USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=22 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 Set 1.1: A 25 CYS SG : rot 180:sc= -0.094 USER MOD Set 1.2: A 53 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 16 TYR OH : rot -136:sc= 0.811 USER MOD Set 2.2: A 42 MET CE :methyl -167:sc= -0.51 (180deg=-1.24) USER MOD Set 3.1: A 38 ASN : amide:sc= -2.09! C(o=-1.7!,f=-8!) USER MOD Set 3.2: A 40 GLN : amide:sc= 0.396 K(o=-1.7,f=-8.8) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 46:sc= 0.055 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -111:sc= -0.368 (180deg=-1.08) USER MOD Single : A 11 THR OG1 : rot 146:sc= 0.469 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 27 SER OG : rot 13:sc= 0.0124 USER MOD Single : A 28 GLN : amide:sc= -0.0397 K(o=-0.04,f=-0.65) USER MOD Single : A 33 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.7!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -0.836 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -0.42 F(o=-1.2,f=-0.42) USER MOD Single : A 50 SER OG : rot -166:sc= 0.0956 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.134 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00245 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.728 4.727 -16.657 1.00 0.00 N ATOM 2 CA GLY A 1 13.853 3.856 -17.811 1.00 0.00 C ATOM 3 C GLY A 1 12.704 2.874 -17.923 1.00 0.00 C ATOM 4 O GLY A 1 11.542 3.273 -18.000 1.00 0.00 O ATOM 0 H1 GLY A 1 14.537 5.379 -16.625 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.846 5.273 -16.728 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.711 4.154 -15.790 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.899 4.462 -18.716 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.792 3.306 -17.747 1.00 0.00 H new ATOM 8 N SER A 2 13.028 1.584 -17.934 1.00 0.00 N ATOM 9 CA SER A 2 12.015 0.542 -18.043 1.00 0.00 C ATOM 10 C SER A 2 11.668 -0.025 -16.670 1.00 0.00 C ATOM 11 O SER A 2 12.356 -0.909 -16.160 1.00 0.00 O ATOM 12 CB SER A 2 12.503 -0.579 -18.962 1.00 0.00 C ATOM 13 OG SER A 2 11.412 -1.279 -19.537 1.00 0.00 O ATOM 0 H SER A 2 13.985 1.236 -17.869 1.00 0.00 H new ATOM 0 HA SER A 2 11.116 0.987 -18.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.127 -0.160 -19.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.126 -1.272 -18.396 1.00 0.00 H new ATOM 0 HG SER A 2 11.750 -1.989 -20.121 1.00 0.00 H new ATOM 19 N SER A 3 10.596 0.491 -16.077 1.00 0.00 N ATOM 20 CA SER A 3 10.159 0.040 -14.761 1.00 0.00 C ATOM 21 C SER A 3 8.856 -0.748 -14.861 1.00 0.00 C ATOM 22 O SER A 3 7.861 -0.257 -15.392 1.00 0.00 O ATOM 23 CB SER A 3 9.975 1.235 -13.824 1.00 0.00 C ATOM 24 OG SER A 3 9.216 2.257 -14.444 1.00 0.00 O ATOM 0 H SER A 3 10.014 1.222 -16.487 1.00 0.00 H new ATOM 0 HA SER A 3 10.929 -0.616 -14.355 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.477 0.911 -12.910 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.950 1.627 -13.534 1.00 0.00 H new ATOM 0 HG SER A 3 8.437 1.862 -14.888 1.00 0.00 H new ATOM 30 N GLY A 4 8.872 -1.974 -14.348 1.00 0.00 N ATOM 31 CA GLY A 4 7.687 -2.811 -14.389 1.00 0.00 C ATOM 32 C GLY A 4 6.580 -2.294 -13.491 1.00 0.00 C ATOM 33 O GLY A 4 5.643 -1.647 -13.959 1.00 0.00 O ATOM 0 H GLY A 4 9.684 -2.403 -13.905 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.322 -2.868 -15.414 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.951 -3.825 -14.088 1.00 0.00 H new ATOM 37 N SER A 5 6.687 -2.581 -12.198 1.00 0.00 N ATOM 38 CA SER A 5 5.684 -2.146 -11.233 1.00 0.00 C ATOM 39 C SER A 5 6.108 -0.845 -10.559 1.00 0.00 C ATOM 40 O SER A 5 7.208 -0.744 -10.015 1.00 0.00 O ATOM 41 CB SER A 5 5.456 -3.230 -10.178 1.00 0.00 C ATOM 42 OG SER A 5 5.150 -4.474 -10.783 1.00 0.00 O ATOM 0 H SER A 5 7.458 -3.113 -11.794 1.00 0.00 H new ATOM 0 HA SER A 5 4.752 -1.970 -11.769 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.347 -3.333 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.641 -2.933 -9.517 1.00 0.00 H new ATOM 0 HG SER A 5 5.010 -5.150 -10.088 1.00 0.00 H new ATOM 48 N SER A 6 5.227 0.150 -10.598 1.00 0.00 N ATOM 49 CA SER A 6 5.511 1.447 -9.995 1.00 0.00 C ATOM 50 C SER A 6 4.228 2.250 -9.805 1.00 0.00 C ATOM 51 O SER A 6 3.179 1.903 -10.347 1.00 0.00 O ATOM 52 CB SER A 6 6.494 2.233 -10.864 1.00 0.00 C ATOM 53 OG SER A 6 5.928 2.538 -12.127 1.00 0.00 O ATOM 0 H SER A 6 4.311 0.083 -11.041 1.00 0.00 H new ATOM 0 HA SER A 6 5.960 1.275 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.776 3.155 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.407 1.653 -11.002 1.00 0.00 H new ATOM 0 HG SER A 6 6.576 3.042 -12.663 1.00 0.00 H new ATOM 59 N GLY A 7 4.320 3.326 -9.030 1.00 0.00 N ATOM 60 CA GLY A 7 3.160 4.162 -8.781 1.00 0.00 C ATOM 61 C GLY A 7 3.479 5.346 -7.890 1.00 0.00 C ATOM 62 O GLY A 7 4.640 5.728 -7.745 1.00 0.00 O ATOM 0 H GLY A 7 5.177 3.634 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.765 4.522 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.377 3.563 -8.317 1.00 0.00 H new ATOM 66 N SER A 8 2.446 5.930 -7.291 1.00 0.00 N ATOM 67 CA SER A 8 2.622 7.081 -6.413 1.00 0.00 C ATOM 68 C SER A 8 3.331 6.678 -5.124 1.00 0.00 C ATOM 69 O SER A 8 2.888 5.776 -4.413 1.00 0.00 O ATOM 70 CB SER A 8 1.266 7.712 -6.087 1.00 0.00 C ATOM 71 OG SER A 8 1.428 8.969 -5.452 1.00 0.00 O ATOM 0 H SER A 8 1.479 5.625 -7.398 1.00 0.00 H new ATOM 0 HA SER A 8 3.240 7.813 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.689 7.836 -7.004 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.697 7.045 -5.440 1.00 0.00 H new ATOM 0 HG SER A 8 0.548 9.352 -5.256 1.00 0.00 H new ATOM 77 N THR A 9 4.437 7.354 -4.828 1.00 0.00 N ATOM 78 CA THR A 9 5.210 7.068 -3.626 1.00 0.00 C ATOM 79 C THR A 9 4.583 7.722 -2.400 1.00 0.00 C ATOM 80 O THR A 9 4.030 8.818 -2.485 1.00 0.00 O ATOM 81 CB THR A 9 6.665 7.552 -3.765 1.00 0.00 C ATOM 82 OG1 THR A 9 7.196 7.152 -5.034 1.00 0.00 O ATOM 83 CG2 THR A 9 7.531 6.991 -2.648 1.00 0.00 C ATOM 0 H THR A 9 4.818 8.104 -5.405 1.00 0.00 H new ATOM 0 HA THR A 9 5.206 5.986 -3.498 1.00 0.00 H new ATOM 0 HB THR A 9 6.670 8.640 -3.696 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.121 7.465 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.554 7.347 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.142 7.322 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.518 5.902 -2.690 1.00 0.00 H new ATOM 91 N MET A 10 4.674 7.044 -1.261 1.00 0.00 N ATOM 92 CA MET A 10 4.117 7.562 -0.017 1.00 0.00 C ATOM 93 C MET A 10 5.011 7.209 1.167 1.00 0.00 C ATOM 94 O MET A 10 5.617 6.137 1.204 1.00 0.00 O ATOM 95 CB MET A 10 2.710 7.005 0.207 1.00 0.00 C ATOM 96 CG MET A 10 1.778 7.214 -0.975 1.00 0.00 C ATOM 97 SD MET A 10 0.040 7.021 -0.532 1.00 0.00 S ATOM 98 CE MET A 10 -0.370 8.691 -0.033 1.00 0.00 C ATOM 0 H MET A 10 5.128 6.135 -1.174 1.00 0.00 H new ATOM 0 HA MET A 10 4.062 8.648 -0.097 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.780 5.938 0.420 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.277 7.478 1.088 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.936 8.211 -1.385 1.00 0.00 H new ATOM 0 HG3 MET A 10 2.030 6.502 -1.761 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.545 8.717 1.042 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.455 9.358 -0.282 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.270 9.016 -0.555 1.00 0.00 H new ATOM 108 N THR A 11 5.090 8.117 2.135 1.00 0.00 N ATOM 109 CA THR A 11 5.911 7.902 3.320 1.00 0.00 C ATOM 110 C THR A 11 5.048 7.592 4.538 1.00 0.00 C ATOM 111 O THR A 11 4.124 8.338 4.863 1.00 0.00 O ATOM 112 CB THR A 11 6.788 9.130 3.626 1.00 0.00 C ATOM 113 OG1 THR A 11 7.549 9.490 2.467 1.00 0.00 O ATOM 114 CG2 THR A 11 7.729 8.848 4.788 1.00 0.00 C ATOM 0 H THR A 11 4.595 9.009 2.121 1.00 0.00 H new ATOM 0 HA THR A 11 6.555 7.049 3.108 1.00 0.00 H new ATOM 0 HB THR A 11 6.133 9.956 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.648 10.464 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.338 9.730 4.985 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.147 8.603 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.377 8.009 4.536 1.00 0.00 H new ATOM 122 N VAL A 12 5.356 6.487 5.210 1.00 0.00 N ATOM 123 CA VAL A 12 4.610 6.079 6.394 1.00 0.00 C ATOM 124 C VAL A 12 4.645 7.163 7.466 1.00 0.00 C ATOM 125 O VAL A 12 5.708 7.493 7.994 1.00 0.00 O ATOM 126 CB VAL A 12 5.165 4.770 6.984 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.326 4.320 8.170 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.221 3.686 5.918 1.00 0.00 C ATOM 0 H VAL A 12 6.117 5.858 4.954 1.00 0.00 H new ATOM 0 HA VAL A 12 3.579 5.917 6.079 1.00 0.00 H new ATOM 0 HB VAL A 12 6.180 4.953 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.734 3.393 8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.343 5.090 8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.298 4.154 7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.616 2.768 6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.218 3.503 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.869 4.010 5.104 1.00 0.00 H new ATOM 138 N ILE A 13 3.478 7.712 7.783 1.00 0.00 N ATOM 139 CA ILE A 13 3.375 8.757 8.794 1.00 0.00 C ATOM 140 C ILE A 13 3.338 8.163 10.198 1.00 0.00 C ATOM 141 O ILE A 13 3.699 8.822 11.173 1.00 0.00 O ATOM 142 CB ILE A 13 2.120 9.624 8.582 1.00 0.00 C ATOM 143 CG1 ILE A 13 0.858 8.765 8.678 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.186 10.331 7.236 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.416 9.572 8.786 1.00 0.00 C ATOM 0 H ILE A 13 2.590 7.451 7.354 1.00 0.00 H new ATOM 0 HA ILE A 13 4.261 9.384 8.691 1.00 0.00 H new ATOM 0 HB ILE A 13 2.082 10.380 9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.798 8.123 7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.939 8.111 9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.292 10.940 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.069 10.970 7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.245 9.590 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.270 8.897 8.850 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.378 10.195 9.680 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.520 10.206 7.906 1.00 0.00 H new ATOM 157 N LYS A 14 2.900 6.912 10.293 1.00 0.00 N ATOM 158 CA LYS A 14 2.818 6.225 11.577 1.00 0.00 C ATOM 159 C LYS A 14 3.016 4.723 11.404 1.00 0.00 C ATOM 160 O LYS A 14 2.810 4.181 10.318 1.00 0.00 O ATOM 161 CB LYS A 14 1.466 6.499 12.239 1.00 0.00 C ATOM 162 CG LYS A 14 1.161 7.977 12.413 1.00 0.00 C ATOM 163 CD LYS A 14 -0.302 8.209 12.749 1.00 0.00 C ATOM 164 CE LYS A 14 -0.594 7.903 14.210 1.00 0.00 C ATOM 165 NZ LYS A 14 -1.807 8.618 14.695 1.00 0.00 N ATOM 0 H LYS A 14 2.596 6.353 9.496 1.00 0.00 H new ATOM 0 HA LYS A 14 3.613 6.607 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.678 6.042 11.639 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.444 6.015 13.215 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.787 8.388 13.205 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.414 8.512 11.498 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.566 9.244 12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.926 7.582 12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.731 6.829 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.264 8.188 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.972 8.383 15.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.667 9.644 14.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.631 8.327 14.131 1.00 0.00 H new ATOM 179 N ASP A 15 3.416 4.056 12.481 1.00 0.00 N ATOM 180 CA ASP A 15 3.640 2.615 12.449 1.00 0.00 C ATOM 181 C ASP A 15 2.340 1.870 12.163 1.00 0.00 C ATOM 182 O ASP A 15 1.256 2.451 12.211 1.00 0.00 O ATOM 183 CB ASP A 15 4.234 2.140 13.776 1.00 0.00 C ATOM 184 CG ASP A 15 3.378 2.529 14.965 1.00 0.00 C ATOM 185 OD1 ASP A 15 3.593 3.628 15.516 1.00 0.00 O ATOM 186 OD2 ASP A 15 2.493 1.733 15.345 1.00 0.00 O ATOM 0 H ASP A 15 3.592 4.490 13.387 1.00 0.00 H new ATOM 0 HA ASP A 15 4.346 2.399 11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.348 1.056 13.753 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.232 2.563 13.896 1.00 0.00 H new ATOM 191 N TYR A 16 2.457 0.581 11.864 1.00 0.00 N ATOM 192 CA TYR A 16 1.292 -0.244 11.567 1.00 0.00 C ATOM 193 C TYR A 16 1.645 -1.727 11.625 1.00 0.00 C ATOM 194 O TYR A 16 2.722 -2.138 11.193 1.00 0.00 O ATOM 195 CB TYR A 16 0.733 0.105 10.186 1.00 0.00 C ATOM 196 CG TYR A 16 -0.299 -0.880 9.684 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.630 -0.776 10.066 1.00 0.00 C ATOM 198 CD2 TYR A 16 0.058 -1.913 8.827 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.576 -1.674 9.611 1.00 0.00 C ATOM 200 CE2 TYR A 16 -0.881 -2.814 8.365 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.197 -2.691 8.760 1.00 0.00 C ATOM 202 OH TYR A 16 -3.136 -3.587 8.303 1.00 0.00 O ATOM 0 H TYR A 16 3.347 0.085 11.821 1.00 0.00 H new ATOM 0 HA TYR A 16 0.532 -0.040 12.322 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.286 1.098 10.225 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.555 0.153 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.931 0.021 10.730 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.088 -2.013 8.517 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.607 -1.580 9.920 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.587 -3.611 7.698 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.770 -4.495 8.347 1.00 0.00 H new ATOM 212 N TYR A 17 0.729 -2.525 12.163 1.00 0.00 N ATOM 213 CA TYR A 17 0.942 -3.963 12.280 1.00 0.00 C ATOM 214 C TYR A 17 0.110 -4.723 11.251 1.00 0.00 C ATOM 215 O TYR A 17 -1.056 -4.403 11.021 1.00 0.00 O ATOM 216 CB TYR A 17 0.589 -4.438 13.690 1.00 0.00 C ATOM 217 CG TYR A 17 1.083 -3.516 14.782 1.00 0.00 C ATOM 218 CD1 TYR A 17 2.437 -3.421 15.078 1.00 0.00 C ATOM 219 CD2 TYR A 17 0.196 -2.740 15.516 1.00 0.00 C ATOM 220 CE1 TYR A 17 2.893 -2.581 16.075 1.00 0.00 C ATOM 221 CE2 TYR A 17 0.643 -1.895 16.514 1.00 0.00 C ATOM 222 CZ TYR A 17 1.992 -1.820 16.790 1.00 0.00 C ATOM 223 OH TYR A 17 2.442 -0.980 17.783 1.00 0.00 O ATOM 0 H TYR A 17 -0.168 -2.201 12.525 1.00 0.00 H new ATOM 0 HA TYR A 17 1.996 -4.166 12.089 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.494 -4.536 13.771 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.011 -5.431 13.846 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.145 -4.014 14.519 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.861 -2.798 15.303 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.949 -2.520 16.293 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.060 -1.297 17.075 1.00 0.00 H new ATOM 0 HH TYR A 17 1.680 -0.515 18.188 1.00 0.00 H new ATOM 233 N ALA A 18 0.719 -5.731 10.636 1.00 0.00 N ATOM 234 CA ALA A 18 0.035 -6.540 9.634 1.00 0.00 C ATOM 235 C ALA A 18 -0.995 -7.459 10.281 1.00 0.00 C ATOM 236 O ALA A 18 -0.677 -8.579 10.684 1.00 0.00 O ATOM 237 CB ALA A 18 1.042 -7.352 8.834 1.00 0.00 C ATOM 0 H ALA A 18 1.685 -6.007 10.814 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.492 -5.867 8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.517 -7.951 8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.737 -6.678 8.333 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.595 -8.010 9.505 1.00 0.00 H new ATOM 243 N LEU A 19 -2.231 -6.981 10.377 1.00 0.00 N ATOM 244 CA LEU A 19 -3.309 -7.760 10.976 1.00 0.00 C ATOM 245 C LEU A 19 -3.632 -8.985 10.126 1.00 0.00 C ATOM 246 O LEU A 19 -3.927 -10.059 10.652 1.00 0.00 O ATOM 247 CB LEU A 19 -4.560 -6.895 11.140 1.00 0.00 C ATOM 248 CG LEU A 19 -4.368 -5.571 11.880 1.00 0.00 C ATOM 249 CD1 LEU A 19 -5.619 -4.713 11.773 1.00 0.00 C ATOM 250 CD2 LEU A 19 -4.014 -5.822 13.339 1.00 0.00 C ATOM 0 H LEU A 19 -2.511 -6.057 10.048 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.978 -8.098 11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.961 -6.680 10.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.314 -7.478 11.669 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.543 -5.033 11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.463 -3.775 12.306 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.828 -4.504 10.724 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.463 -5.244 12.213 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.881 -4.869 13.850 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.818 -6.381 13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.089 -6.396 13.395 1.00 0.00 H new ATOM 262 N LYS A 20 -3.572 -8.818 8.809 1.00 0.00 N ATOM 263 CA LYS A 20 -3.854 -9.910 7.885 1.00 0.00 C ATOM 264 C LYS A 20 -2.570 -10.625 7.479 1.00 0.00 C ATOM 265 O LYS A 20 -1.482 -10.270 7.932 1.00 0.00 O ATOM 266 CB LYS A 20 -4.571 -9.380 6.641 1.00 0.00 C ATOM 267 CG LYS A 20 -5.997 -8.931 6.906 1.00 0.00 C ATOM 268 CD LYS A 20 -6.934 -10.116 7.070 1.00 0.00 C ATOM 269 CE LYS A 20 -7.380 -10.665 5.723 1.00 0.00 C ATOM 270 NZ LYS A 20 -8.517 -11.616 5.860 1.00 0.00 N ATOM 0 H LYS A 20 -3.330 -7.936 8.357 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.501 -10.625 8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.005 -8.542 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.580 -10.158 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.025 -8.317 7.806 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.341 -8.305 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.433 -10.901 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.807 -9.813 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.673 -9.840 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.542 -11.168 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.791 -11.967 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.230 -12.416 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.326 -11.130 6.297 1.00 0.00 H new ATOM 284 N GLU A 21 -2.704 -11.633 6.623 1.00 0.00 N ATOM 285 CA GLU A 21 -1.553 -12.396 6.156 1.00 0.00 C ATOM 286 C GLU A 21 -0.850 -11.675 5.010 1.00 0.00 C ATOM 287 O GLU A 21 0.377 -11.598 4.971 1.00 0.00 O ATOM 288 CB GLU A 21 -1.987 -13.792 5.705 1.00 0.00 C ATOM 289 CG GLU A 21 -0.924 -14.858 5.913 1.00 0.00 C ATOM 290 CD GLU A 21 -0.010 -15.011 4.713 1.00 0.00 C ATOM 291 OE1 GLU A 21 -0.437 -15.630 3.716 1.00 0.00 O ATOM 292 OE2 GLU A 21 1.133 -14.512 4.771 1.00 0.00 O ATOM 0 H GLU A 21 -3.598 -11.940 6.239 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.853 -12.492 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.887 -14.077 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.252 -13.757 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.328 -14.605 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.408 -15.812 6.121 1.00 0.00 H new ATOM 299 N ASN A 22 -1.638 -11.149 4.078 1.00 0.00 N ATOM 300 CA ASN A 22 -1.092 -10.434 2.930 1.00 0.00 C ATOM 301 C ASN A 22 -0.426 -9.132 3.365 1.00 0.00 C ATOM 302 O ASN A 22 0.603 -8.738 2.819 1.00 0.00 O ATOM 303 CB ASN A 22 -2.197 -10.140 1.913 1.00 0.00 C ATOM 304 CG ASN A 22 -2.365 -11.259 0.903 1.00 0.00 C ATOM 305 OD1 ASN A 22 -2.248 -12.437 1.239 1.00 0.00 O ATOM 306 ND2 ASN A 22 -2.642 -10.893 -0.343 1.00 0.00 N ATOM 0 H ASN A 22 -2.656 -11.204 4.095 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.338 -11.068 2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.139 -9.984 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.967 -9.212 1.389 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.767 -11.601 -1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.730 -9.904 -0.576 1.00 0.00 H new ATOM 313 N GLU A 23 -1.022 -8.471 4.353 1.00 0.00 N ATOM 314 CA GLU A 23 -0.486 -7.213 4.861 1.00 0.00 C ATOM 315 C GLU A 23 0.962 -7.382 5.313 1.00 0.00 C ATOM 316 O GLU A 23 1.469 -8.500 5.403 1.00 0.00 O ATOM 317 CB GLU A 23 -1.339 -6.703 6.024 1.00 0.00 C ATOM 318 CG GLU A 23 -2.658 -6.088 5.587 1.00 0.00 C ATOM 319 CD GLU A 23 -3.720 -6.158 6.667 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.361 -6.071 7.860 1.00 0.00 O ATOM 321 OE2 GLU A 23 -4.911 -6.300 6.319 1.00 0.00 O ATOM 0 H GLU A 23 -1.875 -8.785 4.817 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.513 -6.483 4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.541 -7.530 6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.769 -5.961 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.495 -5.046 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.017 -6.603 4.696 1.00 0.00 H new ATOM 328 N ILE A 24 1.621 -6.263 5.596 1.00 0.00 N ATOM 329 CA ILE A 24 3.009 -6.287 6.039 1.00 0.00 C ATOM 330 C ILE A 24 3.248 -5.273 7.153 1.00 0.00 C ATOM 331 O ILE A 24 2.559 -4.256 7.239 1.00 0.00 O ATOM 332 CB ILE A 24 3.976 -5.992 4.877 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.657 -4.633 4.252 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.897 -7.094 3.831 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.541 -4.288 3.074 1.00 0.00 C ATOM 0 H ILE A 24 1.216 -5.329 5.526 1.00 0.00 H new ATOM 0 HA ILE A 24 3.202 -7.291 6.416 1.00 0.00 H new ATOM 0 HB ILE A 24 4.993 -5.961 5.268 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.616 -4.626 3.929 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.760 -3.859 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.586 -6.872 3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.168 -8.047 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.881 -7.154 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.259 -3.311 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.582 -4.263 3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.420 -5.041 2.295 1.00 0.00 H new ATOM 347 N CYS A 25 4.228 -5.557 8.004 1.00 0.00 N ATOM 348 CA CYS A 25 4.559 -4.670 9.113 1.00 0.00 C ATOM 349 C CYS A 25 5.440 -3.517 8.643 1.00 0.00 C ATOM 350 O CYS A 25 6.487 -3.732 8.031 1.00 0.00 O ATOM 351 CB CYS A 25 5.266 -5.449 10.223 1.00 0.00 C ATOM 352 SG CYS A 25 6.782 -6.278 9.692 1.00 0.00 S ATOM 0 H CYS A 25 4.807 -6.395 7.947 1.00 0.00 H new ATOM 0 HA CYS A 25 3.630 -4.256 9.505 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.505 -4.765 11.037 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.579 -6.194 10.624 1.00 0.00 H new ATOM 0 HG CYS A 25 7.308 -6.908 10.700 1.00 0.00 H new ATOM 358 N VAL A 26 5.009 -2.294 8.932 1.00 0.00 N ATOM 359 CA VAL A 26 5.759 -1.106 8.538 1.00 0.00 C ATOM 360 C VAL A 26 6.093 -0.241 9.748 1.00 0.00 C ATOM 361 O VAL A 26 5.626 -0.501 10.857 1.00 0.00 O ATOM 362 CB VAL A 26 4.975 -0.261 7.517 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.823 -1.014 6.204 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.615 0.127 8.079 1.00 0.00 C ATOM 0 H VAL A 26 4.145 -2.099 9.437 1.00 0.00 H new ATOM 0 HA VAL A 26 6.684 -1.453 8.077 1.00 0.00 H new ATOM 0 HB VAL A 26 5.536 0.653 7.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.266 -0.401 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.809 -1.236 5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.285 -1.945 6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.075 0.724 7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.044 -0.774 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.751 0.709 8.990 1.00 0.00 H new ATOM 374 N SER A 27 6.904 0.788 9.527 1.00 0.00 N ATOM 375 CA SER A 27 7.303 1.691 10.600 1.00 0.00 C ATOM 376 C SER A 27 7.336 3.136 10.111 1.00 0.00 C ATOM 377 O SER A 27 7.657 3.402 8.953 1.00 0.00 O ATOM 378 CB SER A 27 8.677 1.293 11.144 1.00 0.00 C ATOM 379 OG SER A 27 8.580 0.173 12.006 1.00 0.00 O ATOM 0 H SER A 27 7.298 1.017 8.614 1.00 0.00 H new ATOM 0 HA SER A 27 6.566 1.614 11.400 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.346 1.061 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.116 2.133 11.682 1.00 0.00 H new ATOM 0 HG SER A 27 7.697 -0.240 11.907 1.00 0.00 H new ATOM 385 N GLN A 28 7.001 4.063 11.002 1.00 0.00 N ATOM 386 CA GLN A 28 6.991 5.481 10.662 1.00 0.00 C ATOM 387 C GLN A 28 8.313 5.897 10.024 1.00 0.00 C ATOM 388 O GLN A 28 9.379 5.724 10.612 1.00 0.00 O ATOM 389 CB GLN A 28 6.726 6.325 11.909 1.00 0.00 C ATOM 390 CG GLN A 28 6.915 7.817 11.686 1.00 0.00 C ATOM 391 CD GLN A 28 7.077 8.584 12.983 1.00 0.00 C ATOM 392 OE1 GLN A 28 7.759 8.133 13.904 1.00 0.00 O ATOM 393 NE2 GLN A 28 6.450 9.752 13.063 1.00 0.00 N ATOM 0 H GLN A 28 6.733 3.858 11.965 1.00 0.00 H new ATOM 0 HA GLN A 28 6.191 5.650 9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.707 6.143 12.250 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.393 5.998 12.707 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.793 7.979 11.060 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.058 8.211 11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.895 10.088 12.276 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.523 10.313 13.912 1.00 0.00 H new ATOM 402 N GLY A 29 8.235 6.446 8.816 1.00 0.00 N ATOM 403 CA GLY A 29 9.432 6.878 8.118 1.00 0.00 C ATOM 404 C GLY A 29 9.662 6.109 6.832 1.00 0.00 C ATOM 405 O GLY A 29 10.121 6.672 5.839 1.00 0.00 O ATOM 0 H GLY A 29 7.364 6.599 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.354 7.942 7.893 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.295 6.753 8.772 1.00 0.00 H new ATOM 409 N GLU A 30 9.345 4.818 6.851 1.00 0.00 N ATOM 410 CA GLU A 30 9.523 3.971 5.678 1.00 0.00 C ATOM 411 C GLU A 30 8.866 4.596 4.451 1.00 0.00 C ATOM 412 O GLU A 30 8.051 5.511 4.567 1.00 0.00 O ATOM 413 CB GLU A 30 8.937 2.580 5.932 1.00 0.00 C ATOM 414 CG GLU A 30 9.866 1.660 6.705 1.00 0.00 C ATOM 415 CD GLU A 30 10.899 0.994 5.817 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.559 1.710 5.035 1.00 0.00 O ATOM 417 OE2 GLU A 30 11.048 -0.243 5.904 1.00 0.00 O ATOM 0 H GLU A 30 8.964 4.336 7.665 1.00 0.00 H new ATOM 0 HA GLU A 30 10.592 3.877 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.002 2.684 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.694 2.117 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.374 2.232 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.276 0.894 7.208 1.00 0.00 H new ATOM 424 N VAL A 31 9.226 4.094 3.274 1.00 0.00 N ATOM 425 CA VAL A 31 8.672 4.602 2.024 1.00 0.00 C ATOM 426 C VAL A 31 8.268 3.460 1.099 1.00 0.00 C ATOM 427 O VAL A 31 9.084 2.605 0.757 1.00 0.00 O ATOM 428 CB VAL A 31 9.678 5.510 1.292 1.00 0.00 C ATOM 429 CG1 VAL A 31 9.095 6.001 -0.024 1.00 0.00 C ATOM 430 CG2 VAL A 31 10.080 6.681 2.176 1.00 0.00 C ATOM 0 H VAL A 31 9.899 3.336 3.160 1.00 0.00 H new ATOM 0 HA VAL A 31 7.789 5.186 2.283 1.00 0.00 H new ATOM 0 HB VAL A 31 10.572 4.927 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.820 6.641 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.862 5.147 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.184 6.568 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.791 7.312 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.196 7.265 2.430 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.542 6.306 3.089 1.00 0.00 H new ATOM 440 N VAL A 32 7.001 3.453 0.695 1.00 0.00 N ATOM 441 CA VAL A 32 6.487 2.418 -0.193 1.00 0.00 C ATOM 442 C VAL A 32 5.842 3.027 -1.432 1.00 0.00 C ATOM 443 O VAL A 32 5.779 4.248 -1.574 1.00 0.00 O ATOM 444 CB VAL A 32 5.456 1.525 0.523 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.055 0.923 1.785 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.199 2.318 0.846 1.00 0.00 C ATOM 0 H VAL A 32 6.312 4.153 0.969 1.00 0.00 H new ATOM 0 HA VAL A 32 7.339 1.808 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 32 5.182 0.709 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.312 0.295 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.924 0.319 1.523 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.359 1.723 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.481 1.672 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.454 3.155 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.760 2.696 -0.077 1.00 0.00 H new ATOM 456 N GLN A 33 5.363 2.168 -2.326 1.00 0.00 N ATOM 457 CA GLN A 33 4.722 2.622 -3.555 1.00 0.00 C ATOM 458 C GLN A 33 3.343 1.990 -3.715 1.00 0.00 C ATOM 459 O GLN A 33 3.215 0.769 -3.796 1.00 0.00 O ATOM 460 CB GLN A 33 5.595 2.286 -4.765 1.00 0.00 C ATOM 461 CG GLN A 33 6.647 3.340 -5.068 1.00 0.00 C ATOM 462 CD GLN A 33 7.915 3.148 -4.260 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.051 3.684 -3.160 1.00 0.00 O ATOM 464 NE2 GLN A 33 8.853 2.380 -4.802 1.00 0.00 N ATOM 0 H GLN A 33 5.407 1.154 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 33 4.600 3.703 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.090 1.330 -4.591 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.956 2.160 -5.639 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.890 3.311 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.236 4.328 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.699 1.955 -5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.728 2.215 -4.304 1.00 0.00 H new ATOM 473 N VAL A 34 2.314 2.830 -3.761 1.00 0.00 N ATOM 474 CA VAL A 34 0.945 2.354 -3.913 1.00 0.00 C ATOM 475 C VAL A 34 0.748 1.667 -5.259 1.00 0.00 C ATOM 476 O VAL A 34 1.257 2.125 -6.283 1.00 0.00 O ATOM 477 CB VAL A 34 -0.068 3.507 -3.784 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.486 2.999 -3.994 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.068 4.187 -2.430 1.00 0.00 C ATOM 0 H VAL A 34 2.403 3.844 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 34 0.770 1.635 -3.113 1.00 0.00 H new ATOM 0 HB VAL A 34 0.147 4.244 -4.558 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.187 3.828 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.573 2.563 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.716 2.242 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.655 4.999 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.119 3.462 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.076 4.588 -2.324 1.00 0.00 H new ATOM 489 N LEU A 35 0.006 0.565 -5.252 1.00 0.00 N ATOM 490 CA LEU A 35 -0.260 -0.186 -6.474 1.00 0.00 C ATOM 491 C LEU A 35 -1.752 -0.200 -6.791 1.00 0.00 C ATOM 492 O LEU A 35 -2.150 -0.138 -7.954 1.00 0.00 O ATOM 493 CB LEU A 35 0.257 -1.619 -6.337 1.00 0.00 C ATOM 494 CG LEU A 35 1.769 -1.774 -6.167 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.147 -3.243 -6.063 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.506 -1.113 -7.323 1.00 0.00 C ATOM 0 H LEU A 35 -0.422 0.172 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 35 0.262 0.306 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.234 -2.081 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.049 -2.180 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 35 2.064 -1.278 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.227 -3.333 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.647 -3.687 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.838 -3.763 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.581 -1.233 -7.186 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.206 -1.580 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.260 -0.051 -7.352 1.00 0.00 H new ATOM 508 N ALA A 36 -2.573 -0.280 -5.749 1.00 0.00 N ATOM 509 CA ALA A 36 -4.020 -0.297 -5.916 1.00 0.00 C ATOM 510 C ALA A 36 -4.729 -0.268 -4.567 1.00 0.00 C ATOM 511 O ALA A 36 -4.088 -0.298 -3.516 1.00 0.00 O ATOM 512 CB ALA A 36 -4.445 -1.524 -6.711 1.00 0.00 C ATOM 0 H ALA A 36 -2.260 -0.334 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.308 0.598 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.529 -1.524 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.974 -1.502 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.137 -2.425 -6.181 1.00 0.00 H new ATOM 518 N VAL A 37 -6.057 -0.207 -4.602 1.00 0.00 N ATOM 519 CA VAL A 37 -6.853 -0.174 -3.381 1.00 0.00 C ATOM 520 C VAL A 37 -7.641 -1.467 -3.203 1.00 0.00 C ATOM 521 O VAL A 37 -7.934 -2.165 -4.172 1.00 0.00 O ATOM 522 CB VAL A 37 -7.833 1.015 -3.382 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.722 0.976 -2.149 1.00 0.00 C ATOM 524 CG2 VAL A 37 -7.073 2.331 -3.460 1.00 0.00 C ATOM 0 H VAL A 37 -6.604 -0.179 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.155 -0.060 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.471 0.937 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.407 1.824 -2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.293 0.048 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -8.104 1.029 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.780 3.160 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.410 2.420 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.484 2.357 -4.377 1.00 0.00 H new ATOM 534 N ASN A 38 -7.981 -1.779 -1.957 1.00 0.00 N ATOM 535 CA ASN A 38 -8.735 -2.989 -1.650 1.00 0.00 C ATOM 536 C ASN A 38 -10.092 -2.646 -1.044 1.00 0.00 C ATOM 537 O ASN A 38 -10.288 -1.551 -0.518 1.00 0.00 O ATOM 538 CB ASN A 38 -7.945 -3.879 -0.689 1.00 0.00 C ATOM 539 CG ASN A 38 -8.744 -5.081 -0.223 1.00 0.00 C ATOM 540 OD1 ASN A 38 -9.576 -5.610 -0.960 1.00 0.00 O ATOM 541 ND2 ASN A 38 -8.494 -5.517 1.006 1.00 0.00 N ATOM 0 H ASN A 38 -7.746 -1.211 -1.143 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.899 -3.530 -2.582 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.034 -4.220 -1.181 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.639 -3.292 0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.001 -6.322 1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.795 -5.047 1.582 1.00 0.00 H new ATOM 548 N GLN A 39 -11.025 -3.589 -1.122 1.00 0.00 N ATOM 549 CA GLN A 39 -12.364 -3.386 -0.581 1.00 0.00 C ATOM 550 C GLN A 39 -12.309 -3.115 0.919 1.00 0.00 C ATOM 551 O GLN A 39 -13.263 -2.597 1.500 1.00 0.00 O ATOM 552 CB GLN A 39 -13.241 -4.608 -0.859 1.00 0.00 C ATOM 553 CG GLN A 39 -14.707 -4.396 -0.517 1.00 0.00 C ATOM 554 CD GLN A 39 -15.618 -5.384 -1.217 1.00 0.00 C ATOM 555 OE1 GLN A 39 -16.028 -5.168 -2.359 1.00 0.00 O ATOM 556 NE2 GLN A 39 -15.941 -6.477 -0.536 1.00 0.00 N ATOM 0 H GLN A 39 -10.879 -4.501 -1.554 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.799 -2.517 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.157 -4.873 -1.913 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.862 -5.455 -0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.841 -4.485 0.561 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.997 -3.382 -0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.579 -6.616 0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.551 -7.178 -0.956 1.00 0.00 H new ATOM 565 N GLN A 40 -11.188 -3.469 1.539 1.00 0.00 N ATOM 566 CA GLN A 40 -11.011 -3.265 2.972 1.00 0.00 C ATOM 567 C GLN A 40 -10.387 -1.902 3.254 1.00 0.00 C ATOM 568 O GLN A 40 -9.793 -1.687 4.309 1.00 0.00 O ATOM 569 CB GLN A 40 -10.135 -4.372 3.561 1.00 0.00 C ATOM 570 CG GLN A 40 -10.887 -5.666 3.827 1.00 0.00 C ATOM 571 CD GLN A 40 -11.352 -6.343 2.553 1.00 0.00 C ATOM 572 OE1 GLN A 40 -10.569 -6.991 1.859 1.00 0.00 O ATOM 573 NE2 GLN A 40 -12.634 -6.195 2.238 1.00 0.00 N ATOM 0 H GLN A 40 -10.389 -3.898 1.072 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.993 -3.299 3.443 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.311 -4.574 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.695 -4.019 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.243 -6.348 4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.750 -5.457 4.459 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.248 -5.649 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.004 -6.627 1.392 1.00 0.00 H new ATOM 582 N ASN A 41 -10.528 -0.984 2.303 1.00 0.00 N ATOM 583 CA ASN A 41 -9.977 0.359 2.450 1.00 0.00 C ATOM 584 C ASN A 41 -8.461 0.311 2.608 1.00 0.00 C ATOM 585 O ASN A 41 -7.873 1.132 3.311 1.00 0.00 O ATOM 586 CB ASN A 41 -10.605 1.061 3.656 1.00 0.00 C ATOM 587 CG ASN A 41 -12.094 1.290 3.481 1.00 0.00 C ATOM 588 OD1 ASN A 41 -12.912 0.679 4.170 1.00 0.00 O ATOM 589 ND2 ASN A 41 -12.452 2.173 2.557 1.00 0.00 N ATOM 0 H ASN A 41 -11.018 -1.145 1.423 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.212 0.922 1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.435 0.462 4.551 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.109 2.019 3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.440 2.369 2.394 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.739 2.656 2.010 1.00 0.00 H new ATOM 596 N MET A 42 -7.833 -0.658 1.948 1.00 0.00 N ATOM 597 CA MET A 42 -6.384 -0.812 2.014 1.00 0.00 C ATOM 598 C MET A 42 -5.737 -0.438 0.685 1.00 0.00 C ATOM 599 O MET A 42 -6.417 -0.314 -0.335 1.00 0.00 O ATOM 600 CB MET A 42 -6.019 -2.250 2.386 1.00 0.00 C ATOM 601 CG MET A 42 -6.727 -2.754 3.634 1.00 0.00 C ATOM 602 SD MET A 42 -6.021 -2.082 5.151 1.00 0.00 S ATOM 603 CE MET A 42 -4.480 -2.990 5.238 1.00 0.00 C ATOM 0 H MET A 42 -8.304 -1.347 1.362 1.00 0.00 H new ATOM 0 HA MET A 42 -6.007 -0.139 2.784 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.263 -2.906 1.550 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.942 -2.315 2.538 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.783 -2.489 3.580 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.673 -3.842 3.663 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.038 -2.863 6.226 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.671 -4.048 5.059 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.792 -2.612 4.482 1.00 0.00 H new ATOM 613 N CYS A 43 -4.421 -0.260 0.702 1.00 0.00 N ATOM 614 CA CYS A 43 -3.682 0.101 -0.503 1.00 0.00 C ATOM 615 C CYS A 43 -2.473 -0.810 -0.693 1.00 0.00 C ATOM 616 O CYS A 43 -1.543 -0.801 0.114 1.00 0.00 O ATOM 617 CB CYS A 43 -3.229 1.560 -0.431 1.00 0.00 C ATOM 618 SG CYS A 43 -4.557 2.759 -0.698 1.00 0.00 S ATOM 0 H CYS A 43 -3.843 -0.360 1.537 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.347 -0.024 -1.358 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.780 1.742 0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.450 1.725 -1.175 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.077 3.964 -0.616 1.00 0.00 H new ATOM 624 N LEU A 44 -2.495 -1.596 -1.763 1.00 0.00 N ATOM 625 CA LEU A 44 -1.401 -2.515 -2.059 1.00 0.00 C ATOM 626 C LEU A 44 -0.097 -1.756 -2.282 1.00 0.00 C ATOM 627 O LEU A 44 0.153 -1.236 -3.369 1.00 0.00 O ATOM 628 CB LEU A 44 -1.734 -3.354 -3.294 1.00 0.00 C ATOM 629 CG LEU A 44 -0.683 -4.384 -3.709 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.384 -5.335 -2.560 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.148 -5.156 -4.935 1.00 0.00 C ATOM 0 H LEU A 44 -3.258 -1.616 -2.440 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.273 -3.176 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.673 -3.876 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.903 -2.679 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 44 0.235 -3.855 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.366 -6.061 -2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.007 -4.769 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.297 -5.857 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.388 -5.885 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.080 -5.674 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.310 -4.464 -5.761 1.00 0.00 H new ATOM 643 N VAL A 45 0.733 -1.699 -1.245 1.00 0.00 N ATOM 644 CA VAL A 45 2.014 -1.007 -1.328 1.00 0.00 C ATOM 645 C VAL A 45 3.170 -1.998 -1.402 1.00 0.00 C ATOM 646 O VAL A 45 3.184 -3.006 -0.695 1.00 0.00 O ATOM 647 CB VAL A 45 2.227 -0.075 -0.121 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.184 1.032 -0.110 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.189 -0.868 1.177 1.00 0.00 C ATOM 0 H VAL A 45 0.541 -2.124 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 45 1.993 -0.410 -2.239 1.00 0.00 H new ATOM 0 HB VAL A 45 3.210 0.387 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.351 1.680 0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.264 1.617 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.188 0.593 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.341 -0.194 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.221 -1.359 1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.978 -1.620 1.167 1.00 0.00 H new ATOM 659 N TYR A 46 4.139 -1.705 -2.262 1.00 0.00 N ATOM 660 CA TYR A 46 5.300 -2.571 -2.430 1.00 0.00 C ATOM 661 C TYR A 46 6.442 -2.134 -1.518 1.00 0.00 C ATOM 662 O TYR A 46 7.067 -1.098 -1.742 1.00 0.00 O ATOM 663 CB TYR A 46 5.764 -2.560 -3.888 1.00 0.00 C ATOM 664 CG TYR A 46 6.935 -3.477 -4.157 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.232 -3.089 -3.846 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.744 -4.732 -4.722 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.305 -3.924 -4.091 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.811 -5.574 -4.970 1.00 0.00 C ATOM 669 CZ TYR A 46 9.090 -5.165 -4.653 1.00 0.00 C ATOM 670 OH TYR A 46 10.156 -6.000 -4.898 1.00 0.00 O ATOM 0 H TYR A 46 4.144 -0.874 -2.854 1.00 0.00 H new ATOM 0 HA TYR A 46 5.008 -3.585 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.931 -2.851 -4.528 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.039 -1.542 -4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.405 -2.118 -3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.744 -5.055 -4.972 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.307 -3.607 -3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.645 -6.547 -5.409 1.00 0.00 H new ATOM 0 HH TYR A 46 9.833 -6.836 -5.295 1.00 0.00 H new ATOM 680 N GLN A 47 6.708 -2.933 -0.490 1.00 0.00 N ATOM 681 CA GLN A 47 7.774 -2.629 0.457 1.00 0.00 C ATOM 682 C GLN A 47 9.083 -3.287 0.032 1.00 0.00 C ATOM 683 O GLN A 47 9.252 -4.504 0.121 1.00 0.00 O ATOM 684 CB GLN A 47 7.387 -3.097 1.861 1.00 0.00 C ATOM 685 CG GLN A 47 8.558 -3.147 2.830 1.00 0.00 C ATOM 686 CD GLN A 47 8.114 -3.203 4.279 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.555 -4.337 4.683 1.00 0.00 O flip ATOM 688 NE2 GLN A 47 8.272 -2.237 5.026 1.00 0.00 N flip ATOM 0 H GLN A 47 6.200 -3.795 -0.292 1.00 0.00 H new ATOM 0 HA GLN A 47 7.918 -1.549 0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.624 -2.429 2.260 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.939 -4.088 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.172 -4.020 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.187 -2.269 2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.707 -1.385 4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.968 -2.289 5.998 1.00 0.00 H new ATOM 697 N PRO A 48 10.032 -2.466 -0.442 1.00 0.00 N ATOM 698 CA PRO A 48 11.342 -2.947 -0.891 1.00 0.00 C ATOM 699 C PRO A 48 12.207 -3.437 0.266 1.00 0.00 C ATOM 700 O PRO A 48 11.956 -3.107 1.424 1.00 0.00 O ATOM 701 CB PRO A 48 11.970 -1.711 -1.540 1.00 0.00 C ATOM 702 CG PRO A 48 11.301 -0.555 -0.880 1.00 0.00 C ATOM 703 CD PRO A 48 9.899 -1.006 -0.577 1.00 0.00 C ATOM 0 HA PRO A 48 11.254 -3.801 -1.563 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.048 -1.686 -1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.804 -1.702 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.825 -0.270 0.032 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.298 0.318 -1.532 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.519 -0.551 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.209 -0.738 -1.377 1.00 0.00 H new ATOM 711 N ALA A 49 13.226 -4.227 -0.057 1.00 0.00 N ATOM 712 CA ALA A 49 14.128 -4.761 0.955 1.00 0.00 C ATOM 713 C ALA A 49 14.559 -3.675 1.935 1.00 0.00 C ATOM 714 O ALA A 49 14.919 -2.569 1.531 1.00 0.00 O ATOM 715 CB ALA A 49 15.346 -5.393 0.296 1.00 0.00 C ATOM 0 H ALA A 49 13.447 -4.511 -1.011 1.00 0.00 H new ATOM 0 HA ALA A 49 13.592 -5.527 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.011 -5.788 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.026 -6.204 -0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.874 -4.641 -0.290 1.00 0.00 H new ATOM 721 N SER A 50 14.518 -3.997 3.224 1.00 0.00 N ATOM 722 CA SER A 50 14.899 -3.046 4.262 1.00 0.00 C ATOM 723 C SER A 50 15.284 -3.771 5.548 1.00 0.00 C ATOM 724 O SER A 50 14.797 -4.868 5.824 1.00 0.00 O ATOM 725 CB SER A 50 13.753 -2.071 4.536 1.00 0.00 C ATOM 726 OG SER A 50 14.032 -1.261 5.665 1.00 0.00 O ATOM 0 H SER A 50 14.225 -4.909 3.575 1.00 0.00 H new ATOM 0 HA SER A 50 15.765 -2.487 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.592 -1.440 3.662 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.830 -2.627 4.702 1.00 0.00 H new ATOM 0 HG SER A 50 13.213 -0.806 5.952 1.00 0.00 H new ATOM 732 N ASP A 51 16.160 -3.151 6.330 1.00 0.00 N ATOM 733 CA ASP A 51 16.610 -3.735 7.588 1.00 0.00 C ATOM 734 C ASP A 51 15.447 -4.386 8.332 1.00 0.00 C ATOM 735 O ASP A 51 15.562 -5.510 8.822 1.00 0.00 O ATOM 736 CB ASP A 51 17.259 -2.666 8.468 1.00 0.00 C ATOM 737 CG ASP A 51 18.697 -2.388 8.076 1.00 0.00 C ATOM 738 OD1 ASP A 51 19.586 -3.162 8.491 1.00 0.00 O ATOM 739 OD2 ASP A 51 18.934 -1.398 7.353 1.00 0.00 O ATOM 0 H ASP A 51 16.573 -2.243 6.115 1.00 0.00 H new ATOM 0 HA ASP A 51 17.348 -4.504 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 51 16.682 -1.744 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 51 17.225 -2.987 9.509 1.00 0.00 H new ATOM 744 N HIS A 52 14.329 -3.672 8.413 1.00 0.00 N ATOM 745 CA HIS A 52 13.146 -4.180 9.097 1.00 0.00 C ATOM 746 C HIS A 52 12.603 -5.422 8.395 1.00 0.00 C ATOM 747 O HIS A 52 12.502 -6.491 8.996 1.00 0.00 O ATOM 748 CB HIS A 52 12.064 -3.101 9.159 1.00 0.00 C ATOM 749 CG HIS A 52 12.456 -1.905 9.970 1.00 0.00 C ATOM 750 ND1 HIS A 52 12.624 -1.946 11.338 1.00 0.00 N ATOM 751 CD2 HIS A 52 12.715 -0.630 9.599 1.00 0.00 C ATOM 752 CE1 HIS A 52 12.968 -0.747 11.774 1.00 0.00 C ATOM 753 NE2 HIS A 52 13.030 0.070 10.738 1.00 0.00 N ATOM 0 H HIS A 52 14.218 -2.740 8.013 1.00 0.00 H new ATOM 0 HA HIS A 52 13.434 -4.455 10.112 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.825 -2.780 8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.156 -3.533 9.579 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.680 -0.236 8.594 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.165 -0.481 12.802 1.00 0.00 H new ATOM 0 HE2 HIS A 52 13.272 1.060 10.777 1.00 0.00 H new ATOM 762 N SER A 53 12.256 -5.271 7.121 1.00 0.00 N ATOM 763 CA SER A 53 11.720 -6.379 6.339 1.00 0.00 C ATOM 764 C SER A 53 12.244 -6.337 4.907 1.00 0.00 C ATOM 765 O SER A 53 12.463 -5.271 4.330 1.00 0.00 O ATOM 766 CB SER A 53 10.191 -6.336 6.336 1.00 0.00 C ATOM 767 OG SER A 53 9.678 -6.318 7.658 1.00 0.00 O ATOM 0 H SER A 53 12.336 -4.393 6.609 1.00 0.00 H new ATOM 0 HA SER A 53 12.049 -7.310 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.850 -5.451 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.801 -7.203 5.803 1.00 0.00 H new ATOM 0 HG SER A 53 8.717 -6.129 7.633 1.00 0.00 H new ATOM 773 N PRO A 54 12.450 -7.524 4.318 1.00 0.00 N ATOM 774 CA PRO A 54 12.950 -7.650 2.946 1.00 0.00 C ATOM 775 C PRO A 54 11.922 -7.205 1.911 1.00 0.00 C ATOM 776 O PRO A 54 10.860 -6.691 2.259 1.00 0.00 O ATOM 777 CB PRO A 54 13.232 -9.149 2.808 1.00 0.00 C ATOM 778 CG PRO A 54 12.326 -9.797 3.797 1.00 0.00 C ATOM 779 CD PRO A 54 12.210 -8.834 4.946 1.00 0.00 C ATOM 0 HA PRO A 54 13.822 -7.020 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.028 -9.499 1.796 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.277 -9.377 3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.349 -9.999 3.357 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.731 -10.753 4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.226 -8.882 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.943 -9.047 5.724 1.00 0.00 H new ATOM 787 N ALA A 55 12.246 -7.405 0.638 1.00 0.00 N ATOM 788 CA ALA A 55 11.350 -7.026 -0.448 1.00 0.00 C ATOM 789 C ALA A 55 10.088 -7.881 -0.441 1.00 0.00 C ATOM 790 O ALA A 55 10.148 -9.094 -0.642 1.00 0.00 O ATOM 791 CB ALA A 55 12.063 -7.144 -1.787 1.00 0.00 C ATOM 0 H ALA A 55 13.123 -7.828 0.333 1.00 0.00 H new ATOM 0 HA ALA A 55 11.055 -5.988 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.382 -6.858 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.931 -6.485 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.387 -8.174 -1.937 1.00 0.00 H new ATOM 797 N ALA A 56 8.946 -7.242 -0.208 1.00 0.00 N ATOM 798 CA ALA A 56 7.670 -7.944 -0.177 1.00 0.00 C ATOM 799 C ALA A 56 6.510 -6.987 -0.429 1.00 0.00 C ATOM 800 O ALA A 56 6.556 -5.824 -0.029 1.00 0.00 O ATOM 801 CB ALA A 56 7.490 -8.654 1.157 1.00 0.00 C ATOM 0 H ALA A 56 8.879 -6.239 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 56 7.674 -8.687 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.532 -9.174 1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.296 -9.375 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.513 -7.922 1.965 1.00 0.00 H new ATOM 807 N GLU A 57 5.472 -7.484 -1.095 1.00 0.00 N ATOM 808 CA GLU A 57 4.302 -6.670 -1.402 1.00 0.00 C ATOM 809 C GLU A 57 3.204 -6.884 -0.363 1.00 0.00 C ATOM 810 O GLU A 57 2.656 -7.978 -0.239 1.00 0.00 O ATOM 811 CB GLU A 57 3.771 -7.005 -2.797 1.00 0.00 C ATOM 812 CG GLU A 57 2.754 -6.004 -3.318 1.00 0.00 C ATOM 813 CD GLU A 57 1.908 -6.564 -4.445 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.237 -7.595 -4.228 1.00 0.00 O ATOM 815 OE2 GLU A 57 1.917 -5.971 -5.544 1.00 0.00 O ATOM 0 H GLU A 57 5.418 -8.445 -1.432 1.00 0.00 H new ATOM 0 HA GLU A 57 4.603 -5.623 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.608 -7.055 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.315 -7.995 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.104 -5.694 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.274 -5.112 -3.668 1.00 0.00 H new ATOM 822 N GLY A 58 2.889 -5.828 0.382 1.00 0.00 N ATOM 823 CA GLY A 58 1.859 -5.920 1.400 1.00 0.00 C ATOM 824 C GLY A 58 0.874 -4.770 1.335 1.00 0.00 C ATOM 825 O GLY A 58 1.192 -3.702 0.813 1.00 0.00 O ATOM 0 H GLY A 58 3.329 -4.911 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.322 -6.861 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.326 -5.939 2.385 1.00 0.00 H new ATOM 829 N TRP A 59 -0.324 -4.989 1.865 1.00 0.00 N ATOM 830 CA TRP A 59 -1.359 -3.961 1.862 1.00 0.00 C ATOM 831 C TRP A 59 -1.277 -3.103 3.120 1.00 0.00 C ATOM 832 O TRP A 59 -0.910 -3.587 4.191 1.00 0.00 O ATOM 833 CB TRP A 59 -2.744 -4.603 1.757 1.00 0.00 C ATOM 834 CG TRP A 59 -2.985 -5.282 0.443 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.535 -6.514 0.062 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.733 -4.766 -0.663 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.958 -6.795 -1.214 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.696 -5.739 -1.681 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.432 -3.578 -0.893 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.329 -5.558 -2.908 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.060 -3.400 -2.110 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.006 -4.385 -3.105 1.00 0.00 C ATOM 0 H TRP A 59 -0.603 -5.868 2.302 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.197 -3.320 0.996 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.862 -5.330 2.561 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.504 -3.836 1.907 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.935 -7.171 0.674 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.756 -7.651 -1.730 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.480 -2.813 -0.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.287 -6.316 -3.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.602 -2.485 -2.298 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.508 -4.215 -4.046 1.00 0.00 H new ATOM 853 N VAL A 60 -1.622 -1.826 2.983 1.00 0.00 N ATOM 854 CA VAL A 60 -1.588 -0.901 4.110 1.00 0.00 C ATOM 855 C VAL A 60 -2.686 0.150 3.990 1.00 0.00 C ATOM 856 O VAL A 60 -3.073 0.558 2.895 1.00 0.00 O ATOM 857 CB VAL A 60 -0.224 -0.193 4.214 1.00 0.00 C ATOM 858 CG1 VAL A 60 0.898 -1.213 4.340 1.00 0.00 C ATOM 859 CG2 VAL A 60 -0.001 0.712 3.013 1.00 0.00 C ATOM 0 H VAL A 60 -1.928 -1.409 2.104 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.751 -1.492 5.011 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.222 0.426 5.111 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.854 -0.695 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.743 -1.816 5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.901 -1.860 3.463 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.967 1.204 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.022 0.117 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.788 1.465 2.974 1.00 0.00 H new ATOM 869 N PRO A 61 -3.201 0.602 5.143 1.00 0.00 N ATOM 870 CA PRO A 61 -4.261 1.613 5.195 1.00 0.00 C ATOM 871 C PRO A 61 -3.770 2.990 4.761 1.00 0.00 C ATOM 872 O PRO A 61 -2.915 3.588 5.412 1.00 0.00 O ATOM 873 CB PRO A 61 -4.664 1.630 6.671 1.00 0.00 C ATOM 874 CG PRO A 61 -3.456 1.151 7.399 1.00 0.00 C ATOM 875 CD PRO A 61 -2.787 0.161 6.486 1.00 0.00 C ATOM 0 HA PRO A 61 -5.082 1.377 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.948 2.632 6.992 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.520 0.981 6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.787 1.979 7.633 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.730 0.685 8.346 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.703 0.179 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.112 -0.859 6.692 1.00 0.00 H new ATOM 883 N GLY A 62 -4.318 3.488 3.657 1.00 0.00 N ATOM 884 CA GLY A 62 -3.923 4.792 3.155 1.00 0.00 C ATOM 885 C GLY A 62 -3.859 5.838 4.250 1.00 0.00 C ATOM 886 O GLY A 62 -3.183 6.857 4.105 1.00 0.00 O ATOM 0 H GLY A 62 -5.028 3.012 3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.948 4.713 2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.630 5.113 2.390 1.00 0.00 H new ATOM 890 N SER A 63 -4.564 5.588 5.348 1.00 0.00 N ATOM 891 CA SER A 63 -4.589 6.520 6.470 1.00 0.00 C ATOM 892 C SER A 63 -3.174 6.821 6.957 1.00 0.00 C ATOM 893 O SER A 63 -2.833 7.971 7.234 1.00 0.00 O ATOM 894 CB SER A 63 -5.425 5.949 7.617 1.00 0.00 C ATOM 895 OG SER A 63 -4.740 4.895 8.271 1.00 0.00 O ATOM 0 H SER A 63 -5.126 4.748 5.485 1.00 0.00 H new ATOM 0 HA SER A 63 -5.043 7.450 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.653 6.738 8.333 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.377 5.584 7.231 1.00 0.00 H new ATOM 0 HG SER A 63 -5.294 4.548 9.001 1.00 0.00 H new ATOM 901 N ILE A 64 -2.356 5.778 7.058 1.00 0.00 N ATOM 902 CA ILE A 64 -0.979 5.930 7.510 1.00 0.00 C ATOM 903 C ILE A 64 -0.044 6.210 6.339 1.00 0.00 C ATOM 904 O ILE A 64 1.163 5.977 6.424 1.00 0.00 O ATOM 905 CB ILE A 64 -0.489 4.674 8.255 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.314 3.511 7.277 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.465 4.300 9.361 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.448 2.341 7.860 1.00 0.00 C ATOM 0 H ILE A 64 -2.623 4.820 6.833 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.963 6.778 8.195 1.00 0.00 H new ATOM 0 HB ILE A 64 0.478 4.892 8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.297 3.169 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.208 3.868 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.105 3.411 9.878 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.545 5.124 10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.445 4.097 8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.534 1.554 7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.444 2.668 8.159 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.084 1.957 8.730 1.00 0.00 H new ATOM 920 N LEU A 65 -0.607 6.713 5.246 1.00 0.00 N ATOM 921 CA LEU A 65 0.177 7.028 4.057 1.00 0.00 C ATOM 922 C LEU A 65 0.044 8.503 3.692 1.00 0.00 C ATOM 923 O LEU A 65 -1.038 9.081 3.786 1.00 0.00 O ATOM 924 CB LEU A 65 -0.272 6.157 2.882 1.00 0.00 C ATOM 925 CG LEU A 65 -0.044 4.653 3.035 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.489 3.915 1.782 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.419 4.363 3.337 1.00 0.00 C ATOM 0 H LEU A 65 -1.604 6.911 5.158 1.00 0.00 H new ATOM 0 HA LEU A 65 1.224 6.821 4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.336 6.328 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.249 6.494 1.986 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.644 4.298 3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.319 2.846 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.550 4.096 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.083 4.274 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.562 3.288 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.039 4.733 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.705 4.860 4.264 1.00 0.00 H new ATOM 939 N ALA A 66 1.152 9.105 3.273 1.00 0.00 N ATOM 940 CA ALA A 66 1.159 10.511 2.889 1.00 0.00 C ATOM 941 C ALA A 66 1.971 10.730 1.617 1.00 0.00 C ATOM 942 O ALA A 66 2.909 9.991 1.317 1.00 0.00 O ATOM 943 CB ALA A 66 1.709 11.365 4.022 1.00 0.00 C ATOM 0 H ALA A 66 2.057 8.641 3.191 1.00 0.00 H new ATOM 0 HA ALA A 66 0.131 10.811 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.708 12.413 3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.085 11.241 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.728 11.054 4.250 1.00 0.00 H new ATOM 949 N PRO A 67 1.604 11.767 0.851 1.00 0.00 N ATOM 950 CA PRO A 67 2.286 12.106 -0.402 1.00 0.00 C ATOM 951 C PRO A 67 3.691 12.650 -0.168 1.00 0.00 C ATOM 952 O PRO A 67 3.862 13.790 0.265 1.00 0.00 O ATOM 953 CB PRO A 67 1.389 13.186 -1.013 1.00 0.00 C ATOM 954 CG PRO A 67 0.686 13.797 0.150 1.00 0.00 C ATOM 955 CD PRO A 67 0.495 12.689 1.147 1.00 0.00 C ATOM 0 HA PRO A 67 2.422 11.234 -1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.976 13.928 -1.555 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.681 12.758 -1.723 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.273 14.610 0.578 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.272 14.220 -0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.542 13.058 2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.474 12.204 1.027 1.00 0.00 H new ATOM 963 N PHE A 68 4.694 11.829 -0.459 1.00 0.00 N ATOM 964 CA PHE A 68 6.085 12.228 -0.279 1.00 0.00 C ATOM 965 C PHE A 68 6.528 13.174 -1.392 1.00 0.00 C ATOM 966 O PHE A 68 6.955 14.298 -1.133 1.00 0.00 O ATOM 967 CB PHE A 68 6.992 10.996 -0.250 1.00 0.00 C ATOM 968 CG PHE A 68 8.415 11.308 0.115 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.706 12.066 1.238 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.462 10.843 -0.665 1.00 0.00 C ATOM 971 CE1 PHE A 68 10.015 12.354 1.577 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.773 11.128 -0.330 1.00 0.00 C ATOM 973 CZ PHE A 68 11.049 11.885 0.792 1.00 0.00 C ATOM 0 H PHE A 68 4.570 10.883 -0.820 1.00 0.00 H new ATOM 0 HA PHE A 68 6.166 12.752 0.673 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.591 10.277 0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.973 10.518 -1.229 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.901 12.436 1.856 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.252 10.252 -1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.228 12.945 2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.580 10.759 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.072 12.110 1.055 1.00 0.00 H new ATOM 983 N SER A 69 6.422 12.708 -2.633 1.00 0.00 N ATOM 984 CA SER A 69 6.815 13.509 -3.786 1.00 0.00 C ATOM 985 C SER A 69 8.053 14.342 -3.472 1.00 0.00 C ATOM 986 O SER A 69 8.153 15.501 -3.873 1.00 0.00 O ATOM 987 CB SER A 69 5.665 14.423 -4.214 1.00 0.00 C ATOM 988 OG SER A 69 5.378 15.384 -3.212 1.00 0.00 O ATOM 0 H SER A 69 6.067 11.780 -2.865 1.00 0.00 H new ATOM 0 HA SER A 69 7.054 12.830 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.925 14.929 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.776 13.825 -4.414 1.00 0.00 H new ATOM 0 HG SER A 69 4.641 15.957 -3.510 1.00 0.00 H new ATOM 994 N GLY A 70 8.996 13.743 -2.751 1.00 0.00 N ATOM 995 CA GLY A 70 10.215 14.443 -2.394 1.00 0.00 C ATOM 996 C GLY A 70 10.944 14.992 -3.605 1.00 0.00 C ATOM 997 O GLY A 70 10.816 16.165 -3.954 1.00 0.00 O ATOM 0 H GLY A 70 8.937 12.784 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.975 15.262 -1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.875 13.765 -1.853 1.00 0.00 H new ATOM 1001 N PRO A 71 11.731 14.130 -4.267 1.00 0.00 N ATOM 1002 CA PRO A 71 12.500 14.513 -5.455 1.00 0.00 C ATOM 1003 C PRO A 71 11.607 14.777 -6.663 1.00 0.00 C ATOM 1004 O PRO A 71 11.229 13.852 -7.381 1.00 0.00 O ATOM 1005 CB PRO A 71 13.393 13.296 -5.706 1.00 0.00 C ATOM 1006 CG PRO A 71 12.657 12.153 -5.096 1.00 0.00 C ATOM 1007 CD PRO A 71 11.931 12.716 -3.906 1.00 0.00 C ATOM 0 HA PRO A 71 13.052 15.440 -5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.556 13.138 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.374 13.424 -5.249 1.00 0.00 H new ATOM 0 HG2 PRO A 71 11.958 11.714 -5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 71 13.344 11.362 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.983 12.207 -3.736 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.516 12.613 -2.992 1.00 0.00 H new ATOM 1015 N SER A 72 11.275 16.045 -6.881 1.00 0.00 N ATOM 1016 CA SER A 72 10.423 16.431 -8.000 1.00 0.00 C ATOM 1017 C SER A 72 10.700 17.871 -8.422 1.00 0.00 C ATOM 1018 O SER A 72 11.141 18.691 -7.617 1.00 0.00 O ATOM 1019 CB SER A 72 8.949 16.271 -7.625 1.00 0.00 C ATOM 1020 OG SER A 72 8.139 16.149 -8.782 1.00 0.00 O ATOM 0 H SER A 72 11.583 16.823 -6.298 1.00 0.00 H new ATOM 0 HA SER A 72 10.649 15.775 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.824 15.390 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.624 17.131 -7.039 1.00 0.00 H new ATOM 0 HG SER A 72 7.202 16.046 -8.516 1.00 0.00 H new ATOM 1026 N SER A 73 10.437 18.170 -9.690 1.00 0.00 N ATOM 1027 CA SER A 73 10.660 19.509 -10.222 1.00 0.00 C ATOM 1028 C SER A 73 9.433 20.390 -10.008 1.00 0.00 C ATOM 1029 O SER A 73 8.307 19.899 -9.933 1.00 0.00 O ATOM 1030 CB SER A 73 10.999 19.440 -11.712 1.00 0.00 C ATOM 1031 OG SER A 73 11.195 20.735 -12.251 1.00 0.00 O ATOM 0 H SER A 73 10.069 17.503 -10.368 1.00 0.00 H new ATOM 0 HA SER A 73 11.501 19.950 -9.686 1.00 0.00 H new ATOM 0 HB2 SER A 73 11.899 18.843 -11.856 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.194 18.938 -12.248 1.00 0.00 H new ATOM 0 HG SER A 73 11.412 20.663 -13.204 1.00 0.00 H new ATOM 1037 N GLY A 74 9.660 21.697 -9.910 1.00 0.00 N ATOM 1038 CA GLY A 74 8.564 22.626 -9.705 1.00 0.00 C ATOM 1039 C GLY A 74 8.962 23.811 -8.847 1.00 0.00 C ATOM 1040 O GLY A 74 8.660 23.851 -7.654 1.00 0.00 O ATOM 0 H GLY A 74 10.582 22.128 -9.969 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.209 22.984 -10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.732 22.103 -9.234 1.00 0.00 H new TER 1044 GLY A 74