 O ATOM 0 H GLY A 7 9.643 -8.703 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.415 -8.731 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.694 -7.004 -1.066 1.00 0.00 H new ATOM 66 N ASN A 8 6.430 -6.660 -2.049 1.00 0.00 N ATOM 67 CA ASN A 8 5.174 -6.324 -2.710 1.00 0.00 C ATOM 68 C ASN A 8 5.061 -4.818 -2.931 1.00 0.00 C ATOM 69 O ASN A 8 5.015 -4.042 -1.977 1.00 0.00 O ATOM 70 CB ASN A 8 3.988 -6.819 -1.879 1.00 0.00 C ATOM 71 CG ASN A 8 4.276 -6.794 -0.390 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.813 -7.752 0.166 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.918 -5.695 0.263 1.00 0.00 N ATOM 0 H ASN A 8 6.602 -6.148 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 8 5.160 -6.818 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.117 -6.198 -2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.735 -7.836 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.086 -5.621 1.266 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.475 -4.925 -0.239 1.00 0.00 H new ATOM 80 N MET A 9 5.016 -4.414 -4.196 1.00 0.00 N ATOM 81 CA MET A 9 4.907 -3.001 -4.543 1.00 0.00 C ATOM 82 C MET A 9 3.539 -2.694 -5.144 1.00 0.00 C ATOM 83 O MET A 9 3.030 -3.448 -5.973 1.00 0.00 O ATOM 84 CB MET A 9 6.010 -2.609 -5.528 1.00 0.00 C ATOM 85 CG MET A 9 7.351 -2.344 -4.864 1.00 0.00 C ATOM 86 SD MET A 9 7.569 -0.614 -4.405 1.00 0.00 S ATOM 87 CE MET A 9 5.932 -0.217 -3.796 1.00 0.00 C ATOM 0 H MET A 9 5.053 -5.044 -4.997 1.00 0.00 H new ATOM 0 HA MET A 9 5.022 -2.418 -3.630 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.129 -3.405 -6.263 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.700 -1.716 -6.071 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.440 -2.966 -3.973 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.152 -2.640 -5.541 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.901 0.829 -3.490 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.199 -0.385 -4.585 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.698 -0.852 -2.942 1.00 0.00 H new ATOM 97 N PHE A 10 2.949 -1.581 -4.721 1.00 0.00 N ATOM 98 CA PHE A 10 1.639 -1.174 -5.217 1.00 0.00 C ATOM 99 C PHE A 10 1.477 0.341 -5.147 1.00 0.00 C ATOM 100 O PHE A 10 1.552 0.936 -4.072 1.00 0.00 O ATOM 101 CB PHE A 10 0.531 -1.855 -4.411 1.00 0.00 C ATOM 102 CG PHE A 10 0.381 -3.318 -4.714 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.113 -4.263 -4.013 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.493 -3.749 -5.699 1.00 0.00 C ATOM 105 CE1 PHE A 10 0.977 -5.610 -4.291 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.633 -5.094 -5.981 1.00 0.00 C ATOM 107 CZ PHE A 10 0.102 -6.026 -5.275 1.00 0.00 C ATOM 0 H PHE A 10 3.357 -0.945 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 10 1.562 -1.482 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.738 -1.732 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.415 -1.352 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.797 -3.943 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.072 -3.025 -6.253 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.555 -6.337 -3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.316 -5.416 -6.753 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.007 -7.078 -5.492 1.00 0.00 H new ATOM 117 N VAL A 11 1.256 0.961 -6.302 1.00 0.00 N ATOM 118 CA VAL A 11 1.083 2.407 -6.373 1.00 0.00 C ATOM 119 C VAL A 11 -0.388 2.791 -6.254 1.00 0.00 C ATOM 120 O VAL A 11 -1.274 1.951 -6.407 1.00 0.00 O ATOM 121 CB VAL A 11 1.646 2.976 -7.689 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.668 4.496 -7.648 1.00 0.00 C ATOM 123 CG2 VAL A 11 3.037 2.421 -7.956 1.00 0.00 C ATOM 0 H VAL A 11 1.193 0.484 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 11 1.636 2.833 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 11 0.994 2.669 -8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.069 4.880 -8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.654 4.871 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.297 4.829 -6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.420 2.833 -8.890 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.702 2.697 -7.138 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.987 1.335 -8.032 1.00 0.00 H new ATOM 133 N ALA A 12 -0.640 4.067 -5.981 1.00 0.00 N ATOM 134 CA ALA A 12 -2.004 4.564 -5.844 1.00 0.00 C ATOM 135 C ALA A 12 -2.476 5.233 -7.131 1.00 0.00 C ATOM 136 O ALA A 12 -3.531 4.894 -7.668 1.00 0.00 O ATOM 137 CB ALA A 12 -2.097 5.535 -4.677 1.00 0.00 C ATOM 0 H ALA A 12 0.082 4.775 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.657 3.713 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.121 5.898 -4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.810 5.026 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.427 6.377 -4.850 1.00 0.00 H new ATOM 143 N LEU A 13 -1.689 6.186 -7.619 1.00 0.00 N ATOM 144 CA LEU A 13 -2.027 6.904 -8.843 1.00 0.00 C ATOM 145 C LEU A 13 -3.336 7.670 -8.681 1.00 0.00 C ATOM 146 O LEU A 13 -4.037 7.936 -9.658 1.00 0.00 O ATOM 147 CB LEU A 13 -2.136 5.928 -10.017 1.00 0.00 C ATOM 148 CG LEU A 13 -1.052 4.853 -10.098 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.468 3.616 -9.316 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.763 4.496 -11.549 1.00 0.00 C ATOM 0 H LEU A 13 -0.813 6.479 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.231 7.620 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.106 5.434 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.120 6.502 -10.943 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.139 5.250 -9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.684 2.861 -9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.625 3.882 -8.271 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.393 3.217 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.011 3.729 -11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.671 4.119 -12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.421 5.384 -12.081 1.00 0.00 H new ATOM 162 N HIS A 14 -3.658 8.025 -7.441 1.00 0.00 N ATOM 163 CA HIS A 14 -4.882 8.765 -7.151 1.00 0.00 C ATOM 164 C HIS A 14 -4.815 9.403 -5.767 1.00 0.00 C ATOM 165 O HIS A 14 -4.030 8.985 -4.916 1.00 0.00 O ATOM 166 CB HIS A 14 -6.095 7.839 -7.241 1.00 0.00 C ATOM 167 CG HIS A 14 -6.598 7.645 -8.639 1.00 0.00 C ATOM 168 ND1 HIS A 14 -7.070 8.679 -9.419 1.00 0.00 N ATOM 169 CD2 HIS A 14 -6.699 6.527 -9.396 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.441 8.205 -10.596 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.226 6.902 -10.607 1.00 0.00 N ATOM 0 H HIS A 14 -3.089 7.813 -6.621 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.984 9.558 -7.892 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.833 6.868 -6.820 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.899 8.246 -6.628 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.417 5.527 -9.102 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.850 8.785 -11.410 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.420 6.276 -11.388 1.00 0.00 H new ATOM 180 N THR A 15 -5.645 10.418 -5.549 1.00 0.00 N ATOM 181 CA THR A 15 -5.680 11.116 -4.269 1.00 0.00 C ATOM 182 C THR A 15 -6.937 10.761 -3.483 1.00 0.00 C ATOM 183 O THR A 15 -8.017 11.287 -3.751 1.00 0.00 O ATOM 184 CB THR A 15 -5.621 12.643 -4.460 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.597 12.980 -5.403 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.350 13.344 -3.137 1.00 0.00 C ATOM 0 H THR A 15 -6.302 10.775 -6.242 1.00 0.00 H new ATOM 0 HA THR A 15 -4.802 10.793 -3.709 1.00 0.00 H new ATOM 0 HB THR A 15 -6.587 12.977 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.567 13.953 -5.520 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.313 14.422 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.147 13.109 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.396 13.004 -2.734 1.00 0.00 H new ATOM 194 N TYR A 16 -6.789 9.867 -2.512 1.00 0.00 N ATOM 195 CA TYR A 16 -7.914 9.441 -1.688 1.00 0.00 C ATOM 196 C TYR A 16 -7.813 10.027 -0.284 1.00 0.00 C ATOM 197 O TYR A 16 -6.903 9.695 0.476 1.00 0.00 O ATOM 198 CB TYR A 16 -7.968 7.914 -1.613 1.00 0.00 C ATOM 199 CG TYR A 16 -9.135 7.389 -0.808 1.00 0.00 C ATOM 200 CD1 TYR A 16 -10.370 7.164 -1.404 1.00 0.00 C ATOM 201 CD2 TYR A 16 -9.004 7.118 0.548 1.00 0.00 C ATOM 202 CE1 TYR A 16 -11.440 6.684 -0.673 1.00 0.00 C ATOM 203 CE2 TYR A 16 -10.067 6.637 1.287 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.283 6.422 0.673 1.00 0.00 C ATOM 205 OH TYR A 16 -12.346 5.945 1.405 1.00 0.00 O ATOM 0 H TYR A 16 -5.901 9.423 -2.276 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.830 9.808 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.024 7.511 -2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.040 7.547 -1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.496 7.368 -2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.054 7.286 1.033 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.393 6.515 -1.152 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.947 6.430 2.340 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.511 6.539 2.167 1.00 0.00 H new ATOM 215 N SER A 17 -8.755 10.901 0.055 1.00 0.00 N ATOM 216 CA SER A 17 -8.772 11.538 1.367 1.00 0.00 C ATOM 217 C SER A 17 -9.468 10.648 2.393 1.00 0.00 C ATOM 218 O SER A 17 -10.695 10.625 2.480 1.00 0.00 O ATOM 219 CB SER A 17 -9.476 12.894 1.290 1.00 0.00 C ATOM 220 OG SER A 17 -8.959 13.678 0.229 1.00 0.00 O ATOM 0 H SER A 17 -9.517 11.185 -0.561 1.00 0.00 H new ATOM 0 HA SER A 17 -7.740 11.690 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.546 12.744 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.352 13.426 2.233 1.00 0.00 H new ATOM 0 HG SER A 17 -9.427 14.539 0.200 1.00 0.00 H new ATOM 226 N ALA A 18 -8.673 9.917 3.168 1.00 0.00 N ATOM 227 CA ALA A 18 -9.211 9.027 4.189 1.00 0.00 C ATOM 228 C ALA A 18 -10.408 9.658 4.892 1.00 0.00 C ATOM 229 O ALA A 18 -10.352 10.811 5.322 1.00 0.00 O ATOM 230 CB ALA A 18 -8.131 8.671 5.200 1.00 0.00 C ATOM 0 H ALA A 18 -7.655 9.924 3.108 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.550 8.115 3.699 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.546 8.006 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.307 8.172 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.765 9.580 5.677 1.00 0.00 H new ATOM 236 N HIS A 19 -11.491 8.896 5.004 1.00 0.00 N ATOM 237 CA HIS A 19 -12.703 9.381 5.655 1.00 0.00 C ATOM 238 C HIS A 19 -12.852 8.776 7.048 1.00 0.00 C ATOM 239 O HIS A 19 -13.417 9.397 7.948 1.00 0.00 O ATOM 240 CB HIS A 19 -13.931 9.048 4.808 1.00 0.00 C ATOM 241 CG HIS A 19 -14.215 10.059 3.740 1.00 0.00 C ATOM 242 ND1 HIS A 19 -13.296 10.414 2.776 1.00 0.00 N ATOM 243 CD2 HIS A 19 -15.324 10.792 3.488 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.827 11.322 1.977 1.00 0.00 C ATOM 245 NE2 HIS A 19 -15.058 11.569 2.388 1.00 0.00 N ATOM 0 H HIS A 19 -11.554 7.941 4.653 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.623 10.463 5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.788 8.072 4.344 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.801 8.967 5.460 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -12.353 10.035 2.693 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -16.247 10.770 4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.338 11.784 1.132 1.00 0.00 H new ATOM 254 N ARG A 20 -12.342 7.560 7.217 1.00 0.00 N ATOM 255 CA ARG A 20 -12.420 6.870 8.499 1.00 0.00 C ATOM 256 C ARG A 20 -11.028 6.655 9.086 1.00 0.00 C ATOM 257 O ARG A 20 -10.016 6.723 8.388 1.00 0.00 O ATOM 258 CB ARG A 20 -13.130 5.525 8.336 1.00 0.00 C ATOM 259 CG ARG A 20 -14.635 5.603 8.533 1.00 0.00 C ATOM 260 CD ARG A 20 -15.297 6.439 7.449 1.00 0.00 C ATOM 261 NE ARG A 20 -15.379 7.849 7.819 1.00 0.00 N ATOM 262 CZ ARG A 20 -16.276 8.690 7.317 1.00 0.00 C ATOM 263 NH1 ARG A 20 -17.163 8.264 6.428 1.00 0.00 N ATOM 264 NH2 ARG A 20 -16.287 9.959 7.703 1.00 0.00 N ATOM 0 H ARG A 20 -11.871 7.033 6.482 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.992 7.494 9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.922 5.132 7.341 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.715 4.815 9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.056 4.598 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.853 6.034 9.510 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.734 6.340 6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.299 6.056 7.257 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.710 8.208 8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -17.157 7.289 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.851 8.911 6.044 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.606 10.290 8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.977 10.604 7.317 1.00 0.00 H new ATOM 278 N PRO A 21 -10.974 6.390 10.399 1.00 0.00 N ATOM 279 CA PRO A 21 -9.712 6.160 11.110 1.00 0.00 C ATOM 280 C PRO A 21 -9.059 4.839 10.717 1.00 0.00 C ATOM 281 O PRO A 21 -8.019 4.466 11.259 1.00 0.00 O ATOM 282 CB PRO A 21 -10.133 6.131 12.581 1.00 0.00 C ATOM 283 CG PRO A 21 -11.565 5.719 12.557 1.00 0.00 C ATOM 284 CD PRO A 21 -12.140 6.294 11.293 1.00 0.00 C ATOM 0 HA PRO A 21 -8.970 6.924 10.880 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.528 5.427 13.152 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.010 7.108 13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.659 4.633 12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.094 6.095 13.433 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.914 5.651 10.875 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.595 7.269 11.466 1.00 0.00 H new ATOM 292 N GLU A 22 -9.675 4.137 9.771 1.00 0.00 N ATOM 293 CA GLU A 22 -9.152 2.857 9.307 1.00 0.00 C ATOM 294 C GLU A 22 -8.690 2.953 7.856 1.00 0.00 C ATOM 295 O GLU A 22 -7.841 2.180 7.412 1.00 0.00 O ATOM 296 CB GLU A 22 -10.216 1.766 9.444 1.00 0.00 C ATOM 297 CG GLU A 22 -11.408 1.958 8.521 1.00 0.00 C ATOM 298 CD GLU A 22 -12.587 1.084 8.901 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.885 0.983 10.109 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.212 0.501 7.990 1.00 0.00 O ATOM 0 H GLU A 22 -10.536 4.433 9.311 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.294 2.597 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.760 0.798 9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.567 1.740 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.714 3.004 8.542 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.110 1.734 7.497 1.00 0.00 H new ATOM 307 N GLU A 23 -9.255 3.907 7.122 1.00 0.00 N ATOM 308 CA GLU A 23 -8.902 4.102 5.721 1.00 0.00 C ATOM 309 C GLU A 23 -7.490 4.666 5.589 1.00 0.00 C ATOM 310 O GLU A 23 -6.954 5.253 6.530 1.00 0.00 O ATOM 311 CB GLU A 23 -9.903 5.041 5.046 1.00 0.00 C ATOM 312 CG GLU A 23 -11.217 4.370 4.680 1.00 0.00 C ATOM 313 CD GLU A 23 -12.291 5.365 4.286 1.00 0.00 C ATOM 314 OE1 GLU A 23 -11.937 6.456 3.792 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.485 5.052 4.472 1.00 0.00 O ATOM 0 H GLU A 23 -9.958 4.556 7.474 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.935 3.131 5.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.106 5.880 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.451 5.452 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.049 3.677 3.856 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.567 3.780 5.527 1.00 0.00 H new ATOM 322 N LEU A 24 -6.894 4.484 4.416 1.00 0.00 N ATOM 323 CA LEU A 24 -5.544 4.974 4.160 1.00 0.00 C ATOM 324 C LEU A 24 -5.555 6.073 3.102 1.00 0.00 C ATOM 325 O LEU A 24 -6.045 5.873 1.991 1.00 0.00 O ATOM 326 CB LEU A 24 -4.640 3.825 3.709 1.00 0.00 C ATOM 327 CG LEU A 24 -3.161 3.952 4.074 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.391 2.723 3.616 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.567 5.213 3.463 1.00 0.00 C ATOM 0 H LEU A 24 -7.324 4.001 3.627 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.154 5.392 5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.021 2.899 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.720 3.730 2.626 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.079 4.024 5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.340 2.831 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.800 1.836 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.481 2.620 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.514 5.287 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.661 5.171 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.100 6.086 3.840 1.00 0.00 H new ATOM 341 N ASP A 25 -5.010 7.232 3.455 1.00 0.00 N ATOM 342 CA ASP A 25 -4.954 8.362 2.535 1.00 0.00 C ATOM 343 C ASP A 25 -3.976 8.088 1.397 1.00 0.00 C ATOM 344 O ASP A 25 -2.764 8.025 1.608 1.00 0.00 O ATOM 345 CB ASP A 25 -4.546 9.634 3.281 1.00 0.00 C ATOM 346 CG ASP A 25 -3.272 9.451 4.083 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.196 8.479 4.863 1.00 0.00 O ATOM 348 OD2 ASP A 25 -2.351 10.280 3.929 1.00 0.00 O ATOM 0 H ASP A 25 -4.601 7.414 4.371 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.948 8.503 2.109 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.408 10.444 2.564 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.353 9.934 3.949 1.00 0.00 H new ATOM 353 N LEU A 26 -4.510 7.925 0.192 1.00 0.00 N ATOM 354 CA LEU A 26 -3.684 7.657 -0.981 1.00 0.00 C ATOM 355 C LEU A 26 -3.199 8.957 -1.614 1.00 0.00 C ATOM 356 O LEU A 26 -3.870 9.986 -1.532 1.00 0.00 O ATOM 357 CB LEU A 26 -4.470 6.838 -2.006 1.00 0.00 C ATOM 358 CG LEU A 26 -5.190 5.601 -1.468 1.00 0.00 C ATOM 359 CD1 LEU A 26 -5.988 4.925 -2.572 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.192 4.628 -0.856 1.00 0.00 C ATOM 0 H LEU A 26 -5.511 7.974 0.001 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.814 7.085 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.209 7.490 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.784 6.521 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.884 5.918 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.493 4.047 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.728 5.622 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.315 4.621 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.721 3.753 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.474 4.318 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.665 5.115 -0.036 1.00 0.00 H new ATOM 372 N GLN A 27 -2.032 8.901 -2.248 1.00 0.00 N ATOM 373 CA GLN A 27 -1.459 10.075 -2.897 1.00 0.00 C ATOM 374 C GLN A 27 -1.001 9.744 -4.314 1.00 0.00 C ATOM 375 O GLN A 27 -0.130 8.897 -4.514 1.00 0.00 O ATOM 376 CB GLN A 27 -0.283 10.612 -2.080 1.00 0.00 C ATOM 377 CG GLN A 27 -0.662 11.026 -0.668 1.00 0.00 C ATOM 378 CD GLN A 27 0.207 12.149 -0.136 1.00 0.00 C ATOM 379 OE1 GLN A 27 1.119 11.920 0.659 1.00 0.00 O ATOM 380 NE2 GLN A 27 -0.071 13.372 -0.572 1.00 0.00 N ATOM 0 H GLN A 27 -1.465 8.057 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.232 10.841 -2.954 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.493 9.848 -2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.147 11.469 -2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.705 11.341 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.580 10.164 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.836 13.517 -1.231 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.480 14.167 -0.248 1.00 0.00 H new ATOM 389 N LYS A 28 -1.593 10.416 -5.294 1.00 0.00 N ATOM 390 CA LYS A 28 -1.246 10.195 -6.693 1.00 0.00 C ATOM 391 C LYS A 28 0.267 10.176 -6.881 1.00 0.00 C ATOM 392 O LYS A 28 0.925 11.212 -6.808 1.00 0.00 O ATOM 393 CB LYS A 28 -1.866 11.284 -7.572 1.00 0.00 C ATOM 394 CG LYS A 28 -2.110 10.844 -9.005 1.00 0.00 C ATOM 395 CD LYS A 28 -0.858 10.991 -9.854 1.00 0.00 C ATOM 396 CE LYS A 28 -1.193 11.034 -11.337 1.00 0.00 C ATOM 397 NZ LYS A 28 -1.326 9.669 -11.916 1.00 0.00 N ATOM 0 H LYS A 28 -2.317 11.119 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.644 9.225 -6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.812 11.600 -7.132 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.210 12.154 -7.575 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.439 9.805 -9.017 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.915 11.438 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.331 11.903 -9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.183 10.158 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.123 11.583 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.414 11.580 -11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.555 9.742 -12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.430 9.154 -11.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.086 9.156 -11.425 1.00 0.00 H new ATOM 411 N GLY A 29 0.813 8.988 -7.126 1.00 0.00 N ATOM 412 CA GLY A 29 2.245 8.857 -7.323 1.00 0.00 C ATOM 413 C GLY A 29 2.976 8.501 -6.043 1.00 0.00 C ATOM 414 O GLY A 29 4.057 9.022 -5.774 1.00 0.00 O ATOM 0 H GLY A 29 0.289 8.115 -7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.437 8.090 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.642 9.793 -7.716 1.00 0.00 H new ATOM 418 N GLU A 30 2.382 7.612 -5.252 1.00 0.00 N ATOM 419 CA GLU A 30 2.984 7.190 -3.993 1.00 0.00 C ATOM 420 C GLU A 30 3.135 5.673 -3.943 1.00 0.00 C ATOM 421 O GLU A 30 2.267 4.936 -4.410 1.00 0.00 O ATOM 422 CB GLU A 30 2.136 7.668 -2.812 1.00 0.00 C ATOM 423 CG GLU A 30 0.904 6.815 -2.562 1.00 0.00 C ATOM 424 CD GLU A 30 0.290 7.061 -1.198 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.542 8.139 -0.621 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.441 6.175 -0.707 1.00 0.00 O ATOM 0 H GLU A 30 1.486 7.171 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 30 3.975 7.639 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.752 7.674 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.825 8.697 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.162 7.021 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.172 5.762 -2.651 1.00 0.00 H new ATOM 433 N GLY A 31 4.245 5.212 -3.374 1.00 0.00 N ATOM 434 CA GLY A 31 4.491 3.786 -3.275 1.00 0.00 C ATOM 435 C GLY A 31 3.888 3.179 -2.023 1.00 0.00 C ATOM 436 O GLY A 31 4.282 3.522 -0.908 1.00 0.00 O ATOM 0 H GLY A 31 4.978 5.801 -2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.078 3.287 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.566 3.604 -3.282 1.00 0.00 H new ATOM 440 N ILE A 32 2.929 2.278 -2.207 1.00 0.00 N ATOM 441 CA ILE A 32 2.270 1.624 -1.084 1.00 0.00 C ATOM 442 C ILE A 32 2.699 0.165 -0.969 1.00 0.00 C ATOM 443 O ILE A 32 2.954 -0.498 -1.974 1.00 0.00 O ATOM 444 CB ILE A 32 0.737 1.688 -1.215 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.268 3.144 -1.269 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.075 0.956 -0.057 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.068 3.323 -1.955 1.00 0.00 C ATOM 0 H ILE A 32 2.591 1.984 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 32 2.572 2.161 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 32 0.446 1.197 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.201 3.534 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.018 3.740 -1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.008 1.010 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.388 -0.088 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.370 1.421 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.338 4.379 -1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.001 2.964 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.830 2.755 -1.421 1.00 0.00 H new ATOM 459 N ARG A 33 2.773 -0.329 0.263 1.00 0.00 N ATOM 460 CA ARG A 33 3.170 -1.710 0.509 1.00 0.00 C ATOM 461 C ARG A 33 2.014 -2.510 1.103 1.00 0.00 C ATOM 462 O ARG A 33 1.713 -2.397 2.291 1.00 0.00 O ATOM 463 CB ARG A 33 4.374 -1.757 1.452 1.00 0.00 C ATOM 464 CG ARG A 33 5.211 -3.017 1.309 1.00 0.00 C ATOM 465 CD ARG A 33 6.467 -2.951 2.163 1.00 0.00 C ATOM 466 NE ARG A 33 7.428 -3.992 1.805 1.00 0.00 N ATOM 467 CZ ARG A 33 8.713 -3.952 2.137 1.00 0.00 C ATOM 468 NH1 ARG A 33 9.190 -2.927 2.831 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.525 -4.937 1.774 1.00 0.00 N ATOM 0 H ARG A 33 2.563 0.206 1.106 1.00 0.00 H new ATOM 0 HA ARG A 33 3.447 -2.158 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.005 -0.888 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.022 -1.680 2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.618 -3.884 1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.487 -3.155 0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.933 -1.972 2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.197 -3.053 3.214 1.00 0.00 H new ATOM 0 HE ARG A 33 7.093 -4.794 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.569 -2.167 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.177 -2.898 3.085 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.162 -5.726 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.512 -4.905 2.030 1.00 0.00 H new ATOM 483 N VAL A 34 1.370 -3.319 0.267 1.00 0.00 N ATOM 484 CA VAL A 34 0.248 -4.138 0.709 1.00 0.00 C ATOM 485 C VAL A 34 0.706 -5.220 1.681 1.00 0.00 C ATOM 486 O VAL A 34 1.508 -6.086 1.329 1.00 0.00 O ATOM 487 CB VAL A 34 -0.466 -4.803 -0.483 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.436 -5.869 0.002 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.185 -3.758 -1.323 1.00 0.00 C ATOM 0 H VAL A 34 1.606 -3.424 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.450 -3.471 1.215 1.00 0.00 H new ATOM 0 HB VAL A 34 0.284 -5.287 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.931 -6.327 -0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.890 -6.632 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.183 -5.413 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.684 -4.245 -2.161 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.925 -3.244 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.462 -3.035 -1.702 1.00 0.00 H new ATOM 499 N LEU A 35 0.192 -5.165 2.904 1.00 0.00 N ATOM 500 CA LEU A 35 0.548 -6.141 3.928 1.00 0.00 C ATOM 501 C LEU A 35 -0.517 -7.228 4.038 1.00 0.00 C ATOM 502 O LEU A 35 -0.266 -8.391 3.724 1.00 0.00 O ATOM 503 CB LEU A 35 0.727 -5.449 5.280 1.00 0.00 C ATOM 504 CG LEU A 35 1.213 -4.000 5.233 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.664 -3.214 6.414 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.733 -3.948 5.216 1.00 0.00 C ATOM 0 H LEU A 35 -0.473 -4.455 3.211 1.00 0.00 H new ATOM 0 HA LEU A 35 1.489 -6.608 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.226 -5.474 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.435 -6.030 5.872 1.00 0.00 H new ATOM 0 HG LEU A 35 0.843 -3.543 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.021 -2.185 6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.425 -3.222 6.382 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.003 -3.670 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.061 -2.909 5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.123 -4.423 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.105 -4.475 4.337 1.00 0.00 H new ATOM 518 N GLY A 36 -1.708 -6.840 4.484 1.00 0.00 N ATOM 519 CA GLY A 36 -2.794 -7.793 4.625 1.00 0.00 C ATOM 520 C GLY A 36 -3.837 -7.649 3.534 1.00 0.00 C ATOM 521 O GLY A 36 -3.776 -6.723 2.725 1.00 0.00 O ATOM 0 H GLY A 36 -1.940 -5.883 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.390 -8.805 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.268 -7.658 5.597 1.00 0.00 H new ATOM 525 N LYS A 37 -4.796 -8.568 3.510 1.00 0.00 N ATOM 526 CA LYS A 37 -5.857 -8.541 2.510 1.00 0.00 C ATOM 527 C LYS A 37 -7.228 -8.470 3.175 1.00 0.00 C ATOM 528 O LYS A 37 -7.704 -9.452 3.745 1.00 0.00 O ATOM 529 CB LYS A 37 -5.776 -9.780 1.616 1.00 0.00 C ATOM 530 CG LYS A 37 -6.833 -9.815 0.527 1.00 0.00 C ATOM 531 CD LYS A 37 -6.374 -10.631 -0.670 1.00 0.00 C ATOM 532 CE LYS A 37 -7.426 -10.649 -1.769 1.00 0.00 C ATOM 533 NZ LYS A 37 -6.827 -10.912 -3.106 1.00 0.00 N ATOM 0 H LYS A 37 -4.860 -9.341 4.172 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.722 -7.650 1.897 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.789 -9.821 1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.875 -10.671 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.754 -10.240 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.063 -8.798 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.445 -10.215 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.158 -11.652 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.170 -11.415 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.949 -9.693 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.576 -10.916 -3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.136 -10.168 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.350 -11.836 -3.097 1.00 0.00 H new ATOM 547 N TYR A 38 -7.859 -7.303 3.096 1.00 0.00 N ATOM 548 CA TYR A 38 -9.175 -7.104 3.690 1.00 0.00 C ATOM 549 C TYR A 38 -10.207 -8.028 3.051 1.00 0.00 C ATOM 550 O TYR A 38 -10.758 -8.910 3.709 1.00 0.00 O ATOM 551 CB TYR A 38 -9.613 -5.647 3.535 1.00 0.00 C ATOM 552 CG TYR A 38 -10.583 -5.189 4.601 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.187 -5.084 5.929 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.894 -4.862 4.281 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.069 -4.667 6.906 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.783 -4.442 5.252 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.366 -4.346 6.563 1.00 0.00 C ATOM 558 OH TYR A 38 -13.249 -3.930 7.533 1.00 0.00 O ATOM 0 H TYR A 38 -7.480 -6.481 2.626 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.106 -7.345 4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.731 -5.007 3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.074 -5.517 2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.172 -5.333 6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.225 -4.937 3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.745 -4.593 7.934 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.799 -4.190 4.986 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.120 -3.743 7.124 1.00 0.00 H new ATOM 568 N GLN A 39 -10.462 -7.819 1.763 1.00 0.00 N ATOM 569 CA GLN A 39 -11.428 -8.632 1.034 1.00 0.00 C ATOM 570 C GLN A 39 -11.438 -8.268 -0.447 1.00 0.00 C ATOM 571 O GLN A 39 -10.695 -7.389 -0.885 1.00 0.00 O ATOM 572 CB GLN A 39 -12.827 -8.453 1.625 1.00 0.00 C ATOM 573 CG GLN A 39 -13.453 -7.104 1.310 1.00 0.00 C ATOM 574 CD GLN A 39 -14.904 -7.019 1.740 1.00 0.00 C ATOM 575 OE1 GLN A 39 -15.814 -7.215 0.935 1.00 0.00 O ATOM 576 NE2 GLN A 39 -15.127 -6.726 3.016 1.00 0.00 N ATOM 0 H GLN A 39 -10.013 -7.094 1.203 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.132 -9.677 1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.476 -9.243 1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.774 -8.576 2.707 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.884 -6.319 1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.384 -6.917 0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.342 -6.571 3.648 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.083 -6.656 3.364 1.00 0.00 H new ATOM 585 N ASP A 40 -12.283 -8.949 -1.212 1.00 0.00 N ATOM 586 CA ASP A 40 -12.391 -8.696 -2.645 1.00 0.00 C ATOM 587 C ASP A 40 -12.716 -7.231 -2.915 1.00 0.00 C ATOM 588 O ASP A 40 -13.858 -6.800 -2.768 1.00 0.00 O ATOM 589 CB ASP A 40 -13.466 -9.592 -3.263 1.00 0.00 C ATOM 590 CG ASP A 40 -13.000 -11.025 -3.429 1.00 0.00 C ATOM 591 OD1 ASP A 40 -11.905 -11.232 -3.994 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.729 -11.940 -2.993 1.00 0.00 O ATOM 0 H ASP A 40 -12.903 -9.680 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.429 -8.927 -3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.356 -9.573 -2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.754 -9.192 -4.235 1.00 0.00 H new ATOM 597 N GLY A 41 -11.701 -6.468 -3.311 1.00 0.00 N ATOM 598 CA GLY A 41 -11.898 -5.059 -3.595 1.00 0.00 C ATOM 599 C GLY A 41 -11.185 -4.162 -2.602 1.00 0.00 C ATOM 600 O GLY A 41 -10.886 -3.007 -2.904 1.00 0.00 O ATOM 0 H GLY A 41 -10.746 -6.801 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.539 -4.841 -4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.965 -4.835 -3.582 1.00 0.00 H new ATOM 604 N TRP A 42 -10.914 -4.694 -1.416 1.00 0.00 N ATOM 605 CA TRP A 42 -10.233 -3.933 -0.375 1.00 0.00 C ATOM 606 C TRP A 42 -8.986 -4.665 0.107 1.00 0.00 C ATOM 607 O TRP A 42 -9.007 -5.879 0.310 1.00 0.00 O ATOM 608 CB TRP A 42 -11.178 -3.680 0.801 1.00 0.00 C ATOM 609 CG TRP A 42 -12.309 -2.755 0.466 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.581 -3.108 0.116 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.269 -1.324 0.448 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.334 -1.983 -0.118 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.552 -0.876 0.080 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.274 -0.377 0.710 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.864 0.477 -0.034 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.585 0.964 0.596 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.871 1.381 0.227 1.00 0.00 C ATOM 0 H TRP A 42 -11.155 -5.649 -1.151 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.928 -2.976 -0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.585 -4.632 1.142 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.609 -3.261 1.631 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.942 -4.123 0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.316 -1.974 -0.394 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.280 -0.688 0.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.854 0.801 -0.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.824 1.704 0.795 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.082 2.437 0.147 1.00 0.00 H new ATOM 628 N LEU A 43 -7.901 -3.920 0.289 1.00 0.00 N ATOM 629 CA LEU A 43 -6.644 -4.499 0.748 1.00 0.00 C ATOM 630 C LEU A 43 -5.993 -3.617 1.809 1.00 0.00 C ATOM 631 O LEU A 43 -6.283 -2.424 1.903 1.00 0.00 O ATOM 632 CB LEU A 43 -5.687 -4.689 -0.430 1.00 0.00 C ATOM 633 CG LEU A 43 -6.305 -5.242 -1.714 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.374 -5.016 -2.895 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.622 -6.722 -1.559 1.00 0.00 C ATOM 0 H LEU A 43 -7.867 -2.914 0.126 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.861 -5.470 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.227 -3.727 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.887 -5.360 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.237 -4.709 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.831 -5.416 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.197 -3.948 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.426 -5.522 -2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.061 -7.099 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.705 -7.270 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.327 -6.859 -0.739 1.00 0.00 H new ATOM 647 N LYS A 44 -5.111 -4.211 2.605 1.00 0.00 N ATOM 648 CA LYS A 44 -4.415 -3.480 3.658 1.00 0.00 C ATOM 649 C LYS A 44 -2.948 -3.272 3.298 1.00 0.00 C ATOM 650 O LYS A 44 -2.224 -4.229 3.026 1.00 0.00 O ATOM 651 CB LYS A 44 -4.524 -4.231 4.987 1.00 0.00 C ATOM 652 CG LYS A 44 -3.661 -3.644 6.090 1.00 0.00 C ATOM 653 CD LYS A 44 -3.979 -4.268 7.438 1.00 0.00 C ATOM 654 CE LYS A 44 -3.447 -3.421 8.584 1.00 0.00 C ATOM 655 NZ LYS A 44 -3.381 -4.189 9.858 1.00 0.00 N ATOM 0 H LYS A 44 -4.861 -5.198 2.541 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.887 -2.503 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.565 -4.229 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.241 -5.272 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.609 -3.803 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.817 -2.566 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.058 -4.385 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.544 -5.266 7.490 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.453 -3.051 8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.087 -2.549 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.014 -3.577 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.333 -4.521 10.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.750 -5.007 9.738 1.00 0.00 H new ATOM 669 N GLY A 45 -2.514 -2.015 3.300 1.00 0.00 N ATOM 670 CA GLY A 45 -1.134 -1.706 2.973 1.00 0.00 C ATOM 671 C GLY A 45 -0.634 -0.465 3.685 1.00 0.00 C ATOM 672 O GLY A 45 -1.426 0.328 4.197 1.00 0.00 O ATOM 0 H GLY A 45 -3.093 -1.205 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.502 -2.553 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.042 -1.565 1.896 1.00 0.00 H new ATOM 676 N LEU A 46 0.683 -0.295 3.721 1.00 0.00 N ATOM 677 CA LEU A 46 1.288 0.858 4.377 1.00 0.00 C ATOM 678 C LEU A 46 1.919 1.798 3.355 1.00 0.00 C ATOM 679 O LEU A 46 2.880 1.437 2.675 1.00 0.00 O ATOM 680 CB LEU A 46 2.344 0.400 5.385 1.00 0.00 C ATOM 681 CG LEU A 46 3.288 1.483 5.907 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.360 1.801 4.876 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.509 2.738 6.273 1.00 0.00 C ATOM 0 H LEU A 46 1.352 -0.941 3.303 1.00 0.00 H new ATOM 0 HA LEU A 46 0.502 1.399 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.833 -0.050 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.943 -0.384 4.922 1.00 0.00 H new ATOM 0 HG LEU A 46 3.778 1.108 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.022 2.574 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.938 0.902 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.889 2.155 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.197 3.498 6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.991 3.115 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.780 2.501 7.048 1.00 0.00 H new ATOM 695 N SER A 47 1.372 3.005 3.252 1.00 0.00 N ATOM 696 CA SER A 47 1.880 3.997 2.312 1.00 0.00 C ATOM 697 C SER A 47 3.345 4.315 2.596 1.00 0.00 C ATOM 698 O SER A 47 3.675 4.913 3.621 1.00 0.00 O ATOM 699 CB SER A 47 1.045 5.276 2.386 1.00 0.00 C ATOM 700 OG SER A 47 1.211 6.063 1.219 1.00 0.00 O ATOM 0 H SER A 47 0.577 3.319 3.808 1.00 0.00 H new ATOM 0 HA SER A 47 1.805 3.581 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.007 5.020 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.337 5.854 3.263 1.00 0.00 H new ATOM 0 HG SER A 47 0.676 5.685 0.490 1.00 0.00 H new ATOM 706 N LEU A 48 4.220 3.912 1.681 1.00 0.00 N ATOM 707 CA LEU A 48 5.650 4.153 1.831 1.00 0.00 C ATOM 708 C LEU A 48 5.966 5.641 1.721 1.00 0.00 C ATOM 709 O LEU A 48 7.077 6.076 2.027 1.00 0.00 O ATOM 710 CB LEU A 48 6.433 3.374 0.773 1.00 0.00 C ATOM 711 CG LEU A 48 6.007 1.922 0.557 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.318 1.480 -0.865 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.694 1.009 1.563 1.00 0.00 C ATOM 0 H LEU A 48 3.964 3.417 0.827 1.00 0.00 H new ATOM 0 HA LEU A 48 5.949 3.809 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.346 3.902 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.487 3.385 1.049 1.00 0.00 H new ATOM 0 HG LEU A 48 4.930 1.853 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.008 0.444 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.780 2.115 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.390 1.564 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.379 -0.021 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.775 1.082 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.421 1.311 2.574 1.00 0.00 H new ATOM 725 N LEU A 49 4.982 6.419 1.284 1.00 0.00 N ATOM 726 CA LEU A 49 5.153 7.860 1.135 1.00 0.00 C ATOM 727 C LEU A 49 4.785 8.588 2.424 1.00 0.00 C ATOM 728 O LEU A 49 5.625 9.244 3.041 1.00 0.00 O ATOM 729 CB LEU A 49 4.295 8.379 -0.020 1.00 0.00 C ATOM 730 CG LEU A 49 4.346 9.887 -0.269 1.00 0.00 C ATOM 731 CD1 LEU A 49 4.036 10.198 -1.725 1.00 0.00 C ATOM 732 CD2 LEU A 49 3.375 10.612 0.652 1.00 0.00 C ATOM 0 H LEU A 49 4.057 6.076 1.026 1.00 0.00 H new ATOM 0 HA LEU A 49 6.203 8.056 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.604 7.870 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.259 8.097 0.168 1.00 0.00 H new ATOM 0 HG LEU A 49 5.354 10.239 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.077 11.276 -1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.770 9.709 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.039 9.833 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.424 11.684 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.362 10.256 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.643 10.415 1.690 1.00 0.00 H new ATOM 744 N THR A 50 3.524 8.466 2.827 1.00 0.00 N ATOM 745 CA THR A 50 3.045 9.111 4.043 1.00 0.00 C ATOM 746 C THR A 50 3.458 8.325 5.282 1.00 0.00 C ATOM 747 O THR A 50 3.868 8.903 6.288 1.00 0.00 O ATOM 748 CB THR A 50 1.512 9.262 4.032 1.00 0.00 C ATOM 749 OG1 THR A 50 0.899 8.012 3.696 1.00 0.00 O ATOM 750 CG2 THR A 50 1.080 10.328 3.036 1.00 0.00 C ATOM 0 H THR A 50 2.816 7.926 2.329 1.00 0.00 H new ATOM 0 HA THR A 50 3.500 10.101 4.076 1.00 0.00 H new ATOM 0 HB THR A 50 1.192 9.567 5.028 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.075 8.116 3.693 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.006 10.417 3.046 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.525 11.284 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.412 10.048 2.036 1.00 0.00 H new ATOM 758 N GLY A 51 3.347 7.002 5.202 1.00 0.00 N ATOM 759 CA GLY A 51 3.714 6.159 6.324 1.00 0.00 C ATOM 760 C GLY A 51 2.520 5.778 7.177 1.00 0.00 C ATOM 761 O GLY A 51 2.656 5.550 8.380 1.00 0.00 O ATOM 0 H GLY A 51 3.010 6.500 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.195 5.254 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.447 6.679 6.941 1.00 0.00 H new ATOM 765 N ARG A 52 1.348 5.709 6.555 1.00 0.00 N ATOM 766 CA ARG A 52 0.125 5.356 7.266 1.00 0.00 C ATOM 767 C ARG A 52 -0.408 4.007 6.794 1.00 0.00 C ATOM 768 O ARG A 52 -0.229 3.627 5.636 1.00 0.00 O ATOM 769 CB ARG A 52 -0.939 6.437 7.063 1.00 0.00 C ATOM 770 CG ARG A 52 -0.439 7.844 7.347 1.00 0.00 C ATOM 771 CD ARG A 52 -1.592 8.824 7.497 1.00 0.00 C ATOM 772 NE ARG A 52 -1.230 9.974 8.322 1.00 0.00 N ATOM 773 CZ ARG A 52 -2.090 10.918 8.685 1.00 0.00 C ATOM 774 NH1 ARG A 52 -3.356 10.851 8.298 1.00 0.00 N ATOM 775 NH2 ARG A 52 -1.684 11.933 9.437 1.00 0.00 N ATOM 0 H ARG A 52 1.219 5.893 5.560 1.00 0.00 H new ATOM 0 HA ARG A 52 0.360 5.283 8.328 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.302 6.390 6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.789 6.225 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.159 7.842 8.258 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.214 8.170 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.905 9.169 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.446 8.313 7.942 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.263 10.056 8.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.672 10.073 7.720 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.014 11.578 8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.711 11.988 9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.345 12.658 9.715 1.00 0.00 H new ATOM 789 N THR A 53 -1.064 3.286 7.698 1.00 0.00 N ATOM 790 CA THR A 53 -1.622 1.979 7.375 1.00 0.00 C ATOM 791 C THR A 53 -3.146 2.008 7.408 1.00 0.00 C ATOM 792 O THR A 53 -3.747 2.413 8.401 1.00 0.00 O ATOM 793 CB THR A 53 -1.120 0.897 8.350 1.00 0.00 C ATOM 794 OG1 THR A 53 0.258 1.125 8.667 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.284 -0.491 7.750 1.00 0.00 C ATOM 0 H THR A 53 -1.222 3.586 8.660 1.00 0.00 H new ATOM 0 HA THR A 53 -1.287 1.733 6.367 1.00 0.00 H new ATOM 0 HB THR A 53 -1.717 0.955 9.260 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.569 0.434 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.923 -1.238 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.337 -0.673 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.710 -0.558 6.826 1.00 0.00 H new ATOM 803 N GLY A 54 -3.765 1.575 6.314 1.00 0.00 N ATOM 804 CA GLY A 54 -5.214 1.559 6.239 1.00 0.00 C ATOM 805 C GLY A 54 -5.728 0.654 5.137 1.00 0.00 C ATOM 806 O GLY A 54 -4.955 -0.067 4.506 1.00 0.00 O ATOM 0 H GLY A 54 -3.289 1.235 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.620 1.229 7.195 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.577 2.573 6.071 1.00 0.00 H new ATOM 810 N ILE A 55 -7.036 0.689 4.907 1.00 0.00 N ATOM 811 CA ILE A 55 -7.652 -0.136 3.874 1.00 0.00 C ATOM 812 C ILE A 55 -8.007 0.695 2.646 1.00 0.00 C ATOM 813 O ILE A 55 -8.759 1.666 2.737 1.00 0.00 O ATOM 814 CB ILE A 55 -8.923 -0.833 4.394 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.840 0.179 5.085 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.557 -1.961 5.347 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.179 -0.396 5.489 1.00 0.00 C ATOM 0 H ILE A 55 -7.690 1.279 5.421 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.920 -0.894 3.597 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.458 -1.260 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.338 0.566 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.004 1.024 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.466 -2.444 5.706 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.940 -2.692 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.003 -1.556 6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.776 0.377 5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.702 -0.757 4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.026 -1.223 6.183 1.00 0.00 H new ATOM 829 N PHE A 56 -7.463 0.307 1.498 1.00 0.00 N ATOM 830 CA PHE A 56 -7.723 1.015 0.250 1.00 0.00 C ATOM 831 C PHE A 56 -8.283 0.068 -0.807 1.00 0.00 C ATOM 832 O PHE A 56 -8.078 -1.146 -0.760 1.00 0.00 O ATOM 833 CB PHE A 56 -6.441 1.672 -0.265 1.00 0.00 C ATOM 834 CG PHE A 56 -5.229 0.793 -0.149 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.003 -0.223 -1.063 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.315 0.983 0.876 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.888 -1.033 -0.959 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.198 0.176 0.985 1.00 0.00 C ATOM 839 CZ PHE A 56 -2.985 -0.834 0.067 1.00 0.00 C ATOM 0 H PHE A 56 -6.839 -0.494 1.406 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.465 1.788 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.579 1.951 -1.310 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.266 2.594 0.290 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.706 -0.384 -1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.478 1.770 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.723 -1.821 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.492 0.335 1.787 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.114 -1.467 0.151 1.00 0.00 H new ATOM 849 N PRO A 57 -9.007 0.633 -1.784 1.00 0.00 N ATOM 850 CA PRO A 57 -9.611 -0.142 -2.872 1.00 0.00 C ATOM 851 C PRO A 57 -8.569 -0.701 -3.834 1.00 0.00 C ATOM 852 O PRO A 57 -7.754 0.042 -4.381 1.00 0.00 O ATOM 853 CB PRO A 57 -10.502 0.880 -3.583 1.00 0.00 C ATOM 854 CG PRO A 57 -9.882 2.199 -3.280 1.00 0.00 C ATOM 855 CD PRO A 57 -9.291 2.073 -1.903 1.00 0.00 C ATOM 0 HA PRO A 57 -10.151 -1.013 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.536 0.696 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.528 0.832 -3.219 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.114 2.447 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.625 2.996 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.386 2.671 -1.798 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.987 2.410 -1.135 1.00 0.00 H new ATOM 863 N SER A 58 -8.600 -2.014 -4.036 1.00 0.00 N ATOM 864 CA SER A 58 -7.655 -2.673 -4.930 1.00 0.00 C ATOM 865 C SER A 58 -7.679 -2.031 -6.314 1.00 0.00 C ATOM 866 O SER A 58 -6.659 -1.970 -7.000 1.00 0.00 O ATOM 867 CB SER A 58 -7.981 -4.164 -5.042 1.00 0.00 C ATOM 868 OG SER A 58 -9.164 -4.373 -5.793 1.00 0.00 O ATOM 0 H SER A 58 -9.270 -2.643 -3.593 1.00 0.00 H new ATOM 0 HA SER A 58 -6.655 -2.557 -4.511 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.149 -4.687 -5.515 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.099 -4.589 -4.045 1.00 0.00 H new ATOM 0 HG SER A 58 -9.349 -5.334 -5.851 1.00 0.00 H new ATOM 874 N ASP A 59 -8.851 -1.553 -6.718 1.00 0.00 N ATOM 875 CA ASP A 59 -9.010 -0.914 -8.019 1.00 0.00 C ATOM 876 C ASP A 59 -8.109 0.311 -8.136 1.00 0.00 C ATOM 877 O ASP A 59 -7.761 0.735 -9.238 1.00 0.00 O ATOM 878 CB ASP A 59 -10.469 -0.512 -8.239 1.00 0.00 C ATOM 879 CG ASP A 59 -11.425 -1.671 -8.035 1.00 0.00 C ATOM 880 OD1 ASP A 59 -11.852 -1.891 -6.883 1.00 0.00 O ATOM 881 OD2 ASP A 59 -11.746 -2.358 -9.028 1.00 0.00 O ATOM 0 H ASP A 59 -9.705 -1.596 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.719 -1.631 -8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.728 0.294 -7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.587 -0.121 -9.250 1.00 0.00 H new ATOM 886 N TYR A 60 -7.735 0.876 -6.993 1.00 0.00 N ATOM 887 CA TYR A 60 -6.878 2.055 -6.967 1.00 0.00 C ATOM 888 C TYR A 60 -5.406 1.659 -7.031 1.00 0.00 C ATOM 889 O TYR A 60 -4.563 2.428 -7.495 1.00 0.00 O ATOM 890 CB TYR A 60 -7.142 2.876 -5.704 1.00 0.00 C ATOM 891 CG TYR A 60 -8.340 3.792 -5.817 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.584 3.299 -6.191 1.00 0.00 C ATOM 893 CD2 TYR A 60 -8.227 5.151 -5.549 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.680 4.133 -6.296 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.319 5.992 -5.650 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.543 5.478 -6.024 1.00 0.00 C ATOM 897 OH TYR A 60 -11.633 6.311 -6.126 1.00 0.00 O ATOM 0 H TYR A 60 -8.012 0.536 -6.072 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.111 2.662 -7.842 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.292 2.197 -4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.259 3.473 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.696 2.246 -6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.270 5.557 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.640 3.734 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.215 7.046 -5.437 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.367 7.227 -5.900 1.00 0.00 H new ATOM 907 N VAL A 61 -5.103 0.452 -6.563 1.00 0.00 N ATOM 908 CA VAL A 61 -3.734 -0.048 -6.568 1.00 0.00 C ATOM 909 C VAL A 61 -3.564 -1.173 -7.583 1.00 0.00 C ATOM 910 O VAL A 61 -4.339 -2.129 -7.602 1.00 0.00 O ATOM 911 CB VAL A 61 -3.318 -0.561 -5.176 1.00 0.00 C ATOM 912 CG1 VAL A 61 -3.100 0.603 -4.222 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.364 -1.521 -4.629 1.00 0.00 C ATOM 0 H VAL A 61 -5.788 -0.197 -6.176 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.093 0.789 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.376 -1.102 -5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.807 0.222 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.313 1.249 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.024 1.173 -4.127 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.055 -1.874 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.321 -1.007 -4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.466 -2.371 -5.304 1.00 0.00 H new ATOM 923 N ILE A 62 -2.544 -1.052 -8.426 1.00 0.00 N ATOM 924 CA ILE A 62 -2.271 -2.060 -9.444 1.00 0.00 C ATOM 925 C ILE A 62 -0.993 -2.829 -9.126 1.00 0.00 C ATOM 926 O ILE A 62 0.028 -2.256 -8.745 1.00 0.00 O ATOM 927 CB ILE A 62 -2.142 -1.427 -10.842 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.415 -2.473 -11.925 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.760 -0.818 -11.023 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.403 -1.907 -13.328 1.00 0.00 C ATOM 0 H ILE A 62 -1.893 -0.267 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.116 -2.748 -9.443 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.882 -0.632 -10.935 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.666 -3.262 -11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.384 -2.935 -11.737 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.685 -0.375 -12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.600 -0.048 -10.269 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.003 -1.595 -10.914 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.604 -2.704 -14.044 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.171 -1.138 -13.417 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.426 -1.470 -13.536 1.00 0.00 H new ATOM 942 N PRO A 63 -1.047 -4.159 -9.289 1.00 0.00 N ATOM 943 CA PRO A 63 0.098 -5.036 -9.028 1.00 0.00 C ATOM 944 C PRO A 63 1.211 -4.858 -10.055 1.00 0.00 C ATOM 945 O PRO A 63 1.107 -5.333 -11.186 1.00 0.00 O ATOM 946 CB PRO A 63 -0.501 -6.441 -9.127 1.00 0.00 C ATOM 947 CG PRO A 63 -1.688 -6.285 -10.014 1.00 0.00 C ATOM 948 CD PRO A 63 -2.231 -4.910 -9.741 1.00 0.00 C ATOM 0 HA PRO A 63 0.563 -4.823 -8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.215 -7.148 -9.545 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.787 -6.819 -8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.409 -6.393 -11.062 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.436 -7.049 -9.803 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.671 -4.467 -10.635 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.010 -4.930 -8.979 1.00 0.00 H new ATOM 956 N VAL A 64 2.276 -4.171 -9.654 1.00 0.00 N ATOM 957 CA VAL A 64 3.409 -3.931 -10.539 1.00 0.00 C ATOM 958 C VAL A 64 4.196 -5.214 -10.784 1.00 0.00 C ATOM 959 O VAL A 64 4.030 -6.202 -10.069 1.00 0.00 O ATOM 960 CB VAL A 64 4.356 -2.863 -9.962 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.668 -1.507 -9.917 1.00 0.00 C ATOM 962 CG2 VAL A 64 4.839 -3.271 -8.578 1.00 0.00 C ATOM 0 H VAL A 64 2.378 -3.771 -8.721 1.00 0.00 H new ATOM 0 HA VAL A 64 3.002 -3.572 -11.484 1.00 0.00 H new ATOM 0 HB VAL A 64 5.224 -2.781 -10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.353 -0.765 -9.506 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.377 -1.213 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.781 -1.570 -9.287 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.507 -2.505 -8.185 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.983 -3.382 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.373 -4.219 -8.644 1.00 0.00 H new ATOM 972 N SER A 65 5.054 -5.191 -11.798 1.00 0.00 N ATOM 973 CA SER A 65 5.866 -6.353 -12.140 1.00 0.00 C ATOM 974 C SER A 65 6.993 -5.968 -13.093 1.00 0.00 C ATOM 975 O SER A 65 6.825 -5.105 -13.954 1.00 0.00 O ATOM 976 CB SER A 65 4.996 -7.441 -12.773 1.00 0.00 C ATOM 977 OG SER A 65 5.659 -8.693 -12.766 1.00 0.00 O ATOM 0 H SER A 65 5.205 -4.380 -12.398 1.00 0.00 H new ATOM 0 HA SER A 65 6.308 -6.739 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.055 -7.521 -12.228 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.749 -7.163 -13.797 1.00 0.00 H new ATOM 0 HG SER A 65 5.081 -9.371 -13.174 1.00 0.00 H new ATOM 983 N GLY A 66 8.143 -6.615 -12.932 1.00 0.00 N ATOM 984 CA GLY A 66 9.282 -6.327 -13.785 1.00 0.00 C ATOM 985 C GLY A 66 10.253 -5.354 -13.146 1.00 0.00 C ATOM 986 O GLY A 66 9.863 -4.454 -12.402 1.00 0.00 O ATOM 0 H GLY A 66 8.307 -7.333 -12.226 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.803 -7.256 -14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.929 -5.915 -14.731 1.00 0.00 H new ATOM 990 N PRO A 67 11.550 -5.530 -13.436 1.00 0.00 N ATOM 991 CA PRO A 67 12.607 -4.670 -12.894 1.00 0.00 C ATOM 992 C PRO A 67 12.566 -3.263 -13.480 1.00 0.00 C ATOM 993 O PRO A 67 13.157 -2.334 -12.930 1.00 0.00 O ATOM 994 CB PRO A 67 13.894 -5.386 -13.310 1.00 0.00 C ATOM 995 CG PRO A 67 13.518 -6.171 -14.519 1.00 0.00 C ATOM 996 CD PRO A 67 12.086 -6.582 -14.317 1.00 0.00 C ATOM 0 HA PRO A 67 12.509 -4.532 -11.817 1.00 0.00 H new ATOM 0 HB2 PRO A 67 14.689 -4.674 -13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.260 -6.035 -12.515 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.628 -5.572 -15.423 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.162 -7.043 -14.634 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.544 -6.629 -15.262 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.012 -7.568 -13.857 1.00 0.00 H new ATOM 1004 N SER A 68 11.863 -3.112 -14.598 1.00 0.00 N ATOM 1005 CA SER A 68 11.748 -1.818 -15.260 1.00 0.00 C ATOM 1006 C SER A 68 11.210 -0.763 -14.300 1.00 0.00 C ATOM 1007 O SER A 68 11.808 0.299 -14.128 1.00 0.00 O ATOM 1008 CB SER A 68 10.834 -1.926 -16.482 1.00 0.00 C ATOM 1009 OG SER A 68 9.539 -2.367 -16.113 1.00 0.00 O ATOM 0 H SER A 68 11.364 -3.870 -15.064 1.00 0.00 H new ATOM 0 HA SER A 68 12.743 -1.514 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.765 -0.956 -16.975 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.266 -2.620 -17.203 1.00 0.00 H new ATOM 0 HG SER A 68 8.974 -2.426 -16.911 1.00 0.00 H new ATOM 1015 N SER A 69 10.075 -1.063 -13.676 1.00 0.00 N ATOM 1016 CA SER A 69 9.453 -0.139 -12.735 1.00 0.00 C ATOM 1017 C SER A 69 10.171 -0.168 -11.389 1.00 0.00 C ATOM 1018 O SER A 69 10.819 -1.154 -11.039 1.00 0.00 O ATOM 1019 CB SER A 69 7.976 -0.490 -12.545 1.00 0.00 C ATOM 1020 OG SER A 69 7.818 -1.543 -11.609 1.00 0.00 O ATOM 0 H SER A 69 9.568 -1.938 -13.805 1.00 0.00 H new ATOM 0 HA SER A 69 9.531 0.867 -13.147 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.431 0.390 -12.203 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.542 -0.781 -13.502 1.00 0.00 H new ATOM 0 HG SER A 69 6.940 -1.961 -11.732 1.00 0.00 H new ATOM 1026 N GLY A 70 10.052 0.922 -10.638 1.00 0.00 N ATOM 1027 CA GLY A 70 10.694 1.003 -9.339 1.00 0.00 C ATOM 1028 C GLY A 70 11.389 2.332 -9.117 1.00 0.00 C ATOM 1029 O GLY A 70 12.617 2.410 -9.147 1.00 0.00 O ATOM 0 H GLY A 70 9.522 1.751 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.948 0.852 -8.559 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.421 0.196 -9.246 1.00 0.00 H new TER 1033 GLY A 70