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 159:sc= -0.576 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= -0.0225 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= -3.36! K(o=-3.4!,f=-1.4) USER MOD Single : A 9 MET CE :methyl 174:sc= -4.49! (180deg=-4.63!) USER MOD Single : A 14 HIS : no HD1:sc= -1.88! C(o=-1.9!,f=-2.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -116:sc= -1.46! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.9!) USER MOD Single : A 27 GLN : amide:sc= -3.15 K(o=-3.1,f=-6!) 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= -0.649 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 22.008 -4.639 0.479 1.00 0.00 N ATOM 2 CA GLY A 1 20.748 -5.277 0.146 1.00 0.00 C ATOM 3 C GLY A 1 19.793 -5.321 1.322 1.00 0.00 C ATOM 4 O GLY A 1 20.063 -5.979 2.326 1.00 0.00 O ATOM 0 H1 GLY A 1 22.626 -4.634 -0.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.832 -3.661 0.785 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.471 -5.165 1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.279 -4.741 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.939 -6.292 -0.202 1.00 0.00 H new ATOM 8 N SER A 2 18.672 -4.617 1.199 1.00 0.00 N ATOM 9 CA SER A 2 17.675 -4.574 2.263 1.00 0.00 C ATOM 10 C SER A 2 17.025 -5.941 2.454 1.00 0.00 C ATOM 11 O SER A 2 17.041 -6.779 1.552 1.00 0.00 O ATOM 12 CB SER A 2 16.605 -3.527 1.946 1.00 0.00 C ATOM 13 OG SER A 2 17.006 -2.240 2.382 1.00 0.00 O ATOM 0 H SER A 2 18.431 -4.069 0.373 1.00 0.00 H new ATOM 0 HA SER A 2 18.179 -4.299 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.417 -3.508 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.668 -3.802 2.429 1.00 0.00 H new ATOM 0 HG SER A 2 16.306 -1.589 2.166 1.00 0.00 H new ATOM 19 N SER A 3 16.454 -6.158 3.634 1.00 0.00 N ATOM 20 CA SER A 3 15.802 -7.424 3.946 1.00 0.00 C ATOM 21 C SER A 3 14.307 -7.353 3.648 1.00 0.00 C ATOM 22 O SER A 3 13.526 -6.848 4.453 1.00 0.00 O ATOM 23 CB SER A 3 16.024 -7.788 5.416 1.00 0.00 C ATOM 24 OG SER A 3 15.463 -9.054 5.718 1.00 0.00 O ATOM 0 H SER A 3 16.430 -5.473 4.390 1.00 0.00 H new ATOM 0 HA SER A 3 16.244 -8.197 3.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.092 -7.799 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.576 -7.026 6.054 1.00 0.00 H new ATOM 0 HG SER A 3 15.619 -9.264 6.662 1.00 0.00 H new ATOM 30 N GLY A 4 13.918 -7.863 2.484 1.00 0.00 N ATOM 31 CA GLY A 4 12.519 -7.848 2.099 1.00 0.00 C ATOM 32 C GLY A 4 12.227 -8.777 0.937 1.00 0.00 C ATOM 33 O GLY A 4 11.887 -8.327 -0.157 1.00 0.00 O ATOM 0 H GLY A 4 14.546 -8.286 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.907 -8.137 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.231 -6.832 1.829 1.00 0.00 H new ATOM 37 N SER A 5 12.362 -10.078 1.173 1.00 0.00 N ATOM 38 CA SER A 5 12.116 -11.073 0.136 1.00 0.00 C ATOM 39 C SER A 5 10.647 -11.079 -0.274 1.00 0.00 C ATOM 40 O SER A 5 9.759 -10.875 0.554 1.00 0.00 O ATOM 41 CB SER A 5 12.527 -12.463 0.625 1.00 0.00 C ATOM 42 OG SER A 5 13.894 -12.491 0.995 1.00 0.00 O ATOM 0 H SER A 5 12.640 -10.468 2.074 1.00 0.00 H new ATOM 0 HA SER A 5 12.717 -10.810 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.911 -12.749 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.345 -13.197 -0.160 1.00 0.00 H new ATOM 0 HG SER A 5 14.131 -13.390 1.305 1.00 0.00 H new ATOM 48 N SER A 6 10.398 -11.314 -1.558 1.00 0.00 N ATOM 49 CA SER A 6 9.036 -11.343 -2.080 1.00 0.00 C ATOM 50 C SER A 6 8.319 -10.026 -1.801 1.00 0.00 C ATOM 51 O SER A 6 7.129 -10.008 -1.488 1.00 0.00 O ATOM 52 CB SER A 6 8.255 -12.504 -1.461 1.00 0.00 C ATOM 53 OG SER A 6 8.412 -13.688 -2.224 1.00 0.00 O ATOM 0 H SER A 6 11.121 -11.487 -2.256 1.00 0.00 H new ATOM 0 HA SER A 6 9.090 -11.485 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.600 -12.676 -0.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.198 -12.244 -1.400 1.00 0.00 H new ATOM 0 HG SER A 6 7.905 -14.416 -1.807 1.00 0.00 H new ATOM 59 N GLY A 7 9.054 -8.923 -1.916 1.00 0.00 N ATOM 60 CA GLY A 7 8.472 -7.616 -1.672 1.00 0.00 C ATOM 61 C GLY A 7 7.237 -7.364 -2.514 1.00 0.00 C ATOM 62 O GLY A 7 7.089 -7.933 -3.595 1.00 0.00 O ATOM 0 H GLY A 7 10.041 -8.912 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.212 -7.529 -0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.214 -6.846 -1.882 1.00 0.00 H new ATOM 66 N ASN A 8 6.348 -6.511 -2.017 1.00 0.00 N ATOM 67 CA ASN A 8 5.118 -6.188 -2.731 1.00 0.00 C ATOM 68 C ASN A 8 4.983 -4.681 -2.927 1.00 0.00 C ATOM 69 O ASN A 8 4.828 -3.931 -1.963 1.00 0.00 O ATOM 70 CB ASN A 8 3.905 -6.725 -1.968 1.00 0.00 C ATOM 71 CG ASN A 8 4.126 -6.740 -0.468 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.581 -7.737 0.093 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.803 -5.632 0.189 1.00 0.00 N ATOM 0 H ASN A 8 6.456 -6.031 -1.123 1.00 0.00 H new ATOM 0 HA ASN A 8 5.161 -6.662 -3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.034 -6.112 -2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.682 -7.736 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.929 -5.584 1.200 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.429 -4.829 -0.317 1.00 0.00 H new ATOM 80 N MET A 9 5.042 -4.245 -4.181 1.00 0.00 N ATOM 81 CA MET A 9 4.925 -2.827 -4.503 1.00 0.00 C ATOM 82 C MET A 9 3.575 -2.526 -5.146 1.00 0.00 C ATOM 83 O MET A 9 3.112 -3.265 -6.015 1.00 0.00 O ATOM 84 CB MET A 9 6.056 -2.400 -5.440 1.00 0.00 C ATOM 85 CG MET A 9 7.367 -2.120 -4.722 1.00 0.00 C ATOM 86 SD MET A 9 7.534 -0.394 -4.230 1.00 0.00 S ATOM 87 CE MET A 9 5.867 -0.035 -3.681 1.00 0.00 C ATOM 0 H MET A 9 5.170 -4.852 -4.990 1.00 0.00 H new ATOM 0 HA MET A 9 5.000 -2.261 -3.574 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.217 -3.182 -6.182 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.750 -1.505 -5.982 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.435 -2.754 -3.838 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.198 -2.390 -5.373 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.834 0.964 -3.246 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.186 -0.084 -4.531 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.565 -0.767 -2.932 1.00 0.00 H new ATOM 97 N PHE A 10 2.948 -1.437 -4.714 1.00 0.00 N ATOM 98 CA PHE A 10 1.651 -1.039 -5.248 1.00 0.00 C ATOM 99 C PHE A 10 1.485 0.477 -5.200 1.00 0.00 C ATOM 100 O PHE A 10 1.581 1.091 -4.137 1.00 0.00 O ATOM 101 CB PHE A 10 0.524 -1.711 -4.460 1.00 0.00 C ATOM 102 CG PHE A 10 0.325 -3.157 -4.816 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.101 -4.142 -4.228 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.640 -3.531 -5.738 1.00 0.00 C ATOM 105 CE1 PHE A 10 0.920 -5.473 -4.554 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.826 -4.860 -6.067 1.00 0.00 C ATOM 107 CZ PHE A 10 -0.046 -5.833 -5.474 1.00 0.00 C ATOM 0 H PHE A 10 3.317 -0.814 -3.995 1.00 0.00 H new ATOM 0 HA PHE A 10 1.600 -1.360 -6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.740 -1.634 -3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.406 -1.170 -4.637 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.856 -3.867 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.254 -2.775 -6.205 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.533 -6.231 -4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.581 -5.138 -6.788 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.191 -6.873 -5.729 1.00 0.00 H new ATOM 117 N VAL A 11 1.236 1.076 -6.361 1.00 0.00 N ATOM 118 CA VAL A 11 1.056 2.520 -6.453 1.00 0.00 C ATOM 119 C VAL A 11 -0.415 2.900 -6.324 1.00 0.00 C ATOM 120 O VAL A 11 -1.299 2.058 -6.476 1.00 0.00 O ATOM 121 CB VAL A 11 1.602 3.069 -7.784 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.595 4.590 -7.777 1.00 0.00 C ATOM 123 CG2 VAL A 11 3.003 2.536 -8.046 1.00 0.00 C ATOM 0 H VAL A 11 1.154 0.583 -7.250 1.00 0.00 H new ATOM 0 HA VAL A 11 1.616 2.962 -5.629 1.00 0.00 H new ATOM 0 HB VAL A 11 0.952 2.730 -8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.984 4.960 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.575 4.949 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.221 4.953 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.373 2.934 -8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.666 2.844 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.974 1.448 -8.097 1.00 0.00 H new ATOM 133 N ALA A 12 -0.669 4.174 -6.043 1.00 0.00 N ATOM 134 CA ALA A 12 -2.032 4.666 -5.896 1.00 0.00 C ATOM 135 C ALA A 12 -2.522 5.320 -7.184 1.00 0.00 C ATOM 136 O ALA A 12 -3.555 4.936 -7.733 1.00 0.00 O ATOM 137 CB ALA A 12 -2.117 5.649 -4.738 1.00 0.00 C ATOM 0 H ALA A 12 0.052 4.884 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.678 3.814 -5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.141 6.008 -4.640 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.817 5.151 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.453 6.493 -4.927 1.00 0.00 H new ATOM 143 N LEU A 13 -1.774 6.309 -7.661 1.00 0.00 N ATOM 144 CA LEU A 13 -2.132 7.017 -8.885 1.00 0.00 C ATOM 145 C LEU A 13 -3.420 7.812 -8.698 1.00 0.00 C ATOM 146 O LEU A 13 -4.158 8.053 -9.653 1.00 0.00 O ATOM 147 CB LEU A 13 -2.293 6.028 -10.041 1.00 0.00 C ATOM 148 CG LEU A 13 -1.205 4.962 -10.169 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.566 3.730 -9.354 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.989 4.593 -11.630 1.00 0.00 C ATOM 0 H LEU A 13 -0.916 6.639 -7.219 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.328 7.714 -9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.254 5.526 -9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.332 6.592 -10.973 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.274 5.372 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.780 2.982 -9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.669 4.005 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.508 3.318 -9.715 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.211 3.833 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.917 4.203 -12.048 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.684 5.478 -12.188 1.00 0.00 H new ATOM 162 N HIS A 14 -3.684 8.218 -7.460 1.00 0.00 N ATOM 163 CA HIS A 14 -4.882 8.988 -7.147 1.00 0.00 C ATOM 164 C HIS A 14 -4.812 9.550 -5.730 1.00 0.00 C ATOM 165 O HIS A 14 -4.171 8.971 -4.852 1.00 0.00 O ATOM 166 CB HIS A 14 -6.129 8.118 -7.302 1.00 0.00 C ATOM 167 CG HIS A 14 -6.671 8.092 -8.698 1.00 0.00 C ATOM 168 ND1 HIS A 14 -6.929 9.234 -9.426 1.00 0.00 N ATOM 169 CD2 HIS A 14 -7.003 7.054 -9.500 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.398 8.899 -10.615 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.452 7.582 -10.686 1.00 0.00 N ATOM 0 H HIS A 14 -3.084 8.026 -6.657 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.941 9.821 -7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.892 7.100 -6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.903 8.483 -6.627 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.929 6.005 -9.253 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.688 9.586 -11.396 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.775 7.044 -11.490 1.00 0.00 H new ATOM 180 N THR A 15 -5.476 10.681 -5.513 1.00 0.00 N ATOM 181 CA THR A 15 -5.488 11.321 -4.204 1.00 0.00 C ATOM 182 C THR A 15 -6.747 10.958 -3.425 1.00 0.00 C ATOM 183 O THR A 15 -7.814 11.529 -3.651 1.00 0.00 O ATOM 184 CB THR A 15 -5.398 12.854 -4.327 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.403 13.211 -5.293 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.061 13.486 -2.985 1.00 0.00 C ATOM 0 H THR A 15 -6.013 11.173 -6.228 1.00 0.00 H new ATOM 0 HA THR A 15 -4.614 10.955 -3.666 1.00 0.00 H new ATOM 0 HB THR A 15 -6.369 13.228 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.353 14.187 -5.366 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.003 14.569 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.837 13.237 -2.261 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.102 13.106 -2.634 1.00 0.00 H new ATOM 194 N TYR A 16 -6.616 10.007 -2.508 1.00 0.00 N ATOM 195 CA TYR A 16 -7.744 9.566 -1.697 1.00 0.00 C ATOM 196 C TYR A 16 -7.644 10.118 -0.278 1.00 0.00 C ATOM 197 O TYR A 16 -6.722 9.785 0.466 1.00 0.00 O ATOM 198 CB TYR A 16 -7.806 8.038 -1.658 1.00 0.00 C ATOM 199 CG TYR A 16 -8.945 7.499 -0.823 1.00 0.00 C ATOM 200 CD1 TYR A 16 -10.197 7.274 -1.383 1.00 0.00 C ATOM 201 CD2 TYR A 16 -8.771 7.216 0.526 1.00 0.00 C ATOM 202 CE1 TYR A 16 -11.241 6.783 -0.624 1.00 0.00 C ATOM 203 CE2 TYR A 16 -9.809 6.722 1.292 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.042 6.508 0.713 1.00 0.00 C ATOM 205 OH TYR A 16 -12.079 6.018 1.473 1.00 0.00 O ATOM 0 H TYR A 16 -5.739 9.526 -2.307 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.657 9.948 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.903 7.661 -2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.865 7.655 -1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.356 7.487 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.808 7.385 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.208 6.615 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.656 6.505 2.339 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.307 6.666 2.172 1.00 0.00 H new ATOM 215 N SER A 17 -8.601 10.964 0.090 1.00 0.00 N ATOM 216 CA SER A 17 -8.620 11.567 1.418 1.00 0.00 C ATOM 217 C SER A 17 -9.344 10.664 2.413 1.00 0.00 C ATOM 218 O SER A 17 -10.573 10.651 2.475 1.00 0.00 O ATOM 219 CB SER A 17 -9.297 12.938 1.369 1.00 0.00 C ATOM 220 OG SER A 17 -8.744 13.743 0.343 1.00 0.00 O ATOM 0 H SER A 17 -9.373 11.247 -0.513 1.00 0.00 H new ATOM 0 HA SER A 17 -7.589 11.691 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.367 12.813 1.201 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.182 13.439 2.330 1.00 0.00 H new ATOM 0 HG SER A 17 -9.195 14.613 0.331 1.00 0.00 H new ATOM 226 N ALA A 18 -8.572 9.911 3.189 1.00 0.00 N ATOM 227 CA ALA A 18 -9.138 9.007 4.182 1.00 0.00 C ATOM 228 C ALA A 18 -10.354 9.628 4.860 1.00 0.00 C ATOM 229 O ALA A 18 -10.316 10.782 5.290 1.00 0.00 O ATOM 230 CB ALA A 18 -8.086 8.635 5.217 1.00 0.00 C ATOM 0 H ALA A 18 -7.553 9.909 3.149 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.464 8.102 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.522 7.959 5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.248 8.142 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.733 9.537 5.717 1.00 0.00 H new ATOM 236 N HIS A 19 -11.433 8.857 4.953 1.00 0.00 N ATOM 237 CA HIS A 19 -12.661 9.333 5.579 1.00 0.00 C ATOM 238 C HIS A 19 -12.853 8.696 6.952 1.00 0.00 C ATOM 239 O HIS A 19 -13.475 9.283 7.838 1.00 0.00 O ATOM 240 CB HIS A 19 -13.865 9.024 4.689 1.00 0.00 C ATOM 241 CG HIS A 19 -14.190 10.119 3.720 1.00 0.00 C ATOM 242 ND1 HIS A 19 -13.226 10.825 3.031 1.00 0.00 N ATOM 243 CD2 HIS A 19 -15.381 10.626 3.324 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.810 11.721 2.256 1.00 0.00 C ATOM 245 NE2 HIS A 19 -15.118 11.620 2.414 1.00 0.00 N ATOM 0 H HIS A 19 -11.482 7.900 4.603 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.580 10.412 5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.671 8.106 4.135 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.734 8.838 5.320 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -12.220 10.678 3.108 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -16.356 10.308 3.661 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.304 12.418 1.604 1.00 0.00 H new ATOM 254 N ARG A 20 -12.315 7.493 7.122 1.00 0.00 N ATOM 255 CA ARG A 20 -12.428 6.776 8.386 1.00 0.00 C ATOM 256 C ARG A 20 -11.056 6.577 9.023 1.00 0.00 C ATOM 257 O ARG A 20 -10.019 6.676 8.367 1.00 0.00 O ATOM 258 CB ARG A 20 -13.104 5.421 8.170 1.00 0.00 C ATOM 259 CG ARG A 20 -14.617 5.466 8.302 1.00 0.00 C ATOM 260 CD ARG A 20 -15.267 4.232 7.696 1.00 0.00 C ATOM 261 NE ARG A 20 -15.375 3.141 8.661 1.00 0.00 N ATOM 262 CZ ARG A 20 -15.844 1.936 8.358 1.00 0.00 C ATOM 263 NH1 ARG A 20 -16.246 1.668 7.124 1.00 0.00 N ATOM 264 NH2 ARG A 20 -15.912 0.995 9.292 1.00 0.00 N ATOM 0 H ARG A 20 -11.796 6.994 6.399 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.039 7.375 9.061 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.845 5.050 7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.706 4.707 8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.889 5.542 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -15.000 6.359 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.260 4.489 7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.684 3.900 6.837 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.074 3.314 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.196 2.388 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.606 0.741 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.604 1.197 10.243 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.272 0.070 9.059 1.00 0.00 H new ATOM 278 N PRO A 21 -11.048 6.290 10.334 1.00 0.00 N ATOM 279 CA PRO A 21 -9.810 6.071 11.088 1.00 0.00 C ATOM 280 C PRO A 21 -9.117 4.770 10.699 1.00 0.00 C ATOM 281 O PRO A 21 -8.089 4.409 11.272 1.00 0.00 O ATOM 282 CB PRO A 21 -10.287 6.008 12.541 1.00 0.00 C ATOM 283 CG PRO A 21 -11.709 5.570 12.455 1.00 0.00 C ATOM 284 CD PRO A 21 -12.246 6.156 11.179 1.00 0.00 C ATOM 0 HA PRO A 21 -9.074 6.853 10.899 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.691 5.305 13.123 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.201 6.979 13.028 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.783 4.483 12.446 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.278 5.921 13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.990 5.505 10.720 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.727 7.119 11.350 1.00 0.00 H new ATOM 292 N GLU A 22 -9.685 4.071 9.721 1.00 0.00 N ATOM 293 CA GLU A 22 -9.119 2.810 9.256 1.00 0.00 C ATOM 294 C GLU A 22 -8.633 2.930 7.815 1.00 0.00 C ATOM 295 O GLU A 22 -7.754 2.186 7.382 1.00 0.00 O ATOM 296 CB GLU A 22 -10.156 1.690 9.365 1.00 0.00 C ATOM 297 CG GLU A 22 -11.400 1.929 8.526 1.00 0.00 C ATOM 298 CD GLU A 22 -12.640 1.295 9.127 1.00 0.00 C ATOM 299 OE1 GLU A 22 -13.220 1.893 10.057 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.029 0.201 8.667 1.00 0.00 O ATOM 0 H GLU A 22 -10.536 4.356 9.236 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.265 2.568 9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.697 0.750 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.448 1.577 10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.561 3.002 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.241 1.529 7.525 1.00 0.00 H new ATOM 307 N GLU A 23 -9.213 3.872 7.077 1.00 0.00 N ATOM 308 CA GLU A 23 -8.840 4.088 5.685 1.00 0.00 C ATOM 309 C GLU A 23 -7.453 4.717 5.584 1.00 0.00 C ATOM 310 O GLU A 23 -7.006 5.410 6.498 1.00 0.00 O ATOM 311 CB GLU A 23 -9.869 4.983 4.991 1.00 0.00 C ATOM 312 CG GLU A 23 -11.218 4.315 4.786 1.00 0.00 C ATOM 313 CD GLU A 23 -12.164 5.153 3.949 1.00 0.00 C ATOM 314 OE1 GLU A 23 -11.981 6.388 3.904 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.087 4.575 3.339 1.00 0.00 O ATOM 0 H GLU A 23 -9.942 4.497 7.420 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.817 3.118 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.008 5.888 5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.475 5.292 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.071 3.349 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.674 4.120 5.757 1.00 0.00 H new ATOM 322 N LEU A 24 -6.777 4.469 4.468 1.00 0.00 N ATOM 323 CA LEU A 24 -5.440 5.009 4.246 1.00 0.00 C ATOM 324 C LEU A 24 -5.460 6.085 3.165 1.00 0.00 C ATOM 325 O LEU A 24 -5.966 5.864 2.065 1.00 0.00 O ATOM 326 CB LEU A 24 -4.475 3.890 3.851 1.00 0.00 C ATOM 327 CG LEU A 24 -3.012 4.095 4.245 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.131 3.044 3.590 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.549 5.494 3.866 1.00 0.00 C ATOM 0 H LEU A 24 -7.133 3.897 3.702 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.099 5.462 5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.825 2.961 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.524 3.760 2.770 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.928 3.987 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.093 3.206 3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.448 2.052 3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.219 3.120 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.506 5.622 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.648 5.631 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.161 6.233 4.383 1.00 0.00 H new ATOM 341 N ASP A 25 -4.905 7.249 3.486 1.00 0.00 N ATOM 342 CA ASP A 25 -4.856 8.359 2.541 1.00 0.00 C ATOM 343 C ASP A 25 -3.904 8.050 1.390 1.00 0.00 C ATOM 344 O ASP A 25 -2.688 7.977 1.578 1.00 0.00 O ATOM 345 CB ASP A 25 -4.420 9.641 3.251 1.00 0.00 C ATOM 346 CG ASP A 25 -5.031 9.776 4.631 1.00 0.00 C ATOM 347 OD1 ASP A 25 -4.610 9.031 5.541 1.00 0.00 O ATOM 348 OD2 ASP A 25 -5.930 10.625 4.803 1.00 0.00 O ATOM 0 H ASP A 25 -4.483 7.448 4.393 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.856 8.502 2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.333 9.654 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.703 10.502 2.646 1.00 0.00 H new ATOM 353 N LEU A 26 -4.463 7.869 0.199 1.00 0.00 N ATOM 354 CA LEU A 26 -3.663 7.567 -0.984 1.00 0.00 C ATOM 355 C LEU A 26 -3.293 8.845 -1.731 1.00 0.00 C ATOM 356 O LEU A 26 -4.062 9.805 -1.756 1.00 0.00 O ATOM 357 CB LEU A 26 -4.428 6.623 -1.913 1.00 0.00 C ATOM 358 CG LEU A 26 -5.123 5.438 -1.241 1.00 0.00 C ATOM 359 CD1 LEU A 26 -5.954 4.663 -2.252 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.100 4.526 -0.578 1.00 0.00 C ATOM 0 H LEU A 26 -5.467 7.926 0.026 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.744 7.080 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.179 7.203 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.733 6.236 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.791 5.823 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.441 3.824 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.711 5.320 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.306 4.289 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.612 3.688 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.407 4.150 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.548 5.086 0.176 1.00 0.00 H new ATOM 372 N GLN A 27 -2.112 8.846 -2.340 1.00 0.00 N ATOM 373 CA GLN A 27 -1.641 10.005 -3.089 1.00 0.00 C ATOM 374 C GLN A 27 -1.309 9.624 -4.528 1.00 0.00 C ATOM 375 O GLN A 27 -0.919 8.490 -4.808 1.00 0.00 O ATOM 376 CB GLN A 27 -0.410 10.611 -2.413 1.00 0.00 C ATOM 377 CG GLN A 27 -0.694 11.185 -1.034 1.00 0.00 C ATOM 378 CD GLN A 27 -1.810 12.210 -1.047 1.00 0.00 C ATOM 379 OE1 GLN A 27 -2.987 11.863 -1.154 1.00 0.00 O ATOM 380 NE2 GLN A 27 -1.446 13.483 -0.939 1.00 0.00 N ATOM 0 H GLN A 27 -1.464 8.058 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.440 10.746 -3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.361 9.845 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.007 11.399 -3.049 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.958 10.375 -0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.213 11.646 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.459 13.726 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.153 14.218 -0.943 1.00 0.00 H new ATOM 389 N LYS A 28 -1.466 10.579 -5.439 1.00 0.00 N ATOM 390 CA LYS A 28 -1.182 10.346 -6.850 1.00 0.00 C ATOM 391 C LYS A 28 0.318 10.206 -7.088 1.00 0.00 C ATOM 392 O LYS A 28 1.043 11.199 -7.136 1.00 0.00 O ATOM 393 CB LYS A 28 -1.740 11.490 -7.699 1.00 0.00 C ATOM 394 CG LYS A 28 -2.159 11.063 -9.095 1.00 0.00 C ATOM 395 CD LYS A 28 -1.012 11.184 -10.084 1.00 0.00 C ATOM 396 CE LYS A 28 -0.207 9.896 -10.164 1.00 0.00 C ATOM 397 NZ LYS A 28 1.223 10.156 -10.489 1.00 0.00 N ATOM 0 H LYS A 28 -1.789 11.523 -5.225 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.666 9.414 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.599 11.925 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.986 12.273 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.512 10.032 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.995 11.678 -9.429 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.405 11.430 -11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.359 12.005 -9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.273 9.367 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.639 9.244 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.738 9.254 -10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.288 10.639 -11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.643 10.757 -9.752 1.00 0.00 H new ATOM 411 N GLY A 29 0.776 8.967 -7.237 1.00 0.00 N ATOM 412 CA GLY A 29 2.188 8.722 -7.470 1.00 0.00 C ATOM 413 C GLY A 29 2.937 8.392 -6.194 1.00 0.00 C ATOM 414 O GLY A 29 4.050 8.871 -5.979 1.00 0.00 O ATOM 0 H GLY A 29 0.196 8.129 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.299 7.899 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.635 9.602 -7.933 1.00 0.00 H new ATOM 418 N GLU A 30 2.324 7.573 -5.344 1.00 0.00 N ATOM 419 CA GLU A 30 2.940 7.183 -4.082 1.00 0.00 C ATOM 420 C GLU A 30 3.158 5.674 -4.026 1.00 0.00 C ATOM 421 O GLU A 30 2.418 4.906 -4.639 1.00 0.00 O ATOM 422 CB GLU A 30 2.069 7.627 -2.905 1.00 0.00 C ATOM 423 CG GLU A 30 0.825 6.775 -2.713 1.00 0.00 C ATOM 424 CD GLU A 30 0.332 6.779 -1.279 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.620 7.755 -0.555 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.341 5.805 -0.880 1.00 0.00 O ATOM 0 H GLU A 30 1.402 7.168 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 30 3.910 7.676 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.664 7.597 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.769 8.664 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.033 7.142 -3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.040 5.750 -3.017 1.00 0.00 H new ATOM 433 N GLY A 31 4.181 5.256 -3.287 1.00 0.00 N ATOM 434 CA GLY A 31 4.480 3.841 -3.165 1.00 0.00 C ATOM 435 C GLY A 31 3.846 3.219 -1.937 1.00 0.00 C ATOM 436 O GLY A 31 4.116 3.637 -0.811 1.00 0.00 O ATOM 0 H GLY A 31 4.808 5.872 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.128 3.320 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.560 3.703 -3.122 1.00 0.00 H new ATOM 440 N ILE A 32 2.999 2.218 -2.153 1.00 0.00 N ATOM 441 CA ILE A 32 2.325 1.537 -1.054 1.00 0.00 C ATOM 442 C ILE A 32 2.789 0.089 -0.937 1.00 0.00 C ATOM 443 O ILE A 32 3.118 -0.551 -1.936 1.00 0.00 O ATOM 444 CB ILE A 32 0.795 1.561 -1.231 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.283 3.003 -1.235 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.122 0.757 -0.129 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.003 3.185 -2.010 1.00 0.00 C ATOM 0 H ILE A 32 2.763 1.861 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 32 2.586 2.074 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 32 0.547 1.105 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.127 3.327 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.049 3.651 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.959 0.783 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.468 -0.276 -0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.374 1.187 0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.307 4.231 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.847 2.892 -3.048 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.783 2.563 -1.571 1.00 0.00 H new ATOM 459 N ARG A 33 2.811 -0.421 0.290 1.00 0.00 N ATOM 460 CA ARG A 33 3.234 -1.794 0.538 1.00 0.00 C ATOM 461 C ARG A 33 2.089 -2.620 1.116 1.00 0.00 C ATOM 462 O ARG A 33 1.836 -2.594 2.321 1.00 0.00 O ATOM 463 CB ARG A 33 4.427 -1.818 1.496 1.00 0.00 C ATOM 464 CG ARG A 33 5.330 -3.027 1.315 1.00 0.00 C ATOM 465 CD ARG A 33 6.482 -3.016 2.308 1.00 0.00 C ATOM 466 NE ARG A 33 7.482 -4.033 1.997 1.00 0.00 N ATOM 467 CZ ARG A 33 8.552 -4.267 2.749 1.00 0.00 C ATOM 468 NH1 ARG A 33 8.758 -3.559 3.851 1.00 0.00 N ATOM 469 NH2 ARG A 33 9.417 -5.210 2.400 1.00 0.00 N ATOM 0 H ARG A 33 2.541 0.095 1.127 1.00 0.00 H new ATOM 0 HA ARG A 33 3.532 -2.233 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.015 -0.911 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.059 -1.801 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.748 -3.940 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.724 -3.039 0.299 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.952 -2.033 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.096 -3.183 3.313 1.00 0.00 H new ATOM 0 HE ARG A 33 7.352 -4.595 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.094 -2.833 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.580 -3.740 4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.261 -5.757 1.553 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.238 -5.388 2.978 1.00 0.00 H new ATOM 483 N VAL A 34 1.397 -3.352 0.248 1.00 0.00 N ATOM 484 CA VAL A 34 0.279 -4.186 0.671 1.00 0.00 C ATOM 485 C VAL A 34 0.737 -5.269 1.642 1.00 0.00 C ATOM 486 O VAL A 34 1.579 -6.104 1.306 1.00 0.00 O ATOM 487 CB VAL A 34 -0.413 -4.852 -0.533 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.338 -5.966 -0.070 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.176 -3.817 -1.347 1.00 0.00 C ATOM 0 H VAL A 34 1.592 -3.384 -0.753 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.432 -3.529 1.172 1.00 0.00 H new ATOM 0 HB VAL A 34 0.353 -5.292 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.817 -6.424 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.761 -6.719 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.100 -5.555 0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.659 -4.304 -2.194 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.933 -3.346 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.484 -3.058 -1.712 1.00 0.00 H new ATOM 499 N LEU A 35 0.178 -5.250 2.847 1.00 0.00 N ATOM 500 CA LEU A 35 0.529 -6.231 3.868 1.00 0.00 C ATOM 501 C LEU A 35 -0.540 -7.315 3.972 1.00 0.00 C ATOM 502 O LEU A 35 -0.299 -8.473 3.637 1.00 0.00 O ATOM 503 CB LEU A 35 0.709 -5.545 5.223 1.00 0.00 C ATOM 504 CG LEU A 35 1.216 -4.103 5.182 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.679 -3.314 6.367 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.738 -4.073 5.165 1.00 0.00 C ATOM 0 H LEU A 35 -0.520 -4.567 3.141 1.00 0.00 H new ATOM 0 HA LEU A 35 1.469 -6.700 3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.248 -5.558 5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.404 -6.137 5.818 1.00 0.00 H new ATOM 0 HG LEU A 35 0.853 -3.636 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.050 -2.290 6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.411 -3.306 6.335 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.012 -3.779 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.081 -3.039 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.122 -4.557 6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.103 -4.601 4.284 1.00 0.00 H new ATOM 518 N GLY A 36 -1.724 -6.928 4.439 1.00 0.00 N ATOM 519 CA GLY A 36 -2.813 -7.877 4.576 1.00 0.00 C ATOM 520 C GLY A 36 -3.866 -7.713 3.498 1.00 0.00 C ATOM 521 O GLY A 36 -3.812 -6.772 2.705 1.00 0.00 O ATOM 0 H GLY A 36 -1.948 -5.975 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.414 -8.891 4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.277 -7.753 5.554 1.00 0.00 H new ATOM 525 N LYS A 37 -4.826 -8.630 3.466 1.00 0.00 N ATOM 526 CA LYS A 37 -5.896 -8.584 2.477 1.00 0.00 C ATOM 527 C LYS A 37 -7.261 -8.524 3.155 1.00 0.00 C ATOM 528 O LYS A 37 -7.732 -9.515 3.713 1.00 0.00 O ATOM 529 CB LYS A 37 -5.824 -9.807 1.560 1.00 0.00 C ATOM 530 CG LYS A 37 -6.978 -9.899 0.577 1.00 0.00 C ATOM 531 CD LYS A 37 -6.959 -11.214 -0.184 1.00 0.00 C ATOM 532 CE LYS A 37 -7.823 -11.148 -1.434 1.00 0.00 C ATOM 533 NZ LYS A 37 -7.112 -10.492 -2.566 1.00 0.00 N ATOM 0 H LYS A 37 -4.885 -9.415 4.114 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.766 -7.681 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.886 -9.780 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.806 -10.709 2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.922 -9.801 1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.924 -9.069 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.934 -11.460 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.315 -12.015 0.464 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.117 -12.156 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.739 -10.600 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.734 -10.467 -3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.853 -9.521 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.251 -11.029 -2.793 1.00 0.00 H new ATOM 547 N TYR A 38 -7.892 -7.356 3.102 1.00 0.00 N ATOM 548 CA TYR A 38 -9.203 -7.166 3.712 1.00 0.00 C ATOM 549 C TYR A 38 -10.242 -8.074 3.061 1.00 0.00 C ATOM 550 O TYR A 38 -10.789 -8.969 3.705 1.00 0.00 O ATOM 551 CB TYR A 38 -9.638 -5.705 3.591 1.00 0.00 C ATOM 552 CG TYR A 38 -10.575 -5.260 4.691 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.229 -5.411 6.028 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.806 -4.689 4.394 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.082 -5.006 7.037 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.664 -4.279 5.396 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.298 -4.441 6.716 1.00 0.00 C ATOM 558 OH TYR A 38 -13.151 -4.036 7.717 1.00 0.00 O ATOM 0 H TYR A 38 -7.517 -6.526 2.643 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.127 -7.429 4.767 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.753 -5.069 3.600 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.126 -5.558 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.277 -5.853 6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.097 -4.563 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.798 -5.131 8.071 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.616 -3.834 5.147 1.00 0.00 H new ATOM 0 HH TYR A 38 -13.964 -3.658 7.321 1.00 0.00 H new ATOM 568 N GLN A 39 -10.508 -7.835 1.781 1.00 0.00 N ATOM 569 CA GLN A 39 -11.482 -8.631 1.043 1.00 0.00 C ATOM 570 C GLN A 39 -11.506 -8.233 -0.430 1.00 0.00 C ATOM 571 O GLN A 39 -10.793 -7.320 -0.848 1.00 0.00 O ATOM 572 CB GLN A 39 -12.876 -8.462 1.651 1.00 0.00 C ATOM 573 CG GLN A 39 -13.376 -7.027 1.637 1.00 0.00 C ATOM 574 CD GLN A 39 -14.759 -6.885 2.242 1.00 0.00 C ATOM 575 OE1 GLN A 39 -14.909 -6.429 3.376 1.00 0.00 O ATOM 576 NE2 GLN A 39 -15.779 -7.276 1.487 1.00 0.00 N ATOM 0 H GLN A 39 -10.064 -7.098 1.234 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.187 -9.678 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.580 -9.089 1.104 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.861 -8.823 2.680 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.677 -6.397 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.394 -6.662 0.610 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.609 -7.648 0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.733 -7.204 1.841 1.00 0.00 H new ATOM 585 N ASP A 40 -12.328 -8.924 -1.211 1.00 0.00 N ATOM 586 CA ASP A 40 -12.445 -8.643 -2.637 1.00 0.00 C ATOM 587 C ASP A 40 -12.806 -7.180 -2.875 1.00 0.00 C ATOM 588 O ASP A 40 -13.958 -6.780 -2.715 1.00 0.00 O ATOM 589 CB ASP A 40 -13.499 -9.551 -3.273 1.00 0.00 C ATOM 590 CG ASP A 40 -12.953 -10.924 -3.610 1.00 0.00 C ATOM 591 OD1 ASP A 40 -12.502 -11.627 -2.681 1.00 0.00 O ATOM 592 OD2 ASP A 40 -12.976 -11.296 -4.802 1.00 0.00 O ATOM 0 H ASP A 40 -12.924 -9.683 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.479 -8.840 -3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.343 -9.656 -2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.879 -9.082 -4.180 1.00 0.00 H new ATOM 597 N GLY A 41 -11.811 -6.385 -3.257 1.00 0.00 N ATOM 598 CA GLY A 41 -12.043 -4.975 -3.509 1.00 0.00 C ATOM 599 C GLY A 41 -11.308 -4.082 -2.529 1.00 0.00 C ATOM 600 O GLY A 41 -11.058 -2.910 -2.814 1.00 0.00 O ATOM 0 H GLY A 41 -10.848 -6.692 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.726 -4.734 -4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.112 -4.770 -3.451 1.00 0.00 H new ATOM 604 N TRP A 42 -10.961 -4.635 -1.372 1.00 0.00 N ATOM 605 CA TRP A 42 -10.252 -3.879 -0.346 1.00 0.00 C ATOM 606 C TRP A 42 -9.022 -4.640 0.137 1.00 0.00 C ATOM 607 O TRP A 42 -9.073 -5.853 0.346 1.00 0.00 O ATOM 608 CB TRP A 42 -11.180 -3.584 0.833 1.00 0.00 C ATOM 609 CG TRP A 42 -12.325 -2.684 0.477 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.587 -3.065 0.121 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.310 -1.253 0.440 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.358 -1.957 -0.135 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.598 -0.833 0.055 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.335 -0.285 0.696 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.933 0.512 -0.080 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.669 1.049 0.562 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.959 1.438 0.177 1.00 0.00 C ATOM 0 H TRP A 42 -11.159 -5.604 -1.121 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.925 -2.937 -0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.573 -4.524 1.221 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.602 -3.125 1.635 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.929 -4.087 0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.337 -1.969 -0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.338 -0.575 0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.927 0.814 -0.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.923 1.805 0.757 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.189 2.489 0.081 1.00 0.00 H new ATOM 628 N LEU A 43 -7.919 -3.922 0.313 1.00 0.00 N ATOM 629 CA LEU A 43 -6.675 -4.530 0.773 1.00 0.00 C ATOM 630 C LEU A 43 -6.007 -3.665 1.837 1.00 0.00 C ATOM 631 O LEU A 43 -6.253 -2.462 1.920 1.00 0.00 O ATOM 632 CB LEU A 43 -5.720 -4.739 -0.404 1.00 0.00 C ATOM 633 CG LEU A 43 -6.345 -5.295 -1.684 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.408 -5.095 -2.865 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.687 -6.768 -1.515 1.00 0.00 C ATOM 0 H LEU A 43 -7.860 -2.918 0.144 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.914 -5.497 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.249 -3.784 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.927 -5.416 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.268 -4.750 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.869 -5.497 -3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.214 -4.031 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.468 -5.614 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.131 -7.146 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.779 -7.329 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.396 -6.885 -0.696 1.00 0.00 H new ATOM 647 N LYS A 44 -5.158 -4.286 2.649 1.00 0.00 N ATOM 648 CA LYS A 44 -4.450 -3.574 3.707 1.00 0.00 C ATOM 649 C LYS A 44 -2.988 -3.358 3.333 1.00 0.00 C ATOM 650 O LYS A 44 -2.266 -4.309 3.033 1.00 0.00 O ATOM 651 CB LYS A 44 -4.542 -4.350 5.023 1.00 0.00 C ATOM 652 CG LYS A 44 -3.664 -3.784 6.125 1.00 0.00 C ATOM 653 CD LYS A 44 -4.062 -4.325 7.488 1.00 0.00 C ATOM 654 CE LYS A 44 -3.745 -3.332 8.596 1.00 0.00 C ATOM 655 NZ LYS A 44 -4.123 -3.858 9.937 1.00 0.00 N ATOM 0 H LYS A 44 -4.943 -5.282 2.595 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.922 -2.600 3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.578 -4.354 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.262 -5.388 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.622 -4.032 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.738 -2.697 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.128 -4.550 7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.537 -5.262 7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.680 -3.102 8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.275 -2.398 8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.891 -3.152 10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.144 -4.054 9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.598 -4.736 10.126 1.00 0.00 H new ATOM 669 N GLY A 45 -2.555 -2.101 3.354 1.00 0.00 N ATOM 670 CA GLY A 45 -1.180 -1.783 3.016 1.00 0.00 C ATOM 671 C GLY A 45 -0.681 -0.540 3.724 1.00 0.00 C ATOM 672 O GLY A 45 -1.472 0.244 4.250 1.00 0.00 O ATOM 0 H GLY A 45 -3.133 -1.297 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.541 -2.627 3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.098 -1.641 1.938 1.00 0.00 H new ATOM 676 N LEU A 46 0.635 -0.358 3.741 1.00 0.00 N ATOM 677 CA LEU A 46 1.239 0.799 4.392 1.00 0.00 C ATOM 678 C LEU A 46 1.846 1.747 3.363 1.00 0.00 C ATOM 679 O LEU A 46 2.828 1.414 2.700 1.00 0.00 O ATOM 680 CB LEU A 46 2.314 0.347 5.383 1.00 0.00 C ATOM 681 CG LEU A 46 3.227 1.446 5.930 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.313 1.788 4.922 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.417 2.684 6.285 1.00 0.00 C ATOM 0 H LEU A 46 1.304 -0.997 3.311 1.00 0.00 H new ATOM 0 HA LEU A 46 0.456 1.332 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.822 -0.141 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.935 -0.405 4.897 1.00 0.00 H new ATOM 0 HG LEU A 46 3.705 1.077 6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.953 2.571 5.328 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.912 0.901 4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.854 2.138 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.082 3.455 6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.911 3.055 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.677 2.429 7.043 1.00 0.00 H new ATOM 695 N SER A 47 1.257 2.932 3.238 1.00 0.00 N ATOM 696 CA SER A 47 1.738 3.929 2.289 1.00 0.00 C ATOM 697 C SER A 47 3.181 4.318 2.595 1.00 0.00 C ATOM 698 O SER A 47 3.459 4.978 3.598 1.00 0.00 O ATOM 699 CB SER A 47 0.845 5.170 2.323 1.00 0.00 C ATOM 700 OG SER A 47 1.247 6.116 1.347 1.00 0.00 O ATOM 0 H SER A 47 0.446 3.225 3.782 1.00 0.00 H new ATOM 0 HA SER A 47 1.701 3.492 1.291 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.191 4.881 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.886 5.624 3.313 1.00 0.00 H new ATOM 0 HG SER A 47 0.500 6.718 1.148 1.00 0.00 H new ATOM 706 N LEU A 48 4.096 3.906 1.725 1.00 0.00 N ATOM 707 CA LEU A 48 5.512 4.211 1.901 1.00 0.00 C ATOM 708 C LEU A 48 5.765 5.710 1.779 1.00 0.00 C ATOM 709 O LEU A 48 6.830 6.203 2.154 1.00 0.00 O ATOM 710 CB LEU A 48 6.349 3.455 0.868 1.00 0.00 C ATOM 711 CG LEU A 48 6.057 1.960 0.732 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.401 1.474 -0.668 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.829 1.168 1.778 1.00 0.00 C ATOM 0 H LEU A 48 3.883 3.360 0.890 1.00 0.00 H new ATOM 0 HA LEU A 48 5.806 3.892 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.200 3.924 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.402 3.578 1.123 1.00 0.00 H new ATOM 0 HG LEU A 48 4.992 1.801 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.187 0.408 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.804 2.019 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.459 1.647 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.609 0.106 1.666 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.898 1.333 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.534 1.497 2.774 1.00 0.00 H new ATOM 725 N LEU A 49 4.780 6.430 1.256 1.00 0.00 N ATOM 726 CA LEU A 49 4.894 7.875 1.087 1.00 0.00 C ATOM 727 C LEU A 49 4.570 8.603 2.387 1.00 0.00 C ATOM 728 O LEU A 49 5.450 9.183 3.024 1.00 0.00 O ATOM 729 CB LEU A 49 3.960 8.353 -0.026 1.00 0.00 C ATOM 730 CG LEU A 49 3.799 9.868 -0.162 1.00 0.00 C ATOM 731 CD1 LEU A 49 4.837 10.432 -1.119 1.00 0.00 C ATOM 732 CD2 LEU A 49 2.393 10.214 -0.631 1.00 0.00 C ATOM 0 H LEU A 49 3.893 6.038 0.941 1.00 0.00 H new ATOM 0 HA LEU A 49 5.924 8.104 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.326 7.960 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.975 7.916 0.141 1.00 0.00 H new ATOM 0 HG LEU A 49 3.956 10.320 0.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.706 11.511 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.836 10.216 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.714 9.974 -2.101 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.296 11.296 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.208 9.750 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.667 9.844 0.093 1.00 0.00 H new ATOM 744 N THR A 50 3.300 8.568 2.778 1.00 0.00 N ATOM 745 CA THR A 50 2.858 9.223 4.003 1.00 0.00 C ATOM 746 C THR A 50 3.327 8.457 5.235 1.00 0.00 C ATOM 747 O THR A 50 3.765 9.053 6.218 1.00 0.00 O ATOM 748 CB THR A 50 1.325 9.356 4.048 1.00 0.00 C ATOM 749 OG1 THR A 50 0.714 8.102 3.722 1.00 0.00 O ATOM 750 CG2 THR A 50 0.846 10.425 3.078 1.00 0.00 C ATOM 0 H THR A 50 2.559 8.092 2.263 1.00 0.00 H new ATOM 0 HA THR A 50 3.301 10.219 4.007 1.00 0.00 H new ATOM 0 HB THR A 50 1.038 9.648 5.058 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.261 8.195 3.754 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.240 10.501 3.127 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.289 11.384 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.145 10.157 2.065 1.00 0.00 H new ATOM 758 N GLY A 51 3.232 7.133 5.175 1.00 0.00 N ATOM 759 CA GLY A 51 3.651 6.307 6.293 1.00 0.00 C ATOM 760 C GLY A 51 2.486 5.865 7.156 1.00 0.00 C ATOM 761 O GLY A 51 2.649 5.617 8.351 1.00 0.00 O ATOM 0 H GLY A 51 2.872 6.617 4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.174 5.428 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.362 6.862 6.905 1.00 0.00 H new ATOM 765 N ARG A 52 1.307 5.768 6.550 1.00 0.00 N ATOM 766 CA ARG A 52 0.109 5.356 7.272 1.00 0.00 C ATOM 767 C ARG A 52 -0.388 4.003 6.772 1.00 0.00 C ATOM 768 O ARG A 52 -0.235 3.668 5.597 1.00 0.00 O ATOM 769 CB ARG A 52 -0.993 6.406 7.117 1.00 0.00 C ATOM 770 CG ARG A 52 -0.522 7.827 7.380 1.00 0.00 C ATOM 771 CD ARG A 52 -1.672 8.724 7.810 1.00 0.00 C ATOM 772 NE ARG A 52 -1.200 9.986 8.375 1.00 0.00 N ATOM 773 CZ ARG A 52 -0.639 10.950 7.654 1.00 0.00 C ATOM 774 NH1 ARG A 52 -0.482 10.798 6.346 1.00 0.00 N ATOM 775 NH2 ARG A 52 -0.235 12.069 8.240 1.00 0.00 N ATOM 0 H ARG A 52 1.156 5.969 5.561 1.00 0.00 H new ATOM 0 HA ARG A 52 0.365 5.262 8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.399 6.348 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.807 6.170 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.245 7.820 8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.061 8.231 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.313 8.928 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.282 8.203 8.547 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.307 10.135 9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.792 9.939 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.051 11.540 5.794 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.355 12.190 9.246 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.196 12.809 7.685 1.00 0.00 H new ATOM 789 N THR A 53 -0.985 3.228 7.673 1.00 0.00 N ATOM 790 CA THR A 53 -1.503 1.911 7.324 1.00 0.00 C ATOM 791 C THR A 53 -3.024 1.877 7.417 1.00 0.00 C ATOM 792 O THR A 53 -3.598 2.142 8.472 1.00 0.00 O ATOM 793 CB THR A 53 -0.920 0.818 8.239 1.00 0.00 C ATOM 794 OG1 THR A 53 0.485 1.026 8.418 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.162 -0.565 7.652 1.00 0.00 C ATOM 0 H THR A 53 -1.121 3.490 8.649 1.00 0.00 H new ATOM 0 HA THR A 53 -1.200 1.714 6.296 1.00 0.00 H new ATOM 0 HB THR A 53 -1.422 0.879 9.205 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.847 0.328 9.002 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.742 -1.321 8.316 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.234 -0.732 7.545 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.684 -0.634 6.675 1.00 0.00 H new ATOM 803 N GLY A 54 -3.673 1.547 6.304 1.00 0.00 N ATOM 804 CA GLY A 54 -5.123 1.484 6.282 1.00 0.00 C ATOM 805 C GLY A 54 -5.648 0.601 5.167 1.00 0.00 C ATOM 806 O GLY A 54 -4.875 -0.074 4.485 1.00 0.00 O ATOM 0 H GLY A 54 -3.221 1.322 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.482 1.107 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.526 2.490 6.165 1.00 0.00 H new ATOM 810 N ILE A 55 -6.963 0.603 4.982 1.00 0.00 N ATOM 811 CA ILE A 55 -7.590 -0.204 3.943 1.00 0.00 C ATOM 812 C ILE A 55 -7.930 0.641 2.720 1.00 0.00 C ATOM 813 O ILE A 55 -8.662 1.626 2.817 1.00 0.00 O ATOM 814 CB ILE A 55 -8.872 -0.885 4.455 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.768 0.133 5.165 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.525 -2.035 5.389 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.120 -0.421 5.554 1.00 0.00 C ATOM 0 H ILE A 55 -7.616 1.155 5.539 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.869 -0.971 3.662 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.417 -1.288 3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.259 0.491 6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.911 0.995 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.442 -2.506 5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.923 -2.769 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.961 -1.655 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.701 0.355 6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.648 -0.753 4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.986 -1.265 6.230 1.00 0.00 H new ATOM 829 N PHE A 56 -7.395 0.248 1.568 1.00 0.00 N ATOM 830 CA PHE A 56 -7.643 0.969 0.325 1.00 0.00 C ATOM 831 C PHE A 56 -8.218 0.038 -0.738 1.00 0.00 C ATOM 832 O PHE A 56 -8.041 -1.180 -0.695 1.00 0.00 O ATOM 833 CB PHE A 56 -6.349 1.608 -0.185 1.00 0.00 C ATOM 834 CG PHE A 56 -5.153 0.706 -0.078 1.00 0.00 C ATOM 835 CD1 PHE A 56 -4.942 -0.301 -1.006 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.239 0.865 0.951 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.842 -1.132 -0.911 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.137 0.037 1.051 1.00 0.00 C ATOM 839 CZ PHE A 56 -2.939 -0.963 0.120 1.00 0.00 C ATOM 0 H PHE A 56 -6.787 -0.565 1.470 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.372 1.754 0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.483 1.899 -1.227 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.157 2.521 0.379 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.646 -0.438 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.389 1.645 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.689 -1.912 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.431 0.172 1.857 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.079 -1.612 0.198 1.00 0.00 H new ATOM 849 N PRO A 57 -8.924 0.623 -1.717 1.00 0.00 N ATOM 850 CA PRO A 57 -9.539 -0.135 -2.811 1.00 0.00 C ATOM 851 C PRO A 57 -8.504 -0.713 -3.769 1.00 0.00 C ATOM 852 O PRO A 57 -7.644 0.006 -4.277 1.00 0.00 O ATOM 853 CB PRO A 57 -10.403 0.909 -3.523 1.00 0.00 C ATOM 854 CG PRO A 57 -9.755 2.214 -3.212 1.00 0.00 C ATOM 855 CD PRO A 57 -9.175 2.070 -1.832 1.00 0.00 C ATOM 0 HA PRO A 57 -10.100 -0.996 -2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.436 0.729 -4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.432 0.883 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.978 2.447 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.479 3.028 -3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.257 2.647 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.868 2.420 -1.066 1.00 0.00 H new ATOM 863 N SER A 58 -8.595 -2.017 -4.014 1.00 0.00 N ATOM 864 CA SER A 58 -7.663 -2.693 -4.910 1.00 0.00 C ATOM 865 C SER A 58 -7.667 -2.041 -6.289 1.00 0.00 C ATOM 866 O SER A 58 -6.650 -2.028 -6.984 1.00 0.00 O ATOM 867 CB SER A 58 -8.025 -4.174 -5.032 1.00 0.00 C ATOM 868 OG SER A 58 -7.145 -4.842 -5.919 1.00 0.00 O ATOM 0 H SER A 58 -9.304 -2.626 -3.605 1.00 0.00 H new ATOM 0 HA SER A 58 -6.662 -2.605 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.982 -4.644 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.050 -4.273 -5.389 1.00 0.00 H new ATOM 0 HG SER A 58 -7.396 -5.787 -5.979 1.00 0.00 H new ATOM 874 N ASP A 59 -8.816 -1.500 -6.678 1.00 0.00 N ATOM 875 CA ASP A 59 -8.953 -0.845 -7.974 1.00 0.00 C ATOM 876 C ASP A 59 -8.010 0.350 -8.081 1.00 0.00 C ATOM 877 O ASP A 59 -7.660 0.780 -9.180 1.00 0.00 O ATOM 878 CB ASP A 59 -10.397 -0.392 -8.190 1.00 0.00 C ATOM 879 CG ASP A 59 -11.358 -1.559 -8.311 1.00 0.00 C ATOM 880 OD1 ASP A 59 -11.034 -2.521 -9.039 1.00 0.00 O ATOM 881 OD2 ASP A 59 -12.433 -1.509 -7.678 1.00 0.00 O ATOM 0 H ASP A 59 -9.666 -1.502 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.687 -1.565 -8.748 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.704 0.243 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.453 0.216 -9.093 1.00 0.00 H new ATOM 886 N TYR A 60 -7.605 0.882 -6.933 1.00 0.00 N ATOM 887 CA TYR A 60 -6.706 2.029 -6.897 1.00 0.00 C ATOM 888 C TYR A 60 -5.248 1.580 -6.907 1.00 0.00 C ATOM 889 O TYR A 60 -4.358 2.330 -7.306 1.00 0.00 O ATOM 890 CB TYR A 60 -6.981 2.881 -5.657 1.00 0.00 C ATOM 891 CG TYR A 60 -8.152 3.824 -5.817 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.417 3.346 -6.132 1.00 0.00 C ATOM 893 CD2 TYR A 60 -7.992 5.195 -5.652 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.489 4.204 -6.281 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.058 6.061 -5.797 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.305 5.561 -6.112 1.00 0.00 C ATOM 897 OH TYR A 60 -11.370 6.419 -6.257 1.00 0.00 O ATOM 0 H TYR A 60 -7.885 0.537 -6.015 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.888 2.629 -7.789 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.169 2.223 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.089 3.460 -5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.565 2.284 -6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.017 5.590 -5.406 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.466 3.815 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.916 7.123 -5.665 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.071 7.340 -6.104 1.00 0.00 H new ATOM 907 N VAL A 61 -5.013 0.349 -6.464 1.00 0.00 N ATOM 908 CA VAL A 61 -3.664 -0.203 -6.422 1.00 0.00 C ATOM 909 C VAL A 61 -3.488 -1.302 -7.463 1.00 0.00 C ATOM 910 O VAL A 61 -4.233 -2.283 -7.478 1.00 0.00 O ATOM 911 CB VAL A 61 -3.333 -0.773 -5.029 1.00 0.00 C ATOM 912 CG1 VAL A 61 -2.997 0.349 -4.059 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.492 -1.610 -4.508 1.00 0.00 C ATOM 0 H VAL A 61 -5.739 -0.285 -6.129 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.980 0.616 -6.643 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.459 -1.418 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.766 -0.073 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.134 0.903 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.850 1.022 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.242 -2.005 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.385 -0.989 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.681 -2.436 -5.193 1.00 0.00 H new ATOM 923 N ILE A 62 -2.497 -1.133 -8.333 1.00 0.00 N ATOM 924 CA ILE A 62 -2.222 -2.112 -9.377 1.00 0.00 C ATOM 925 C ILE A 62 -0.962 -2.911 -9.063 1.00 0.00 C ATOM 926 O ILE A 62 0.061 -2.367 -8.645 1.00 0.00 O ATOM 927 CB ILE A 62 -2.059 -1.437 -10.752 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.329 -2.443 -11.873 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.665 -0.844 -10.889 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.289 -1.832 -13.256 1.00 0.00 C ATOM 0 H ILE A 62 -1.872 -0.327 -8.335 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.078 -2.786 -9.411 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.786 -0.628 -10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.592 -3.244 -11.817 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.307 -2.898 -11.714 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.565 -0.371 -11.866 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.508 -0.100 -10.108 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.078 -1.635 -10.792 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.489 -2.603 -14.000 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.045 -1.051 -13.331 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.304 -1.402 -13.435 1.00 0.00 H new ATOM 942 N PRO A 63 -1.033 -4.234 -9.271 1.00 0.00 N ATOM 943 CA PRO A 63 0.094 -5.137 -9.019 1.00 0.00 C ATOM 944 C PRO A 63 1.228 -4.942 -10.019 1.00 0.00 C ATOM 945 O PRO A 63 1.130 -5.362 -11.173 1.00 0.00 O ATOM 946 CB PRO A 63 -0.524 -6.528 -9.175 1.00 0.00 C ATOM 947 CG PRO A 63 -1.692 -6.325 -10.077 1.00 0.00 C ATOM 948 CD PRO A 63 -2.219 -4.951 -9.768 1.00 0.00 C ATOM 0 HA PRO A 63 0.545 -4.963 -8.042 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.189 -7.232 -9.603 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.833 -6.934 -8.212 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.396 -6.403 -11.123 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.455 -7.084 -9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.636 -4.472 -10.654 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.011 -4.983 -9.020 1.00 0.00 H new ATOM 956 N VAL A 64 2.304 -4.304 -9.571 1.00 0.00 N ATOM 957 CA VAL A 64 3.458 -4.055 -10.427 1.00 0.00 C ATOM 958 C VAL A 64 4.228 -5.342 -10.699 1.00 0.00 C ATOM 959 O VAL A 64 4.065 -6.336 -9.992 1.00 0.00 O ATOM 960 CB VAL A 64 4.411 -3.022 -9.797 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.742 -1.659 -9.713 1.00 0.00 C ATOM 962 CG2 VAL A 64 4.867 -3.487 -8.423 1.00 0.00 C ATOM 0 H VAL A 64 2.401 -3.950 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 64 3.075 -3.659 -11.368 1.00 0.00 H new ATOM 0 HB VAL A 64 5.290 -2.929 -10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.431 -0.943 -9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.471 -1.325 -10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.844 -1.732 -9.099 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.540 -2.745 -7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.000 -3.610 -7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.389 -4.439 -8.516 1.00 0.00 H new ATOM 972 N SER A 65 5.068 -5.316 -11.729 1.00 0.00 N ATOM 973 CA SER A 65 5.862 -6.482 -12.097 1.00 0.00 C ATOM 974 C SER A 65 6.970 -6.730 -11.077 1.00 0.00 C ATOM 975 O SER A 65 8.056 -6.161 -11.174 1.00 0.00 O ATOM 976 CB SER A 65 6.468 -6.294 -13.489 1.00 0.00 C ATOM 977 OG SER A 65 6.838 -7.539 -14.057 1.00 0.00 O ATOM 0 H SER A 65 5.216 -4.500 -12.323 1.00 0.00 H new ATOM 0 HA SER A 65 5.203 -7.350 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.749 -5.794 -14.138 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.342 -5.646 -13.424 1.00 0.00 H new ATOM 0 HG SER A 65 7.221 -7.392 -14.947 1.00 0.00 H new ATOM 983 N GLY A 66 6.685 -7.584 -10.099 1.00 0.00 N ATOM 984 CA GLY A 66 7.665 -7.892 -9.074 1.00 0.00 C ATOM 985 C GLY A 66 8.092 -9.346 -9.099 1.00 0.00 C ATOM 986 O GLY A 66 7.602 -10.146 -9.897 1.00 0.00 O ATOM 0 H GLY A 66 5.793 -8.068 -9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.540 -7.257 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.249 -7.655 -8.095 1.00 0.00 H new ATOM 990 N PRO A 67 9.028 -9.708 -8.210 1.00 0.00 N ATOM 991 CA PRO A 67 9.543 -11.077 -8.114 1.00 0.00 C ATOM 992 C PRO A 67 8.505 -12.049 -7.563 1.00 0.00 C ATOM 993 O PRO A 67 8.618 -13.261 -7.743 1.00 0.00 O ATOM 994 CB PRO A 67 10.720 -10.947 -7.145 1.00 0.00 C ATOM 995 CG PRO A 67 10.402 -9.747 -6.321 1.00 0.00 C ATOM 996 CD PRO A 67 9.657 -8.807 -7.229 1.00 0.00 C ATOM 0 HA PRO A 67 9.819 -11.478 -9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.822 -11.837 -6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.661 -10.822 -7.680 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.796 -10.017 -5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.312 -9.283 -5.940 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.914 -8.225 -6.683 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.329 -8.096 -7.709 1.00 0.00 H new ATOM 1004 N SER A 68 7.493 -11.508 -6.891 1.00 0.00 N ATOM 1005 CA SER A 68 6.436 -12.329 -6.311 1.00 0.00 C ATOM 1006 C SER A 68 5.705 -13.118 -7.393 1.00 0.00 C ATOM 1007 O SER A 68 5.545 -14.334 -7.289 1.00 0.00 O ATOM 1008 CB SER A 68 5.443 -11.452 -5.545 1.00 0.00 C ATOM 1009 OG SER A 68 4.640 -12.231 -4.676 1.00 0.00 O ATOM 0 H SER A 68 7.383 -10.506 -6.735 1.00 0.00 H new ATOM 0 HA SER A 68 6.896 -13.035 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.985 -10.701 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.807 -10.916 -6.250 1.00 0.00 H new ATOM 0 HG SER A 68 4.015 -11.647 -4.197 1.00 0.00 H new ATOM 1015 N SER A 69 5.263 -12.417 -8.432 1.00 0.00 N ATOM 1016 CA SER A 69 4.546 -13.050 -9.532 1.00 0.00 C ATOM 1017 C SER A 69 4.500 -12.133 -10.751 1.00 0.00 C ATOM 1018 O SER A 69 4.307 -10.924 -10.625 1.00 0.00 O ATOM 1019 CB SER A 69 3.124 -13.413 -9.100 1.00 0.00 C ATOM 1020 OG SER A 69 2.600 -14.460 -9.898 1.00 0.00 O ATOM 0 H SER A 69 5.389 -11.410 -8.535 1.00 0.00 H new ATOM 0 HA SER A 69 5.080 -13.961 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.125 -13.715 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.482 -12.536 -9.178 1.00 0.00 H new ATOM 0 HG SER A 69 1.691 -14.674 -9.601 1.00 0.00 H new ATOM 1026 N GLY A 70 4.680 -12.717 -11.931 1.00 0.00 N ATOM 1027 CA GLY A 70 4.657 -11.939 -13.156 1.00 0.00 C ATOM 1028 C GLY A 70 3.247 -11.663 -13.640 1.00 0.00 C ATOM 1029 O GLY A 70 3.028 -10.766 -14.454 1.00 0.00 O ATOM 0 H GLY A 70 4.841 -13.716 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.173 -10.993 -12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.207 -12.472 -13.932 1.00 0.00 H new TER 1033 GLY A 70