USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 4 MET CE :methyl -168:sc= -0.224 (180deg=-0.649) USER MOD Set 1.2: A 60 THR OG1 : rot 180:sc= -0.0135 USER MOD Set 2.1: A 37 LYS NZ :NH3+ 157:sc= 0.804 (180deg=0.396) USER MOD Set 2.2: A 39 THR OG1 : rot -160:sc= 0.479 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0302 (180deg=-0.0302) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.374 (180deg=0.117) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0141 (180deg=-0.213) USER MOD Single : A 7 LYS NZ :NH3+ 165:sc= 1.35 (180deg=0.37) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0352 USER MOD Single : A 10 THR OG1 : rot -11:sc= 0.335 USER MOD Single : A 12 HIS : no HD1:sc= -0.0221 X(o=-0.022,f=-0.072) USER MOD Single : A 13 SER OG : rot 65:sc= -0.16 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -128:sc= -0.435 (180deg=-2.73!) USER MOD Single : A 28 MET CE :methyl 154:sc= -0.312 (180deg=-1.1) USER MOD Single : A 30 ASN : amide:sc= -2.03! C(o=-2!,f=-6.3!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 51 MET CE :methyl -104:sc= -0.368 (180deg=-2.34!) USER MOD Single : A 55 THR OG1 : rot -170:sc= -0.66 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.688 0.730 -1.809 1.00 0.00 N ATOM 2 CA MET A 1 2.866 -0.051 -1.389 1.00 0.00 C ATOM 3 C MET A 1 2.705 -1.511 -1.819 1.00 0.00 C ATOM 4 O MET A 1 1.649 -1.905 -2.312 1.00 0.00 O ATOM 5 CB MET A 1 3.051 0.061 0.136 1.00 0.00 C ATOM 6 CG MET A 1 4.387 -0.468 0.637 1.00 0.00 C ATOM 7 SD MET A 1 4.721 -0.028 2.353 1.00 0.00 S ATOM 8 CE MET A 1 6.348 -0.745 2.581 1.00 0.00 C ATOM 0 H1 MET A 1 1.940 1.738 -1.862 1.00 0.00 H new ATOM 0 H2 MET A 1 1.370 0.403 -2.744 1.00 0.00 H new ATOM 0 H3 MET A 1 0.922 0.601 -1.118 1.00 0.00 H new ATOM 0 HA MET A 1 3.758 0.349 -1.872 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.953 1.107 0.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.247 -0.484 0.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.402 -1.553 0.537 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.186 -0.078 0.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.690 -0.555 3.598 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.299 -1.820 2.410 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.046 -0.296 1.874 1.00 0.00 H new ATOM 18 N LYS A 2 3.758 -2.292 -1.627 1.00 0.00 N ATOM 19 CA LYS A 2 3.800 -3.693 -2.010 1.00 0.00 C ATOM 20 C LYS A 2 2.913 -4.527 -1.096 1.00 0.00 C ATOM 21 O LYS A 2 3.166 -4.627 0.107 1.00 0.00 O ATOM 22 CB LYS A 2 5.259 -4.176 -1.952 1.00 0.00 C ATOM 23 CG LYS A 2 5.438 -5.689 -1.955 1.00 0.00 C ATOM 24 CD LYS A 2 6.909 -6.073 -2.091 1.00 0.00 C ATOM 25 CE LYS A 2 7.146 -7.551 -1.811 1.00 0.00 C ATOM 26 NZ LYS A 2 6.909 -7.891 -0.382 1.00 0.00 N ATOM 0 H LYS A 2 4.621 -1.963 -1.193 1.00 0.00 H new ATOM 0 HA LYS A 2 3.420 -3.808 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.798 -3.760 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.724 -3.772 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.035 -6.107 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.869 -6.123 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 2 7.253 -5.836 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.504 -5.474 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 2 6.488 -8.150 -2.440 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.169 -7.812 -2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 7.317 -8.825 -0.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 7.358 -7.175 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.886 -7.911 -0.195 1.00 0.00 H new ATOM 40 N VAL A 3 1.867 -5.107 -1.666 1.00 0.00 N ATOM 41 CA VAL A 3 0.943 -5.943 -0.915 1.00 0.00 C ATOM 42 C VAL A 3 0.651 -7.228 -1.693 1.00 0.00 C ATOM 43 O VAL A 3 0.452 -7.189 -2.909 1.00 0.00 O ATOM 44 CB VAL A 3 -0.370 -5.176 -0.618 1.00 0.00 C ATOM 45 CG1 VAL A 3 -1.182 -4.930 -1.890 1.00 0.00 C ATOM 46 CG2 VAL A 3 -1.191 -5.901 0.437 1.00 0.00 C ATOM 0 H VAL A 3 1.636 -5.012 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 3 1.404 -6.206 0.037 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.100 -4.198 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.095 -4.390 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.591 -4.339 -2.590 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.439 -5.885 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.108 -5.345 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.441 -6.900 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.613 -5.978 1.358 1.00 0.00 H new ATOM 56 N MET A 4 0.648 -8.365 -1.002 1.00 0.00 N ATOM 57 CA MET A 4 0.472 -9.659 -1.662 1.00 0.00 C ATOM 58 C MET A 4 -0.935 -10.207 -1.438 1.00 0.00 C ATOM 59 O MET A 4 -1.334 -10.486 -0.306 1.00 0.00 O ATOM 60 CB MET A 4 1.516 -10.672 -1.166 1.00 0.00 C ATOM 61 CG MET A 4 1.354 -12.064 -1.774 1.00 0.00 C ATOM 62 SD MET A 4 2.668 -13.203 -1.291 1.00 0.00 S ATOM 63 CE MET A 4 4.090 -12.427 -2.061 1.00 0.00 C ATOM 0 H MET A 4 0.765 -8.419 0.010 1.00 0.00 H new ATOM 0 HA MET A 4 0.614 -9.504 -2.731 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.513 -10.297 -1.398 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.449 -10.749 -0.081 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.392 -12.478 -1.470 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.335 -11.980 -2.861 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.936 -13.114 -2.038 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.853 -12.178 -3.095 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.346 -11.517 -1.519 1.00 0.00 H new ATOM 73 N ILE A 5 -1.682 -10.350 -2.527 1.00 0.00 N ATOM 74 CA ILE A 5 -3.005 -10.956 -2.485 1.00 0.00 C ATOM 75 C ILE A 5 -2.874 -12.456 -2.732 1.00 0.00 C ATOM 76 O ILE A 5 -2.453 -12.885 -3.810 1.00 0.00 O ATOM 77 CB ILE A 5 -3.948 -10.328 -3.540 1.00 0.00 C ATOM 78 CG1 ILE A 5 -3.988 -8.797 -3.376 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.354 -10.924 -3.435 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.452 -8.330 -2.009 1.00 0.00 C ATOM 0 H ILE A 5 -1.389 -10.051 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.439 -10.774 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.560 -10.558 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.992 -8.396 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.650 -8.379 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.999 -10.468 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.307 -12.000 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.759 -10.729 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.451 -7.240 -1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.461 -8.698 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.778 -8.716 -1.244 1.00 0.00 H new ATOM 92 N ARG A 6 -3.224 -13.247 -1.726 1.00 0.00 N ATOM 93 CA ARG A 6 -2.987 -14.686 -1.755 1.00 0.00 C ATOM 94 C ARG A 6 -4.243 -15.438 -2.194 1.00 0.00 C ATOM 95 O ARG A 6 -5.292 -15.361 -1.547 1.00 0.00 O ATOM 96 CB ARG A 6 -2.517 -15.160 -0.372 1.00 0.00 C ATOM 97 CG ARG A 6 -1.340 -14.347 0.171 1.00 0.00 C ATOM 98 CD ARG A 6 -0.823 -14.889 1.497 1.00 0.00 C ATOM 99 NE ARG A 6 -0.198 -16.206 1.350 1.00 0.00 N ATOM 100 CZ ARG A 6 0.126 -16.998 2.373 1.00 0.00 C ATOM 101 NH1 ARG A 6 -0.084 -16.600 3.622 1.00 0.00 N ATOM 102 NH2 ARG A 6 0.680 -18.180 2.146 1.00 0.00 N ATOM 0 H ARG A 6 -3.676 -12.914 -0.874 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.206 -14.900 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.349 -15.097 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.229 -16.210 -0.432 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.531 -14.351 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.648 -13.309 0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.099 -14.190 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.648 -14.957 2.206 1.00 0.00 H new ATOM 0 HE ARG A 6 0.002 -16.538 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.495 -15.684 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.166 -17.210 4.400 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.859 -18.484 1.189 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.928 -18.786 2.928 1.00 0.00 H new ATOM 116 N LYS A 7 -4.123 -16.152 -3.313 1.00 0.00 N ATOM 117 CA LYS A 7 -5.218 -16.942 -3.869 1.00 0.00 C ATOM 118 C LYS A 7 -5.038 -18.412 -3.497 1.00 0.00 C ATOM 119 O LYS A 7 -4.057 -19.041 -3.900 1.00 0.00 O ATOM 120 CB LYS A 7 -5.254 -16.787 -5.400 1.00 0.00 C ATOM 121 CG LYS A 7 -5.503 -15.354 -5.870 1.00 0.00 C ATOM 122 CD LYS A 7 -6.950 -14.906 -5.637 1.00 0.00 C ATOM 123 CE LYS A 7 -7.867 -15.236 -6.819 1.00 0.00 C ATOM 124 NZ LYS A 7 -7.884 -16.685 -7.154 1.00 0.00 N ATOM 0 H LYS A 7 -3.263 -16.198 -3.859 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.161 -16.584 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.308 -17.136 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.035 -17.432 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.827 -14.679 -5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.268 -15.277 -6.932 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.335 -15.387 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.969 -13.831 -5.456 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.881 -14.910 -6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.543 -14.670 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.693 -16.888 -7.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.001 -16.939 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.970 -17.242 -6.280 1.00 0.00 H new ATOM 138 N THR A 8 -5.978 -18.948 -2.727 1.00 0.00 N ATOM 139 CA THR A 8 -5.929 -20.342 -2.305 1.00 0.00 C ATOM 140 C THR A 8 -7.349 -20.884 -2.134 1.00 0.00 C ATOM 141 O THR A 8 -8.326 -20.170 -2.394 1.00 0.00 O ATOM 142 CB THR A 8 -5.125 -20.502 -0.987 1.00 0.00 C ATOM 143 OG1 THR A 8 -5.008 -21.891 -0.637 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.783 -19.738 0.161 1.00 0.00 C ATOM 0 H THR A 8 -6.788 -18.434 -2.381 1.00 0.00 H new ATOM 0 HA THR A 8 -5.418 -20.916 -3.078 1.00 0.00 H new ATOM 0 HB THR A 8 -4.132 -20.086 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.497 -21.977 0.195 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.196 -19.870 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.832 -18.678 -0.088 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.791 -20.120 0.322 1.00 0.00 H new ATOM 152 N ALA A 9 -7.453 -22.138 -1.701 1.00 0.00 N ATOM 153 CA ALA A 9 -8.739 -22.809 -1.544 1.00 0.00 C ATOM 154 C ALA A 9 -9.673 -22.027 -0.620 1.00 0.00 C ATOM 155 O ALA A 9 -9.488 -22.029 0.593 1.00 0.00 O ATOM 156 CB ALA A 9 -8.529 -24.223 -1.015 1.00 0.00 C ATOM 0 H ALA A 9 -6.650 -22.715 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.213 -22.860 -2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.494 -24.716 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.914 -24.787 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -8.028 -24.179 -0.048 1.00 0.00 H new ATOM 162 N THR A 10 -10.659 -21.357 -1.229 1.00 0.00 N ATOM 163 CA THR A 10 -11.712 -20.586 -0.538 1.00 0.00 C ATOM 164 C THR A 10 -11.183 -19.328 0.178 1.00 0.00 C ATOM 165 O THR A 10 -11.698 -18.224 -0.045 1.00 0.00 O ATOM 166 CB THR A 10 -12.552 -21.445 0.457 1.00 0.00 C ATOM 167 OG1 THR A 10 -11.750 -21.910 1.552 1.00 0.00 O ATOM 168 CG2 THR A 10 -13.184 -22.638 -0.249 1.00 0.00 C ATOM 0 H THR A 10 -10.753 -21.333 -2.244 1.00 0.00 H new ATOM 0 HA THR A 10 -12.370 -20.260 -1.344 1.00 0.00 H new ATOM 0 HB THR A 10 -13.341 -20.802 0.848 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.804 -21.737 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.764 -23.220 0.468 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.840 -22.284 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.401 -23.265 -0.676 1.00 0.00 H new ATOM 176 N GLY A 11 -10.171 -19.486 1.025 1.00 0.00 N ATOM 177 CA GLY A 11 -9.677 -18.383 1.829 1.00 0.00 C ATOM 178 C GLY A 11 -8.915 -17.350 1.023 1.00 0.00 C ATOM 179 O GLY A 11 -7.683 -17.367 0.981 1.00 0.00 O ATOM 0 H GLY A 11 -9.680 -20.368 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.518 -17.899 2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.027 -18.775 2.612 1.00 0.00 H new ATOM 183 N HIS A 12 -9.643 -16.447 0.374 1.00 0.00 N ATOM 184 CA HIS A 12 -9.017 -15.347 -0.346 1.00 0.00 C ATOM 185 C HIS A 12 -8.430 -14.366 0.661 1.00 0.00 C ATOM 186 O HIS A 12 -9.167 -13.687 1.373 1.00 0.00 O ATOM 187 CB HIS A 12 -10.034 -14.642 -1.252 1.00 0.00 C ATOM 188 CG HIS A 12 -10.664 -15.548 -2.269 1.00 0.00 C ATOM 189 ND1 HIS A 12 -11.936 -16.061 -2.140 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.187 -16.032 -3.441 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.212 -16.820 -3.184 1.00 0.00 C ATOM 192 NE2 HIS A 12 -11.168 -16.819 -3.990 1.00 0.00 N ATOM 0 H HIS A 12 -10.662 -16.456 0.333 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.222 -15.738 -0.981 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.817 -14.205 -0.633 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.539 -13.819 -1.768 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.214 -15.835 -3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.137 -17.352 -3.350 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.101 -17.321 -4.876 1.00 0.00 H new ATOM 201 N SER A 13 -7.107 -14.304 0.725 1.00 0.00 N ATOM 202 CA SER A 13 -6.424 -13.555 1.776 1.00 0.00 C ATOM 203 C SER A 13 -5.652 -12.368 1.207 1.00 0.00 C ATOM 204 O SER A 13 -5.214 -12.390 0.052 1.00 0.00 O ATOM 205 CB SER A 13 -5.469 -14.488 2.530 1.00 0.00 C ATOM 206 OG SER A 13 -6.147 -15.639 3.002 1.00 0.00 O ATOM 0 H SER A 13 -6.483 -14.763 0.062 1.00 0.00 H new ATOM 0 HA SER A 13 -7.177 -13.164 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.653 -14.787 1.872 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.023 -13.955 3.370 1.00 0.00 H new ATOM 0 HG SER A 13 -6.455 -16.173 2.240 1.00 0.00 H new ATOM 212 N ALA A 14 -5.496 -11.335 2.029 1.00 0.00 N ATOM 213 CA ALA A 14 -4.699 -10.165 1.679 1.00 0.00 C ATOM 214 C ALA A 14 -3.627 -9.937 2.742 1.00 0.00 C ATOM 215 O ALA A 14 -3.943 -9.721 3.915 1.00 0.00 O ATOM 216 CB ALA A 14 -5.590 -8.933 1.540 1.00 0.00 C ATOM 0 H ALA A 14 -5.918 -11.286 2.956 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.213 -10.340 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.979 -8.069 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.329 -9.105 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.100 -8.744 2.485 1.00 0.00 H new ATOM 222 N TYR A 15 -2.365 -10.004 2.330 1.00 0.00 N ATOM 223 CA TYR A 15 -1.239 -9.849 3.247 1.00 0.00 C ATOM 224 C TYR A 15 -0.568 -8.488 3.062 1.00 0.00 C ATOM 225 O TYR A 15 0.120 -8.247 2.064 1.00 0.00 O ATOM 226 CB TYR A 15 -0.219 -10.981 3.039 1.00 0.00 C ATOM 227 CG TYR A 15 1.043 -10.838 3.875 1.00 0.00 C ATOM 228 CD1 TYR A 15 0.969 -10.585 5.241 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.304 -10.945 3.297 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.111 -10.445 6.004 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.450 -10.804 4.054 1.00 0.00 C ATOM 232 CZ TYR A 15 3.349 -10.557 5.406 1.00 0.00 C ATOM 233 OH TYR A 15 4.490 -10.409 6.163 1.00 0.00 O ATOM 0 H TYR A 15 -2.094 -10.166 1.360 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.621 -9.904 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.694 -11.933 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.058 -11.018 1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.001 -10.497 5.713 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.388 -11.142 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.036 -10.249 7.063 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.421 -10.887 3.589 1.00 0.00 H new ATOM 0 HH TYR A 15 5.278 -10.518 5.591 1.00 0.00 H new ATOM 243 N VAL A 16 -0.787 -7.602 4.026 1.00 0.00 N ATOM 244 CA VAL A 16 -0.161 -6.286 4.033 1.00 0.00 C ATOM 245 C VAL A 16 1.126 -6.333 4.856 1.00 0.00 C ATOM 246 O VAL A 16 1.092 -6.223 6.085 1.00 0.00 O ATOM 247 CB VAL A 16 -1.111 -5.207 4.614 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.501 -3.812 4.474 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.484 -5.273 3.944 1.00 0.00 C ATOM 0 H VAL A 16 -1.401 -7.775 4.822 1.00 0.00 H new ATOM 0 HA VAL A 16 0.066 -6.016 3.002 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.245 -5.411 5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.186 -3.072 4.889 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.445 -3.773 5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.327 -3.595 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.133 -4.507 4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.375 -5.104 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.924 -6.256 4.113 1.00 0.00 H new ATOM 259 N ALA A 17 2.252 -6.506 4.170 1.00 0.00 N ATOM 260 CA ALA A 17 3.548 -6.705 4.820 1.00 0.00 C ATOM 261 C ALA A 17 3.914 -5.550 5.753 1.00 0.00 C ATOM 262 O ALA A 17 4.351 -5.776 6.885 1.00 0.00 O ATOM 263 CB ALA A 17 4.631 -6.908 3.768 1.00 0.00 C ATOM 0 H ALA A 17 2.294 -6.513 3.151 1.00 0.00 H new ATOM 0 HA ALA A 17 3.472 -7.599 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.593 -7.055 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.393 -7.785 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.683 -6.029 3.125 1.00 0.00 H new ATOM 269 N LYS A 18 3.728 -4.314 5.289 1.00 0.00 N ATOM 270 CA LYS A 18 4.096 -3.139 6.081 1.00 0.00 C ATOM 271 C LYS A 18 3.263 -3.056 7.360 1.00 0.00 C ATOM 272 O LYS A 18 3.755 -2.631 8.404 1.00 0.00 O ATOM 273 CB LYS A 18 3.933 -1.837 5.278 1.00 0.00 C ATOM 274 CG LYS A 18 2.485 -1.479 4.932 1.00 0.00 C ATOM 275 CD LYS A 18 2.349 -0.003 4.556 1.00 0.00 C ATOM 276 CE LYS A 18 0.908 0.386 4.246 1.00 0.00 C ATOM 277 NZ LYS A 18 0.760 1.856 4.062 1.00 0.00 N ATOM 0 H LYS A 18 3.328 -4.101 4.375 1.00 0.00 H new ATOM 0 HA LYS A 18 5.147 -3.253 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.370 -1.017 5.848 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.503 -1.922 4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.143 -2.100 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.841 -1.700 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.721 0.614 5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.974 0.207 3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.579 -0.128 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.259 0.054 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.233 2.081 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.050 2.346 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.360 2.169 3.272 1.00 0.00 H new ATOM 291 N LYS A 19 2.003 -3.469 7.269 1.00 0.00 N ATOM 292 CA LYS A 19 1.080 -3.392 8.399 1.00 0.00 C ATOM 293 C LYS A 19 1.145 -4.684 9.212 1.00 0.00 C ATOM 294 O LYS A 19 0.581 -4.775 10.303 1.00 0.00 O ATOM 295 CB LYS A 19 -0.352 -3.154 7.888 1.00 0.00 C ATOM 296 CG LYS A 19 -1.318 -2.623 8.944 1.00 0.00 C ATOM 297 CD LYS A 19 -2.747 -2.528 8.409 1.00 0.00 C ATOM 298 CE LYS A 19 -3.671 -1.788 9.374 1.00 0.00 C ATOM 299 NZ LYS A 19 -3.656 -2.376 10.742 1.00 0.00 N ATOM 0 H LYS A 19 1.595 -3.862 6.421 1.00 0.00 H new ATOM 0 HA LYS A 19 1.367 -2.559 9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.316 -2.448 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.744 -4.091 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.299 -3.277 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.988 -1.639 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.741 -2.015 7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.135 -3.531 8.232 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.371 -0.742 9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.689 -1.808 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.631 -2.568 11.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.115 -3.264 10.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.211 -1.707 11.403 1.00 0.00 H new ATOM 313 N ASP A 20 1.836 -5.683 8.649 1.00 0.00 N ATOM 314 CA ASP A 20 1.992 -7.001 9.280 1.00 0.00 C ATOM 315 C ASP A 20 0.638 -7.687 9.460 1.00 0.00 C ATOM 316 O ASP A 20 0.506 -8.618 10.261 1.00 0.00 O ATOM 317 CB ASP A 20 2.708 -6.885 10.638 1.00 0.00 C ATOM 318 CG ASP A 20 4.149 -6.419 10.511 1.00 0.00 C ATOM 319 OD1 ASP A 20 5.026 -7.255 10.193 1.00 0.00 O ATOM 320 OD2 ASP A 20 4.419 -5.219 10.738 1.00 0.00 O ATOM 0 H ASP A 20 2.302 -5.602 7.745 1.00 0.00 H new ATOM 0 HA ASP A 20 2.605 -7.610 8.616 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.161 -6.188 11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.688 -7.854 11.137 1.00 0.00 H new ATOM 325 N LEU A 21 -0.353 -7.247 8.689 1.00 0.00 N ATOM 326 CA LEU A 21 -1.721 -7.743 8.825 1.00 0.00 C ATOM 327 C LEU A 21 -2.055 -8.673 7.660 1.00 0.00 C ATOM 328 O LEU A 21 -1.855 -8.319 6.498 1.00 0.00 O ATOM 329 CB LEU A 21 -2.708 -6.553 8.872 1.00 0.00 C ATOM 330 CG LEU A 21 -4.089 -6.824 9.516 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.880 -5.523 9.657 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.900 -7.843 8.718 1.00 0.00 C ATOM 0 H LEU A 21 -0.234 -6.544 7.960 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.810 -8.306 9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.232 -5.737 9.416 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.870 -6.204 7.852 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.907 -7.243 10.505 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.848 -5.733 10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.326 -4.827 10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.030 -5.080 8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.862 -8.004 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.063 -7.468 7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.355 -8.786 8.671 1.00 0.00 H new ATOM 344 N GLU A 22 -2.556 -9.860 7.985 1.00 0.00 N ATOM 345 CA GLU A 22 -3.006 -10.822 6.984 1.00 0.00 C ATOM 346 C GLU A 22 -4.397 -11.325 7.365 1.00 0.00 C ATOM 347 O GLU A 22 -4.566 -11.989 8.392 1.00 0.00 O ATOM 348 CB GLU A 22 -2.019 -11.994 6.882 1.00 0.00 C ATOM 349 CG GLU A 22 -2.382 -13.017 5.809 1.00 0.00 C ATOM 350 CD GLU A 22 -1.380 -14.156 5.717 1.00 0.00 C ATOM 351 OE1 GLU A 22 -1.412 -15.053 6.588 1.00 0.00 O ATOM 352 OE2 GLU A 22 -0.555 -14.164 4.778 1.00 0.00 O ATOM 0 H GLU A 22 -2.662 -10.182 8.947 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.051 -10.336 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.024 -11.601 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.967 -12.497 7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.370 -13.425 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.445 -12.516 4.843 1.00 0.00 H new ATOM 359 N GLU A 23 -5.394 -10.996 6.550 1.00 0.00 N ATOM 360 CA GLU A 23 -6.779 -11.333 6.866 1.00 0.00 C ATOM 361 C GLU A 23 -7.504 -11.870 5.639 1.00 0.00 C ATOM 362 O GLU A 23 -7.077 -11.648 4.501 1.00 0.00 O ATOM 363 CB GLU A 23 -7.517 -10.096 7.400 1.00 0.00 C ATOM 364 CG GLU A 23 -8.856 -10.405 8.062 1.00 0.00 C ATOM 365 CD GLU A 23 -8.742 -11.396 9.209 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.793 -12.617 8.952 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.612 -10.959 10.370 1.00 0.00 O ATOM 0 H GLU A 23 -5.270 -10.498 5.668 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.770 -12.109 7.632 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.877 -9.588 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.683 -9.402 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.293 -9.478 8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.541 -10.803 7.313 1.00 0.00 H new ATOM 374 N LEU A 24 -8.605 -12.573 5.887 1.00 0.00 N ATOM 375 CA LEU A 24 -9.466 -13.078 4.827 1.00 0.00 C ATOM 376 C LEU A 24 -10.364 -11.956 4.313 1.00 0.00 C ATOM 377 O LEU A 24 -10.805 -11.105 5.087 1.00 0.00 O ATOM 378 CB LEU A 24 -10.328 -14.239 5.349 1.00 0.00 C ATOM 379 CG LEU A 24 -9.548 -15.432 5.927 1.00 0.00 C ATOM 380 CD1 LEU A 24 -10.506 -16.486 6.476 1.00 0.00 C ATOM 381 CD2 LEU A 24 -8.623 -16.040 4.873 1.00 0.00 C ATOM 0 H LEU A 24 -8.924 -12.807 6.827 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.843 -13.443 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.996 -13.855 6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.956 -14.598 4.534 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.931 -15.068 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.935 -17.322 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.116 -16.047 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.153 -16.843 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.082 -16.882 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.215 -16.386 4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.911 -15.287 4.535 1.00 0.00 H new ATOM 393 N ILE A 25 -10.620 -11.953 3.014 1.00 0.00 N ATOM 394 CA ILE A 25 -11.490 -10.960 2.398 1.00 0.00 C ATOM 395 C ILE A 25 -12.936 -11.461 2.399 1.00 0.00 C ATOM 396 O ILE A 25 -13.219 -12.542 1.880 1.00 0.00 O ATOM 397 CB ILE A 25 -11.040 -10.653 0.946 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.585 -10.143 0.938 1.00 0.00 C ATOM 399 CG2 ILE A 25 -11.978 -9.639 0.294 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.032 -9.874 -0.447 1.00 0.00 C ATOM 0 H ILE A 25 -10.234 -12.634 2.360 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.425 -10.040 2.979 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.086 -11.573 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.529 -9.226 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.951 -10.878 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.645 -9.437 -0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.990 -10.042 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.969 -8.713 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.005 -9.519 -0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.053 -10.793 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.640 -9.116 -0.941 1.00 0.00 H new ATOM 412 N VAL A 26 -13.840 -10.686 2.996 1.00 0.00 N ATOM 413 CA VAL A 26 -15.244 -11.092 3.130 1.00 0.00 C ATOM 414 C VAL A 26 -16.178 -10.250 2.253 1.00 0.00 C ATOM 415 O VAL A 26 -17.243 -10.719 1.845 1.00 0.00 O ATOM 416 CB VAL A 26 -15.716 -11.004 4.605 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.941 -11.987 5.481 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.577 -9.579 5.141 1.00 0.00 C ATOM 0 H VAL A 26 -13.628 -9.772 3.396 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.295 -12.127 2.793 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.771 -11.275 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.288 -11.908 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.104 -13.003 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.877 -11.753 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.915 -9.545 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.533 -9.271 5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -16.184 -8.903 4.539 1.00 0.00 H new ATOM 428 N GLU A 27 -15.781 -9.010 1.968 1.00 0.00 N ATOM 429 CA GLU A 27 -16.619 -8.078 1.207 1.00 0.00 C ATOM 430 C GLU A 27 -15.832 -7.448 0.056 1.00 0.00 C ATOM 431 O GLU A 27 -15.054 -6.512 0.261 1.00 0.00 O ATOM 432 CB GLU A 27 -17.170 -6.983 2.135 1.00 0.00 C ATOM 433 CG GLU A 27 -18.332 -7.433 3.014 1.00 0.00 C ATOM 434 CD GLU A 27 -19.591 -7.712 2.209 1.00 0.00 C ATOM 435 OE1 GLU A 27 -20.133 -6.761 1.605 1.00 0.00 O ATOM 436 OE2 GLU A 27 -20.043 -8.877 2.171 1.00 0.00 O ATOM 0 H GLU A 27 -14.881 -8.625 2.253 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.453 -8.638 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -16.363 -6.625 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.495 -6.138 1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.045 -8.332 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.542 -6.664 3.757 1.00 0.00 H new ATOM 443 N MET A 28 -16.038 -7.966 -1.150 1.00 0.00 N ATOM 444 CA MET A 28 -15.332 -7.485 -2.336 1.00 0.00 C ATOM 445 C MET A 28 -16.221 -6.535 -3.136 1.00 0.00 C ATOM 446 O MET A 28 -17.447 -6.598 -3.043 1.00 0.00 O ATOM 447 CB MET A 28 -14.927 -8.659 -3.245 1.00 0.00 C ATOM 448 CG MET A 28 -14.286 -9.836 -2.522 1.00 0.00 C ATOM 449 SD MET A 28 -15.442 -10.691 -1.429 1.00 0.00 S ATOM 450 CE MET A 28 -14.477 -12.123 -0.955 1.00 0.00 C ATOM 0 H MET A 28 -16.694 -8.725 -1.334 1.00 0.00 H new ATOM 0 HA MET A 28 -14.438 -6.961 -1.998 1.00 0.00 H new ATOM 0 HB2 MET A 28 -15.812 -9.014 -3.773 1.00 0.00 H new ATOM 0 HB3 MET A 28 -14.232 -8.292 -4.000 1.00 0.00 H new ATOM 0 HG2 MET A 28 -13.897 -10.541 -3.257 1.00 0.00 H new ATOM 0 HG3 MET A 28 -13.436 -9.481 -1.940 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.817 -12.486 0.015 1.00 0.00 H new ATOM 0 HE2 MET A 28 -14.601 -12.908 -1.701 1.00 0.00 H new ATOM 0 HE3 MET A 28 -13.424 -11.847 -0.890 1.00 0.00 H new ATOM 460 N GLU A 29 -15.595 -5.654 -3.911 1.00 0.00 N ATOM 461 CA GLU A 29 -16.309 -4.827 -4.883 1.00 0.00 C ATOM 462 C GLU A 29 -16.844 -5.717 -5.999 1.00 0.00 C ATOM 463 O GLU A 29 -18.038 -5.712 -6.308 1.00 0.00 O ATOM 464 CB GLU A 29 -15.365 -3.753 -5.455 1.00 0.00 C ATOM 465 CG GLU A 29 -15.866 -3.057 -6.721 1.00 0.00 C ATOM 466 CD GLU A 29 -17.175 -2.305 -6.531 1.00 0.00 C ATOM 467 OE1 GLU A 29 -17.166 -1.249 -5.867 1.00 0.00 O ATOM 468 OE2 GLU A 29 -18.213 -2.753 -7.064 1.00 0.00 O ATOM 0 H GLU A 29 -14.588 -5.493 -3.885 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.144 -4.324 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.192 -2.998 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.402 -4.215 -5.670 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.104 -2.359 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.996 -3.801 -7.506 1.00 0.00 H new ATOM 475 N ASN A 30 -15.942 -6.491 -6.586 1.00 0.00 N ATOM 476 CA ASN A 30 -16.291 -7.430 -7.643 1.00 0.00 C ATOM 477 C ASN A 30 -16.466 -8.819 -7.037 1.00 0.00 C ATOM 478 O ASN A 30 -15.613 -9.267 -6.271 1.00 0.00 O ATOM 479 CB ASN A 30 -15.190 -7.450 -8.710 1.00 0.00 C ATOM 480 CG ASN A 30 -15.526 -8.298 -9.927 1.00 0.00 C ATOM 481 OD1 ASN A 30 -16.679 -8.406 -10.335 1.00 0.00 O ATOM 482 ND2 ASN A 30 -14.509 -8.904 -10.519 1.00 0.00 N ATOM 0 H ASN A 30 -14.951 -6.486 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.224 -7.122 -8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.994 -6.428 -9.035 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.270 -7.824 -8.261 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.670 -9.484 -11.343 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.564 -8.791 -10.152 1.00 0.00 H new ATOM 489 N PRO A 31 -17.578 -9.505 -7.364 1.00 0.00 N ATOM 490 CA PRO A 31 -17.906 -10.846 -6.847 1.00 0.00 C ATOM 491 C PRO A 31 -16.700 -11.788 -6.807 1.00 0.00 C ATOM 492 O PRO A 31 -16.538 -12.561 -5.863 1.00 0.00 O ATOM 493 CB PRO A 31 -18.971 -11.360 -7.844 1.00 0.00 C ATOM 494 CG PRO A 31 -19.041 -10.321 -8.921 1.00 0.00 C ATOM 495 CD PRO A 31 -18.624 -9.039 -8.272 1.00 0.00 C ATOM 0 HA PRO A 31 -18.249 -10.805 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.691 -12.331 -8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -19.938 -11.486 -7.356 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.381 -10.572 -9.751 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -20.050 -10.245 -9.327 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -18.248 -8.315 -8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.447 -8.561 -7.741 1.00 0.00 H new ATOM 503 N ALA A 32 -15.865 -11.725 -7.839 1.00 0.00 N ATOM 504 CA ALA A 32 -14.656 -12.537 -7.893 1.00 0.00 C ATOM 505 C ALA A 32 -13.646 -12.062 -6.848 1.00 0.00 C ATOM 506 O ALA A 32 -13.358 -12.777 -5.885 1.00 0.00 O ATOM 507 CB ALA A 32 -14.051 -12.496 -9.292 1.00 0.00 C ATOM 0 H ALA A 32 -16.004 -11.120 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.919 -13.570 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.149 -13.107 -9.316 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.772 -12.884 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.799 -11.467 -9.550 1.00 0.00 H new ATOM 513 N LEU A 33 -13.135 -10.844 -7.044 1.00 0.00 N ATOM 514 CA LEU A 33 -12.177 -10.218 -6.127 1.00 0.00 C ATOM 515 C LEU A 33 -11.764 -8.843 -6.651 1.00 0.00 C ATOM 516 O LEU A 33 -12.181 -7.807 -6.127 1.00 0.00 O ATOM 517 CB LEU A 33 -10.915 -11.093 -5.928 1.00 0.00 C ATOM 518 CG LEU A 33 -10.814 -11.830 -4.579 1.00 0.00 C ATOM 519 CD1 LEU A 33 -9.522 -12.638 -4.505 1.00 0.00 C ATOM 520 CD2 LEU A 33 -10.897 -10.845 -3.416 1.00 0.00 C ATOM 0 H LEU A 33 -13.375 -10.261 -7.846 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.673 -10.112 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.879 -11.833 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.035 -10.459 -6.041 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.656 -12.518 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.468 -13.151 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.505 -13.372 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.668 -11.968 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.824 -11.388 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.079 -10.129 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.848 -10.314 -3.456 1.00 0.00 H new ATOM 532 N TRP A 34 -10.957 -8.855 -7.709 1.00 0.00 N ATOM 533 CA TRP A 34 -10.353 -7.639 -8.249 1.00 0.00 C ATOM 534 C TRP A 34 -11.389 -6.787 -8.969 1.00 0.00 C ATOM 535 O TRP A 34 -12.255 -7.315 -9.673 1.00 0.00 O ATOM 536 CB TRP A 34 -9.214 -8.005 -9.208 1.00 0.00 C ATOM 537 CG TRP A 34 -8.188 -8.907 -8.582 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.313 -10.245 -8.338 1.00 0.00 C ATOM 539 CD2 TRP A 34 -6.888 -8.538 -8.118 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.174 -10.727 -7.751 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.284 -9.700 -7.605 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.178 -7.339 -8.085 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.003 -9.695 -7.068 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -4.907 -7.336 -7.552 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.330 -8.507 -7.048 1.00 0.00 C ATOM 0 H TRP A 34 -10.704 -9.704 -8.215 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.953 -7.057 -7.419 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.631 -8.494 -10.089 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -8.727 -7.092 -9.550 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.185 -10.837 -8.574 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.015 -11.694 -7.469 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.616 -6.430 -8.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.555 -10.598 -6.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.346 -6.413 -7.523 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.333 -8.470 -6.635 1.00 0.00 H new ATOM 556 N GLY A 35 -11.292 -5.472 -8.793 1.00 0.00 N ATOM 557 CA GLY A 35 -12.236 -4.556 -9.412 1.00 0.00 C ATOM 558 C GLY A 35 -12.400 -3.277 -8.618 1.00 0.00 C ATOM 559 O GLY A 35 -12.787 -2.245 -9.167 1.00 0.00 O ATOM 0 H GLY A 35 -10.571 -5.022 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.897 -4.315 -10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.204 -5.047 -9.510 1.00 0.00 H new ATOM 563 N GLY A 36 -12.107 -3.344 -7.325 1.00 0.00 N ATOM 564 CA GLY A 36 -12.236 -2.182 -6.467 1.00 0.00 C ATOM 565 C GLY A 36 -11.946 -2.513 -5.017 1.00 0.00 C ATOM 566 O GLY A 36 -11.015 -3.256 -4.724 1.00 0.00 O ATOM 0 H GLY A 36 -11.781 -4.187 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.552 -1.404 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.245 -1.779 -6.552 1.00 0.00 H new ATOM 570 N LYS A 37 -12.759 -1.989 -4.110 1.00 0.00 N ATOM 571 CA LYS A 37 -12.536 -2.173 -2.680 1.00 0.00 C ATOM 572 C LYS A 37 -12.726 -3.629 -2.255 1.00 0.00 C ATOM 573 O LYS A 37 -13.538 -4.360 -2.821 1.00 0.00 O ATOM 574 CB LYS A 37 -13.457 -1.240 -1.860 1.00 0.00 C ATOM 575 CG LYS A 37 -14.956 -1.321 -2.197 1.00 0.00 C ATOM 576 CD LYS A 37 -15.652 -2.564 -1.621 1.00 0.00 C ATOM 577 CE LYS A 37 -15.561 -2.631 -0.097 1.00 0.00 C ATOM 578 NZ LYS A 37 -16.326 -3.784 0.456 1.00 0.00 N ATOM 0 H LYS A 37 -13.582 -1.431 -4.339 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.499 -1.908 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.328 -1.470 -0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.125 -0.212 -2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.453 -0.428 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.077 -1.317 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.700 -2.561 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.202 -3.460 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.516 -2.713 0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.943 -1.704 0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.948 -4.035 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.329 -3.524 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.236 -4.599 -0.183 1.00 0.00 H new ATOM 592 N VAL A 38 -11.947 -4.040 -1.267 1.00 0.00 N ATOM 593 CA VAL A 38 -12.100 -5.336 -0.624 1.00 0.00 C ATOM 594 C VAL A 38 -11.941 -5.156 0.881 1.00 0.00 C ATOM 595 O VAL A 38 -11.067 -4.414 1.335 1.00 0.00 O ATOM 596 CB VAL A 38 -11.078 -6.383 -1.146 1.00 0.00 C ATOM 597 CG1 VAL A 38 -11.344 -6.722 -2.612 1.00 0.00 C ATOM 598 CG2 VAL A 38 -9.641 -5.897 -0.953 1.00 0.00 C ATOM 0 H VAL A 38 -11.185 -3.479 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.092 -5.719 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.205 -7.292 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.615 -7.457 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.349 -7.133 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.258 -5.818 -3.216 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.949 -6.651 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.495 -4.966 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.454 -5.727 0.107 1.00 0.00 H new ATOM 608 N THR A 39 -12.798 -5.803 1.649 1.00 0.00 N ATOM 609 CA THR A 39 -12.805 -5.639 3.093 1.00 0.00 C ATOM 610 C THR A 39 -12.339 -6.915 3.784 1.00 0.00 C ATOM 611 O THR A 39 -12.840 -8.009 3.496 1.00 0.00 O ATOM 612 CB THR A 39 -14.214 -5.266 3.597 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.711 -4.141 2.853 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.203 -4.934 5.088 1.00 0.00 C ATOM 0 H THR A 39 -13.502 -6.451 1.296 1.00 0.00 H new ATOM 0 HA THR A 39 -12.116 -4.830 3.337 1.00 0.00 H new ATOM 0 HB THR A 39 -14.867 -6.126 3.448 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.432 -3.709 3.356 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.212 -4.676 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.852 -5.799 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.537 -4.090 5.268 1.00 0.00 H new ATOM 622 N LEU A 40 -11.370 -6.763 4.678 1.00 0.00 N ATOM 623 CA LEU A 40 -10.872 -7.872 5.479 1.00 0.00 C ATOM 624 C LEU A 40 -11.906 -8.260 6.533 1.00 0.00 C ATOM 625 O LEU A 40 -12.745 -7.441 6.914 1.00 0.00 O ATOM 626 CB LEU A 40 -9.553 -7.482 6.166 1.00 0.00 C ATOM 627 CG LEU A 40 -8.413 -7.052 5.228 1.00 0.00 C ATOM 628 CD1 LEU A 40 -7.151 -6.713 6.017 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.132 -8.127 4.176 1.00 0.00 C ATOM 0 H LEU A 40 -10.910 -5.872 4.867 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.691 -8.723 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.754 -6.666 6.861 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.210 -8.329 6.760 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.732 -6.150 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.361 -6.412 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.362 -5.896 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.828 -7.589 6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.322 -7.797 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.845 -9.055 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.029 -8.296 3.580 1.00 0.00 H new ATOM 641 N ALA A 41 -11.829 -9.496 7.014 1.00 0.00 N ATOM 642 CA ALA A 41 -12.730 -9.982 8.061 1.00 0.00 C ATOM 643 C ALA A 41 -12.550 -9.170 9.345 1.00 0.00 C ATOM 644 O ALA A 41 -13.402 -9.184 10.237 1.00 0.00 O ATOM 645 CB ALA A 41 -12.487 -11.465 8.324 1.00 0.00 C ATOM 0 H ALA A 41 -11.149 -10.186 6.695 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.757 -9.856 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.164 -11.812 9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.667 -12.031 7.410 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.456 -11.613 8.646 1.00 0.00 H new ATOM 651 N ASN A 42 -11.421 -8.466 9.425 1.00 0.00 N ATOM 652 CA ASN A 42 -11.124 -7.575 10.546 1.00 0.00 C ATOM 653 C ASN A 42 -12.039 -6.352 10.514 1.00 0.00 C ATOM 654 O ASN A 42 -12.367 -5.777 11.554 1.00 0.00 O ATOM 655 CB ASN A 42 -9.652 -7.132 10.482 1.00 0.00 C ATOM 656 CG ASN A 42 -9.282 -6.138 11.575 1.00 0.00 C ATOM 657 OD1 ASN A 42 -9.424 -4.926 11.401 1.00 0.00 O ATOM 658 ND2 ASN A 42 -8.794 -6.643 12.699 1.00 0.00 N ATOM 0 H ASN A 42 -10.688 -8.497 8.716 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.298 -8.113 11.478 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.010 -8.009 10.564 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.455 -6.683 9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.520 -6.022 13.460 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.693 -7.653 12.803 1.00 0.00 H new ATOM 665 N GLY A 43 -12.468 -5.978 9.311 1.00 0.00 N ATOM 666 CA GLY A 43 -13.261 -4.774 9.127 1.00 0.00 C ATOM 667 C GLY A 43 -12.481 -3.707 8.390 1.00 0.00 C ATOM 668 O GLY A 43 -13.056 -2.765 7.841 1.00 0.00 O ATOM 0 H GLY A 43 -12.278 -6.494 8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.167 -5.015 8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -13.576 -4.392 10.098 1.00 0.00 H new ATOM 672 N TRP A 44 -11.160 -3.858 8.384 1.00 0.00 N ATOM 673 CA TRP A 44 -10.277 -2.935 7.682 1.00 0.00 C ATOM 674 C TRP A 44 -10.426 -3.121 6.170 1.00 0.00 C ATOM 675 O TRP A 44 -10.580 -4.248 5.693 1.00 0.00 O ATOM 676 CB TRP A 44 -8.823 -3.173 8.114 1.00 0.00 C ATOM 677 CG TRP A 44 -7.911 -2.021 7.813 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.973 -1.938 6.822 1.00 0.00 C ATOM 679 CD2 TRP A 44 -7.856 -0.781 8.523 1.00 0.00 C ATOM 680 NE1 TRP A 44 -6.339 -0.719 6.878 1.00 0.00 N ATOM 681 CE2 TRP A 44 -6.865 0.007 7.913 1.00 0.00 C ATOM 682 CE3 TRP A 44 -8.553 -0.262 9.618 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -6.555 1.287 8.364 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -8.243 1.009 10.062 1.00 0.00 C ATOM 685 CH2 TRP A 44 -7.252 1.771 9.436 1.00 0.00 C ATOM 0 H TRP A 44 -10.675 -4.618 8.862 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.551 -1.911 7.935 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.799 -3.374 9.185 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.445 -4.065 7.614 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.761 -2.715 6.102 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.598 -0.407 6.251 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -9.320 -0.844 10.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.790 1.878 7.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -8.775 1.421 10.907 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.033 2.761 9.807 1.00 0.00 H new ATOM 696 N GLN A 45 -10.391 -2.023 5.422 1.00 0.00 N ATOM 697 CA GLN A 45 -10.629 -2.067 3.980 1.00 0.00 C ATOM 698 C GLN A 45 -9.378 -1.681 3.187 1.00 0.00 C ATOM 699 O GLN A 45 -8.577 -0.847 3.620 1.00 0.00 O ATOM 700 CB GLN A 45 -11.798 -1.143 3.609 1.00 0.00 C ATOM 701 CG GLN A 45 -13.112 -1.521 4.289 1.00 0.00 C ATOM 702 CD GLN A 45 -14.292 -0.660 3.860 1.00 0.00 C ATOM 703 OE1 GLN A 45 -14.273 -0.184 2.623 1.00 0.00 O flip ATOM 704 NE2 GLN A 45 -15.222 -0.434 4.635 1.00 0.00 N flip ATOM 0 H GLN A 45 -10.200 -1.091 5.789 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.883 -3.094 3.717 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.540 -0.119 3.878 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.938 -1.163 2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.337 -2.565 4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.988 -1.441 5.369 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.203 -0.817 5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.012 0.136 4.332 1.00 0.00 H new ATOM 713 N LEU A 46 -9.228 -2.308 2.024 1.00 0.00 N ATOM 714 CA LEU A 46 -8.126 -2.039 1.105 1.00 0.00 C ATOM 715 C LEU A 46 -8.686 -1.936 -0.313 1.00 0.00 C ATOM 716 O LEU A 46 -9.606 -2.673 -0.668 1.00 0.00 O ATOM 717 CB LEU A 46 -7.083 -3.167 1.186 1.00 0.00 C ATOM 718 CG LEU A 46 -5.822 -2.975 0.321 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.006 -1.781 0.810 1.00 0.00 C ATOM 720 CD2 LEU A 46 -4.973 -4.247 0.313 1.00 0.00 C ATOM 0 H LEU A 46 -9.874 -3.024 1.690 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.638 -1.103 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.775 -3.278 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.562 -4.102 0.894 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.139 -2.772 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.121 -1.665 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.613 -0.877 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.701 -1.947 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.088 -4.090 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.668 -4.487 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.557 -5.072 -0.095 1.00 0.00 H new ATOM 732 N GLU A 47 -8.156 -1.021 -1.117 1.00 0.00 N ATOM 733 CA GLU A 47 -8.657 -0.824 -2.476 1.00 0.00 C ATOM 734 C GLU A 47 -7.859 -1.679 -3.457 1.00 0.00 C ATOM 735 O GLU A 47 -6.706 -1.376 -3.778 1.00 0.00 O ATOM 736 CB GLU A 47 -8.601 0.658 -2.865 1.00 0.00 C ATOM 737 CG GLU A 47 -9.290 0.971 -4.188 1.00 0.00 C ATOM 738 CD GLU A 47 -9.417 2.464 -4.455 1.00 0.00 C ATOM 739 OE1 GLU A 47 -8.390 3.115 -4.731 1.00 0.00 O ATOM 740 OE2 GLU A 47 -10.553 2.987 -4.406 1.00 0.00 O ATOM 0 H GLU A 47 -7.385 -0.407 -0.856 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.700 -1.138 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.064 1.249 -2.075 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.558 0.969 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.730 0.509 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.283 0.522 -4.189 1.00 0.00 H new ATOM 747 N LEU A 48 -8.488 -2.752 -3.916 1.00 0.00 N ATOM 748 CA LEU A 48 -7.843 -3.737 -4.775 1.00 0.00 C ATOM 749 C LEU A 48 -7.873 -3.277 -6.238 1.00 0.00 C ATOM 750 O LEU A 48 -8.940 -2.940 -6.761 1.00 0.00 O ATOM 751 CB LEU A 48 -8.565 -5.084 -4.616 1.00 0.00 C ATOM 752 CG LEU A 48 -7.815 -6.312 -5.155 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.473 -6.474 -4.447 1.00 0.00 C ATOM 754 CD2 LEU A 48 -8.660 -7.575 -4.995 1.00 0.00 C ATOM 0 H LEU A 48 -9.462 -2.965 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.799 -3.848 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.770 -5.242 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.529 -5.020 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.628 -6.158 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.956 -7.349 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.863 -5.586 -4.615 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.639 -6.603 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.110 -8.432 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.881 -7.733 -3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.592 -7.462 -5.548 1.00 0.00 H new ATOM 766 N PRO A 49 -6.702 -3.234 -6.912 1.00 0.00 N ATOM 767 CA PRO A 49 -6.602 -2.815 -8.322 1.00 0.00 C ATOM 768 C PRO A 49 -7.570 -3.566 -9.246 1.00 0.00 C ATOM 769 O PRO A 49 -7.849 -4.751 -9.047 1.00 0.00 O ATOM 770 CB PRO A 49 -5.146 -3.140 -8.684 1.00 0.00 C ATOM 771 CG PRO A 49 -4.414 -3.060 -7.388 1.00 0.00 C ATOM 772 CD PRO A 49 -5.377 -3.569 -6.347 1.00 0.00 C ATOM 0 HA PRO A 49 -6.868 -1.766 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.059 -4.131 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.749 -2.430 -9.409 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.507 -3.664 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.109 -2.036 -7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.267 -4.642 -6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.218 -3.087 -5.383 1.00 0.00 H new ATOM 780 N ALA A 50 -8.075 -2.863 -10.256 1.00 0.00 N ATOM 781 CA ALA A 50 -9.009 -3.445 -11.213 1.00 0.00 C ATOM 782 C ALA A 50 -8.263 -4.155 -12.343 1.00 0.00 C ATOM 783 O ALA A 50 -7.943 -3.550 -13.369 1.00 0.00 O ATOM 784 CB ALA A 50 -9.939 -2.370 -11.770 1.00 0.00 C ATOM 0 H ALA A 50 -7.851 -1.884 -10.433 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.613 -4.188 -10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.630 -2.820 -12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.503 -1.918 -10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.349 -1.603 -12.272 1.00 0.00 H new ATOM 790 N MET A 51 -7.960 -5.430 -12.126 1.00 0.00 N ATOM 791 CA MET A 51 -7.289 -6.262 -13.127 1.00 0.00 C ATOM 792 C MET A 51 -7.980 -7.628 -13.201 1.00 0.00 C ATOM 793 O MET A 51 -9.182 -7.719 -12.927 1.00 0.00 O ATOM 794 CB MET A 51 -5.798 -6.407 -12.777 1.00 0.00 C ATOM 795 CG MET A 51 -5.527 -7.073 -11.433 1.00 0.00 C ATOM 796 SD MET A 51 -3.762 -7.223 -11.075 1.00 0.00 S ATOM 797 CE MET A 51 -3.270 -5.500 -11.046 1.00 0.00 C ATOM 0 H MET A 51 -8.170 -5.918 -11.255 1.00 0.00 H new ATOM 0 HA MET A 51 -7.357 -5.788 -14.106 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.308 -6.986 -13.560 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.340 -5.418 -12.777 1.00 0.00 H new ATOM 0 HG2 MET A 51 -6.007 -6.496 -10.642 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.981 -8.064 -11.425 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.741 -5.257 -11.968 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.155 -4.870 -10.959 1.00 0.00 H new ATOM 0 HE3 MET A 51 -2.614 -5.323 -10.194 1.00 0.00 H new ATOM 807 N ALA A 52 -7.239 -8.674 -13.588 1.00 0.00 N ATOM 808 CA ALA A 52 -7.787 -10.034 -13.651 1.00 0.00 C ATOM 809 C ALA A 52 -8.531 -10.374 -12.358 1.00 0.00 C ATOM 810 O ALA A 52 -7.921 -10.496 -11.297 1.00 0.00 O ATOM 811 CB ALA A 52 -6.676 -11.046 -13.910 1.00 0.00 C ATOM 0 H ALA A 52 -6.259 -8.604 -13.862 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.496 -10.081 -14.478 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.100 -12.049 -13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.189 -10.817 -14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.944 -10.997 -13.104 1.00 0.00 H new ATOM 817 N ALA A 53 -9.850 -10.521 -12.464 1.00 0.00 N ATOM 818 CA ALA A 53 -10.717 -10.698 -11.302 1.00 0.00 C ATOM 819 C ALA A 53 -10.417 -11.992 -10.552 1.00 0.00 C ATOM 820 O ALA A 53 -10.662 -12.086 -9.346 1.00 0.00 O ATOM 821 CB ALA A 53 -12.177 -10.659 -11.732 1.00 0.00 C ATOM 0 H ALA A 53 -10.346 -10.521 -13.355 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.519 -9.876 -10.615 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.817 -10.792 -10.860 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.394 -9.698 -12.198 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.367 -11.460 -12.447 1.00 0.00 H new ATOM 827 N ASP A 54 -9.899 -12.986 -11.264 1.00 0.00 N ATOM 828 CA ASP A 54 -9.530 -14.258 -10.651 1.00 0.00 C ATOM 829 C ASP A 54 -8.171 -14.723 -11.156 1.00 0.00 C ATOM 830 O ASP A 54 -8.064 -15.357 -12.211 1.00 0.00 O ATOM 831 CB ASP A 54 -10.589 -15.337 -10.917 1.00 0.00 C ATOM 832 CG ASP A 54 -10.144 -16.717 -10.444 1.00 0.00 C ATOM 833 OD1 ASP A 54 -9.762 -16.855 -9.262 1.00 0.00 O ATOM 834 OD2 ASP A 54 -10.153 -17.667 -11.260 1.00 0.00 O ATOM 0 H ASP A 54 -9.725 -12.936 -12.268 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.472 -14.099 -9.574 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.516 -15.065 -10.413 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.806 -15.374 -11.985 1.00 0.00 H new ATOM 839 N THR A 55 -7.133 -14.373 -10.411 1.00 0.00 N ATOM 840 CA THR A 55 -5.790 -14.848 -10.691 1.00 0.00 C ATOM 841 C THR A 55 -5.625 -16.274 -10.155 1.00 0.00 C ATOM 842 O THR A 55 -5.956 -16.546 -8.997 1.00 0.00 O ATOM 843 CB THR A 55 -4.733 -13.913 -10.055 1.00 0.00 C ATOM 844 OG1 THR A 55 -4.977 -13.779 -8.646 1.00 0.00 O ATOM 845 CG2 THR A 55 -4.758 -12.532 -10.708 1.00 0.00 C ATOM 0 H THR A 55 -7.199 -13.756 -9.601 1.00 0.00 H new ATOM 0 HA THR A 55 -5.638 -14.849 -11.770 1.00 0.00 H new ATOM 0 HB THR A 55 -3.751 -14.357 -10.216 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.408 -13.069 -8.282 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.006 -11.896 -10.242 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.543 -12.629 -11.772 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.743 -12.085 -10.576 1.00 0.00 H new ATOM 853 N PRO A 56 -5.122 -17.209 -10.987 1.00 0.00 N ATOM 854 CA PRO A 56 -4.959 -18.616 -10.586 1.00 0.00 C ATOM 855 C PRO A 56 -3.846 -18.790 -9.551 1.00 0.00 C ATOM 856 O PRO A 56 -3.675 -19.867 -8.976 1.00 0.00 O ATOM 857 CB PRO A 56 -4.599 -19.317 -11.903 1.00 0.00 C ATOM 858 CG PRO A 56 -3.956 -18.254 -12.727 1.00 0.00 C ATOM 859 CD PRO A 56 -4.673 -16.977 -12.376 1.00 0.00 C ATOM 0 HA PRO A 56 -5.852 -19.020 -10.110 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.921 -20.154 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.485 -19.719 -12.394 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.891 -18.178 -12.507 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.047 -18.474 -13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.013 -16.113 -12.446 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.514 -16.791 -13.045 1.00 0.00 H new ATOM 867 N LEU A 57 -3.104 -17.715 -9.314 1.00 0.00 N ATOM 868 CA LEU A 57 -1.975 -17.726 -8.394 1.00 0.00 C ATOM 869 C LEU A 57 -1.964 -16.453 -7.546 1.00 0.00 C ATOM 870 O LEU A 57 -2.581 -15.450 -7.922 1.00 0.00 O ATOM 871 CB LEU A 57 -0.660 -17.883 -9.194 1.00 0.00 C ATOM 872 CG LEU A 57 -0.514 -16.990 -10.449 1.00 0.00 C ATOM 873 CD1 LEU A 57 -0.248 -15.530 -10.082 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.584 -17.524 -11.365 1.00 0.00 C ATOM 0 H LEU A 57 -3.269 -16.810 -9.755 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.069 -18.572 -7.713 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.175 -17.674 -8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.568 -18.925 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.463 -17.023 -10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.152 -14.938 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.077 -15.148 -9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.675 -15.462 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.671 -16.882 -12.242 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.532 -17.535 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.334 -18.537 -11.680 1.00 0.00 H new ATOM 886 N PRO A 58 -1.299 -16.483 -6.373 1.00 0.00 N ATOM 887 CA PRO A 58 -1.121 -15.290 -5.539 1.00 0.00 C ATOM 888 C PRO A 58 -0.232 -14.259 -6.237 1.00 0.00 C ATOM 889 O PRO A 58 0.799 -14.611 -6.819 1.00 0.00 O ATOM 890 CB PRO A 58 -0.451 -15.833 -4.266 1.00 0.00 C ATOM 891 CG PRO A 58 0.206 -17.102 -4.691 1.00 0.00 C ATOM 892 CD PRO A 58 -0.679 -17.679 -5.765 1.00 0.00 C ATOM 0 HA PRO A 58 -2.059 -14.774 -5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.277 -15.125 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.184 -16.012 -3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.211 -16.915 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.305 -17.792 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.105 -18.250 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.428 -18.353 -5.350 1.00 0.00 H new ATOM 900 N ILE A 59 -0.630 -12.995 -6.182 1.00 0.00 N ATOM 901 CA ILE A 59 0.070 -11.932 -6.898 1.00 0.00 C ATOM 902 C ILE A 59 0.226 -10.691 -6.018 1.00 0.00 C ATOM 903 O ILE A 59 -0.650 -10.375 -5.207 1.00 0.00 O ATOM 904 CB ILE A 59 -0.677 -11.571 -8.212 1.00 0.00 C ATOM 905 CG1 ILE A 59 0.014 -10.403 -8.944 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.142 -11.246 -7.929 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.665 -9.997 -10.238 1.00 0.00 C ATOM 0 H ILE A 59 -1.438 -12.678 -5.646 1.00 0.00 H new ATOM 0 HA ILE A 59 1.064 -12.298 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.641 -12.441 -8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.049 -9.541 -8.278 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.045 -10.682 -9.159 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.646 -10.996 -8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.626 -12.111 -7.476 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.201 -10.398 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.119 -9.170 -10.692 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.677 -10.844 -10.924 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.688 -9.685 -10.030 1.00 0.00 H new ATOM 919 N THR A 60 1.353 -10.008 -6.171 1.00 0.00 N ATOM 920 CA THR A 60 1.645 -8.800 -5.412 1.00 0.00 C ATOM 921 C THR A 60 1.315 -7.560 -6.247 1.00 0.00 C ATOM 922 O THR A 60 1.724 -7.458 -7.407 1.00 0.00 O ATOM 923 CB THR A 60 3.129 -8.774 -4.988 1.00 0.00 C ATOM 924 OG1 THR A 60 3.438 -9.958 -4.239 1.00 0.00 O ATOM 925 CG2 THR A 60 3.444 -7.544 -4.149 1.00 0.00 C ATOM 0 H THR A 60 2.089 -10.276 -6.824 1.00 0.00 H new ATOM 0 HA THR A 60 1.027 -8.797 -4.514 1.00 0.00 H new ATOM 0 HB THR A 60 3.738 -8.736 -5.891 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.381 -9.940 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.497 -7.556 -3.867 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.234 -6.645 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.827 -7.549 -3.250 1.00 0.00 H new ATOM 933 N VAL A 61 0.574 -6.624 -5.657 1.00 0.00 N ATOM 934 CA VAL A 61 0.085 -5.445 -6.374 1.00 0.00 C ATOM 935 C VAL A 61 0.165 -4.187 -5.509 1.00 0.00 C ATOM 936 O VAL A 61 0.627 -4.231 -4.365 1.00 0.00 O ATOM 937 CB VAL A 61 -1.378 -5.635 -6.848 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.476 -6.732 -7.907 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.291 -5.937 -5.657 1.00 0.00 C ATOM 0 H VAL A 61 0.297 -6.659 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 61 0.732 -5.323 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.711 -4.704 -7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.514 -6.843 -8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.864 -6.463 -8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.121 -7.674 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.315 -6.068 -6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.957 -6.850 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.252 -5.108 -4.950 1.00 0.00 H new ATOM 949 N GLU A 62 -0.252 -3.068 -6.098 1.00 0.00 N ATOM 950 CA GLU A 62 -0.317 -1.774 -5.422 1.00 0.00 C ATOM 951 C GLU A 62 -1.330 -1.800 -4.269 1.00 0.00 C ATOM 952 O GLU A 62 -2.417 -2.367 -4.400 1.00 0.00 O ATOM 953 CB GLU A 62 -0.714 -0.698 -6.448 1.00 0.00 C ATOM 954 CG GLU A 62 -0.848 0.710 -5.880 1.00 0.00 C ATOM 955 CD GLU A 62 0.447 1.228 -5.280 1.00 0.00 C ATOM 956 OE1 GLU A 62 1.385 1.538 -6.045 1.00 0.00 O ATOM 957 OE2 GLU A 62 0.540 1.309 -4.042 1.00 0.00 O ATOM 0 H GLU A 62 -0.558 -3.034 -7.070 1.00 0.00 H new ATOM 0 HA GLU A 62 0.661 -1.546 -4.998 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.030 -0.684 -7.244 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.663 -0.983 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.173 1.386 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.625 0.716 -5.116 1.00 0.00 H new ATOM 964 N ALA A 63 -0.966 -1.182 -3.143 1.00 0.00 N ATOM 965 CA ALA A 63 -1.856 -1.087 -1.984 1.00 0.00 C ATOM 966 C ALA A 63 -2.371 0.340 -1.804 1.00 0.00 C ATOM 967 O ALA A 63 -1.584 1.282 -1.686 1.00 0.00 O ATOM 968 CB ALA A 63 -1.132 -1.546 -0.722 1.00 0.00 C ATOM 0 H ALA A 63 -0.057 -0.738 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.711 -1.739 -2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.805 -1.470 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.813 -2.581 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.260 -0.915 -0.553 1.00 0.00 H new ATOM 974 N ARG A 64 -3.691 0.489 -1.790 1.00 0.00 N ATOM 975 CA ARG A 64 -4.337 1.771 -1.522 1.00 0.00 C ATOM 976 C ARG A 64 -5.273 1.594 -0.324 1.00 0.00 C ATOM 977 O ARG A 64 -6.353 1.017 -0.451 1.00 0.00 O ATOM 978 CB ARG A 64 -5.094 2.239 -2.785 1.00 0.00 C ATOM 979 CG ARG A 64 -5.649 3.672 -2.751 1.00 0.00 C ATOM 980 CD ARG A 64 -6.860 3.832 -1.831 1.00 0.00 C ATOM 981 NE ARG A 64 -7.661 5.013 -2.174 1.00 0.00 N ATOM 982 CZ ARG A 64 -8.198 5.855 -1.286 1.00 0.00 C ATOM 983 NH1 ARG A 64 -7.979 5.694 0.015 1.00 0.00 N ATOM 984 NH2 ARG A 64 -8.954 6.862 -1.705 1.00 0.00 N ATOM 0 H ARG A 64 -4.344 -0.275 -1.964 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.603 2.540 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.422 2.152 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.924 1.554 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.862 4.351 -2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.928 3.970 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.484 2.940 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.522 3.911 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.819 5.205 -3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.397 4.923 0.343 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.393 6.341 0.686 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.124 6.992 -2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.365 7.506 -1.030 1.00 0.00 H new ATOM 998 N LYS A 65 -4.829 2.053 0.844 1.00 0.00 N ATOM 999 CA LYS A 65 -5.585 1.881 2.086 1.00 0.00 C ATOM 1000 C LYS A 65 -6.899 2.655 2.029 1.00 0.00 C ATOM 1001 O LYS A 65 -6.963 3.730 1.435 1.00 0.00 O ATOM 1002 CB LYS A 65 -4.764 2.369 3.291 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.389 2.013 4.640 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.859 2.888 5.774 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.350 4.327 5.654 1.00 0.00 C ATOM 1006 NZ LYS A 65 -5.026 5.127 6.864 1.00 0.00 N ATOM 0 H LYS A 65 -3.945 2.549 0.958 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.799 0.818 2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.764 1.938 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.648 3.451 3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.472 2.122 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.186 0.966 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.176 2.474 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.769 2.874 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.897 4.793 4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.428 4.330 5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.377 6.098 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.479 4.697 7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.995 5.146 7.002 1.00 0.00 H new ATOM 1020 N LEU A 66 -7.941 2.103 2.645 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.227 2.784 2.744 1.00 0.00 C ATOM 1022 C LEU A 66 -9.509 3.152 4.202 1.00 0.00 C ATOM 1023 O LEU A 66 -10.160 2.351 4.912 1.00 0.00 O ATOM 1024 CB LEU A 66 -10.349 1.899 2.176 1.00 0.00 C ATOM 1025 CG LEU A 66 -10.224 1.559 0.684 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -11.385 0.676 0.231 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -10.151 2.831 -0.158 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.066 4.236 4.638 1.00 0.00 O ATOM 0 H LEU A 66 -7.919 1.183 3.084 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.190 3.700 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.377 0.968 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.303 2.401 2.339 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.298 1.003 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.276 0.447 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.382 -0.251 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.326 1.201 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.063 2.565 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.056 3.420 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.282 3.417 0.142 1.00 0.00 H new TER 1040 LEU A 66