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 -147:sc= -0.542 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= -0.157 USER MOD Set 2.1: A 16 TYR OH : rot 110:sc= -2.07 USER MOD Set 2.2: A 19 HIS : no HD1:sc= -1.36 K(o=-3.4,f=-4.1) 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= -0.134 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= -1.57 K(o=-1.6,f=-0.35) USER MOD Single : A 9 MET CE :methyl 175:sc= -4.95! (180deg=-5.22!) USER MOD Single : A 14 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-2.4) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.367 K(o=-0.37,f=-3!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.131 (180deg=-0.469) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 1.19 K(o=1.2,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= -0.147 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 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.415 1.539 -12.167 1.00 0.00 N ATOM 2 CA GLY A 1 16.487 1.330 -10.733 1.00 0.00 C ATOM 3 C GLY A 1 15.388 0.419 -10.224 1.00 0.00 C ATOM 4 O GLY A 1 14.204 0.730 -10.353 1.00 0.00 O ATOM 0 H1 GLY A 1 17.187 2.168 -12.465 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.504 0.625 -12.656 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.502 1.973 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.457 0.901 -10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.422 2.292 -10.225 1.00 0.00 H new ATOM 8 N SER A 2 15.780 -0.712 -9.644 1.00 0.00 N ATOM 9 CA SER A 2 14.819 -1.674 -9.119 1.00 0.00 C ATOM 10 C SER A 2 14.821 -1.666 -7.593 1.00 0.00 C ATOM 11 O SER A 2 15.862 -1.478 -6.964 1.00 0.00 O ATOM 12 CB SER A 2 15.138 -3.079 -9.633 1.00 0.00 C ATOM 13 OG SER A 2 14.213 -4.028 -9.132 1.00 0.00 O ATOM 0 H SER A 2 16.756 -0.984 -9.526 1.00 0.00 H new ATOM 0 HA SER A 2 13.827 -1.385 -9.466 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.115 -3.085 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.148 -3.358 -9.334 1.00 0.00 H new ATOM 0 HG SER A 2 14.438 -4.917 -9.477 1.00 0.00 H new ATOM 19 N SER A 3 13.647 -1.873 -7.005 1.00 0.00 N ATOM 20 CA SER A 3 13.512 -1.886 -5.553 1.00 0.00 C ATOM 21 C SER A 3 14.661 -2.654 -4.907 1.00 0.00 C ATOM 22 O SER A 3 15.310 -2.162 -3.985 1.00 0.00 O ATOM 23 CB SER A 3 12.175 -2.512 -5.150 1.00 0.00 C ATOM 24 OG SER A 3 12.082 -3.851 -5.602 1.00 0.00 O ATOM 0 H SER A 3 12.776 -2.034 -7.511 1.00 0.00 H new ATOM 0 HA SER A 3 13.544 -0.855 -5.201 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.068 -2.483 -4.066 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.355 -1.926 -5.567 1.00 0.00 H new ATOM 0 HG SER A 3 11.220 -4.229 -5.330 1.00 0.00 H new ATOM 30 N GLY A 4 14.906 -3.864 -5.399 1.00 0.00 N ATOM 31 CA GLY A 4 15.977 -4.682 -4.859 1.00 0.00 C ATOM 32 C GLY A 4 15.459 -5.865 -4.066 1.00 0.00 C ATOM 33 O GLY A 4 15.505 -7.003 -4.533 1.00 0.00 O ATOM 0 H GLY A 4 14.382 -4.293 -6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.602 -5.042 -5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.611 -4.069 -4.219 1.00 0.00 H new ATOM 37 N SER A 5 14.965 -5.598 -2.861 1.00 0.00 N ATOM 38 CA SER A 5 14.441 -6.650 -1.998 1.00 0.00 C ATOM 39 C SER A 5 13.182 -7.268 -2.598 1.00 0.00 C ATOM 40 O SER A 5 12.519 -6.660 -3.439 1.00 0.00 O ATOM 41 CB SER A 5 14.137 -6.093 -0.606 1.00 0.00 C ATOM 42 OG SER A 5 15.304 -6.058 0.196 1.00 0.00 O ATOM 0 H SER A 5 14.917 -4.661 -2.460 1.00 0.00 H new ATOM 0 HA SER A 5 15.200 -7.427 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.723 -5.089 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.378 -6.708 -0.123 1.00 0.00 H new ATOM 0 HG SER A 5 15.083 -5.697 1.080 1.00 0.00 H new ATOM 48 N SER A 6 12.858 -8.480 -2.160 1.00 0.00 N ATOM 49 CA SER A 6 11.681 -9.183 -2.656 1.00 0.00 C ATOM 50 C SER A 6 10.466 -8.894 -1.779 1.00 0.00 C ATOM 51 O SER A 6 10.412 -9.305 -0.620 1.00 0.00 O ATOM 52 CB SER A 6 11.943 -10.690 -2.705 1.00 0.00 C ATOM 53 OG SER A 6 11.051 -11.334 -3.598 1.00 0.00 O ATOM 0 H SER A 6 13.394 -8.996 -1.462 1.00 0.00 H new ATOM 0 HA SER A 6 11.473 -8.825 -3.664 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.971 -10.874 -3.018 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.833 -11.114 -1.707 1.00 0.00 H new ATOM 0 HG SER A 6 11.240 -12.295 -3.613 1.00 0.00 H new ATOM 59 N GLY A 7 9.493 -8.184 -2.341 1.00 0.00 N ATOM 60 CA GLY A 7 8.292 -7.852 -1.597 1.00 0.00 C ATOM 61 C GLY A 7 7.107 -7.578 -2.502 1.00 0.00 C ATOM 62 O GLY A 7 6.991 -8.164 -3.577 1.00 0.00 O ATOM 0 H GLY A 7 9.515 -7.833 -3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.048 -8.672 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.483 -6.976 -0.978 1.00 0.00 H new ATOM 66 N ASN A 8 6.223 -6.687 -2.064 1.00 0.00 N ATOM 67 CA ASN A 8 5.039 -6.339 -2.841 1.00 0.00 C ATOM 68 C ASN A 8 4.932 -4.828 -3.021 1.00 0.00 C ATOM 69 O ASN A 8 4.816 -4.083 -2.049 1.00 0.00 O ATOM 70 CB ASN A 8 3.779 -6.873 -2.156 1.00 0.00 C ATOM 71 CG ASN A 8 3.887 -6.843 -0.643 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.091 -7.876 -0.004 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.750 -5.657 -0.063 1.00 0.00 N ATOM 0 H ASN A 8 6.304 -6.193 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 8 5.132 -6.799 -3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.920 -6.279 -2.468 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.596 -7.896 -2.484 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.813 -5.575 0.952 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.582 -4.827 -0.632 1.00 0.00 H new ATOM 80 N MET A 9 4.971 -4.383 -4.273 1.00 0.00 N ATOM 81 CA MET A 9 4.877 -2.961 -4.582 1.00 0.00 C ATOM 82 C MET A 9 3.543 -2.637 -5.247 1.00 0.00 C ATOM 83 O MET A 9 3.096 -3.350 -6.146 1.00 0.00 O ATOM 84 CB MET A 9 6.031 -2.537 -5.492 1.00 0.00 C ATOM 85 CG MET A 9 7.318 -2.238 -4.742 1.00 0.00 C ATOM 86 SD MET A 9 7.451 -0.507 -4.253 1.00 0.00 S ATOM 87 CE MET A 9 5.764 -0.165 -3.759 1.00 0.00 C ATOM 0 H MET A 9 5.067 -4.987 -5.090 1.00 0.00 H new ATOM 0 HA MET A 9 4.941 -2.406 -3.646 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.219 -3.327 -6.219 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.733 -1.652 -6.054 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.371 -2.868 -3.854 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.169 -2.501 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.703 0.842 -3.347 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.108 -0.243 -4.626 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.453 -0.886 -3.003 1.00 0.00 H new ATOM 97 N PHE A 10 2.911 -1.556 -4.801 1.00 0.00 N ATOM 98 CA PHE A 10 1.628 -1.138 -5.352 1.00 0.00 C ATOM 99 C PHE A 10 1.465 0.376 -5.263 1.00 0.00 C ATOM 100 O PHE A 10 1.550 0.959 -4.182 1.00 0.00 O ATOM 101 CB PHE A 10 0.481 -1.831 -4.613 1.00 0.00 C ATOM 102 CG PHE A 10 0.361 -3.294 -4.929 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.158 -4.224 -4.281 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.550 -3.740 -5.873 1.00 0.00 C ATOM 105 CE1 PHE A 10 1.050 -5.571 -4.571 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.663 -5.086 -6.167 1.00 0.00 C ATOM 107 CZ PHE A 10 0.138 -6.003 -5.514 1.00 0.00 C ATOM 0 H PHE A 10 3.267 -0.954 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 10 1.601 -1.427 -6.403 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.626 -1.710 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.456 -1.335 -4.866 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.872 -3.893 -3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.179 -3.027 -6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.679 -6.286 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.376 -5.420 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.051 -7.055 -5.740 1.00 0.00 H new ATOM 117 N VAL A 11 1.230 1.009 -6.409 1.00 0.00 N ATOM 118 CA VAL A 11 1.054 2.455 -6.461 1.00 0.00 C ATOM 119 C VAL A 11 -0.409 2.838 -6.270 1.00 0.00 C ATOM 120 O VAL A 11 -1.294 1.983 -6.300 1.00 0.00 O ATOM 121 CB VAL A 11 1.554 3.033 -7.798 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.723 4.541 -7.698 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.858 2.368 -8.211 1.00 0.00 C ATOM 0 H VAL A 11 1.157 0.542 -7.313 1.00 0.00 H new ATOM 0 HA VAL A 11 1.646 2.875 -5.648 1.00 0.00 H new ATOM 0 HB VAL A 11 0.808 2.826 -8.565 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.077 4.932 -8.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.765 4.999 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.448 4.775 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.197 2.788 -9.158 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.614 2.542 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.699 1.296 -8.326 1.00 0.00 H new ATOM 133 N ALA A 12 -0.657 4.129 -6.073 1.00 0.00 N ATOM 134 CA ALA A 12 -2.013 4.626 -5.879 1.00 0.00 C ATOM 135 C ALA A 12 -2.526 5.324 -7.134 1.00 0.00 C ATOM 136 O ALA A 12 -3.637 5.058 -7.595 1.00 0.00 O ATOM 137 CB ALA A 12 -2.063 5.572 -4.689 1.00 0.00 C ATOM 0 H ALA A 12 0.064 4.850 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.661 3.773 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.082 5.936 -4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.746 5.043 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.397 6.416 -4.867 1.00 0.00 H new ATOM 143 N LEU A 13 -1.712 6.220 -7.682 1.00 0.00 N ATOM 144 CA LEU A 13 -2.084 6.958 -8.884 1.00 0.00 C ATOM 145 C LEU A 13 -3.411 7.685 -8.688 1.00 0.00 C ATOM 146 O LEU A 13 -4.161 7.898 -9.640 1.00 0.00 O ATOM 147 CB LEU A 13 -2.183 6.008 -10.079 1.00 0.00 C ATOM 148 CG LEU A 13 -1.083 4.951 -10.189 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.456 3.708 -9.396 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.826 4.599 -11.647 1.00 0.00 C ATOM 0 H LEU A 13 -0.790 6.453 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.309 7.700 -9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.146 5.499 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.180 6.603 -10.992 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.166 5.363 -9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.662 2.967 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.589 3.972 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.385 3.293 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.040 3.846 -11.706 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.740 4.206 -12.093 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.513 5.493 -12.187 1.00 0.00 H new ATOM 162 N HIS A 14 -3.692 8.067 -7.446 1.00 0.00 N ATOM 163 CA HIS A 14 -4.927 8.774 -7.125 1.00 0.00 C ATOM 164 C HIS A 14 -4.854 9.390 -5.731 1.00 0.00 C ATOM 165 O HIS A 14 -4.147 8.889 -4.855 1.00 0.00 O ATOM 166 CB HIS A 14 -6.121 7.823 -7.213 1.00 0.00 C ATOM 167 CG HIS A 14 -6.640 7.640 -8.606 1.00 0.00 C ATOM 168 ND1 HIS A 14 -6.886 8.692 -9.462 1.00 0.00 N ATOM 169 CD2 HIS A 14 -6.956 6.517 -9.292 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.334 8.225 -10.613 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.386 6.907 -10.536 1.00 0.00 N ATOM 0 H HIS A 14 -3.082 7.899 -6.646 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.057 9.576 -7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.832 6.852 -6.811 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.924 8.202 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.883 5.503 -8.928 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.611 8.819 -11.471 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.695 6.281 -11.280 1.00 0.00 H new ATOM 180 N THR A 15 -5.588 10.480 -5.532 1.00 0.00 N ATOM 181 CA THR A 15 -5.604 11.166 -4.246 1.00 0.00 C ATOM 182 C THR A 15 -6.868 10.833 -3.461 1.00 0.00 C ATOM 183 O THR A 15 -7.935 11.391 -3.718 1.00 0.00 O ATOM 184 CB THR A 15 -5.511 12.693 -4.422 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.476 13.016 -5.357 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.230 13.376 -3.092 1.00 0.00 C ATOM 0 H THR A 15 -6.179 10.907 -6.245 1.00 0.00 H new ATOM 0 HA THR A 15 -4.732 10.818 -3.692 1.00 0.00 H new ATOM 0 HB THR A 15 -6.468 13.051 -4.801 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.424 13.989 -5.465 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.169 14.454 -3.242 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.034 13.152 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.285 13.012 -2.688 1.00 0.00 H new ATOM 194 N TYR A 16 -6.741 9.920 -2.504 1.00 0.00 N ATOM 195 CA TYR A 16 -7.874 9.511 -1.683 1.00 0.00 C ATOM 196 C TYR A 16 -7.738 10.048 -0.261 1.00 0.00 C ATOM 197 O TYR A 16 -6.830 9.663 0.476 1.00 0.00 O ATOM 198 CB TYR A 16 -7.988 7.986 -1.656 1.00 0.00 C ATOM 199 CG TYR A 16 -9.150 7.480 -0.832 1.00 0.00 C ATOM 200 CD1 TYR A 16 -10.404 7.298 -1.403 1.00 0.00 C ATOM 201 CD2 TYR A 16 -8.995 7.184 0.516 1.00 0.00 C ATOM 202 CE1 TYR A 16 -11.469 6.836 -0.654 1.00 0.00 C ATOM 203 CE2 TYR A 16 -10.054 6.721 1.272 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.289 6.548 0.683 1.00 0.00 C ATOM 205 OH TYR A 16 -12.347 6.088 1.433 1.00 0.00 O ATOM 0 H TYR A 16 -5.865 9.449 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.779 9.928 -2.125 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.091 7.620 -2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.063 7.568 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.548 7.521 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.030 7.318 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.437 6.701 -1.113 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.916 6.496 2.319 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.199 5.147 1.665 1.00 0.00 H new ATOM 215 N SER A 17 -8.649 10.939 0.118 1.00 0.00 N ATOM 216 CA SER A 17 -8.630 11.531 1.451 1.00 0.00 C ATOM 217 C SER A 17 -9.372 10.647 2.449 1.00 0.00 C ATOM 218 O SER A 17 -10.599 10.676 2.528 1.00 0.00 O ATOM 219 CB SER A 17 -9.260 12.925 1.421 1.00 0.00 C ATOM 220 OG SER A 17 -8.695 13.718 0.391 1.00 0.00 O ATOM 0 H SER A 17 -9.409 11.267 -0.478 1.00 0.00 H new ATOM 0 HA SER A 17 -7.591 11.616 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.336 12.838 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.113 13.415 2.384 1.00 0.00 H new ATOM 0 HG SER A 17 -9.116 14.603 0.392 1.00 0.00 H new ATOM 226 N ALA A 18 -8.616 9.862 3.209 1.00 0.00 N ATOM 227 CA ALA A 18 -9.200 8.970 4.204 1.00 0.00 C ATOM 228 C ALA A 18 -10.394 9.623 4.892 1.00 0.00 C ATOM 229 O ALA A 18 -10.317 10.769 5.336 1.00 0.00 O ATOM 230 CB ALA A 18 -8.152 8.566 5.230 1.00 0.00 C ATOM 0 H ALA A 18 -7.598 9.825 3.155 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.554 8.075 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.602 7.900 5.967 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.332 8.052 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.771 9.456 5.730 1.00 0.00 H new ATOM 236 N HIS A 19 -11.497 8.887 4.978 1.00 0.00 N ATOM 237 CA HIS A 19 -12.708 9.395 5.614 1.00 0.00 C ATOM 238 C HIS A 19 -12.923 8.740 6.975 1.00 0.00 C ATOM 239 O HIS A 19 -13.542 9.324 7.864 1.00 0.00 O ATOM 240 CB HIS A 19 -13.922 9.147 4.718 1.00 0.00 C ATOM 241 CG HIS A 19 -13.777 9.720 3.341 1.00 0.00 C ATOM 242 ND1 HIS A 19 -13.236 10.965 3.097 1.00 0.00 N ATOM 243 CD2 HIS A 19 -14.105 9.210 2.131 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.239 11.196 1.797 1.00 0.00 C ATOM 245 NE2 HIS A 19 -13.761 10.147 1.188 1.00 0.00 N ATOM 0 H HIS A 19 -11.578 7.937 4.616 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.588 10.468 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -14.092 8.073 4.640 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.806 9.576 5.190 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -14.554 8.246 1.942 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -12.876 12.091 1.314 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -13.888 10.049 0.181 1.00 0.00 H new ATOM 254 N ARG A 20 -12.409 7.524 7.129 1.00 0.00 N ATOM 255 CA ARG A 20 -12.547 6.789 8.381 1.00 0.00 C ATOM 256 C ARG A 20 -11.182 6.528 9.011 1.00 0.00 C ATOM 257 O ARG A 20 -10.144 6.600 8.354 1.00 0.00 O ATOM 258 CB ARG A 20 -13.272 5.464 8.141 1.00 0.00 C ATOM 259 CG ARG A 20 -14.783 5.563 8.279 1.00 0.00 C ATOM 260 CD ARG A 20 -15.426 6.078 7.001 1.00 0.00 C ATOM 261 NE ARG A 20 -16.831 6.427 7.198 1.00 0.00 N ATOM 262 CZ ARG A 20 -17.816 5.536 7.199 1.00 0.00 C ATOM 263 NH1 ARG A 20 -17.552 4.250 7.016 1.00 0.00 N ATOM 264 NH2 ARG A 20 -19.069 5.932 7.384 1.00 0.00 N ATOM 0 H ARG A 20 -11.893 7.027 6.403 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.135 7.398 9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.030 5.103 7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.899 4.722 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.192 4.583 8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.031 6.228 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.881 6.953 6.648 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.347 5.318 6.223 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.068 7.408 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.590 3.942 6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.311 3.568 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -19.276 6.921 7.525 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -19.825 5.248 7.385 1.00 0.00 H new ATOM 278 N PRO A 21 -11.183 6.218 10.316 1.00 0.00 N ATOM 279 CA PRO A 21 -9.953 5.939 11.064 1.00 0.00 C ATOM 280 C PRO A 21 -9.308 4.621 10.650 1.00 0.00 C ATOM 281 O PRO A 21 -8.296 4.210 11.216 1.00 0.00 O ATOM 282 CB PRO A 21 -10.429 5.869 12.516 1.00 0.00 C ATOM 283 CG PRO A 21 -11.866 5.485 12.426 1.00 0.00 C ATOM 284 CD PRO A 21 -12.383 6.114 11.162 1.00 0.00 C ATOM 0 HA PRO A 21 -9.189 6.696 10.888 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.858 5.135 13.085 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.306 6.828 13.019 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.980 4.401 12.398 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.420 5.841 13.294 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.153 5.500 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.826 7.091 11.352 1.00 0.00 H new ATOM 292 N GLU A 22 -9.902 3.963 9.659 1.00 0.00 N ATOM 293 CA GLU A 22 -9.385 2.690 9.170 1.00 0.00 C ATOM 294 C GLU A 22 -8.908 2.814 7.726 1.00 0.00 C ATOM 295 O GLU A 22 -8.064 2.043 7.272 1.00 0.00 O ATOM 296 CB GLU A 22 -10.458 1.604 9.273 1.00 0.00 C ATOM 297 CG GLU A 22 -11.571 1.750 8.248 1.00 0.00 C ATOM 298 CD GLU A 22 -12.470 0.531 8.185 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.043 -0.546 8.653 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.600 0.654 7.669 1.00 0.00 O ATOM 0 H GLU A 22 -10.741 4.290 9.180 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.535 2.410 9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.988 0.628 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.891 1.626 10.273 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.171 2.627 8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.134 1.925 7.265 1.00 0.00 H new ATOM 307 N GLU A 23 -9.456 3.792 7.011 1.00 0.00 N ATOM 308 CA GLU A 23 -9.087 4.017 5.618 1.00 0.00 C ATOM 309 C GLU A 23 -7.689 4.620 5.515 1.00 0.00 C ATOM 310 O GLU A 23 -7.196 5.237 6.461 1.00 0.00 O ATOM 311 CB GLU A 23 -10.104 4.939 4.941 1.00 0.00 C ATOM 312 CG GLU A 23 -11.421 4.256 4.613 1.00 0.00 C ATOM 313 CD GLU A 23 -12.435 5.205 4.004 1.00 0.00 C ATOM 314 OE1 GLU A 23 -12.352 6.420 4.282 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.310 4.733 3.249 1.00 0.00 O ATOM 0 H GLU A 23 -10.156 4.440 7.373 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.085 3.053 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.299 5.791 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.670 5.332 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.237 3.434 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.836 3.821 5.522 1.00 0.00 H new ATOM 322 N LEU A 24 -7.056 4.438 4.362 1.00 0.00 N ATOM 323 CA LEU A 24 -5.715 4.964 4.134 1.00 0.00 C ATOM 324 C LEU A 24 -5.739 6.093 3.109 1.00 0.00 C ATOM 325 O LEU A 24 -6.428 6.007 2.093 1.00 0.00 O ATOM 326 CB LEU A 24 -4.782 3.848 3.659 1.00 0.00 C ATOM 327 CG LEU A 24 -3.307 4.004 4.029 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.484 2.873 3.430 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.779 5.353 3.563 1.00 0.00 C ATOM 0 H LEU A 24 -7.450 3.930 3.570 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.343 5.363 5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.141 2.903 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.858 3.775 2.574 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.218 3.957 5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.437 3.001 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.845 1.918 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.580 2.889 2.344 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.728 5.446 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.882 5.430 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.349 6.151 4.039 1.00 0.00 H new ATOM 341 N ASP A 25 -4.980 7.149 3.381 1.00 0.00 N ATOM 342 CA ASP A 25 -4.912 8.294 2.481 1.00 0.00 C ATOM 343 C ASP A 25 -3.960 8.017 1.321 1.00 0.00 C ATOM 344 O ASP A 25 -2.746 7.925 1.508 1.00 0.00 O ATOM 345 CB ASP A 25 -4.459 9.541 3.242 1.00 0.00 C ATOM 346 CG ASP A 25 -5.282 9.788 4.491 1.00 0.00 C ATOM 347 OD1 ASP A 25 -4.996 9.149 5.525 1.00 0.00 O ATOM 348 OD2 ASP A 25 -6.212 10.620 4.434 1.00 0.00 O ATOM 0 H ASP A 25 -4.403 7.236 4.218 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.909 8.467 2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.410 9.434 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.530 10.409 2.586 1.00 0.00 H new ATOM 353 N LEU A 26 -4.519 7.885 0.123 1.00 0.00 N ATOM 354 CA LEU A 26 -3.720 7.617 -1.068 1.00 0.00 C ATOM 355 C LEU A 26 -3.287 8.918 -1.736 1.00 0.00 C ATOM 356 O LEU A 26 -4.011 9.913 -1.707 1.00 0.00 O ATOM 357 CB LEU A 26 -4.515 6.762 -2.057 1.00 0.00 C ATOM 358 CG LEU A 26 -5.181 5.512 -1.480 1.00 0.00 C ATOM 359 CD1 LEU A 26 -6.017 4.815 -2.541 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.134 4.563 -0.915 1.00 0.00 C ATOM 0 H LEU A 26 -5.522 7.959 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.827 7.072 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.287 7.386 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.846 6.455 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.842 5.817 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.483 3.928 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.791 5.494 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.378 4.522 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.626 3.679 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.448 4.265 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.577 5.065 -0.123 1.00 0.00 H new ATOM 372 N GLN A 27 -2.103 8.901 -2.340 1.00 0.00 N ATOM 373 CA GLN A 27 -1.574 10.079 -3.017 1.00 0.00 C ATOM 374 C GLN A 27 -1.090 9.729 -4.421 1.00 0.00 C ATOM 375 O GLN A 27 -0.210 8.886 -4.593 1.00 0.00 O ATOM 376 CB GLN A 27 -0.429 10.688 -2.207 1.00 0.00 C ATOM 377 CG GLN A 27 -0.883 11.356 -0.919 1.00 0.00 C ATOM 378 CD GLN A 27 0.171 12.277 -0.336 1.00 0.00 C ATOM 379 OE1 GLN A 27 0.747 11.995 0.715 1.00 0.00 O ATOM 380 NE2 GLN A 27 0.429 13.387 -1.018 1.00 0.00 N ATOM 0 H GLN A 27 -1.492 8.085 -2.374 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.378 10.810 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.291 9.906 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.091 11.421 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.792 11.926 -1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.136 10.590 -0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.072 13.581 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.128 14.045 -0.675 1.00 0.00 H new ATOM 389 N LYS A 28 -1.672 10.382 -5.421 1.00 0.00 N ATOM 390 CA LYS A 28 -1.300 10.141 -6.811 1.00 0.00 C ATOM 391 C LYS A 28 0.216 10.159 -6.979 1.00 0.00 C ATOM 392 O LYS A 28 0.837 11.221 -6.989 1.00 0.00 O ATOM 393 CB LYS A 28 -1.937 11.194 -7.720 1.00 0.00 C ATOM 394 CG LYS A 28 -2.229 10.690 -9.123 1.00 0.00 C ATOM 395 CD LYS A 28 -2.255 11.827 -10.130 1.00 0.00 C ATOM 396 CE LYS A 28 -2.537 11.320 -11.536 1.00 0.00 C ATOM 397 NZ LYS A 28 -3.978 10.994 -11.730 1.00 0.00 N ATOM 0 H LYS A 28 -2.403 11.082 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.668 9.155 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.866 11.539 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.273 12.056 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.471 9.962 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.188 10.173 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.018 12.551 -9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.298 12.349 -10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.235 12.075 -12.262 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.935 10.432 -11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.129 10.652 -12.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.261 10.255 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.551 11.847 -11.570 1.00 0.00 H new ATOM 411 N GLY A 29 0.806 8.975 -7.112 1.00 0.00 N ATOM 412 CA GLY A 29 2.244 8.877 -7.279 1.00 0.00 C ATOM 413 C GLY A 29 2.956 8.526 -5.988 1.00 0.00 C ATOM 414 O GLY A 29 4.042 9.035 -5.712 1.00 0.00 O ATOM 0 H GLY A 29 0.313 8.082 -7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.468 8.121 -8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.628 9.825 -7.656 1.00 0.00 H new ATOM 418 N GLU A 30 2.343 7.653 -5.194 1.00 0.00 N ATOM 419 CA GLU A 30 2.924 7.237 -3.924 1.00 0.00 C ATOM 420 C GLU A 30 3.048 5.718 -3.854 1.00 0.00 C ATOM 421 O GLU A 30 2.119 4.992 -4.206 1.00 0.00 O ATOM 422 CB GLU A 30 2.074 7.745 -2.757 1.00 0.00 C ATOM 423 CG GLU A 30 0.889 6.852 -2.434 1.00 0.00 C ATOM 424 CD GLU A 30 0.213 7.228 -1.129 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.604 8.254 -0.535 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.704 6.496 -0.703 1.00 0.00 O ATOM 0 H GLU A 30 1.444 7.221 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 30 3.922 7.669 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.703 7.834 -1.872 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.711 8.746 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.163 6.911 -3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.224 5.816 -2.380 1.00 0.00 H new ATOM 433 N GLY A 31 4.203 5.244 -3.396 1.00 0.00 N ATOM 434 CA GLY A 31 4.428 3.814 -3.289 1.00 0.00 C ATOM 435 C GLY A 31 3.834 3.227 -2.024 1.00 0.00 C ATOM 436 O GLY A 31 4.147 3.672 -0.919 1.00 0.00 O ATOM 0 H GLY A 31 4.987 5.825 -3.097 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.994 3.315 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.500 3.615 -3.310 1.00 0.00 H new ATOM 440 N ILE A 32 2.974 2.228 -2.184 1.00 0.00 N ATOM 441 CA ILE A 32 2.334 1.580 -1.045 1.00 0.00 C ATOM 442 C ILE A 32 2.732 0.111 -0.954 1.00 0.00 C ATOM 443 O ILE A 32 2.969 -0.543 -1.970 1.00 0.00 O ATOM 444 CB ILE A 32 0.800 1.681 -1.129 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.367 3.146 -1.212 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.158 1.001 0.071 1.00 0.00 C ATOM 447 CD1 ILE A 32 -0.976 3.342 -1.882 1.00 0.00 C ATOM 0 H ILE A 32 2.704 1.849 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 32 2.675 2.102 -0.151 1.00 0.00 H new ATOM 0 HB ILE A 32 0.466 1.171 -2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.326 3.562 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.123 3.709 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.927 1.081 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.444 -0.051 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.496 1.485 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.219 4.404 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.934 2.956 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.743 2.807 -1.323 1.00 0.00 H new ATOM 459 N ARG A 33 2.801 -0.402 0.270 1.00 0.00 N ATOM 460 CA ARG A 33 3.169 -1.795 0.495 1.00 0.00 C ATOM 461 C ARG A 33 1.995 -2.582 1.070 1.00 0.00 C ATOM 462 O ARG A 33 1.646 -2.428 2.241 1.00 0.00 O ATOM 463 CB ARG A 33 4.368 -1.882 1.441 1.00 0.00 C ATOM 464 CG ARG A 33 5.232 -3.112 1.218 1.00 0.00 C ATOM 465 CD ARG A 33 6.477 -3.084 2.091 1.00 0.00 C ATOM 466 NE ARG A 33 7.407 -4.157 1.753 1.00 0.00 N ATOM 467 CZ ARG A 33 8.651 -4.226 2.216 1.00 0.00 C ATOM 468 NH1 ARG A 33 9.110 -3.288 3.033 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.437 -5.234 1.862 1.00 0.00 N ATOM 0 H ARG A 33 2.607 0.126 1.121 1.00 0.00 H new ATOM 0 HA ARG A 33 3.441 -2.232 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.982 -0.990 1.318 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.009 -1.883 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.653 -4.009 1.437 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.523 -3.168 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.977 -2.122 1.978 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.187 -3.172 3.138 1.00 0.00 H new ATOM 0 HE ARG A 33 7.084 -4.895 1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.508 -2.512 3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.065 -3.343 3.387 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.087 -5.957 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.391 -5.286 2.218 1.00 0.00 H new ATOM 483 N VAL A 34 1.390 -3.424 0.240 1.00 0.00 N ATOM 484 CA VAL A 34 0.256 -4.235 0.665 1.00 0.00 C ATOM 485 C VAL A 34 0.686 -5.296 1.672 1.00 0.00 C ATOM 486 O VAL A 34 1.486 -6.179 1.357 1.00 0.00 O ATOM 487 CB VAL A 34 -0.423 -4.925 -0.533 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.304 -6.072 -0.061 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.229 -3.919 -1.340 1.00 0.00 C ATOM 0 H VAL A 34 1.666 -3.563 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.457 -3.558 1.136 1.00 0.00 H new ATOM 0 HB VAL A 34 0.352 -5.337 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.775 -6.547 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.695 -6.804 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.074 -5.688 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.702 -4.424 -2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.996 -3.475 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.567 -3.136 -1.711 1.00 0.00 H new ATOM 499 N LEU A 35 0.150 -5.206 2.884 1.00 0.00 N ATOM 500 CA LEU A 35 0.478 -6.159 3.939 1.00 0.00 C ATOM 501 C LEU A 35 -0.593 -7.239 4.049 1.00 0.00 C ATOM 502 O LEU A 35 -0.360 -8.397 3.706 1.00 0.00 O ATOM 503 CB LEU A 35 0.630 -5.436 5.278 1.00 0.00 C ATOM 504 CG LEU A 35 1.170 -4.007 5.212 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.617 -3.173 6.357 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.692 -4.011 5.239 1.00 0.00 C ATOM 0 H LEU A 35 -0.514 -4.483 3.161 1.00 0.00 H new ATOM 0 HA LEU A 35 1.424 -6.636 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.343 -5.413 5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.293 -6.024 5.913 1.00 0.00 H new ATOM 0 HG LEU A 35 0.844 -3.559 4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.013 -2.159 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.471 -3.143 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.912 -3.618 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.059 -2.986 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.038 -4.478 6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.070 -4.572 4.384 1.00 0.00 H new ATOM 518 N GLY A 36 -1.771 -6.850 4.529 1.00 0.00 N ATOM 519 CA GLY A 36 -2.862 -7.796 4.674 1.00 0.00 C ATOM 520 C GLY A 36 -3.925 -7.623 3.608 1.00 0.00 C ATOM 521 O GLY A 36 -3.882 -6.673 2.825 1.00 0.00 O ATOM 0 H GLY A 36 -1.989 -5.897 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.467 -8.811 4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.315 -7.675 5.658 1.00 0.00 H new ATOM 525 N LYS A 37 -4.883 -8.544 3.574 1.00 0.00 N ATOM 526 CA LYS A 37 -5.963 -8.490 2.596 1.00 0.00 C ATOM 527 C LYS A 37 -7.321 -8.428 3.287 1.00 0.00 C ATOM 528 O LYS A 37 -7.789 -9.420 3.845 1.00 0.00 O ATOM 529 CB LYS A 37 -5.903 -9.709 1.673 1.00 0.00 C ATOM 530 CG LYS A 37 -7.114 -9.845 0.766 1.00 0.00 C ATOM 531 CD LYS A 37 -7.271 -11.267 0.255 1.00 0.00 C ATOM 532 CE LYS A 37 -8.664 -11.508 -0.306 1.00 0.00 C ATOM 533 NZ LYS A 37 -9.673 -11.688 0.774 1.00 0.00 N ATOM 0 H LYS A 37 -4.933 -9.337 4.213 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.837 -7.585 2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.005 -9.645 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.811 -10.610 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.012 -9.552 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.016 -9.163 -0.078 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.528 -11.461 -0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.078 -11.969 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.952 -10.667 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.651 -12.393 -0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.623 -11.496 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.632 -12.665 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.470 -11.029 1.552 1.00 0.00 H new ATOM 547 N TYR A 38 -7.948 -7.258 3.245 1.00 0.00 N ATOM 548 CA TYR A 38 -9.252 -7.067 3.869 1.00 0.00 C ATOM 549 C TYR A 38 -10.298 -7.980 3.236 1.00 0.00 C ATOM 550 O TYR A 38 -10.882 -8.831 3.907 1.00 0.00 O ATOM 551 CB TYR A 38 -9.692 -5.607 3.745 1.00 0.00 C ATOM 552 CG TYR A 38 -10.654 -5.170 4.826 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.278 -5.183 6.164 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.938 -4.746 4.511 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.153 -4.785 7.155 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.820 -4.345 5.496 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.423 -4.367 6.816 1.00 0.00 C ATOM 558 OH TYR A 38 -13.299 -3.969 7.801 1.00 0.00 O ATOM 0 H TYR A 38 -7.575 -6.427 2.785 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.162 -7.324 4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.810 -4.967 3.775 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.161 -5.459 2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.284 -5.510 6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.253 -4.729 3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.845 -4.801 8.190 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.815 -4.016 5.233 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.150 -3.704 7.394 1.00 0.00 H new ATOM 568 N GLN A 39 -10.526 -7.797 1.939 1.00 0.00 N ATOM 569 CA GLN A 39 -11.501 -8.604 1.215 1.00 0.00 C ATOM 570 C GLN A 39 -11.480 -8.276 -0.274 1.00 0.00 C ATOM 571 O GLN A 39 -10.724 -7.412 -0.719 1.00 0.00 O ATOM 572 CB GLN A 39 -12.904 -8.376 1.780 1.00 0.00 C ATOM 573 CG GLN A 39 -13.366 -6.930 1.696 1.00 0.00 C ATOM 574 CD GLN A 39 -14.687 -6.698 2.403 1.00 0.00 C ATOM 575 OE1 GLN A 39 -15.756 -6.945 1.844 1.00 0.00 O ATOM 576 NE2 GLN A 39 -14.620 -6.220 3.640 1.00 0.00 N ATOM 0 H GLN A 39 -10.049 -7.098 1.369 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.233 -9.653 1.341 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.611 -9.006 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.923 -8.695 2.822 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.605 -6.283 2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.463 -6.644 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.712 -6.030 4.065 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.476 -6.043 4.166 1.00 0.00 H new ATOM 585 N ASP A 40 -12.314 -8.971 -1.040 1.00 0.00 N ATOM 586 CA ASP A 40 -12.391 -8.753 -2.480 1.00 0.00 C ATOM 587 C ASP A 40 -12.747 -7.303 -2.791 1.00 0.00 C ATOM 588 O ASP A 40 -13.904 -6.899 -2.680 1.00 0.00 O ATOM 589 CB ASP A 40 -13.426 -9.691 -3.104 1.00 0.00 C ATOM 590 CG ASP A 40 -12.940 -11.125 -3.174 1.00 0.00 C ATOM 591 OD1 ASP A 40 -12.108 -11.428 -4.054 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.392 -11.945 -2.348 1.00 0.00 O ATOM 0 H ASP A 40 -12.946 -9.690 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.412 -8.968 -2.909 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.347 -9.650 -2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.669 -9.343 -4.108 1.00 0.00 H new ATOM 597 N GLY A 41 -11.744 -6.523 -3.181 1.00 0.00 N ATOM 598 CA GLY A 41 -11.971 -5.126 -3.501 1.00 0.00 C ATOM 599 C GLY A 41 -11.284 -4.189 -2.528 1.00 0.00 C ATOM 600 O GLY A 41 -11.066 -3.016 -2.834 1.00 0.00 O ATOM 0 H GLY A 41 -10.778 -6.834 -3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.611 -4.925 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.042 -4.925 -3.499 1.00 0.00 H new ATOM 604 N TRP A 42 -10.942 -4.705 -1.353 1.00 0.00 N ATOM 605 CA TRP A 42 -10.277 -3.905 -0.331 1.00 0.00 C ATOM 606 C TRP A 42 -9.043 -4.623 0.205 1.00 0.00 C ATOM 607 O TRP A 42 -9.091 -5.816 0.509 1.00 0.00 O ATOM 608 CB TRP A 42 -11.243 -3.599 0.815 1.00 0.00 C ATOM 609 CG TRP A 42 -12.379 -2.709 0.412 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.638 -3.098 0.054 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.359 -1.280 0.325 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.402 -1.997 -0.251 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.641 -0.870 -0.092 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.384 -0.307 0.559 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.969 0.470 -0.279 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.711 1.023 0.373 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.995 1.402 -0.042 1.00 0.00 C ATOM 0 H TRP A 42 -11.114 -5.674 -1.084 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.959 -2.968 -0.788 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.644 -4.536 1.202 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.692 -3.127 1.629 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.983 -4.121 0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.378 -2.016 -0.548 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.392 -0.589 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.957 0.764 -0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.965 1.783 0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.220 2.450 -0.177 1.00 0.00 H new ATOM 628 N LEU A 43 -7.941 -3.891 0.319 1.00 0.00 N ATOM 629 CA LEU A 43 -6.694 -4.459 0.819 1.00 0.00 C ATOM 630 C LEU A 43 -6.052 -3.539 1.852 1.00 0.00 C ATOM 631 O LEU A 43 -6.379 -2.355 1.933 1.00 0.00 O ATOM 632 CB LEU A 43 -5.722 -4.703 -0.337 1.00 0.00 C ATOM 633 CG LEU A 43 -6.334 -5.258 -1.623 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.369 -5.097 -2.787 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.717 -6.720 -1.444 1.00 0.00 C ATOM 0 H LEU A 43 -7.885 -2.903 0.072 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.924 -5.410 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.225 -3.762 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.951 -5.395 0.003 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.238 -4.691 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.822 -5.498 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.145 -4.040 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.447 -5.638 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.151 -7.098 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.829 -7.301 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.446 -6.809 -0.638 1.00 0.00 H new ATOM 647 N LYS A 44 -5.135 -4.091 2.640 1.00 0.00 N ATOM 648 CA LYS A 44 -4.444 -3.320 3.667 1.00 0.00 C ATOM 649 C LYS A 44 -2.965 -3.167 3.329 1.00 0.00 C ATOM 650 O LYS A 44 -2.259 -4.154 3.127 1.00 0.00 O ATOM 651 CB LYS A 44 -4.599 -3.995 5.032 1.00 0.00 C ATOM 652 CG LYS A 44 -3.705 -3.403 6.108 1.00 0.00 C ATOM 653 CD LYS A 44 -4.045 -3.957 7.481 1.00 0.00 C ATOM 654 CE LYS A 44 -3.641 -2.993 8.586 1.00 0.00 C ATOM 655 NZ LYS A 44 -3.924 -3.550 9.938 1.00 0.00 N ATOM 0 H LYS A 44 -4.853 -5.070 2.587 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.894 -2.328 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.638 -3.916 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.376 -5.057 4.930 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.662 -3.619 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.812 -2.318 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.116 -4.153 7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.538 -4.911 7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.578 -2.768 8.501 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.177 -2.052 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.635 -2.864 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.942 -3.741 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.393 -4.435 10.067 1.00 0.00 H new ATOM 669 N GLY A 45 -2.501 -1.922 3.270 1.00 0.00 N ATOM 670 CA GLY A 45 -1.108 -1.663 2.957 1.00 0.00 C ATOM 671 C GLY A 45 -0.572 -0.437 3.668 1.00 0.00 C ATOM 672 O GLY A 45 -1.341 0.381 4.176 1.00 0.00 O ATOM 0 H GLY A 45 -3.065 -1.088 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.509 -2.531 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.999 -1.531 1.880 1.00 0.00 H new ATOM 676 N LEU A 46 0.750 -0.308 3.707 1.00 0.00 N ATOM 677 CA LEU A 46 1.388 0.828 4.364 1.00 0.00 C ATOM 678 C LEU A 46 2.007 1.772 3.338 1.00 0.00 C ATOM 679 O LEU A 46 2.920 1.395 2.604 1.00 0.00 O ATOM 680 CB LEU A 46 2.462 0.341 5.339 1.00 0.00 C ATOM 681 CG LEU A 46 3.461 1.395 5.818 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.468 1.713 4.723 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.734 2.657 6.259 1.00 0.00 C ATOM 0 H LEU A 46 1.400 -0.975 3.292 1.00 0.00 H new ATOM 0 HA LEU A 46 0.624 1.373 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.966 -0.084 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.017 -0.467 4.863 1.00 0.00 H new ATOM 0 HG LEU A 46 4.002 0.993 6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.171 2.465 5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.012 0.807 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.944 2.095 3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.460 3.396 6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.167 3.062 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.053 2.418 7.076 1.00 0.00 H new ATOM 695 N SER A 47 1.505 3.002 3.295 1.00 0.00 N ATOM 696 CA SER A 47 2.007 4.000 2.358 1.00 0.00 C ATOM 697 C SER A 47 3.484 4.287 2.610 1.00 0.00 C ATOM 698 O SER A 47 3.850 4.875 3.628 1.00 0.00 O ATOM 699 CB SER A 47 1.198 5.294 2.476 1.00 0.00 C ATOM 700 OG SER A 47 1.261 6.046 1.276 1.00 0.00 O ATOM 0 H SER A 47 0.751 3.331 3.898 1.00 0.00 H new ATOM 0 HA SER A 47 1.898 3.602 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.159 5.057 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.580 5.891 3.304 1.00 0.00 H new ATOM 0 HG SER A 47 1.238 7.003 1.488 1.00 0.00 H new ATOM 706 N LEU A 48 4.329 3.867 1.674 1.00 0.00 N ATOM 707 CA LEU A 48 5.768 4.077 1.793 1.00 0.00 C ATOM 708 C LEU A 48 6.110 5.561 1.702 1.00 0.00 C ATOM 709 O LEU A 48 7.247 5.963 1.952 1.00 0.00 O ATOM 710 CB LEU A 48 6.508 3.303 0.701 1.00 0.00 C ATOM 711 CG LEU A 48 6.173 1.816 0.589 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.420 1.318 -0.827 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.989 1.009 1.589 1.00 0.00 C ATOM 0 H LEU A 48 4.043 3.379 0.825 1.00 0.00 H new ATOM 0 HA LEU A 48 6.085 3.709 2.769 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.297 3.776 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.579 3.402 0.876 1.00 0.00 H new ATOM 0 HG LEU A 48 5.116 1.683 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.176 0.257 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.793 1.875 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.468 1.464 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.738 -0.047 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.051 1.148 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.763 1.347 2.600 1.00 0.00 H new ATOM 725 N LEU A 49 5.120 6.371 1.344 1.00 0.00 N ATOM 726 CA LEU A 49 5.315 7.811 1.222 1.00 0.00 C ATOM 727 C LEU A 49 5.004 8.516 2.539 1.00 0.00 C ATOM 728 O LEU A 49 5.902 9.028 3.209 1.00 0.00 O ATOM 729 CB LEU A 49 4.430 8.373 0.108 1.00 0.00 C ATOM 730 CG LEU A 49 4.458 9.892 -0.070 1.00 0.00 C ATOM 731 CD1 LEU A 49 4.122 10.267 -1.505 1.00 0.00 C ATOM 732 CD2 LEU A 49 3.493 10.560 0.898 1.00 0.00 C ATOM 0 H LEU A 49 4.174 6.055 1.133 1.00 0.00 H new ATOM 0 HA LEU A 49 6.361 7.991 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.728 7.911 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.401 8.069 0.300 1.00 0.00 H new ATOM 0 HG LEU A 49 5.465 10.246 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.147 11.351 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.852 9.819 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.126 9.900 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.526 11.640 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.481 10.200 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.779 10.319 1.922 1.00 0.00 H new ATOM 744 N THR A 50 3.727 8.538 2.905 1.00 0.00 N ATOM 745 CA THR A 50 3.297 9.178 4.142 1.00 0.00 C ATOM 746 C THR A 50 3.686 8.344 5.357 1.00 0.00 C ATOM 747 O THR A 50 4.151 8.876 6.364 1.00 0.00 O ATOM 748 CB THR A 50 1.774 9.407 4.156 1.00 0.00 C ATOM 749 OG1 THR A 50 1.100 8.252 3.646 1.00 0.00 O ATOM 750 CG2 THR A 50 1.402 10.626 3.325 1.00 0.00 C ATOM 0 H THR A 50 2.972 8.120 2.362 1.00 0.00 H new ATOM 0 HA THR A 50 3.802 10.143 4.191 1.00 0.00 H new ATOM 0 HB THR A 50 1.465 9.582 5.187 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.132 8.405 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.322 10.767 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.893 11.509 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.725 10.476 2.295 1.00 0.00 H new ATOM 758 N GLY A 51 3.492 7.033 5.255 1.00 0.00 N ATOM 759 CA GLY A 51 3.828 6.146 6.354 1.00 0.00 C ATOM 760 C GLY A 51 2.613 5.739 7.163 1.00 0.00 C ATOM 761 O GLY A 51 2.733 5.361 8.329 1.00 0.00 O ATOM 0 H GLY A 51 3.108 6.569 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.314 5.253 5.961 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.547 6.639 7.008 1.00 0.00 H new ATOM 765 N ARG A 52 1.439 5.817 6.545 1.00 0.00 N ATOM 766 CA ARG A 52 0.197 5.456 7.217 1.00 0.00 C ATOM 767 C ARG A 52 -0.303 4.095 6.742 1.00 0.00 C ATOM 768 O ARG A 52 -0.071 3.700 5.598 1.00 0.00 O ATOM 769 CB ARG A 52 -0.873 6.521 6.964 1.00 0.00 C ATOM 770 CG ARG A 52 -0.412 7.934 7.282 1.00 0.00 C ATOM 771 CD ARG A 52 0.019 8.066 8.734 1.00 0.00 C ATOM 772 NE ARG A 52 -1.117 8.003 9.650 1.00 0.00 N ATOM 773 CZ ARG A 52 -0.993 7.962 10.972 1.00 0.00 C ATOM 774 NH1 ARG A 52 0.210 7.977 11.529 1.00 0.00 N ATOM 775 NH2 ARG A 52 -2.074 7.906 11.739 1.00 0.00 N ATOM 0 H ARG A 52 1.322 6.127 5.580 1.00 0.00 H new ATOM 0 HA ARG A 52 0.396 5.397 8.287 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.180 6.474 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.752 6.291 7.565 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.418 8.202 6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.220 8.636 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.725 7.271 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.544 9.011 8.872 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.056 7.990 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.043 8.020 10.942 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.302 7.945 12.544 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.001 7.894 11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.978 7.875 12.754 1.00 0.00 H new ATOM 789 N THR A 53 -0.990 3.380 7.628 1.00 0.00 N ATOM 790 CA THR A 53 -1.520 2.063 7.300 1.00 0.00 C ATOM 791 C THR A 53 -3.043 2.048 7.378 1.00 0.00 C ATOM 792 O THR A 53 -3.624 2.358 8.417 1.00 0.00 O ATOM 793 CB THR A 53 -0.959 0.981 8.242 1.00 0.00 C ATOM 794 OG1 THR A 53 0.443 1.188 8.446 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.194 -0.409 7.670 1.00 0.00 C ATOM 0 H THR A 53 -1.192 3.691 8.578 1.00 0.00 H new ATOM 0 HA THR A 53 -1.209 1.843 6.279 1.00 0.00 H new ATOM 0 HB THR A 53 -1.479 1.056 9.197 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.792 0.497 9.047 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.789 -1.156 8.352 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.264 -0.574 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.697 -0.493 6.703 1.00 0.00 H new ATOM 803 N GLY A 54 -3.684 1.686 6.271 1.00 0.00 N ATOM 804 CA GLY A 54 -5.134 1.637 6.236 1.00 0.00 C ATOM 805 C GLY A 54 -5.658 0.724 5.145 1.00 0.00 C ATOM 806 O GLY A 54 -4.884 0.035 4.480 1.00 0.00 O ATOM 0 H GLY A 54 -3.225 1.426 5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.506 1.295 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.525 2.643 6.082 1.00 0.00 H new ATOM 810 N ILE A 55 -6.974 0.718 4.962 1.00 0.00 N ATOM 811 CA ILE A 55 -7.599 -0.117 3.945 1.00 0.00 C ATOM 812 C ILE A 55 -7.954 0.697 2.706 1.00 0.00 C ATOM 813 O ILE A 55 -8.701 1.673 2.784 1.00 0.00 O ATOM 814 CB ILE A 55 -8.873 -0.798 4.480 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.763 0.224 5.191 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.509 -1.937 5.420 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.128 -0.315 5.555 1.00 0.00 C ATOM 0 H ILE A 55 -7.628 1.282 5.505 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.872 -0.884 3.677 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.428 -1.211 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.261 0.563 6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.885 1.097 4.549 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.419 -2.409 5.790 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.911 -2.674 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.936 -1.546 6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.705 0.463 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.649 -0.627 4.650 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.016 -1.170 6.222 1.00 0.00 H new ATOM 829 N PHE A 56 -7.414 0.290 1.562 1.00 0.00 N ATOM 830 CA PHE A 56 -7.674 0.982 0.304 1.00 0.00 C ATOM 831 C PHE A 56 -8.222 0.017 -0.744 1.00 0.00 C ATOM 832 O PHE A 56 -8.003 -1.193 -0.686 1.00 0.00 O ATOM 833 CB PHE A 56 -6.394 1.641 -0.213 1.00 0.00 C ATOM 834 CG PHE A 56 -5.184 0.756 -0.122 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.011 -0.295 -1.008 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.220 0.976 0.849 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.898 -1.112 -0.927 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.106 0.163 0.934 1.00 0.00 C ATOM 839 CZ PHE A 56 -2.945 -0.883 0.046 1.00 0.00 C ATOM 0 H PHE A 56 -6.794 -0.515 1.480 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.422 1.753 0.489 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.541 1.936 -1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.210 2.553 0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.754 -0.478 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.341 1.792 1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.774 -1.928 -1.624 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.361 0.345 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.076 -1.520 0.113 1.00 0.00 H new ATOM 849 N PRO A 57 -8.954 0.565 -1.725 1.00 0.00 N ATOM 850 CA PRO A 57 -9.549 -0.228 -2.805 1.00 0.00 C ATOM 851 C PRO A 57 -8.500 -0.782 -3.763 1.00 0.00 C ATOM 852 O PRO A 57 -7.621 -0.055 -4.225 1.00 0.00 O ATOM 853 CB PRO A 57 -10.453 0.776 -3.525 1.00 0.00 C ATOM 854 CG PRO A 57 -9.849 2.106 -3.235 1.00 0.00 C ATOM 855 CD PRO A 57 -9.256 2.000 -1.857 1.00 0.00 C ATOM 0 HA PRO A 57 -10.077 -1.103 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.486 0.581 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.478 0.719 -3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.085 2.356 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.601 2.894 -3.277 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.358 2.610 -1.758 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.956 2.335 -1.092 1.00 0.00 H new ATOM 863 N SER A 58 -8.600 -2.075 -4.058 1.00 0.00 N ATOM 864 CA SER A 58 -7.657 -2.728 -4.959 1.00 0.00 C ATOM 865 C SER A 58 -7.663 -2.058 -6.330 1.00 0.00 C ATOM 866 O SER A 58 -6.648 -2.038 -7.027 1.00 0.00 O ATOM 867 CB SER A 58 -8.001 -4.212 -5.103 1.00 0.00 C ATOM 868 OG SER A 58 -9.177 -4.390 -5.873 1.00 0.00 O ATOM 0 H SER A 58 -9.324 -2.690 -3.686 1.00 0.00 H new ATOM 0 HA SER A 58 -6.659 -2.633 -4.532 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.171 -4.737 -5.575 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.138 -4.654 -4.116 1.00 0.00 H new ATOM 0 HG SER A 58 -9.375 -5.347 -5.952 1.00 0.00 H new ATOM 874 N ASP A 59 -8.812 -1.511 -6.709 1.00 0.00 N ATOM 875 CA ASP A 59 -8.951 -0.838 -7.996 1.00 0.00 C ATOM 876 C ASP A 59 -8.025 0.371 -8.080 1.00 0.00 C ATOM 877 O ASP A 59 -7.626 0.785 -9.169 1.00 0.00 O ATOM 878 CB ASP A 59 -10.401 -0.402 -8.213 1.00 0.00 C ATOM 879 CG ASP A 59 -11.247 -1.494 -8.836 1.00 0.00 C ATOM 880 OD1 ASP A 59 -11.069 -2.671 -8.458 1.00 0.00 O ATOM 881 OD2 ASP A 59 -12.088 -1.173 -9.702 1.00 0.00 O ATOM 0 H ASP A 59 -9.661 -1.520 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.670 -1.542 -8.779 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.836 -0.110 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.420 0.479 -8.855 1.00 0.00 H new ATOM 886 N TYR A 60 -7.687 0.932 -6.925 1.00 0.00 N ATOM 887 CA TYR A 60 -6.810 2.096 -6.868 1.00 0.00 C ATOM 888 C TYR A 60 -5.344 1.677 -6.919 1.00 0.00 C ATOM 889 O TYR A 60 -4.473 2.464 -7.288 1.00 0.00 O ATOM 890 CB TYR A 60 -7.078 2.901 -5.596 1.00 0.00 C ATOM 891 CG TYR A 60 -8.275 3.819 -5.701 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.520 3.330 -6.073 1.00 0.00 C ATOM 893 CD2 TYR A 60 -8.160 5.176 -5.426 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.616 4.165 -6.171 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.251 6.019 -5.520 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.476 5.509 -5.894 1.00 0.00 C ATOM 897 OH TYR A 60 -11.566 6.344 -5.989 1.00 0.00 O ATOM 0 H TYR A 60 -8.007 0.600 -6.015 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.021 2.720 -7.736 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.231 2.212 -4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.195 3.495 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.634 2.278 -6.290 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.202 5.579 -5.134 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.577 3.768 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.145 7.071 -5.302 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.298 7.259 -5.760 1.00 0.00 H new ATOM 907 N VAL A 61 -5.079 0.429 -6.546 1.00 0.00 N ATOM 908 CA VAL A 61 -3.720 -0.098 -6.550 1.00 0.00 C ATOM 909 C VAL A 61 -3.540 -1.147 -7.642 1.00 0.00 C ATOM 910 O VAL A 61 -4.376 -2.035 -7.807 1.00 0.00 O ATOM 911 CB VAL A 61 -3.356 -0.722 -5.189 1.00 0.00 C ATOM 912 CG1 VAL A 61 -2.993 0.361 -4.185 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.502 -1.578 -4.672 1.00 0.00 C ATOM 0 H VAL A 61 -5.788 -0.236 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.055 0.743 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.486 -1.364 -5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.739 -0.099 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.138 0.927 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.842 1.032 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.228 -2.011 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.392 -0.960 -4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.709 -2.377 -5.384 1.00 0.00 H new ATOM 923 N ILE A 62 -2.443 -1.038 -8.384 1.00 0.00 N ATOM 924 CA ILE A 62 -2.153 -1.978 -9.459 1.00 0.00 C ATOM 925 C ILE A 62 -0.880 -2.766 -9.171 1.00 0.00 C ATOM 926 O ILE A 62 0.132 -2.220 -8.731 1.00 0.00 O ATOM 927 CB ILE A 62 -2.002 -1.257 -10.812 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.335 -2.209 -11.962 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.591 -0.707 -10.964 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.396 -1.528 -13.312 1.00 0.00 C ATOM 0 H ILE A 62 -1.741 -0.308 -8.260 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.998 -2.664 -9.515 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.702 -0.422 -10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.586 -3.000 -11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.294 -2.687 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.500 -0.200 -11.925 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.388 0.000 -10.160 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.126 -1.527 -10.916 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.637 -2.263 -14.080 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.165 -0.756 -13.295 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.430 -1.074 -13.534 1.00 0.00 H new ATOM 942 N PRO A 63 -0.928 -4.082 -9.426 1.00 0.00 N ATOM 943 CA PRO A 63 0.213 -4.975 -9.204 1.00 0.00 C ATOM 944 C PRO A 63 1.345 -4.725 -10.195 1.00 0.00 C ATOM 945 O PRO A 63 1.238 -5.063 -11.374 1.00 0.00 O ATOM 946 CB PRO A 63 -0.381 -6.370 -9.411 1.00 0.00 C ATOM 947 CG PRO A 63 -1.551 -6.154 -10.308 1.00 0.00 C ATOM 948 CD PRO A 63 -2.102 -4.801 -9.951 1.00 0.00 C ATOM 0 HA PRO A 63 0.659 -4.830 -8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.345 -7.046 -9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.685 -6.815 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.252 -6.189 -11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.302 -6.931 -10.165 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.526 -4.298 -10.820 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.895 -4.874 -9.206 1.00 0.00 H new ATOM 956 N VAL A 64 2.431 -4.132 -9.709 1.00 0.00 N ATOM 957 CA VAL A 64 3.584 -3.838 -10.551 1.00 0.00 C ATOM 958 C VAL A 64 4.373 -5.105 -10.864 1.00 0.00 C ATOM 959 O VAL A 64 4.169 -6.145 -10.239 1.00 0.00 O ATOM 960 CB VAL A 64 4.522 -2.815 -9.884 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.836 -1.463 -9.761 1.00 0.00 C ATOM 962 CG2 VAL A 64 4.974 -3.318 -8.521 1.00 0.00 C ATOM 0 H VAL A 64 2.536 -3.846 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 64 3.198 -3.414 -11.478 1.00 0.00 H new ATOM 0 HB VAL A 64 5.404 -2.692 -10.512 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.514 -0.753 -9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.566 -1.101 -10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.936 -1.565 -9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.636 -2.583 -8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.104 -3.470 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.506 -4.262 -8.640 1.00 0.00 H new ATOM 972 N SER A 65 5.274 -5.009 -11.836 1.00 0.00 N ATOM 973 CA SER A 65 6.092 -6.149 -12.235 1.00 0.00 C ATOM 974 C SER A 65 7.522 -5.712 -12.539 1.00 0.00 C ATOM 975 O SER A 65 7.804 -4.522 -12.672 1.00 0.00 O ATOM 976 CB SER A 65 5.485 -6.835 -13.460 1.00 0.00 C ATOM 977 OG SER A 65 5.653 -6.043 -14.624 1.00 0.00 O ATOM 0 H SER A 65 5.456 -4.154 -12.362 1.00 0.00 H new ATOM 0 HA SER A 65 6.115 -6.856 -11.406 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.956 -7.807 -13.607 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.424 -7.017 -13.290 1.00 0.00 H new ATOM 0 HG SER A 65 5.258 -6.504 -15.393 1.00 0.00 H new ATOM 983 N GLY A 66 8.421 -6.685 -12.647 1.00 0.00 N ATOM 984 CA GLY A 66 9.811 -6.382 -12.934 1.00 0.00 C ATOM 985 C GLY A 66 10.701 -7.606 -12.848 1.00 0.00 C ATOM 986 O GLY A 66 10.228 -8.738 -12.749 1.00 0.00 O ATOM 0 H GLY A 66 8.212 -7.678 -12.541 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.887 -5.951 -13.932 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.167 -5.627 -12.233 1.00 0.00 H new ATOM 990 N PRO A 67 12.024 -7.385 -12.890 1.00 0.00 N ATOM 991 CA PRO A 67 13.010 -8.467 -12.819 1.00 0.00 C ATOM 992 C PRO A 67 13.062 -9.114 -11.439 1.00 0.00 C ATOM 993 O PRO A 67 13.795 -10.079 -11.223 1.00 0.00 O ATOM 994 CB PRO A 67 14.333 -7.762 -13.129 1.00 0.00 C ATOM 995 CG PRO A 67 14.109 -6.344 -12.732 1.00 0.00 C ATOM 996 CD PRO A 67 12.658 -6.061 -13.008 1.00 0.00 C ATOM 0 HA PRO A 67 12.773 -9.280 -13.505 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.158 -8.204 -12.570 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.586 -7.842 -14.186 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.343 -6.192 -11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.753 -5.673 -13.301 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.244 -5.352 -12.292 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.514 -5.633 -14.000 1.00 0.00 H new ATOM 1004 N SER A 68 12.279 -8.578 -10.509 1.00 0.00 N ATOM 1005 CA SER A 68 12.238 -9.102 -9.148 1.00 0.00 C ATOM 1006 C SER A 68 12.268 -10.627 -9.153 1.00 0.00 C ATOM 1007 O SER A 68 13.089 -11.245 -8.475 1.00 0.00 O ATOM 1008 CB SER A 68 10.984 -8.606 -8.426 1.00 0.00 C ATOM 1009 OG SER A 68 11.072 -7.221 -8.143 1.00 0.00 O ATOM 0 H SER A 68 11.664 -7.781 -10.672 1.00 0.00 H new ATOM 0 HA SER A 68 13.119 -8.741 -8.618 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.106 -8.799 -9.042 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.851 -9.162 -7.498 1.00 0.00 H new ATOM 0 HG SER A 68 10.258 -6.929 -7.683 1.00 0.00 H new ATOM 1015 N SER A 69 11.366 -11.228 -9.922 1.00 0.00 N ATOM 1016 CA SER A 69 11.285 -12.681 -10.013 1.00 0.00 C ATOM 1017 C SER A 69 12.530 -13.254 -10.682 1.00 0.00 C ATOM 1018 O SER A 69 13.255 -12.546 -11.380 1.00 0.00 O ATOM 1019 CB SER A 69 10.036 -13.096 -10.793 1.00 0.00 C ATOM 1020 OG SER A 69 10.237 -12.957 -12.189 1.00 0.00 O ATOM 0 H SER A 69 10.681 -10.731 -10.491 1.00 0.00 H new ATOM 0 HA SER A 69 11.222 -13.080 -9.001 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.785 -14.131 -10.560 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.189 -12.485 -10.482 1.00 0.00 H new ATOM 0 HG SER A 69 9.425 -13.230 -12.665 1.00 0.00 H new ATOM 1026 N GLY A 70 12.772 -14.543 -10.463 1.00 0.00 N ATOM 1027 CA GLY A 70 13.930 -15.191 -11.051 1.00 0.00 C ATOM 1028 C GLY A 70 13.740 -15.490 -12.525 1.00 0.00 C ATOM 1029 O GLY A 70 14.463 -14.962 -13.371 1.00 0.00 O ATOM 0 H GLY A 70 12.187 -15.150 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.804 -14.553 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.133 -16.120 -10.518 1.00 0.00 H new TER 1033 GLY A 70