USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 513 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 58 LYS NZ :NH3+ -130:sc= 2.08 (180deg=-4.32!) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -128:sc= 1.14 (180deg=0.841) USER MOD Set 2.1: A 7 MET CE :methyl 150:sc= -1.36 (180deg=-3.57!) USER MOD Set 2.2: A 57 MET CE :methyl -173:sc= -0.497 (180deg=-0.666) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -157:sc= 0.569 (180deg=-1.23!) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.052 K(o=0.52,f=-6.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.536 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 32 GLN : amide:sc= -0.079 X(o=-0.079,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 160:sc= -0.0888 USER MOD Single : A 40 ASN : amide:sc= -0.194 K(o=-0.19,f=-2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 51:sc= 0.913 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 50 HIS : no HE2:sc= 0.313 K(o=0.31,f=-1.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.616 K(o=0.62,f=-3.1) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.777 7.349 8.206 1.00 0.00 N ATOM 26 CA VAL A 3 -3.386 7.763 8.186 1.00 0.00 C ATOM 27 C VAL A 3 -2.716 7.271 6.906 1.00 0.00 C ATOM 28 O VAL A 3 -3.004 6.185 6.404 1.00 0.00 O ATOM 29 CB VAL A 3 -2.623 7.385 9.461 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.697 5.890 9.678 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.197 7.955 9.383 1.00 0.00 C ATOM 0 HA VAL A 3 -3.358 8.853 8.177 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.079 7.829 10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.153 5.627 10.585 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.739 5.588 9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.252 5.376 8.826 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.649 7.690 10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.686 7.540 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.243 9.040 9.292 1.00 0.00 H new ATOM 41 N VAL A 4 -1.839 8.108 6.364 1.00 0.00 N ATOM 42 CA VAL A 4 -1.085 7.859 5.163 1.00 0.00 C ATOM 43 C VAL A 4 0.125 6.972 5.484 1.00 0.00 C ATOM 44 O VAL A 4 0.820 7.211 6.469 1.00 0.00 O ATOM 45 CB VAL A 4 -0.689 9.216 4.569 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.204 9.000 3.356 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.933 10.004 4.135 1.00 0.00 C ATOM 0 H VAL A 4 -1.632 9.018 6.777 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.675 7.318 4.423 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.157 9.783 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.485 9.965 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.102 8.460 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.334 8.420 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.628 10.963 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.479 9.436 3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.576 10.173 4.999 1.00 0.00 H new ATOM 57 N LEU A 5 0.385 5.974 4.635 1.00 0.00 N ATOM 58 CA LEU A 5 1.509 5.052 4.708 1.00 0.00 C ATOM 59 C LEU A 5 2.212 5.056 3.357 1.00 0.00 C ATOM 60 O LEU A 5 1.538 5.047 2.326 1.00 0.00 O ATOM 61 CB LEU A 5 0.973 3.653 5.033 1.00 0.00 C ATOM 62 CG LEU A 5 1.923 2.459 4.813 1.00 0.00 C ATOM 63 CD1 LEU A 5 1.897 1.956 3.363 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.352 2.650 5.343 1.00 0.00 C ATOM 0 H LEU A 5 -0.220 5.782 3.836 1.00 0.00 H new ATOM 0 HA LEU A 5 2.215 5.348 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.661 3.647 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.079 3.487 4.432 1.00 0.00 H new ATOM 0 HG LEU A 5 1.513 1.670 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.582 1.115 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.887 1.636 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.204 2.760 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.939 1.754 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.812 3.506 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.321 2.826 6.418 1.00 0.00 H new ATOM 76 N LYS A 6 3.550 5.053 3.371 1.00 0.00 N ATOM 77 CA LYS A 6 4.394 5.016 2.184 1.00 0.00 C ATOM 78 C LYS A 6 5.108 3.658 2.096 1.00 0.00 C ATOM 79 O LYS A 6 5.920 3.341 2.968 1.00 0.00 O ATOM 80 CB LYS A 6 5.370 6.196 2.226 1.00 0.00 C ATOM 81 CG LYS A 6 5.951 6.470 0.828 1.00 0.00 C ATOM 82 CD LYS A 6 6.094 7.974 0.539 1.00 0.00 C ATOM 83 CE LYS A 6 7.560 8.429 0.506 1.00 0.00 C ATOM 84 NZ LYS A 6 7.710 9.886 0.695 1.00 0.00 N ATOM 0 H LYS A 6 4.086 5.077 4.238 1.00 0.00 H new ATOM 0 HA LYS A 6 3.793 5.117 1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.858 7.085 2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.178 5.982 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.927 5.992 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.307 6.017 0.074 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.624 8.203 -0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.558 8.540 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.116 7.907 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.003 8.143 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.719 10.138 0.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.204 10.388 -0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.313 10.159 1.617 1.00 0.00 H new ATOM 98 N MET A 7 4.800 2.857 1.070 1.00 0.00 N ATOM 99 CA MET A 7 5.413 1.551 0.829 1.00 0.00 C ATOM 100 C MET A 7 6.320 1.623 -0.397 1.00 0.00 C ATOM 101 O MET A 7 6.038 2.378 -1.323 1.00 0.00 O ATOM 102 CB MET A 7 4.342 0.457 0.642 1.00 0.00 C ATOM 103 CG MET A 7 3.473 0.704 -0.592 1.00 0.00 C ATOM 104 SD MET A 7 2.357 -0.614 -1.146 1.00 0.00 S ATOM 105 CE MET A 7 1.711 -1.185 0.429 1.00 0.00 C ATOM 0 H MET A 7 4.102 3.107 0.370 1.00 0.00 H new ATOM 0 HA MET A 7 6.010 1.286 1.702 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.829 -0.514 0.553 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.709 0.416 1.528 1.00 0.00 H new ATOM 0 HG2 MET A 7 2.868 1.590 -0.399 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.137 0.946 -1.422 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.699 -1.566 0.291 1.00 0.00 H new ATOM 0 HE2 MET A 7 2.348 -1.980 0.817 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.693 -0.356 1.137 1.00 0.00 H new ATOM 115 N LYS A 8 7.356 0.786 -0.429 1.00 0.00 N ATOM 116 CA LYS A 8 8.114 0.475 -1.628 1.00 0.00 C ATOM 117 C LYS A 8 7.449 -0.726 -2.300 1.00 0.00 C ATOM 118 O LYS A 8 7.123 -1.705 -1.625 1.00 0.00 O ATOM 119 CB LYS A 8 9.583 0.191 -1.264 1.00 0.00 C ATOM 120 CG LYS A 8 10.466 1.420 -1.526 1.00 0.00 C ATOM 121 CD LYS A 8 10.722 1.610 -3.032 1.00 0.00 C ATOM 122 CE LYS A 8 12.091 1.050 -3.444 1.00 0.00 C ATOM 123 NZ LYS A 8 12.259 0.976 -4.911 1.00 0.00 N ATOM 0 H LYS A 8 7.695 0.297 0.400 1.00 0.00 H new ATOM 0 HA LYS A 8 8.117 1.317 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.652 -0.093 -0.214 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.948 -0.654 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.985 2.310 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.416 1.306 -1.004 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.937 1.112 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.672 2.670 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.877 1.677 -3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.215 0.055 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.983 0.266 -5.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.356 0.706 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.556 1.904 -5.274 1.00 0.00 H new ATOM 137 N VAL A 9 7.245 -0.640 -3.618 1.00 0.00 N ATOM 138 CA VAL A 9 6.653 -1.692 -4.431 1.00 0.00 C ATOM 139 C VAL A 9 7.705 -2.099 -5.461 1.00 0.00 C ATOM 140 O VAL A 9 7.672 -1.653 -6.606 1.00 0.00 O ATOM 141 CB VAL A 9 5.341 -1.195 -5.069 1.00 0.00 C ATOM 142 CG1 VAL A 9 4.600 -2.357 -5.746 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.424 -0.586 -4.002 1.00 0.00 C ATOM 0 H VAL A 9 7.496 0.188 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 9 6.379 -2.564 -3.838 1.00 0.00 H new ATOM 0 HB VAL A 9 5.596 -0.438 -5.811 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.676 -1.989 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.231 -2.787 -6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.366 -3.121 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.502 -0.240 -4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.189 -1.340 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.928 0.256 -3.527 1.00 0.00 H new ATOM 153 N GLU A 10 8.681 -2.901 -5.032 1.00 0.00 N ATOM 154 CA GLU A 10 9.759 -3.313 -5.925 1.00 0.00 C ATOM 155 C GLU A 10 9.271 -4.341 -6.960 1.00 0.00 C ATOM 156 O GLU A 10 8.172 -4.890 -6.865 1.00 0.00 O ATOM 157 CB GLU A 10 10.959 -3.819 -5.113 1.00 0.00 C ATOM 158 CG GLU A 10 11.567 -2.722 -4.220 1.00 0.00 C ATOM 159 CD GLU A 10 13.012 -2.441 -4.611 1.00 0.00 C ATOM 160 OE1 GLU A 10 13.852 -3.326 -4.363 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.245 -1.338 -5.153 1.00 0.00 O ATOM 0 H GLU A 10 8.745 -3.273 -4.084 1.00 0.00 H new ATOM 0 HA GLU A 10 10.092 -2.444 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.646 -4.658 -4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.723 -4.194 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.978 -1.809 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.522 -3.031 -3.176 1.00 0.00 H new ATOM 168 N GLY A 11 10.103 -4.596 -7.975 1.00 0.00 N ATOM 169 CA GLY A 11 9.808 -5.527 -9.055 1.00 0.00 C ATOM 170 C GLY A 11 8.782 -4.938 -10.024 1.00 0.00 C ATOM 171 O GLY A 11 9.145 -4.469 -11.101 1.00 0.00 O ATOM 0 H GLY A 11 11.016 -4.150 -8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.725 -5.767 -9.593 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.428 -6.461 -8.641 1.00 0.00 H new ATOM 256 N THR A 18 0.113 -1.096 -11.153 1.00 0.00 N ATOM 257 CA THR A 18 -0.282 -0.003 -10.284 1.00 0.00 C ATOM 258 C THR A 18 -1.794 -0.064 -10.174 1.00 0.00 C ATOM 259 O THR A 18 -2.296 -0.581 -9.187 1.00 0.00 O ATOM 260 CB THR A 18 0.184 1.327 -10.883 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.102 1.331 -12.272 1.00 0.00 O ATOM 262 CG2 THR A 18 1.684 1.504 -10.674 1.00 0.00 C ATOM 0 HA THR A 18 0.170 -0.084 -9.296 1.00 0.00 H new ATOM 0 HB THR A 18 -0.338 2.147 -10.390 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.094 0.411 -12.610 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.002 2.454 -11.105 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.906 1.497 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.218 0.688 -11.161 1.00 0.00 H new ATOM 270 N SER A 19 -2.525 0.390 -11.195 1.00 0.00 N ATOM 271 CA SER A 19 -3.982 0.470 -11.152 1.00 0.00 C ATOM 272 C SER A 19 -4.663 -0.802 -10.676 1.00 0.00 C ATOM 273 O SER A 19 -5.602 -0.744 -9.882 1.00 0.00 O ATOM 274 CB SER A 19 -4.542 0.946 -12.493 1.00 0.00 C ATOM 275 OG SER A 19 -4.057 2.245 -12.763 1.00 0.00 O ATOM 0 H SER A 19 -2.120 0.712 -12.074 1.00 0.00 H new ATOM 0 HA SER A 19 -4.217 1.215 -10.392 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.246 0.262 -13.288 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.632 0.950 -12.465 1.00 0.00 H new ATOM 0 HG SER A 19 -4.412 2.554 -13.623 1.00 0.00 H new ATOM 281 N THR A 20 -4.166 -1.947 -11.124 1.00 0.00 N ATOM 282 CA THR A 20 -4.559 -3.226 -10.582 1.00 0.00 C ATOM 283 C THR A 20 -4.496 -3.236 -9.051 1.00 0.00 C ATOM 284 O THR A 20 -5.487 -3.517 -8.374 1.00 0.00 O ATOM 285 CB THR A 20 -3.627 -4.272 -11.195 1.00 0.00 C ATOM 286 OG1 THR A 20 -3.839 -4.314 -12.590 1.00 0.00 O ATOM 287 CG2 THR A 20 -3.898 -5.627 -10.562 1.00 0.00 C ATOM 0 H THR A 20 -3.478 -2.008 -11.875 1.00 0.00 H new ATOM 0 HA THR A 20 -5.597 -3.446 -10.833 1.00 0.00 H new ATOM 0 HB THR A 20 -2.586 -4.009 -11.005 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.244 -4.981 -12.991 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.234 -6.372 -10.999 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.721 -5.569 -9.488 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.934 -5.913 -10.744 1.00 0.00 H new ATOM 295 N ILE A 21 -3.310 -2.961 -8.511 1.00 0.00 N ATOM 296 CA ILE A 21 -3.066 -2.902 -7.090 1.00 0.00 C ATOM 297 C ILE A 21 -3.965 -1.829 -6.475 1.00 0.00 C ATOM 298 O ILE A 21 -4.603 -2.109 -5.471 1.00 0.00 O ATOM 299 CB ILE A 21 -1.551 -2.715 -6.855 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.814 -4.061 -6.992 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.190 -2.132 -5.492 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.399 -4.363 -8.426 1.00 0.00 C ATOM 0 H ILE A 21 -2.479 -2.770 -9.071 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.331 -3.828 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.240 -2.000 -7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.072 -4.051 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.458 -4.862 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.107 -2.035 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.651 -1.150 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.553 -2.793 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.116 -5.323 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.284 -4.402 -9.060 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.269 -3.580 -8.784 1.00 0.00 H new ATOM 314 N GLU A 22 -4.077 -0.639 -7.072 1.00 0.00 N ATOM 315 CA GLU A 22 -4.912 0.430 -6.551 1.00 0.00 C ATOM 316 C GLU A 22 -6.342 -0.059 -6.345 1.00 0.00 C ATOM 317 O GLU A 22 -6.864 -0.094 -5.237 1.00 0.00 O ATOM 318 CB GLU A 22 -4.896 1.658 -7.476 1.00 0.00 C ATOM 319 CG GLU A 22 -3.498 2.278 -7.596 1.00 0.00 C ATOM 320 CD GLU A 22 -3.520 3.743 -8.008 1.00 0.00 C ATOM 321 OE1 GLU A 22 -4.600 4.223 -8.415 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.440 4.359 -7.884 1.00 0.00 O ATOM 0 H GLU A 22 -3.587 -0.396 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.500 0.731 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.249 1.369 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.591 2.406 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.984 2.185 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.919 1.712 -8.325 1.00 0.00 H new ATOM 329 N GLY A 23 -6.968 -0.447 -7.443 1.00 0.00 N ATOM 330 CA GLY A 23 -8.306 -1.012 -7.493 1.00 0.00 C ATOM 331 C GLY A 23 -8.489 -2.128 -6.463 1.00 0.00 C ATOM 332 O GLY A 23 -9.423 -2.083 -5.664 1.00 0.00 O ATOM 0 H GLY A 23 -6.538 -0.374 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.040 -0.226 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.498 -1.404 -8.492 1.00 0.00 H new ATOM 336 N LYS A 24 -7.610 -3.136 -6.478 1.00 0.00 N ATOM 337 CA LYS A 24 -7.720 -4.265 -5.563 1.00 0.00 C ATOM 338 C LYS A 24 -7.626 -3.788 -4.111 1.00 0.00 C ATOM 339 O LYS A 24 -8.517 -4.044 -3.308 1.00 0.00 O ATOM 340 CB LYS A 24 -6.646 -5.318 -5.876 1.00 0.00 C ATOM 341 CG LYS A 24 -6.862 -6.593 -5.043 1.00 0.00 C ATOM 342 CD LYS A 24 -5.562 -7.402 -4.932 1.00 0.00 C ATOM 343 CE LYS A 24 -5.702 -8.585 -3.961 1.00 0.00 C ATOM 344 NZ LYS A 24 -6.632 -9.621 -4.457 1.00 0.00 N ATOM 0 H LYS A 24 -6.816 -3.188 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.695 -4.733 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.672 -5.564 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.658 -4.907 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.215 -6.326 -4.047 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.638 -7.205 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.281 -7.773 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.756 -6.750 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.722 -9.032 -3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.053 -8.219 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.690 -10.395 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.576 -9.205 -4.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.286 -9.993 -5.364 1.00 0.00 H new ATOM 358 N ILE A 25 -6.530 -3.127 -3.749 1.00 0.00 N ATOM 359 CA ILE A 25 -6.275 -2.654 -2.404 1.00 0.00 C ATOM 360 C ILE A 25 -7.403 -1.729 -1.944 1.00 0.00 C ATOM 361 O ILE A 25 -7.856 -1.818 -0.809 1.00 0.00 O ATOM 362 CB ILE A 25 -4.908 -1.964 -2.430 1.00 0.00 C ATOM 363 CG1 ILE A 25 -3.693 -2.902 -2.490 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.695 -1.115 -1.199 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.875 -4.255 -3.155 1.00 0.00 C ATOM 0 H ILE A 25 -5.780 -2.903 -4.403 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.252 -3.470 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.954 -1.384 -3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.891 -2.378 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.352 -3.074 -1.469 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.715 -0.640 -1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.468 -0.348 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.748 -1.743 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.935 -4.806 -3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.644 -4.819 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.176 -4.113 -4.193 1.00 0.00 H new ATOM 377 N GLY A 26 -7.905 -0.890 -2.846 1.00 0.00 N ATOM 378 CA GLY A 26 -9.058 -0.029 -2.635 1.00 0.00 C ATOM 379 C GLY A 26 -10.329 -0.784 -2.234 1.00 0.00 C ATOM 380 O GLY A 26 -11.287 -0.154 -1.792 1.00 0.00 O ATOM 0 H GLY A 26 -7.503 -0.790 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.819 0.699 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.253 0.532 -3.549 1.00 0.00 H new ATOM 384 N LYS A 27 -10.366 -2.114 -2.387 1.00 0.00 N ATOM 385 CA LYS A 27 -11.475 -2.946 -1.961 1.00 0.00 C ATOM 386 C LYS A 27 -11.209 -3.531 -0.572 1.00 0.00 C ATOM 387 O LYS A 27 -12.146 -4.028 0.052 1.00 0.00 O ATOM 388 CB LYS A 27 -11.749 -4.027 -3.022 1.00 0.00 C ATOM 389 CG LYS A 27 -12.935 -3.632 -3.906 1.00 0.00 C ATOM 390 CD LYS A 27 -14.253 -3.998 -3.211 1.00 0.00 C ATOM 391 CE LYS A 27 -15.454 -3.492 -4.020 1.00 0.00 C ATOM 392 NZ LYS A 27 -16.736 -3.873 -3.392 1.00 0.00 N ATOM 0 H LYS A 27 -9.608 -2.642 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.377 -2.340 -1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.862 -4.171 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.955 -4.979 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.907 -2.562 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.868 -4.141 -4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.319 -5.080 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.274 -3.565 -2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.401 -2.407 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.409 -3.898 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.525 -3.514 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.797 -4.909 -3.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.790 -3.465 -2.437 1.00 0.00 H new ATOM 406 N LEU A 28 -9.967 -3.502 -0.070 1.00 0.00 N ATOM 407 CA LEU A 28 -9.656 -4.050 1.221 1.00 0.00 C ATOM 408 C LEU A 28 -10.281 -3.238 2.351 1.00 0.00 C ATOM 409 O LEU A 28 -10.274 -2.006 2.355 1.00 0.00 O ATOM 410 CB LEU A 28 -8.147 -4.103 1.436 1.00 0.00 C ATOM 411 CG LEU A 28 -7.351 -5.136 0.627 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.804 -6.148 1.621 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.134 -5.912 -0.425 1.00 0.00 C ATOM 0 H LEU A 28 -9.168 -3.097 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.072 -5.057 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.741 -3.116 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.965 -4.292 2.494 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.597 -4.573 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.228 -6.906 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.160 -5.641 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.631 -6.624 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.469 -6.611 -0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.942 -6.464 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.553 -5.217 -1.153 1.00 0.00 H new ATOM 425 N GLN A 29 -10.755 -3.962 3.361 1.00 0.00 N ATOM 426 CA GLN A 29 -11.263 -3.398 4.594 1.00 0.00 C ATOM 427 C GLN A 29 -10.180 -2.568 5.297 1.00 0.00 C ATOM 428 O GLN A 29 -9.165 -3.106 5.733 1.00 0.00 O ATOM 429 CB GLN A 29 -11.855 -4.520 5.455 1.00 0.00 C ATOM 430 CG GLN A 29 -10.793 -5.533 5.895 1.00 0.00 C ATOM 431 CD GLN A 29 -11.272 -6.979 5.819 1.00 0.00 C ATOM 432 OE1 GLN A 29 -12.429 -7.280 6.090 1.00 0.00 O ATOM 433 NE2 GLN A 29 -10.390 -7.891 5.416 1.00 0.00 N ATOM 0 H GLN A 29 -10.795 -4.981 3.338 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.073 -2.697 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.330 -4.088 6.336 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.635 -5.034 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.908 -5.417 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.491 -5.311 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.433 -7.613 5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.671 -8.867 5.326 1.00 0.00 H new ATOM 442 N GLY A 30 -10.393 -1.253 5.398 1.00 0.00 N ATOM 443 CA GLY A 30 -9.526 -0.352 6.147 1.00 0.00 C ATOM 444 C GLY A 30 -8.886 0.703 5.264 1.00 0.00 C ATOM 445 O GLY A 30 -8.474 1.742 5.772 1.00 0.00 O ATOM 0 H GLY A 30 -11.183 -0.783 4.955 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.105 0.137 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.745 -0.931 6.641 1.00 0.00 H new ATOM 449 N VAL A 31 -8.779 0.446 3.960 1.00 0.00 N ATOM 450 CA VAL A 31 -8.173 1.375 3.039 1.00 0.00 C ATOM 451 C VAL A 31 -9.215 2.404 2.602 1.00 0.00 C ATOM 452 O VAL A 31 -10.368 2.067 2.339 1.00 0.00 O ATOM 453 CB VAL A 31 -7.595 0.557 1.876 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.406 1.396 0.615 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.256 -0.060 2.296 1.00 0.00 C ATOM 0 H VAL A 31 -9.113 -0.414 3.525 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.359 1.940 3.493 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.312 -0.229 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.995 0.772 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.368 1.799 0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.720 2.217 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.847 -0.640 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.558 0.733 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.410 -0.712 3.156 1.00 0.00 H new ATOM 465 N GLN A 32 -8.780 3.661 2.518 1.00 0.00 N ATOM 466 CA GLN A 32 -9.565 4.796 2.065 1.00 0.00 C ATOM 467 C GLN A 32 -9.134 5.208 0.658 1.00 0.00 C ATOM 468 O GLN A 32 -9.982 5.462 -0.195 1.00 0.00 O ATOM 469 CB GLN A 32 -9.430 5.942 3.069 1.00 0.00 C ATOM 470 CG GLN A 32 -10.629 6.076 4.007 1.00 0.00 C ATOM 471 CD GLN A 32 -11.774 6.862 3.382 1.00 0.00 C ATOM 472 OE1 GLN A 32 -11.873 8.070 3.585 1.00 0.00 O ATOM 473 NE2 GLN A 32 -12.636 6.204 2.613 1.00 0.00 N ATOM 0 H GLN A 32 -7.828 3.921 2.777 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.618 4.521 2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.529 5.789 3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -9.298 6.877 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.983 5.083 4.283 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.313 6.569 4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.525 5.201 2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.408 6.702 2.171 1.00 0.00 H new ATOM 482 N ARG A 33 -7.823 5.304 0.402 1.00 0.00 N ATOM 483 CA ARG A 33 -7.313 5.690 -0.909 1.00 0.00 C ATOM 484 C ARG A 33 -5.950 5.037 -1.123 1.00 0.00 C ATOM 485 O ARG A 33 -5.296 4.645 -0.153 1.00 0.00 O ATOM 486 CB ARG A 33 -7.199 7.223 -0.987 1.00 0.00 C ATOM 487 CG ARG A 33 -7.562 7.817 -2.353 1.00 0.00 C ATOM 488 CD ARG A 33 -9.081 7.876 -2.585 1.00 0.00 C ATOM 489 NE ARG A 33 -9.447 9.028 -3.430 1.00 0.00 N ATOM 490 CZ ARG A 33 -9.126 9.188 -4.724 1.00 0.00 C ATOM 491 NH1 ARG A 33 -8.582 8.175 -5.406 1.00 0.00 N ATOM 492 NH2 ARG A 33 -9.336 10.368 -5.322 1.00 0.00 N ATOM 0 H ARG A 33 -7.097 5.117 1.094 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.995 5.355 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.848 7.662 -0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.178 7.512 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.147 8.822 -2.431 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.101 7.220 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.415 6.953 -3.059 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.595 7.947 -1.627 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.993 9.770 -2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.411 7.282 -4.943 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.338 8.295 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.739 11.143 -4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.093 10.492 -6.305 1.00 0.00 H new ATOM 506 N ILE A 34 -5.513 4.967 -2.383 1.00 0.00 N ATOM 507 CA ILE A 34 -4.223 4.435 -2.782 1.00 0.00 C ATOM 508 C ILE A 34 -3.717 5.197 -4.004 1.00 0.00 C ATOM 509 O ILE A 34 -4.519 5.579 -4.854 1.00 0.00 O ATOM 510 CB ILE A 34 -4.312 2.918 -3.012 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.939 2.413 -3.485 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.435 2.516 -3.981 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.709 0.933 -3.195 1.00 0.00 C ATOM 0 H ILE A 34 -6.071 5.291 -3.173 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.495 4.578 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.576 2.442 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.846 2.585 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.157 2.997 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.443 1.432 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.395 2.844 -3.582 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.265 2.986 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.722 0.641 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.771 0.759 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.470 0.340 -3.703 1.00 0.00 H new ATOM 525 N LYS A 35 -2.409 5.474 -4.033 1.00 0.00 N ATOM 526 CA LYS A 35 -1.679 6.069 -5.141 1.00 0.00 C ATOM 527 C LYS A 35 -0.377 5.269 -5.299 1.00 0.00 C ATOM 528 O LYS A 35 0.512 5.431 -4.464 1.00 0.00 O ATOM 529 CB LYS A 35 -1.349 7.538 -4.813 1.00 0.00 C ATOM 530 CG LYS A 35 -2.545 8.504 -4.790 1.00 0.00 C ATOM 531 CD LYS A 35 -3.444 8.369 -3.546 1.00 0.00 C ATOM 532 CE LYS A 35 -3.847 9.726 -2.950 1.00 0.00 C ATOM 533 NZ LYS A 35 -2.771 10.315 -2.127 1.00 0.00 N ATOM 0 H LYS A 35 -1.804 5.275 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.268 6.044 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.860 7.572 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.627 7.901 -5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.172 9.527 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.150 8.336 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.343 7.813 -3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.922 7.786 -2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.103 10.413 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.742 9.602 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.087 11.229 -1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.543 9.672 -1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.924 10.459 -2.714 1.00 0.00 H new ATOM 547 N VAL A 36 -0.246 4.406 -6.311 1.00 0.00 N ATOM 548 CA VAL A 36 0.958 3.603 -6.557 1.00 0.00 C ATOM 549 C VAL A 36 1.711 4.193 -7.755 1.00 0.00 C ATOM 550 O VAL A 36 1.182 4.208 -8.864 1.00 0.00 O ATOM 551 CB VAL A 36 0.592 2.116 -6.766 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.833 1.224 -6.943 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.228 1.552 -5.593 1.00 0.00 C ATOM 0 H VAL A 36 -0.985 4.242 -6.994 1.00 0.00 H new ATOM 0 HA VAL A 36 1.615 3.638 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.003 2.098 -7.679 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.520 0.190 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.399 1.556 -7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.461 1.293 -6.055 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.462 0.505 -5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.350 1.633 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.154 2.118 -5.491 1.00 0.00 H new ATOM 563 N SER A 37 2.939 4.686 -7.542 1.00 0.00 N ATOM 564 CA SER A 37 3.765 5.212 -8.624 1.00 0.00 C ATOM 565 C SER A 37 4.444 4.064 -9.376 1.00 0.00 C ATOM 566 O SER A 37 4.301 2.896 -9.023 1.00 0.00 O ATOM 567 CB SER A 37 4.800 6.201 -8.067 1.00 0.00 C ATOM 568 OG SER A 37 5.545 6.844 -9.091 1.00 0.00 O ATOM 0 H SER A 37 3.379 4.729 -6.623 1.00 0.00 H new ATOM 0 HA SER A 37 3.131 5.749 -9.329 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.291 6.954 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.483 5.671 -7.403 1.00 0.00 H new ATOM 0 HG SER A 37 5.944 7.666 -8.738 1.00 0.00 H new ATOM 574 N LEU A 38 5.222 4.428 -10.394 1.00 0.00 N ATOM 575 CA LEU A 38 6.068 3.533 -11.166 1.00 0.00 C ATOM 576 C LEU A 38 7.479 4.088 -11.156 1.00 0.00 C ATOM 577 O LEU A 38 8.376 3.443 -10.615 1.00 0.00 O ATOM 578 CB LEU A 38 5.492 3.333 -12.576 1.00 0.00 C ATOM 579 CG LEU A 38 4.605 2.088 -12.558 1.00 0.00 C ATOM 580 CD1 LEU A 38 3.420 2.304 -13.492 1.00 0.00 C ATOM 581 CD2 LEU A 38 5.441 0.854 -12.928 1.00 0.00 C ATOM 0 H LEU A 38 5.279 5.395 -10.713 1.00 0.00 H new ATOM 0 HA LEU A 38 6.099 2.538 -10.722 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.915 4.207 -12.878 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.296 3.216 -13.302 1.00 0.00 H new ATOM 0 HG LEU A 38 4.205 1.912 -11.560 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.784 1.419 -13.483 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.845 3.167 -13.157 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.782 2.480 -14.505 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.807 -0.032 -12.915 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.861 0.985 -13.925 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.249 0.733 -12.207 1.00 0.00 H new ATOM 593 N ASP A 39 7.660 5.308 -11.664 1.00 0.00 N ATOM 594 CA ASP A 39 8.921 6.035 -11.660 1.00 0.00 C ATOM 595 C ASP A 39 9.593 5.905 -10.306 1.00 0.00 C ATOM 596 O ASP A 39 10.748 5.496 -10.200 1.00 0.00 O ATOM 597 CB ASP A 39 8.671 7.530 -11.909 1.00 0.00 C ATOM 598 CG ASP A 39 7.785 7.786 -13.120 1.00 0.00 C ATOM 599 OD1 ASP A 39 6.628 7.307 -13.064 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.275 8.438 -14.065 1.00 0.00 O ATOM 0 H ASP A 39 6.903 5.832 -12.104 1.00 0.00 H new ATOM 0 HA ASP A 39 9.552 5.617 -12.444 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.207 7.968 -11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.627 8.035 -12.050 1.00 0.00 H new ATOM 605 N ASN A 40 8.840 6.274 -9.265 1.00 0.00 N ATOM 606 CA ASN A 40 9.395 6.374 -7.931 1.00 0.00 C ATOM 607 C ASN A 40 9.484 4.995 -7.268 1.00 0.00 C ATOM 608 O ASN A 40 10.099 4.858 -6.213 1.00 0.00 O ATOM 609 CB ASN A 40 8.573 7.352 -7.070 1.00 0.00 C ATOM 610 CG ASN A 40 9.436 8.302 -6.233 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.612 8.521 -6.504 1.00 0.00 O ATOM 612 ND2 ASN A 40 8.845 8.924 -5.220 1.00 0.00 N ATOM 0 H ASN A 40 7.849 6.506 -9.330 1.00 0.00 H new ATOM 0 HA ASN A 40 10.408 6.768 -8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.925 7.940 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.924 6.782 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.370 9.593 -4.656 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.866 8.733 -5.005 1.00 0.00 H new ATOM 619 N GLN A 41 8.830 3.976 -7.852 1.00 0.00 N ATOM 620 CA GLN A 41 8.779 2.593 -7.365 1.00 0.00 C ATOM 621 C GLN A 41 8.124 2.475 -5.989 1.00 0.00 C ATOM 622 O GLN A 41 8.271 1.471 -5.289 1.00 0.00 O ATOM 623 CB GLN A 41 10.178 1.986 -7.355 1.00 0.00 C ATOM 624 CG GLN A 41 10.903 2.354 -8.641 1.00 0.00 C ATOM 625 CD GLN A 41 12.264 1.683 -8.737 1.00 0.00 C ATOM 626 OE1 GLN A 41 12.817 1.258 -7.724 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.813 1.595 -9.944 1.00 0.00 N ATOM 0 H GLN A 41 8.300 4.103 -8.714 1.00 0.00 H new ATOM 0 HA GLN A 41 8.150 2.031 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.737 2.350 -6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.114 0.902 -7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.294 2.063 -9.497 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.027 3.436 -8.691 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.318 1.961 -10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.729 1.161 -10.057 1.00 0.00 H new ATOM 636 N GLU A 42 7.429 3.541 -5.611 1.00 0.00 N ATOM 637 CA GLU A 42 6.876 3.763 -4.285 1.00 0.00 C ATOM 638 C GLU A 42 5.371 4.026 -4.391 1.00 0.00 C ATOM 639 O GLU A 42 4.877 4.429 -5.447 1.00 0.00 O ATOM 640 CB GLU A 42 7.650 4.910 -3.604 1.00 0.00 C ATOM 641 CG GLU A 42 7.783 4.695 -2.089 1.00 0.00 C ATOM 642 CD GLU A 42 8.704 5.697 -1.407 1.00 0.00 C ATOM 643 OE1 GLU A 42 8.985 6.744 -2.026 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.068 5.428 -0.239 1.00 0.00 O ATOM 0 H GLU A 42 7.228 4.308 -6.252 1.00 0.00 H new ATOM 0 HA GLU A 42 6.992 2.878 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.643 4.991 -4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.139 5.854 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.794 4.756 -1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.157 3.688 -1.905 1.00 0.00 H new ATOM 651 N ALA A 43 4.631 3.781 -3.308 1.00 0.00 N ATOM 652 CA ALA A 43 3.189 3.970 -3.260 1.00 0.00 C ATOM 653 C ALA A 43 2.786 4.578 -1.927 1.00 0.00 C ATOM 654 O ALA A 43 3.466 4.366 -0.924 1.00 0.00 O ATOM 655 CB ALA A 43 2.482 2.637 -3.463 1.00 0.00 C ATOM 0 H ALA A 43 5.026 3.442 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 43 2.895 4.650 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.403 2.788 -3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.757 2.223 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.779 1.944 -2.676 1.00 0.00 H new ATOM 661 N THR A 44 1.672 5.308 -1.927 1.00 0.00 N ATOM 662 CA THR A 44 1.149 6.072 -0.827 1.00 0.00 C ATOM 663 C THR A 44 -0.304 5.640 -0.669 1.00 0.00 C ATOM 664 O THR A 44 -1.110 5.872 -1.573 1.00 0.00 O ATOM 665 CB THR A 44 1.276 7.555 -1.197 1.00 0.00 C ATOM 666 OG1 THR A 44 2.643 7.915 -1.263 1.00 0.00 O ATOM 667 CG2 THR A 44 0.582 8.441 -0.170 1.00 0.00 C ATOM 0 H THR A 44 1.082 5.377 -2.756 1.00 0.00 H new ATOM 0 HA THR A 44 1.677 5.914 0.113 1.00 0.00 H new ATOM 0 HB THR A 44 0.799 7.701 -2.166 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.721 8.862 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.689 9.486 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.476 8.184 -0.124 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.036 8.287 0.809 1.00 0.00 H new ATOM 675 N ILE A 45 -0.631 4.991 0.448 1.00 0.00 N ATOM 676 CA ILE A 45 -1.967 4.498 0.751 1.00 0.00 C ATOM 677 C ILE A 45 -2.461 5.209 1.999 1.00 0.00 C ATOM 678 O ILE A 45 -1.644 5.755 2.734 1.00 0.00 O ATOM 679 CB ILE A 45 -1.939 2.973 0.935 1.00 0.00 C ATOM 680 CG1 ILE A 45 -1.144 2.356 -0.221 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.349 2.362 0.937 1.00 0.00 C ATOM 682 CD1 ILE A 45 0.293 2.044 0.157 1.00 0.00 C ATOM 0 H ILE A 45 0.046 4.790 1.184 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.652 4.706 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.478 2.760 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.637 1.440 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.152 3.041 -1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.278 1.282 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.930 2.790 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.841 2.579 -0.011 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.808 1.609 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.798 2.962 0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.306 1.336 0.986 1.00 0.00 H new ATOM 694 N VAL A 46 -3.775 5.220 2.238 1.00 0.00 N ATOM 695 CA VAL A 46 -4.364 5.820 3.423 1.00 0.00 C ATOM 696 C VAL A 46 -5.296 4.805 4.088 1.00 0.00 C ATOM 697 O VAL A 46 -6.210 4.305 3.433 1.00 0.00 O ATOM 698 CB VAL A 46 -4.934 7.206 3.104 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.110 7.125 2.173 1.00 0.00 C ATOM 700 CG2 VAL A 46 -5.303 8.005 4.353 1.00 0.00 C ATOM 0 H VAL A 46 -4.460 4.807 1.605 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.618 6.042 4.186 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.129 7.744 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.485 8.129 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.802 6.658 1.237 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.898 6.529 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.701 8.976 4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.057 7.462 4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.415 8.148 4.969 1.00 0.00 H new ATOM 710 N TYR A 47 -5.006 4.429 5.340 1.00 0.00 N ATOM 711 CA TYR A 47 -5.739 3.423 6.112 1.00 0.00 C ATOM 712 C TYR A 47 -5.499 3.628 7.615 1.00 0.00 C ATOM 713 O TYR A 47 -4.750 4.525 7.988 1.00 0.00 O ATOM 714 CB TYR A 47 -5.325 2.012 5.666 1.00 0.00 C ATOM 715 CG TYR A 47 -3.877 1.655 5.914 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.467 1.204 7.180 1.00 0.00 C ATOM 717 CD2 TYR A 47 -2.945 1.727 4.864 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.142 0.804 7.388 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.642 1.243 5.054 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.261 0.721 6.298 1.00 0.00 C ATOM 721 OH TYR A 47 -0.035 0.152 6.430 1.00 0.00 O ATOM 0 H TYR A 47 -4.227 4.832 5.860 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.807 3.536 5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.954 1.287 6.182 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.530 1.911 4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.176 1.166 7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.231 2.154 3.914 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.799 0.560 8.383 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.932 1.273 4.241 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.127 -0.731 6.846 1.00 0.00 H new ATOM 731 N GLN A 48 -6.120 2.823 8.487 1.00 0.00 N ATOM 732 CA GLN A 48 -5.820 2.769 9.912 1.00 0.00 C ATOM 733 C GLN A 48 -5.678 1.343 10.454 1.00 0.00 C ATOM 734 O GLN A 48 -6.369 0.442 9.975 1.00 0.00 O ATOM 735 CB GLN A 48 -6.946 3.475 10.677 1.00 0.00 C ATOM 736 CG GLN A 48 -6.583 4.931 10.949 1.00 0.00 C ATOM 737 CD GLN A 48 -7.396 5.514 12.106 1.00 0.00 C ATOM 738 OE1 GLN A 48 -7.244 5.097 13.248 1.00 0.00 O ATOM 739 NE2 GLN A 48 -8.271 6.484 11.848 1.00 0.00 N ATOM 0 H GLN A 48 -6.861 2.179 8.209 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.858 3.261 10.054 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.870 3.427 10.100 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.131 2.959 11.619 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.520 5.003 11.179 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.755 5.522 10.050 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.389 6.823 10.893 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.823 6.888 12.605 1.00 0.00 H new ATOM 748 N PRO A 49 -4.841 1.149 11.496 1.00 0.00 N ATOM 749 CA PRO A 49 -4.772 -0.087 12.253 1.00 0.00 C ATOM 750 C PRO A 49 -6.076 -0.270 13.034 1.00 0.00 C ATOM 751 O PRO A 49 -6.178 0.042 14.219 1.00 0.00 O ATOM 752 CB PRO A 49 -3.551 0.039 13.168 1.00 0.00 C ATOM 753 CG PRO A 49 -3.457 1.543 13.413 1.00 0.00 C ATOM 754 CD PRO A 49 -3.977 2.152 12.110 1.00 0.00 C ATOM 0 HA PRO A 49 -4.662 -0.967 11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.685 -0.513 14.098 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.650 -0.349 12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.061 1.849 14.268 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.432 1.852 13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.529 3.071 12.305 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.152 2.411 11.447 1.00 0.00 H new ATOM 762 N HIS A 50 -7.095 -0.759 12.332 1.00 0.00 N ATOM 763 CA HIS A 50 -8.375 -1.139 12.899 1.00 0.00 C ATOM 764 C HIS A 50 -8.928 -2.296 12.082 1.00 0.00 C ATOM 765 O HIS A 50 -9.124 -3.392 12.599 1.00 0.00 O ATOM 766 CB HIS A 50 -9.329 0.067 12.914 1.00 0.00 C ATOM 767 CG HIS A 50 -9.602 0.555 14.310 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.668 1.085 15.171 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.778 0.422 14.996 1.00 0.00 C ATOM 770 CE1 HIS A 50 -9.289 1.305 16.343 1.00 0.00 C ATOM 771 NE2 HIS A 50 -10.574 0.916 16.287 1.00 0.00 N ATOM 0 H HIS A 50 -7.046 -0.904 11.324 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.260 -1.461 13.934 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.898 0.877 12.325 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.269 -0.209 12.437 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.688 1.275 14.960 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.698 0.010 14.609 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.818 1.737 17.214 1.00 0.00 H new ATOM 779 N LEU A 51 -9.158 -2.047 10.793 1.00 0.00 N ATOM 780 CA LEU A 51 -9.651 -3.066 9.881 1.00 0.00 C ATOM 781 C LEU A 51 -8.494 -3.862 9.270 1.00 0.00 C ATOM 782 O LEU A 51 -8.715 -4.980 8.808 1.00 0.00 O ATOM 783 CB LEU A 51 -10.530 -2.411 8.812 1.00 0.00 C ATOM 784 CG LEU A 51 -11.886 -1.944 9.366 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.505 -0.911 8.418 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.865 -3.114 9.535 1.00 0.00 C ATOM 0 H LEU A 51 -9.007 -1.137 10.358 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.262 -3.781 10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.002 -1.558 8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.698 -3.119 8.001 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.706 -1.502 10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.466 -0.583 8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.838 -0.054 8.328 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.652 -1.361 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.811 -2.743 9.929 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.035 -3.589 8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.445 -3.843 10.228 1.00 0.00 H new ATOM 798 N ILE A 52 -7.270 -3.313 9.263 1.00 0.00 N ATOM 799 CA ILE A 52 -6.095 -3.957 8.713 1.00 0.00 C ATOM 800 C ILE A 52 -5.006 -4.042 9.776 1.00 0.00 C ATOM 801 O ILE A 52 -4.887 -3.149 10.610 1.00 0.00 O ATOM 802 CB ILE A 52 -5.667 -3.206 7.452 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.666 -3.986 6.604 1.00 0.00 C ATOM 804 CG2 ILE A 52 -5.053 -1.859 7.798 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.235 -5.318 6.138 1.00 0.00 C ATOM 0 H ILE A 52 -7.078 -2.389 9.651 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.309 -4.984 8.418 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.579 -3.070 6.871 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.382 -3.389 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.759 -4.161 7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.758 -1.347 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.784 -1.253 8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.176 -2.010 8.428 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.491 -5.841 5.538 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.495 -5.926 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.127 -5.142 5.537 1.00 0.00 H new ATOM 817 N SER A 53 -4.167 -5.080 9.723 1.00 0.00 N ATOM 818 CA SER A 53 -3.124 -5.322 10.714 1.00 0.00 C ATOM 819 C SER A 53 -1.871 -4.465 10.522 1.00 0.00 C ATOM 820 O SER A 53 -0.784 -4.857 10.940 1.00 0.00 O ATOM 821 CB SER A 53 -2.771 -6.799 10.714 1.00 0.00 C ATOM 822 OG SER A 53 -3.901 -7.572 11.059 1.00 0.00 O ATOM 0 H SER A 53 -4.196 -5.781 8.982 1.00 0.00 H new ATOM 0 HA SER A 53 -3.529 -5.025 11.682 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.407 -7.093 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.963 -6.987 11.421 1.00 0.00 H new ATOM 0 HG SER A 53 -3.661 -8.522 11.054 1.00 0.00 H new ATOM 828 N VAL A 54 -2.019 -3.319 9.863 1.00 0.00 N ATOM 829 CA VAL A 54 -0.991 -2.367 9.481 1.00 0.00 C ATOM 830 C VAL A 54 -0.113 -2.958 8.381 1.00 0.00 C ATOM 831 O VAL A 54 -0.044 -2.415 7.280 1.00 0.00 O ATOM 832 CB VAL A 54 -0.278 -1.776 10.719 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.233 -2.021 10.757 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.521 -0.264 10.768 1.00 0.00 C ATOM 0 H VAL A 54 -2.942 -3.010 9.559 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.431 -1.482 9.021 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.703 -2.291 11.581 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.652 -1.573 11.658 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.428 -3.093 10.761 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.697 -1.571 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.020 0.157 11.640 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.125 0.198 9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.591 -0.070 10.836 1.00 0.00 H new ATOM 844 N GLU A 55 0.498 -4.099 8.664 1.00 0.00 N ATOM 845 CA GLU A 55 1.423 -4.770 7.781 1.00 0.00 C ATOM 846 C GLU A 55 0.662 -5.510 6.688 1.00 0.00 C ATOM 847 O GLU A 55 1.092 -5.485 5.533 1.00 0.00 O ATOM 848 CB GLU A 55 2.315 -5.702 8.607 1.00 0.00 C ATOM 849 CG GLU A 55 3.787 -5.627 8.183 1.00 0.00 C ATOM 850 CD GLU A 55 4.520 -4.376 8.661 1.00 0.00 C ATOM 851 OE1 GLU A 55 3.847 -3.346 8.877 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.760 -4.481 8.771 1.00 0.00 O ATOM 0 H GLU A 55 0.355 -4.594 9.544 1.00 0.00 H new ATOM 0 HA GLU A 55 2.066 -4.045 7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.230 -5.442 9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.961 -6.727 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.307 -6.506 8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.842 -5.671 7.095 1.00 0.00 H new ATOM 859 N GLU A 56 -0.462 -6.160 7.042 1.00 0.00 N ATOM 860 CA GLU A 56 -1.205 -7.012 6.119 1.00 0.00 C ATOM 861 C GLU A 56 -1.439 -6.322 4.781 1.00 0.00 C ATOM 862 O GLU A 56 -1.163 -6.887 3.726 1.00 0.00 O ATOM 863 CB GLU A 56 -2.534 -7.430 6.753 1.00 0.00 C ATOM 864 CG GLU A 56 -2.360 -8.664 7.641 1.00 0.00 C ATOM 865 CD GLU A 56 -1.934 -9.886 6.835 1.00 0.00 C ATOM 866 OE1 GLU A 56 -2.731 -10.290 5.964 1.00 0.00 O ATOM 867 OE2 GLU A 56 -0.804 -10.359 7.082 1.00 0.00 O ATOM 0 H GLU A 56 -0.873 -6.104 7.974 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.607 -7.902 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.933 -6.606 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.263 -7.642 5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.615 -8.457 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.297 -8.877 8.156 1.00 0.00 H new ATOM 874 N MET A 57 -1.913 -5.077 4.842 1.00 0.00 N ATOM 875 CA MET A 57 -2.093 -4.211 3.704 1.00 0.00 C ATOM 876 C MET A 57 -0.969 -4.365 2.676 1.00 0.00 C ATOM 877 O MET A 57 -1.227 -4.651 1.510 1.00 0.00 O ATOM 878 CB MET A 57 -2.192 -2.779 4.243 1.00 0.00 C ATOM 879 CG MET A 57 -3.348 -2.067 3.559 1.00 0.00 C ATOM 880 SD MET A 57 -3.123 -1.741 1.795 1.00 0.00 S ATOM 881 CE MET A 57 -1.610 -0.761 1.786 1.00 0.00 C ATOM 0 H MET A 57 -2.188 -4.640 5.722 1.00 0.00 H new ATOM 0 HA MET A 57 -3.003 -4.477 3.166 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.345 -2.793 5.322 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.260 -2.244 4.061 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.249 -2.666 3.688 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.520 -1.118 4.067 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.424 -0.388 0.779 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.717 0.080 2.471 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.772 -1.382 2.103 1.00 0.00 H new ATOM 891 N LYS A 58 0.274 -4.169 3.112 1.00 0.00 N ATOM 892 CA LYS A 58 1.461 -4.311 2.288 1.00 0.00 C ATOM 893 C LYS A 58 1.817 -5.774 2.023 1.00 0.00 C ATOM 894 O LYS A 58 2.148 -6.139 0.897 1.00 0.00 O ATOM 895 CB LYS A 58 2.588 -3.509 2.942 1.00 0.00 C ATOM 896 CG LYS A 58 3.920 -3.707 2.208 1.00 0.00 C ATOM 897 CD LYS A 58 4.823 -4.677 2.986 1.00 0.00 C ATOM 898 CE LYS A 58 5.401 -5.749 2.064 1.00 0.00 C ATOM 899 NZ LYS A 58 6.701 -6.248 2.545 1.00 0.00 N ATOM 0 H LYS A 58 0.483 -3.900 4.074 1.00 0.00 H new ATOM 0 HA LYS A 58 1.277 -3.905 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.328 -2.451 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.696 -3.814 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.736 -4.096 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.423 -2.747 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.634 -4.124 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.251 -5.150 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.699 -6.580 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.519 -5.339 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.391 -6.225 1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.037 -5.647 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.594 -7.225 2.884 1.00 0.00 H new ATOM 913 N LYS A 59 1.787 -6.626 3.041 1.00 0.00 N ATOM 914 CA LYS A 59 2.018 -8.052 2.883 1.00 0.00 C ATOM 915 C LYS A 59 1.144 -8.674 1.789 1.00 0.00 C ATOM 916 O LYS A 59 1.577 -9.616 1.123 1.00 0.00 O ATOM 917 CB LYS A 59 1.811 -8.719 4.240 1.00 0.00 C ATOM 918 CG LYS A 59 3.121 -9.125 4.908 1.00 0.00 C ATOM 919 CD LYS A 59 4.230 -8.055 5.010 1.00 0.00 C ATOM 920 CE LYS A 59 5.291 -8.628 5.978 1.00 0.00 C ATOM 921 NZ LYS A 59 6.657 -8.629 5.421 1.00 0.00 N ATOM 0 H LYS A 59 1.601 -6.343 4.003 1.00 0.00 H new ATOM 0 HA LYS A 59 3.042 -8.216 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.271 -8.036 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.185 -9.602 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.892 -9.469 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.526 -9.978 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.665 -7.850 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.829 -7.113 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.283 -8.045 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.015 -9.648 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.069 -9.580 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.623 -8.362 4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.244 -7.946 5.941 1.00 0.00 H new ATOM 935 N GLN A 60 -0.048 -8.127 1.540 1.00 0.00 N ATOM 936 CA GLN A 60 -0.909 -8.631 0.490 1.00 0.00 C ATOM 937 C GLN A 60 -0.203 -8.466 -0.854 1.00 0.00 C ATOM 938 O GLN A 60 -0.362 -9.298 -1.738 1.00 0.00 O ATOM 939 CB GLN A 60 -2.302 -7.982 0.554 1.00 0.00 C ATOM 940 CG GLN A 60 -2.489 -6.897 -0.504 1.00 0.00 C ATOM 941 CD GLN A 60 -3.802 -6.156 -0.343 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.808 -6.539 -0.934 1.00 0.00 O ATOM 943 NE2 GLN A 60 -3.789 -5.080 0.437 1.00 0.00 N ATOM 0 H GLN A 60 -0.431 -7.335 2.056 1.00 0.00 H new ATOM 0 HA GLN A 60 -1.092 -9.697 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.064 -8.750 0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.453 -7.551 1.543 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.664 -6.187 -0.443 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.448 -7.348 -1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.928 -4.801 0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.640 -4.533 0.565 1.00 0.00 H new ATOM 952 N ILE A 61 0.581 -7.394 -1.006 1.00 0.00 N ATOM 953 CA ILE A 61 1.345 -7.151 -2.212 1.00 0.00 C ATOM 954 C ILE A 61 2.485 -8.166 -2.317 1.00 0.00 C ATOM 955 O ILE A 61 2.663 -8.736 -3.390 1.00 0.00 O ATOM 956 CB ILE A 61 1.792 -5.689 -2.333 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.599 -4.776 -2.684 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.832 -5.521 -3.451 1.00 0.00 C ATOM 959 CD1 ILE A 61 0.135 -4.049 -1.436 1.00 0.00 C ATOM 0 H ILE A 61 0.697 -6.676 -0.291 1.00 0.00 H new ATOM 0 HA ILE A 61 0.702 -7.305 -3.078 1.00 0.00 H new ATOM 0 HB ILE A 61 2.219 -5.412 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.890 -4.057 -3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.217 -5.369 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.132 -4.475 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.705 -6.136 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.398 -5.833 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.708 -3.404 -1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.173 -4.776 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.952 -3.444 -1.042 1.00 0.00 H new ATOM 971 N GLU A 62 3.216 -8.438 -1.222 1.00 0.00 N ATOM 972 CA GLU A 62 4.231 -9.495 -1.230 1.00 0.00 C ATOM 973 C GLU A 62 3.583 -10.769 -1.778 1.00 0.00 C ATOM 974 O GLU A 62 4.096 -11.405 -2.698 1.00 0.00 O ATOM 975 CB GLU A 62 4.794 -9.781 0.176 1.00 0.00 C ATOM 976 CG GLU A 62 6.069 -8.993 0.487 1.00 0.00 C ATOM 977 CD GLU A 62 6.713 -9.494 1.777 1.00 0.00 C ATOM 978 OE1 GLU A 62 7.447 -10.495 1.717 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.487 -8.838 2.822 1.00 0.00 O ATOM 0 H GLU A 62 3.122 -7.946 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 62 5.064 -9.166 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.035 -9.540 0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.002 -10.847 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.774 -9.091 -0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.833 -7.933 0.580 1.00 0.00 H new ATOM 986 N ALA A 63 2.416 -11.101 -1.220 1.00 0.00 N ATOM 987 CA ALA A 63 1.641 -12.277 -1.581 1.00 0.00 C ATOM 988 C ALA A 63 1.276 -12.344 -3.072 1.00 0.00 C ATOM 989 O ALA A 63 1.036 -13.437 -3.578 1.00 0.00 O ATOM 990 CB ALA A 63 0.397 -12.344 -0.693 1.00 0.00 C ATOM 0 H ALA A 63 1.979 -10.542 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 63 2.269 -13.152 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.191 -13.223 -0.956 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.699 -12.409 0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.205 -11.447 -0.841 1.00 0.00 H new ATOM 996 N MET A 64 1.237 -11.213 -3.793 1.00 0.00 N ATOM 997 CA MET A 64 1.008 -11.223 -5.236 1.00 0.00 C ATOM 998 C MET A 64 2.191 -11.878 -5.956 1.00 0.00 C ATOM 999 O MET A 64 2.012 -12.457 -7.026 1.00 0.00 O ATOM 1000 CB MET A 64 0.799 -9.800 -5.782 1.00 0.00 C ATOM 1001 CG MET A 64 -0.341 -9.033 -5.102 1.00 0.00 C ATOM 1002 SD MET A 64 -2.039 -9.569 -5.437 1.00 0.00 S ATOM 1003 CE MET A 64 -2.312 -8.746 -7.020 1.00 0.00 C ATOM 0 H MET A 64 1.362 -10.282 -3.395 1.00 0.00 H new ATOM 0 HA MET A 64 0.102 -11.799 -5.422 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.724 -9.236 -5.663 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.597 -9.858 -6.852 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.181 -9.081 -4.025 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.258 -7.985 -5.390 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.317 -8.969 -7.377 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.202 -7.669 -6.894 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.582 -9.103 -7.746 1.00 0.00 H new ATOM 1013 N GLY A 65 3.400 -11.752 -5.396 1.00 0.00 N ATOM 1014 CA GLY A 65 4.630 -12.272 -5.974 1.00 0.00 C ATOM 1015 C GLY A 65 5.755 -11.241 -5.895 1.00 0.00 C ATOM 1016 O GLY A 65 6.913 -11.597 -5.692 1.00 0.00 O ATOM 0 H GLY A 65 3.546 -11.273 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.927 -13.180 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.458 -12.548 -7.014 1.00 0.00 H new ATOM 1020 N PHE A 66 5.428 -9.957 -6.077 1.00 0.00 N ATOM 1021 CA PHE A 66 6.430 -8.902 -6.112 1.00 0.00 C ATOM 1022 C PHE A 66 6.839 -8.547 -4.685 1.00 0.00 C ATOM 1023 O PHE A 66 5.966 -8.178 -3.901 1.00 0.00 O ATOM 1024 CB PHE A 66 5.874 -7.655 -6.810 1.00 0.00 C ATOM 1025 CG PHE A 66 5.572 -7.856 -8.280 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.610 -8.214 -9.160 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.258 -7.721 -8.767 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.329 -8.477 -10.509 1.00 0.00 C ATOM 1029 CE2 PHE A 66 3.981 -7.970 -10.122 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.016 -8.354 -10.993 1.00 0.00 C ATOM 0 H PHE A 66 4.470 -9.629 -6.202 1.00 0.00 H new ATOM 0 HA PHE A 66 7.297 -9.257 -6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.962 -7.343 -6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.592 -6.842 -6.705 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.624 -8.286 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.462 -7.426 -8.099 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.124 -8.775 -11.177 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.973 -7.866 -10.495 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.802 -8.554 -12.032 1.00 0.00 H new ATOM 1040 N PRO A 67 8.129 -8.615 -4.325 1.00 0.00 N ATOM 1041 CA PRO A 67 8.565 -8.238 -2.996 1.00 0.00 C ATOM 1042 C PRO A 67 8.317 -6.744 -2.808 1.00 0.00 C ATOM 1043 O PRO A 67 8.865 -5.927 -3.543 1.00 0.00 O ATOM 1044 CB PRO A 67 10.050 -8.605 -2.931 1.00 0.00 C ATOM 1045 CG PRO A 67 10.507 -8.508 -4.387 1.00 0.00 C ATOM 1046 CD PRO A 67 9.266 -8.932 -5.177 1.00 0.00 C ATOM 0 HA PRO A 67 8.027 -8.747 -2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.605 -7.920 -2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.198 -9.608 -2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.820 -7.496 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.354 -9.164 -4.587 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.205 -8.399 -6.126 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.295 -9.996 -5.411 1.00 0.00 H new ATOM 1054 N ALA A 68 7.474 -6.380 -1.841 1.00 0.00 N ATOM 1055 CA ALA A 68 7.209 -4.993 -1.508 1.00 0.00 C ATOM 1056 C ALA A 68 7.750 -4.738 -0.106 1.00 0.00 C ATOM 1057 O ALA A 68 8.333 -5.628 0.518 1.00 0.00 O ATOM 1058 CB ALA A 68 5.705 -4.753 -1.649 1.00 0.00 C ATOM 0 H ALA A 68 6.957 -7.047 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 68 7.706 -4.288 -2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.478 -3.716 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.398 -4.959 -2.674 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.166 -5.413 -0.969 1.00 0.00 H new ATOM 1064 N PHE A 69 7.518 -3.554 0.451 1.00 0.00 N ATOM 1065 CA PHE A 69 8.080 -3.156 1.734 1.00 0.00 C ATOM 1066 C PHE A 69 7.331 -1.963 2.309 1.00 0.00 C ATOM 1067 O PHE A 69 6.916 -1.104 1.543 1.00 0.00 O ATOM 1068 CB PHE A 69 9.572 -2.840 1.582 1.00 0.00 C ATOM 1069 CG PHE A 69 10.362 -3.133 2.834 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.878 -4.425 3.037 1.00 0.00 C ATOM 1071 CD2 PHE A 69 10.544 -2.141 3.814 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.611 -4.714 4.199 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.258 -2.437 4.987 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.801 -3.721 5.176 1.00 0.00 C ATOM 0 H PHE A 69 6.931 -2.840 0.021 1.00 0.00 H new ATOM 0 HA PHE A 69 7.970 -3.986 2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 69 9.980 -3.422 0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.691 -1.789 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.710 -5.195 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.135 -1.153 3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 69 12.029 -5.699 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.390 -1.678 5.744 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.363 -3.944 6.071 1.00 0.00 H new ATOM 1084 N VAL A 70 7.151 -1.901 3.631 1.00 0.00 N ATOM 1085 CA VAL A 70 6.497 -0.798 4.311 1.00 0.00 C ATOM 1086 C VAL A 70 7.562 -0.078 5.130 1.00 0.00 C ATOM 1087 O VAL A 70 8.371 -0.718 5.795 1.00 0.00 O ATOM 1088 CB VAL A 70 5.313 -1.341 5.142 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.337 -0.940 6.619 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.009 -0.856 4.512 1.00 0.00 C ATOM 0 H VAL A 70 7.465 -2.636 4.265 1.00 0.00 H new ATOM 0 HA VAL A 70 6.062 -0.073 3.623 1.00 0.00 H new ATOM 0 HB VAL A 70 5.397 -2.428 5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.470 -1.364 7.125 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.249 -1.316 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.310 0.147 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.164 -1.232 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.990 0.234 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.941 -1.223 3.488 1.00 0.00 H new