USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 780 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: C 13 ASN : amide:sc= 1.19 K(o=1.2,f=-0.2) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 11 SER OG : rot 180:sc= 0.508 USER MOD Set 2.2: C 21 THR OG1 : rot -76:sc= 0.554 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0.383 USER MOD Set 3.2: A 21 THR OG1 : rot -72:sc= 0.414 USER MOD Single : A 1 MET CE :methyl -125:sc= -0.018 (180deg=-0.275) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.00728 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.025 F(o=-1.4!,f=-0.025) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.22 F(o=-1.1,f=-0.22) USER MOD Single : A 29 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.33) USER MOD Single : A 35 ASN : amide:sc=-0.00604 K(o=-0.006,f=-1.3) USER MOD Single : A 38 LYS NZ :NH3+ -166:sc= -0.0125 (180deg=-0.199) USER MOD Single : A 43 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-3.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl -128:sc=-0.00019 (180deg=-0.252) USER MOD Single : C 1 MET N :NH3+ 133:sc= 0.0617 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 148:sc= 0.819 USER MOD Single : C 7 LYS NZ :NH3+ -160:sc= -0.0234 (180deg=-0.379) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.15) USER MOD Single : C 29 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.86) USER MOD Single : C 35 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.4) USER MOD Single : C 38 LYS NZ :NH3+ -166:sc= -0.014 (180deg=-0.194) USER MOD Single : C 43 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-4.7!) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.874 -5.293 -11.502 1.00 0.00 N ATOM 2 CA MET A 1 -5.851 -4.397 -10.325 1.00 0.00 C ATOM 3 C MET A 1 -6.949 -4.776 -9.345 1.00 0.00 C ATOM 4 O MET A 1 -8.081 -5.020 -9.756 1.00 0.00 O ATOM 5 CB MET A 1 -6.024 -2.937 -10.760 1.00 0.00 C ATOM 6 CG MET A 1 -5.707 -1.948 -9.639 1.00 0.00 C ATOM 7 SD MET A 1 -3.939 -1.664 -9.378 1.00 0.00 S ATOM 8 CE MET A 1 -3.679 -0.592 -10.812 1.00 0.00 C ATOM 0 H1 MET A 1 -5.675 -4.742 -12.361 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.151 -6.032 -11.390 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.812 -5.735 -11.583 1.00 0.00 H new ATOM 0 HA MET A 1 -4.885 -4.507 -9.832 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.374 -2.736 -11.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.049 -2.781 -11.098 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.187 -0.996 -9.863 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.145 -2.315 -8.711 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.879 -0.999 -11.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.597 -0.537 -11.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.404 0.407 -10.474 1.00 0.00 H new ATOM 20 N LEU A 2 -6.614 -4.816 -8.055 1.00 0.00 N ATOM 21 CA LEU A 2 -7.579 -4.988 -6.982 1.00 0.00 C ATOM 22 C LEU A 2 -7.474 -3.716 -6.152 1.00 0.00 C ATOM 23 O LEU A 2 -6.377 -3.334 -5.751 1.00 0.00 O ATOM 24 CB LEU A 2 -7.251 -6.266 -6.204 1.00 0.00 C ATOM 25 CG LEU A 2 -8.199 -6.565 -5.031 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.856 -5.723 -3.804 1.00 0.00 C ATOM 27 CD2 LEU A 2 -9.663 -6.333 -5.399 1.00 0.00 C ATOM 0 H LEU A 2 -5.652 -4.728 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 2 -8.606 -5.118 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.271 -7.110 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.233 -6.191 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.061 -7.620 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -8.547 -5.961 -2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.836 -5.941 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.940 -4.665 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -10.294 -6.557 -4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -9.804 -5.292 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.937 -6.984 -6.230 1.00 0.00 H new ATOM 39 N ILE A 3 -8.603 -3.059 -5.894 1.00 0.00 N ATOM 40 CA ILE A 3 -8.587 -1.717 -5.340 1.00 0.00 C ATOM 41 C ILE A 3 -9.365 -1.658 -4.044 1.00 0.00 C ATOM 42 O ILE A 3 -10.363 -2.354 -3.868 1.00 0.00 O ATOM 43 CB ILE A 3 -9.170 -0.760 -6.379 1.00 0.00 C ATOM 44 CG1 ILE A 3 -8.325 -0.883 -7.648 1.00 0.00 C ATOM 45 CG2 ILE A 3 -9.179 0.689 -5.884 1.00 0.00 C ATOM 46 CD1 ILE A 3 -9.002 -0.221 -8.833 1.00 0.00 C ATOM 0 H ILE A 3 -9.535 -3.437 -6.061 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.563 -1.424 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.209 -1.028 -6.573 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.350 -0.425 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.150 -1.936 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.602 1.334 -6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.783 0.761 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.159 1.005 -5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -8.374 -0.328 -9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.966 -0.696 -9.013 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.153 0.837 -8.621 1.00 0.00 H new ATOM 58 N LEU A 4 -8.873 -0.805 -3.151 1.00 0.00 N ATOM 59 CA LEU A 4 -9.391 -0.640 -1.813 1.00 0.00 C ATOM 60 C LEU A 4 -9.316 0.835 -1.445 1.00 0.00 C ATOM 61 O LEU A 4 -8.512 1.582 -2.003 1.00 0.00 O ATOM 62 CB LEU A 4 -8.556 -1.486 -0.844 1.00 0.00 C ATOM 63 CG LEU A 4 -8.561 -2.976 -1.218 1.00 0.00 C ATOM 64 CD1 LEU A 4 -7.573 -3.726 -0.333 1.00 0.00 C ATOM 65 CD2 LEU A 4 -9.943 -3.601 -1.032 1.00 0.00 C ATOM 0 H LEU A 4 -8.080 -0.196 -3.352 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.428 -0.970 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.530 -1.119 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.945 -1.366 0.167 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.280 -3.052 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.577 -4.783 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.572 -3.319 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.862 -3.613 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.906 -4.655 -1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.247 -3.508 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.664 -3.086 -1.667 1.00 0.00 H new ATOM 77 N THR A 5 -10.154 1.253 -0.497 1.00 0.00 N ATOM 78 CA THR A 5 -10.153 2.625 -0.019 1.00 0.00 C ATOM 79 C THR A 5 -9.920 2.592 1.484 1.00 0.00 C ATOM 80 O THR A 5 -10.416 1.705 2.179 1.00 0.00 O ATOM 81 CB THR A 5 -11.467 3.315 -0.398 1.00 0.00 C ATOM 82 OG1 THR A 5 -11.636 3.249 -1.797 1.00 0.00 O ATOM 83 CG2 THR A 5 -11.469 4.793 -0.015 1.00 0.00 C ATOM 0 H THR A 5 -10.844 0.653 -0.046 1.00 0.00 H new ATOM 0 HA THR A 5 -9.357 3.207 -0.483 1.00 0.00 H new ATOM 0 HB THR A 5 -12.267 2.804 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.476 3.687 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.420 5.242 -0.302 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.333 4.890 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.656 5.304 -0.531 1.00 0.00 H new ATOM 91 N ARG A 6 -9.160 3.568 1.979 1.00 0.00 N ATOM 92 CA ARG A 6 -8.674 3.583 3.345 1.00 0.00 C ATOM 93 C ARG A 6 -8.741 5.011 3.880 1.00 0.00 C ATOM 94 O ARG A 6 -9.137 5.919 3.155 1.00 0.00 O ATOM 95 CB ARG A 6 -7.223 3.073 3.315 1.00 0.00 C ATOM 96 CG ARG A 6 -6.741 2.421 4.613 1.00 0.00 C ATOM 97 CD ARG A 6 -7.451 1.107 4.935 1.00 0.00 C ATOM 98 NE ARG A 6 -8.748 1.310 5.591 1.00 0.00 N ATOM 99 CZ ARG A 6 -9.502 0.329 6.086 1.00 0.00 C ATOM 100 NH1 ARG A 6 -9.096 -0.938 6.050 1.00 0.00 N ATOM 101 NH2 ARG A 6 -10.681 0.617 6.627 1.00 0.00 N ATOM 0 H ARG A 6 -8.865 4.376 1.431 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.276 2.950 3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.124 2.351 2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.564 3.909 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.669 2.238 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.891 3.118 5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.599 0.543 4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.813 0.503 5.580 1.00 0.00 H new ATOM 0 HE ARG A 6 -9.095 2.265 5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.193 -1.173 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.688 -1.674 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.004 1.584 6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.263 -0.129 7.008 1.00 0.00 H new ATOM 115 N LYS A 7 -8.356 5.222 5.137 1.00 0.00 N ATOM 116 CA LYS A 7 -8.234 6.555 5.706 1.00 0.00 C ATOM 117 C LYS A 7 -7.088 6.535 6.707 1.00 0.00 C ATOM 118 O LYS A 7 -6.765 5.480 7.251 1.00 0.00 O ATOM 119 CB LYS A 7 -9.575 6.960 6.326 1.00 0.00 C ATOM 120 CG LYS A 7 -9.650 8.427 6.737 1.00 0.00 C ATOM 121 CD LYS A 7 -11.028 8.701 7.342 1.00 0.00 C ATOM 122 CE LYS A 7 -11.181 10.183 7.674 1.00 0.00 C ATOM 123 NZ LYS A 7 -12.517 10.461 8.237 1.00 0.00 N ATOM 0 H LYS A 7 -8.121 4.471 5.786 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.002 7.305 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.372 6.752 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.762 6.338 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.868 8.656 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.483 9.070 5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.806 8.397 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.161 8.104 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.412 10.481 8.387 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.030 10.779 6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.598 11.475 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.247 10.196 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.649 9.908 9.108 1.00 0.00 H new ATOM 137 N VAL A 8 -6.471 7.691 6.952 1.00 0.00 N ATOM 138 CA VAL A 8 -5.268 7.723 7.769 1.00 0.00 C ATOM 139 C VAL A 8 -5.472 7.037 9.116 1.00 0.00 C ATOM 140 O VAL A 8 -6.393 7.362 9.862 1.00 0.00 O ATOM 141 CB VAL A 8 -4.711 9.140 7.906 1.00 0.00 C ATOM 142 CG1 VAL A 8 -4.496 9.692 6.500 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.595 10.115 8.671 1.00 0.00 C ATOM 0 H VAL A 8 -6.780 8.598 6.603 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.508 7.143 7.245 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.793 9.054 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.098 10.705 6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.790 9.058 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.446 9.709 5.966 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.110 11.090 8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.556 10.208 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.752 9.745 9.684 1.00 0.00 H new ATOM 153 N GLY A 9 -4.591 6.079 9.405 1.00 0.00 N ATOM 154 CA GLY A 9 -4.615 5.336 10.660 1.00 0.00 C ATOM 155 C GLY A 9 -5.173 3.916 10.517 1.00 0.00 C ATOM 156 O GLY A 9 -5.338 3.230 11.523 1.00 0.00 O ATOM 0 H GLY A 9 -3.841 5.798 8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.603 5.282 11.061 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.216 5.883 11.386 1.00 0.00 H new ATOM 160 N GLU A 10 -5.468 3.469 9.292 1.00 0.00 N ATOM 161 CA GLU A 10 -6.015 2.138 9.042 1.00 0.00 C ATOM 162 C GLU A 10 -5.028 1.279 8.243 1.00 0.00 C ATOM 163 O GLU A 10 -3.959 1.756 7.862 1.00 0.00 O ATOM 164 CB GLU A 10 -7.352 2.265 8.313 1.00 0.00 C ATOM 165 CG GLU A 10 -8.372 3.080 9.110 1.00 0.00 C ATOM 166 CD GLU A 10 -9.705 3.169 8.363 1.00 0.00 C ATOM 167 OE1 GLU A 10 -9.670 3.401 7.132 1.00 0.00 O ATOM 168 OE2 GLU A 10 -10.751 3.005 9.029 1.00 0.00 O ATOM 0 H GLU A 10 -5.333 4.023 8.447 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.180 1.637 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.191 2.736 7.343 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.755 1.270 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.528 2.620 10.086 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.983 4.082 9.288 1.00 0.00 H new ATOM 175 N SER A 11 -5.374 0.009 7.985 1.00 0.00 N ATOM 176 CA SER A 11 -4.446 -0.949 7.382 1.00 0.00 C ATOM 177 C SER A 11 -5.087 -1.831 6.310 1.00 0.00 C ATOM 178 O SER A 11 -6.304 -1.849 6.134 1.00 0.00 O ATOM 179 CB SER A 11 -3.870 -1.838 8.489 1.00 0.00 C ATOM 180 OG SER A 11 -3.176 -1.060 9.442 1.00 0.00 O ATOM 0 H SER A 11 -6.296 -0.377 8.187 1.00 0.00 H new ATOM 0 HA SER A 11 -3.667 -0.371 6.884 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.675 -2.387 8.977 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.197 -2.577 8.055 1.00 0.00 H new ATOM 0 HG SER A 11 -2.816 -1.644 10.142 1.00 0.00 H new ATOM 186 N ILE A 12 -4.228 -2.565 5.595 1.00 0.00 N ATOM 187 CA ILE A 12 -4.566 -3.482 4.509 1.00 0.00 C ATOM 188 C ILE A 12 -3.609 -4.676 4.585 1.00 0.00 C ATOM 189 O ILE A 12 -2.553 -4.578 5.206 1.00 0.00 O ATOM 190 CB ILE A 12 -4.453 -2.745 3.165 1.00 0.00 C ATOM 191 CG1 ILE A 12 -5.569 -1.694 3.082 1.00 0.00 C ATOM 192 CG2 ILE A 12 -4.534 -3.701 1.966 1.00 0.00 C ATOM 193 CD1 ILE A 12 -5.614 -0.995 1.726 1.00 0.00 C ATOM 0 H ILE A 12 -3.224 -2.531 5.771 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.590 -3.843 4.599 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.475 -2.266 3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.529 -2.173 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.423 -0.951 3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.449 -3.132 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.721 -4.425 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.489 -4.226 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.421 -0.262 1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.665 -0.491 1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.789 -1.732 0.942 1.00 0.00 H new ATOM 205 N ASN A 13 -3.965 -5.805 3.965 1.00 0.00 N ATOM 206 CA ASN A 13 -3.168 -7.024 4.067 1.00 0.00 C ATOM 207 C ASN A 13 -2.874 -7.628 2.697 1.00 0.00 C ATOM 208 O ASN A 13 -3.620 -7.424 1.738 1.00 0.00 O ATOM 209 CB ASN A 13 -3.899 -8.056 4.933 1.00 0.00 C ATOM 210 CG ASN A 13 -3.783 -7.742 6.416 1.00 0.00 C ATOM 211 OD1 ASN A 13 -4.348 -6.612 6.831 1.00 0.00 O flip ATOM 212 ND2 ASN A 13 -3.194 -8.504 7.177 1.00 0.00 N flip ATOM 0 H ASN A 13 -4.801 -5.897 3.388 1.00 0.00 H new ATOM 0 HA ASN A 13 -2.217 -6.756 4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.951 -8.086 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.489 -9.047 4.739 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.775 -9.361 6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.124 -8.280 8.170 1.00 0.00 H new ATOM 219 N ILE A 14 -1.767 -8.374 2.645 1.00 0.00 N ATOM 220 CA ILE A 14 -1.300 -9.078 1.456 1.00 0.00 C ATOM 221 C ILE A 14 -0.695 -10.416 1.879 1.00 0.00 C ATOM 222 O ILE A 14 0.105 -10.473 2.811 1.00 0.00 O ATOM 223 CB ILE A 14 -0.242 -8.247 0.715 1.00 0.00 C ATOM 224 CG1 ILE A 14 -0.794 -6.864 0.335 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.232 -9.010 -0.529 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.262 -5.995 -0.349 1.00 0.00 C ATOM 0 H ILE A 14 -1.157 -8.506 3.452 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.143 -9.241 0.784 1.00 0.00 H new ATOM 0 HB ILE A 14 0.609 -8.088 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.650 -6.985 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.155 -6.359 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.983 -8.419 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.666 -9.963 -0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.616 -9.190 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.171 -5.027 -0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.107 -5.851 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.604 -6.487 -1.260 1.00 0.00 H new ATOM 238 N GLY A 15 -1.074 -11.494 1.186 1.00 0.00 N ATOM 239 CA GLY A 15 -0.594 -12.826 1.506 1.00 0.00 C ATOM 240 C GLY A 15 -0.838 -13.149 2.975 1.00 0.00 C ATOM 241 O GLY A 15 -1.840 -12.732 3.554 1.00 0.00 O ATOM 0 H GLY A 15 -1.717 -11.461 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.099 -13.560 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.471 -12.897 1.285 1.00 0.00 H new ATOM 245 N ASP A 16 0.092 -13.893 3.576 1.00 0.00 N ATOM 246 CA ASP A 16 0.050 -14.246 4.988 1.00 0.00 C ATOM 247 C ASP A 16 1.344 -13.810 5.685 1.00 0.00 C ATOM 248 O ASP A 16 1.638 -14.259 6.795 1.00 0.00 O ATOM 249 CB ASP A 16 -0.236 -15.740 5.152 1.00 0.00 C ATOM 250 CG ASP A 16 0.873 -16.621 4.578 1.00 0.00 C ATOM 251 OD1 ASP A 16 1.039 -16.613 3.337 1.00 0.00 O ATOM 252 OD2 ASP A 16 1.545 -17.297 5.387 1.00 0.00 O ATOM 0 H ASP A 16 0.904 -14.270 3.086 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.766 -13.711 5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.363 -15.967 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.178 -15.981 4.659 1.00 0.00 H new ATOM 257 N ASP A 17 2.120 -12.935 5.033 1.00 0.00 N ATOM 258 CA ASP A 17 3.395 -12.459 5.552 1.00 0.00 C ATOM 259 C ASP A 17 3.556 -10.947 5.387 1.00 0.00 C ATOM 260 O ASP A 17 4.596 -10.415 5.778 1.00 0.00 O ATOM 261 CB ASP A 17 4.552 -13.173 4.846 1.00 0.00 C ATOM 262 CG ASP A 17 4.536 -14.682 5.080 1.00 0.00 C ATOM 263 OD1 ASP A 17 4.783 -15.086 6.241 1.00 0.00 O ATOM 264 OD2 ASP A 17 4.280 -15.416 4.098 1.00 0.00 O ATOM 0 H ASP A 17 1.874 -12.539 4.126 1.00 0.00 H new ATOM 0 HA ASP A 17 3.412 -12.685 6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.499 -12.974 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.498 -12.763 5.200 1.00 0.00 H new ATOM 269 N ILE A 18 2.572 -10.229 4.825 1.00 0.00 N ATOM 270 CA ILE A 18 2.725 -8.796 4.613 1.00 0.00 C ATOM 271 C ILE A 18 1.480 -8.035 5.059 1.00 0.00 C ATOM 272 O ILE A 18 0.357 -8.532 4.957 1.00 0.00 O ATOM 273 CB ILE A 18 3.036 -8.495 3.136 1.00 0.00 C ATOM 274 CG1 ILE A 18 4.263 -9.256 2.621 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.298 -6.997 2.954 1.00 0.00 C ATOM 276 CD1 ILE A 18 3.844 -10.566 1.955 1.00 0.00 C ATOM 0 H ILE A 18 1.680 -10.615 4.517 1.00 0.00 H new ATOM 0 HA ILE A 18 3.564 -8.458 5.222 1.00 0.00 H new ATOM 0 HB ILE A 18 2.166 -8.819 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.808 -8.638 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.942 -9.463 3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.518 -6.791 1.906 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.416 -6.434 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.148 -6.699 3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.729 -11.091 1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.320 -11.191 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.184 -10.352 1.115 1.00 0.00 H new ATOM 288 N THR A 19 1.693 -6.816 5.556 1.00 0.00 N ATOM 289 CA THR A 19 0.641 -5.899 5.962 1.00 0.00 C ATOM 290 C THR A 19 1.055 -4.489 5.552 1.00 0.00 C ATOM 291 O THR A 19 2.243 -4.210 5.397 1.00 0.00 O ATOM 292 CB THR A 19 0.427 -5.999 7.480 1.00 0.00 C ATOM 293 OG1 THR A 19 0.167 -7.337 7.843 1.00 0.00 O ATOM 294 CG2 THR A 19 -0.746 -5.143 7.952 1.00 0.00 C ATOM 0 H THR A 19 2.629 -6.434 5.689 1.00 0.00 H new ATOM 0 HA THR A 19 -0.302 -6.150 5.477 1.00 0.00 H new ATOM 0 HB THR A 19 1.340 -5.637 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.033 -7.393 8.812 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.860 -5.245 9.031 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.557 -4.099 7.704 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.660 -5.474 7.458 1.00 0.00 H new ATOM 302 N ILE A 20 0.073 -3.602 5.379 1.00 0.00 N ATOM 303 CA ILE A 20 0.281 -2.228 4.935 1.00 0.00 C ATOM 304 C ILE A 20 -0.530 -1.302 5.836 1.00 0.00 C ATOM 305 O ILE A 20 -1.585 -1.695 6.328 1.00 0.00 O ATOM 306 CB ILE A 20 -0.179 -2.094 3.472 1.00 0.00 C ATOM 307 CG1 ILE A 20 0.565 -3.058 2.534 1.00 0.00 C ATOM 308 CG2 ILE A 20 -0.006 -0.654 2.983 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.052 -2.741 2.386 1.00 0.00 C ATOM 0 H ILE A 20 -0.908 -3.826 5.548 1.00 0.00 H new ATOM 0 HA ILE A 20 1.336 -1.959 4.995 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.235 -2.361 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.455 -4.075 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.096 -3.029 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.336 -0.579 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.603 0.015 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.044 -0.371 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.512 -3.462 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.171 -1.736 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.535 -2.799 3.361 1.00 0.00 H new ATOM 321 N THR A 21 -0.046 -0.078 6.052 1.00 0.00 N ATOM 322 CA THR A 21 -0.721 0.877 6.918 1.00 0.00 C ATOM 323 C THR A 21 -0.543 2.293 6.383 1.00 0.00 C ATOM 324 O THR A 21 0.567 2.710 6.060 1.00 0.00 O ATOM 325 CB THR A 21 -0.155 0.784 8.342 1.00 0.00 C ATOM 326 OG1 THR A 21 -0.260 -0.538 8.817 1.00 0.00 O ATOM 327 CG2 THR A 21 -0.926 1.687 9.297 1.00 0.00 C ATOM 0 H THR A 21 0.816 0.272 5.634 1.00 0.00 H new ATOM 0 HA THR A 21 -1.785 0.639 6.939 1.00 0.00 H new ATOM 0 HB THR A 21 0.888 1.098 8.302 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.198 -0.741 9.014 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.504 1.602 10.299 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.853 2.721 8.959 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.973 1.385 9.317 1.00 0.00 H new ATOM 335 N ILE A 22 -1.647 3.033 6.286 1.00 0.00 N ATOM 336 CA ILE A 22 -1.652 4.415 5.827 1.00 0.00 C ATOM 337 C ILE A 22 -1.431 5.321 7.041 1.00 0.00 C ATOM 338 O ILE A 22 -2.375 5.711 7.724 1.00 0.00 O ATOM 339 CB ILE A 22 -2.959 4.687 5.055 1.00 0.00 C ATOM 340 CG1 ILE A 22 -3.209 6.161 4.735 1.00 0.00 C ATOM 341 CG2 ILE A 22 -4.195 4.175 5.801 1.00 0.00 C ATOM 342 CD1 ILE A 22 -1.993 6.829 4.108 1.00 0.00 C ATOM 0 H ILE A 22 -2.573 2.682 6.528 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.844 4.624 5.126 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.812 4.143 4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.057 6.244 4.056 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.480 6.689 5.650 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.089 4.391 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.110 3.099 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.267 4.671 6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.220 7.874 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.150 6.771 4.797 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.737 6.320 3.179 1.00 0.00 H new ATOM 354 N LEU A 23 -0.166 5.658 7.318 1.00 0.00 N ATOM 355 CA LEU A 23 0.181 6.366 8.547 1.00 0.00 C ATOM 356 C LEU A 23 -0.371 7.792 8.529 1.00 0.00 C ATOM 357 O LEU A 23 -0.629 8.364 9.587 1.00 0.00 O ATOM 358 CB LEU A 23 1.703 6.392 8.771 1.00 0.00 C ATOM 359 CG LEU A 23 2.468 5.225 8.134 1.00 0.00 C ATOM 360 CD1 LEU A 23 3.964 5.491 8.265 1.00 0.00 C ATOM 361 CD2 LEU A 23 2.131 3.897 8.807 1.00 0.00 C ATOM 0 H LEU A 23 0.627 5.452 6.710 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.276 5.823 9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.098 7.327 8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.898 6.393 9.843 1.00 0.00 H new ATOM 0 HG LEU A 23 2.177 5.152 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.521 4.668 7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.214 6.420 7.754 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.228 5.575 9.319 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.692 3.094 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.397 3.946 9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.063 3.701 8.711 1.00 0.00 H new ATOM 373 N GLY A 24 -0.553 8.364 7.335 1.00 0.00 N ATOM 374 CA GLY A 24 -1.143 9.685 7.186 1.00 0.00 C ATOM 375 C GLY A 24 -0.819 10.310 5.835 1.00 0.00 C ATOM 376 O GLY A 24 -0.240 9.659 4.968 1.00 0.00 O ATOM 0 H GLY A 24 -0.295 7.922 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.224 9.613 7.301 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.780 10.335 7.982 1.00 0.00 H new ATOM 380 N VAL A 25 -1.188 11.583 5.651 1.00 0.00 N ATOM 381 CA VAL A 25 -0.871 12.323 4.435 1.00 0.00 C ATOM 382 C VAL A 25 -0.277 13.684 4.788 1.00 0.00 C ATOM 383 O VAL A 25 -0.283 14.091 5.950 1.00 0.00 O ATOM 384 CB VAL A 25 -2.096 12.475 3.512 1.00 0.00 C ATOM 385 CG1 VAL A 25 -2.879 11.165 3.402 1.00 0.00 C ATOM 386 CG2 VAL A 25 -3.038 13.593 3.965 1.00 0.00 C ATOM 0 H VAL A 25 -1.712 12.122 6.340 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.129 11.748 3.880 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.700 12.742 2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.736 11.308 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.233 10.388 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.227 10.865 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.883 13.656 3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.401 13.378 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.502 14.542 3.968 1.00 0.00 H new ATOM 396 N SER A 26 0.235 14.377 3.772 1.00 0.00 N ATOM 397 CA SER A 26 0.880 15.676 3.922 1.00 0.00 C ATOM 398 C SER A 26 0.549 16.529 2.702 1.00 0.00 C ATOM 399 O SER A 26 1.427 17.146 2.102 1.00 0.00 O ATOM 400 CB SER A 26 2.388 15.476 4.042 1.00 0.00 C ATOM 401 OG SER A 26 2.724 15.034 5.340 1.00 0.00 O ATOM 0 H SER A 26 0.212 14.045 2.808 1.00 0.00 H new ATOM 0 HA SER A 26 0.522 16.180 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.724 14.747 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.904 16.411 3.825 1.00 0.00 H new ATOM 0 HG SER A 26 3.694 14.908 5.402 1.00 0.00 H new ATOM 407 N GLY A 27 -0.734 16.556 2.338 1.00 0.00 N ATOM 408 CA GLY A 27 -1.188 17.212 1.126 1.00 0.00 C ATOM 409 C GLY A 27 -1.534 16.146 0.094 1.00 0.00 C ATOM 410 O GLY A 27 -2.052 15.087 0.444 1.00 0.00 O ATOM 0 H GLY A 27 -1.482 16.122 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.060 17.832 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.412 17.873 0.741 1.00 0.00 H new ATOM 414 N GLN A 28 -1.250 16.417 -1.183 1.00 0.00 N ATOM 415 CA GLN A 28 -1.424 15.421 -2.227 1.00 0.00 C ATOM 416 C GLN A 28 -0.309 14.374 -2.195 1.00 0.00 C ATOM 417 O GLN A 28 -0.225 13.535 -3.092 1.00 0.00 O ATOM 418 CB GLN A 28 -1.555 16.105 -3.586 1.00 0.00 C ATOM 419 CG GLN A 28 -2.974 15.887 -4.119 1.00 0.00 C ATOM 420 CD GLN A 28 -4.025 16.518 -3.207 1.00 0.00 C ATOM 421 OE1 GLN A 28 -4.557 15.752 -2.255 1.00 0.00 O flip ATOM 422 NE2 GLN A 28 -4.354 17.691 -3.359 1.00 0.00 N flip ATOM 0 H GLN A 28 -0.900 17.317 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.350 14.876 -2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.348 17.171 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.824 15.698 -4.284 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.057 16.314 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.167 14.818 -4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.926 18.249 -4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.055 18.108 -2.746 1.00 0.00 H new ATOM 431 N GLN A 29 0.546 14.415 -1.170 1.00 0.00 N ATOM 432 CA GLN A 29 1.494 13.350 -0.909 1.00 0.00 C ATOM 433 C GLN A 29 0.976 12.508 0.251 1.00 0.00 C ATOM 434 O GLN A 29 0.187 12.982 1.067 1.00 0.00 O ATOM 435 CB GLN A 29 2.891 13.917 -0.643 1.00 0.00 C ATOM 436 CG GLN A 29 3.069 14.470 0.769 1.00 0.00 C ATOM 437 CD GLN A 29 4.513 14.899 0.985 1.00 0.00 C ATOM 438 OE1 GLN A 29 5.130 15.495 0.108 1.00 0.00 O ATOM 439 NE2 GLN A 29 5.071 14.602 2.158 1.00 0.00 N ATOM 0 H GLN A 29 0.594 15.187 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 29 1.588 12.709 -1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.630 13.134 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 29 3.095 14.710 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.403 15.319 0.922 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.793 13.712 1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.532 14.105 2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.037 14.871 2.346 1.00 0.00 H new ATOM 448 N VAL A 30 1.421 11.255 0.329 1.00 0.00 N ATOM 449 CA VAL A 30 0.890 10.271 1.259 1.00 0.00 C ATOM 450 C VAL A 30 2.052 9.513 1.892 1.00 0.00 C ATOM 451 O VAL A 30 3.094 9.340 1.259 1.00 0.00 O ATOM 452 CB VAL A 30 -0.034 9.317 0.487 1.00 0.00 C ATOM 453 CG1 VAL A 30 -0.608 8.245 1.408 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.209 10.072 -0.136 1.00 0.00 C ATOM 0 H VAL A 30 2.170 10.894 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 30 0.317 10.752 2.052 1.00 0.00 H new ATOM 0 HB VAL A 30 0.572 8.857 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.258 7.584 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.206 7.666 1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.182 8.719 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.846 9.372 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.788 10.557 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.832 10.826 -0.827 1.00 0.00 H new ATOM 464 N ARG A 31 1.879 9.054 3.135 1.00 0.00 N ATOM 465 CA ARG A 31 2.921 8.334 3.858 1.00 0.00 C ATOM 466 C ARG A 31 2.355 7.021 4.378 1.00 0.00 C ATOM 467 O ARG A 31 1.357 6.990 5.100 1.00 0.00 O ATOM 468 CB ARG A 31 3.484 9.211 4.973 1.00 0.00 C ATOM 469 CG ARG A 31 4.741 8.581 5.560 1.00 0.00 C ATOM 470 CD ARG A 31 5.458 9.589 6.454 1.00 0.00 C ATOM 471 NE ARG A 31 5.990 10.708 5.665 1.00 0.00 N ATOM 472 CZ ARG A 31 5.982 11.985 6.052 1.00 0.00 C ATOM 473 NH1 ARG A 31 5.495 12.344 7.235 1.00 0.00 N ATOM 474 NH2 ARG A 31 6.470 12.920 5.241 1.00 0.00 N ATOM 0 H ARG A 31 1.015 9.173 3.663 1.00 0.00 H new ATOM 0 HA ARG A 31 3.750 8.097 3.192 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.714 10.203 4.583 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.736 9.342 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.479 7.693 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.404 8.257 4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.768 9.967 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.271 9.095 6.985 1.00 0.00 H new ATOM 0 HE ARG A 31 6.395 10.493 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.118 11.638 7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.498 13.326 7.511 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.847 12.659 4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.467 13.898 5.530 1.00 0.00 H new ATOM 488 N ILE A 32 3.020 5.932 3.993 1.00 0.00 N ATOM 489 CA ILE A 32 2.525 4.583 4.186 1.00 0.00 C ATOM 490 C ILE A 32 3.650 3.702 4.704 1.00 0.00 C ATOM 491 O ILE A 32 4.806 3.870 4.325 1.00 0.00 O ATOM 492 CB ILE A 32 2.004 4.078 2.833 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.745 4.855 2.434 1.00 0.00 C ATOM 494 CG2 ILE A 32 1.680 2.582 2.856 1.00 0.00 C ATOM 495 CD1 ILE A 32 0.539 4.834 0.922 1.00 0.00 C ATOM 0 H ILE A 32 3.929 5.970 3.533 1.00 0.00 H new ATOM 0 HA ILE A 32 1.718 4.559 4.918 1.00 0.00 H new ATOM 0 HB ILE A 32 2.799 4.240 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.125 4.422 2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.826 5.886 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.315 2.274 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.580 2.019 3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.914 2.387 3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.362 5.393 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.399 5.290 0.431 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.433 3.803 0.584 1.00 0.00 H new ATOM 507 N GLY A 33 3.300 2.758 5.578 1.00 0.00 N ATOM 508 CA GLY A 33 4.253 1.828 6.151 1.00 0.00 C ATOM 509 C GLY A 33 3.997 0.434 5.607 1.00 0.00 C ATOM 510 O GLY A 33 2.919 0.137 5.089 1.00 0.00 O ATOM 0 H GLY A 33 2.343 2.623 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.270 2.141 5.913 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.166 1.827 7.238 1.00 0.00 H new ATOM 514 N ILE A 34 5.005 -0.423 5.734 1.00 0.00 N ATOM 515 CA ILE A 34 4.961 -1.784 5.234 1.00 0.00 C ATOM 516 C ILE A 34 5.504 -2.675 6.335 1.00 0.00 C ATOM 517 O ILE A 34 6.392 -2.277 7.088 1.00 0.00 O ATOM 518 CB ILE A 34 5.795 -1.887 3.951 1.00 0.00 C ATOM 519 CG1 ILE A 34 5.286 -0.878 2.915 1.00 0.00 C ATOM 520 CG2 ILE A 34 5.719 -3.301 3.374 1.00 0.00 C ATOM 521 CD1 ILE A 34 6.186 -0.819 1.678 1.00 0.00 C ATOM 0 H ILE A 34 5.884 -0.185 6.193 1.00 0.00 H new ATOM 0 HA ILE A 34 3.947 -2.093 4.979 1.00 0.00 H new ATOM 0 HB ILE A 34 6.834 -1.663 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.274 -1.148 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.230 0.111 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.317 -3.355 2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.104 -4.013 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.682 -3.544 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.786 -0.091 0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.192 -0.523 1.974 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.221 -1.801 1.206 1.00 0.00 H new ATOM 533 N ASN A 35 4.968 -3.884 6.428 1.00 0.00 N ATOM 534 CA ASN A 35 5.287 -4.793 7.510 1.00 0.00 C ATOM 535 C ASN A 35 5.424 -6.194 6.941 1.00 0.00 C ATOM 536 O ASN A 35 4.446 -6.933 6.829 1.00 0.00 O ATOM 537 CB ASN A 35 4.192 -4.711 8.577 1.00 0.00 C ATOM 538 CG ASN A 35 4.503 -5.583 9.784 1.00 0.00 C ATOM 539 OD1 ASN A 35 5.634 -6.023 9.970 1.00 0.00 O ATOM 540 ND2 ASN A 35 3.498 -5.841 10.613 1.00 0.00 N ATOM 0 H ASN A 35 4.300 -4.258 5.754 1.00 0.00 H new ATOM 0 HA ASN A 35 6.231 -4.523 7.984 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.076 -3.676 8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.240 -5.019 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.653 -6.422 11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 35 2.571 -5.458 10.426 1.00 0.00 H new ATOM 547 N ALA A 36 6.656 -6.545 6.586 1.00 0.00 N ATOM 548 CA ALA A 36 6.980 -7.824 5.984 1.00 0.00 C ATOM 549 C ALA A 36 8.298 -8.361 6.539 1.00 0.00 C ATOM 550 O ALA A 36 9.128 -7.590 7.021 1.00 0.00 O ATOM 551 CB ALA A 36 7.115 -7.630 4.474 1.00 0.00 C ATOM 0 H ALA A 36 7.465 -5.937 6.712 1.00 0.00 H new ATOM 0 HA ALA A 36 6.189 -8.538 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.359 -8.583 4.005 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.174 -7.257 4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.908 -6.911 4.269 1.00 0.00 H new ATOM 557 N PRO A 37 8.494 -9.684 6.473 1.00 0.00 N ATOM 558 CA PRO A 37 9.744 -10.317 6.833 1.00 0.00 C ATOM 559 C PRO A 37 10.839 -9.925 5.848 1.00 0.00 C ATOM 560 O PRO A 37 10.559 -9.546 4.716 1.00 0.00 O ATOM 561 CB PRO A 37 9.464 -11.816 6.745 1.00 0.00 C ATOM 562 CG PRO A 37 8.290 -11.938 5.781 1.00 0.00 C ATOM 563 CD PRO A 37 7.510 -10.657 6.040 1.00 0.00 C ATOM 0 HA PRO A 37 10.086 -10.019 7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.335 -12.360 6.379 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.218 -12.230 7.723 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.622 -12.007 4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.690 -12.825 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.997 -10.321 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.747 -10.810 6.803 1.00 0.00 H new ATOM 571 N LYS A 38 12.102 -10.019 6.284 1.00 0.00 N ATOM 572 CA LYS A 38 13.241 -9.784 5.409 1.00 0.00 C ATOM 573 C LYS A 38 13.337 -10.897 4.364 1.00 0.00 C ATOM 574 O LYS A 38 14.210 -10.878 3.496 1.00 0.00 O ATOM 575 CB LYS A 38 14.520 -9.682 6.245 1.00 0.00 C ATOM 576 CG LYS A 38 14.374 -8.643 7.364 1.00 0.00 C ATOM 577 CD LYS A 38 14.060 -7.245 6.826 1.00 0.00 C ATOM 578 CE LYS A 38 15.249 -6.640 6.085 1.00 0.00 C ATOM 579 NZ LYS A 38 16.361 -6.335 7.007 1.00 0.00 N ATOM 0 H LYS A 38 12.354 -10.258 7.243 1.00 0.00 H new ATOM 0 HA LYS A 38 13.109 -8.842 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.753 -10.655 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.357 -9.411 5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.581 -8.954 8.044 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.296 -8.607 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.203 -7.298 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.777 -6.593 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.591 -7.333 5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.936 -5.728 5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.049 -5.718 6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.990 -5.853 7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.829 -7.219 7.292 1.00 0.00 H new ATOM 593 N ASP A 39 12.430 -11.875 4.462 1.00 0.00 N ATOM 594 CA ASP A 39 12.264 -12.960 3.511 1.00 0.00 C ATOM 595 C ASP A 39 11.693 -12.453 2.183 1.00 0.00 C ATOM 596 O ASP A 39 11.621 -13.214 1.218 1.00 0.00 O ATOM 597 CB ASP A 39 11.310 -13.994 4.114 1.00 0.00 C ATOM 598 CG ASP A 39 12.001 -14.820 5.197 1.00 0.00 C ATOM 599 OD1 ASP A 39 12.610 -15.853 4.834 1.00 0.00 O ATOM 600 OD2 ASP A 39 11.919 -14.418 6.379 1.00 0.00 O ATOM 0 H ASP A 39 11.770 -11.927 5.238 1.00 0.00 H new ATOM 0 HA ASP A 39 13.239 -13.405 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.442 -13.488 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.942 -14.654 3.329 1.00 0.00 H new ATOM 605 N VAL A 40 11.284 -11.182 2.126 1.00 0.00 N ATOM 606 CA VAL A 40 10.721 -10.564 0.933 1.00 0.00 C ATOM 607 C VAL A 40 11.264 -9.148 0.785 1.00 0.00 C ATOM 608 O VAL A 40 11.763 -8.562 1.747 1.00 0.00 O ATOM 609 CB VAL A 40 9.187 -10.549 0.978 1.00 0.00 C ATOM 610 CG1 VAL A 40 8.628 -11.950 1.236 1.00 0.00 C ATOM 611 CG2 VAL A 40 8.682 -9.612 2.070 1.00 0.00 C ATOM 0 H VAL A 40 11.338 -10.548 2.923 1.00 0.00 H new ATOM 0 HA VAL A 40 11.017 -11.157 0.068 1.00 0.00 H new ATOM 0 HB VAL A 40 8.843 -10.196 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.539 -11.908 1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.946 -12.621 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.000 -12.320 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.592 -9.620 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.057 -9.946 3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.036 -8.600 1.873 1.00 0.00 H new ATOM 621 N ALA A 41 11.169 -8.596 -0.427 1.00 0.00 N ATOM 622 CA ALA A 41 11.722 -7.286 -0.717 1.00 0.00 C ATOM 623 C ALA A 41 10.614 -6.249 -0.877 1.00 0.00 C ATOM 624 O ALA A 41 9.529 -6.571 -1.353 1.00 0.00 O ATOM 625 CB ALA A 41 12.535 -7.394 -2.009 1.00 0.00 C ATOM 0 H ALA A 41 10.711 -9.044 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 41 12.356 -6.962 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.963 -6.422 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.337 -8.120 -1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.885 -7.717 -2.822 1.00 0.00 H new ATOM 631 N VAL A 42 10.893 -5.003 -0.483 1.00 0.00 N ATOM 632 CA VAL A 42 9.955 -3.897 -0.670 1.00 0.00 C ATOM 633 C VAL A 42 10.743 -2.619 -0.953 1.00 0.00 C ATOM 634 O VAL A 42 11.624 -2.253 -0.178 1.00 0.00 O ATOM 635 CB VAL A 42 9.047 -3.720 0.562 1.00 0.00 C ATOM 636 CG1 VAL A 42 8.215 -4.980 0.800 1.00 0.00 C ATOM 637 CG2 VAL A 42 9.816 -3.433 1.852 1.00 0.00 C ATOM 0 H VAL A 42 11.767 -4.736 -0.030 1.00 0.00 H new ATOM 0 HA VAL A 42 9.307 -4.120 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 42 8.419 -2.859 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.580 -4.837 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.592 -5.175 -0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.879 -5.828 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.113 -3.320 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.494 -4.260 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.390 -2.514 1.736 1.00 0.00 H new ATOM 647 N HIS A 43 10.441 -1.927 -2.061 1.00 0.00 N ATOM 648 CA HIS A 43 11.151 -0.693 -2.392 1.00 0.00 C ATOM 649 C HIS A 43 10.342 0.200 -3.328 1.00 0.00 C ATOM 650 O HIS A 43 9.346 -0.233 -3.905 1.00 0.00 O ATOM 651 CB HIS A 43 12.484 -0.973 -3.100 1.00 0.00 C ATOM 652 CG HIS A 43 13.259 -2.170 -2.629 1.00 0.00 C ATOM 653 ND1 HIS A 43 14.277 -2.152 -1.671 1.00 0.00 N ATOM 654 CD2 HIS A 43 13.086 -3.448 -3.082 1.00 0.00 C ATOM 655 CE1 HIS A 43 14.703 -3.423 -1.579 1.00 0.00 C ATOM 656 NE2 HIS A 43 14.009 -4.219 -2.414 1.00 0.00 N ATOM 0 H HIS A 43 9.721 -2.199 -2.731 1.00 0.00 H new ATOM 0 HA HIS A 43 11.317 -0.196 -1.436 1.00 0.00 H new ATOM 0 HB2 HIS A 43 12.285 -1.094 -4.165 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.118 -0.093 -2.992 1.00 0.00 H new ATOM 0 HD1 HIS A 43 14.623 -1.345 -1.152 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.369 -3.785 -3.816 1.00 0.00 H new ATOM 0 HE1 HIS A 43 15.494 -3.760 -0.925 1.00 0.00 H new ATOM 664 N ARG A 44 10.779 1.455 -3.474 1.00 0.00 N ATOM 665 CA ARG A 44 10.235 2.341 -4.491 1.00 0.00 C ATOM 666 C ARG A 44 10.627 1.806 -5.861 1.00 0.00 C ATOM 667 O ARG A 44 11.600 1.059 -5.975 1.00 0.00 O ATOM 668 CB ARG A 44 10.771 3.769 -4.328 1.00 0.00 C ATOM 669 CG ARG A 44 10.476 4.321 -2.936 1.00 0.00 C ATOM 670 CD ARG A 44 10.690 5.837 -2.902 1.00 0.00 C ATOM 671 NE ARG A 44 11.994 6.236 -3.447 1.00 0.00 N ATOM 672 CZ ARG A 44 13.161 6.098 -2.814 1.00 0.00 C ATOM 673 NH1 ARG A 44 13.232 5.537 -1.613 1.00 0.00 N ATOM 674 NH2 ARG A 44 14.274 6.526 -3.398 1.00 0.00 N ATOM 0 H ARG A 44 11.508 1.874 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 44 9.151 2.374 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 44 11.847 3.777 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 44 10.320 4.416 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.449 4.087 -2.656 1.00 0.00 H new ATOM 0 HG3 ARG A 44 11.124 3.840 -2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.898 6.325 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 44 10.607 6.189 -1.874 1.00 0.00 H new ATOM 0 HE ARG A 44 12.009 6.650 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.384 5.201 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.134 5.442 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.232 6.956 -4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 44 15.171 6.425 -2.922 1.00 0.00 H new ATOM 688 N GLU A 45 9.888 2.180 -6.904 1.00 0.00 N ATOM 689 CA GLU A 45 10.218 1.756 -8.259 1.00 0.00 C ATOM 690 C GLU A 45 11.628 2.206 -8.639 1.00 0.00 C ATOM 691 O GLU A 45 12.232 1.628 -9.538 1.00 0.00 O ATOM 692 CB GLU A 45 9.197 2.330 -9.246 1.00 0.00 C ATOM 693 CG GLU A 45 7.802 1.762 -8.984 1.00 0.00 C ATOM 694 CD GLU A 45 7.745 0.264 -9.251 1.00 0.00 C ATOM 695 OE1 GLU A 45 7.545 -0.114 -10.426 1.00 0.00 O ATOM 696 OE2 GLU A 45 7.900 -0.493 -8.268 1.00 0.00 O ATOM 0 H GLU A 45 9.061 2.773 -6.835 1.00 0.00 H new ATOM 0 HA GLU A 45 10.184 0.667 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.173 3.416 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.502 2.098 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.517 1.959 -7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.076 2.272 -9.617 1.00 0.00 H new ATOM 703 N GLU A 46 12.153 3.234 -7.964 1.00 0.00 N ATOM 704 CA GLU A 46 13.479 3.758 -8.243 1.00 0.00 C ATOM 705 C GLU A 46 14.581 2.830 -7.721 1.00 0.00 C ATOM 706 O GLU A 46 15.649 2.751 -8.328 1.00 0.00 O ATOM 707 CB GLU A 46 13.581 5.139 -7.587 1.00 0.00 C ATOM 708 CG GLU A 46 14.933 5.802 -7.843 1.00 0.00 C ATOM 709 CD GLU A 46 14.976 7.199 -7.226 1.00 0.00 C ATOM 710 OE1 GLU A 46 14.567 7.325 -6.047 1.00 0.00 O ATOM 711 OE2 GLU A 46 15.417 8.132 -7.932 1.00 0.00 O ATOM 0 H GLU A 46 11.665 3.720 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 46 13.621 3.831 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.786 5.780 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.424 5.041 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.730 5.189 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.114 5.867 -8.916 1.00 0.00 H new ATOM 718 N ILE A 47 14.340 2.128 -6.607 1.00 0.00 N ATOM 719 CA ILE A 47 15.313 1.189 -6.065 1.00 0.00 C ATOM 720 C ILE A 47 15.037 -0.179 -6.682 1.00 0.00 C ATOM 721 O ILE A 47 15.957 -0.968 -6.892 1.00 0.00 O ATOM 722 CB ILE A 47 15.180 1.121 -4.537 1.00 0.00 C ATOM 723 CG1 ILE A 47 15.892 2.270 -3.814 1.00 0.00 C ATOM 724 CG2 ILE A 47 15.791 -0.174 -3.991 1.00 0.00 C ATOM 725 CD1 ILE A 47 15.370 3.645 -4.226 1.00 0.00 C ATOM 0 H ILE A 47 13.477 2.197 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 47 16.327 1.510 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 47 14.108 1.179 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.769 2.147 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 47 16.961 2.216 -4.021 1.00 0.00 H new ATOM 0 HG21 ILE A 47 15.684 -0.198 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.276 -1.031 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 47 16.848 -0.216 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 47 15.912 4.418 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 47 15.518 3.784 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.307 3.715 -3.994 1.00 0.00 H new ATOM 737 N TYR A 48 13.762 -0.451 -6.968 1.00 0.00 N ATOM 738 CA TYR A 48 13.317 -1.725 -7.498 1.00 0.00 C ATOM 739 C TYR A 48 14.025 -2.087 -8.801 1.00 0.00 C ATOM 740 O TYR A 48 14.242 -3.261 -9.090 1.00 0.00 O ATOM 741 CB TYR A 48 11.818 -1.658 -7.746 1.00 0.00 C ATOM 742 CG TYR A 48 11.295 -2.952 -8.305 1.00 0.00 C ATOM 743 CD1 TYR A 48 11.042 -4.035 -7.449 1.00 0.00 C ATOM 744 CD2 TYR A 48 11.077 -3.068 -9.683 1.00 0.00 C ATOM 745 CE1 TYR A 48 10.571 -5.243 -7.977 1.00 0.00 C ATOM 746 CE2 TYR A 48 10.619 -4.276 -10.216 1.00 0.00 C ATOM 747 CZ TYR A 48 10.350 -5.367 -9.363 1.00 0.00 C ATOM 748 OH TYR A 48 9.881 -6.534 -9.887 1.00 0.00 O ATOM 0 H TYR A 48 13.006 0.221 -6.834 1.00 0.00 H new ATOM 0 HA TYR A 48 13.559 -2.496 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.303 -1.429 -6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 48 11.598 -0.846 -8.439 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.210 -3.937 -6.387 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.262 -2.226 -10.333 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.377 -6.080 -7.322 1.00 0.00 H new ATOM 0 HE2 TYR A 48 10.471 -4.374 -11.281 1.00 0.00 H new ATOM 0 HH TYR A 48 9.787 -6.442 -10.858 1.00 0.00 H new ATOM 1605 N MET C 1 8.763 -2.253 10.647 1.00 0.00 N ATOM 1606 CA MET C 1 8.058 -1.452 9.631 1.00 0.00 C ATOM 1607 C MET C 1 9.060 -0.817 8.676 1.00 0.00 C ATOM 1608 O MET C 1 10.187 -0.519 9.068 1.00 0.00 O ATOM 1609 CB MET C 1 7.237 -0.346 10.301 1.00 0.00 C ATOM 1610 CG MET C 1 6.231 0.310 9.358 1.00 0.00 C ATOM 1611 SD MET C 1 4.671 -0.580 9.192 1.00 0.00 S ATOM 1612 CE MET C 1 3.970 -0.047 10.770 1.00 0.00 C ATOM 0 H1 MET C 1 8.384 -2.030 11.589 1.00 0.00 H new ATOM 0 H2 MET C 1 8.625 -3.265 10.449 1.00 0.00 H new ATOM 0 H3 MET C 1 9.779 -2.031 10.621 1.00 0.00 H new ATOM 0 HA MET C 1 7.392 -2.113 9.076 1.00 0.00 H new ATOM 0 HB2 MET C 1 6.705 -0.764 11.156 1.00 0.00 H new ATOM 0 HB3 MET C 1 7.913 0.416 10.688 1.00 0.00 H new ATOM 0 HG2 MET C 1 6.023 1.319 9.714 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.686 0.407 8.372 1.00 0.00 H new ATOM 0 HE1 MET C 1 3.634 -0.919 11.332 1.00 0.00 H new ATOM 0 HE2 MET C 1 4.729 0.485 11.344 1.00 0.00 H new ATOM 0 HE3 MET C 1 3.123 0.615 10.587 1.00 0.00 H new ATOM 1624 N LEU C 2 8.648 -0.607 7.425 1.00 0.00 N ATOM 1625 CA LEU C 2 9.436 0.077 6.417 1.00 0.00 C ATOM 1626 C LEU C 2 8.515 1.103 5.765 1.00 0.00 C ATOM 1627 O LEU C 2 7.513 0.737 5.154 1.00 0.00 O ATOM 1628 CB LEU C 2 9.980 -0.980 5.446 1.00 0.00 C ATOM 1629 CG LEU C 2 10.879 -0.445 4.325 1.00 0.00 C ATOM 1630 CD1 LEU C 2 10.044 0.070 3.153 1.00 0.00 C ATOM 1631 CD2 LEU C 2 11.816 0.658 4.803 1.00 0.00 C ATOM 0 H LEU C 2 7.738 -0.917 7.084 1.00 0.00 H new ATOM 0 HA LEU C 2 10.300 0.608 6.815 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.542 -1.718 6.018 1.00 0.00 H new ATOM 0 HB3 LEU C 2 9.136 -1.502 4.994 1.00 0.00 H new ATOM 0 HG LEU C 2 11.491 -1.285 3.997 1.00 0.00 H new ATOM 0 HD11 LEU C 2 10.706 0.444 2.372 1.00 0.00 H new ATOM 0 HD12 LEU C 2 9.435 -0.742 2.755 1.00 0.00 H new ATOM 0 HD13 LEU C 2 9.395 0.876 3.495 1.00 0.00 H new ATOM 0 HD21 LEU C 2 12.430 1.001 3.970 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.229 1.492 5.189 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.460 0.271 5.593 1.00 0.00 H new ATOM 1643 N ILE C 3 8.854 2.391 5.899 1.00 0.00 N ATOM 1644 CA ILE C 3 7.980 3.476 5.490 1.00 0.00 C ATOM 1645 C ILE C 3 8.510 4.145 4.237 1.00 0.00 C ATOM 1646 O ILE C 3 9.716 4.182 3.998 1.00 0.00 O ATOM 1647 CB ILE C 3 7.837 4.508 6.622 1.00 0.00 C ATOM 1648 CG1 ILE C 3 7.089 3.935 7.828 1.00 0.00 C ATOM 1649 CG2 ILE C 3 7.025 5.717 6.157 1.00 0.00 C ATOM 1650 CD1 ILE C 3 7.999 3.127 8.746 1.00 0.00 C ATOM 0 H ILE C 3 9.742 2.701 6.294 1.00 0.00 H new ATOM 0 HA ILE C 3 6.997 3.058 5.271 1.00 0.00 H new ATOM 0 HB ILE C 3 8.854 4.787 6.898 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.638 4.751 8.394 1.00 0.00 H new ATOM 0 HG13 ILE C 3 6.274 3.301 7.479 1.00 0.00 H new ATOM 0 HG21 ILE C 3 6.937 6.433 6.974 1.00 0.00 H new ATOM 0 HG22 ILE C 3 7.527 6.190 5.313 1.00 0.00 H new ATOM 0 HG23 ILE C 3 6.031 5.392 5.852 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.420 2.743 9.586 1.00 0.00 H new ATOM 0 HD12 ILE C 3 8.429 2.294 8.190 1.00 0.00 H new ATOM 0 HD13 ILE C 3 8.799 3.766 9.119 1.00 0.00 H new ATOM 1662 N LEU C 4 7.574 4.672 3.446 1.00 0.00 N ATOM 1663 CA LEU C 4 7.840 5.390 2.221 1.00 0.00 C ATOM 1664 C LEU C 4 6.828 6.528 2.110 1.00 0.00 C ATOM 1665 O LEU C 4 5.748 6.465 2.699 1.00 0.00 O ATOM 1666 CB LEU C 4 7.697 4.440 1.028 1.00 0.00 C ATOM 1667 CG LEU C 4 8.735 3.313 1.044 1.00 0.00 C ATOM 1668 CD1 LEU C 4 8.440 2.350 -0.100 1.00 0.00 C ATOM 1669 CD2 LEU C 4 10.146 3.859 0.850 1.00 0.00 C ATOM 0 H LEU C 4 6.579 4.602 3.657 1.00 0.00 H new ATOM 0 HA LEU C 4 8.854 5.791 2.225 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.697 4.007 1.031 1.00 0.00 H new ATOM 0 HB3 LEU C 4 7.796 5.007 0.103 1.00 0.00 H new ATOM 0 HG LEU C 4 8.676 2.811 2.010 1.00 0.00 H new ATOM 0 HD11 LEU C 4 9.174 1.544 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU C 4 7.441 1.931 0.025 1.00 0.00 H new ATOM 0 HD13 LEU C 4 8.493 2.885 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU C 4 10.860 3.036 0.866 1.00 0.00 H new ATOM 0 HD22 LEU C 4 10.208 4.375 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU C 4 10.380 4.557 1.654 1.00 0.00 H new ATOM 1681 N THR C 5 7.174 7.567 1.352 1.00 0.00 N ATOM 1682 CA THR C 5 6.297 8.710 1.150 1.00 0.00 C ATOM 1683 C THR C 5 6.205 8.970 -0.345 1.00 0.00 C ATOM 1684 O THR C 5 7.222 9.001 -1.033 1.00 0.00 O ATOM 1685 CB THR C 5 6.844 9.930 1.897 1.00 0.00 C ATOM 1686 OG1 THR C 5 7.053 9.611 3.252 1.00 0.00 O ATOM 1687 CG2 THR C 5 5.861 11.091 1.858 1.00 0.00 C ATOM 0 H THR C 5 8.067 7.637 0.864 1.00 0.00 H new ATOM 0 HA THR C 5 5.301 8.509 1.545 1.00 0.00 H new ATOM 0 HB THR C 5 7.776 10.214 1.407 1.00 0.00 H new ATOM 0 HG1 THR C 5 7.815 10.123 3.595 1.00 0.00 H new ATOM 0 HG21 THR C 5 6.280 11.941 2.397 1.00 0.00 H new ATOM 0 HG22 THR C 5 5.674 11.375 0.822 1.00 0.00 H new ATOM 0 HG23 THR C 5 4.924 10.790 2.327 1.00 0.00 H new ATOM 1695 N ARG C 6 4.983 9.154 -0.852 1.00 0.00 N ATOM 1696 CA ARG C 6 4.741 9.253 -2.285 1.00 0.00 C ATOM 1697 C ARG C 6 3.713 10.313 -2.610 1.00 0.00 C ATOM 1698 O ARG C 6 3.188 10.977 -1.721 1.00 0.00 O ATOM 1699 CB ARG C 6 4.265 7.899 -2.811 1.00 0.00 C ATOM 1700 CG ARG C 6 5.136 6.760 -2.290 1.00 0.00 C ATOM 1701 CD ARG C 6 4.714 5.473 -2.977 1.00 0.00 C ATOM 1702 NE ARG C 6 3.264 5.251 -2.919 1.00 0.00 N ATOM 1703 CZ ARG C 6 2.651 4.444 -2.046 1.00 0.00 C ATOM 1704 NH1 ARG C 6 3.331 3.846 -1.074 1.00 0.00 N ATOM 1705 NH2 ARG C 6 1.342 4.233 -2.147 1.00 0.00 N ATOM 0 H ARG C 6 4.142 9.237 -0.281 1.00 0.00 H new ATOM 0 HA ARG C 6 5.676 9.539 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG C 6 3.230 7.734 -2.511 1.00 0.00 H new ATOM 0 HB3 ARG C 6 4.284 7.904 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG C 6 6.188 6.967 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG C 6 5.028 6.665 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG C 6 5.032 5.501 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG C 6 5.226 4.632 -2.510 1.00 0.00 H new ATOM 0 HE ARG C 6 2.682 5.748 -3.593 1.00 0.00 H new ATOM 0 HH11 ARG C 6 4.336 3.999 -0.985 1.00 0.00 H new ATOM 0 HH12 ARG C 6 2.849 3.234 -0.416 1.00 0.00 H new ATOM 0 HH21 ARG C 6 0.808 4.686 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG C 6 0.872 3.618 -1.483 1.00 0.00 H new ATOM 1719 N LYS C 7 3.434 10.457 -3.902 1.00 0.00 N ATOM 1720 CA LYS C 7 2.482 11.419 -4.419 1.00 0.00 C ATOM 1721 C LYS C 7 1.408 10.666 -5.190 1.00 0.00 C ATOM 1722 O LYS C 7 1.671 9.573 -5.691 1.00 0.00 O ATOM 1723 CB LYS C 7 3.215 12.405 -5.329 1.00 0.00 C ATOM 1724 CG LYS C 7 4.178 13.301 -4.552 1.00 0.00 C ATOM 1725 CD LYS C 7 3.407 14.473 -3.943 1.00 0.00 C ATOM 1726 CE LYS C 7 3.044 15.537 -4.978 1.00 0.00 C ATOM 1727 NZ LYS C 7 4.251 16.161 -5.554 1.00 0.00 N ATOM 0 H LYS C 7 3.875 9.894 -4.629 1.00 0.00 H new ATOM 0 HA LYS C 7 2.014 11.978 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.768 11.853 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS C 7 2.487 13.025 -5.852 1.00 0.00 H new ATOM 0 HG2 LYS C 7 4.670 12.728 -3.766 1.00 0.00 H new ATOM 0 HG3 LYS C 7 4.961 13.672 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS C 7 2.496 14.100 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS C 7 4.007 14.928 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS C 7 2.451 15.086 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS C 7 2.423 16.303 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 4.000 17.077 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 4.957 16.308 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.648 15.538 -6.286 1.00 0.00 H new ATOM 1741 N VAL C 8 0.206 11.238 -5.286 1.00 0.00 N ATOM 1742 CA VAL C 8 -0.872 10.535 -5.977 1.00 0.00 C ATOM 1743 C VAL C 8 -0.483 10.236 -7.425 1.00 0.00 C ATOM 1744 O VAL C 8 -0.219 11.144 -8.210 1.00 0.00 O ATOM 1745 CB VAL C 8 -2.210 11.267 -5.865 1.00 0.00 C ATOM 1746 CG1 VAL C 8 -2.616 11.301 -4.391 1.00 0.00 C ATOM 1747 CG2 VAL C 8 -2.208 12.699 -6.390 1.00 0.00 C ATOM 0 H VAL C 8 -0.039 12.153 -4.908 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.019 9.578 -5.475 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.910 10.714 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -3.569 11.820 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -2.715 10.282 -4.017 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -1.853 11.826 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -3.200 13.133 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -1.482 13.290 -5.832 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.940 12.699 -7.447 1.00 0.00 H new ATOM 1757 N GLY C 9 -0.458 8.940 -7.757 1.00 0.00 N ATOM 1758 CA GLY C 9 -0.113 8.453 -9.083 1.00 0.00 C ATOM 1759 C GLY C 9 1.115 7.540 -9.088 1.00 0.00 C ATOM 1760 O GLY C 9 1.317 6.799 -10.049 1.00 0.00 O ATOM 0 H GLY C 9 -0.681 8.195 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -0.963 7.910 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY C 9 0.072 9.304 -9.739 1.00 0.00 H new ATOM 1764 N GLU C 10 1.936 7.579 -8.031 1.00 0.00 N ATOM 1765 CA GLU C 10 3.145 6.757 -7.957 1.00 0.00 C ATOM 1766 C GLU C 10 2.825 5.296 -7.633 1.00 0.00 C ATOM 1767 O GLU C 10 1.686 4.947 -7.328 1.00 0.00 O ATOM 1768 CB GLU C 10 4.101 7.317 -6.902 1.00 0.00 C ATOM 1769 CG GLU C 10 4.628 8.688 -7.322 1.00 0.00 C ATOM 1770 CD GLU C 10 5.844 9.091 -6.491 1.00 0.00 C ATOM 1771 OE1 GLU C 10 5.631 9.639 -5.388 1.00 0.00 O ATOM 1772 OE2 GLU C 10 6.974 8.849 -6.966 1.00 0.00 O ATOM 0 H GLU C 10 1.783 8.172 -7.216 1.00 0.00 H new ATOM 0 HA GLU C 10 3.618 6.788 -8.938 1.00 0.00 H new ATOM 0 HB2 GLU C 10 3.586 7.398 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU C 10 4.935 6.630 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU C 10 4.896 8.669 -8.378 1.00 0.00 H new ATOM 0 HG3 GLU C 10 3.842 9.434 -7.206 1.00 0.00 H new ATOM 1779 N SER C 11 3.853 4.441 -7.699 1.00 0.00 N ATOM 1780 CA SER C 11 3.725 3.014 -7.448 1.00 0.00 C ATOM 1781 C SER C 11 4.915 2.503 -6.637 1.00 0.00 C ATOM 1782 O SER C 11 5.935 3.181 -6.535 1.00 0.00 O ATOM 1783 CB SER C 11 3.644 2.258 -8.776 1.00 0.00 C ATOM 1784 OG SER C 11 2.501 2.661 -9.505 1.00 0.00 O ATOM 0 H SER C 11 4.803 4.731 -7.931 1.00 0.00 H new ATOM 0 HA SER C 11 2.813 2.843 -6.877 1.00 0.00 H new ATOM 0 HB2 SER C 11 4.543 2.446 -9.364 1.00 0.00 H new ATOM 0 HB3 SER C 11 3.604 1.185 -8.589 1.00 0.00 H new ATOM 0 HG SER C 11 2.464 2.170 -10.352 1.00 0.00 H new ATOM 1790 N ILE C 12 4.772 1.302 -6.065 1.00 0.00 N ATOM 1791 CA ILE C 12 5.740 0.653 -5.182 1.00 0.00 C ATOM 1792 C ILE C 12 5.718 -0.853 -5.457 1.00 0.00 C ATOM 1793 O ILE C 12 4.750 -1.355 -6.023 1.00 0.00 O ATOM 1794 CB ILE C 12 5.347 0.955 -3.726 1.00 0.00 C ATOM 1795 CG1 ILE C 12 5.439 2.456 -3.427 1.00 0.00 C ATOM 1796 CG2 ILE C 12 6.189 0.184 -2.701 1.00 0.00 C ATOM 1797 CD1 ILE C 12 6.855 3.023 -3.596 1.00 0.00 C ATOM 0 H ILE C 12 3.939 0.732 -6.214 1.00 0.00 H new ATOM 0 HA ILE C 12 6.749 1.025 -5.359 1.00 0.00 H new ATOM 0 HB ILE C 12 4.314 0.620 -3.626 1.00 0.00 H new ATOM 0 HG12 ILE C 12 4.759 2.993 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE C 12 5.102 2.637 -2.406 1.00 0.00 H new ATOM 0 HG21 ILE C 12 5.862 0.442 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE C 12 6.065 -0.887 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE C 12 7.240 0.449 -2.820 1.00 0.00 H new ATOM 0 HD11 ILE C 12 6.849 4.089 -3.369 1.00 0.00 H new ATOM 0 HD12 ILE C 12 7.536 2.511 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE C 12 7.187 2.872 -4.623 1.00 0.00 H new ATOM 1809 N ASN C 13 6.769 -1.584 -5.064 1.00 0.00 N ATOM 1810 CA ASN C 13 6.862 -3.014 -5.336 1.00 0.00 C ATOM 1811 C ASN C 13 7.081 -3.829 -4.068 1.00 0.00 C ATOM 1812 O ASN C 13 7.672 -3.346 -3.099 1.00 0.00 O ATOM 1813 CB ASN C 13 7.999 -3.287 -6.326 1.00 0.00 C ATOM 1814 CG ASN C 13 7.470 -3.896 -7.620 1.00 0.00 C ATOM 1815 OD1 ASN C 13 7.336 -5.112 -7.732 1.00 0.00 O ATOM 1816 ND2 ASN C 13 7.164 -3.055 -8.603 1.00 0.00 N ATOM 0 H ASN C 13 7.566 -1.202 -4.555 1.00 0.00 H new ATOM 0 HA ASN C 13 5.910 -3.323 -5.768 1.00 0.00 H new ATOM 0 HB2 ASN C 13 8.524 -2.357 -6.547 1.00 0.00 H new ATOM 0 HB3 ASN C 13 8.725 -3.963 -5.873 1.00 0.00 H new ATOM 0 HD21 ASN C 13 6.804 -3.414 -9.488 1.00 0.00 H new ATOM 0 HD22 ASN C 13 7.289 -2.051 -8.473 1.00 0.00 H new ATOM 1823 N ILE C 14 6.591 -5.074 -4.102 1.00 0.00 N ATOM 1824 CA ILE C 14 6.718 -6.044 -3.026 1.00 0.00 C ATOM 1825 C ILE C 14 7.007 -7.410 -3.642 1.00 0.00 C ATOM 1826 O ILE C 14 6.341 -7.818 -4.597 1.00 0.00 O ATOM 1827 CB ILE C 14 5.416 -6.108 -2.210 1.00 0.00 C ATOM 1828 CG1 ILE C 14 5.057 -4.723 -1.651 1.00 0.00 C ATOM 1829 CG2 ILE C 14 5.561 -7.144 -1.087 1.00 0.00 C ATOM 1830 CD1 ILE C 14 3.757 -4.746 -0.851 1.00 0.00 C ATOM 0 H ILE C 14 6.081 -5.438 -4.907 1.00 0.00 H new ATOM 0 HA ILE C 14 7.528 -5.750 -2.359 1.00 0.00 H new ATOM 0 HB ILE C 14 4.599 -6.418 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE C 14 5.868 -4.368 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE C 14 4.964 -4.014 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE C 14 4.637 -7.187 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE C 14 5.765 -8.123 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE C 14 6.384 -6.858 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE C 14 3.543 -3.745 -0.475 1.00 0.00 H new ATOM 0 HD12 ILE C 14 2.940 -5.075 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE C 14 3.858 -5.435 -0.012 1.00 0.00 H new ATOM 1842 N GLY C 15 7.998 -8.121 -3.101 1.00 0.00 N ATOM 1843 CA GLY C 15 8.396 -9.410 -3.633 1.00 0.00 C ATOM 1844 C GLY C 15 8.741 -9.284 -5.115 1.00 0.00 C ATOM 1845 O GLY C 15 9.302 -8.278 -5.545 1.00 0.00 O ATOM 0 H GLY C 15 8.538 -7.817 -2.290 1.00 0.00 H new ATOM 0 HA2 GLY C 15 9.257 -9.789 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY C 15 7.590 -10.131 -3.500 1.00 0.00 H new ATOM 1849 N ASP C 16 8.402 -10.318 -5.888 1.00 0.00 N ATOM 1850 CA ASP C 16 8.606 -10.335 -7.329 1.00 0.00 C ATOM 1851 C ASP C 16 7.286 -10.625 -8.045 1.00 0.00 C ATOM 1852 O ASP C 16 7.283 -10.964 -9.227 1.00 0.00 O ATOM 1853 CB ASP C 16 9.692 -11.354 -7.687 1.00 0.00 C ATOM 1854 CG ASP C 16 11.029 -11.013 -7.031 1.00 0.00 C ATOM 1855 OD1 ASP C 16 11.731 -10.135 -7.579 1.00 0.00 O ATOM 1856 OD2 ASP C 16 11.336 -11.635 -5.990 1.00 0.00 O ATOM 0 H ASP C 16 7.976 -11.170 -5.524 1.00 0.00 H new ATOM 0 HA ASP C 16 8.948 -9.356 -7.664 1.00 0.00 H new ATOM 0 HB2 ASP C 16 9.376 -12.348 -7.372 1.00 0.00 H new ATOM 0 HB3 ASP C 16 9.816 -11.387 -8.769 1.00 0.00 H new ATOM 1861 N ASP C 17 6.160 -10.494 -7.327 1.00 0.00 N ATOM 1862 CA ASP C 17 4.843 -10.819 -7.851 1.00 0.00 C ATOM 1863 C ASP C 17 3.784 -9.783 -7.474 1.00 0.00 C ATOM 1864 O ASP C 17 2.626 -9.956 -7.848 1.00 0.00 O ATOM 1865 CB ASP C 17 4.413 -12.199 -7.345 1.00 0.00 C ATOM 1866 CG ASP C 17 5.398 -13.287 -7.758 1.00 0.00 C ATOM 1867 OD1 ASP C 17 5.290 -13.755 -8.914 1.00 0.00 O ATOM 1868 OD2 ASP C 17 6.247 -13.649 -6.915 1.00 0.00 O ATOM 0 H ASP C 17 6.147 -10.158 -6.364 1.00 0.00 H new ATOM 0 HA ASP C 17 4.922 -10.819 -8.938 1.00 0.00 H new ATOM 0 HB2 ASP C 17 4.330 -12.178 -6.258 1.00 0.00 H new ATOM 0 HB3 ASP C 17 3.424 -12.437 -7.736 1.00 0.00 H new ATOM 1873 N ILE C 18 4.140 -8.718 -6.746 1.00 0.00 N ATOM 1874 CA ILE C 18 3.146 -7.742 -6.317 1.00 0.00 C ATOM 1875 C ILE C 18 3.636 -6.315 -6.546 1.00 0.00 C ATOM 1876 O ILE C 18 4.818 -6.015 -6.406 1.00 0.00 O ATOM 1877 CB ILE C 18 2.800 -7.942 -4.833 1.00 0.00 C ATOM 1878 CG1 ILE C 18 2.326 -9.367 -4.531 1.00 0.00 C ATOM 1879 CG2 ILE C 18 1.698 -6.964 -4.415 1.00 0.00 C ATOM 1880 CD1 ILE C 18 3.492 -10.213 -4.016 1.00 0.00 C ATOM 0 H ILE C 18 5.095 -8.516 -6.448 1.00 0.00 H new ATOM 0 HA ILE C 18 2.250 -7.898 -6.917 1.00 0.00 H new ATOM 0 HB ILE C 18 3.715 -7.758 -4.269 1.00 0.00 H new ATOM 0 HG12 ILE C 18 1.528 -9.343 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE C 18 1.910 -9.818 -5.432 1.00 0.00 H new ATOM 0 HG21 ILE C 18 1.459 -7.113 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE C 18 2.042 -5.941 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE C 18 0.807 -7.141 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE C 18 3.143 -11.224 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE C 18 4.276 -10.251 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE C 18 3.889 -9.768 -3.104 1.00 0.00 H new ATOM 1892 N THR C 19 2.697 -5.434 -6.898 1.00 0.00 N ATOM 1893 CA THR C 19 2.942 -4.011 -7.080 1.00 0.00 C ATOM 1894 C THR C 19 1.787 -3.255 -6.429 1.00 0.00 C ATOM 1895 O THR C 19 0.679 -3.782 -6.325 1.00 0.00 O ATOM 1896 CB THR C 19 3.057 -3.697 -8.579 1.00 0.00 C ATOM 1897 OG1 THR C 19 4.105 -4.452 -9.145 1.00 0.00 O ATOM 1898 CG2 THR C 19 3.336 -2.222 -8.850 1.00 0.00 C ATOM 0 H THR C 19 1.727 -5.700 -7.067 1.00 0.00 H new ATOM 0 HA THR C 19 3.878 -3.705 -6.613 1.00 0.00 H new ATOM 0 HB THR C 19 2.097 -3.953 -9.027 1.00 0.00 H new ATOM 0 HG1 THR C 19 4.174 -4.250 -10.101 1.00 0.00 H new ATOM 0 HG21 THR C 19 3.408 -2.057 -9.925 1.00 0.00 H new ATOM 0 HG22 THR C 19 2.525 -1.618 -8.443 1.00 0.00 H new ATOM 0 HG23 THR C 19 4.275 -1.936 -8.376 1.00 0.00 H new ATOM 1906 N ILE C 20 2.047 -2.018 -5.997 1.00 0.00 N ATOM 1907 CA ILE C 20 1.084 -1.185 -5.286 1.00 0.00 C ATOM 1908 C ILE C 20 1.056 0.185 -5.948 1.00 0.00 C ATOM 1909 O ILE C 20 2.065 0.628 -6.487 1.00 0.00 O ATOM 1910 CB ILE C 20 1.515 -1.058 -3.816 1.00 0.00 C ATOM 1911 CG1 ILE C 20 1.688 -2.429 -3.148 1.00 0.00 C ATOM 1912 CG2 ILE C 20 0.505 -0.220 -3.030 1.00 0.00 C ATOM 1913 CD1 ILE C 20 0.371 -3.188 -3.001 1.00 0.00 C ATOM 0 H ILE C 20 2.949 -1.563 -6.136 1.00 0.00 H new ATOM 0 HA ILE C 20 0.089 -1.629 -5.322 1.00 0.00 H new ATOM 0 HB ILE C 20 2.483 -0.557 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE C 20 2.384 -3.029 -3.735 1.00 0.00 H new ATOM 0 HG13 ILE C 20 2.136 -2.294 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE C 20 0.827 -0.141 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE C 20 0.441 0.777 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -0.474 -0.697 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE C 20 0.557 -4.150 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -0.318 -2.606 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -0.067 -3.351 -3.986 1.00 0.00 H new ATOM 1925 N THR C 21 -0.097 0.863 -5.914 1.00 0.00 N ATOM 1926 CA THR C 21 -0.246 2.173 -6.535 1.00 0.00 C ATOM 1927 C THR C 21 -1.197 3.041 -5.719 1.00 0.00 C ATOM 1928 O THR C 21 -2.195 2.547 -5.196 1.00 0.00 O ATOM 1929 CB THR C 21 -0.789 1.999 -7.961 1.00 0.00 C ATOM 1930 OG1 THR C 21 0.060 1.160 -8.710 1.00 0.00 O ATOM 1931 CG2 THR C 21 -0.888 3.338 -8.689 1.00 0.00 C ATOM 0 H THR C 21 -0.942 0.519 -5.459 1.00 0.00 H new ATOM 0 HA THR C 21 0.726 2.665 -6.572 1.00 0.00 H new ATOM 0 HB THR C 21 -1.782 1.559 -7.872 1.00 0.00 H new ATOM 0 HG1 THR C 21 0.863 1.657 -8.972 1.00 0.00 H new ATOM 0 HG21 THR C 21 -1.276 3.177 -9.695 1.00 0.00 H new ATOM 0 HG22 THR C 21 -1.560 4.000 -8.143 1.00 0.00 H new ATOM 0 HG23 THR C 21 0.101 3.793 -8.750 1.00 0.00 H new ATOM 1939 N ILE C 22 -0.890 4.335 -5.609 1.00 0.00 N ATOM 1940 CA ILE C 22 -1.743 5.306 -4.941 1.00 0.00 C ATOM 1941 C ILE C 22 -2.559 6.005 -6.027 1.00 0.00 C ATOM 1942 O ILE C 22 -2.095 6.962 -6.638 1.00 0.00 O ATOM 1943 CB ILE C 22 -0.888 6.264 -4.089 1.00 0.00 C ATOM 1944 CG1 ILE C 22 -1.643 7.515 -3.634 1.00 0.00 C ATOM 1945 CG2 ILE C 22 0.381 6.721 -4.817 1.00 0.00 C ATOM 1946 CD1 ILE C 22 -2.858 7.141 -2.797 1.00 0.00 C ATOM 0 H ILE C 22 -0.032 4.737 -5.987 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.433 4.838 -4.239 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.624 5.672 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -0.979 8.154 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.959 8.091 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.947 7.394 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE C 22 0.993 5.853 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE C 22 0.107 7.242 -5.734 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -3.378 8.047 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.531 6.522 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -2.536 6.586 -1.916 1.00 0.00 H new ATOM 1958 N LEU C 23 -3.785 5.530 -6.271 1.00 0.00 N ATOM 1959 CA LEU C 23 -4.592 6.071 -7.359 1.00 0.00 C ATOM 1960 C LEU C 23 -5.002 7.513 -7.050 1.00 0.00 C ATOM 1961 O LEU C 23 -5.259 8.291 -7.968 1.00 0.00 O ATOM 1962 CB LEU C 23 -5.835 5.207 -7.643 1.00 0.00 C ATOM 1963 CG LEU C 23 -5.668 3.714 -7.339 1.00 0.00 C ATOM 1964 CD1 LEU C 23 -7.011 3.026 -7.573 1.00 0.00 C ATOM 1965 CD2 LEU C 23 -4.617 3.069 -8.238 1.00 0.00 C ATOM 0 H LEU C 23 -4.231 4.784 -5.737 1.00 0.00 H new ATOM 0 HA LEU C 23 -3.977 6.059 -8.259 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.668 5.591 -7.055 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -6.106 5.321 -8.693 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.339 3.603 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.916 1.961 -7.362 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -7.762 3.461 -6.913 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.315 3.165 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -4.528 2.011 -7.992 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -4.916 3.175 -9.281 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -3.656 3.560 -8.084 1.00 0.00 H new ATOM 1977 N GLY C 24 -5.057 7.867 -5.762 1.00 0.00 N ATOM 1978 CA GLY C 24 -5.318 9.236 -5.333 1.00 0.00 C ATOM 1979 C GLY C 24 -5.917 9.284 -3.932 1.00 0.00 C ATOM 1980 O GLY C 24 -5.918 8.280 -3.226 1.00 0.00 O ATOM 0 H GLY C 24 -4.922 7.211 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -4.389 9.806 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -6.000 9.714 -6.037 1.00 0.00 H new ATOM 1984 N VAL C 25 -6.430 10.450 -3.527 1.00 0.00 N ATOM 1985 CA VAL C 25 -7.093 10.612 -2.235 1.00 0.00 C ATOM 1986 C VAL C 25 -8.424 11.337 -2.420 1.00 0.00 C ATOM 1987 O VAL C 25 -8.715 11.850 -3.499 1.00 0.00 O ATOM 1988 CB VAL C 25 -6.189 11.329 -1.214 1.00 0.00 C ATOM 1989 CG1 VAL C 25 -4.751 10.817 -1.280 1.00 0.00 C ATOM 1990 CG2 VAL C 25 -6.173 12.846 -1.391 1.00 0.00 C ATOM 0 H VAL C 25 -6.396 11.303 -4.085 1.00 0.00 H new ATOM 0 HA VAL C 25 -7.294 9.622 -1.826 1.00 0.00 H new ATOM 0 HB VAL C 25 -6.622 11.101 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -4.143 11.345 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -4.735 9.749 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -4.348 10.991 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -5.519 13.293 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -5.806 13.092 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -7.183 13.237 -1.270 1.00 0.00 H new ATOM 2000 N SER C 26 -9.238 11.383 -1.361 1.00 0.00 N ATOM 2001 CA SER C 26 -10.548 12.016 -1.390 1.00 0.00 C ATOM 2002 C SER C 26 -10.779 12.722 -0.057 1.00 0.00 C ATOM 2003 O SER C 26 -11.834 12.594 0.561 1.00 0.00 O ATOM 2004 CB SER C 26 -11.620 10.958 -1.651 1.00 0.00 C ATOM 2005 OG SER C 26 -12.768 11.547 -2.222 1.00 0.00 O ATOM 0 H SER C 26 -8.999 10.977 -0.456 1.00 0.00 H new ATOM 0 HA SER C 26 -10.601 12.753 -2.191 1.00 0.00 H new ATOM 0 HB2 SER C 26 -11.227 10.191 -2.319 1.00 0.00 H new ATOM 0 HB3 SER C 26 -11.885 10.462 -0.717 1.00 0.00 H new ATOM 0 HG SER C 26 -13.444 10.856 -2.384 1.00 0.00 H new ATOM 2011 N GLY C 27 -9.765 13.470 0.378 1.00 0.00 N ATOM 2012 CA GLY C 27 -9.727 14.056 1.703 1.00 0.00 C ATOM 2013 C GLY C 27 -8.717 13.273 2.529 1.00 0.00 C ATOM 2014 O GLY C 27 -7.688 12.846 2.003 1.00 0.00 O ATOM 0 H GLY C 27 -8.944 13.683 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY C 27 -9.443 15.107 1.648 1.00 0.00 H new ATOM 0 HA3 GLY C 27 -10.713 14.016 2.167 1.00 0.00 H new ATOM 2018 N GLN C 28 -8.993 13.073 3.818 1.00 0.00 N ATOM 2019 CA GLN C 28 -8.125 12.257 4.652 1.00 0.00 C ATOM 2020 C GLN C 28 -8.277 10.767 4.340 1.00 0.00 C ATOM 2021 O GLN C 28 -7.490 9.958 4.828 1.00 0.00 O ATOM 2022 CB GLN C 28 -8.380 12.568 6.126 1.00 0.00 C ATOM 2023 CG GLN C 28 -7.178 13.311 6.716 1.00 0.00 C ATOM 2024 CD GLN C 28 -6.931 14.649 6.018 1.00 0.00 C ATOM 2025 OE1 GLN C 28 -7.527 15.659 6.376 1.00 0.00 O ATOM 2026 NE2 GLN C 28 -6.055 14.661 5.018 1.00 0.00 N ATOM 0 H GLN C 28 -9.804 13.463 4.299 1.00 0.00 H new ATOM 0 HA GLN C 28 -7.088 12.508 4.427 1.00 0.00 H new ATOM 0 HB2 GLN C 28 -9.280 13.174 6.229 1.00 0.00 H new ATOM 0 HB3 GLN C 28 -8.554 11.644 6.677 1.00 0.00 H new ATOM 0 HG2 GLN C 28 -7.344 13.482 7.779 1.00 0.00 H new ATOM 0 HG3 GLN C 28 -6.288 12.687 6.629 1.00 0.00 H new ATOM 0 HE21 GLN C 28 -5.578 13.801 4.748 1.00 0.00 H new ATOM 0 HE22 GLN C 28 -5.860 15.530 4.521 1.00 0.00 H new ATOM 2035 N GLN C 29 -9.277 10.387 3.535 1.00 0.00 N ATOM 2036 CA GLN C 29 -9.347 9.036 3.006 1.00 0.00 C ATOM 2037 C GLN C 29 -8.432 8.935 1.789 1.00 0.00 C ATOM 2038 O GLN C 29 -8.098 9.942 1.172 1.00 0.00 O ATOM 2039 CB GLN C 29 -10.782 8.615 2.678 1.00 0.00 C ATOM 2040 CG GLN C 29 -11.409 9.374 1.515 1.00 0.00 C ATOM 2041 CD GLN C 29 -12.666 8.657 1.037 1.00 0.00 C ATOM 2042 OE1 GLN C 29 -12.760 8.258 -0.120 1.00 0.00 O ATOM 2043 NE2 GLN C 29 -13.643 8.479 1.921 1.00 0.00 N ATOM 0 H GLN C 29 -10.040 10.998 3.242 1.00 0.00 H new ATOM 0 HA GLN C 29 -9.005 8.340 3.772 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -10.792 7.549 2.448 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -11.401 8.756 3.564 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -11.656 10.390 1.825 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -10.694 9.455 0.696 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -13.536 8.822 2.876 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -14.500 8.000 1.645 1.00 0.00 H new ATOM 2052 N VAL C 30 -8.027 7.713 1.444 1.00 0.00 N ATOM 2053 CA VAL C 30 -7.025 7.454 0.421 1.00 0.00 C ATOM 2054 C VAL C 30 -7.499 6.285 -0.435 1.00 0.00 C ATOM 2055 O VAL C 30 -8.199 5.405 0.064 1.00 0.00 O ATOM 2056 CB VAL C 30 -5.692 7.148 1.118 1.00 0.00 C ATOM 2057 CG1 VAL C 30 -4.587 6.820 0.121 1.00 0.00 C ATOM 2058 CG2 VAL C 30 -5.230 8.352 1.939 1.00 0.00 C ATOM 0 H VAL C 30 -8.394 6.865 1.876 1.00 0.00 H new ATOM 0 HA VAL C 30 -6.882 8.316 -0.230 1.00 0.00 H new ATOM 0 HB VAL C 30 -5.870 6.284 1.758 1.00 0.00 H new ATOM 0 HG11 VAL C 30 -3.662 6.610 0.659 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -4.873 5.946 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -4.435 7.669 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL C 30 -4.284 8.118 2.427 1.00 0.00 H new ATOM 0 HG22 VAL C 30 -5.097 9.211 1.282 1.00 0.00 H new ATOM 0 HG23 VAL C 30 -5.980 8.586 2.695 1.00 0.00 H new ATOM 2068 N ARG C 31 -7.123 6.272 -1.716 1.00 0.00 N ATOM 2069 CA ARG C 31 -7.542 5.240 -2.651 1.00 0.00 C ATOM 2070 C ARG C 31 -6.309 4.578 -3.243 1.00 0.00 C ATOM 2071 O ARG C 31 -5.450 5.239 -3.825 1.00 0.00 O ATOM 2072 CB ARG C 31 -8.416 5.871 -3.730 1.00 0.00 C ATOM 2073 CG ARG C 31 -9.193 4.801 -4.489 1.00 0.00 C ATOM 2074 CD ARG C 31 -10.046 5.502 -5.542 1.00 0.00 C ATOM 2075 NE ARG C 31 -11.051 4.598 -6.108 1.00 0.00 N ATOM 2076 CZ ARG C 31 -11.427 4.604 -7.392 1.00 0.00 C ATOM 2077 NH1 ARG C 31 -10.855 5.411 -8.277 1.00 0.00 N ATOM 2078 NH2 ARG C 31 -12.393 3.794 -7.802 1.00 0.00 N ATOM 0 H ARG C 31 -6.518 6.981 -2.129 1.00 0.00 H new ATOM 0 HA ARG C 31 -8.129 4.473 -2.145 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -9.110 6.578 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -7.794 6.437 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -8.509 4.094 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -9.822 4.229 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -10.541 6.364 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -9.405 5.880 -6.339 1.00 0.00 H new ATOM 0 HE ARG C 31 -11.491 3.922 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -10.112 6.045 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -11.159 5.397 -9.251 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -12.849 3.167 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -12.681 3.798 -8.781 1.00 0.00 H new ATOM 2092 N ILE C 32 -6.239 3.258 -3.079 1.00 0.00 N ATOM 2093 CA ILE C 32 -5.030 2.494 -3.355 1.00 0.00 C ATOM 2094 C ILE C 32 -5.382 1.272 -4.191 1.00 0.00 C ATOM 2095 O ILE C 32 -6.432 0.659 -4.003 1.00 0.00 O ATOM 2096 CB ILE C 32 -4.399 2.072 -2.016 1.00 0.00 C ATOM 2097 CG1 ILE C 32 -4.163 3.295 -1.118 1.00 0.00 C ATOM 2098 CG2 ILE C 32 -3.078 1.340 -2.256 1.00 0.00 C ATOM 2099 CD1 ILE C 32 -3.661 2.909 0.274 1.00 0.00 C ATOM 0 H ILE C 32 -7.021 2.691 -2.751 1.00 0.00 H new ATOM 0 HA ILE C 32 -4.316 3.099 -3.914 1.00 0.00 H new ATOM 0 HB ILE C 32 -5.091 1.397 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -3.438 3.956 -1.592 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -5.092 3.857 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -2.645 1.048 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.259 0.450 -2.859 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -2.387 1.999 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE C 32 -3.510 3.810 0.869 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -4.397 2.271 0.762 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -2.717 2.371 0.184 1.00 0.00 H new ATOM 2111 N GLY C 33 -4.489 0.921 -5.114 1.00 0.00 N ATOM 2112 CA GLY C 33 -4.664 -0.228 -5.981 1.00 0.00 C ATOM 2113 C GLY C 33 -3.533 -1.216 -5.754 1.00 0.00 C ATOM 2114 O GLY C 33 -2.457 -0.847 -5.280 1.00 0.00 O ATOM 0 H GLY C 33 -3.622 1.432 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -5.623 -0.705 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -4.679 0.090 -7.024 1.00 0.00 H new ATOM 2118 N ILE C 34 -3.789 -2.476 -6.096 1.00 0.00 N ATOM 2119 CA ILE C 34 -2.863 -3.567 -5.880 1.00 0.00 C ATOM 2120 C ILE C 34 -2.831 -4.390 -7.154 1.00 0.00 C ATOM 2121 O ILE C 34 -3.836 -4.494 -7.854 1.00 0.00 O ATOM 2122 CB ILE C 34 -3.309 -4.403 -4.672 1.00 0.00 C ATOM 2123 CG1 ILE C 34 -3.449 -3.507 -3.437 1.00 0.00 C ATOM 2124 CG2 ILE C 34 -2.301 -5.520 -4.401 1.00 0.00 C ATOM 2125 CD1 ILE C 34 -4.113 -4.248 -2.277 1.00 0.00 C ATOM 0 H ILE C 34 -4.662 -2.765 -6.538 1.00 0.00 H new ATOM 0 HA ILE C 34 -1.861 -3.200 -5.657 1.00 0.00 H new ATOM 0 HB ILE C 34 -4.277 -4.853 -4.894 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -2.465 -3.155 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -4.038 -2.626 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -2.629 -6.105 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -2.231 -6.167 -5.276 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -1.324 -5.085 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -4.195 -3.581 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.108 -4.577 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -3.510 -5.115 -2.006 1.00 0.00 H new ATOM 2137 N ASN C 35 -1.677 -4.974 -7.452 1.00 0.00 N ATOM 2138 CA ASN C 35 -1.471 -5.686 -8.696 1.00 0.00 C ATOM 2139 C ASN C 35 -0.687 -6.954 -8.398 1.00 0.00 C ATOM 2140 O ASN C 35 0.542 -6.947 -8.365 1.00 0.00 O ATOM 2141 CB ASN C 35 -0.745 -4.774 -9.680 1.00 0.00 C ATOM 2142 CG ASN C 35 -0.577 -5.425 -11.046 1.00 0.00 C ATOM 2143 OD1 ASN C 35 -1.170 -6.461 -11.331 1.00 0.00 O ATOM 2144 ND2 ASN C 35 0.238 -4.816 -11.903 1.00 0.00 N ATOM 0 H ASN C 35 -0.863 -4.965 -6.837 1.00 0.00 H new ATOM 0 HA ASN C 35 -2.418 -5.971 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -1.301 -3.843 -9.788 1.00 0.00 H new ATOM 0 HB3 ASN C 35 0.235 -4.515 -9.279 1.00 0.00 H new ATOM 0 HD21 ASN C 35 0.387 -5.209 -12.832 1.00 0.00 H new ATOM 0 HD22 ASN C 35 0.714 -3.956 -11.631 1.00 0.00 H new ATOM 2151 N ALA C 36 -1.422 -8.046 -8.181 1.00 0.00 N ATOM 2152 CA ALA C 36 -0.846 -9.325 -7.817 1.00 0.00 C ATOM 2153 C ALA C 36 -1.593 -10.462 -8.506 1.00 0.00 C ATOM 2154 O ALA C 36 -2.748 -10.299 -8.898 1.00 0.00 O ATOM 2155 CB ALA C 36 -0.953 -9.496 -6.302 1.00 0.00 C ATOM 0 H ALA C 36 -2.439 -8.059 -8.255 1.00 0.00 H new ATOM 0 HA ALA C 36 0.197 -9.352 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -0.523 -10.455 -6.013 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -0.411 -8.691 -5.806 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -2.001 -9.464 -6.005 1.00 0.00 H new ATOM 2161 N PRO C 37 -0.942 -11.621 -8.658 1.00 0.00 N ATOM 2162 CA PRO C 37 -1.570 -12.822 -9.169 1.00 0.00 C ATOM 2163 C PRO C 37 -2.627 -13.325 -8.195 1.00 0.00 C ATOM 2164 O PRO C 37 -2.576 -13.015 -7.007 1.00 0.00 O ATOM 2165 CB PRO C 37 -0.434 -13.837 -9.294 1.00 0.00 C ATOM 2166 CG PRO C 37 0.618 -13.360 -8.301 1.00 0.00 C ATOM 2167 CD PRO C 37 0.456 -11.847 -8.340 1.00 0.00 C ATOM 0 HA PRO C 37 -2.074 -12.650 -10.120 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -0.775 -14.845 -9.057 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -0.037 -13.865 -10.309 1.00 0.00 H new ATOM 0 HG2 PRO C 37 0.443 -13.760 -7.302 1.00 0.00 H new ATOM 0 HG3 PRO C 37 1.621 -13.667 -8.596 1.00 0.00 H new ATOM 0 HD2 PRO C 37 0.719 -11.398 -7.382 1.00 0.00 H new ATOM 0 HD3 PRO C 37 1.108 -11.401 -9.091 1.00 0.00 H new ATOM 2175 N LYS C 38 -3.592 -14.103 -8.688 1.00 0.00 N ATOM 2176 CA LYS C 38 -4.595 -14.730 -7.834 1.00 0.00 C ATOM 2177 C LYS C 38 -3.947 -15.804 -6.961 1.00 0.00 C ATOM 2178 O LYS C 38 -4.602 -16.426 -6.128 1.00 0.00 O ATOM 2179 CB LYS C 38 -5.716 -15.309 -8.702 1.00 0.00 C ATOM 2180 CG LYS C 38 -6.302 -14.250 -9.645 1.00 0.00 C ATOM 2181 CD LYS C 38 -6.859 -13.038 -8.900 1.00 0.00 C ATOM 2182 CE LYS C 38 -8.124 -13.376 -8.107 1.00 0.00 C ATOM 2183 NZ LYS C 38 -9.246 -13.697 -9.008 1.00 0.00 N ATOM 0 H LYS C 38 -3.698 -14.313 -9.680 1.00 0.00 H new ATOM 0 HA LYS C 38 -5.030 -13.984 -7.169 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -5.330 -16.144 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -6.505 -15.705 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.529 -13.920 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -7.095 -14.700 -10.242 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -6.099 -12.651 -8.221 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -7.081 -12.245 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -7.929 -14.222 -7.449 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -8.394 -12.533 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -10.136 -13.689 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -9.294 -12.989 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -9.100 -14.640 -9.422 1.00 0.00 H new ATOM 2197 N ASP C 39 -2.642 -16.009 -7.164 1.00 0.00 N ATOM 2198 CA ASP C 39 -1.801 -16.893 -6.370 1.00 0.00 C ATOM 2199 C ASP C 39 -1.588 -16.344 -4.960 1.00 0.00 C ATOM 2200 O ASP C 39 -1.019 -17.029 -4.113 1.00 0.00 O ATOM 2201 CB ASP C 39 -0.447 -17.030 -7.070 1.00 0.00 C ATOM 2202 CG ASP C 39 -0.551 -17.930 -8.295 1.00 0.00 C ATOM 2203 OD1 ASP C 39 -0.391 -19.159 -8.125 1.00 0.00 O ATOM 2204 OD2 ASP C 39 -0.786 -17.385 -9.397 1.00 0.00 O ATOM 0 H ASP C 39 -2.129 -15.545 -7.914 1.00 0.00 H new ATOM 0 HA ASP C 39 -2.294 -17.861 -6.282 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -0.087 -16.045 -7.368 1.00 0.00 H new ATOM 0 HB3 ASP C 39 0.285 -17.440 -6.375 1.00 0.00 H new ATOM 2209 N VAL C 40 -2.044 -15.115 -4.698 1.00 0.00 N ATOM 2210 CA VAL C 40 -1.914 -14.474 -3.395 1.00 0.00 C ATOM 2211 C VAL C 40 -3.203 -13.734 -3.067 1.00 0.00 C ATOM 2212 O VAL C 40 -4.005 -13.437 -3.954 1.00 0.00 O ATOM 2213 CB VAL C 40 -0.715 -13.511 -3.364 1.00 0.00 C ATOM 2214 CG1 VAL C 40 0.571 -14.205 -3.819 1.00 0.00 C ATOM 2215 CG2 VAL C 40 -0.951 -12.313 -4.274 1.00 0.00 C ATOM 0 H VAL C 40 -2.517 -14.537 -5.393 1.00 0.00 H new ATOM 0 HA VAL C 40 -1.735 -15.243 -2.643 1.00 0.00 H new ATOM 0 HB VAL C 40 -0.609 -13.180 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL C 40 1.398 -13.496 -3.785 1.00 0.00 H new ATOM 0 HG12 VAL C 40 0.785 -15.045 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL C 40 0.447 -14.569 -4.839 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -0.088 -11.649 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -1.095 -12.657 -5.298 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.839 -11.774 -3.944 1.00 0.00 H new ATOM 2225 N ALA C 41 -3.407 -13.430 -1.785 1.00 0.00 N ATOM 2226 CA ALA C 41 -4.631 -12.802 -1.324 1.00 0.00 C ATOM 2227 C ALA C 41 -4.369 -11.355 -0.911 1.00 0.00 C ATOM 2228 O ALA C 41 -3.295 -11.039 -0.403 1.00 0.00 O ATOM 2229 CB ALA C 41 -5.155 -13.604 -0.132 1.00 0.00 C ATOM 0 H ALA C 41 -2.729 -13.614 -1.046 1.00 0.00 H new ATOM 0 HA ALA C 41 -5.368 -12.791 -2.127 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -6.077 -13.152 0.234 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -5.353 -14.630 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -4.410 -13.603 0.663 1.00 0.00 H new ATOM 2235 N VAL C 42 -5.349 -10.473 -1.130 1.00 0.00 N ATOM 2236 CA VAL C 42 -5.240 -9.071 -0.732 1.00 0.00 C ATOM 2237 C VAL C 42 -6.609 -8.551 -0.294 1.00 0.00 C ATOM 2238 O VAL C 42 -7.586 -8.661 -1.037 1.00 0.00 O ATOM 2239 CB VAL C 42 -4.671 -8.219 -1.883 1.00 0.00 C ATOM 2240 CG1 VAL C 42 -3.253 -8.664 -2.237 1.00 0.00 C ATOM 2241 CG2 VAL C 42 -5.500 -8.311 -3.162 1.00 0.00 C ATOM 0 H VAL C 42 -6.231 -10.710 -1.584 1.00 0.00 H new ATOM 0 HA VAL C 42 -4.550 -8.995 0.109 1.00 0.00 H new ATOM 0 HB VAL C 42 -4.689 -7.192 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -2.871 -8.049 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -2.608 -8.552 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -3.266 -9.709 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -5.048 -7.689 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -5.531 -9.346 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -6.514 -7.963 -2.964 1.00 0.00 H new ATOM 2251 N HIS C 43 -6.696 -7.983 0.914 1.00 0.00 N ATOM 2252 CA HIS C 43 -7.954 -7.433 1.409 1.00 0.00 C ATOM 2253 C HIS C 43 -7.726 -6.409 2.514 1.00 0.00 C ATOM 2254 O HIS C 43 -6.624 -6.286 3.050 1.00 0.00 O ATOM 2255 CB HIS C 43 -8.862 -8.529 1.989 1.00 0.00 C ATOM 2256 CG HIS C 43 -8.784 -9.883 1.333 1.00 0.00 C ATOM 2257 ND1 HIS C 43 -9.699 -10.378 0.405 1.00 0.00 N ATOM 2258 CD2 HIS C 43 -7.811 -10.818 1.553 1.00 0.00 C ATOM 2259 CE1 HIS C 43 -9.262 -11.606 0.090 1.00 0.00 C ATOM 2260 NE2 HIS C 43 -8.135 -11.894 0.760 1.00 0.00 N ATOM 0 H HIS C 43 -5.912 -7.894 1.561 1.00 0.00 H new ATOM 0 HA HIS C 43 -8.428 -6.962 0.548 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -8.622 -8.647 3.046 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -9.894 -8.182 1.934 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -10.527 -9.905 0.042 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -6.962 -10.730 2.214 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -9.750 -12.272 -0.607 1.00 0.00 H new ATOM 2268 N ARG C 44 -8.787 -5.672 2.851 1.00 0.00 N ATOM 2269 CA ARG C 44 -8.811 -4.805 4.016 1.00 0.00 C ATOM 2270 C ARG C 44 -8.852 -5.666 5.273 1.00 0.00 C ATOM 2271 O ARG C 44 -9.225 -6.834 5.208 1.00 0.00 O ATOM 2272 CB ARG C 44 -10.057 -3.922 3.953 1.00 0.00 C ATOM 2273 CG ARG C 44 -9.880 -2.829 2.894 1.00 0.00 C ATOM 2274 CD ARG C 44 -11.204 -2.122 2.614 1.00 0.00 C ATOM 2275 NE ARG C 44 -12.129 -3.007 1.897 1.00 0.00 N ATOM 2276 CZ ARG C 44 -13.367 -3.318 2.291 1.00 0.00 C ATOM 2277 NH1 ARG C 44 -13.874 -2.843 3.425 1.00 0.00 N ATOM 2278 NH2 ARG C 44 -14.109 -4.119 1.530 1.00 0.00 N ATOM 0 H ARG C 44 -9.655 -5.665 2.316 1.00 0.00 H new ATOM 0 HA ARG C 44 -7.921 -4.176 4.036 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -10.930 -4.530 3.716 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -10.239 -3.468 4.927 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -9.141 -2.104 3.234 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -9.496 -3.268 1.973 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -11.655 -1.802 3.553 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -11.023 -1.223 2.024 1.00 0.00 H new ATOM 0 HE ARG C 44 -11.799 -3.419 1.024 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -13.315 -2.227 4.015 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -14.822 -3.095 3.705 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -13.731 -4.488 0.657 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -15.056 -4.364 1.819 1.00 0.00 H new ATOM 2292 N GLU C 45 -8.473 -5.096 6.421 1.00 0.00 N ATOM 2293 CA GLU C 45 -8.514 -5.800 7.695 1.00 0.00 C ATOM 2294 C GLU C 45 -9.901 -6.374 7.978 1.00 0.00 C ATOM 2295 O GLU C 45 -10.020 -7.340 8.726 1.00 0.00 O ATOM 2296 CB GLU C 45 -8.135 -4.827 8.816 1.00 0.00 C ATOM 2297 CG GLU C 45 -6.634 -4.529 8.824 1.00 0.00 C ATOM 2298 CD GLU C 45 -5.811 -5.690 9.382 1.00 0.00 C ATOM 2299 OE1 GLU C 45 -6.414 -6.709 9.788 1.00 0.00 O ATOM 2300 OE2 GLU C 45 -4.567 -5.548 9.399 1.00 0.00 O ATOM 0 H GLU C 45 -8.131 -4.137 6.488 1.00 0.00 H new ATOM 0 HA GLU C 45 -7.808 -6.629 7.648 1.00 0.00 H new ATOM 0 HB2 GLU C 45 -8.690 -3.897 8.693 1.00 0.00 H new ATOM 0 HB3 GLU C 45 -8.427 -5.248 9.778 1.00 0.00 H new ATOM 0 HG2 GLU C 45 -6.305 -4.309 7.808 1.00 0.00 H new ATOM 0 HG3 GLU C 45 -6.447 -3.636 9.420 1.00 0.00 H new ATOM 2307 N GLU C 46 -10.957 -5.801 7.391 1.00 0.00 N ATOM 2308 CA GLU C 46 -12.306 -6.305 7.598 1.00 0.00 C ATOM 2309 C GLU C 46 -12.486 -7.651 6.900 1.00 0.00 C ATOM 2310 O GLU C 46 -12.814 -8.645 7.546 1.00 0.00 O ATOM 2311 CB GLU C 46 -13.309 -5.277 7.066 1.00 0.00 C ATOM 2312 CG GLU C 46 -14.758 -5.733 7.264 1.00 0.00 C ATOM 2313 CD GLU C 46 -15.093 -5.975 8.737 1.00 0.00 C ATOM 2314 OE1 GLU C 46 -14.811 -5.070 9.555 1.00 0.00 O ATOM 2315 OE2 GLU C 46 -15.634 -7.065 9.032 1.00 0.00 O ATOM 0 H GLU C 46 -10.898 -4.992 6.773 1.00 0.00 H new ATOM 0 HA GLU C 46 -12.480 -6.458 8.663 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -13.156 -4.325 7.574 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -13.125 -5.106 6.005 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -15.433 -4.979 6.859 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -14.929 -6.650 6.699 1.00 0.00 H new ATOM 2322 N ILE C 47 -12.271 -7.699 5.580 1.00 0.00 N ATOM 2323 CA ILE C 47 -12.447 -8.938 4.828 1.00 0.00 C ATOM 2324 C ILE C 47 -11.392 -9.941 5.259 1.00 0.00 C ATOM 2325 O ILE C 47 -11.649 -11.143 5.275 1.00 0.00 O ATOM 2326 CB ILE C 47 -12.333 -8.668 3.321 1.00 0.00 C ATOM 2327 CG1 ILE C 47 -13.600 -8.065 2.719 1.00 0.00 C ATOM 2328 CG2 ILE C 47 -12.074 -9.964 2.546 1.00 0.00 C ATOM 2329 CD1 ILE C 47 -14.054 -6.812 3.463 1.00 0.00 C ATOM 0 H ILE C 47 -11.978 -6.900 5.018 1.00 0.00 H new ATOM 0 HA ILE C 47 -13.438 -9.343 5.031 1.00 0.00 H new ATOM 0 HB ILE C 47 -11.507 -7.963 3.229 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -13.421 -7.819 1.672 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -14.398 -8.807 2.740 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -11.998 -9.742 1.481 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -11.143 -10.414 2.890 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -12.897 -10.659 2.714 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -14.958 -6.420 2.998 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -14.260 -7.062 4.504 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -13.268 -6.058 3.420 1.00 0.00 H new ATOM 2341 N TYR C 48 -10.200 -9.456 5.609 1.00 0.00 N ATOM 2342 CA TYR C 48 -9.097 -10.318 5.986 1.00 0.00 C ATOM 2343 C TYR C 48 -9.479 -11.246 7.128 1.00 0.00 C ATOM 2344 O TYR C 48 -8.971 -12.359 7.214 1.00 0.00 O ATOM 2345 CB TYR C 48 -7.916 -9.463 6.437 1.00 0.00 C ATOM 2346 CG TYR C 48 -6.735 -10.312 6.821 1.00 0.00 C ATOM 2347 CD1 TYR C 48 -5.902 -10.864 5.838 1.00 0.00 C ATOM 2348 CD2 TYR C 48 -6.493 -10.546 8.178 1.00 0.00 C ATOM 2349 CE1 TYR C 48 -4.824 -11.676 6.216 1.00 0.00 C ATOM 2350 CE2 TYR C 48 -5.424 -11.356 8.565 1.00 0.00 C ATOM 2351 CZ TYR C 48 -4.580 -11.924 7.584 1.00 0.00 C ATOM 2352 OH TYR C 48 -3.532 -12.715 7.960 1.00 0.00 O ATOM 0 H TYR C 48 -9.980 -8.460 5.637 1.00 0.00 H new ATOM 0 HA TYR C 48 -8.834 -10.920 5.116 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -7.631 -8.783 5.635 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -8.214 -8.848 7.286 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -6.090 -10.664 4.793 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -7.132 -10.101 8.926 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -4.182 -12.110 5.464 1.00 0.00 H new ATOM 0 HE2 TYR C 48 -5.242 -11.548 9.612 1.00 0.00 H new ATOM 0 HH TYR C 48 -3.506 -12.781 8.937 1.00 0.00 H new