USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 510 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 Single : A 9 MET CE :methyl -162:sc= -0.0878 (180deg=-0.521) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00734 USER MOD Single : A 22 TYR OH : rot 66:sc= 1 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0327 F(o=-1.2!,f=-0.033) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot -53:sc= -1.34 USER MOD Single : A 33 ASN : amide:sc= -0.0331 X(o=-0.033,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -74:sc= 1.25 USER MOD Single : A 45 GLN : amide:sc=-0.00391 K(o=-0.0039,f=-1.9!) USER MOD Single : A 46 THR OG1 : rot 170:sc= 0.55 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 1.12 K(o=1.1,f=-1.2) USER MOD Single : A 50 TYR OH : rot -30:sc= 0.594 USER MOD Single : A 57 GLN : amide:sc= -0.115 X(o=-0.12,f=-0.087) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 62 CYS SG : rot 60:sc= -0.26 USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= 1.22 (180deg=0.847) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 2.11 (180deg=0.589!) USER MOD Single : A 74 SER OG : rot 170:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 16.486 -11.535 -4.180 1.00 0.00 N ATOM 2 CA GLY A 7 15.111 -11.079 -4.011 1.00 0.00 C ATOM 3 C GLY A 7 15.088 -9.595 -3.795 1.00 0.00 C ATOM 4 O GLY A 7 16.142 -9.022 -3.524 1.00 0.00 O ATOM 0 HA2 GLY A 7 14.523 -11.336 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.652 -11.586 -3.162 1.00 0.00 H new ATOM 10 N ALA A 8 13.896 -8.981 -3.932 1.00 0.00 N ATOM 11 CA ALA A 8 13.674 -7.531 -3.738 1.00 0.00 C ATOM 12 C ALA A 8 14.740 -6.678 -4.437 1.00 0.00 C ATOM 13 O ALA A 8 15.762 -6.310 -3.843 1.00 0.00 O ATOM 14 CB ALA A 8 13.551 -7.179 -2.255 1.00 0.00 C ATOM 0 H ALA A 8 13.046 -9.485 -4.185 1.00 0.00 H new ATOM 0 HA ALA A 8 12.723 -7.290 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.389 -6.107 -2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.709 -7.719 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.468 -7.461 -1.737 1.00 0.00 H new ATOM 20 N MET A 9 14.533 -6.409 -5.698 1.00 0.00 N ATOM 21 CA MET A 9 15.496 -5.641 -6.468 1.00 0.00 C ATOM 22 C MET A 9 15.402 -4.162 -6.134 1.00 0.00 C ATOM 23 O MET A 9 14.316 -3.627 -5.910 1.00 0.00 O ATOM 24 CB MET A 9 15.335 -5.863 -7.984 1.00 0.00 C ATOM 25 CG MET A 9 13.981 -5.445 -8.542 1.00 0.00 C ATOM 26 SD MET A 9 13.839 -5.679 -10.328 1.00 0.00 S ATOM 27 CE MET A 9 15.082 -4.532 -10.926 1.00 0.00 C ATOM 0 H MET A 9 13.709 -6.706 -6.221 1.00 0.00 H new ATOM 0 HA MET A 9 16.486 -6.000 -6.188 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.116 -5.308 -8.505 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.494 -6.919 -8.203 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.199 -6.018 -8.044 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.807 -4.395 -8.305 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.905 -4.321 -11.980 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.026 -3.605 -10.356 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.072 -4.973 -10.806 1.00 0.00 H new ATOM 37 N ALA A 10 16.530 -3.528 -6.058 1.00 0.00 N ATOM 38 CA ALA A 10 16.603 -2.119 -5.806 1.00 0.00 C ATOM 39 C ALA A 10 17.353 -1.481 -6.962 1.00 0.00 C ATOM 40 O ALA A 10 18.552 -1.675 -7.087 1.00 0.00 O ATOM 41 CB ALA A 10 17.314 -1.852 -4.481 1.00 0.00 C ATOM 0 H ALA A 10 17.438 -3.978 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 10 15.603 -1.692 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.362 -0.778 -4.304 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.764 -2.330 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.325 -2.258 -4.522 1.00 0.00 H new ATOM 47 N PRO A 11 16.648 -0.810 -7.875 1.00 0.00 N ATOM 48 CA PRO A 11 17.275 -0.179 -9.033 1.00 0.00 C ATOM 49 C PRO A 11 17.963 1.150 -8.679 1.00 0.00 C ATOM 50 O PRO A 11 17.290 2.127 -8.303 1.00 0.00 O ATOM 51 CB PRO A 11 16.105 0.048 -9.993 1.00 0.00 C ATOM 52 CG PRO A 11 14.894 0.164 -9.123 1.00 0.00 C ATOM 53 CD PRO A 11 15.176 -0.631 -7.870 1.00 0.00 C ATOM 0 HA PRO A 11 18.069 -0.796 -9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.252 0.952 -10.584 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.007 -0.780 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.691 1.207 -8.881 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.012 -0.222 -9.635 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.843 -0.100 -6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.658 -1.590 -7.882 1.00 0.00 H new ATOM 61 N PRO A 12 19.312 1.199 -8.746 1.00 0.00 N ATOM 62 CA PRO A 12 20.067 2.416 -8.455 1.00 0.00 C ATOM 63 C PRO A 12 19.755 3.505 -9.478 1.00 0.00 C ATOM 64 O PRO A 12 19.466 4.650 -9.120 1.00 0.00 O ATOM 65 CB PRO A 12 21.535 1.976 -8.562 1.00 0.00 C ATOM 66 CG PRO A 12 21.501 0.493 -8.453 1.00 0.00 C ATOM 67 CD PRO A 12 20.210 0.075 -9.079 1.00 0.00 C ATOM 0 HA PRO A 12 19.823 2.837 -7.480 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.974 2.292 -9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.138 2.416 -7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.350 0.042 -8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.553 0.175 -7.412 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.307 -0.061 -10.156 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.848 -0.868 -8.670 1.00 0.00 H new ATOM 75 N VAL A 13 19.797 3.137 -10.743 1.00 0.00 N ATOM 76 CA VAL A 13 19.463 4.040 -11.819 1.00 0.00 C ATOM 77 C VAL A 13 18.411 3.413 -12.717 1.00 0.00 C ATOM 78 O VAL A 13 18.651 2.383 -13.365 1.00 0.00 O ATOM 79 CB VAL A 13 20.706 4.525 -12.647 1.00 0.00 C ATOM 80 CG1 VAL A 13 21.601 5.414 -11.801 1.00 0.00 C ATOM 81 CG2 VAL A 13 21.514 3.357 -13.199 1.00 0.00 C ATOM 0 H VAL A 13 20.064 2.202 -11.051 1.00 0.00 H new ATOM 0 HA VAL A 13 19.056 4.940 -11.358 1.00 0.00 H new ATOM 0 HB VAL A 13 20.323 5.098 -13.491 1.00 0.00 H new ATOM 0 HG11 VAL A 13 22.456 5.739 -12.394 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.038 6.286 -11.468 1.00 0.00 H new ATOM 0 HG13 VAL A 13 21.952 4.856 -10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 13 22.364 3.738 -13.765 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.873 2.741 -12.374 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.883 2.755 -13.853 1.00 0.00 H new ATOM 91 N ALA A 14 17.240 3.984 -12.676 1.00 0.00 N ATOM 92 CA ALA A 14 16.102 3.565 -13.457 1.00 0.00 C ATOM 93 C ALA A 14 15.036 4.605 -13.262 1.00 0.00 C ATOM 94 O ALA A 14 15.249 5.561 -12.500 1.00 0.00 O ATOM 95 CB ALA A 14 15.588 2.195 -13.004 1.00 0.00 C ATOM 0 H ALA A 14 17.041 4.785 -12.076 1.00 0.00 H new ATOM 0 HA ALA A 14 16.380 3.469 -14.507 1.00 0.00 H new ATOM 0 HB1 ALA A 14 14.730 1.909 -13.613 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.379 1.453 -13.119 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.289 2.247 -11.957 1.00 0.00 H new ATOM 101 N ALA A 15 13.914 4.447 -13.925 1.00 0.00 N ATOM 102 CA ALA A 15 12.808 5.365 -13.755 1.00 0.00 C ATOM 103 C ALA A 15 12.268 5.351 -12.306 1.00 0.00 C ATOM 104 O ALA A 15 12.155 6.411 -11.694 1.00 0.00 O ATOM 105 CB ALA A 15 11.708 5.157 -14.805 1.00 0.00 C ATOM 0 H ALA A 15 13.741 3.691 -14.588 1.00 0.00 H new ATOM 0 HA ALA A 15 13.197 6.368 -13.929 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.902 5.870 -14.633 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.122 5.311 -15.801 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.318 4.142 -14.727 1.00 0.00 H new ATOM 111 N PRO A 16 11.919 4.183 -11.721 1.00 0.00 N ATOM 112 CA PRO A 16 11.516 4.132 -10.333 1.00 0.00 C ATOM 113 C PRO A 16 12.726 3.917 -9.410 1.00 0.00 C ATOM 114 O PRO A 16 13.800 3.459 -9.847 1.00 0.00 O ATOM 115 CB PRO A 16 10.600 2.917 -10.299 1.00 0.00 C ATOM 116 CG PRO A 16 11.211 1.976 -11.280 1.00 0.00 C ATOM 117 CD PRO A 16 11.845 2.840 -12.350 1.00 0.00 C ATOM 0 HA PRO A 16 11.043 5.052 -9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.554 2.480 -9.302 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.580 3.179 -10.579 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.955 1.341 -10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.457 1.315 -11.708 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.833 2.473 -12.627 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.244 2.856 -13.259 1.00 0.00 H new ATOM 125 N SER A 17 12.566 4.259 -8.175 1.00 0.00 N ATOM 126 CA SER A 17 13.583 4.063 -7.194 1.00 0.00 C ATOM 127 C SER A 17 13.054 3.050 -6.174 1.00 0.00 C ATOM 128 O SER A 17 11.838 2.820 -6.130 1.00 0.00 O ATOM 129 CB SER A 17 13.894 5.416 -6.530 1.00 0.00 C ATOM 130 OG SER A 17 12.732 5.967 -5.917 1.00 0.00 O ATOM 0 H SER A 17 11.714 4.688 -7.813 1.00 0.00 H new ATOM 0 HA SER A 17 14.504 3.681 -7.635 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.676 5.286 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.279 6.111 -7.276 1.00 0.00 H new ATOM 0 HG SER A 17 12.957 6.825 -5.501 1.00 0.00 H new ATOM 136 N PRO A 18 13.922 2.396 -5.377 1.00 0.00 N ATOM 137 CA PRO A 18 13.458 1.484 -4.326 1.00 0.00 C ATOM 138 C PRO A 18 12.646 2.252 -3.276 1.00 0.00 C ATOM 139 O PRO A 18 13.023 3.376 -2.906 1.00 0.00 O ATOM 140 CB PRO A 18 14.760 0.940 -3.710 1.00 0.00 C ATOM 141 CG PRO A 18 15.817 1.916 -4.109 1.00 0.00 C ATOM 142 CD PRO A 18 15.394 2.469 -5.438 1.00 0.00 C ATOM 0 HA PRO A 18 12.809 0.694 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.682 0.865 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.985 -0.059 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 18 15.913 2.711 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.789 1.429 -4.181 1.00 0.00 H new ATOM 0 HD2 PRO A 18 15.741 3.493 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 18 15.793 1.881 -6.265 1.00 0.00 H new ATOM 150 N ALA A 19 11.546 1.647 -2.827 1.00 0.00 N ATOM 151 CA ALA A 19 10.612 2.244 -1.864 1.00 0.00 C ATOM 152 C ALA A 19 10.037 3.568 -2.376 1.00 0.00 C ATOM 153 O ALA A 19 10.548 4.655 -2.085 1.00 0.00 O ATOM 154 CB ALA A 19 11.224 2.389 -0.469 1.00 0.00 C ATOM 0 H ALA A 19 11.272 0.711 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 19 9.779 1.547 -1.765 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.492 2.835 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 19 11.511 1.407 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.105 3.028 -0.523 1.00 0.00 H new ATOM 160 N VAL A 20 9.005 3.461 -3.172 1.00 0.00 N ATOM 161 CA VAL A 20 8.353 4.620 -3.773 1.00 0.00 C ATOM 162 C VAL A 20 7.317 5.224 -2.855 1.00 0.00 C ATOM 163 O VAL A 20 6.909 4.607 -1.869 1.00 0.00 O ATOM 164 CB VAL A 20 7.678 4.289 -5.123 1.00 0.00 C ATOM 165 CG1 VAL A 20 8.694 4.078 -6.195 1.00 0.00 C ATOM 166 CG2 VAL A 20 6.822 3.049 -5.011 1.00 0.00 C ATOM 0 H VAL A 20 8.583 2.569 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 20 9.153 5.340 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 20 7.050 5.141 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.190 3.847 -7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.289 4.983 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.347 3.249 -5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.359 2.838 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.443 2.204 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.046 3.209 -4.263 1.00 0.00 H new ATOM 176 N THR A 21 6.890 6.412 -3.186 1.00 0.00 N ATOM 177 CA THR A 21 5.905 7.097 -2.419 1.00 0.00 C ATOM 178 C THR A 21 4.544 7.067 -3.102 1.00 0.00 C ATOM 179 O THR A 21 4.442 6.901 -4.341 1.00 0.00 O ATOM 180 CB THR A 21 6.343 8.531 -2.131 1.00 0.00 C ATOM 181 OG1 THR A 21 6.848 9.130 -3.337 1.00 0.00 O ATOM 182 CG2 THR A 21 7.404 8.559 -1.049 1.00 0.00 C ATOM 0 H THR A 21 7.222 6.928 -4.001 1.00 0.00 H new ATOM 0 HA THR A 21 5.804 6.575 -1.468 1.00 0.00 H new ATOM 0 HB THR A 21 5.482 9.099 -1.778 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.128 10.051 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.703 9.590 -0.859 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.003 8.123 -0.134 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.271 7.984 -1.375 1.00 0.00 H new ATOM 190 N TYR A 22 3.510 7.205 -2.303 1.00 0.00 N ATOM 191 CA TYR A 22 2.142 7.115 -2.751 1.00 0.00 C ATOM 192 C TYR A 22 1.319 8.285 -2.233 1.00 0.00 C ATOM 193 O TYR A 22 1.694 8.929 -1.254 1.00 0.00 O ATOM 194 CB TYR A 22 1.534 5.782 -2.292 1.00 0.00 C ATOM 195 CG TYR A 22 2.133 4.582 -2.977 1.00 0.00 C ATOM 196 CD1 TYR A 22 3.369 4.065 -2.593 1.00 0.00 C ATOM 197 CD2 TYR A 22 1.486 3.999 -4.042 1.00 0.00 C ATOM 198 CE1 TYR A 22 3.929 3.014 -3.258 1.00 0.00 C ATOM 199 CE2 TYR A 22 2.032 2.935 -4.699 1.00 0.00 C ATOM 200 CZ TYR A 22 3.254 2.450 -4.311 1.00 0.00 C ATOM 201 OH TYR A 22 3.818 1.434 -5.021 1.00 0.00 O ATOM 0 H TYR A 22 3.600 7.387 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 22 2.129 7.157 -3.840 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.670 5.681 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.460 5.798 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.892 4.503 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.532 4.389 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.893 2.630 -2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.503 2.477 -5.522 1.00 0.00 H new ATOM 0 HH TYR A 22 3.911 0.646 -4.446 1.00 0.00 H new ATOM 211 N ALA A 23 0.214 8.552 -2.898 1.00 0.00 N ATOM 212 CA ALA A 23 -0.672 9.638 -2.537 1.00 0.00 C ATOM 213 C ALA A 23 -2.029 9.082 -2.136 1.00 0.00 C ATOM 214 O ALA A 23 -2.411 7.999 -2.582 1.00 0.00 O ATOM 215 CB ALA A 23 -0.833 10.580 -3.717 1.00 0.00 C ATOM 0 H ALA A 23 -0.096 8.018 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.246 10.185 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.501 11.397 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.140 10.985 -3.995 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.254 10.036 -4.562 1.00 0.00 H new ATOM 221 N LEU A 24 -2.741 9.797 -1.278 1.00 0.00 N ATOM 222 CA LEU A 24 -4.079 9.383 -0.850 1.00 0.00 C ATOM 223 C LEU A 24 -5.038 9.402 -2.014 1.00 0.00 C ATOM 224 O LEU A 24 -4.780 10.072 -3.019 1.00 0.00 O ATOM 225 CB LEU A 24 -4.626 10.262 0.277 1.00 0.00 C ATOM 226 CG LEU A 24 -3.713 10.439 1.473 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.365 11.248 2.555 1.00 0.00 C ATOM 228 CD2 LEU A 24 -3.220 9.123 1.993 1.00 0.00 C ATOM 0 H LEU A 24 -2.418 10.670 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.986 8.367 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.853 11.246 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.568 9.835 0.622 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.843 10.999 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.678 11.352 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.618 12.235 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.273 10.745 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.568 9.292 2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.069 8.511 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.663 8.608 1.210 1.00 0.00 H new ATOM 240 N GLN A 25 -6.124 8.653 -1.885 1.00 0.00 N ATOM 241 CA GLN A 25 -7.199 8.552 -2.887 1.00 0.00 C ATOM 242 C GLN A 25 -6.754 7.800 -4.138 1.00 0.00 C ATOM 243 O GLN A 25 -7.521 7.637 -5.081 1.00 0.00 O ATOM 244 CB GLN A 25 -7.774 9.920 -3.263 1.00 0.00 C ATOM 245 CG GLN A 25 -8.283 10.730 -2.089 1.00 0.00 C ATOM 246 CD GLN A 25 -8.983 12.009 -2.513 1.00 0.00 C ATOM 247 OE1 GLN A 25 -9.619 12.000 -3.666 1.00 0.00 O flip ATOM 248 NE2 GLN A 25 -8.957 13.002 -1.788 1.00 0.00 N flip ATOM 0 H GLN A 25 -6.295 8.079 -1.060 1.00 0.00 H new ATOM 0 HA GLN A 25 -7.993 7.975 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -7.004 10.495 -3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.591 9.775 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.973 10.120 -1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.447 10.979 -1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.454 12.973 -0.901 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.438 13.855 -2.074 1.00 0.00 H new ATOM 257 N GLU A 26 -5.534 7.340 -4.133 1.00 0.00 N ATOM 258 CA GLU A 26 -5.002 6.585 -5.226 1.00 0.00 C ATOM 259 C GLU A 26 -5.318 5.118 -4.990 1.00 0.00 C ATOM 260 O GLU A 26 -5.299 4.649 -3.834 1.00 0.00 O ATOM 261 CB GLU A 26 -3.489 6.832 -5.341 1.00 0.00 C ATOM 262 CG GLU A 26 -2.813 6.146 -6.514 1.00 0.00 C ATOM 263 CD GLU A 26 -3.427 6.521 -7.841 1.00 0.00 C ATOM 264 OE1 GLU A 26 -3.002 7.524 -8.450 1.00 0.00 O ATOM 265 OE2 GLU A 26 -4.331 5.800 -8.314 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.879 7.481 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.453 6.895 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.317 7.905 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.011 6.498 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.755 6.407 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.874 5.066 -6.382 1.00 0.00 H new ATOM 272 N ASP A 27 -5.651 4.417 -6.048 1.00 0.00 N ATOM 273 CA ASP A 27 -6.002 3.012 -5.956 1.00 0.00 C ATOM 274 C ASP A 27 -4.796 2.202 -6.295 1.00 0.00 C ATOM 275 O ASP A 27 -4.156 2.427 -7.321 1.00 0.00 O ATOM 276 CB ASP A 27 -7.168 2.638 -6.876 1.00 0.00 C ATOM 277 CG ASP A 27 -8.458 3.318 -6.504 1.00 0.00 C ATOM 278 OD1 ASP A 27 -9.157 2.849 -5.587 1.00 0.00 O ATOM 279 OD2 ASP A 27 -8.815 4.326 -7.144 1.00 0.00 O1- ATOM 0 H ASP A 27 -5.687 4.798 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.332 2.805 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.910 2.898 -7.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.313 1.558 -6.848 1.00 0.00 H new ATOM 284 N VAL A 28 -4.465 1.285 -5.448 1.00 0.00 N ATOM 285 CA VAL A 28 -3.248 0.514 -5.574 1.00 0.00 C ATOM 286 C VAL A 28 -3.457 -0.924 -5.130 1.00 0.00 C ATOM 287 O VAL A 28 -4.380 -1.224 -4.358 1.00 0.00 O ATOM 288 CB VAL A 28 -2.114 1.147 -4.713 1.00 0.00 C ATOM 289 CG1 VAL A 28 -1.575 2.401 -5.364 1.00 0.00 C ATOM 290 CG2 VAL A 28 -2.667 1.504 -3.346 1.00 0.00 C ATOM 0 H VAL A 28 -5.030 1.038 -4.636 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.964 0.522 -6.626 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.304 0.423 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.785 2.823 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.172 2.156 -6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.379 3.129 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.878 1.947 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.483 2.218 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.038 0.603 -2.857 1.00 0.00 H new ATOM 300 N PHE A 29 -2.629 -1.810 -5.640 1.00 0.00 N ATOM 301 CA PHE A 29 -2.662 -3.196 -5.226 1.00 0.00 C ATOM 302 C PHE A 29 -1.764 -3.374 -4.012 1.00 0.00 C ATOM 303 O PHE A 29 -0.688 -2.775 -3.956 1.00 0.00 O ATOM 304 CB PHE A 29 -2.212 -4.150 -6.347 1.00 0.00 C ATOM 305 CG PHE A 29 -3.240 -4.456 -7.401 1.00 0.00 C ATOM 306 CD1 PHE A 29 -4.302 -5.300 -7.116 1.00 0.00 C ATOM 307 CD2 PHE A 29 -3.128 -3.944 -8.676 1.00 0.00 C ATOM 308 CE1 PHE A 29 -5.235 -5.620 -8.084 1.00 0.00 C ATOM 309 CE2 PHE A 29 -4.061 -4.255 -9.650 1.00 0.00 C ATOM 310 CZ PHE A 29 -5.115 -5.095 -9.352 1.00 0.00 C ATOM 0 H PHE A 29 -1.923 -1.594 -6.344 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.694 -3.448 -4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.337 -3.720 -6.834 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.895 -5.089 -5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.402 -5.713 -6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.302 -3.292 -8.918 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.056 -6.280 -7.847 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.964 -3.841 -10.643 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.844 -5.340 -10.111 1.00 0.00 H new ATOM 320 N ILE A 30 -2.212 -4.175 -3.056 1.00 0.00 N ATOM 321 CA ILE A 30 -1.489 -4.439 -1.803 1.00 0.00 C ATOM 322 C ILE A 30 -1.229 -5.910 -1.653 1.00 0.00 C ATOM 323 O ILE A 30 -2.148 -6.727 -1.713 1.00 0.00 O ATOM 324 CB ILE A 30 -2.271 -3.938 -0.519 1.00 0.00 C ATOM 325 CG1 ILE A 30 -2.139 -2.436 -0.303 1.00 0.00 C ATOM 326 CG2 ILE A 30 -1.847 -4.677 0.756 1.00 0.00 C ATOM 327 CD1 ILE A 30 -2.628 -1.600 -1.432 1.00 0.00 C ATOM 0 H ILE A 30 -3.101 -4.671 -3.122 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.555 -3.882 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.318 -4.168 -0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.688 -2.163 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.091 -2.200 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.414 -4.294 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.042 -5.743 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.783 -4.520 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.494 -0.546 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.063 -1.839 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.686 -1.802 -1.603 1.00 0.00 H new ATOM 339 N LYS A 31 0.011 -6.232 -1.503 1.00 0.00 N ATOM 340 CA LYS A 31 0.442 -7.570 -1.289 1.00 0.00 C ATOM 341 C LYS A 31 0.383 -7.933 0.177 1.00 0.00 C ATOM 342 O LYS A 31 0.966 -7.261 1.029 1.00 0.00 O ATOM 343 CB LYS A 31 1.848 -7.756 -1.829 1.00 0.00 C ATOM 344 CG LYS A 31 2.478 -9.079 -1.467 1.00 0.00 C ATOM 345 CD LYS A 31 3.922 -9.148 -1.882 1.00 0.00 C ATOM 346 CE LYS A 31 4.534 -10.449 -1.432 1.00 0.00 C ATOM 347 NZ LYS A 31 5.963 -10.537 -1.783 1.00 0.00 N1+ ATOM 0 H LYS A 31 0.772 -5.553 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.233 -8.238 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.824 -7.662 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.479 -6.951 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.402 -9.234 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.924 -9.887 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.001 -9.057 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.472 -8.311 -1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.419 -10.550 -0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.996 -11.280 -1.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.345 -11.447 -1.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.072 -10.467 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.481 -9.759 -1.326 1.00 0.00 H new ATOM 361 N CYS A 32 -0.325 -8.974 0.457 1.00 0.00 N ATOM 362 CA CYS A 32 -0.407 -9.504 1.786 1.00 0.00 C ATOM 363 C CYS A 32 0.690 -10.545 1.961 1.00 0.00 C ATOM 364 O CYS A 32 1.382 -10.888 0.989 1.00 0.00 O ATOM 365 CB CYS A 32 -1.780 -10.116 2.014 1.00 0.00 C ATOM 366 SG CYS A 32 -2.198 -11.388 0.803 1.00 0.00 S ATOM 0 H CYS A 32 -0.871 -9.490 -0.233 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.268 -8.710 2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.817 -10.548 3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.533 -9.328 1.979 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.047 -10.911 -0.397 1.00 0.00 H new ATOM 372 N ASN A 33 0.841 -11.064 3.167 1.00 0.00 N ATOM 373 CA ASN A 33 1.887 -12.052 3.467 1.00 0.00 C ATOM 374 C ASN A 33 1.737 -13.309 2.605 1.00 0.00 C ATOM 375 O ASN A 33 2.731 -13.934 2.226 1.00 0.00 O ATOM 376 CB ASN A 33 1.887 -12.417 4.966 1.00 0.00 C ATOM 377 CG ASN A 33 2.905 -13.499 5.328 1.00 0.00 C ATOM 378 OD1 ASN A 33 4.058 -13.208 5.650 1.00 0.00 O ATOM 379 ND2 ASN A 33 2.485 -14.739 5.314 1.00 0.00 N ATOM 0 H ASN A 33 0.254 -10.822 3.965 1.00 0.00 H new ATOM 0 HA ASN A 33 2.847 -11.596 3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.097 -11.521 5.550 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.891 -12.756 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.118 -15.495 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.524 -14.949 5.043 1.00 0.00 H new ATOM 386 N ASP A 34 0.506 -13.636 2.241 1.00 0.00 N ATOM 387 CA ASP A 34 0.232 -14.825 1.419 1.00 0.00 C ATOM 388 C ASP A 34 0.639 -14.588 -0.050 1.00 0.00 C ATOM 389 O ASP A 34 0.700 -15.516 -0.858 1.00 0.00 O ATOM 390 CB ASP A 34 -1.248 -15.212 1.518 1.00 0.00 C ATOM 391 CG ASP A 34 -1.573 -16.542 0.853 1.00 0.00 C ATOM 392 OD1 ASP A 34 -2.269 -16.556 -0.185 1.00 0.00 O ATOM 393 OD2 ASP A 34 -1.159 -17.606 1.376 1.00 0.00 O1- ATOM 0 H ASP A 34 -0.324 -13.101 2.497 1.00 0.00 H new ATOM 0 HA ASP A 34 0.832 -15.651 1.802 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.533 -15.261 2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.852 -14.429 1.060 1.00 0.00 H new ATOM 398 N GLY A 35 0.929 -13.339 -0.385 1.00 0.00 N ATOM 399 CA GLY A 35 1.382 -13.007 -1.721 1.00 0.00 C ATOM 400 C GLY A 35 0.274 -12.507 -2.613 1.00 0.00 C ATOM 401 O GLY A 35 0.514 -12.137 -3.769 1.00 0.00 O ATOM 0 H GLY A 35 0.858 -12.544 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.160 -12.246 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.836 -13.888 -2.174 1.00 0.00 H new ATOM 405 N ARG A 36 -0.928 -12.469 -2.081 1.00 0.00 N ATOM 406 CA ARG A 36 -2.089 -12.046 -2.847 1.00 0.00 C ATOM 407 C ARG A 36 -2.140 -10.543 -2.862 1.00 0.00 C ATOM 408 O ARG A 36 -1.774 -9.903 -1.863 1.00 0.00 O ATOM 409 CB ARG A 36 -3.382 -12.581 -2.215 1.00 0.00 C ATOM 410 CG ARG A 36 -3.362 -14.062 -1.918 1.00 0.00 C ATOM 411 CD ARG A 36 -3.139 -14.882 -3.161 1.00 0.00 C ATOM 412 NE ARG A 36 -2.960 -16.295 -2.842 1.00 0.00 N ATOM 413 CZ ARG A 36 -3.071 -17.286 -3.723 1.00 0.00 C ATOM 414 NH1 ARG A 36 -3.408 -17.025 -4.977 1.00 0.00 N1+ ATOM 415 NH2 ARG A 36 -2.849 -18.533 -3.352 1.00 0.00 N ATOM 0 H ARG A 36 -1.132 -12.727 -1.115 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.004 -12.439 -3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.571 -12.039 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.215 -12.368 -2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.574 -14.277 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.306 -14.352 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.989 -14.764 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.260 -14.513 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.734 -16.540 -1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.583 -16.063 -5.269 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.493 -17.786 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.591 -18.740 -2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.935 -19.290 -4.030 1.00 0.00 H new ATOM 429 N PHE A 37 -2.593 -9.989 -3.950 1.00 0.00 N ATOM 430 CA PHE A 37 -2.715 -8.564 -4.080 1.00 0.00 C ATOM 431 C PHE A 37 -4.155 -8.149 -3.984 1.00 0.00 C ATOM 432 O PHE A 37 -5.015 -8.714 -4.643 1.00 0.00 O ATOM 433 CB PHE A 37 -2.132 -8.059 -5.394 1.00 0.00 C ATOM 434 CG PHE A 37 -0.669 -7.731 -5.342 1.00 0.00 C ATOM 435 CD1 PHE A 37 -0.265 -6.544 -4.776 1.00 0.00 C ATOM 436 CD2 PHE A 37 0.288 -8.570 -5.880 1.00 0.00 C ATOM 437 CE1 PHE A 37 1.044 -6.176 -4.734 1.00 0.00 C ATOM 438 CE2 PHE A 37 1.628 -8.215 -5.838 1.00 0.00 C ATOM 439 CZ PHE A 37 2.008 -7.014 -5.264 1.00 0.00 C ATOM 0 H PHE A 37 -2.889 -10.513 -4.774 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.147 -8.120 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.295 -8.814 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.680 -7.168 -5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.009 -5.885 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.008 -9.504 -6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.329 -5.234 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.375 -8.875 -6.253 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.050 -6.733 -5.230 1.00 0.00 H new ATOM 449 N TYR A 38 -4.412 -7.193 -3.149 1.00 0.00 N ATOM 450 CA TYR A 38 -5.735 -6.661 -2.951 1.00 0.00 C ATOM 451 C TYR A 38 -5.767 -5.216 -3.397 1.00 0.00 C ATOM 452 O TYR A 38 -4.922 -4.433 -2.998 1.00 0.00 O ATOM 453 CB TYR A 38 -6.130 -6.759 -1.477 1.00 0.00 C ATOM 454 CG TYR A 38 -6.282 -8.165 -0.959 1.00 0.00 C ATOM 455 CD1 TYR A 38 -7.530 -8.762 -0.899 1.00 0.00 C ATOM 456 CD2 TYR A 38 -5.182 -8.895 -0.535 1.00 0.00 C ATOM 457 CE1 TYR A 38 -7.679 -10.047 -0.434 1.00 0.00 C ATOM 458 CE2 TYR A 38 -5.325 -10.182 -0.068 1.00 0.00 C ATOM 459 CZ TYR A 38 -6.574 -10.754 -0.019 1.00 0.00 C ATOM 460 OH TYR A 38 -6.720 -12.051 0.436 1.00 0.00 O ATOM 0 H TYR A 38 -3.699 -6.748 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 38 -6.445 -7.240 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.378 -6.245 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.071 -6.229 -1.331 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.400 -8.209 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.200 -8.448 -0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.659 -10.500 -0.395 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.460 -10.740 0.258 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.844 -12.409 0.690 1.00 0.00 H new ATOM 470 N LEU A 39 -6.702 -4.883 -4.241 1.00 0.00 N ATOM 471 CA LEU A 39 -6.836 -3.523 -4.738 1.00 0.00 C ATOM 472 C LEU A 39 -7.635 -2.657 -3.761 1.00 0.00 C ATOM 473 O LEU A 39 -8.804 -2.959 -3.446 1.00 0.00 O ATOM 474 CB LEU A 39 -7.473 -3.526 -6.141 1.00 0.00 C ATOM 475 CG LEU A 39 -7.721 -2.156 -6.798 1.00 0.00 C ATOM 476 CD1 LEU A 39 -6.465 -1.332 -6.783 1.00 0.00 C ATOM 477 CD2 LEU A 39 -8.162 -2.332 -8.230 1.00 0.00 C ATOM 0 H LEU A 39 -7.395 -5.535 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.841 -3.085 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.832 -4.108 -6.803 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.427 -4.050 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.501 -1.649 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.658 -0.367 -7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.143 -1.178 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.682 -1.853 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.333 -1.354 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.387 -2.858 -8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.085 -2.911 -8.258 1.00 0.00 H new ATOM 489 N GLY A 40 -7.011 -1.604 -3.286 1.00 0.00 N ATOM 490 CA GLY A 40 -7.651 -0.704 -2.361 1.00 0.00 C ATOM 491 C GLY A 40 -7.263 0.737 -2.620 1.00 0.00 C ATOM 492 O GLY A 40 -6.399 1.007 -3.457 1.00 0.00 O ATOM 0 H GLY A 40 -6.053 -1.350 -3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.733 -0.809 -2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.379 -0.976 -1.341 1.00 0.00 H new ATOM 496 N THR A 41 -7.885 1.641 -1.907 1.00 0.00 N ATOM 497 CA THR A 41 -7.653 3.066 -2.045 1.00 0.00 C ATOM 498 C THR A 41 -6.909 3.574 -0.792 1.00 0.00 C ATOM 499 O THR A 41 -7.265 3.206 0.325 1.00 0.00 O ATOM 500 CB THR A 41 -9.017 3.784 -2.136 1.00 0.00 C ATOM 501 OG1 THR A 41 -9.857 3.101 -3.084 1.00 0.00 O ATOM 502 CG2 THR A 41 -8.851 5.228 -2.578 1.00 0.00 C ATOM 0 H THR A 41 -8.581 1.408 -1.199 1.00 0.00 H new ATOM 0 HA THR A 41 -7.062 3.265 -2.939 1.00 0.00 H new ATOM 0 HB THR A 41 -9.472 3.772 -1.145 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.550 3.298 -3.994 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.829 5.707 -2.633 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.227 5.759 -1.859 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.378 5.256 -3.560 1.00 0.00 H new ATOM 510 N ILE A 42 -5.885 4.383 -0.968 1.00 0.00 N ATOM 511 CA ILE A 42 -5.127 4.907 0.177 1.00 0.00 C ATOM 512 C ILE A 42 -5.918 6.017 0.872 1.00 0.00 C ATOM 513 O ILE A 42 -6.389 6.941 0.213 1.00 0.00 O ATOM 514 CB ILE A 42 -3.758 5.480 -0.256 1.00 0.00 C ATOM 515 CG1 ILE A 42 -3.034 4.477 -1.146 1.00 0.00 C ATOM 516 CG2 ILE A 42 -2.914 5.800 0.984 1.00 0.00 C ATOM 517 CD1 ILE A 42 -1.682 4.913 -1.615 1.00 0.00 C ATOM 0 H ILE A 42 -5.551 4.697 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.961 4.073 0.859 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.915 6.399 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.928 3.539 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.656 4.271 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.950 6.204 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.434 6.535 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.757 4.889 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.246 4.135 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.776 5.833 -2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.038 5.090 -0.754 1.00 0.00 H new ATOM 529 N ILE A 43 -6.062 5.931 2.178 1.00 0.00 N ATOM 530 CA ILE A 43 -6.787 6.953 2.938 1.00 0.00 C ATOM 531 C ILE A 43 -5.863 7.785 3.801 1.00 0.00 C ATOM 532 O ILE A 43 -6.137 8.957 4.052 1.00 0.00 O ATOM 533 CB ILE A 43 -7.902 6.395 3.863 1.00 0.00 C ATOM 534 CG1 ILE A 43 -7.357 5.261 4.742 1.00 0.00 C ATOM 535 CG2 ILE A 43 -9.130 5.958 3.081 1.00 0.00 C ATOM 536 CD1 ILE A 43 -7.598 3.891 4.230 1.00 0.00 C ATOM 0 H ILE A 43 -5.690 5.168 2.744 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.251 7.561 2.162 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.225 7.206 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.283 5.402 4.864 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.804 5.345 5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.883 5.575 3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.537 6.810 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.852 5.175 2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.175 3.164 4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.671 3.721 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.126 3.779 3.254 1.00 0.00 H new ATOM 548 N ASP A 44 -4.774 7.204 4.268 1.00 0.00 N ATOM 549 CA ASP A 44 -3.881 7.925 5.158 1.00 0.00 C ATOM 550 C ASP A 44 -2.467 7.450 4.902 1.00 0.00 C ATOM 551 O ASP A 44 -2.276 6.367 4.357 1.00 0.00 O ATOM 552 CB ASP A 44 -4.263 7.706 6.624 1.00 0.00 C ATOM 553 CG ASP A 44 -3.802 8.819 7.546 1.00 0.00 C ATOM 554 OD1 ASP A 44 -2.627 9.177 7.538 1.00 0.00 O ATOM 555 OD2 ASP A 44 -4.627 9.345 8.315 1.00 0.00 O1- ATOM 0 H ASP A 44 -4.488 6.249 4.051 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.959 8.994 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.346 7.610 6.698 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.836 6.763 6.965 1.00 0.00 H new ATOM 560 N GLN A 45 -1.505 8.243 5.257 1.00 0.00 N ATOM 561 CA GLN A 45 -0.125 7.950 4.983 1.00 0.00 C ATOM 562 C GLN A 45 0.757 8.345 6.154 1.00 0.00 C ATOM 563 O GLN A 45 0.482 9.325 6.854 1.00 0.00 O ATOM 564 CB GLN A 45 0.322 8.709 3.733 1.00 0.00 C ATOM 565 CG GLN A 45 0.154 10.228 3.830 1.00 0.00 C ATOM 566 CD GLN A 45 0.496 10.961 2.553 1.00 0.00 C ATOM 567 OE1 GLN A 45 -0.362 11.178 1.703 1.00 0.00 O ATOM 568 NE2 GLN A 45 1.735 11.355 2.404 1.00 0.00 N ATOM 0 H GLN A 45 -1.653 9.123 5.751 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.028 6.876 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.370 8.482 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.247 8.345 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.877 10.454 4.103 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.786 10.604 4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.424 11.158 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.012 11.859 1.562 1.00 0.00 H new ATOM 577 N THR A 46 1.769 7.583 6.389 1.00 0.00 N ATOM 578 CA THR A 46 2.775 7.924 7.339 1.00 0.00 C ATOM 579 C THR A 46 4.076 8.103 6.567 1.00 0.00 C ATOM 580 O THR A 46 4.041 8.230 5.332 1.00 0.00 O ATOM 581 CB THR A 46 2.925 6.846 8.446 1.00 0.00 C ATOM 582 OG1 THR A 46 3.062 5.547 7.887 1.00 0.00 O ATOM 583 CG2 THR A 46 1.765 6.869 9.411 1.00 0.00 C ATOM 0 H THR A 46 1.925 6.691 5.920 1.00 0.00 H new ATOM 0 HA THR A 46 2.500 8.843 7.857 1.00 0.00 H new ATOM 0 HB THR A 46 3.833 7.088 8.998 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.314 4.913 8.590 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.908 6.100 10.170 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.710 7.846 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.838 6.677 8.870 1.00 0.00 H new ATOM 591 N SER A 47 5.198 8.137 7.236 1.00 0.00 N ATOM 592 CA SER A 47 6.453 8.291 6.540 1.00 0.00 C ATOM 593 C SER A 47 6.873 6.995 5.850 1.00 0.00 C ATOM 594 O SER A 47 7.649 7.008 4.876 1.00 0.00 O ATOM 595 CB SER A 47 7.531 8.801 7.486 1.00 0.00 C ATOM 596 OG SER A 47 7.127 10.025 8.094 1.00 0.00 O ATOM 0 H SER A 47 5.272 8.061 8.250 1.00 0.00 H new ATOM 0 HA SER A 47 6.316 9.036 5.757 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.730 8.055 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.462 8.950 6.939 1.00 0.00 H new ATOM 0 HG SER A 47 7.831 10.337 8.700 1.00 0.00 H new ATOM 602 N ASP A 48 6.358 5.890 6.315 1.00 0.00 N ATOM 603 CA ASP A 48 6.725 4.629 5.724 1.00 0.00 C ATOM 604 C ASP A 48 5.518 3.898 5.204 1.00 0.00 C ATOM 605 O ASP A 48 5.544 3.366 4.121 1.00 0.00 O ATOM 606 CB ASP A 48 7.480 3.759 6.731 1.00 0.00 C ATOM 607 CG ASP A 48 8.097 2.529 6.116 1.00 0.00 C ATOM 608 OD1 ASP A 48 9.132 2.657 5.411 1.00 0.00 O ATOM 609 OD2 ASP A 48 7.617 1.413 6.383 1.00 0.00 O1- ATOM 0 H ASP A 48 5.694 5.834 7.088 1.00 0.00 H new ATOM 0 HA ASP A 48 7.383 4.838 4.881 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.264 4.355 7.198 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.795 3.456 7.523 1.00 0.00 H new ATOM 614 N GLN A 49 4.433 3.965 5.924 1.00 0.00 N ATOM 615 CA GLN A 49 3.275 3.154 5.598 1.00 0.00 C ATOM 616 C GLN A 49 2.147 3.952 5.012 1.00 0.00 C ATOM 617 O GLN A 49 2.113 5.185 5.082 1.00 0.00 O ATOM 618 CB GLN A 49 2.778 2.376 6.813 1.00 0.00 C ATOM 619 CG GLN A 49 3.677 1.243 7.242 1.00 0.00 C ATOM 620 CD GLN A 49 3.194 0.578 8.513 1.00 0.00 C ATOM 621 OE1 GLN A 49 2.605 1.223 9.384 1.00 0.00 O ATOM 622 NE2 GLN A 49 3.372 -0.704 8.608 1.00 0.00 N ATOM 0 H GLN A 49 4.318 4.568 6.739 1.00 0.00 H new ATOM 0 HA GLN A 49 3.612 2.452 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.662 3.067 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.789 1.974 6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.730 0.502 6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.688 1.621 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.864 -1.207 7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.020 -1.209 9.421 1.00 0.00 H new ATOM 631 N TYR A 50 1.241 3.241 4.418 1.00 0.00 N ATOM 632 CA TYR A 50 0.065 3.800 3.834 1.00 0.00 C ATOM 633 C TYR A 50 -1.150 3.013 4.302 1.00 0.00 C ATOM 634 O TYR A 50 -1.136 1.779 4.297 1.00 0.00 O ATOM 635 CB TYR A 50 0.183 3.796 2.299 1.00 0.00 C ATOM 636 CG TYR A 50 1.302 4.685 1.780 1.00 0.00 C ATOM 637 CD1 TYR A 50 2.597 4.193 1.533 1.00 0.00 C ATOM 638 CD2 TYR A 50 1.071 6.025 1.578 1.00 0.00 C ATOM 639 CE1 TYR A 50 3.600 5.033 1.103 1.00 0.00 C ATOM 640 CE2 TYR A 50 2.069 6.864 1.142 1.00 0.00 C ATOM 641 CZ TYR A 50 3.329 6.368 0.911 1.00 0.00 C ATOM 642 OH TYR A 50 4.322 7.219 0.477 1.00 0.00 O ATOM 0 H TYR A 50 1.302 2.227 4.324 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.051 4.836 4.152 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.351 2.775 1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.763 4.125 1.868 1.00 0.00 H new ATOM 0 HD1 TYR A 50 2.807 3.144 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 50 0.086 6.427 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.591 4.647 0.918 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.863 7.912 0.981 1.00 0.00 H new ATOM 0 HH TYR A 50 5.191 6.897 0.796 1.00 0.00 H new ATOM 652 N LEU A 51 -2.165 3.722 4.753 1.00 0.00 N ATOM 653 CA LEU A 51 -3.391 3.119 5.240 1.00 0.00 C ATOM 654 C LEU A 51 -4.264 2.914 4.049 1.00 0.00 C ATOM 655 O LEU A 51 -4.611 3.881 3.358 1.00 0.00 O ATOM 656 CB LEU A 51 -4.100 4.041 6.247 1.00 0.00 C ATOM 657 CG LEU A 51 -5.313 3.453 6.989 1.00 0.00 C ATOM 658 CD1 LEU A 51 -4.922 2.264 7.833 1.00 0.00 C ATOM 659 CD2 LEU A 51 -5.993 4.512 7.834 1.00 0.00 C ATOM 0 H LEU A 51 -2.163 4.741 4.792 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.176 2.182 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.369 4.359 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.427 4.936 5.717 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.022 3.106 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.803 1.874 8.343 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.499 1.488 7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.181 2.570 8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.848 4.073 8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.287 4.900 8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.334 5.325 7.193 1.00 0.00 H new ATOM 671 N ILE A 52 -4.561 1.693 3.756 1.00 0.00 N ATOM 672 CA ILE A 52 -5.306 1.369 2.567 1.00 0.00 C ATOM 673 C ILE A 52 -6.689 0.882 2.928 1.00 0.00 C ATOM 674 O ILE A 52 -6.835 0.050 3.816 1.00 0.00 O ATOM 675 CB ILE A 52 -4.591 0.270 1.748 1.00 0.00 C ATOM 676 CG1 ILE A 52 -3.078 0.547 1.675 1.00 0.00 C ATOM 677 CG2 ILE A 52 -5.185 0.175 0.345 1.00 0.00 C ATOM 678 CD1 ILE A 52 -2.719 1.840 1.005 1.00 0.00 C ATOM 0 H ILE A 52 -4.300 0.888 4.325 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.378 2.276 1.967 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.742 -0.685 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.672 0.550 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.596 -0.272 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.669 -0.604 -0.217 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.245 -0.069 0.414 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.066 1.130 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.635 1.957 0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.092 1.835 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.169 2.670 1.551 1.00 0.00 H new ATOM 690 N ARG A 53 -7.679 1.415 2.264 1.00 0.00 N ATOM 691 CA ARG A 53 -9.032 1.002 2.444 1.00 0.00 C ATOM 692 C ARG A 53 -9.390 0.121 1.292 1.00 0.00 C ATOM 693 O ARG A 53 -9.389 0.557 0.140 1.00 0.00 O ATOM 694 CB ARG A 53 -9.997 2.192 2.490 1.00 0.00 C ATOM 695 CG ARG A 53 -11.451 1.801 2.711 1.00 0.00 C ATOM 696 CD ARG A 53 -12.354 3.011 2.658 1.00 0.00 C ATOM 697 NE ARG A 53 -12.357 3.618 1.320 1.00 0.00 N ATOM 698 CZ ARG A 53 -12.430 4.931 1.063 1.00 0.00 C ATOM 699 NH1 ARG A 53 -12.662 5.798 2.042 1.00 0.00 N1+ ATOM 700 NH2 ARG A 53 -12.330 5.361 -0.182 1.00 0.00 N ATOM 0 H ARG A 53 -7.560 2.158 1.575 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.119 0.479 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.688 2.867 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.919 2.747 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.757 1.082 1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.555 1.308 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.369 2.722 2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.024 3.746 3.392 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.299 2.988 0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.786 5.466 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.716 6.796 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.198 4.694 -0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.385 6.360 -0.383 1.00 0.00 H new ATOM 714 N PHE A 54 -9.673 -1.088 1.586 1.00 0.00 N ATOM 715 CA PHE A 54 -10.013 -2.052 0.583 1.00 0.00 C ATOM 716 C PHE A 54 -11.491 -1.972 0.282 1.00 0.00 C ATOM 717 O PHE A 54 -12.220 -1.204 0.928 1.00 0.00 O ATOM 718 CB PHE A 54 -9.600 -3.445 1.044 1.00 0.00 C ATOM 719 CG PHE A 54 -8.125 -3.537 1.293 1.00 0.00 C ATOM 720 CD1 PHE A 54 -7.266 -3.868 0.270 1.00 0.00 C ATOM 721 CD2 PHE A 54 -7.599 -3.267 2.545 1.00 0.00 C ATOM 722 CE1 PHE A 54 -5.911 -3.929 0.484 1.00 0.00 C ATOM 723 CE2 PHE A 54 -6.245 -3.327 2.765 1.00 0.00 C ATOM 724 CZ PHE A 54 -5.395 -3.659 1.732 1.00 0.00 C ATOM 0 H PHE A 54 -9.679 -1.454 2.538 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.473 -1.837 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.139 -3.700 1.957 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.887 -4.177 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.662 -4.082 -0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.261 -3.006 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.248 -4.189 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.847 -3.114 3.746 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.329 -3.707 1.900 1.00 0.00 H new ATOM 734 N ASP A 55 -11.956 -2.768 -0.662 1.00 0.00 N ATOM 735 CA ASP A 55 -13.365 -2.727 -1.063 1.00 0.00 C ATOM 736 C ASP A 55 -14.266 -3.219 0.058 1.00 0.00 C ATOM 737 O ASP A 55 -15.441 -2.872 0.134 1.00 0.00 O ATOM 738 CB ASP A 55 -13.625 -3.504 -2.351 1.00 0.00 C ATOM 739 CG ASP A 55 -15.046 -3.320 -2.831 1.00 0.00 C ATOM 740 OD1 ASP A 55 -15.389 -2.200 -3.295 1.00 0.00 O ATOM 741 OD2 ASP A 55 -15.850 -4.267 -2.762 1.00 0.00 O1- ATOM 0 H ASP A 55 -11.390 -3.449 -1.167 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.606 -1.683 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.933 -3.171 -3.124 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.431 -4.563 -2.184 1.00 0.00 H new ATOM 746 N ASP A 56 -13.674 -3.948 0.995 1.00 0.00 N ATOM 747 CA ASP A 56 -14.415 -4.450 2.156 1.00 0.00 C ATOM 748 C ASP A 56 -14.465 -3.378 3.218 1.00 0.00 C ATOM 749 O ASP A 56 -14.910 -3.622 4.338 1.00 0.00 O ATOM 750 CB ASP A 56 -13.713 -5.654 2.784 1.00 0.00 C ATOM 751 CG ASP A 56 -13.443 -6.792 1.851 1.00 0.00 C ATOM 752 OD1 ASP A 56 -12.398 -6.757 1.149 1.00 0.00 O ATOM 753 OD2 ASP A 56 -14.227 -7.763 1.827 1.00 0.00 O1- ATOM 0 H ASP A 56 -12.687 -4.207 0.979 1.00 0.00 H new ATOM 0 HA ASP A 56 -15.410 -4.733 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.766 -5.321 3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.323 -6.019 3.610 1.00 0.00 H new ATOM 758 N GLN A 57 -13.987 -2.185 2.855 1.00 0.00 N ATOM 759 CA GLN A 57 -13.986 -1.001 3.708 1.00 0.00 C ATOM 760 C GLN A 57 -13.105 -1.207 4.936 1.00 0.00 C ATOM 761 O GLN A 57 -13.243 -0.522 5.946 1.00 0.00 O ATOM 762 CB GLN A 57 -15.421 -0.597 4.067 1.00 0.00 C ATOM 763 CG GLN A 57 -16.292 -0.338 2.836 1.00 0.00 C ATOM 764 CD GLN A 57 -15.786 0.814 1.976 1.00 0.00 C ATOM 765 OE1 GLN A 57 -16.162 1.958 2.162 1.00 0.00 O ATOM 766 NE2 GLN A 57 -14.944 0.519 1.024 1.00 0.00 N ATOM 0 H GLN A 57 -13.580 -2.015 1.935 1.00 0.00 H new ATOM 0 HA GLN A 57 -13.549 -0.170 3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -15.875 -1.385 4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -15.397 0.301 4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -16.334 -1.244 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.311 -0.123 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.645 -0.447 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.585 1.254 0.415 1.00 0.00 H new ATOM 775 N SER A 58 -12.191 -2.141 4.823 1.00 0.00 N ATOM 776 CA SER A 58 -11.237 -2.405 5.856 1.00 0.00 C ATOM 777 C SER A 58 -10.018 -1.546 5.576 1.00 0.00 C ATOM 778 O SER A 58 -9.689 -1.301 4.404 1.00 0.00 O ATOM 779 CB SER A 58 -10.866 -3.900 5.868 1.00 0.00 C ATOM 780 OG SER A 58 -9.984 -4.228 6.935 1.00 0.00 O ATOM 0 H SER A 58 -12.094 -2.740 4.003 1.00 0.00 H new ATOM 0 HA SER A 58 -11.649 -2.165 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.774 -4.497 5.953 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.399 -4.164 4.919 1.00 0.00 H new ATOM 0 HG SER A 58 -9.777 -5.185 6.905 1.00 0.00 H new ATOM 786 N GLU A 59 -9.382 -1.083 6.616 1.00 0.00 N ATOM 787 CA GLU A 59 -8.238 -0.212 6.490 1.00 0.00 C ATOM 788 C GLU A 59 -7.025 -0.893 7.107 1.00 0.00 C ATOM 789 O GLU A 59 -7.092 -1.357 8.246 1.00 0.00 O ATOM 790 CB GLU A 59 -8.490 1.103 7.211 1.00 0.00 C ATOM 791 CG GLU A 59 -9.740 1.831 6.759 1.00 0.00 C ATOM 792 CD GLU A 59 -9.935 3.131 7.477 1.00 0.00 C ATOM 793 OE1 GLU A 59 -10.082 3.123 8.719 1.00 0.00 O ATOM 794 OE2 GLU A 59 -10.011 4.178 6.825 1.00 0.00 O1- ATOM 0 H GLU A 59 -9.640 -1.297 7.579 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.062 -0.009 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.563 0.909 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.630 1.756 7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.681 2.017 5.687 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.608 1.194 6.925 1.00 0.00 H new ATOM 801 N GLN A 60 -5.945 -0.973 6.371 1.00 0.00 N ATOM 802 CA GLN A 60 -4.723 -1.610 6.868 1.00 0.00 C ATOM 803 C GLN A 60 -3.521 -0.750 6.542 1.00 0.00 C ATOM 804 O GLN A 60 -3.487 -0.124 5.485 1.00 0.00 O ATOM 805 CB GLN A 60 -4.502 -2.977 6.215 1.00 0.00 C ATOM 806 CG GLN A 60 -5.628 -3.981 6.386 1.00 0.00 C ATOM 807 CD GLN A 60 -5.349 -5.302 5.686 1.00 0.00 C ATOM 808 OE1 GLN A 60 -4.093 -5.704 5.616 1.00 0.00 O flip ATOM 809 NE2 GLN A 60 -6.268 -5.974 5.225 1.00 0.00 N flip ATOM 0 H GLN A 60 -5.874 -0.608 5.421 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.838 -1.731 7.945 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.334 -2.826 5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.589 -3.410 6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.787 -4.164 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.552 -3.555 5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.229 -5.639 5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -6.070 -6.867 4.774 1.00 0.00 H new ATOM 818 N TRP A 61 -2.535 -0.740 7.416 1.00 0.00 N ATOM 819 CA TRP A 61 -1.293 -0.023 7.160 1.00 0.00 C ATOM 820 C TRP A 61 -0.354 -0.951 6.451 1.00 0.00 C ATOM 821 O TRP A 61 0.024 -1.999 6.978 1.00 0.00 O ATOM 822 CB TRP A 61 -0.641 0.492 8.454 1.00 0.00 C ATOM 823 CG TRP A 61 -1.343 1.658 9.057 1.00 0.00 C ATOM 824 CD1 TRP A 61 -2.193 1.650 10.115 1.00 0.00 C ATOM 825 CD2 TRP A 61 -1.256 3.019 8.618 1.00 0.00 C ATOM 826 NE1 TRP A 61 -2.644 2.916 10.361 1.00 0.00 N ATOM 827 CE2 TRP A 61 -2.085 3.778 9.452 1.00 0.00 C ATOM 828 CE3 TRP A 61 -0.559 3.663 7.599 1.00 0.00 C ATOM 829 CZ2 TRP A 61 -2.238 5.155 9.290 1.00 0.00 C ATOM 830 CZ3 TRP A 61 -0.710 5.023 7.437 1.00 0.00 C ATOM 831 CH2 TRP A 61 -1.541 5.755 8.274 1.00 0.00 C ATOM 0 H TRP A 61 -2.566 -1.221 8.315 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.516 0.851 6.548 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.611 -0.319 9.182 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.392 0.770 8.244 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.472 0.772 10.679 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.293 3.178 11.103 1.00 0.00 H new ATOM 0 HE3 TRP A 61 0.092 3.103 6.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.882 5.727 9.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.174 5.527 6.647 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.640 6.820 8.121 1.00 0.00 H new ATOM 842 N CYS A 62 -0.034 -0.608 5.250 1.00 0.00 N ATOM 843 CA CYS A 62 0.781 -1.426 4.424 1.00 0.00 C ATOM 844 C CYS A 62 2.027 -0.660 4.009 1.00 0.00 C ATOM 845 O CYS A 62 1.971 0.561 3.815 1.00 0.00 O ATOM 846 CB CYS A 62 -0.034 -1.819 3.203 1.00 0.00 C ATOM 847 SG CYS A 62 -1.654 -2.522 3.620 1.00 0.00 S ATOM 0 H CYS A 62 -0.336 0.261 4.810 1.00 0.00 H new ATOM 0 HA CYS A 62 1.097 -2.320 4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.177 -0.942 2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.529 -2.545 2.616 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.347 -1.648 4.288 1.00 0.00 H new ATOM 853 N GLU A 63 3.140 -1.360 3.923 1.00 0.00 N ATOM 854 CA GLU A 63 4.396 -0.773 3.511 1.00 0.00 C ATOM 855 C GLU A 63 4.435 -0.526 2.008 1.00 0.00 C ATOM 856 O GLU A 63 3.737 -1.206 1.250 1.00 0.00 O ATOM 857 CB GLU A 63 5.581 -1.617 3.958 1.00 0.00 C ATOM 858 CG GLU A 63 5.833 -1.564 5.437 1.00 0.00 C ATOM 859 CD GLU A 63 5.058 -2.603 6.216 1.00 0.00 C ATOM 860 OE1 GLU A 63 3.904 -2.361 6.571 1.00 0.00 O ATOM 861 OE2 GLU A 63 5.607 -3.690 6.486 1.00 0.00 O1- ATOM 0 H GLU A 63 3.198 -2.355 4.138 1.00 0.00 H new ATOM 0 HA GLU A 63 4.474 0.195 4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.410 -2.653 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.475 -1.280 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.898 -1.702 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.571 -0.573 5.807 1.00 0.00 H new ATOM 868 N PRO A 64 5.292 0.418 1.544 1.00 0.00 N ATOM 869 CA PRO A 64 5.310 0.856 0.146 1.00 0.00 C ATOM 870 C PRO A 64 5.715 -0.233 -0.856 1.00 0.00 C ATOM 871 O PRO A 64 5.354 -0.160 -2.026 1.00 0.00 O ATOM 872 CB PRO A 64 6.269 2.049 0.136 1.00 0.00 C ATOM 873 CG PRO A 64 7.145 1.867 1.328 1.00 0.00 C ATOM 874 CD PRO A 64 6.322 1.135 2.355 1.00 0.00 C ATOM 0 HA PRO A 64 4.307 1.118 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.856 2.073 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.724 2.991 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.038 1.298 1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.480 2.830 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.931 0.440 2.933 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.864 1.824 3.065 1.00 0.00 H new ATOM 882 N ASP A 65 6.436 -1.248 -0.395 1.00 0.00 N ATOM 883 CA ASP A 65 6.816 -2.380 -1.258 1.00 0.00 C ATOM 884 C ASP A 65 5.618 -3.280 -1.533 1.00 0.00 C ATOM 885 O ASP A 65 5.623 -4.072 -2.476 1.00 0.00 O ATOM 886 CB ASP A 65 7.952 -3.224 -0.649 1.00 0.00 C ATOM 887 CG ASP A 65 7.550 -3.986 0.601 1.00 0.00 C ATOM 888 OD1 ASP A 65 7.567 -3.393 1.698 1.00 0.00 O ATOM 889 OD2 ASP A 65 7.242 -5.205 0.517 1.00 0.00 O1- ATOM 0 H ASP A 65 6.772 -1.318 0.565 1.00 0.00 H new ATOM 0 HA ASP A 65 7.174 -1.948 -2.192 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.306 -3.933 -1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.790 -2.569 -0.410 1.00 0.00 H new ATOM 894 N LYS A 66 4.590 -3.163 -0.703 1.00 0.00 N ATOM 895 CA LYS A 66 3.395 -3.985 -0.840 1.00 0.00 C ATOM 896 C LYS A 66 2.422 -3.332 -1.771 1.00 0.00 C ATOM 897 O LYS A 66 1.498 -3.960 -2.247 1.00 0.00 O ATOM 898 CB LYS A 66 2.709 -4.213 0.514 1.00 0.00 C ATOM 899 CG LYS A 66 3.545 -4.952 1.526 1.00 0.00 C ATOM 900 CD LYS A 66 3.975 -6.293 0.985 1.00 0.00 C ATOM 901 CE LYS A 66 4.715 -7.082 2.018 1.00 0.00 C ATOM 902 NZ LYS A 66 5.892 -6.341 2.537 1.00 0.00 N1+ ATOM 0 H LYS A 66 4.560 -2.504 0.075 1.00 0.00 H new ATOM 0 HA LYS A 66 3.708 -4.949 -1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.428 -3.246 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.786 -4.769 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.423 -4.359 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.975 -5.091 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.100 -6.852 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.610 -6.149 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.044 -7.322 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.042 -8.029 1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.596 -7.016 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.314 -5.778 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.592 -5.708 3.306 1.00 0.00 H new ATOM 916 N LEU A 67 2.664 -2.091 -2.033 1.00 0.00 N ATOM 917 CA LEU A 67 1.815 -1.289 -2.842 1.00 0.00 C ATOM 918 C LEU A 67 2.377 -1.223 -4.220 1.00 0.00 C ATOM 919 O LEU A 67 3.592 -1.125 -4.385 1.00 0.00 O ATOM 920 CB LEU A 67 1.752 0.106 -2.252 1.00 0.00 C ATOM 921 CG LEU A 67 1.040 0.231 -0.923 1.00 0.00 C ATOM 922 CD1 LEU A 67 1.813 1.092 0.021 1.00 0.00 C ATOM 923 CD2 LEU A 67 -0.268 0.856 -1.144 1.00 0.00 C ATOM 0 H LEU A 67 3.482 -1.595 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 67 0.814 -1.718 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.771 0.475 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.258 0.761 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 67 0.936 -0.765 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.278 1.165 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.796 0.653 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.930 2.088 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.791 0.951 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.130 1.844 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.857 0.238 -1.821 1.00 0.00 H new ATOM 935 N ARG A 68 1.529 -1.317 -5.205 1.00 0.00 N ATOM 936 CA ARG A 68 1.940 -1.194 -6.588 1.00 0.00 C ATOM 937 C ARG A 68 0.974 -0.246 -7.275 1.00 0.00 C ATOM 938 O ARG A 68 -0.242 -0.321 -7.022 1.00 0.00 O ATOM 939 CB ARG A 68 1.898 -2.561 -7.305 1.00 0.00 C ATOM 940 CG ARG A 68 2.662 -3.701 -6.615 1.00 0.00 C ATOM 941 CD ARG A 68 4.134 -3.390 -6.387 1.00 0.00 C ATOM 942 NE ARG A 68 4.845 -3.050 -7.614 1.00 0.00 N ATOM 943 CZ ARG A 68 6.136 -2.711 -7.674 1.00 0.00 C ATOM 944 NH1 ARG A 68 6.898 -2.721 -6.562 1.00 0.00 N1+ ATOM 945 NH2 ARG A 68 6.659 -2.364 -8.839 1.00 0.00 N ATOM 0 H ARG A 68 0.530 -1.481 -5.079 1.00 0.00 H new ATOM 0 HA ARG A 68 2.963 -0.821 -6.629 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.856 -2.861 -7.414 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.300 -2.435 -8.310 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.191 -3.916 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.578 -4.603 -7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.219 -2.562 -5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.614 -4.252 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 68 4.320 -3.073 -8.488 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.490 -2.989 -5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.883 -2.461 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.078 -2.358 -9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.643 -2.103 -8.899 1.00 0.00 H new ATOM 959 N LYS A 69 1.486 0.645 -8.123 1.00 0.00 N ATOM 960 CA LYS A 69 0.626 1.579 -8.844 1.00 0.00 C ATOM 961 C LYS A 69 -0.123 0.831 -9.927 1.00 0.00 C ATOM 962 O LYS A 69 0.375 -0.171 -10.451 1.00 0.00 O ATOM 963 CB LYS A 69 1.401 2.755 -9.494 1.00 0.00 C ATOM 964 CG LYS A 69 2.048 3.760 -8.546 1.00 0.00 C ATOM 965 CD LYS A 69 3.332 3.233 -7.939 1.00 0.00 C ATOM 966 CE LYS A 69 4.004 4.261 -7.035 1.00 0.00 C ATOM 967 NZ LYS A 69 4.402 5.484 -7.730 1.00 0.00 N1+ ATOM 0 H LYS A 69 2.481 0.739 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.055 2.009 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.181 2.337 -10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.714 3.296 -10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.256 4.684 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.347 4.008 -7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.118 2.331 -7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.019 2.948 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.323 4.520 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.885 3.810 -6.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.176 5.943 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.723 5.248 -8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.590 6.132 -7.786 1.00 0.00 H new ATOM 981 N LEU A 70 -1.314 1.273 -10.258 1.00 0.00 N ATOM 982 CA LEU A 70 -2.060 0.604 -11.314 1.00 0.00 C ATOM 983 C LEU A 70 -1.564 1.084 -12.662 1.00 0.00 C ATOM 984 O LEU A 70 -1.463 0.314 -13.619 1.00 0.00 O ATOM 985 CB LEU A 70 -3.566 0.875 -11.192 1.00 0.00 C ATOM 986 CG LEU A 70 -4.203 0.594 -9.832 1.00 0.00 C ATOM 987 CD1 LEU A 70 -5.698 0.738 -9.894 1.00 0.00 C ATOM 988 CD2 LEU A 70 -3.834 -0.765 -9.313 1.00 0.00 C ATOM 0 H LEU A 70 -1.783 2.071 -9.829 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.901 -0.470 -11.218 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.746 1.920 -11.443 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.082 0.274 -11.941 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.810 1.336 -9.137 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.124 0.532 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.953 1.754 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.102 0.032 -10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.307 -0.925 -8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.175 -1.527 -10.014 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.752 -0.831 -9.203 1.00 0.00 H new ATOM 1000 N GLY A 71 -1.173 2.330 -12.699 1.00 0.00 N ATOM 1001 CA GLY A 71 -0.686 2.937 -13.891 1.00 0.00 C ATOM 1002 C GLY A 71 0.402 3.899 -13.550 1.00 0.00 C ATOM 1003 O GLY A 71 0.396 4.476 -12.453 1.00 0.00 O ATOM 0 H GLY A 71 -1.187 2.951 -11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.311 2.174 -14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.496 3.455 -14.405 1.00 0.00 H new ATOM 1007 N GLY A 72 1.326 4.075 -14.438 1.00 0.00 N ATOM 1008 CA GLY A 72 2.430 4.939 -14.182 1.00 0.00 C ATOM 1009 C GLY A 72 3.562 4.173 -13.572 1.00 0.00 C ATOM 1010 O GLY A 72 4.287 3.463 -14.271 1.00 0.00 O ATOM 0 H GLY A 72 1.337 3.627 -15.354 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.757 5.406 -15.111 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.123 5.742 -13.512 1.00 0.00 H new ATOM 1014 N GLY A 73 3.698 4.268 -12.279 1.00 0.00 N ATOM 1015 CA GLY A 73 4.764 3.571 -11.616 1.00 0.00 C ATOM 1016 C GLY A 73 5.689 4.545 -10.971 1.00 0.00 C ATOM 1017 O GLY A 73 5.909 4.507 -9.760 1.00 0.00 O ATOM 0 H GLY A 73 3.091 4.815 -11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.355 2.894 -10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.310 2.959 -12.334 1.00 0.00 H new ATOM 1021 N SER A 74 6.200 5.455 -11.761 1.00 0.00 N ATOM 1022 CA SER A 74 7.023 6.521 -11.252 1.00 0.00 C ATOM 1023 C SER A 74 6.112 7.557 -10.577 1.00 0.00 C ATOM 1024 O SER A 74 6.535 8.329 -9.712 1.00 0.00 O ATOM 1025 CB SER A 74 7.810 7.130 -12.400 1.00 0.00 C ATOM 1026 OG SER A 74 8.538 6.111 -13.094 1.00 0.00 O ATOM 0 H SER A 74 6.058 5.478 -12.771 1.00 0.00 H new ATOM 0 HA SER A 74 7.736 6.152 -10.514 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.132 7.636 -13.088 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.499 7.884 -12.019 1.00 0.00 H new ATOM 0 HG SER A 74 8.910 6.481 -13.922 1.00 0.00 H new ATOM 1032 N SER A 75 4.869 7.517 -10.966 1.00 0.00 N ATOM 1033 CA SER A 75 3.833 8.320 -10.419 1.00 0.00 C ATOM 1034 C SER A 75 2.889 7.352 -9.722 1.00 0.00 C ATOM 1035 O SER A 75 2.757 7.400 -8.475 1.00 0.00 O ATOM 1036 CB SER A 75 3.119 9.047 -11.551 1.00 0.00 C ATOM 1037 OG SER A 75 4.068 9.698 -12.406 1.00 0.00 O ATOM 1038 OXT SER A 75 2.432 6.409 -10.401 1.00 0.00 O ATOM 0 H SER A 75 4.545 6.894 -11.706 1.00 0.00 H new ATOM 0 HA SER A 75 4.207 9.072 -9.724 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.526 8.339 -12.129 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.427 9.782 -11.140 1.00 0.00 H new ATOM 0 HG SER A 75 3.594 10.159 -13.129 1.00 0.00 H new TER 1044 SER A 75