USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 SER OG : rot -87:sc= 1.23 USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.0258 X(o=2.8,f=2.8) USER MOD Set 2.2: A 17 CYS SG : rot 50:sc= 1.49 USER MOD Set 2.3: A 69 TYR OH : rot -3:sc= 1.34 USER MOD Set 3.1: A 3 SER OG : rot -148:sc= 1.25 USER MOD Set 3.2: A 47 TYR OH : rot 157:sc= 2.01 USER MOD Single : A 1 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 17:sc= 0.601 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -168:sc= -0.17 (180deg=-0.693) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= 2.47 (180deg=2.29) USER MOD Single : A 16 SER OG : rot 180:sc=0.000105 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc=-0.000816 F(o=-2.2!,f=-0.00082) USER MOD Single : A 23 SER OG : rot 81:sc= 0.959 USER MOD Single : A 24 THR OG1 : rot 84:sc= -0.17 USER MOD Single : A 26 SER OG : rot -42:sc= 0.94 USER MOD Single : A 29 GLN : amide:sc= 0.917 K(o=0.92,f=-5.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0583 USER MOD Single : A 32 SER OG : rot -143:sc= 1.25 USER MOD Single : A 33 SER OG : rot 36:sc= 1.23 USER MOD Single : A 40 ASN : amide:sc= 0.65 K(o=0.65,f=-0.0012) USER MOD Single : A 48 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -150:sc= 1.25 (180deg=1.06) USER MOD Single : A 65 SER OG : rot 114:sc= 1.15 USER MOD Single : A 72 SER OG : rot 68:sc= 0.126 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -12.689 -14.470 -5.964 1.00 0.00 N ATOM 2 CA ASN A 1 -12.464 -13.400 -6.930 1.00 0.00 C ATOM 3 C ASN A 1 -12.133 -12.088 -6.187 1.00 0.00 C ATOM 4 O ASN A 1 -13.004 -11.248 -5.965 1.00 0.00 O ATOM 5 CB ASN A 1 -13.688 -13.286 -7.867 1.00 0.00 C ATOM 6 CG ASN A 1 -13.290 -12.784 -9.241 1.00 0.00 C ATOM 7 OD1 ASN A 1 -13.570 -11.661 -9.631 1.00 0.00 O ATOM 8 ND2 ASN A 1 -12.620 -13.625 -10.010 1.00 0.00 N ATOM 0 H1 ASN A 1 -12.912 -15.352 -6.468 1.00 0.00 H new ATOM 0 H2 ASN A 1 -11.832 -14.606 -5.391 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.484 -14.216 -5.343 1.00 0.00 H new ATOM 0 HA ASN A 1 -11.604 -13.624 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.169 -14.260 -7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -14.421 -12.609 -7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -12.329 -13.340 -10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -12.394 -14.559 -9.668 1.00 0.00 H new ATOM 15 N ASP A 2 -10.889 -11.957 -5.716 1.00 0.00 N ATOM 16 CA ASP A 2 -10.381 -10.762 -5.045 1.00 0.00 C ATOM 17 C ASP A 2 -10.047 -9.616 -6.015 1.00 0.00 C ATOM 18 O ASP A 2 -9.840 -9.792 -7.214 1.00 0.00 O ATOM 19 CB ASP A 2 -9.216 -11.072 -4.072 1.00 0.00 C ATOM 20 CG ASP A 2 -8.201 -12.166 -4.442 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.260 -12.751 -5.550 1.00 0.00 O ATOM 22 OD2 ASP A 2 -7.385 -12.464 -3.537 1.00 0.00 O ATOM 0 H ASP A 2 -10.193 -12.698 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.206 -10.400 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -8.660 -10.147 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.654 -11.342 -3.111 1.00 0.00 H new ATOM 27 N SER A 3 -10.027 -8.403 -5.471 1.00 0.00 N ATOM 28 CA SER A 3 -9.650 -7.184 -6.172 1.00 0.00 C ATOM 29 C SER A 3 -8.157 -6.877 -5.980 1.00 0.00 C ATOM 30 O SER A 3 -7.452 -7.532 -5.210 1.00 0.00 O ATOM 31 CB SER A 3 -10.528 -6.038 -5.653 1.00 0.00 C ATOM 32 OG SER A 3 -10.249 -4.808 -6.309 1.00 0.00 O ATOM 0 H SER A 3 -10.282 -8.238 -4.497 1.00 0.00 H new ATOM 0 HA SER A 3 -9.809 -7.308 -7.243 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.578 -6.294 -5.796 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.372 -5.920 -4.581 1.00 0.00 H new ATOM 0 HG SER A 3 -10.390 -4.065 -5.685 1.00 0.00 H new ATOM 38 N THR A 4 -7.657 -5.847 -6.665 1.00 0.00 N ATOM 39 CA THR A 4 -6.247 -5.446 -6.677 1.00 0.00 C ATOM 40 C THR A 4 -6.125 -3.984 -7.072 1.00 0.00 C ATOM 41 O THR A 4 -6.876 -3.481 -7.905 1.00 0.00 O ATOM 42 CB THR A 4 -5.446 -6.378 -7.596 1.00 0.00 C ATOM 43 OG1 THR A 4 -5.285 -7.591 -6.919 1.00 0.00 O ATOM 44 CG2 THR A 4 -4.035 -5.895 -7.950 1.00 0.00 C ATOM 0 H THR A 4 -8.242 -5.248 -7.247 1.00 0.00 H new ATOM 0 HA THR A 4 -5.824 -5.542 -5.677 1.00 0.00 H new ATOM 0 HB THR A 4 -6.008 -6.438 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.927 -7.641 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.554 -6.624 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.097 -4.935 -8.462 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.449 -5.783 -7.038 1.00 0.00 H new ATOM 52 N ALA A 5 -5.161 -3.303 -6.460 1.00 0.00 N ATOM 53 CA ALA A 5 -4.820 -1.910 -6.706 1.00 0.00 C ATOM 54 C ALA A 5 -3.320 -1.649 -6.505 1.00 0.00 C ATOM 55 O ALA A 5 -2.620 -2.407 -5.812 1.00 0.00 O ATOM 56 CB ALA A 5 -5.665 -1.045 -5.769 1.00 0.00 C ATOM 0 H ALA A 5 -4.570 -3.729 -5.746 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.036 -1.657 -7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.429 0.006 -5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.722 -1.215 -5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.447 -1.309 -4.734 1.00 0.00 H new ATOM 62 N THR A 6 -2.862 -0.543 -7.105 1.00 0.00 N ATOM 63 CA THR A 6 -1.480 -0.062 -7.063 1.00 0.00 C ATOM 64 C THR A 6 -1.431 1.329 -6.456 1.00 0.00 C ATOM 65 O THR A 6 -2.246 2.201 -6.762 1.00 0.00 O ATOM 66 CB THR A 6 -0.856 -0.016 -8.460 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.039 -1.257 -9.096 1.00 0.00 O ATOM 68 CG2 THR A 6 0.648 0.249 -8.400 1.00 0.00 C ATOM 0 H THR A 6 -3.471 0.064 -7.654 1.00 0.00 H new ATOM 0 HA THR A 6 -0.910 -0.760 -6.450 1.00 0.00 H new ATOM 0 HB THR A 6 -1.344 0.792 -9.006 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.641 -1.228 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.054 0.274 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.830 1.207 -7.912 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.135 -0.545 -7.833 1.00 0.00 H new ATOM 76 N PHE A 7 -0.408 1.531 -5.635 1.00 0.00 N ATOM 77 CA PHE A 7 -0.161 2.761 -4.898 1.00 0.00 C ATOM 78 C PHE A 7 1.334 3.067 -4.882 1.00 0.00 C ATOM 79 O PHE A 7 2.171 2.173 -4.753 1.00 0.00 O ATOM 80 CB PHE A 7 -0.674 2.629 -3.459 1.00 0.00 C ATOM 81 CG PHE A 7 -2.070 2.029 -3.332 1.00 0.00 C ATOM 82 CD1 PHE A 7 -2.276 0.631 -3.321 1.00 0.00 C ATOM 83 CD2 PHE A 7 -3.188 2.882 -3.321 1.00 0.00 C ATOM 84 CE1 PHE A 7 -3.570 0.104 -3.337 1.00 0.00 C ATOM 85 CE2 PHE A 7 -4.487 2.347 -3.327 1.00 0.00 C ATOM 86 CZ PHE A 7 -4.678 0.961 -3.340 1.00 0.00 C ATOM 0 H PHE A 7 0.297 0.816 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.691 3.576 -5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.025 2.012 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.674 3.616 -2.996 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.426 -0.035 -3.300 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.047 3.953 -3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.716 -0.966 -3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.341 3.008 -3.322 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.678 0.553 -3.352 1.00 0.00 H new ATOM 96 N ILE A 8 1.683 4.340 -4.981 1.00 0.00 N ATOM 97 CA ILE A 8 3.053 4.829 -4.896 1.00 0.00 C ATOM 98 C ILE A 8 3.165 5.871 -3.807 1.00 0.00 C ATOM 99 O ILE A 8 2.261 6.679 -3.623 1.00 0.00 O ATOM 100 CB ILE A 8 3.491 5.359 -6.277 1.00 0.00 C ATOM 101 CG1 ILE A 8 5.026 5.442 -6.336 1.00 0.00 C ATOM 102 CG2 ILE A 8 2.850 6.711 -6.629 1.00 0.00 C ATOM 103 CD1 ILE A 8 5.584 5.299 -7.751 1.00 0.00 C ATOM 0 H ILE A 8 1.002 5.085 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 8 3.730 4.018 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 8 3.136 4.653 -7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.348 6.397 -5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.450 4.661 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.196 7.033 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.765 6.607 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.134 7.453 -5.883 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.672 5.367 -7.722 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.291 4.333 -8.162 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.188 6.096 -8.381 1.00 0.00 H new ATOM 115 N ILE A 9 4.270 5.826 -3.074 1.00 0.00 N ATOM 116 CA ILE A 9 4.582 6.675 -1.945 1.00 0.00 C ATOM 117 C ILE A 9 5.833 7.481 -2.283 1.00 0.00 C ATOM 118 O ILE A 9 6.728 6.980 -2.954 1.00 0.00 O ATOM 119 CB ILE A 9 4.926 5.791 -0.720 1.00 0.00 C ATOM 120 CG1 ILE A 9 3.965 4.616 -0.430 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.011 6.670 0.539 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.169 3.327 -1.218 1.00 0.00 C ATOM 0 H ILE A 9 5.013 5.154 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 9 3.732 7.322 -1.728 1.00 0.00 H new ATOM 0 HB ILE A 9 5.879 5.330 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.038 4.376 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.947 4.962 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.253 6.048 1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.788 7.423 0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.053 7.162 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.425 2.592 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.060 3.531 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.168 2.936 -1.024 1.00 0.00 H new ATOM 134 N ASP A 10 5.945 8.691 -1.765 1.00 0.00 N ATOM 135 CA ASP A 10 7.239 9.376 -1.721 1.00 0.00 C ATOM 136 C ASP A 10 7.483 9.858 -0.291 1.00 0.00 C ATOM 137 O ASP A 10 6.528 10.187 0.409 1.00 0.00 O ATOM 138 CB ASP A 10 7.369 10.483 -2.787 1.00 0.00 C ATOM 139 CG ASP A 10 8.757 10.499 -3.466 1.00 0.00 C ATOM 140 OD1 ASP A 10 9.681 9.774 -3.014 1.00 0.00 O ATOM 141 OD2 ASP A 10 8.909 11.192 -4.496 1.00 0.00 O ATOM 0 H ASP A 10 5.168 9.221 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 10 8.031 8.676 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.600 10.342 -3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.185 11.452 -2.323 1.00 0.00 H new ATOM 146 N GLY A 11 8.730 9.787 0.174 1.00 0.00 N ATOM 147 CA GLY A 11 9.108 10.083 1.562 1.00 0.00 C ATOM 148 C GLY A 11 9.333 8.801 2.356 1.00 0.00 C ATOM 149 O GLY A 11 9.987 8.812 3.394 1.00 0.00 O ATOM 0 H GLY A 11 9.522 9.518 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.016 10.686 1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.326 10.676 2.037 1.00 0.00 H new ATOM 153 N MET A 12 8.856 7.668 1.831 1.00 0.00 N ATOM 154 CA MET A 12 9.218 6.355 2.350 1.00 0.00 C ATOM 155 C MET A 12 10.734 6.184 2.267 1.00 0.00 C ATOM 156 O MET A 12 11.341 6.422 1.227 1.00 0.00 O ATOM 157 CB MET A 12 8.432 5.249 1.622 1.00 0.00 C ATOM 158 CG MET A 12 9.075 4.633 0.382 1.00 0.00 C ATOM 159 SD MET A 12 8.045 3.387 -0.422 1.00 0.00 S ATOM 160 CE MET A 12 8.554 1.909 0.478 1.00 0.00 C ATOM 0 H MET A 12 8.213 7.640 1.040 1.00 0.00 H new ATOM 0 HA MET A 12 8.940 6.271 3.401 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.239 4.448 2.335 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.464 5.658 1.332 1.00 0.00 H new ATOM 0 HG2 MET A 12 9.298 5.425 -0.333 1.00 0.00 H new ATOM 0 HG3 MET A 12 10.026 4.180 0.663 1.00 0.00 H new ATOM 0 HE1 MET A 12 8.175 1.024 -0.033 1.00 0.00 H new ATOM 0 HE2 MET A 12 9.642 1.866 0.520 1.00 0.00 H new ATOM 0 HE3 MET A 12 8.153 1.943 1.491 1.00 0.00 H new ATOM 170 N HIS A 13 11.341 5.702 3.345 1.00 0.00 N ATOM 171 CA HIS A 13 12.781 5.494 3.521 1.00 0.00 C ATOM 172 C HIS A 13 13.440 4.490 2.536 1.00 0.00 C ATOM 173 O HIS A 13 14.517 3.973 2.825 1.00 0.00 O ATOM 174 CB HIS A 13 12.993 5.093 4.992 1.00 0.00 C ATOM 175 CG HIS A 13 12.917 6.255 5.960 1.00 0.00 C ATOM 176 ND1 HIS A 13 13.946 6.696 6.770 1.00 0.00 N ATOM 177 CD2 HIS A 13 11.859 7.097 6.183 1.00 0.00 C ATOM 178 CE1 HIS A 13 13.510 7.756 7.464 1.00 0.00 C ATOM 179 NE2 HIS A 13 12.241 8.035 7.143 1.00 0.00 N ATOM 0 H HIS A 13 10.812 5.428 4.173 1.00 0.00 H new ATOM 0 HA HIS A 13 13.293 6.425 3.276 1.00 0.00 H new ATOM 0 HB2 HIS A 13 12.243 4.352 5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 13 13.967 4.613 5.091 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.895 7.044 5.699 1.00 0.00 H new ATOM 0 HE1 HIS A 13 14.100 8.308 8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 13 11.666 8.786 7.525 1.00 0.00 H new ATOM 187 N CYS A 14 12.779 4.128 1.426 1.00 0.00 N ATOM 188 CA CYS A 14 13.323 3.415 0.255 1.00 0.00 C ATOM 189 C CYS A 14 13.728 1.954 0.473 1.00 0.00 C ATOM 190 O CYS A 14 13.975 1.233 -0.486 1.00 0.00 O ATOM 191 CB CYS A 14 14.514 4.214 -0.290 1.00 0.00 C ATOM 192 SG CYS A 14 13.875 5.566 -1.323 1.00 0.00 S ATOM 0 H CYS A 14 11.787 4.338 1.313 1.00 0.00 H new ATOM 0 HA CYS A 14 12.500 3.353 -0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.110 4.613 0.531 1.00 0.00 H new ATOM 0 HB3 CYS A 14 15.169 3.567 -0.874 1.00 0.00 H new ATOM 0 HG CYS A 14 14.869 6.259 -1.794 1.00 0.00 H new ATOM 198 N LYS A 15 13.865 1.520 1.718 1.00 0.00 N ATOM 199 CA LYS A 15 14.446 0.238 2.104 1.00 0.00 C ATOM 200 C LYS A 15 13.630 -0.298 3.288 1.00 0.00 C ATOM 201 O LYS A 15 12.595 -0.905 3.059 1.00 0.00 O ATOM 202 CB LYS A 15 15.947 0.464 2.395 1.00 0.00 C ATOM 203 CG LYS A 15 16.874 0.748 1.192 1.00 0.00 C ATOM 204 CD LYS A 15 17.370 -0.471 0.391 1.00 0.00 C ATOM 205 CE LYS A 15 16.364 -1.133 -0.565 1.00 0.00 C ATOM 206 NZ LYS A 15 15.938 -0.240 -1.670 1.00 0.00 N ATOM 0 H LYS A 15 13.563 2.072 2.520 1.00 0.00 H new ATOM 0 HA LYS A 15 14.400 -0.521 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.032 1.300 3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.326 -0.419 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.347 1.412 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.746 1.292 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.239 -0.163 -0.191 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.712 -1.226 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.810 -2.034 -0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.486 -1.446 0.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.342 -0.772 -2.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.396 0.559 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.777 0.120 -2.168 1.00 0.00 H new ATOM 220 N SER A 16 13.951 0.022 4.540 1.00 0.00 N ATOM 221 CA SER A 16 13.128 -0.367 5.703 1.00 0.00 C ATOM 222 C SER A 16 11.658 0.074 5.621 1.00 0.00 C ATOM 223 O SER A 16 10.808 -0.647 6.133 1.00 0.00 O ATOM 224 CB SER A 16 13.766 0.210 6.973 1.00 0.00 C ATOM 225 OG SER A 16 14.090 1.582 6.776 1.00 0.00 O ATOM 0 H SER A 16 14.784 0.556 4.785 1.00 0.00 H new ATOM 0 HA SER A 16 13.108 -1.457 5.718 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.080 0.107 7.813 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.665 -0.352 7.225 1.00 0.00 H new ATOM 0 HG SER A 16 14.495 1.943 7.592 1.00 0.00 H new ATOM 231 N CYS A 17 11.302 1.164 4.916 1.00 0.00 N ATOM 232 CA CYS A 17 9.907 1.507 4.696 1.00 0.00 C ATOM 233 C CYS A 17 9.158 0.410 3.944 1.00 0.00 C ATOM 234 O CYS A 17 8.035 0.133 4.334 1.00 0.00 O ATOM 235 CB CYS A 17 9.829 2.890 4.045 1.00 0.00 C ATOM 236 SG CYS A 17 9.543 4.118 5.356 1.00 0.00 S ATOM 0 H CYS A 17 11.967 1.813 4.495 1.00 0.00 H new ATOM 0 HA CYS A 17 9.386 1.571 5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 17 10.753 3.112 3.511 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.022 2.921 3.312 1.00 0.00 H new ATOM 0 HG CYS A 17 10.402 3.938 6.315 1.00 0.00 H new ATOM 242 N VAL A 18 9.787 -0.241 2.967 1.00 0.00 N ATOM 243 CA VAL A 18 9.193 -1.279 2.111 1.00 0.00 C ATOM 244 C VAL A 18 8.558 -2.371 2.990 1.00 0.00 C ATOM 245 O VAL A 18 7.371 -2.663 2.864 1.00 0.00 O ATOM 246 CB VAL A 18 10.294 -1.848 1.167 1.00 0.00 C ATOM 247 CG1 VAL A 18 9.824 -2.957 0.238 1.00 0.00 C ATOM 248 CG2 VAL A 18 10.920 -0.743 0.289 1.00 0.00 C ATOM 0 H VAL A 18 10.763 -0.056 2.737 1.00 0.00 H new ATOM 0 HA VAL A 18 8.401 -0.860 1.490 1.00 0.00 H new ATOM 0 HB VAL A 18 11.026 -2.270 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.657 -3.291 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.453 -3.794 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.025 -2.582 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.683 -1.179 -0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.145 -0.284 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.374 0.015 0.927 1.00 0.00 H new ATOM 258 N SER A 19 9.314 -2.838 3.988 1.00 0.00 N ATOM 259 CA SER A 19 8.891 -3.909 4.905 1.00 0.00 C ATOM 260 C SER A 19 7.791 -3.483 5.900 1.00 0.00 C ATOM 261 O SER A 19 6.907 -4.274 6.248 1.00 0.00 O ATOM 262 CB SER A 19 10.148 -4.452 5.592 1.00 0.00 C ATOM 263 OG SER A 19 9.906 -5.719 6.167 1.00 0.00 O ATOM 0 H SER A 19 10.249 -2.481 4.187 1.00 0.00 H new ATOM 0 HA SER A 19 8.409 -4.701 4.331 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.959 -4.527 4.867 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.474 -3.755 6.364 1.00 0.00 H new ATOM 0 HG SER A 19 10.724 -6.044 6.598 1.00 0.00 H new ATOM 269 N ASN A 20 7.745 -2.201 6.293 1.00 0.00 N ATOM 270 CA ASN A 20 6.580 -1.683 7.019 1.00 0.00 C ATOM 271 C ASN A 20 5.333 -1.723 6.137 1.00 0.00 C ATOM 272 O ASN A 20 4.251 -2.024 6.631 1.00 0.00 O ATOM 273 CB ASN A 20 6.751 -0.227 7.425 1.00 0.00 C ATOM 274 CG ASN A 20 7.860 0.015 8.422 1.00 0.00 C ATOM 275 OD1 ASN A 20 8.785 0.862 8.031 1.00 0.00 O flip ATOM 276 ND2 ASN A 20 7.900 -0.506 9.524 1.00 0.00 N flip ATOM 0 H ASN A 20 8.484 -1.519 6.124 1.00 0.00 H new ATOM 0 HA ASN A 20 6.481 -2.316 7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.946 0.366 6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.813 0.132 7.848 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.170 -1.161 9.805 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.663 -0.287 10.164 1.00 0.00 H new ATOM 283 N ILE A 21 5.464 -1.382 4.848 1.00 0.00 N ATOM 284 CA ILE A 21 4.304 -1.306 3.951 1.00 0.00 C ATOM 285 C ILE A 21 3.731 -2.707 3.713 1.00 0.00 C ATOM 286 O ILE A 21 2.515 -2.850 3.768 1.00 0.00 O ATOM 287 CB ILE A 21 4.585 -0.522 2.644 1.00 0.00 C ATOM 288 CG1 ILE A 21 5.593 0.659 2.810 1.00 0.00 C ATOM 289 CG2 ILE A 21 3.208 -0.106 2.081 1.00 0.00 C ATOM 290 CD1 ILE A 21 5.347 1.884 1.921 1.00 0.00 C ATOM 0 H ILE A 21 6.355 -1.156 4.406 1.00 0.00 H new ATOM 0 HA ILE A 21 3.536 -0.714 4.449 1.00 0.00 H new ATOM 0 HB ILE A 21 5.107 -1.157 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.576 0.981 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 21 6.597 0.285 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.347 0.452 1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.612 -0.997 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.692 0.520 2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.107 2.639 2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.398 1.589 0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.361 2.296 2.135 1.00 0.00 H new ATOM 302 N GLU A 22 4.581 -3.732 3.573 1.00 0.00 N ATOM 303 CA GLU A 22 4.168 -5.140 3.599 1.00 0.00 C ATOM 304 C GLU A 22 3.348 -5.422 4.871 1.00 0.00 C ATOM 305 O GLU A 22 2.215 -5.897 4.809 1.00 0.00 O ATOM 306 CB GLU A 22 5.422 -6.038 3.594 1.00 0.00 C ATOM 307 CG GLU A 22 6.188 -6.056 2.270 1.00 0.00 C ATOM 308 CD GLU A 22 7.634 -6.533 2.465 1.00 0.00 C ATOM 309 OE1 GLU A 22 7.804 -7.694 2.889 1.00 0.00 O ATOM 310 OE2 GLU A 22 8.565 -5.717 2.272 1.00 0.00 O ATOM 0 H GLU A 22 5.584 -3.606 3.437 1.00 0.00 H new ATOM 0 HA GLU A 22 3.556 -5.351 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.095 -5.704 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.124 -7.057 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.680 -6.711 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.189 -5.057 1.835 1.00 0.00 H new ATOM 317 N SER A 23 3.908 -5.087 6.032 1.00 0.00 N ATOM 318 CA SER A 23 3.355 -5.480 7.332 1.00 0.00 C ATOM 319 C SER A 23 2.050 -4.780 7.731 1.00 0.00 C ATOM 320 O SER A 23 1.113 -5.435 8.193 1.00 0.00 O ATOM 321 CB SER A 23 4.413 -5.220 8.413 1.00 0.00 C ATOM 322 OG SER A 23 5.616 -5.923 8.147 1.00 0.00 O ATOM 0 H SER A 23 4.762 -4.533 6.100 1.00 0.00 H new ATOM 0 HA SER A 23 3.100 -6.536 7.240 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.621 -4.151 8.470 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.022 -5.521 9.385 1.00 0.00 H new ATOM 0 HG SER A 23 6.145 -5.428 7.487 1.00 0.00 H new ATOM 328 N THR A 24 1.989 -3.454 7.568 1.00 0.00 N ATOM 329 CA THR A 24 0.837 -2.614 7.919 1.00 0.00 C ATOM 330 C THR A 24 -0.336 -2.878 6.994 1.00 0.00 C ATOM 331 O THR A 24 -1.483 -2.828 7.427 1.00 0.00 O ATOM 332 CB THR A 24 1.250 -1.133 7.922 1.00 0.00 C ATOM 333 OG1 THR A 24 2.214 -0.988 8.937 1.00 0.00 O ATOM 334 CG2 THR A 24 0.095 -0.187 8.255 1.00 0.00 C ATOM 0 H THR A 24 2.764 -2.918 7.176 1.00 0.00 H new ATOM 0 HA THR A 24 0.505 -2.872 8.925 1.00 0.00 H new ATOM 0 HB THR A 24 1.610 -0.876 6.926 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.095 -1.242 8.590 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.452 0.843 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.698 -0.306 7.516 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.294 -0.422 9.246 1.00 0.00 H new ATOM 342 N LEU A 25 -0.065 -3.153 5.717 1.00 0.00 N ATOM 343 CA LEU A 25 -1.094 -3.545 4.764 1.00 0.00 C ATOM 344 C LEU A 25 -1.537 -4.990 4.950 1.00 0.00 C ATOM 345 O LEU A 25 -2.735 -5.213 5.055 1.00 0.00 O ATOM 346 CB LEU A 25 -0.626 -3.282 3.330 1.00 0.00 C ATOM 347 CG LEU A 25 -0.586 -1.806 2.870 1.00 0.00 C ATOM 348 CD1 LEU A 25 -1.906 -1.456 2.175 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.294 -0.765 3.970 1.00 0.00 C ATOM 0 H LEU A 25 0.873 -3.109 5.319 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.971 -2.927 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.374 -3.700 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.280 -3.831 2.653 1.00 0.00 H new ATOM 0 HG LEU A 25 0.265 -1.744 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.881 -0.416 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.044 -2.104 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.733 -1.599 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.290 0.234 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.065 -0.822 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.679 -0.970 4.416 1.00 0.00 H new ATOM 361 N SER A 26 -0.631 -5.974 5.017 1.00 0.00 N ATOM 362 CA SER A 26 -1.017 -7.404 5.033 1.00 0.00 C ATOM 363 C SER A 26 -1.649 -7.866 6.363 1.00 0.00 C ATOM 364 O SER A 26 -1.824 -9.066 6.598 1.00 0.00 O ATOM 365 CB SER A 26 0.184 -8.293 4.686 1.00 0.00 C ATOM 366 OG SER A 26 -0.233 -9.639 4.526 1.00 0.00 O ATOM 0 H SER A 26 0.375 -5.813 5.061 1.00 0.00 H new ATOM 0 HA SER A 26 -1.790 -7.509 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.655 -7.939 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.934 -8.228 5.475 1.00 0.00 H new ATOM 0 HG SER A 26 -0.878 -9.867 5.228 1.00 0.00 H new ATOM 372 N ALA A 27 -1.984 -6.917 7.232 1.00 0.00 N ATOM 373 CA ALA A 27 -2.700 -7.130 8.481 1.00 0.00 C ATOM 374 C ALA A 27 -4.166 -6.682 8.378 1.00 0.00 C ATOM 375 O ALA A 27 -4.936 -6.902 9.315 1.00 0.00 O ATOM 376 CB ALA A 27 -1.954 -6.353 9.575 1.00 0.00 C ATOM 0 H ALA A 27 -1.753 -5.936 7.076 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.727 -8.193 8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.463 -6.489 10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.932 -6.724 9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.937 -5.293 9.321 1.00 0.00 H new ATOM 382 N LEU A 28 -4.571 -6.026 7.279 1.00 0.00 N ATOM 383 CA LEU A 28 -5.886 -5.408 7.184 1.00 0.00 C ATOM 384 C LEU A 28 -6.945 -6.493 6.968 1.00 0.00 C ATOM 385 O LEU A 28 -6.827 -7.293 6.040 1.00 0.00 O ATOM 386 CB LEU A 28 -5.893 -4.368 6.050 1.00 0.00 C ATOM 387 CG LEU A 28 -4.890 -3.208 6.231 1.00 0.00 C ATOM 388 CD1 LEU A 28 -4.642 -2.451 4.919 1.00 0.00 C ATOM 389 CD2 LEU A 28 -5.396 -2.207 7.266 1.00 0.00 C ATOM 0 H LEU A 28 -3.996 -5.914 6.444 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.122 -4.886 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.676 -4.875 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.897 -3.952 5.963 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.957 -3.661 6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.930 -1.644 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.238 -3.137 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.582 -2.034 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.672 -1.400 7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.351 -1.796 6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.527 -2.709 8.224 1.00 0.00 H new ATOM 401 N GLN A 29 -8.016 -6.503 7.764 1.00 0.00 N ATOM 402 CA GLN A 29 -9.001 -7.596 7.772 1.00 0.00 C ATOM 403 C GLN A 29 -9.662 -7.842 6.406 1.00 0.00 C ATOM 404 O GLN A 29 -10.170 -8.933 6.174 1.00 0.00 O ATOM 405 CB GLN A 29 -10.090 -7.341 8.833 1.00 0.00 C ATOM 406 CG GLN A 29 -9.591 -7.280 10.291 1.00 0.00 C ATOM 407 CD GLN A 29 -9.216 -5.874 10.769 1.00 0.00 C ATOM 408 OE1 GLN A 29 -8.726 -5.038 10.027 1.00 0.00 O ATOM 409 NE2 GLN A 29 -9.443 -5.542 12.023 1.00 0.00 N ATOM 0 H GLN A 29 -8.229 -5.754 8.423 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.439 -8.497 8.020 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.589 -6.401 8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -10.840 -8.128 8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.366 -7.679 10.945 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.722 -7.930 10.393 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.852 -6.222 12.664 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.210 -4.605 12.353 1.00 0.00 H new ATOM 418 N TYR A 30 -9.641 -6.861 5.497 1.00 0.00 N ATOM 419 CA TYR A 30 -10.112 -7.007 4.121 1.00 0.00 C ATOM 420 C TYR A 30 -9.055 -7.418 3.082 1.00 0.00 C ATOM 421 O TYR A 30 -9.457 -7.673 1.951 1.00 0.00 O ATOM 422 CB TYR A 30 -10.785 -5.699 3.672 1.00 0.00 C ATOM 423 CG TYR A 30 -10.079 -4.389 4.021 1.00 0.00 C ATOM 424 CD1 TYR A 30 -8.720 -4.164 3.707 1.00 0.00 C ATOM 425 CD2 TYR A 30 -10.804 -3.372 4.679 1.00 0.00 C ATOM 426 CE1 TYR A 30 -8.123 -2.931 4.004 1.00 0.00 C ATOM 427 CE2 TYR A 30 -10.193 -2.146 5.012 1.00 0.00 C ATOM 428 CZ TYR A 30 -8.843 -1.919 4.673 1.00 0.00 C ATOM 429 OH TYR A 30 -8.241 -0.744 5.008 1.00 0.00 O ATOM 0 H TYR A 30 -9.289 -5.926 5.704 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.811 -7.842 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.908 -5.738 2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.785 -5.669 4.105 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.140 -4.944 3.237 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -11.841 -3.536 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.097 -2.753 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.758 -1.382 5.526 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.887 -0.163 5.462 1.00 0.00 H new ATOM 439 N VAL A 31 -7.744 -7.427 3.360 1.00 0.00 N ATOM 440 CA VAL A 31 -6.732 -7.658 2.311 1.00 0.00 C ATOM 441 C VAL A 31 -6.426 -9.159 2.200 1.00 0.00 C ATOM 442 O VAL A 31 -6.407 -9.875 3.193 1.00 0.00 O ATOM 443 CB VAL A 31 -5.487 -6.745 2.430 1.00 0.00 C ATOM 444 CG1 VAL A 31 -4.547 -7.176 3.510 1.00 0.00 C ATOM 445 CG2 VAL A 31 -4.627 -6.670 1.158 1.00 0.00 C ATOM 0 H VAL A 31 -7.358 -7.279 4.293 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.156 -7.349 1.356 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.936 -5.775 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.695 -6.497 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.063 -7.158 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.197 -8.188 3.305 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.778 -6.009 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.266 -7.666 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.227 -6.281 0.335 1.00 0.00 H new ATOM 455 N SER A 32 -6.234 -9.638 0.975 1.00 0.00 N ATOM 456 CA SER A 32 -5.953 -11.040 0.637 1.00 0.00 C ATOM 457 C SER A 32 -4.445 -11.278 0.445 1.00 0.00 C ATOM 458 O SER A 32 -3.928 -12.356 0.737 1.00 0.00 O ATOM 459 CB SER A 32 -6.713 -11.348 -0.662 1.00 0.00 C ATOM 460 OG SER A 32 -6.592 -12.689 -1.078 1.00 0.00 O ATOM 0 H SER A 32 -6.270 -9.038 0.151 1.00 0.00 H new ATOM 0 HA SER A 32 -6.275 -11.695 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.768 -11.113 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.344 -10.695 -1.453 1.00 0.00 H new ATOM 0 HG SER A 32 -6.534 -12.724 -2.056 1.00 0.00 H new ATOM 466 N SER A 33 -3.709 -10.263 -0.021 1.00 0.00 N ATOM 467 CA SER A 33 -2.318 -10.362 -0.468 1.00 0.00 C ATOM 468 C SER A 33 -1.705 -9.006 -0.847 1.00 0.00 C ATOM 469 O SER A 33 -2.369 -7.973 -0.928 1.00 0.00 O ATOM 470 CB SER A 33 -2.231 -11.347 -1.643 1.00 0.00 C ATOM 471 OG SER A 33 -2.053 -12.657 -1.153 1.00 0.00 O ATOM 0 H SER A 33 -4.081 -9.316 -0.099 1.00 0.00 H new ATOM 0 HA SER A 33 -1.730 -10.730 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.139 -11.293 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.401 -11.077 -2.296 1.00 0.00 H new ATOM 0 HG SER A 33 -2.555 -12.765 -0.318 1.00 0.00 H new ATOM 477 N ILE A 34 -0.406 -9.018 -1.117 1.00 0.00 N ATOM 478 CA ILE A 34 0.451 -7.847 -1.347 1.00 0.00 C ATOM 479 C ILE A 34 1.821 -8.259 -1.904 1.00 0.00 C ATOM 480 O ILE A 34 2.310 -9.349 -1.626 1.00 0.00 O ATOM 481 CB ILE A 34 0.583 -6.987 -0.054 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.361 -5.674 -0.312 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.229 -7.766 1.109 1.00 0.00 C ATOM 484 CD1 ILE A 34 1.172 -4.622 0.783 1.00 0.00 C ATOM 0 H ILE A 34 0.114 -9.893 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.027 -7.224 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.435 -6.733 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.423 -5.903 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.042 -5.254 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.297 -7.121 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.619 -8.637 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.228 -8.091 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.747 -3.730 0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.116 -4.363 0.861 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.518 -5.022 1.736 1.00 0.00 H new ATOM 496 N VAL A 35 2.406 -7.358 -2.689 1.00 0.00 N ATOM 497 CA VAL A 35 3.794 -7.318 -3.178 1.00 0.00 C ATOM 498 C VAL A 35 4.223 -5.852 -3.135 1.00 0.00 C ATOM 499 O VAL A 35 3.392 -4.962 -3.313 1.00 0.00 O ATOM 500 CB VAL A 35 3.910 -7.871 -4.621 1.00 0.00 C ATOM 501 CG1 VAL A 35 5.209 -7.487 -5.358 1.00 0.00 C ATOM 502 CG2 VAL A 35 3.839 -9.403 -4.596 1.00 0.00 C ATOM 0 H VAL A 35 1.875 -6.559 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 35 4.434 -7.945 -2.556 1.00 0.00 H new ATOM 0 HB VAL A 35 3.079 -7.418 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.201 -7.918 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.279 -6.402 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.067 -7.869 -4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.921 -9.788 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.657 -9.795 -3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.888 -9.716 -4.165 1.00 0.00 H new ATOM 512 N VAL A 36 5.509 -5.584 -2.931 1.00 0.00 N ATOM 513 CA VAL A 36 6.045 -4.216 -2.929 1.00 0.00 C ATOM 514 C VAL A 36 7.397 -4.162 -3.651 1.00 0.00 C ATOM 515 O VAL A 36 8.156 -5.132 -3.653 1.00 0.00 O ATOM 516 CB VAL A 36 6.086 -3.666 -1.483 1.00 0.00 C ATOM 517 CG1 VAL A 36 7.057 -4.481 -0.630 1.00 0.00 C ATOM 518 CG2 VAL A 36 6.385 -2.161 -1.382 1.00 0.00 C ATOM 0 H VAL A 36 6.212 -6.303 -2.762 1.00 0.00 H new ATOM 0 HA VAL A 36 5.383 -3.558 -3.492 1.00 0.00 H new ATOM 0 HB VAL A 36 5.075 -3.779 -1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.074 -4.081 0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.734 -5.522 -0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.057 -4.422 -1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.395 -1.861 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.357 -1.953 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.615 -1.601 -1.912 1.00 0.00 H new ATOM 528 N SER A 37 7.663 -3.029 -4.295 1.00 0.00 N ATOM 529 CA SER A 37 8.934 -2.717 -4.943 1.00 0.00 C ATOM 530 C SER A 37 10.054 -2.476 -3.928 1.00 0.00 C ATOM 531 O SER A 37 9.876 -1.792 -2.922 1.00 0.00 O ATOM 532 CB SER A 37 8.787 -1.442 -5.775 1.00 0.00 C ATOM 533 OG SER A 37 8.211 -1.689 -7.044 1.00 0.00 O ATOM 0 H SER A 37 6.978 -2.278 -4.383 1.00 0.00 H new ATOM 0 HA SER A 37 9.193 -3.575 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.170 -0.726 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.767 -0.983 -5.907 1.00 0.00 H new ATOM 0 HG SER A 37 8.916 -1.925 -7.683 1.00 0.00 H new ATOM 539 N LEU A 38 11.255 -2.956 -4.246 1.00 0.00 N ATOM 540 CA LEU A 38 12.487 -2.637 -3.516 1.00 0.00 C ATOM 541 C LEU A 38 13.310 -1.556 -4.230 1.00 0.00 C ATOM 542 O LEU A 38 14.152 -0.901 -3.615 1.00 0.00 O ATOM 543 CB LEU A 38 13.303 -3.937 -3.360 1.00 0.00 C ATOM 544 CG LEU A 38 13.296 -4.478 -1.919 1.00 0.00 C ATOM 545 CD1 LEU A 38 13.891 -5.890 -1.877 1.00 0.00 C ATOM 546 CD2 LEU A 38 14.111 -3.564 -0.993 1.00 0.00 C ATOM 0 H LEU A 38 11.405 -3.589 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 38 12.231 -2.233 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.899 -4.696 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.332 -3.754 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 38 12.262 -4.507 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.879 -6.259 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.299 -6.553 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.918 -5.863 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.093 -3.964 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.141 -3.514 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.678 -2.564 -0.996 1.00 0.00 H new ATOM 558 N GLU A 39 13.107 -1.430 -5.535 1.00 0.00 N ATOM 559 CA GLU A 39 13.749 -0.572 -6.501 1.00 0.00 C ATOM 560 C GLU A 39 12.980 0.735 -6.747 1.00 0.00 C ATOM 561 O GLU A 39 13.579 1.803 -6.845 1.00 0.00 O ATOM 562 CB GLU A 39 13.950 -1.432 -7.744 1.00 0.00 C ATOM 563 CG GLU A 39 12.791 -1.814 -8.671 1.00 0.00 C ATOM 564 CD GLU A 39 11.493 -2.289 -8.014 1.00 0.00 C ATOM 565 OE1 GLU A 39 11.546 -3.064 -7.037 1.00 0.00 O ATOM 566 OE2 GLU A 39 10.424 -1.763 -8.393 1.00 0.00 O ATOM 0 H GLU A 39 12.397 -2.004 -5.990 1.00 0.00 H new ATOM 0 HA GLU A 39 14.711 -0.208 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.689 -0.922 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.403 -2.365 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.558 -0.950 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.139 -2.602 -9.339 1.00 0.00 H new ATOM 573 N ASN A 40 11.650 0.645 -6.795 1.00 0.00 N ATOM 574 CA ASN A 40 10.711 1.775 -6.779 1.00 0.00 C ATOM 575 C ASN A 40 10.165 2.017 -5.357 1.00 0.00 C ATOM 576 O ASN A 40 10.555 1.341 -4.409 1.00 0.00 O ATOM 577 CB ASN A 40 9.586 1.572 -7.805 1.00 0.00 C ATOM 578 CG ASN A 40 10.183 1.794 -9.171 1.00 0.00 C ATOM 579 OD1 ASN A 40 10.304 2.919 -9.633 1.00 0.00 O ATOM 580 ND2 ASN A 40 10.711 0.758 -9.770 1.00 0.00 N ATOM 0 H ASN A 40 11.174 -0.256 -6.848 1.00 0.00 H new ATOM 0 HA ASN A 40 11.252 2.675 -7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.170 0.568 -7.726 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.769 2.271 -7.624 1.00 0.00 H new ATOM 0 HD21 ASN A 40 11.234 0.882 -10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.600 -0.174 -9.370 1.00 0.00 H new ATOM 587 N ARG A 41 9.251 2.984 -5.193 1.00 0.00 N ATOM 588 CA ARG A 41 8.590 3.315 -3.916 1.00 0.00 C ATOM 589 C ARG A 41 7.088 2.972 -3.944 1.00 0.00 C ATOM 590 O ARG A 41 6.245 3.782 -3.562 1.00 0.00 O ATOM 591 CB ARG A 41 8.856 4.794 -3.557 1.00 0.00 C ATOM 592 CG ARG A 41 10.300 5.091 -3.173 1.00 0.00 C ATOM 593 CD ARG A 41 11.044 5.706 -4.338 1.00 0.00 C ATOM 594 NE ARG A 41 10.858 7.166 -4.434 1.00 0.00 N ATOM 595 CZ ARG A 41 11.392 7.947 -5.361 1.00 0.00 C ATOM 596 NH1 ARG A 41 12.152 7.445 -6.317 1.00 0.00 N ATOM 597 NH2 ARG A 41 11.161 9.240 -5.337 1.00 0.00 N ATOM 0 H ARG A 41 8.941 3.575 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 41 9.019 2.697 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.582 5.418 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.206 5.079 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.323 5.770 -2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.796 4.172 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.107 5.486 -4.240 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.707 5.241 -5.264 1.00 0.00 H new ATOM 0 HE ARG A 41 10.270 7.611 -3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.335 6.442 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.556 8.060 -7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.572 9.639 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.571 9.845 -6.049 1.00 0.00 H new ATOM 611 N SER A 42 6.715 1.800 -4.462 1.00 0.00 N ATOM 612 CA SER A 42 5.318 1.445 -4.759 1.00 0.00 C ATOM 613 C SER A 42 4.938 0.023 -4.349 1.00 0.00 C ATOM 614 O SER A 42 5.770 -0.879 -4.340 1.00 0.00 O ATOM 615 CB SER A 42 5.032 1.580 -6.264 1.00 0.00 C ATOM 616 OG SER A 42 6.135 1.187 -7.070 1.00 0.00 O ATOM 0 H SER A 42 7.379 1.060 -4.691 1.00 0.00 H new ATOM 0 HA SER A 42 4.722 2.142 -4.170 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.165 0.972 -6.521 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.773 2.615 -6.489 1.00 0.00 H new ATOM 0 HG SER A 42 5.902 1.290 -8.016 1.00 0.00 H new ATOM 622 N ALA A 43 3.646 -0.178 -4.080 1.00 0.00 N ATOM 623 CA ALA A 43 3.049 -1.424 -3.613 1.00 0.00 C ATOM 624 C ALA A 43 1.878 -1.855 -4.508 1.00 0.00 C ATOM 625 O ALA A 43 1.047 -1.040 -4.911 1.00 0.00 O ATOM 626 CB ALA A 43 2.584 -1.211 -2.165 1.00 0.00 C ATOM 0 H ALA A 43 2.955 0.565 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 43 3.787 -2.225 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.132 -2.129 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.439 -0.946 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.850 -0.406 -2.133 1.00 0.00 H new ATOM 632 N ILE A 44 1.782 -3.157 -4.770 1.00 0.00 N ATOM 633 CA ILE A 44 0.663 -3.810 -5.455 1.00 0.00 C ATOM 634 C ILE A 44 -0.044 -4.635 -4.384 1.00 0.00 C ATOM 635 O ILE A 44 0.556 -5.536 -3.792 1.00 0.00 O ATOM 636 CB ILE A 44 1.176 -4.651 -6.643 1.00 0.00 C ATOM 637 CG1 ILE A 44 1.848 -3.729 -7.692 1.00 0.00 C ATOM 638 CG2 ILE A 44 0.008 -5.435 -7.268 1.00 0.00 C ATOM 639 CD1 ILE A 44 2.593 -4.488 -8.798 1.00 0.00 C ATOM 0 H ILE A 44 2.512 -3.816 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.037 -3.101 -5.897 1.00 0.00 H new ATOM 0 HB ILE A 44 1.920 -5.364 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.086 -3.097 -8.148 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.549 -3.066 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.375 -6.027 -8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.428 -6.097 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.751 -4.737 -7.621 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.036 -3.775 -9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.379 -5.099 -8.354 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.894 -5.130 -9.333 1.00 0.00 H new ATOM 651 N VAL A 45 -1.292 -4.285 -4.095 1.00 0.00 N ATOM 652 CA VAL A 45 -2.051 -4.764 -2.937 1.00 0.00 C ATOM 653 C VAL A 45 -3.335 -5.424 -3.443 1.00 0.00 C ATOM 654 O VAL A 45 -4.020 -4.846 -4.283 1.00 0.00 O ATOM 655 CB VAL A 45 -2.407 -3.587 -2.014 1.00 0.00 C ATOM 656 CG1 VAL A 45 -2.980 -4.112 -0.691 1.00 0.00 C ATOM 657 CG2 VAL A 45 -1.213 -2.664 -1.699 1.00 0.00 C ATOM 0 H VAL A 45 -1.824 -3.639 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.453 -5.480 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.143 -2.994 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.229 -3.271 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.879 -4.696 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.240 -4.742 -0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.540 -1.857 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.430 -3.238 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.824 -2.243 -2.626 1.00 0.00 H new ATOM 667 N VAL A 46 -3.655 -6.610 -2.937 1.00 0.00 N ATOM 668 CA VAL A 46 -4.712 -7.510 -3.415 1.00 0.00 C ATOM 669 C VAL A 46 -5.719 -7.688 -2.272 1.00 0.00 C ATOM 670 O VAL A 46 -5.352 -8.253 -1.251 1.00 0.00 O ATOM 671 CB VAL A 46 -4.075 -8.877 -3.778 1.00 0.00 C ATOM 672 CG1 VAL A 46 -5.067 -9.913 -4.315 1.00 0.00 C ATOM 673 CG2 VAL A 46 -2.866 -8.761 -4.731 1.00 0.00 C ATOM 0 H VAL A 46 -3.157 -6.997 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.211 -7.106 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.715 -9.244 -2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.538 -10.839 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.832 -10.108 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.538 -9.531 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.472 -9.755 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.181 -8.291 -5.663 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.091 -8.155 -4.263 1.00 0.00 H new ATOM 683 N TYR A 47 -6.960 -7.206 -2.375 1.00 0.00 N ATOM 684 CA TYR A 47 -7.933 -7.183 -1.264 1.00 0.00 C ATOM 685 C TYR A 47 -9.314 -7.748 -1.646 1.00 0.00 C ATOM 686 O TYR A 47 -9.752 -7.647 -2.789 1.00 0.00 O ATOM 687 CB TYR A 47 -8.061 -5.755 -0.705 1.00 0.00 C ATOM 688 CG TYR A 47 -8.807 -4.811 -1.629 1.00 0.00 C ATOM 689 CD1 TYR A 47 -8.162 -4.289 -2.764 1.00 0.00 C ATOM 690 CD2 TYR A 47 -10.169 -4.528 -1.404 1.00 0.00 C ATOM 691 CE1 TYR A 47 -8.872 -3.518 -3.697 1.00 0.00 C ATOM 692 CE2 TYR A 47 -10.894 -3.773 -2.345 1.00 0.00 C ATOM 693 CZ TYR A 47 -10.258 -3.304 -3.512 1.00 0.00 C ATOM 694 OH TYR A 47 -11.012 -2.741 -4.493 1.00 0.00 O ATOM 0 H TYR A 47 -7.329 -6.814 -3.241 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.543 -7.845 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.575 -5.793 0.255 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.064 -5.356 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.111 -4.483 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.656 -4.890 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.364 -3.091 -4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.937 -3.553 -2.173 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.951 -2.995 -4.371 1.00 0.00 H new ATOM 704 N ASN A 48 -10.041 -8.319 -0.683 1.00 0.00 N ATOM 705 CA ASN A 48 -11.278 -9.053 -0.932 1.00 0.00 C ATOM 706 C ASN A 48 -12.514 -8.157 -0.762 1.00 0.00 C ATOM 707 O ASN A 48 -12.880 -7.777 0.352 1.00 0.00 O ATOM 708 CB ASN A 48 -11.329 -10.274 -0.003 1.00 0.00 C ATOM 709 CG ASN A 48 -12.554 -11.137 -0.282 1.00 0.00 C ATOM 710 OD1 ASN A 48 -12.501 -12.078 -1.051 1.00 0.00 O ATOM 711 ND2 ASN A 48 -13.700 -10.823 0.295 1.00 0.00 N ATOM 0 H ASN A 48 -9.782 -8.283 0.303 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.289 -9.393 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.426 -10.870 -0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.345 -9.942 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.538 -11.369 0.095 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.747 -10.034 0.940 1.00 0.00 H new ATOM 718 N ALA A 49 -13.184 -7.875 -1.880 1.00 0.00 N ATOM 719 CA ALA A 49 -14.412 -7.095 -1.989 1.00 0.00 C ATOM 720 C ALA A 49 -14.921 -7.181 -3.431 1.00 0.00 C ATOM 721 O ALA A 49 -14.125 -7.160 -4.361 1.00 0.00 O ATOM 722 CB ALA A 49 -14.137 -5.630 -1.613 1.00 0.00 C ATOM 0 H ALA A 49 -12.861 -8.207 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.165 -7.491 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.058 -5.054 -1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -13.770 -5.580 -0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -13.388 -5.216 -2.287 1.00 0.00 H new ATOM 728 N SER A 50 -16.233 -7.174 -3.639 1.00 0.00 N ATOM 729 CA SER A 50 -16.826 -7.140 -4.985 1.00 0.00 C ATOM 730 C SER A 50 -16.769 -5.735 -5.614 1.00 0.00 C ATOM 731 O SER A 50 -17.376 -5.491 -6.650 1.00 0.00 O ATOM 732 CB SER A 50 -18.286 -7.622 -4.910 1.00 0.00 C ATOM 733 OG SER A 50 -18.430 -8.773 -4.086 1.00 0.00 O ATOM 0 H SER A 50 -16.920 -7.192 -2.886 1.00 0.00 H new ATOM 0 HA SER A 50 -16.241 -7.802 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.913 -6.819 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 50 -18.644 -7.849 -5.914 1.00 0.00 H new ATOM 0 HG SER A 50 -19.371 -9.044 -4.065 1.00 0.00 H new ATOM 739 N SER A 51 -16.075 -4.789 -4.972 1.00 0.00 N ATOM 740 CA SER A 51 -16.100 -3.371 -5.311 1.00 0.00 C ATOM 741 C SER A 51 -14.686 -2.801 -5.508 1.00 0.00 C ATOM 742 O SER A 51 -13.806 -2.982 -4.660 1.00 0.00 O ATOM 743 CB SER A 51 -16.788 -2.563 -4.196 1.00 0.00 C ATOM 744 OG SER A 51 -18.135 -2.964 -4.005 1.00 0.00 O ATOM 0 H SER A 51 -15.465 -4.999 -4.182 1.00 0.00 H new ATOM 0 HA SER A 51 -16.653 -3.284 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 51 -16.237 -2.688 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.757 -1.502 -4.445 1.00 0.00 H new ATOM 0 HG SER A 51 -18.537 -2.430 -3.288 1.00 0.00 H new ATOM 750 N VAL A 52 -14.483 -2.042 -6.591 1.00 0.00 N ATOM 751 CA VAL A 52 -13.271 -1.237 -6.804 1.00 0.00 C ATOM 752 C VAL A 52 -13.307 -0.056 -5.825 1.00 0.00 C ATOM 753 O VAL A 52 -13.940 0.964 -6.090 1.00 0.00 O ATOM 754 CB VAL A 52 -13.125 -0.767 -8.273 1.00 0.00 C ATOM 755 CG1 VAL A 52 -11.855 0.081 -8.475 1.00 0.00 C ATOM 756 CG2 VAL A 52 -13.071 -1.972 -9.226 1.00 0.00 C ATOM 0 H VAL A 52 -15.159 -1.967 -7.351 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.391 -1.851 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 52 -13.998 -0.155 -8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.787 0.392 -9.517 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.901 0.963 -7.836 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.977 -0.511 -8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.968 -1.620 -10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.217 -2.600 -8.971 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.989 -2.552 -9.132 1.00 0.00 H new ATOM 766 N THR A 53 -12.635 -0.236 -4.683 1.00 0.00 N ATOM 767 CA THR A 53 -12.539 0.709 -3.560 1.00 0.00 C ATOM 768 C THR A 53 -11.077 0.757 -3.089 1.00 0.00 C ATOM 769 O THR A 53 -10.779 0.310 -1.983 1.00 0.00 O ATOM 770 CB THR A 53 -13.495 0.307 -2.421 1.00 0.00 C ATOM 771 OG1 THR A 53 -14.774 0.041 -2.943 1.00 0.00 O ATOM 772 CG2 THR A 53 -13.669 1.428 -1.392 1.00 0.00 C ATOM 0 H THR A 53 -12.113 -1.094 -4.505 1.00 0.00 H new ATOM 0 HA THR A 53 -12.842 1.705 -3.882 1.00 0.00 H new ATOM 0 HB THR A 53 -13.057 -0.569 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.378 -0.216 -2.215 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.351 1.099 -0.608 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.702 1.672 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 53 -14.078 2.311 -1.882 1.00 0.00 H new ATOM 780 N PRO A 54 -10.141 1.258 -3.920 1.00 0.00 N ATOM 781 CA PRO A 54 -8.709 1.218 -3.625 1.00 0.00 C ATOM 782 C PRO A 54 -8.312 2.126 -2.452 1.00 0.00 C ATOM 783 O PRO A 54 -7.284 1.890 -1.819 1.00 0.00 O ATOM 784 CB PRO A 54 -8.036 1.659 -4.931 1.00 0.00 C ATOM 785 CG PRO A 54 -9.069 2.579 -5.578 1.00 0.00 C ATOM 786 CD PRO A 54 -10.379 1.891 -5.211 1.00 0.00 C ATOM 0 HA PRO A 54 -8.399 0.222 -3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.098 2.181 -4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.803 0.807 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.016 3.594 -5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -8.933 2.650 -6.657 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.196 2.610 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.659 1.154 -5.963 1.00 0.00 H new ATOM 794 N GLU A 55 -9.124 3.147 -2.148 1.00 0.00 N ATOM 795 CA GLU A 55 -8.807 4.186 -1.167 1.00 0.00 C ATOM 796 C GLU A 55 -8.573 3.648 0.254 1.00 0.00 C ATOM 797 O GLU A 55 -7.771 4.219 0.987 1.00 0.00 O ATOM 798 CB GLU A 55 -9.931 5.236 -1.165 1.00 0.00 C ATOM 799 CG GLU A 55 -9.870 6.182 -2.378 1.00 0.00 C ATOM 800 CD GLU A 55 -8.678 7.139 -2.298 1.00 0.00 C ATOM 801 OE1 GLU A 55 -8.494 7.779 -1.243 1.00 0.00 O ATOM 802 OE2 GLU A 55 -7.881 7.226 -3.255 1.00 0.00 O ATOM 0 H GLU A 55 -10.036 3.274 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.861 4.635 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.895 4.728 -1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.871 5.824 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.802 5.594 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.794 6.757 -2.436 1.00 0.00 H new ATOM 809 N SER A 56 -9.182 2.533 0.668 1.00 0.00 N ATOM 810 CA SER A 56 -8.920 1.977 2.006 1.00 0.00 C ATOM 811 C SER A 56 -7.455 1.563 2.199 1.00 0.00 C ATOM 812 O SER A 56 -6.851 1.815 3.246 1.00 0.00 O ATOM 813 CB SER A 56 -9.835 0.777 2.262 1.00 0.00 C ATOM 814 OG SER A 56 -9.700 -0.237 1.274 1.00 0.00 O ATOM 0 H SER A 56 -9.850 2.002 0.109 1.00 0.00 H new ATOM 0 HA SER A 56 -9.129 2.768 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.610 0.356 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.871 1.115 2.291 1.00 0.00 H new ATOM 0 HG SER A 56 -10.303 -0.980 1.484 1.00 0.00 H new ATOM 820 N LEU A 57 -6.862 0.965 1.167 1.00 0.00 N ATOM 821 CA LEU A 57 -5.463 0.555 1.169 1.00 0.00 C ATOM 822 C LEU A 57 -4.529 1.766 1.129 1.00 0.00 C ATOM 823 O LEU A 57 -3.626 1.846 1.954 1.00 0.00 O ATOM 824 CB LEU A 57 -5.202 -0.372 -0.016 1.00 0.00 C ATOM 825 CG LEU A 57 -6.163 -1.570 -0.180 1.00 0.00 C ATOM 826 CD1 LEU A 57 -5.758 -2.351 -1.433 1.00 0.00 C ATOM 827 CD2 LEU A 57 -6.197 -2.498 1.040 1.00 0.00 C ATOM 0 H LEU A 57 -7.348 0.750 0.296 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.258 0.018 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.240 0.223 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.187 -0.759 0.071 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.173 -1.173 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.427 -3.201 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.824 -1.700 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.734 -2.708 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.892 -3.317 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.200 -2.902 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.523 -1.936 1.915 1.00 0.00 H new ATOM 839 N ARG A 58 -4.780 2.749 0.255 1.00 0.00 N ATOM 840 CA ARG A 58 -4.058 4.024 0.209 1.00 0.00 C ATOM 841 C ARG A 58 -3.965 4.673 1.591 1.00 0.00 C ATOM 842 O ARG A 58 -2.874 4.961 2.081 1.00 0.00 O ATOM 843 CB ARG A 58 -4.787 4.956 -0.765 1.00 0.00 C ATOM 844 CG ARG A 58 -4.127 6.336 -0.832 1.00 0.00 C ATOM 845 CD ARG A 58 -5.073 7.429 -0.321 1.00 0.00 C ATOM 846 NE ARG A 58 -5.748 8.076 -1.434 1.00 0.00 N ATOM 847 CZ ARG A 58 -5.276 9.023 -2.213 1.00 0.00 C ATOM 848 NH1 ARG A 58 -4.163 9.686 -1.934 1.00 0.00 N ATOM 849 NH2 ARG A 58 -5.973 9.267 -3.295 1.00 0.00 N ATOM 0 H ARG A 58 -5.508 2.677 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.038 3.841 -0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.796 4.508 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.826 5.065 -0.455 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.214 6.334 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.837 6.554 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.809 6.995 0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.511 8.167 0.251 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.697 7.758 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.638 9.468 -1.087 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.831 10.414 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.822 8.735 -3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.667 9.989 -3.947 1.00 0.00 H new ATOM 863 N LYS A 59 -5.108 4.886 2.242 1.00 0.00 N ATOM 864 CA LYS A 59 -5.181 5.436 3.584 1.00 0.00 C ATOM 865 C LYS A 59 -4.447 4.585 4.640 1.00 0.00 C ATOM 866 O LYS A 59 -3.888 5.169 5.565 1.00 0.00 O ATOM 867 CB LYS A 59 -6.659 5.657 3.912 1.00 0.00 C ATOM 868 CG LYS A 59 -7.339 6.718 3.026 1.00 0.00 C ATOM 869 CD LYS A 59 -6.593 8.048 2.888 1.00 0.00 C ATOM 870 CE LYS A 59 -6.645 8.890 4.167 1.00 0.00 C ATOM 871 NZ LYS A 59 -5.977 10.195 3.962 1.00 0.00 N ATOM 0 H LYS A 59 -6.022 4.676 1.840 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.649 6.387 3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.191 4.712 3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.749 5.957 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.480 6.297 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.331 6.920 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.553 7.851 2.629 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.024 8.618 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.682 9.049 4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.161 8.352 4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.570 10.522 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.219 10.090 3.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.671 10.891 3.623 1.00 0.00 H new ATOM 885 N ALA A 60 -4.360 3.256 4.494 1.00 0.00 N ATOM 886 CA ALA A 60 -3.532 2.418 5.366 1.00 0.00 C ATOM 887 C ALA A 60 -2.032 2.672 5.146 1.00 0.00 C ATOM 888 O ALA A 60 -1.288 2.802 6.112 1.00 0.00 O ATOM 889 CB ALA A 60 -3.911 0.950 5.149 1.00 0.00 C ATOM 0 H ALA A 60 -4.859 2.736 3.772 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.725 2.680 6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.300 0.318 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.964 0.806 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.739 0.680 4.107 1.00 0.00 H new ATOM 895 N ILE A 61 -1.595 2.861 3.894 1.00 0.00 N ATOM 896 CA ILE A 61 -0.213 3.255 3.580 1.00 0.00 C ATOM 897 C ILE A 61 0.100 4.623 4.200 1.00 0.00 C ATOM 898 O ILE A 61 1.020 4.730 5.009 1.00 0.00 O ATOM 899 CB ILE A 61 0.068 3.240 2.053 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.307 1.920 1.355 1.00 0.00 C ATOM 901 CG2 ILE A 61 1.556 3.517 1.816 1.00 0.00 C ATOM 902 CD1 ILE A 61 -0.277 1.970 -0.176 1.00 0.00 C ATOM 0 H ILE A 61 -2.187 2.746 3.071 1.00 0.00 H new ATOM 0 HA ILE A 61 0.455 2.515 4.021 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.566 4.013 1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.376 1.141 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.307 1.628 1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.762 3.508 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.814 4.493 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.152 2.747 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.555 0.995 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.982 2.723 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.727 2.228 -0.512 1.00 0.00 H new ATOM 914 N GLU A 62 -0.716 5.645 3.926 1.00 0.00 N ATOM 915 CA GLU A 62 -0.597 6.962 4.555 1.00 0.00 C ATOM 916 C GLU A 62 -0.601 6.889 6.092 1.00 0.00 C ATOM 917 O GLU A 62 0.000 7.744 6.724 1.00 0.00 O ATOM 918 CB GLU A 62 -1.721 7.902 4.088 1.00 0.00 C ATOM 919 CG GLU A 62 -1.646 8.285 2.603 1.00 0.00 C ATOM 920 CD GLU A 62 -2.741 9.243 2.115 1.00 0.00 C ATOM 921 OE1 GLU A 62 -3.562 9.689 2.950 1.00 0.00 O ATOM 922 OE2 GLU A 62 -2.804 9.499 0.890 1.00 0.00 O ATOM 0 H GLU A 62 -1.483 5.580 3.257 1.00 0.00 H new ATOM 0 HA GLU A 62 0.368 7.359 4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.682 7.425 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.691 8.811 4.688 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.675 8.742 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.692 7.373 2.007 1.00 0.00 H new ATOM 929 N ALA A 63 -1.198 5.861 6.711 1.00 0.00 N ATOM 930 CA ALA A 63 -1.240 5.687 8.164 1.00 0.00 C ATOM 931 C ALA A 63 -0.025 4.953 8.757 1.00 0.00 C ATOM 932 O ALA A 63 0.030 4.781 9.971 1.00 0.00 O ATOM 933 CB ALA A 63 -2.566 5.013 8.544 1.00 0.00 C ATOM 0 H ALA A 63 -1.673 5.115 6.203 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.184 6.679 8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.609 4.878 9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.398 5.640 8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.634 4.042 8.054 1.00 0.00 H new ATOM 939 N VAL A 64 0.963 4.586 7.934 1.00 0.00 N ATOM 940 CA VAL A 64 2.222 3.960 8.385 1.00 0.00 C ATOM 941 C VAL A 64 3.309 5.003 8.623 1.00 0.00 C ATOM 942 O VAL A 64 4.184 4.836 9.468 1.00 0.00 O ATOM 943 CB VAL A 64 2.720 2.865 7.415 1.00 0.00 C ATOM 944 CG1 VAL A 64 3.654 3.296 6.300 1.00 0.00 C ATOM 945 CG2 VAL A 64 3.492 1.808 8.215 1.00 0.00 C ATOM 0 H VAL A 64 0.916 4.714 6.923 1.00 0.00 H new ATOM 0 HA VAL A 64 1.999 3.472 9.334 1.00 0.00 H new ATOM 0 HB VAL A 64 1.804 2.516 6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.924 2.430 5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.155 4.034 5.672 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.555 3.734 6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.848 1.030 7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.343 2.276 8.710 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.834 1.366 8.963 1.00 0.00 H new ATOM 955 N SER A 65 3.265 6.097 7.865 1.00 0.00 N ATOM 956 CA SER A 65 4.078 7.283 8.108 1.00 0.00 C ATOM 957 C SER A 65 3.346 8.565 7.649 1.00 0.00 C ATOM 958 O SER A 65 3.725 9.192 6.654 1.00 0.00 O ATOM 959 CB SER A 65 5.501 7.114 7.563 1.00 0.00 C ATOM 960 OG SER A 65 5.944 5.771 7.424 1.00 0.00 O ATOM 0 H SER A 65 2.654 6.184 7.053 1.00 0.00 H new ATOM 0 HA SER A 65 4.213 7.407 9.183 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.559 7.601 6.589 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.190 7.640 8.224 1.00 0.00 H new ATOM 0 HG SER A 65 6.072 5.565 6.474 1.00 0.00 H new ATOM 966 N PRO A 66 2.257 8.937 8.352 1.00 0.00 N ATOM 967 CA PRO A 66 1.444 10.108 8.042 1.00 0.00 C ATOM 968 C PRO A 66 2.259 11.395 8.101 1.00 0.00 C ATOM 969 O PRO A 66 3.074 11.587 9.000 1.00 0.00 O ATOM 970 CB PRO A 66 0.275 10.102 9.039 1.00 0.00 C ATOM 971 CG PRO A 66 0.733 9.160 10.154 1.00 0.00 C ATOM 972 CD PRO A 66 1.613 8.168 9.404 1.00 0.00 C ATOM 0 HA PRO A 66 1.068 10.065 7.020 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.073 11.103 9.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.644 9.748 8.572 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.287 9.688 10.930 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -0.109 8.668 10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.351 7.718 10.068 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.020 7.354 8.988 1.00 0.00 H new ATOM 980 N GLY A 67 2.047 12.262 7.106 1.00 0.00 N ATOM 981 CA GLY A 67 2.780 13.522 6.925 1.00 0.00 C ATOM 982 C GLY A 67 4.104 13.358 6.174 1.00 0.00 C ATOM 983 O GLY A 67 4.560 14.309 5.547 1.00 0.00 O ATOM 0 H GLY A 67 1.343 12.104 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.149 14.225 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.978 13.961 7.903 1.00 0.00 H new ATOM 987 N LEU A 68 4.698 12.161 6.198 1.00 0.00 N ATOM 988 CA LEU A 68 5.882 11.798 5.416 1.00 0.00 C ATOM 989 C LEU A 68 5.485 11.221 4.049 1.00 0.00 C ATOM 990 O LEU A 68 6.166 11.455 3.059 1.00 0.00 O ATOM 991 CB LEU A 68 6.701 10.807 6.262 1.00 0.00 C ATOM 992 CG LEU A 68 8.008 10.306 5.622 1.00 0.00 C ATOM 993 CD1 LEU A 68 9.002 11.439 5.341 1.00 0.00 C ATOM 994 CD2 LEU A 68 8.646 9.298 6.581 1.00 0.00 C ATOM 0 H LEU A 68 4.357 11.396 6.780 1.00 0.00 H new ATOM 0 HA LEU A 68 6.490 12.675 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.942 11.282 7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.074 9.944 6.487 1.00 0.00 H new ATOM 0 HG LEU A 68 7.766 9.852 4.661 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.905 11.027 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.550 12.158 4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.258 11.938 6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.576 8.926 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.855 9.784 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.962 8.465 6.741 1.00 0.00 H new ATOM 1006 N TYR A 69 4.385 10.467 3.994 1.00 0.00 N ATOM 1007 CA TYR A 69 3.983 9.645 2.848 1.00 0.00 C ATOM 1008 C TYR A 69 3.120 10.362 1.780 1.00 0.00 C ATOM 1009 O TYR A 69 1.911 10.547 1.929 1.00 0.00 O ATOM 1010 CB TYR A 69 3.278 8.393 3.405 1.00 0.00 C ATOM 1011 CG TYR A 69 4.166 7.212 3.748 1.00 0.00 C ATOM 1012 CD1 TYR A 69 5.521 7.367 4.101 1.00 0.00 C ATOM 1013 CD2 TYR A 69 3.638 5.915 3.628 1.00 0.00 C ATOM 1014 CE1 TYR A 69 6.314 6.239 4.369 1.00 0.00 C ATOM 1015 CE2 TYR A 69 4.452 4.788 3.771 1.00 0.00 C ATOM 1016 CZ TYR A 69 5.784 4.944 4.197 1.00 0.00 C ATOM 1017 OH TYR A 69 6.550 3.861 4.480 1.00 0.00 O ATOM 0 H TYR A 69 3.727 10.409 4.771 1.00 0.00 H new ATOM 0 HA TYR A 69 4.886 9.388 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.731 8.681 4.303 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.540 8.064 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.951 8.356 4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.586 5.787 3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.332 6.364 4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.061 3.804 3.556 1.00 0.00 H new ATOM 0 HH TYR A 69 7.447 4.155 4.743 1.00 0.00 H new ATOM 1027 N ARG A 70 3.708 10.623 0.608 1.00 0.00 N ATOM 1028 CA ARG A 70 3.127 11.261 -0.597 1.00 0.00 C ATOM 1029 C ARG A 70 2.161 10.381 -1.421 1.00 0.00 C ATOM 1030 O ARG A 70 2.071 10.485 -2.644 1.00 0.00 O ATOM 1031 CB ARG A 70 4.316 11.697 -1.470 1.00 0.00 C ATOM 1032 CG ARG A 70 4.199 13.018 -2.206 1.00 0.00 C ATOM 1033 CD ARG A 70 3.122 13.116 -3.282 1.00 0.00 C ATOM 1034 NE ARG A 70 3.178 14.427 -3.955 1.00 0.00 N ATOM 1035 CZ ARG A 70 2.435 15.492 -3.677 1.00 0.00 C ATOM 1036 NH1 ARG A 70 1.490 15.451 -2.758 1.00 0.00 N ATOM 1037 NH2 ARG A 70 2.629 16.618 -4.334 1.00 0.00 N ATOM 0 H ARG A 70 4.686 10.376 0.456 1.00 0.00 H new ATOM 0 HA ARG A 70 2.503 12.090 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.200 11.744 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.495 10.916 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.016 13.801 -1.470 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.162 13.235 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.258 12.320 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.139 12.973 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 70 3.856 14.526 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.317 14.588 -2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.932 16.282 -2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.349 16.670 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.059 17.437 -4.122 1.00 0.00 H new ATOM 1051 N VAL A 71 1.440 9.511 -0.743 1.00 0.00 N ATOM 1052 CA VAL A 71 0.682 8.399 -1.357 1.00 0.00 C ATOM 1053 C VAL A 71 -0.304 8.828 -2.431 1.00 0.00 C ATOM 1054 O VAL A 71 -1.107 9.743 -2.263 1.00 0.00 O ATOM 1055 CB VAL A 71 -0.012 7.419 -0.388 1.00 0.00 C ATOM 1056 CG1 VAL A 71 -0.366 6.070 -1.044 1.00 0.00 C ATOM 1057 CG2 VAL A 71 0.911 7.153 0.799 1.00 0.00 C ATOM 0 H VAL A 71 1.352 9.544 0.273 1.00 0.00 H new ATOM 0 HA VAL A 71 1.496 7.845 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.945 7.888 -0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.851 5.425 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.042 6.239 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.544 5.590 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.427 6.461 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.845 6.717 0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.121 8.091 1.314 1.00 0.00 H new ATOM 1067 N SER A 72 -0.201 8.132 -3.557 1.00 0.00 N ATOM 1068 CA SER A 72 -1.030 8.314 -4.733 1.00 0.00 C ATOM 1069 C SER A 72 -1.301 6.976 -5.444 1.00 0.00 C ATOM 1070 O SER A 72 -0.466 6.074 -5.470 1.00 0.00 O ATOM 1071 CB SER A 72 -0.300 9.258 -5.683 1.00 0.00 C ATOM 1072 OG SER A 72 0.049 10.496 -5.073 1.00 0.00 O ATOM 0 H SER A 72 0.494 7.395 -3.676 1.00 0.00 H new ATOM 0 HA SER A 72 -1.992 8.728 -4.432 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.604 8.771 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.930 9.451 -6.551 1.00 0.00 H new ATOM 0 HG SER A 72 0.738 10.343 -4.393 1.00 0.00 H new ATOM 1078 N ILE A 73 -2.466 6.854 -6.075 1.00 0.00 N ATOM 1079 CA ILE A 73 -2.825 5.737 -6.966 1.00 0.00 C ATOM 1080 C ILE A 73 -2.266 6.024 -8.347 1.00 0.00 C ATOM 1081 O ILE A 73 -2.584 7.054 -8.941 1.00 0.00 O ATOM 1082 CB ILE A 73 -4.363 5.541 -6.997 1.00 0.00 C ATOM 1083 CG1 ILE A 73 -4.889 5.161 -5.593 1.00 0.00 C ATOM 1084 CG2 ILE A 73 -4.765 4.461 -8.023 1.00 0.00 C ATOM 1085 CD1 ILE A 73 -6.417 5.147 -5.468 1.00 0.00 C ATOM 0 H ILE A 73 -3.211 7.544 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.394 4.806 -6.597 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.814 6.486 -7.300 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.507 4.175 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.484 5.864 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.849 4.345 -8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.432 4.761 -9.017 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.298 3.513 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.696 4.870 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.810 6.138 -5.695 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.833 4.423 -6.168 1.00 0.00 H new ATOM 1097 N THR A 74 -1.441 5.107 -8.859 1.00 0.00 N ATOM 1098 CA THR A 74 -1.035 5.101 -10.261 1.00 0.00 C ATOM 1099 C THR A 74 -1.965 4.157 -11.010 1.00 0.00 C ATOM 1100 O THR A 74 -2.208 3.023 -10.606 1.00 0.00 O ATOM 1101 CB THR A 74 0.457 4.785 -10.429 1.00 0.00 C ATOM 1102 OG1 THR A 74 0.743 4.678 -11.802 1.00 0.00 O ATOM 1103 CG2 THR A 74 0.918 3.489 -9.765 1.00 0.00 C ATOM 0 H THR A 74 -1.037 4.348 -8.310 1.00 0.00 H new ATOM 0 HA THR A 74 -1.136 6.096 -10.695 1.00 0.00 H new ATOM 0 HB THR A 74 0.988 5.601 -9.938 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.695 4.478 -11.923 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.985 3.351 -9.938 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.728 3.542 -8.693 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.370 2.648 -10.190 1.00 0.00 H new ATOM 1111 N SER A 75 -2.558 4.662 -12.074 1.00 0.00 N ATOM 1112 CA SER A 75 -3.318 3.892 -13.058 1.00 0.00 C ATOM 1113 C SER A 75 -3.039 4.415 -14.468 1.00 0.00 C ATOM 1114 O SER A 75 -2.546 5.534 -14.634 1.00 0.00 O ATOM 1115 CB SER A 75 -4.814 4.000 -12.756 1.00 0.00 C ATOM 1116 OG SER A 75 -5.104 3.362 -11.522 1.00 0.00 O ATOM 0 H SER A 75 -2.527 5.658 -12.291 1.00 0.00 H new ATOM 0 HA SER A 75 -3.011 2.848 -13.001 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.110 5.048 -12.712 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.390 3.539 -13.558 1.00 0.00 H new ATOM 0 HG SER A 75 -6.063 3.436 -11.333 1.00 0.00 H new ATOM 1122 N GLU A 76 -3.367 3.614 -15.481 1.00 0.00 N ATOM 1123 CA GLU A 76 -3.282 4.045 -16.864 1.00 0.00 C ATOM 1124 C GLU A 76 -4.475 4.957 -17.154 1.00 0.00 C ATOM 1125 O GLU A 76 -5.629 4.546 -17.056 1.00 0.00 O ATOM 1126 CB GLU A 76 -3.215 2.821 -17.779 1.00 0.00 C ATOM 1127 CG GLU A 76 -2.494 3.136 -19.090 1.00 0.00 C ATOM 1128 CD GLU A 76 -2.164 1.810 -19.769 1.00 0.00 C ATOM 1129 OE1 GLU A 76 -3.075 1.234 -20.399 1.00 0.00 O ATOM 1130 OE2 GLU A 76 -1.024 1.346 -19.547 1.00 0.00 O ATOM 0 H GLU A 76 -3.696 2.656 -15.361 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.374 4.617 -17.053 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.699 2.010 -17.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.225 2.471 -17.994 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.123 3.749 -19.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.584 3.705 -18.899 1.00 0.00 H new ATOM 1137 N VAL A 77 -4.155 6.216 -17.423 1.00 0.00 N ATOM 1138 CA VAL A 77 -5.059 7.319 -17.775 1.00 0.00 C ATOM 1139 C VAL A 77 -4.474 8.073 -18.990 1.00 0.00 C ATOM 1140 O VAL A 77 -3.407 7.700 -19.485 1.00 0.00 O ATOM 1141 CB VAL A 77 -5.298 8.250 -16.551 1.00 0.00 C ATOM 1142 CG1 VAL A 77 -5.855 7.478 -15.335 1.00 0.00 C ATOM 1143 CG2 VAL A 77 -4.033 8.996 -16.089 1.00 0.00 C ATOM 0 H VAL A 77 -3.183 6.523 -17.401 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.038 6.929 -18.054 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.027 8.978 -16.908 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.006 8.168 -14.504 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.806 7.017 -15.601 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.146 6.704 -15.040 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.274 9.626 -15.233 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.268 8.274 -15.804 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.660 9.618 -16.903 1.00 0.00 H new TER 1153 VAL A 77