USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 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= -0.0938 X(o=-0.094,f=-0.43) USER MOD Set 1.2: C 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 29 GLN : amide:sc= 0.107 X(o=0.26,f=-0.21) USER MOD Set 2.2: C 5 THR OG1 : rot 145:sc= 0.15 USER MOD Set 3.1: A 13 ASN : amide:sc= -0.703 K(o=-0.7,f=-1.7) USER MOD Set 3.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -132:sc= -0.752 (180deg=-2.18!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.026 (180deg=-0.329) USER MOD Single : A 26 SER OG : rot -57:sc= 0.148 USER MOD Single : A 28 GLN : amide:sc= -0.732 X(o=-0.73,f=-0.73) USER MOD Single : A 35 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.6) USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= -0.0024 (180deg=-0.164) USER MOD Single : A 43 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-2.4) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 178:sc= -0.0526 (180deg=-0.0546) USER MOD Single : C 1 MET N :NH3+ -100:sc= 0.0786 (180deg=0) USER MOD Single : C 7 LYS NZ :NH3+ 163:sc= -0.0276 (180deg=-0.288) USER MOD Single : C 11 SER OG : rot 180:sc= 0 USER MOD Single : C 21 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : C 26 SER OG : rot 180:sc=-0.000552 USER MOD Single : C 28 GLN : amide:sc= -0.858 X(o=-0.86,f=-0.86) USER MOD Single : C 29 GLN : amide:sc= -0.0947 X(o=-0.095,f=-0.095) USER MOD Single : C 35 ASN : amide:sc=-0.000373 K(o=-0.00037,f=-1.3) USER MOD Single : C 38 LYS NZ :NH3+ 154:sc= -0.0684 (180deg=-0.458) USER MOD Single : C 43 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-1.8) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.223 10.320 -2.968 1.00 0.00 N ATOM 2 CA MET A 1 -7.611 9.052 -3.417 1.00 0.00 C ATOM 3 C MET A 1 -6.379 9.317 -4.262 1.00 0.00 C ATOM 4 O MET A 1 -6.449 10.078 -5.225 1.00 0.00 O ATOM 5 CB MET A 1 -8.587 8.211 -4.244 1.00 0.00 C ATOM 6 CG MET A 1 -8.883 6.893 -3.545 1.00 0.00 C ATOM 7 SD MET A 1 -7.437 5.827 -3.342 1.00 0.00 S ATOM 8 CE MET A 1 -8.131 4.371 -4.158 1.00 0.00 C ATOM 0 H1 MET A 1 -9.064 10.115 -2.392 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.536 10.855 -2.399 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.500 10.884 -3.797 1.00 0.00 H new ATOM 0 HA MET A 1 -7.339 8.503 -2.516 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.514 8.764 -4.396 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.165 8.019 -5.230 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.308 7.102 -2.563 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.642 6.355 -4.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.960 3.491 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.202 4.511 -4.302 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.650 4.232 -5.126 1.00 0.00 H new ATOM 20 N LEU A 2 -5.253 8.691 -3.907 1.00 0.00 N ATOM 21 CA LEU A 2 -4.013 8.815 -4.646 1.00 0.00 C ATOM 22 C LEU A 2 -3.565 7.409 -5.031 1.00 0.00 C ATOM 23 O LEU A 2 -3.227 6.602 -4.169 1.00 0.00 O ATOM 24 CB LEU A 2 -3.016 9.584 -3.769 1.00 0.00 C ATOM 25 CG LEU A 2 -1.697 9.960 -4.451 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.725 8.787 -4.467 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.896 10.453 -5.883 1.00 0.00 C ATOM 0 H LEU A 2 -5.186 8.082 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 2 -4.111 9.381 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.496 10.497 -3.416 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -2.792 8.981 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.281 10.775 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.200 9.088 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.509 8.479 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.170 7.953 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.929 10.706 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.367 9.669 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.534 11.337 -5.878 1.00 0.00 H new ATOM 39 N ILE A 3 -3.571 7.130 -6.336 1.00 0.00 N ATOM 40 CA ILE A 3 -3.327 5.804 -6.883 1.00 0.00 C ATOM 41 C ILE A 3 -2.006 5.816 -7.639 1.00 0.00 C ATOM 42 O ILE A 3 -1.711 6.764 -8.370 1.00 0.00 O ATOM 43 CB ILE A 3 -4.463 5.394 -7.830 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.789 5.229 -7.092 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.157 4.048 -8.481 1.00 0.00 C ATOM 46 CD1 ILE A 3 -6.509 6.561 -6.952 1.00 0.00 C ATOM 0 H ILE A 3 -3.749 7.835 -7.051 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.283 5.083 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.542 6.189 -8.571 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.423 4.525 -7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.608 4.805 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.973 3.773 -9.149 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.231 4.122 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.048 3.287 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.450 6.412 -6.422 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.883 7.256 -6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.711 6.971 -7.941 1.00 0.00 H new ATOM 58 N LEU A 4 -1.214 4.757 -7.468 1.00 0.00 N ATOM 59 CA LEU A 4 0.039 4.593 -8.179 1.00 0.00 C ATOM 60 C LEU A 4 0.484 3.135 -8.162 1.00 0.00 C ATOM 61 O LEU A 4 -0.089 2.318 -7.439 1.00 0.00 O ATOM 62 CB LEU A 4 1.094 5.543 -7.592 1.00 0.00 C ATOM 63 CG LEU A 4 1.070 5.735 -6.075 1.00 0.00 C ATOM 64 CD1 LEU A 4 1.555 4.496 -5.328 1.00 0.00 C ATOM 65 CD2 LEU A 4 1.999 6.903 -5.768 1.00 0.00 C ATOM 0 H LEU A 4 -1.430 3.991 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.097 4.860 -9.227 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.080 5.174 -7.874 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.973 6.519 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 4 0.047 5.920 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.520 4.681 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.913 3.650 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 4 2.580 4.271 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.017 7.081 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.006 6.668 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.640 7.797 -6.278 1.00 0.00 H new ATOM 77 N THR A 5 1.506 2.806 -8.959 1.00 0.00 N ATOM 78 CA THR A 5 2.024 1.447 -9.015 1.00 0.00 C ATOM 79 C THR A 5 3.360 1.336 -8.299 1.00 0.00 C ATOM 80 O THR A 5 4.077 2.318 -8.117 1.00 0.00 O ATOM 81 CB THR A 5 2.229 0.957 -10.448 1.00 0.00 C ATOM 82 OG1 THR A 5 2.952 1.903 -11.195 1.00 0.00 O ATOM 83 CG2 THR A 5 0.912 0.637 -11.152 1.00 0.00 C ATOM 0 H THR A 5 1.986 3.466 -9.571 1.00 0.00 H new ATOM 0 HA THR A 5 1.272 0.829 -8.525 1.00 0.00 H new ATOM 0 HB THR A 5 2.799 0.030 -10.383 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.076 1.573 -12.109 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.116 0.294 -12.166 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.386 -0.144 -10.603 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.293 1.533 -11.190 1.00 0.00 H new ATOM 91 N ARG A 6 3.674 0.101 -7.900 1.00 0.00 N ATOM 92 CA ARG A 6 4.932 -0.257 -7.270 1.00 0.00 C ATOM 93 C ARG A 6 5.287 -1.679 -7.698 1.00 0.00 C ATOM 94 O ARG A 6 4.394 -2.449 -8.056 1.00 0.00 O ATOM 95 CB ARG A 6 4.729 -0.192 -5.752 1.00 0.00 C ATOM 96 CG ARG A 6 6.025 -0.248 -4.939 1.00 0.00 C ATOM 97 CD ARG A 6 6.843 1.040 -5.007 1.00 0.00 C ATOM 98 NE ARG A 6 7.597 1.184 -6.258 1.00 0.00 N ATOM 99 CZ ARG A 6 8.511 2.142 -6.445 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.771 3.028 -5.491 1.00 0.00 N ATOM 101 NH2 ARG A 6 9.174 2.213 -7.594 1.00 0.00 N ATOM 0 H ARG A 6 3.041 -0.691 -8.012 1.00 0.00 H new ATOM 0 HA ARG A 6 5.737 0.418 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.200 0.729 -5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.087 -1.019 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.782 -0.460 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.635 -1.076 -5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.174 1.893 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.538 1.066 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 6 7.416 0.526 -7.016 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.271 2.983 -4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.471 3.754 -5.646 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.986 1.537 -8.334 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.871 2.944 -7.736 1.00 0.00 H new ATOM 115 N LYS A 7 6.570 -2.035 -7.665 1.00 0.00 N ATOM 116 CA LYS A 7 7.008 -3.386 -7.989 1.00 0.00 C ATOM 117 C LYS A 7 7.351 -4.113 -6.700 1.00 0.00 C ATOM 118 O LYS A 7 7.732 -3.486 -5.712 1.00 0.00 O ATOM 119 CB LYS A 7 8.254 -3.330 -8.879 1.00 0.00 C ATOM 120 CG LYS A 7 7.970 -3.074 -10.359 1.00 0.00 C ATOM 121 CD LYS A 7 7.252 -4.274 -10.970 1.00 0.00 C ATOM 122 CE LYS A 7 7.126 -4.162 -12.486 1.00 0.00 C ATOM 123 NZ LYS A 7 8.443 -4.126 -13.142 1.00 0.00 N ATOM 0 H LYS A 7 7.327 -1.399 -7.415 1.00 0.00 H new ATOM 0 HA LYS A 7 6.212 -3.910 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.914 -2.545 -8.508 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.794 -4.272 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.358 -2.179 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.904 -2.890 -10.890 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.794 -5.186 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.258 -4.363 -10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.553 -5.008 -12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.569 -3.260 -12.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.333 -4.338 -14.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.861 -3.180 -13.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.068 -4.834 -12.706 1.00 0.00 H new ATOM 137 N VAL A 8 7.217 -5.437 -6.701 1.00 0.00 N ATOM 138 CA VAL A 8 7.537 -6.237 -5.526 1.00 0.00 C ATOM 139 C VAL A 8 8.984 -5.984 -5.113 1.00 0.00 C ATOM 140 O VAL A 8 9.900 -6.086 -5.933 1.00 0.00 O ATOM 141 CB VAL A 8 7.268 -7.718 -5.790 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.762 -7.938 -5.955 1.00 0.00 C ATOM 143 CG2 VAL A 8 7.961 -8.239 -7.051 1.00 0.00 C ATOM 0 H VAL A 8 6.889 -5.976 -7.502 1.00 0.00 H new ATOM 0 HA VAL A 8 6.892 -5.940 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 8 7.668 -8.264 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.567 -8.994 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.248 -7.631 -5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.398 -7.346 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.731 -9.296 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.608 -7.680 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.039 -8.112 -6.952 1.00 0.00 H new ATOM 153 N GLY A 9 9.195 -5.657 -3.837 1.00 0.00 N ATOM 154 CA GLY A 9 10.527 -5.396 -3.309 1.00 0.00 C ATOM 155 C GLY A 9 10.855 -3.902 -3.239 1.00 0.00 C ATOM 156 O GLY A 9 11.994 -3.543 -2.949 1.00 0.00 O ATOM 0 H GLY A 9 8.449 -5.567 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.609 -5.828 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.266 -5.897 -3.935 1.00 0.00 H new ATOM 160 N GLU A 10 9.870 -3.031 -3.497 1.00 0.00 N ATOM 161 CA GLU A 10 10.066 -1.582 -3.462 1.00 0.00 C ATOM 162 C GLU A 10 9.152 -0.947 -2.409 1.00 0.00 C ATOM 163 O GLU A 10 8.431 -1.656 -1.709 1.00 0.00 O ATOM 164 CB GLU A 10 9.814 -0.988 -4.854 1.00 0.00 C ATOM 165 CG GLU A 10 10.772 -1.543 -5.907 1.00 0.00 C ATOM 166 CD GLU A 10 12.234 -1.226 -5.588 1.00 0.00 C ATOM 167 OE1 GLU A 10 12.490 -0.122 -5.052 1.00 0.00 O ATOM 168 OE2 GLU A 10 13.088 -2.091 -5.881 1.00 0.00 O ATOM 0 H GLU A 10 8.919 -3.313 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 10 11.096 -1.364 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.787 -1.197 -5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.918 0.096 -4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.644 -2.623 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.517 -1.127 -6.882 1.00 0.00 H new ATOM 175 N SER A 11 9.173 0.387 -2.291 1.00 0.00 N ATOM 176 CA SER A 11 8.485 1.065 -1.198 1.00 0.00 C ATOM 177 C SER A 11 7.759 2.341 -1.620 1.00 0.00 C ATOM 178 O SER A 11 7.921 2.837 -2.735 1.00 0.00 O ATOM 179 CB SER A 11 9.504 1.403 -0.109 1.00 0.00 C ATOM 180 OG SER A 11 10.200 0.243 0.305 1.00 0.00 O ATOM 0 H SER A 11 9.657 1.010 -2.937 1.00 0.00 H new ATOM 0 HA SER A 11 7.718 0.381 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.211 2.143 -0.484 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.996 1.852 0.744 1.00 0.00 H new ATOM 0 HG SER A 11 10.848 0.481 1.001 1.00 0.00 H new ATOM 186 N ILE A 12 6.949 2.855 -0.688 1.00 0.00 N ATOM 187 CA ILE A 12 6.153 4.072 -0.801 1.00 0.00 C ATOM 188 C ILE A 12 6.241 4.770 0.561 1.00 0.00 C ATOM 189 O ILE A 12 6.636 4.134 1.536 1.00 0.00 O ATOM 190 CB ILE A 12 4.695 3.692 -1.138 1.00 0.00 C ATOM 191 CG1 ILE A 12 4.552 2.969 -2.488 1.00 0.00 C ATOM 192 CG2 ILE A 12 3.777 4.917 -1.139 1.00 0.00 C ATOM 193 CD1 ILE A 12 4.914 3.835 -3.696 1.00 0.00 C ATOM 0 H ILE A 12 6.828 2.402 0.218 1.00 0.00 H new ATOM 0 HA ILE A 12 6.513 4.732 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 12 4.394 3.003 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.188 2.084 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.524 2.623 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.760 4.609 -1.380 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.791 5.383 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.126 5.632 -1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.788 3.255 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.261 4.708 -3.727 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.951 4.160 -3.613 1.00 0.00 H new ATOM 205 N ASN A 13 5.890 6.058 0.660 1.00 0.00 N ATOM 206 CA ASN A 13 6.009 6.784 1.920 1.00 0.00 C ATOM 207 C ASN A 13 4.769 7.641 2.183 1.00 0.00 C ATOM 208 O ASN A 13 4.123 8.098 1.240 1.00 0.00 O ATOM 209 CB ASN A 13 7.276 7.639 1.873 1.00 0.00 C ATOM 210 CG ASN A 13 7.680 8.080 3.272 1.00 0.00 C ATOM 211 OD1 ASN A 13 7.096 8.998 3.839 1.00 0.00 O ATOM 212 ND2 ASN A 13 8.690 7.420 3.829 1.00 0.00 N ATOM 0 H ASN A 13 5.524 6.612 -0.115 1.00 0.00 H new ATOM 0 HA ASN A 13 6.081 6.075 2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.087 7.071 1.417 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.107 8.514 1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.009 7.671 4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.147 6.663 3.321 1.00 0.00 H new ATOM 219 N ILE A 14 4.449 7.852 3.468 1.00 0.00 N ATOM 220 CA ILE A 14 3.258 8.581 3.900 1.00 0.00 C ATOM 221 C ILE A 14 3.538 9.366 5.185 1.00 0.00 C ATOM 222 O ILE A 14 4.253 8.890 6.064 1.00 0.00 O ATOM 223 CB ILE A 14 2.115 7.587 4.170 1.00 0.00 C ATOM 224 CG1 ILE A 14 1.794 6.783 2.903 1.00 0.00 C ATOM 225 CG2 ILE A 14 0.866 8.327 4.669 1.00 0.00 C ATOM 226 CD1 ILE A 14 0.656 5.790 3.116 1.00 0.00 C ATOM 0 H ILE A 14 5.020 7.515 4.243 1.00 0.00 H new ATOM 0 HA ILE A 14 2.978 9.277 3.109 1.00 0.00 H new ATOM 0 HB ILE A 14 2.437 6.893 4.947 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.528 7.469 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.686 6.245 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.068 7.609 4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.101 8.856 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.541 9.043 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.469 5.247 2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.930 5.085 3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.246 6.327 3.410 1.00 0.00 H new ATOM 238 N GLY A 15 2.964 10.573 5.288 1.00 0.00 N ATOM 239 CA GLY A 15 2.986 11.393 6.495 1.00 0.00 C ATOM 240 C GLY A 15 4.381 11.653 7.053 1.00 0.00 C ATOM 241 O GLY A 15 4.502 12.014 8.220 1.00 0.00 O ATOM 0 H GLY A 15 2.462 11.010 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.510 12.349 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.386 10.905 7.263 1.00 0.00 H new ATOM 245 N ASP A 16 5.424 11.470 6.234 1.00 0.00 N ATOM 246 CA ASP A 16 6.831 11.616 6.593 1.00 0.00 C ATOM 247 C ASP A 16 7.238 10.950 7.917 1.00 0.00 C ATOM 248 O ASP A 16 8.295 11.271 8.462 1.00 0.00 O ATOM 249 CB ASP A 16 7.271 13.080 6.469 1.00 0.00 C ATOM 250 CG ASP A 16 6.560 14.022 7.440 1.00 0.00 C ATOM 251 OD1 ASP A 16 7.057 14.170 8.578 1.00 0.00 O ATOM 252 OD2 ASP A 16 5.519 14.588 7.037 1.00 0.00 O ATOM 0 H ASP A 16 5.299 11.203 5.257 1.00 0.00 H new ATOM 0 HA ASP A 16 7.396 11.039 5.861 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.346 13.142 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.089 13.419 5.449 1.00 0.00 H new ATOM 257 N ASP A 17 6.420 10.032 8.438 1.00 0.00 N ATOM 258 CA ASP A 17 6.762 9.208 9.593 1.00 0.00 C ATOM 259 C ASP A 17 6.316 7.765 9.361 1.00 0.00 C ATOM 260 O ASP A 17 6.408 6.936 10.267 1.00 0.00 O ATOM 261 CB ASP A 17 6.134 9.738 10.890 1.00 0.00 C ATOM 262 CG ASP A 17 6.582 11.159 11.231 1.00 0.00 C ATOM 263 OD1 ASP A 17 7.790 11.331 11.522 1.00 0.00 O ATOM 264 OD2 ASP A 17 5.717 12.063 11.203 1.00 0.00 O ATOM 0 H ASP A 17 5.491 9.840 8.063 1.00 0.00 H new ATOM 0 HA ASP A 17 7.845 9.248 9.707 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.048 9.717 10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.396 9.073 11.713 1.00 0.00 H new ATOM 269 N ILE A 18 5.834 7.462 8.151 1.00 0.00 N ATOM 270 CA ILE A 18 5.364 6.131 7.806 1.00 0.00 C ATOM 271 C ILE A 18 5.927 5.734 6.449 1.00 0.00 C ATOM 272 O ILE A 18 6.115 6.576 5.573 1.00 0.00 O ATOM 273 CB ILE A 18 3.828 6.083 7.770 1.00 0.00 C ATOM 274 CG1 ILE A 18 3.198 6.527 9.098 1.00 0.00 C ATOM 275 CG2 ILE A 18 3.363 4.658 7.460 1.00 0.00 C ATOM 276 CD1 ILE A 18 2.844 8.012 9.038 1.00 0.00 C ATOM 0 H ILE A 18 5.762 8.137 7.389 1.00 0.00 H new ATOM 0 HA ILE A 18 5.707 5.430 8.567 1.00 0.00 H new ATOM 0 HB ILE A 18 3.505 6.775 6.993 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.303 5.939 9.300 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.892 6.343 9.918 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.274 4.628 7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.757 4.349 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.727 3.980 8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.398 8.318 9.984 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.748 8.594 8.858 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.134 8.184 8.229 1.00 0.00 H new ATOM 288 N THR A 19 6.191 4.439 6.285 1.00 0.00 N ATOM 289 CA THR A 19 6.687 3.879 5.040 1.00 0.00 C ATOM 290 C THR A 19 5.955 2.570 4.783 1.00 0.00 C ATOM 291 O THR A 19 5.479 1.930 5.720 1.00 0.00 O ATOM 292 CB THR A 19 8.201 3.656 5.140 1.00 0.00 C ATOM 293 OG1 THR A 19 8.822 4.809 5.666 1.00 0.00 O ATOM 294 CG2 THR A 19 8.827 3.365 3.778 1.00 0.00 C ATOM 0 H THR A 19 6.064 3.746 7.023 1.00 0.00 H new ATOM 0 HA THR A 19 6.506 4.562 4.210 1.00 0.00 H new ATOM 0 HB THR A 19 8.354 2.796 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.789 4.660 5.729 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.900 3.214 3.896 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.378 2.466 3.356 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.651 4.207 3.109 1.00 0.00 H new ATOM 302 N ILE A 20 5.866 2.173 3.514 1.00 0.00 N ATOM 303 CA ILE A 20 5.163 0.969 3.105 1.00 0.00 C ATOM 304 C ILE A 20 6.079 0.188 2.176 1.00 0.00 C ATOM 305 O ILE A 20 6.789 0.793 1.375 1.00 0.00 O ATOM 306 CB ILE A 20 3.868 1.357 2.373 1.00 0.00 C ATOM 307 CG1 ILE A 20 2.967 2.281 3.204 1.00 0.00 C ATOM 308 CG2 ILE A 20 3.091 0.107 1.949 1.00 0.00 C ATOM 309 CD1 ILE A 20 2.392 1.592 4.442 1.00 0.00 C ATOM 0 H ILE A 20 6.285 2.686 2.738 1.00 0.00 H new ATOM 0 HA ILE A 20 4.901 0.360 3.970 1.00 0.00 H new ATOM 0 HB ILE A 20 4.169 1.915 1.487 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.539 3.156 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.148 2.639 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.178 0.404 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.707 -0.495 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.835 -0.479 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.763 2.294 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.795 0.733 4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.207 1.257 5.084 1.00 0.00 H new ATOM 321 N THR A 21 6.065 -1.141 2.275 1.00 0.00 N ATOM 322 CA THR A 21 6.901 -1.981 1.427 1.00 0.00 C ATOM 323 C THR A 21 6.079 -3.138 0.874 1.00 0.00 C ATOM 324 O THR A 21 5.542 -3.943 1.632 1.00 0.00 O ATOM 325 CB THR A 21 8.100 -2.500 2.224 1.00 0.00 C ATOM 326 OG1 THR A 21 8.712 -1.454 2.944 1.00 0.00 O ATOM 327 CG2 THR A 21 9.140 -3.098 1.279 1.00 0.00 C ATOM 0 H THR A 21 5.483 -1.656 2.935 1.00 0.00 H new ATOM 0 HA THR A 21 7.274 -1.390 0.590 1.00 0.00 H new ATOM 0 HB THR A 21 7.735 -3.259 2.916 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.475 -1.806 3.448 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.989 -3.464 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.695 -3.924 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.479 -2.333 0.581 1.00 0.00 H new ATOM 335 N ILE A 22 5.983 -3.214 -0.452 1.00 0.00 N ATOM 336 CA ILE A 22 5.287 -4.286 -1.147 1.00 0.00 C ATOM 337 C ILE A 22 6.205 -5.510 -1.168 1.00 0.00 C ATOM 338 O ILE A 22 7.029 -5.666 -2.067 1.00 0.00 O ATOM 339 CB ILE A 22 4.850 -3.792 -2.534 1.00 0.00 C ATOM 340 CG1 ILE A 22 4.325 -4.896 -3.447 1.00 0.00 C ATOM 341 CG2 ILE A 22 5.976 -3.082 -3.281 1.00 0.00 C ATOM 342 CD1 ILE A 22 3.261 -5.744 -2.759 1.00 0.00 C ATOM 0 H ILE A 22 6.393 -2.522 -1.079 1.00 0.00 H new ATOM 0 HA ILE A 22 4.370 -4.585 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 22 4.039 -3.098 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.907 -4.452 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.152 -5.534 -3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.615 -2.753 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.306 -2.218 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.812 -3.768 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.914 -6.518 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.686 -6.210 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.421 -5.111 -2.471 1.00 0.00 H new ATOM 354 N LEU A 23 6.066 -6.386 -0.170 1.00 0.00 N ATOM 355 CA LEU A 23 7.009 -7.479 0.034 1.00 0.00 C ATOM 356 C LEU A 23 6.923 -8.521 -1.075 1.00 0.00 C ATOM 357 O LEU A 23 7.915 -9.186 -1.374 1.00 0.00 O ATOM 358 CB LEU A 23 6.764 -8.138 1.395 1.00 0.00 C ATOM 359 CG LEU A 23 6.685 -7.125 2.541 1.00 0.00 C ATOM 360 CD1 LEU A 23 6.664 -7.878 3.863 1.00 0.00 C ATOM 361 CD2 LEU A 23 7.886 -6.184 2.569 1.00 0.00 C ATOM 0 H LEU A 23 5.306 -6.356 0.509 1.00 0.00 H new ATOM 0 HA LEU A 23 8.013 -7.055 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.836 -8.708 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.565 -8.848 1.599 1.00 0.00 H new ATOM 0 HG LEU A 23 5.782 -6.534 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.608 -7.166 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.796 -8.537 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.573 -8.472 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.782 -5.486 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.800 -6.764 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.935 -5.629 1.632 1.00 0.00 H new ATOM 373 N GLY A 24 5.750 -8.672 -1.699 1.00 0.00 N ATOM 374 CA GLY A 24 5.598 -9.594 -2.811 1.00 0.00 C ATOM 375 C GLY A 24 4.134 -9.907 -3.105 1.00 0.00 C ATOM 376 O GLY A 24 3.243 -9.380 -2.444 1.00 0.00 O ATOM 0 H GLY A 24 4.900 -8.167 -1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.062 -9.167 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.128 -10.520 -2.588 1.00 0.00 H new ATOM 380 N VAL A 25 3.893 -10.768 -4.096 1.00 0.00 N ATOM 381 CA VAL A 25 2.541 -11.184 -4.454 1.00 0.00 C ATOM 382 C VAL A 25 2.363 -12.680 -4.241 1.00 0.00 C ATOM 383 O VAL A 25 3.329 -13.434 -4.120 1.00 0.00 O ATOM 384 CB VAL A 25 2.207 -10.809 -5.908 1.00 0.00 C ATOM 385 CG1 VAL A 25 2.320 -9.296 -6.113 1.00 0.00 C ATOM 386 CG2 VAL A 25 3.101 -11.546 -6.903 1.00 0.00 C ATOM 0 H VAL A 25 4.624 -11.192 -4.667 1.00 0.00 H new ATOM 0 HA VAL A 25 1.849 -10.653 -3.800 1.00 0.00 H new ATOM 0 HB VAL A 25 1.178 -11.116 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.080 -9.050 -7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.623 -8.786 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.337 -8.974 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.833 -11.254 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.144 -11.290 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.965 -12.621 -6.787 1.00 0.00 H new ATOM 396 N SER A 26 1.098 -13.093 -4.198 1.00 0.00 N ATOM 397 CA SER A 26 0.679 -14.476 -4.023 1.00 0.00 C ATOM 398 C SER A 26 -0.664 -14.616 -4.728 1.00 0.00 C ATOM 399 O SER A 26 -1.674 -14.978 -4.125 1.00 0.00 O ATOM 400 CB SER A 26 0.573 -14.788 -2.532 1.00 0.00 C ATOM 401 OG SER A 26 0.210 -16.138 -2.329 1.00 0.00 O ATOM 0 H SER A 26 0.312 -12.449 -4.287 1.00 0.00 H new ATOM 0 HA SER A 26 1.394 -15.181 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.527 -14.585 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.167 -14.134 -2.070 1.00 0.00 H new ATOM 0 HG SER A 26 -0.638 -16.321 -2.785 1.00 0.00 H new ATOM 407 N GLY A 27 -0.666 -14.320 -6.032 1.00 0.00 N ATOM 408 CA GLY A 27 -1.889 -14.312 -6.807 1.00 0.00 C ATOM 409 C GLY A 27 -2.736 -13.108 -6.413 1.00 0.00 C ATOM 410 O GLY A 27 -2.216 -12.002 -6.287 1.00 0.00 O ATOM 0 H GLY A 27 0.172 -14.084 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.657 -14.273 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.446 -15.233 -6.636 1.00 0.00 H new ATOM 414 N GLN A 28 -4.039 -13.319 -6.215 1.00 0.00 N ATOM 415 CA GLN A 28 -4.932 -12.257 -5.778 1.00 0.00 C ATOM 416 C GLN A 28 -4.593 -11.795 -4.363 1.00 0.00 C ATOM 417 O GLN A 28 -5.137 -10.788 -3.916 1.00 0.00 O ATOM 418 CB GLN A 28 -6.390 -12.723 -5.858 1.00 0.00 C ATOM 419 CG GLN A 28 -6.929 -12.584 -7.286 1.00 0.00 C ATOM 420 CD GLN A 28 -5.971 -13.142 -8.335 1.00 0.00 C ATOM 421 OE1 GLN A 28 -5.877 -14.351 -8.523 1.00 0.00 O ATOM 422 NE2 GLN A 28 -5.249 -12.258 -9.024 1.00 0.00 N ATOM 0 H GLN A 28 -4.495 -14.221 -6.352 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.798 -11.406 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.462 -13.762 -5.537 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.002 -12.135 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.885 -13.102 -7.361 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.119 -11.532 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.354 -11.260 -8.840 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.592 -12.580 -9.735 1.00 0.00 H new ATOM 431 N GLN A 29 -3.713 -12.502 -3.651 1.00 0.00 N ATOM 432 CA GLN A 29 -3.258 -12.063 -2.348 1.00 0.00 C ATOM 433 C GLN A 29 -1.923 -11.356 -2.511 1.00 0.00 C ATOM 434 O GLN A 29 -1.132 -11.693 -3.390 1.00 0.00 O ATOM 435 CB GLN A 29 -3.158 -13.264 -1.406 1.00 0.00 C ATOM 436 CG GLN A 29 -2.762 -12.806 -0.004 1.00 0.00 C ATOM 437 CD GLN A 29 -2.912 -13.923 1.017 1.00 0.00 C ATOM 438 OE1 GLN A 29 -3.737 -13.832 1.920 1.00 0.00 O ATOM 439 NE2 GLN A 29 -2.119 -14.980 0.878 1.00 0.00 N ATOM 0 H GLN A 29 -3.305 -13.383 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.967 -11.362 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.114 -13.786 -1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.422 -13.973 -1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.729 -12.458 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.381 -11.959 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.446 -15.016 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.183 -15.756 1.537 1.00 0.00 H new ATOM 448 N VAL A 30 -1.666 -10.371 -1.655 1.00 0.00 N ATOM 449 CA VAL A 30 -0.430 -9.610 -1.708 1.00 0.00 C ATOM 450 C VAL A 30 0.105 -9.460 -0.292 1.00 0.00 C ATOM 451 O VAL A 30 -0.671 -9.191 0.626 1.00 0.00 O ATOM 452 CB VAL A 30 -0.724 -8.237 -2.324 1.00 0.00 C ATOM 453 CG1 VAL A 30 0.563 -7.440 -2.515 1.00 0.00 C ATOM 454 CG2 VAL A 30 -1.393 -8.377 -3.691 1.00 0.00 C ATOM 0 H VAL A 30 -2.304 -10.083 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 30 0.316 -10.118 -2.319 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.391 -7.719 -1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.329 -6.470 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.047 -7.294 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.234 -7.986 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.589 -7.387 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.734 -8.926 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.333 -8.918 -3.582 1.00 0.00 H new ATOM 464 N ARG A 31 1.420 -9.630 -0.108 1.00 0.00 N ATOM 465 CA ARG A 31 2.026 -9.471 1.206 1.00 0.00 C ATOM 466 C ARG A 31 2.675 -8.097 1.254 1.00 0.00 C ATOM 467 O ARG A 31 3.439 -7.727 0.362 1.00 0.00 O ATOM 468 CB ARG A 31 3.039 -10.580 1.494 1.00 0.00 C ATOM 469 CG ARG A 31 3.317 -10.632 3.004 1.00 0.00 C ATOM 470 CD ARG A 31 4.463 -11.586 3.370 1.00 0.00 C ATOM 471 NE ARG A 31 4.266 -12.934 2.813 1.00 0.00 N ATOM 472 CZ ARG A 31 3.995 -14.030 3.533 1.00 0.00 C ATOM 473 NH1 ARG A 31 3.838 -13.972 4.852 1.00 0.00 N ATOM 474 NH2 ARG A 31 3.877 -15.205 2.924 1.00 0.00 N ATOM 0 H ARG A 31 2.075 -9.876 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 31 1.263 -9.550 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.653 -11.540 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.964 -10.394 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.559 -9.630 3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.411 -10.944 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.404 -11.177 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.546 -11.652 4.455 1.00 0.00 H new ATOM 0 HE ARG A 31 4.342 -13.042 1.802 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.924 -13.079 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.632 -14.821 5.379 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.993 -15.269 1.913 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.671 -16.043 3.468 1.00 0.00 H new ATOM 488 N ILE A 32 2.365 -7.343 2.307 1.00 0.00 N ATOM 489 CA ILE A 32 2.759 -5.948 2.417 1.00 0.00 C ATOM 490 C ILE A 32 3.299 -5.697 3.819 1.00 0.00 C ATOM 491 O ILE A 32 2.903 -6.369 4.768 1.00 0.00 O ATOM 492 CB ILE A 32 1.538 -5.051 2.145 1.00 0.00 C ATOM 493 CG1 ILE A 32 0.609 -5.646 1.071 1.00 0.00 C ATOM 494 CG2 ILE A 32 2.025 -3.655 1.750 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.555 -4.714 0.729 1.00 0.00 C ATOM 0 H ILE A 32 1.833 -7.687 3.107 1.00 0.00 H new ATOM 0 HA ILE A 32 3.535 -5.716 1.687 1.00 0.00 H new ATOM 0 HB ILE A 32 0.944 -4.984 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.185 -5.851 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.216 -6.600 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.167 -3.012 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.618 -3.233 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.638 -3.724 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.181 -5.178 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.149 -4.530 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.165 -3.769 0.352 1.00 0.00 H new ATOM 507 N GLY A 33 4.202 -4.727 3.942 1.00 0.00 N ATOM 508 CA GLY A 33 4.783 -4.349 5.214 1.00 0.00 C ATOM 509 C GLY A 33 4.560 -2.868 5.456 1.00 0.00 C ATOM 510 O GLY A 33 4.370 -2.098 4.514 1.00 0.00 O ATOM 0 H GLY A 33 4.549 -4.182 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.333 -4.931 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.850 -4.572 5.218 1.00 0.00 H new ATOM 514 N ILE A 34 4.582 -2.469 6.724 1.00 0.00 N ATOM 515 CA ILE A 34 4.356 -1.090 7.124 1.00 0.00 C ATOM 516 C ILE A 34 5.385 -0.750 8.187 1.00 0.00 C ATOM 517 O ILE A 34 5.748 -1.600 9.002 1.00 0.00 O ATOM 518 CB ILE A 34 2.930 -0.932 7.672 1.00 0.00 C ATOM 519 CG1 ILE A 34 1.910 -1.395 6.622 1.00 0.00 C ATOM 520 CG2 ILE A 34 2.684 0.531 8.057 1.00 0.00 C ATOM 521 CD1 ILE A 34 0.480 -1.352 7.154 1.00 0.00 C ATOM 0 H ILE A 34 4.759 -3.100 7.506 1.00 0.00 H new ATOM 0 HA ILE A 34 4.459 -0.415 6.275 1.00 0.00 H new ATOM 0 HB ILE A 34 2.813 -1.552 8.561 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.987 -0.762 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.149 -2.411 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.671 0.640 8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.400 0.831 8.822 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.805 1.164 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.207 -1.688 6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.395 -2.006 8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.230 -0.331 7.443 1.00 0.00 H new ATOM 533 N ASN A 35 5.855 0.495 8.183 1.00 0.00 N ATOM 534 CA ASN A 35 6.879 0.928 9.113 1.00 0.00 C ATOM 535 C ASN A 35 6.550 2.334 9.607 1.00 0.00 C ATOM 536 O ASN A 35 6.681 3.308 8.869 1.00 0.00 O ATOM 537 CB ASN A 35 8.238 0.863 8.411 1.00 0.00 C ATOM 538 CG ASN A 35 9.401 1.065 9.375 1.00 0.00 C ATOM 539 OD1 ASN A 35 9.209 1.266 10.572 1.00 0.00 O ATOM 540 ND2 ASN A 35 10.621 1.010 8.851 1.00 0.00 N ATOM 0 H ASN A 35 5.537 1.220 7.540 1.00 0.00 H new ATOM 0 HA ASN A 35 6.918 0.276 9.986 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.343 -0.103 7.917 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.278 1.625 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.439 1.137 9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.740 0.841 7.852 1.00 0.00 H new ATOM 547 N ALA A 36 6.121 2.416 10.867 1.00 0.00 N ATOM 548 CA ALA A 36 5.735 3.658 11.512 1.00 0.00 C ATOM 549 C ALA A 36 6.022 3.532 13.006 1.00 0.00 C ATOM 550 O ALA A 36 6.107 2.417 13.521 1.00 0.00 O ATOM 551 CB ALA A 36 4.239 3.880 11.295 1.00 0.00 C ATOM 0 H ALA A 36 6.033 1.601 11.474 1.00 0.00 H new ATOM 0 HA ALA A 36 6.292 4.498 11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.936 4.810 11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.031 3.938 10.227 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.681 3.050 11.728 1.00 0.00 H new ATOM 557 N PRO A 37 6.169 4.657 13.716 1.00 0.00 N ATOM 558 CA PRO A 37 6.352 4.641 15.152 1.00 0.00 C ATOM 559 C PRO A 37 5.118 4.016 15.804 1.00 0.00 C ATOM 560 O PRO A 37 4.005 4.187 15.317 1.00 0.00 O ATOM 561 CB PRO A 37 6.546 6.105 15.548 1.00 0.00 C ATOM 562 CG PRO A 37 5.937 6.909 14.398 1.00 0.00 C ATOM 563 CD PRO A 37 6.168 6.010 13.192 1.00 0.00 C ATOM 0 HA PRO A 37 7.207 4.048 15.477 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.049 6.328 16.492 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.602 6.342 15.680 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.877 7.104 14.559 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.425 7.877 14.279 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.383 6.142 12.447 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.114 6.243 12.703 1.00 0.00 H new ATOM 571 N LYS A 38 5.302 3.288 16.911 1.00 0.00 N ATOM 572 CA LYS A 38 4.190 2.652 17.613 1.00 0.00 C ATOM 573 C LYS A 38 3.205 3.699 18.144 1.00 0.00 C ATOM 574 O LYS A 38 2.126 3.368 18.628 1.00 0.00 O ATOM 575 CB LYS A 38 4.757 1.801 18.750 1.00 0.00 C ATOM 576 CG LYS A 38 3.843 0.623 19.094 1.00 0.00 C ATOM 577 CD LYS A 38 3.964 -0.524 18.095 1.00 0.00 C ATOM 578 CE LYS A 38 2.930 -1.605 18.420 1.00 0.00 C ATOM 579 NZ LYS A 38 3.197 -2.233 19.730 1.00 0.00 N ATOM 0 H LYS A 38 6.214 3.126 17.338 1.00 0.00 H new ATOM 0 HA LYS A 38 3.636 2.016 16.923 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.741 1.426 18.467 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.895 2.423 19.634 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.086 0.258 20.092 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.809 0.967 19.124 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.810 -0.154 17.081 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.968 -0.946 18.131 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.932 -1.167 18.422 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.942 -2.367 17.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.613 -3.088 19.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.202 -2.492 19.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.964 -1.563 20.490 1.00 0.00 H new ATOM 593 N ASP A 39 3.602 4.969 18.041 1.00 0.00 N ATOM 594 CA ASP A 39 2.828 6.150 18.379 1.00 0.00 C ATOM 595 C ASP A 39 1.621 6.340 17.454 1.00 0.00 C ATOM 596 O ASP A 39 0.798 7.225 17.687 1.00 0.00 O ATOM 597 CB ASP A 39 3.757 7.359 18.263 1.00 0.00 C ATOM 598 CG ASP A 39 4.756 7.393 19.417 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.377 7.916 20.488 1.00 0.00 O ATOM 600 OD2 ASP A 39 5.887 6.893 19.224 1.00 0.00 O ATOM 0 H ASP A 39 4.532 5.208 17.697 1.00 0.00 H new ATOM 0 HA ASP A 39 2.437 6.038 19.390 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.293 7.321 17.314 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.168 8.276 18.260 1.00 0.00 H new ATOM 605 N VAL A 40 1.509 5.516 16.408 1.00 0.00 N ATOM 606 CA VAL A 40 0.378 5.530 15.485 1.00 0.00 C ATOM 607 C VAL A 40 -0.080 4.098 15.257 1.00 0.00 C ATOM 608 O VAL A 40 0.612 3.162 15.655 1.00 0.00 O ATOM 609 CB VAL A 40 0.738 6.226 14.163 1.00 0.00 C ATOM 610 CG1 VAL A 40 1.259 7.640 14.424 1.00 0.00 C ATOM 611 CG2 VAL A 40 1.809 5.471 13.380 1.00 0.00 C ATOM 0 H VAL A 40 2.212 4.813 16.178 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.439 6.105 15.921 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.179 6.252 13.575 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.509 8.117 13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.491 8.223 14.932 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.150 7.590 15.050 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.027 6.004 12.455 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.716 5.400 13.980 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.450 4.469 13.145 1.00 0.00 H new ATOM 621 N ALA A 41 -1.235 3.908 14.620 1.00 0.00 N ATOM 622 CA ALA A 41 -1.815 2.581 14.486 1.00 0.00 C ATOM 623 C ALA A 41 -1.857 2.133 13.030 1.00 0.00 C ATOM 624 O ALA A 41 -1.855 2.961 12.122 1.00 0.00 O ATOM 625 CB ALA A 41 -3.222 2.607 15.083 1.00 0.00 C ATOM 0 H ALA A 41 -1.782 4.655 14.192 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.194 1.862 15.021 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.674 1.619 14.992 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.166 2.885 16.136 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.831 3.336 14.548 1.00 0.00 H new ATOM 631 N VAL A 42 -1.892 0.813 12.822 1.00 0.00 N ATOM 632 CA VAL A 42 -2.008 0.210 11.498 1.00 0.00 C ATOM 633 C VAL A 42 -2.814 -1.081 11.609 1.00 0.00 C ATOM 634 O VAL A 42 -2.479 -1.947 12.409 1.00 0.00 O ATOM 635 CB VAL A 42 -0.621 -0.063 10.885 1.00 0.00 C ATOM 636 CG1 VAL A 42 0.270 1.178 10.914 1.00 0.00 C ATOM 637 CG2 VAL A 42 0.151 -1.173 11.598 1.00 0.00 C ATOM 0 H VAL A 42 -1.840 0.130 13.578 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.523 0.905 10.835 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.839 -0.368 9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.238 0.941 10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.203 1.979 10.345 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.411 1.501 11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.118 -1.312 11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.304 -0.898 12.642 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.417 -2.102 11.547 1.00 0.00 H new ATOM 647 N HIS A 43 -3.881 -1.227 10.816 1.00 0.00 N ATOM 648 CA HIS A 43 -4.659 -2.459 10.795 1.00 0.00 C ATOM 649 C HIS A 43 -5.398 -2.597 9.473 1.00 0.00 C ATOM 650 O HIS A 43 -5.585 -1.612 8.760 1.00 0.00 O ATOM 651 CB HIS A 43 -5.706 -2.487 11.918 1.00 0.00 C ATOM 652 CG HIS A 43 -5.245 -1.982 13.261 1.00 0.00 C ATOM 653 ND1 HIS A 43 -4.593 -2.749 14.229 1.00 0.00 N ATOM 654 CD2 HIS A 43 -5.401 -0.706 13.722 1.00 0.00 C ATOM 655 CE1 HIS A 43 -4.359 -1.910 15.248 1.00 0.00 C ATOM 656 NE2 HIS A 43 -4.832 -0.682 14.974 1.00 0.00 N ATOM 0 H HIS A 43 -4.221 -0.504 10.182 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.954 -3.279 10.933 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -6.564 -1.893 11.603 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.055 -3.513 12.037 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.347 -3.737 14.173 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.875 0.117 13.208 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -3.858 -2.184 16.165 1.00 0.00 H new ATOM 664 N ARG A 44 -5.823 -3.819 9.145 1.00 0.00 N ATOM 665 CA ARG A 44 -6.665 -4.060 7.986 1.00 0.00 C ATOM 666 C ARG A 44 -8.017 -3.387 8.212 1.00 0.00 C ATOM 667 O ARG A 44 -8.408 -3.159 9.355 1.00 0.00 O ATOM 668 CB ARG A 44 -6.821 -5.569 7.799 1.00 0.00 C ATOM 669 CG ARG A 44 -5.521 -6.140 7.227 1.00 0.00 C ATOM 670 CD ARG A 44 -5.443 -7.649 7.448 1.00 0.00 C ATOM 671 NE ARG A 44 -5.204 -7.957 8.865 1.00 0.00 N ATOM 672 CZ ARG A 44 -5.862 -8.884 9.565 1.00 0.00 C ATOM 673 NH1 ARG A 44 -6.836 -9.603 9.014 1.00 0.00 N ATOM 674 NH2 ARG A 44 -5.536 -9.085 10.838 1.00 0.00 N ATOM 0 H ARG A 44 -5.592 -4.659 9.675 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.218 -3.643 7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.053 -6.044 8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.653 -5.781 7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.462 -5.921 6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.667 -5.655 7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.371 -8.117 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.642 -8.069 6.840 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.482 -7.423 9.349 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.093 -9.451 8.039 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.326 -10.306 9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.792 -8.534 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.030 -9.790 11.386 1.00 0.00 H new ATOM 688 N GLU A 45 -8.732 -3.074 7.134 1.00 0.00 N ATOM 689 CA GLU A 45 -10.005 -2.368 7.215 1.00 0.00 C ATOM 690 C GLU A 45 -11.034 -3.135 8.047 1.00 0.00 C ATOM 691 O GLU A 45 -11.972 -2.543 8.578 1.00 0.00 O ATOM 692 CB GLU A 45 -10.484 -2.073 5.792 1.00 0.00 C ATOM 693 CG GLU A 45 -11.718 -1.170 5.725 1.00 0.00 C ATOM 694 CD GLU A 45 -13.051 -1.919 5.798 1.00 0.00 C ATOM 695 OE1 GLU A 45 -13.038 -3.171 5.756 1.00 0.00 O ATOM 696 OE2 GLU A 45 -14.085 -1.220 5.894 1.00 0.00 O ATOM 0 H GLU A 45 -8.445 -3.303 6.182 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.871 -1.423 7.741 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.672 -1.603 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.709 -3.015 5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.673 -0.452 6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.686 -0.599 4.797 1.00 0.00 H new ATOM 703 N GLU A 46 -10.870 -4.456 8.167 1.00 0.00 N ATOM 704 CA GLU A 46 -11.770 -5.272 8.967 1.00 0.00 C ATOM 705 C GLU A 46 -11.472 -5.090 10.455 1.00 0.00 C ATOM 706 O GLU A 46 -12.394 -4.927 11.253 1.00 0.00 O ATOM 707 CB GLU A 46 -11.589 -6.738 8.572 1.00 0.00 C ATOM 708 CG GLU A 46 -11.972 -6.954 7.108 1.00 0.00 C ATOM 709 CD GLU A 46 -11.676 -8.385 6.669 1.00 0.00 C ATOM 710 OE1 GLU A 46 -12.527 -9.262 6.929 1.00 0.00 O ATOM 711 OE2 GLU A 46 -10.590 -8.587 6.076 1.00 0.00 O ATOM 0 H GLU A 46 -10.118 -4.978 7.717 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.800 -4.964 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.553 -7.037 8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.205 -7.371 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.032 -6.740 6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.421 -6.256 6.478 1.00 0.00 H new ATOM 718 N ILE A 47 -10.191 -5.112 10.840 1.00 0.00 N ATOM 719 CA ILE A 47 -9.787 -4.959 12.232 1.00 0.00 C ATOM 720 C ILE A 47 -10.037 -3.520 12.679 1.00 0.00 C ATOM 721 O ILE A 47 -10.342 -3.266 13.843 1.00 0.00 O ATOM 722 CB ILE A 47 -8.295 -5.310 12.370 1.00 0.00 C ATOM 723 CG1 ILE A 47 -8.044 -6.821 12.430 1.00 0.00 C ATOM 724 CG2 ILE A 47 -7.719 -4.734 13.670 1.00 0.00 C ATOM 725 CD1 ILE A 47 -8.632 -7.611 11.258 1.00 0.00 C ATOM 0 H ILE A 47 -9.412 -5.236 10.194 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.370 -5.630 12.863 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.818 -4.886 11.486 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.969 -6.996 12.466 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.462 -7.209 13.359 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.663 -4.994 13.747 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.826 -3.649 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.258 -5.149 14.522 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.406 -8.670 11.383 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.713 -7.471 11.231 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.196 -7.255 10.324 1.00 0.00 H new ATOM 737 N TYR A 48 -9.910 -2.574 11.748 1.00 0.00 N ATOM 738 CA TYR A 48 -10.068 -1.158 12.027 1.00 0.00 C ATOM 739 C TYR A 48 -11.449 -0.855 12.602 1.00 0.00 C ATOM 740 O TYR A 48 -11.579 0.002 13.472 1.00 0.00 O ATOM 741 CB TYR A 48 -9.835 -0.419 10.713 1.00 0.00 C ATOM 742 CG TYR A 48 -9.904 1.088 10.794 1.00 0.00 C ATOM 743 CD1 TYR A 48 -8.874 1.806 11.420 1.00 0.00 C ATOM 744 CD2 TYR A 48 -10.994 1.766 10.234 1.00 0.00 C ATOM 745 CE1 TYR A 48 -8.911 3.207 11.442 1.00 0.00 C ATOM 746 CE2 TYR A 48 -11.031 3.164 10.240 1.00 0.00 C ATOM 747 CZ TYR A 48 -9.981 3.892 10.831 1.00 0.00 C ATOM 748 OH TYR A 48 -10.003 5.254 10.819 1.00 0.00 O ATOM 0 H TYR A 48 -9.693 -2.777 10.772 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.351 -0.832 12.781 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.855 -0.700 10.327 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.574 -0.761 9.988 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.053 1.280 11.885 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.808 1.208 9.796 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.121 3.761 11.926 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.864 3.685 9.792 1.00 0.00 H new ATOM 0 HH TYR A 48 -10.810 5.564 10.357 1.00 0.00 H new ATOM 1601 N MET C 1 8.615 -3.086 11.658 1.00 0.00 N ATOM 1602 CA MET C 1 7.678 -3.366 10.555 1.00 0.00 C ATOM 1603 C MET C 1 6.468 -4.136 11.068 1.00 0.00 C ATOM 1604 O MET C 1 6.565 -4.850 12.066 1.00 0.00 O ATOM 1605 CB MET C 1 8.356 -4.201 9.468 1.00 0.00 C ATOM 1606 CG MET C 1 7.533 -4.324 8.186 1.00 0.00 C ATOM 1607 SD MET C 1 8.007 -3.179 6.886 1.00 0.00 S ATOM 1608 CE MET C 1 9.402 -4.188 6.352 1.00 0.00 C ATOM 0 H1 MET C 1 8.484 -2.107 11.985 1.00 0.00 H new ATOM 0 H2 MET C 1 8.431 -3.741 12.444 1.00 0.00 H new ATOM 0 H3 MET C 1 9.592 -3.212 11.324 1.00 0.00 H new ATOM 0 HA MET C 1 7.362 -2.409 10.139 1.00 0.00 H new ATOM 0 HB2 MET C 1 9.321 -3.755 9.228 1.00 0.00 H new ATOM 0 HB3 MET C 1 8.554 -5.199 9.859 1.00 0.00 H new ATOM 0 HG2 MET C 1 7.623 -5.342 7.807 1.00 0.00 H new ATOM 0 HG3 MET C 1 6.482 -4.166 8.427 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.885 -3.717 5.495 1.00 0.00 H new ATOM 0 HE2 MET C 1 10.119 -4.278 7.168 1.00 0.00 H new ATOM 0 HE3 MET C 1 9.047 -5.179 6.069 1.00 0.00 H new ATOM 1620 N LEU C 2 5.338 -3.987 10.377 1.00 0.00 N ATOM 1621 CA LEU C 2 4.136 -4.765 10.612 1.00 0.00 C ATOM 1622 C LEU C 2 3.706 -5.332 9.261 1.00 0.00 C ATOM 1623 O LEU C 2 3.229 -4.593 8.400 1.00 0.00 O ATOM 1624 CB LEU C 2 3.095 -3.857 11.279 1.00 0.00 C ATOM 1625 CG LEU C 2 1.808 -4.561 11.723 1.00 0.00 C ATOM 1626 CD1 LEU C 2 0.834 -4.746 10.565 1.00 0.00 C ATOM 1627 CD2 LEU C 2 2.087 -5.924 12.354 1.00 0.00 C ATOM 0 H LEU C 2 5.237 -3.306 9.624 1.00 0.00 H new ATOM 0 HA LEU C 2 4.282 -5.605 11.291 1.00 0.00 H new ATOM 0 HB2 LEU C 2 3.551 -3.385 12.149 1.00 0.00 H new ATOM 0 HB3 LEU C 2 2.833 -3.059 10.584 1.00 0.00 H new ATOM 0 HG LEU C 2 1.357 -3.909 12.471 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -0.065 -5.249 10.922 1.00 0.00 H new ATOM 0 HD12 LEU C 2 0.567 -3.772 10.155 1.00 0.00 H new ATOM 0 HD13 LEU C 2 1.303 -5.350 9.788 1.00 0.00 H new ATOM 0 HD21 LEU C 2 1.146 -6.386 12.653 1.00 0.00 H new ATOM 0 HD22 LEU C 2 2.591 -6.564 11.630 1.00 0.00 H new ATOM 0 HD23 LEU C 2 2.723 -5.796 13.230 1.00 0.00 H new ATOM 1639 N ILE C 3 3.885 -6.644 9.087 1.00 0.00 N ATOM 1640 CA ILE C 3 3.635 -7.328 7.828 1.00 0.00 C ATOM 1641 C ILE C 3 2.317 -8.091 7.896 1.00 0.00 C ATOM 1642 O ILE C 3 1.990 -8.679 8.925 1.00 0.00 O ATOM 1643 CB ILE C 3 4.781 -8.305 7.529 1.00 0.00 C ATOM 1644 CG1 ILE C 3 6.131 -7.603 7.343 1.00 0.00 C ATOM 1645 CG2 ILE C 3 4.496 -9.088 6.244 1.00 0.00 C ATOM 1646 CD1 ILE C 3 6.860 -7.439 8.673 1.00 0.00 C ATOM 0 H ILE C 3 4.212 -7.263 9.829 1.00 0.00 H new ATOM 0 HA ILE C 3 3.575 -6.586 7.032 1.00 0.00 H new ATOM 0 HB ILE C 3 4.840 -8.964 8.395 1.00 0.00 H new ATOM 0 HG12 ILE C 3 6.751 -8.178 6.655 1.00 0.00 H new ATOM 0 HG13 ILE C 3 5.975 -6.625 6.889 1.00 0.00 H new ATOM 0 HG21 ILE C 3 5.318 -9.776 6.047 1.00 0.00 H new ATOM 0 HG22 ILE C 3 3.571 -9.652 6.359 1.00 0.00 H new ATOM 0 HG23 ILE C 3 4.396 -8.394 5.410 1.00 0.00 H new ATOM 0 HD11 ILE C 3 7.813 -6.938 8.506 1.00 0.00 H new ATOM 0 HD12 ILE C 3 6.250 -6.842 9.351 1.00 0.00 H new ATOM 0 HD13 ILE C 3 7.038 -8.420 9.114 1.00 0.00 H new ATOM 1658 N LEU C 4 1.563 -8.080 6.792 1.00 0.00 N ATOM 1659 CA LEU C 4 0.337 -8.847 6.663 1.00 0.00 C ATOM 1660 C LEU C 4 -0.051 -9.002 5.192 1.00 0.00 C ATOM 1661 O LEU C 4 0.578 -8.402 4.320 1.00 0.00 O ATOM 1662 CB LEU C 4 -0.775 -8.206 7.504 1.00 0.00 C ATOM 1663 CG LEU C 4 -0.838 -6.677 7.458 1.00 0.00 C ATOM 1664 CD1 LEU C 4 -1.349 -6.165 6.116 1.00 0.00 C ATOM 1665 CD2 LEU C 4 -1.805 -6.244 8.553 1.00 0.00 C ATOM 0 H LEU C 4 1.794 -7.533 5.963 1.00 0.00 H new ATOM 0 HA LEU C 4 0.497 -9.853 7.050 1.00 0.00 H new ATOM 0 HB2 LEU C 4 -1.734 -8.602 7.169 1.00 0.00 H new ATOM 0 HB3 LEU C 4 -0.647 -8.516 8.541 1.00 0.00 H new ATOM 0 HG LEU C 4 0.163 -6.269 7.600 1.00 0.00 H new ATOM 0 HD11 LEU C 4 -1.377 -5.075 6.129 1.00 0.00 H new ATOM 0 HD12 LEU C 4 -0.684 -6.501 5.321 1.00 0.00 H new ATOM 0 HD13 LEU C 4 -2.352 -6.552 5.937 1.00 0.00 H new ATOM 0 HD21 LEU C 4 -1.884 -5.157 8.560 1.00 0.00 H new ATOM 0 HD22 LEU C 4 -2.787 -6.678 8.364 1.00 0.00 H new ATOM 0 HD23 LEU C 4 -1.437 -6.587 9.520 1.00 0.00 H new ATOM 1677 N THR C 5 -1.083 -9.804 4.912 1.00 0.00 N ATOM 1678 CA THR C 5 -1.570 -9.979 3.549 1.00 0.00 C ATOM 1679 C THR C 5 -2.913 -9.295 3.364 1.00 0.00 C ATOM 1680 O THR C 5 -3.651 -9.061 4.322 1.00 0.00 O ATOM 1681 CB THR C 5 -1.746 -11.455 3.182 1.00 0.00 C ATOM 1682 OG1 THR C 5 -2.517 -12.117 4.160 1.00 0.00 O ATOM 1683 CG2 THR C 5 -0.425 -12.188 2.989 1.00 0.00 C ATOM 0 H THR C 5 -1.594 -10.340 5.614 1.00 0.00 H new ATOM 0 HA THR C 5 -0.816 -9.533 2.900 1.00 0.00 H new ATOM 0 HB THR C 5 -2.264 -11.471 2.223 1.00 0.00 H new ATOM 0 HG1 THR C 5 -3.077 -12.796 3.730 1.00 0.00 H new ATOM 0 HG21 THR C 5 -0.621 -13.229 2.731 1.00 0.00 H new ATOM 0 HG22 THR C 5 0.140 -11.715 2.186 1.00 0.00 H new ATOM 0 HG23 THR C 5 0.153 -12.146 3.912 1.00 0.00 H new ATOM 1691 N ARG C 6 -3.222 -8.979 2.106 1.00 0.00 N ATOM 1692 CA ARG C 6 -4.506 -8.422 1.716 1.00 0.00 C ATOM 1693 C ARG C 6 -4.840 -8.887 0.296 1.00 0.00 C ATOM 1694 O ARG C 6 -3.959 -8.921 -0.562 1.00 0.00 O ATOM 1695 CB ARG C 6 -4.395 -6.896 1.766 1.00 0.00 C ATOM 1696 CG ARG C 6 -5.734 -6.163 1.645 1.00 0.00 C ATOM 1697 CD ARG C 6 -6.597 -6.250 2.904 1.00 0.00 C ATOM 1698 NE ARG C 6 -7.273 -7.548 3.043 1.00 0.00 N ATOM 1699 CZ ARG C 6 -8.239 -7.787 3.936 1.00 0.00 C ATOM 1700 NH1 ARG C 6 -8.674 -6.828 4.748 1.00 0.00 N ATOM 1701 NH2 ARG C 6 -8.783 -8.996 4.026 1.00 0.00 N ATOM 0 H ARG C 6 -2.578 -9.106 1.326 1.00 0.00 H new ATOM 0 HA ARG C 6 -5.298 -8.754 2.388 1.00 0.00 H new ATOM 0 HB2 ARG C 6 -3.920 -6.608 2.704 1.00 0.00 H new ATOM 0 HB3 ARG C 6 -3.739 -6.564 0.962 1.00 0.00 H new ATOM 0 HG2 ARG C 6 -5.545 -5.114 1.416 1.00 0.00 H new ATOM 0 HG3 ARG C 6 -6.290 -6.577 0.804 1.00 0.00 H new ATOM 0 HD2 ARG C 6 -5.972 -6.075 3.780 1.00 0.00 H new ATOM 0 HD3 ARG C 6 -7.344 -5.457 2.882 1.00 0.00 H new ATOM 0 HE ARG C 6 -6.990 -8.308 2.424 1.00 0.00 H new ATOM 0 HH11 ARG C 6 -8.270 -5.893 4.695 1.00 0.00 H new ATOM 0 HH12 ARG C 6 -9.412 -7.027 5.423 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -8.464 -9.746 3.413 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -9.520 -9.174 4.709 1.00 0.00 H new ATOM 1715 N LYS C 7 -6.104 -9.247 0.046 1.00 0.00 N ATOM 1716 CA LYS C 7 -6.555 -9.613 -1.292 1.00 0.00 C ATOM 1717 C LYS C 7 -6.836 -8.356 -2.101 1.00 0.00 C ATOM 1718 O LYS C 7 -7.157 -7.308 -1.540 1.00 0.00 O ATOM 1719 CB LYS C 7 -7.844 -10.435 -1.208 1.00 0.00 C ATOM 1720 CG LYS C 7 -7.619 -11.904 -0.843 1.00 0.00 C ATOM 1721 CD LYS C 7 -6.839 -12.616 -1.947 1.00 0.00 C ATOM 1722 CE LYS C 7 -6.797 -14.123 -1.728 1.00 0.00 C ATOM 1723 NZ LYS C 7 -8.134 -14.734 -1.832 1.00 0.00 N ATOM 0 H LYS C 7 -6.832 -9.291 0.759 1.00 0.00 H new ATOM 0 HA LYS C 7 -5.773 -10.202 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS C 7 -8.504 -9.983 -0.467 1.00 0.00 H new ATOM 0 HB3 LYS C 7 -8.359 -10.384 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS C 7 -7.073 -11.972 0.098 1.00 0.00 H new ATOM 0 HG3 LYS C 7 -8.579 -12.398 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS C 7 -7.298 -12.402 -2.912 1.00 0.00 H new ATOM 0 HD3 LYS C 7 -5.822 -12.225 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS C 7 -6.133 -14.578 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS C 7 -6.377 -14.335 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 -8.037 -15.761 -1.965 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 -8.670 -14.547 -0.960 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 -8.640 -14.326 -2.644 1.00 0.00 H new ATOM 1737 N VAL C 8 -6.715 -8.456 -3.425 1.00 0.00 N ATOM 1738 CA VAL C 8 -7.020 -7.342 -4.311 1.00 0.00 C ATOM 1739 C VAL C 8 -8.464 -6.898 -4.113 1.00 0.00 C ATOM 1740 O VAL C 8 -9.368 -7.728 -4.004 1.00 0.00 O ATOM 1741 CB VAL C 8 -6.747 -7.729 -5.767 1.00 0.00 C ATOM 1742 CG1 VAL C 8 -5.244 -7.922 -5.969 1.00 0.00 C ATOM 1743 CG2 VAL C 8 -7.449 -9.020 -6.182 1.00 0.00 C ATOM 0 H VAL C 8 -6.407 -9.302 -3.905 1.00 0.00 H new ATOM 0 HA VAL C 8 -6.372 -6.501 -4.065 1.00 0.00 H new ATOM 0 HB VAL C 8 -7.136 -6.919 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -5.049 -8.198 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -4.723 -6.993 -5.736 1.00 0.00 H new ATOM 0 HG13 VAL C 8 -4.887 -8.713 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -7.217 -9.242 -7.224 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -7.105 -9.840 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -8.526 -8.901 -6.067 1.00 0.00 H new ATOM 1753 N GLY C 9 -8.680 -5.583 -4.067 1.00 0.00 N ATOM 1754 CA GLY C 9 -10.008 -5.005 -3.921 1.00 0.00 C ATOM 1755 C GLY C 9 -10.380 -4.753 -2.458 1.00 0.00 C ATOM 1756 O GLY C 9 -11.473 -4.258 -2.189 1.00 0.00 O ATOM 0 H GLY C 9 -7.934 -4.890 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -10.054 -4.065 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -10.743 -5.673 -4.369 1.00 0.00 H new ATOM 1760 N GLU C 10 -9.492 -5.080 -1.517 1.00 0.00 N ATOM 1761 CA GLU C 10 -9.740 -4.853 -0.098 1.00 0.00 C ATOM 1762 C GLU C 10 -8.935 -3.647 0.391 1.00 0.00 C ATOM 1763 O GLU C 10 -8.240 -3.007 -0.398 1.00 0.00 O ATOM 1764 CB GLU C 10 -9.405 -6.114 0.700 1.00 0.00 C ATOM 1765 CG GLU C 10 -10.258 -7.311 0.269 1.00 0.00 C ATOM 1766 CD GLU C 10 -11.752 -7.048 0.453 1.00 0.00 C ATOM 1767 OE1 GLU C 10 -12.120 -6.576 1.553 1.00 0.00 O ATOM 1768 OE2 GLU C 10 -12.511 -7.324 -0.502 1.00 0.00 O ATOM 0 H GLU C 10 -8.588 -5.507 -1.718 1.00 0.00 H new ATOM 0 HA GLU C 10 -10.796 -4.631 0.054 1.00 0.00 H new ATOM 0 HB2 GLU C 10 -8.350 -6.355 0.570 1.00 0.00 H new ATOM 0 HB3 GLU C 10 -9.560 -5.923 1.762 1.00 0.00 H new ATOM 0 HG2 GLU C 10 -10.057 -7.541 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU C 10 -9.971 -8.188 0.849 1.00 0.00 H new ATOM 1775 N SER C 11 -9.023 -3.332 1.687 1.00 0.00 N ATOM 1776 CA SER C 11 -8.441 -2.107 2.222 1.00 0.00 C ATOM 1777 C SER C 11 -7.726 -2.316 3.555 1.00 0.00 C ATOM 1778 O SER C 11 -7.835 -3.367 4.187 1.00 0.00 O ATOM 1779 CB SER C 11 -9.549 -1.062 2.396 1.00 0.00 C ATOM 1780 OG SER C 11 -10.211 -0.831 1.171 1.00 0.00 O ATOM 0 H SER C 11 -9.493 -3.912 2.382 1.00 0.00 H new ATOM 0 HA SER C 11 -7.689 -1.767 1.510 1.00 0.00 H new ATOM 0 HB2 SER C 11 -10.265 -1.404 3.143 1.00 0.00 H new ATOM 0 HB3 SER C 11 -9.122 -0.130 2.766 1.00 0.00 H new ATOM 0 HG SER C 11 -10.916 -0.163 1.301 1.00 0.00 H new ATOM 1786 N ILE C 12 -6.990 -1.281 3.965 1.00 0.00 N ATOM 1787 CA ILE C 12 -6.175 -1.222 5.175 1.00 0.00 C ATOM 1788 C ILE C 12 -6.272 0.211 5.712 1.00 0.00 C ATOM 1789 O ILE C 12 -6.759 1.099 5.014 1.00 0.00 O ATOM 1790 CB ILE C 12 -4.727 -1.625 4.825 1.00 0.00 C ATOM 1791 CG1 ILE C 12 -4.705 -3.073 4.310 1.00 0.00 C ATOM 1792 CG2 ILE C 12 -3.773 -1.487 6.017 1.00 0.00 C ATOM 1793 CD1 ILE C 12 -3.292 -3.548 3.976 1.00 0.00 C ATOM 0 H ILE C 12 -6.946 -0.414 3.430 1.00 0.00 H new ATOM 0 HA ILE C 12 -6.521 -1.912 5.944 1.00 0.00 H new ATOM 0 HB ILE C 12 -4.378 -0.942 4.051 1.00 0.00 H new ATOM 0 HG12 ILE C 12 -5.139 -3.731 5.063 1.00 0.00 H new ATOM 0 HG13 ILE C 12 -5.331 -3.150 3.421 1.00 0.00 H new ATOM 0 HG21 ILE C 12 -2.768 -1.783 5.715 1.00 0.00 H new ATOM 0 HG22 ILE C 12 -3.760 -0.451 6.354 1.00 0.00 H new ATOM 0 HG23 ILE C 12 -4.112 -2.129 6.830 1.00 0.00 H new ATOM 0 HD11 ILE C 12 -3.329 -4.576 3.617 1.00 0.00 H new ATOM 0 HD12 ILE C 12 -2.866 -2.908 3.203 1.00 0.00 H new ATOM 0 HD13 ILE C 12 -2.671 -3.499 4.870 1.00 0.00 H new ATOM 1805 N ASN C 13 -5.821 0.456 6.942 1.00 0.00 N ATOM 1806 CA ASN C 13 -5.917 1.767 7.569 1.00 0.00 C ATOM 1807 C ASN C 13 -4.666 2.099 8.378 1.00 0.00 C ATOM 1808 O ASN C 13 -3.943 1.203 8.818 1.00 0.00 O ATOM 1809 CB ASN C 13 -7.146 1.811 8.477 1.00 0.00 C ATOM 1810 CG ASN C 13 -8.430 1.868 7.666 1.00 0.00 C ATOM 1811 OD1 ASN C 13 -9.055 0.848 7.398 1.00 0.00 O ATOM 1812 ND2 ASN C 13 -8.825 3.071 7.269 1.00 0.00 N ATOM 0 H ASN C 13 -5.379 -0.251 7.529 1.00 0.00 H new ATOM 0 HA ASN C 13 -6.010 2.512 6.779 1.00 0.00 H new ATOM 0 HB2 ASN C 13 -7.158 0.930 9.119 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -7.087 2.681 9.130 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -9.678 3.172 6.719 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -8.275 3.895 7.514 1.00 0.00 H new ATOM 1819 N ILE C 14 -4.423 3.398 8.565 1.00 0.00 N ATOM 1820 CA ILE C 14 -3.290 3.913 9.318 1.00 0.00 C ATOM 1821 C ILE C 14 -3.758 5.108 10.146 1.00 0.00 C ATOM 1822 O ILE C 14 -4.654 5.846 9.730 1.00 0.00 O ATOM 1823 CB ILE C 14 -2.158 4.324 8.359 1.00 0.00 C ATOM 1824 CG1 ILE C 14 -1.743 3.122 7.495 1.00 0.00 C ATOM 1825 CG2 ILE C 14 -0.955 4.862 9.149 1.00 0.00 C ATOM 1826 CD1 ILE C 14 -0.626 3.463 6.511 1.00 0.00 C ATOM 0 H ILE C 14 -5.023 4.131 8.188 1.00 0.00 H new ATOM 0 HA ILE C 14 -2.901 3.141 9.982 1.00 0.00 H new ATOM 0 HB ILE C 14 -2.519 5.118 7.705 1.00 0.00 H new ATOM 0 HG12 ILE C 14 -1.415 2.309 8.143 1.00 0.00 H new ATOM 0 HG13 ILE C 14 -2.610 2.760 6.943 1.00 0.00 H new ATOM 0 HG21 ILE C 14 -0.163 5.148 8.456 1.00 0.00 H new ATOM 0 HG22 ILE C 14 -1.261 5.732 9.730 1.00 0.00 H new ATOM 0 HG23 ILE C 14 -0.586 4.088 9.822 1.00 0.00 H new ATOM 0 HD11 ILE C 14 -0.373 2.578 5.927 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.960 4.256 5.842 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.253 3.799 7.061 1.00 0.00 H new ATOM 1838 N GLY C 15 -3.154 5.297 11.324 1.00 0.00 N ATOM 1839 CA GLY C 15 -3.535 6.369 12.225 1.00 0.00 C ATOM 1840 C GLY C 15 -5.030 6.301 12.510 1.00 0.00 C ATOM 1841 O GLY C 15 -5.568 5.226 12.768 1.00 0.00 O ATOM 0 H GLY C 15 -2.394 4.711 11.670 1.00 0.00 H new ATOM 0 HA2 GLY C 15 -2.975 6.289 13.156 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -3.284 7.333 11.783 1.00 0.00 H new ATOM 1845 N ASP C 16 -5.688 7.459 12.460 1.00 0.00 N ATOM 1846 CA ASP C 16 -7.127 7.561 12.645 1.00 0.00 C ATOM 1847 C ASP C 16 -7.726 8.472 11.574 1.00 0.00 C ATOM 1848 O ASP C 16 -8.881 8.878 11.676 1.00 0.00 O ATOM 1849 CB ASP C 16 -7.428 8.089 14.049 1.00 0.00 C ATOM 1850 CG ASP C 16 -6.831 7.192 15.130 1.00 0.00 C ATOM 1851 OD1 ASP C 16 -7.471 6.163 15.443 1.00 0.00 O ATOM 1852 OD2 ASP C 16 -5.739 7.541 15.640 1.00 0.00 O ATOM 0 H ASP C 16 -5.231 8.355 12.289 1.00 0.00 H new ATOM 0 HA ASP C 16 -7.581 6.575 12.543 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -7.028 9.098 14.152 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -8.507 8.158 14.188 1.00 0.00 H new ATOM 1857 N ASP C 17 -6.938 8.792 10.540 1.00 0.00 N ATOM 1858 CA ASP C 17 -7.346 9.695 9.470 1.00 0.00 C ATOM 1859 C ASP C 17 -6.809 9.242 8.111 1.00 0.00 C ATOM 1860 O ASP C 17 -6.887 10.000 7.144 1.00 0.00 O ATOM 1861 CB ASP C 17 -6.864 11.116 9.767 1.00 0.00 C ATOM 1862 CG ASP C 17 -7.382 11.628 11.110 1.00 0.00 C ATOM 1863 OD1 ASP C 17 -8.531 12.122 11.134 1.00 0.00 O ATOM 1864 OD2 ASP C 17 -6.626 11.523 12.100 1.00 0.00 O ATOM 0 H ASP C 17 -5.993 8.426 10.427 1.00 0.00 H new ATOM 0 HA ASP C 17 -8.435 9.679 9.424 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -5.774 11.136 9.767 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.195 11.784 8.972 1.00 0.00 H new ATOM 1869 N ILE C 18 -6.264 8.020 8.012 1.00 0.00 N ATOM 1870 CA ILE C 18 -5.713 7.536 6.753 1.00 0.00 C ATOM 1871 C ILE C 18 -6.277 6.156 6.423 1.00 0.00 C ATOM 1872 O ILE C 18 -6.597 5.360 7.308 1.00 0.00 O ATOM 1873 CB ILE C 18 -4.176 7.492 6.815 1.00 0.00 C ATOM 1874 CG1 ILE C 18 -3.572 8.882 7.071 1.00 0.00 C ATOM 1875 CG2 ILE C 18 -3.598 6.954 5.501 1.00 0.00 C ATOM 1876 CD1 ILE C 18 -3.364 9.129 8.566 1.00 0.00 C ATOM 0 H ILE C 18 -6.197 7.359 8.786 1.00 0.00 H new ATOM 0 HA ILE C 18 -6.002 8.227 5.961 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.917 6.832 7.643 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -2.619 8.969 6.550 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -4.230 9.648 6.661 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -2.510 6.931 5.565 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.973 5.946 5.324 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -3.899 7.603 4.678 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -2.936 10.120 8.715 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.322 9.067 9.082 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.686 8.376 8.968 1.00 0.00 H new ATOM 1888 N THR C 19 -6.390 5.883 5.123 1.00 0.00 N ATOM 1889 CA THR C 19 -6.859 4.615 4.592 1.00 0.00 C ATOM 1890 C THR C 19 -5.969 4.242 3.411 1.00 0.00 C ATOM 1891 O THR C 19 -5.379 5.109 2.769 1.00 0.00 O ATOM 1892 CB THR C 19 -8.326 4.740 4.160 1.00 0.00 C ATOM 1893 OG1 THR C 19 -9.104 5.221 5.236 1.00 0.00 O ATOM 1894 CG2 THR C 19 -8.903 3.403 3.712 1.00 0.00 C ATOM 0 H THR C 19 -6.151 6.558 4.397 1.00 0.00 H new ATOM 0 HA THR C 19 -6.804 3.835 5.351 1.00 0.00 H new ATOM 0 HB THR C 19 -8.356 5.434 3.320 1.00 0.00 H new ATOM 0 HG1 THR C 19 -10.039 5.300 4.954 1.00 0.00 H new ATOM 0 HG21 THR C 19 -9.943 3.537 3.415 1.00 0.00 H new ATOM 0 HG22 THR C 19 -8.330 3.024 2.866 1.00 0.00 H new ATOM 0 HG23 THR C 19 -8.850 2.690 4.535 1.00 0.00 H new ATOM 1902 N ILE C 20 -5.874 2.944 3.128 1.00 0.00 N ATOM 1903 CA ILE C 20 -5.019 2.384 2.096 1.00 0.00 C ATOM 1904 C ILE C 20 -5.820 1.308 1.369 1.00 0.00 C ATOM 1905 O ILE C 20 -6.690 0.676 1.971 1.00 0.00 O ATOM 1906 CB ILE C 20 -3.765 1.776 2.745 1.00 0.00 C ATOM 1907 CG1 ILE C 20 -2.965 2.804 3.556 1.00 0.00 C ATOM 1908 CG2 ILE C 20 -2.863 1.131 1.690 1.00 0.00 C ATOM 1909 CD1 ILE C 20 -2.339 3.897 2.691 1.00 0.00 C ATOM 0 H ILE C 20 -6.409 2.235 3.629 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.699 3.152 1.392 1.00 0.00 H new ATOM 0 HB ILE C 20 -4.115 1.011 3.438 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -3.621 3.265 4.294 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -2.177 2.290 4.107 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -1.983 0.708 2.174 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -3.411 0.340 1.177 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.553 1.885 0.967 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -1.787 4.591 3.325 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -1.658 3.445 1.970 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.124 4.436 2.160 1.00 0.00 H new ATOM 1921 N THR C 21 -5.542 1.095 0.082 1.00 0.00 N ATOM 1922 CA THR C 21 -6.288 0.124 -0.707 1.00 0.00 C ATOM 1923 C THR C 21 -5.349 -0.606 -1.656 1.00 0.00 C ATOM 1924 O THR C 21 -4.347 -0.046 -2.098 1.00 0.00 O ATOM 1925 CB THR C 21 -7.389 0.844 -1.495 1.00 0.00 C ATOM 1926 OG1 THR C 21 -8.017 1.823 -0.695 1.00 0.00 O ATOM 1927 CG2 THR C 21 -8.463 -0.146 -1.945 1.00 0.00 C ATOM 0 H THR C 21 -4.807 1.582 -0.431 1.00 0.00 H new ATOM 0 HA THR C 21 -6.747 -0.608 -0.042 1.00 0.00 H new ATOM 0 HB THR C 21 -6.917 1.310 -2.360 1.00 0.00 H new ATOM 0 HG1 THR C 21 -8.715 2.272 -1.216 1.00 0.00 H new ATOM 0 HG21 THR C 21 -9.235 0.384 -2.502 1.00 0.00 H new ATOM 0 HG22 THR C 21 -8.012 -0.907 -2.583 1.00 0.00 H new ATOM 0 HG23 THR C 21 -8.908 -0.622 -1.071 1.00 0.00 H new ATOM 1935 N ILE C 22 -5.674 -1.861 -1.969 1.00 0.00 N ATOM 1936 CA ILE C 22 -4.906 -2.692 -2.883 1.00 0.00 C ATOM 1937 C ILE C 22 -5.756 -2.897 -4.133 1.00 0.00 C ATOM 1938 O ILE C 22 -6.482 -3.882 -4.262 1.00 0.00 O ATOM 1939 CB ILE C 22 -4.475 -3.981 -2.163 1.00 0.00 C ATOM 1940 CG1 ILE C 22 -3.863 -5.030 -3.096 1.00 0.00 C ATOM 1941 CG2 ILE C 22 -5.635 -4.638 -1.414 1.00 0.00 C ATOM 1942 CD1 ILE C 22 -2.751 -4.442 -3.960 1.00 0.00 C ATOM 0 H ILE C 22 -6.493 -2.332 -1.585 1.00 0.00 H new ATOM 0 HA ILE C 22 -3.974 -2.227 -3.204 1.00 0.00 H new ATOM 0 HB ILE C 22 -3.710 -3.650 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE C 22 -3.466 -5.855 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -4.641 -5.444 -3.737 1.00 0.00 H new ATOM 0 HG21 ILE C 22 -5.283 -5.544 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -6.024 -3.946 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -6.426 -4.892 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -2.344 -5.219 -4.607 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -3.154 -3.635 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -1.960 -4.052 -3.319 1.00 0.00 H new ATOM 1954 N LEU C 23 -5.667 -1.950 -5.073 1.00 0.00 N ATOM 1955 CA LEU C 23 -6.583 -1.896 -6.201 1.00 0.00 C ATOM 1956 C LEU C 23 -6.431 -3.097 -7.127 1.00 0.00 C ATOM 1957 O LEU C 23 -7.384 -3.457 -7.818 1.00 0.00 O ATOM 1958 CB LEU C 23 -6.379 -0.593 -6.985 1.00 0.00 C ATOM 1959 CG LEU C 23 -6.424 0.647 -6.086 1.00 0.00 C ATOM 1960 CD1 LEU C 23 -6.482 1.899 -6.944 1.00 0.00 C ATOM 1961 CD2 LEU C 23 -7.646 0.680 -5.183 1.00 0.00 C ATOM 0 H LEU C 23 -4.964 -1.211 -5.068 1.00 0.00 H new ATOM 0 HA LEU C 23 -7.596 -1.924 -5.799 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -5.419 -0.629 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.149 -0.510 -7.752 1.00 0.00 H new ATOM 0 HG LEU C 23 -5.526 0.606 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -6.514 2.779 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -5.598 1.946 -7.580 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -7.376 1.872 -7.567 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.622 1.581 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.549 0.680 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -7.645 -0.198 -4.537 1.00 0.00 H new ATOM 1973 N GLY C 24 -5.251 -3.723 -7.150 1.00 0.00 N ATOM 1974 CA GLY C 24 -5.073 -4.942 -7.920 1.00 0.00 C ATOM 1975 C GLY C 24 -3.606 -5.250 -8.196 1.00 0.00 C ATOM 1976 O GLY C 24 -2.719 -4.535 -7.731 1.00 0.00 O ATOM 0 H GLY C 24 -4.420 -3.406 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -5.521 -5.777 -7.381 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -5.606 -4.851 -8.866 1.00 0.00 H new ATOM 1980 N VAL C 25 -3.362 -6.322 -8.954 1.00 0.00 N ATOM 1981 CA VAL C 25 -2.009 -6.720 -9.331 1.00 0.00 C ATOM 1982 C VAL C 25 -1.859 -6.710 -10.849 1.00 0.00 C ATOM 1983 O VAL C 25 -2.836 -6.692 -11.598 1.00 0.00 O ATOM 1984 CB VAL C 25 -1.665 -8.114 -8.793 1.00 0.00 C ATOM 1985 CG1 VAL C 25 -1.821 -8.173 -7.276 1.00 0.00 C ATOM 1986 CG2 VAL C 25 -2.527 -9.176 -9.479 1.00 0.00 C ATOM 0 H VAL C 25 -4.093 -6.933 -9.320 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.319 -6.001 -8.890 1.00 0.00 H new ATOM 0 HB VAL C 25 -0.620 -8.321 -9.022 1.00 0.00 H new ATOM 0 HG11 VAL C 25 -1.570 -9.173 -6.923 1.00 0.00 H new ATOM 0 HG12 VAL C 25 -1.153 -7.447 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL C 25 -2.851 -7.941 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL C 25 -2.272 -10.161 -9.087 1.00 0.00 H new ATOM 0 HG22 VAL C 25 -3.580 -8.970 -9.286 1.00 0.00 H new ATOM 0 HG23 VAL C 25 -2.344 -9.155 -10.553 1.00 0.00 H new ATOM 1996 N SER C 26 -0.600 -6.720 -11.283 1.00 0.00 N ATOM 1997 CA SER C 26 -0.200 -6.746 -12.677 1.00 0.00 C ATOM 1998 C SER C 26 1.151 -7.452 -12.749 1.00 0.00 C ATOM 1999 O SER C 26 2.146 -6.877 -13.193 1.00 0.00 O ATOM 2000 CB SER C 26 -0.106 -5.326 -13.225 1.00 0.00 C ATOM 2001 OG SER C 26 -1.343 -4.654 -13.103 1.00 0.00 O ATOM 0 H SER C 26 0.195 -6.710 -10.644 1.00 0.00 H new ATOM 0 HA SER C 26 -0.934 -7.278 -13.283 1.00 0.00 H new ATOM 0 HB2 SER C 26 0.666 -4.775 -12.688 1.00 0.00 H new ATOM 0 HB3 SER C 26 0.194 -5.356 -14.272 1.00 0.00 H new ATOM 0 HG SER C 26 -1.258 -3.745 -13.459 1.00 0.00 H new ATOM 2007 N GLY C 27 1.188 -8.711 -12.302 1.00 0.00 N ATOM 2008 CA GLY C 27 2.436 -9.453 -12.233 1.00 0.00 C ATOM 2009 C GLY C 27 3.267 -8.918 -11.081 1.00 0.00 C ATOM 2010 O GLY C 27 2.748 -8.718 -9.983 1.00 0.00 O ATOM 0 H GLY C 27 0.369 -9.230 -11.986 1.00 0.00 H new ATOM 0 HA2 GLY C 27 2.235 -10.515 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY C 27 2.984 -9.355 -13.170 1.00 0.00 H new ATOM 2014 N GLN C 28 4.557 -8.680 -11.319 1.00 0.00 N ATOM 2015 CA GLN C 28 5.431 -8.117 -10.299 1.00 0.00 C ATOM 2016 C GLN C 28 5.040 -6.677 -9.967 1.00 0.00 C ATOM 2017 O GLN C 28 5.556 -6.129 -8.994 1.00 0.00 O ATOM 2018 CB GLN C 28 6.888 -8.176 -10.766 1.00 0.00 C ATOM 2019 CG GLN C 28 7.487 -9.566 -10.519 1.00 0.00 C ATOM 2020 CD GLN C 28 6.556 -10.697 -10.948 1.00 0.00 C ATOM 2021 OE1 GLN C 28 6.440 -11.007 -12.129 1.00 0.00 O ATOM 2022 NE2 GLN C 28 5.881 -11.315 -9.981 1.00 0.00 N ATOM 0 H GLN C 28 5.016 -8.869 -12.210 1.00 0.00 H new ATOM 0 HA GLN C 28 5.321 -8.712 -9.392 1.00 0.00 H new ATOM 0 HB2 GLN C 28 6.944 -7.935 -11.828 1.00 0.00 H new ATOM 0 HB3 GLN C 28 7.474 -7.424 -10.237 1.00 0.00 H new ATOM 0 HG2 GLN C 28 8.429 -9.652 -11.061 1.00 0.00 H new ATOM 0 HG3 GLN C 28 7.718 -9.674 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN C 28 6.004 -11.029 -9.010 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.241 -12.075 -10.211 1.00 0.00 H new ATOM 2031 N GLN C 29 4.146 -6.054 -10.746 1.00 0.00 N ATOM 2032 CA GLN C 29 3.675 -4.719 -10.431 1.00 0.00 C ATOM 2033 C GLN C 29 2.344 -4.805 -9.702 1.00 0.00 C ATOM 2034 O GLN C 29 1.570 -5.740 -9.903 1.00 0.00 O ATOM 2035 CB GLN C 29 3.572 -3.892 -11.718 1.00 0.00 C ATOM 2036 CG GLN C 29 3.234 -2.438 -11.385 1.00 0.00 C ATOM 2037 CD GLN C 29 3.490 -1.520 -12.567 1.00 0.00 C ATOM 2038 OE1 GLN C 29 4.417 -0.715 -12.535 1.00 0.00 O ATOM 2039 NE2 GLN C 29 2.679 -1.629 -13.618 1.00 0.00 N ATOM 0 H GLN C 29 3.743 -6.458 -11.591 1.00 0.00 H new ATOM 0 HA GLN C 29 4.383 -4.218 -9.770 1.00 0.00 H new ATOM 0 HB2 GLN C 29 4.514 -3.938 -12.265 1.00 0.00 H new ATOM 0 HB3 GLN C 29 2.805 -4.312 -12.368 1.00 0.00 H new ATOM 0 HG2 GLN C 29 2.188 -2.366 -11.088 1.00 0.00 H new ATOM 0 HG3 GLN C 29 3.831 -2.111 -10.534 1.00 0.00 H new ATOM 0 HE21 GLN C 29 1.920 -2.310 -13.608 1.00 0.00 H new ATOM 0 HE22 GLN C 29 2.817 -1.032 -14.433 1.00 0.00 H new ATOM 2048 N VAL C 30 2.076 -3.816 -8.849 1.00 0.00 N ATOM 2049 CA VAL C 30 0.857 -3.768 -8.063 1.00 0.00 C ATOM 2050 C VAL C 30 0.323 -2.343 -8.085 1.00 0.00 C ATOM 2051 O VAL C 30 1.108 -1.399 -8.039 1.00 0.00 O ATOM 2052 CB VAL C 30 1.191 -4.213 -6.631 1.00 0.00 C ATOM 2053 CG1 VAL C 30 -0.056 -4.250 -5.754 1.00 0.00 C ATOM 2054 CG2 VAL C 30 1.823 -5.606 -6.617 1.00 0.00 C ATOM 0 H VAL C 30 2.703 -3.028 -8.688 1.00 0.00 H new ATOM 0 HA VAL C 30 0.093 -4.431 -8.469 1.00 0.00 H new ATOM 0 HB VAL C 30 1.896 -3.481 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.216 -4.569 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -0.501 -3.256 -5.712 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.776 -4.952 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.048 -5.893 -5.590 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.128 -6.325 -7.051 1.00 0.00 H new ATOM 0 HG23 VAL C 30 2.744 -5.594 -7.200 1.00 0.00 H new ATOM 2064 N ARG C 31 -1.005 -2.181 -8.159 1.00 0.00 N ATOM 2065 CA ARG C 31 -1.621 -0.858 -8.135 1.00 0.00 C ATOM 2066 C ARG C 31 -2.262 -0.666 -6.770 1.00 0.00 C ATOM 2067 O ARG C 31 -3.011 -1.522 -6.292 1.00 0.00 O ATOM 2068 CB ARG C 31 -2.636 -0.693 -9.273 1.00 0.00 C ATOM 2069 CG ARG C 31 -2.898 0.800 -9.509 1.00 0.00 C ATOM 2070 CD ARG C 31 -4.027 1.058 -10.513 1.00 0.00 C ATOM 2071 NE ARG C 31 -3.811 0.343 -11.779 1.00 0.00 N ATOM 2072 CZ ARG C 31 -3.472 0.911 -12.939 1.00 0.00 C ATOM 2073 NH1 ARG C 31 -3.258 2.220 -13.033 1.00 0.00 N ATOM 2074 NH2 ARG C 31 -3.348 0.158 -14.028 1.00 0.00 N ATOM 0 H ARG C 31 -1.668 -2.952 -8.236 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.865 -0.089 -8.294 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -2.256 -1.155 -10.184 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -3.567 -1.202 -9.022 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -3.148 1.274 -8.560 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.984 1.271 -9.870 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.977 0.747 -10.078 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -4.101 2.128 -10.709 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.930 -0.670 -11.771 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.352 2.813 -12.208 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -3.000 2.631 -13.930 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.512 -0.847 -13.974 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -3.089 0.586 -14.917 1.00 0.00 H new ATOM 2088 N ILE C 32 -1.957 0.471 -6.147 1.00 0.00 N ATOM 2089 CA ILE C 32 -2.298 0.727 -4.760 1.00 0.00 C ATOM 2090 C ILE C 32 -3.000 2.078 -4.660 1.00 0.00 C ATOM 2091 O ILE C 32 -2.811 2.942 -5.515 1.00 0.00 O ATOM 2092 CB ILE C 32 -1.010 0.703 -3.918 1.00 0.00 C ATOM 2093 CG1 ILE C 32 -0.049 -0.401 -4.406 1.00 0.00 C ATOM 2094 CG2 ILE C 32 -1.350 0.512 -2.438 1.00 0.00 C ATOM 2095 CD1 ILE C 32 1.162 -0.582 -3.494 1.00 0.00 C ATOM 0 H ILE C 32 -1.463 1.241 -6.598 1.00 0.00 H new ATOM 0 HA ILE C 32 -2.974 -0.039 -4.381 1.00 0.00 H new ATOM 0 HB ILE C 32 -0.504 1.661 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -0.591 -1.344 -4.472 1.00 0.00 H new ATOM 0 HG13 ILE C 32 0.293 -0.159 -5.412 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -0.431 0.497 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -1.981 1.334 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.880 -0.431 -2.305 1.00 0.00 H new ATOM 0 HD11 ILE C 32 1.800 -1.372 -3.889 1.00 0.00 H new ATOM 0 HD12 ILE C 32 1.725 0.350 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE C 32 0.826 -0.854 -2.493 1.00 0.00 H new ATOM 2107 N GLY C 33 -3.810 2.251 -3.614 1.00 0.00 N ATOM 2108 CA GLY C 33 -4.583 3.456 -3.365 1.00 0.00 C ATOM 2109 C GLY C 33 -4.279 3.987 -1.970 1.00 0.00 C ATOM 2110 O GLY C 33 -3.935 3.222 -1.068 1.00 0.00 O ATOM 0 H GLY C 33 -3.946 1.534 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -4.344 4.213 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -5.648 3.241 -3.458 1.00 0.00 H new ATOM 2114 N ILE C 34 -4.409 5.300 -1.800 1.00 0.00 N ATOM 2115 CA ILE C 34 -4.177 5.966 -0.528 1.00 0.00 C ATOM 2116 C ILE C 34 -5.226 7.051 -0.377 1.00 0.00 C ATOM 2117 O ILE C 34 -5.618 7.681 -1.357 1.00 0.00 O ATOM 2118 CB ILE C 34 -2.762 6.567 -0.487 1.00 0.00 C ATOM 2119 CG1 ILE C 34 -1.700 5.490 -0.749 1.00 0.00 C ATOM 2120 CG2 ILE C 34 -2.534 7.212 0.882 1.00 0.00 C ATOM 2121 CD1 ILE C 34 -0.301 6.095 -0.852 1.00 0.00 C ATOM 0 H ILE C 34 -4.681 5.935 -2.551 1.00 0.00 H new ATOM 0 HA ILE C 34 -4.253 5.254 0.294 1.00 0.00 H new ATOM 0 HB ILE C 34 -2.673 7.320 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -1.721 4.754 0.055 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -1.937 4.961 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -1.533 7.641 0.920 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -3.272 7.998 1.041 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -2.635 6.457 1.661 1.00 0.00 H new ATOM 0 HD11 ILE C 34 0.425 5.303 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -0.274 6.812 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -0.054 6.602 0.081 1.00 0.00 H new ATOM 2133 N ASN C 35 -5.683 7.270 0.852 1.00 0.00 N ATOM 2134 CA ASN C 35 -6.748 8.219 1.107 1.00 0.00 C ATOM 2135 C ASN C 35 -6.495 8.909 2.444 1.00 0.00 C ATOM 2136 O ASN C 35 -6.700 8.319 3.506 1.00 0.00 O ATOM 2137 CB ASN C 35 -8.073 7.453 1.068 1.00 0.00 C ATOM 2138 CG ASN C 35 -9.264 8.364 0.822 1.00 0.00 C ATOM 2139 OD1 ASN C 35 -9.279 9.520 1.237 1.00 0.00 O ATOM 2140 ND2 ASN C 35 -10.273 7.838 0.138 1.00 0.00 N ATOM 0 H ASN C 35 -5.328 6.800 1.685 1.00 0.00 H new ATOM 0 HA ASN C 35 -6.787 9.005 0.353 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.029 6.697 0.284 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.212 6.925 2.012 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.101 8.399 -0.061 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -10.220 6.873 -0.189 1.00 0.00 H new ATOM 2147 N ALA C 36 -6.044 10.161 2.383 1.00 0.00 N ATOM 2148 CA ALA C 36 -5.678 10.941 3.553 1.00 0.00 C ATOM 2149 C ALA C 36 -5.859 12.428 3.261 1.00 0.00 C ATOM 2150 O ALA C 36 -5.894 12.820 2.093 1.00 0.00 O ATOM 2151 CB ALA C 36 -4.213 10.648 3.876 1.00 0.00 C ATOM 0 H ALA C 36 -5.923 10.665 1.504 1.00 0.00 H new ATOM 0 HA ALA C 36 -6.312 10.676 4.399 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -3.912 11.222 4.752 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -4.091 9.584 4.080 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -3.590 10.929 3.027 1.00 0.00 H new ATOM 2157 N PRO C 37 -5.971 13.266 4.300 1.00 0.00 N ATOM 2158 CA PRO C 37 -6.045 14.707 4.152 1.00 0.00 C ATOM 2159 C PRO C 37 -4.746 15.244 3.557 1.00 0.00 C ATOM 2160 O PRO C 37 -3.680 14.669 3.767 1.00 0.00 O ATOM 2161 CB PRO C 37 -6.269 15.243 5.570 1.00 0.00 C ATOM 2162 CG PRO C 37 -5.773 14.133 6.494 1.00 0.00 C ATOM 2163 CD PRO C 37 -6.035 12.863 5.692 1.00 0.00 C ATOM 0 HA PRO C 37 -6.844 15.016 3.478 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -5.718 16.169 5.734 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -7.322 15.463 5.747 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -4.715 14.249 6.729 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -6.312 14.128 7.442 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -5.291 12.098 5.914 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -7.010 12.440 5.934 1.00 0.00 H new ATOM 2171 N LYS C 38 -4.815 16.352 2.808 1.00 0.00 N ATOM 2172 CA LYS C 38 -3.614 16.987 2.272 1.00 0.00 C ATOM 2173 C LYS C 38 -2.724 17.515 3.401 1.00 0.00 C ATOM 2174 O LYS C 38 -1.635 18.024 3.148 1.00 0.00 O ATOM 2175 CB LYS C 38 -3.984 18.122 1.322 1.00 0.00 C ATOM 2176 CG LYS C 38 -4.630 17.646 0.012 1.00 0.00 C ATOM 2177 CD LYS C 38 -3.704 16.724 -0.786 1.00 0.00 C ATOM 2178 CE LYS C 38 -3.997 16.836 -2.282 1.00 0.00 C ATOM 2179 NZ LYS C 38 -3.608 18.155 -2.815 1.00 0.00 N ATOM 0 H LYS C 38 -5.687 16.822 2.563 1.00 0.00 H new ATOM 0 HA LYS C 38 -3.056 16.233 1.717 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -4.670 18.800 1.830 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -3.087 18.694 1.087 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -5.558 17.121 0.236 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -4.892 18.511 -0.597 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -2.664 16.987 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -3.838 15.693 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -3.460 16.054 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -5.060 16.671 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -3.398 18.071 -3.830 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -4.388 18.829 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -2.763 18.497 -2.314 1.00 0.00 H new ATOM 2193 N ASP C 39 -3.181 17.394 4.653 1.00 0.00 N ATOM 2194 CA ASP C 39 -2.401 17.720 5.839 1.00 0.00 C ATOM 2195 C ASP C 39 -1.229 16.754 6.002 1.00 0.00 C ATOM 2196 O ASP C 39 -0.389 16.944 6.880 1.00 0.00 O ATOM 2197 CB ASP C 39 -3.306 17.646 7.067 1.00 0.00 C ATOM 2198 CG ASP C 39 -4.303 18.801 7.084 1.00 0.00 C ATOM 2199 OD1 ASP C 39 -3.931 19.877 7.605 1.00 0.00 O ATOM 2200 OD2 ASP C 39 -5.430 18.604 6.578 1.00 0.00 O ATOM 0 H ASP C 39 -4.121 17.060 4.867 1.00 0.00 H new ATOM 0 HA ASP C 39 -1.999 18.728 5.732 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -3.843 16.698 7.070 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -2.699 17.672 7.972 1.00 0.00 H new ATOM 2205 N VAL C 40 -1.168 15.720 5.154 1.00 0.00 N ATOM 2206 CA VAL C 40 -0.067 14.769 5.121 1.00 0.00 C ATOM 2207 C VAL C 40 0.301 14.521 3.659 1.00 0.00 C ATOM 2208 O VAL C 40 -0.477 14.843 2.761 1.00 0.00 O ATOM 2209 CB VAL C 40 -0.458 13.469 5.840 1.00 0.00 C ATOM 2210 CG1 VAL C 40 -0.953 13.751 7.262 1.00 0.00 C ATOM 2211 CG2 VAL C 40 -1.584 12.725 5.124 1.00 0.00 C ATOM 0 H VAL C 40 -1.895 15.524 4.466 1.00 0.00 H new ATOM 0 HA VAL C 40 0.800 15.169 5.646 1.00 0.00 H new ATOM 0 HB VAL C 40 0.446 12.860 5.849 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -1.223 12.812 7.746 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -0.163 14.240 7.832 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -1.826 14.402 7.221 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -1.823 11.813 5.671 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -2.467 13.362 5.075 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -1.266 12.468 4.114 1.00 0.00 H new ATOM 2221 N ALA C 41 1.482 13.954 3.404 1.00 0.00 N ATOM 2222 CA ALA C 41 1.972 13.799 2.044 1.00 0.00 C ATOM 2223 C ALA C 41 2.224 12.337 1.714 1.00 0.00 C ATOM 2224 O ALA C 41 2.433 11.523 2.613 1.00 0.00 O ATOM 2225 CB ALA C 41 3.257 14.617 1.889 1.00 0.00 C ATOM 0 H ALA C 41 2.111 13.597 4.123 1.00 0.00 H new ATOM 0 HA ALA C 41 1.217 14.162 1.347 1.00 0.00 H new ATOM 0 HB1 ALA C 41 3.636 14.510 0.873 1.00 0.00 H new ATOM 0 HB2 ALA C 41 3.046 15.668 2.089 1.00 0.00 H new ATOM 0 HB3 ALA C 41 4.005 14.257 2.595 1.00 0.00 H new ATOM 2231 N VAL C 42 2.199 12.005 0.419 1.00 0.00 N ATOM 2232 CA VAL C 42 2.414 10.640 -0.045 1.00 0.00 C ATOM 2233 C VAL C 42 3.170 10.658 -1.372 1.00 0.00 C ATOM 2234 O VAL C 42 2.812 11.411 -2.279 1.00 0.00 O ATOM 2235 CB VAL C 42 1.069 9.901 -0.199 1.00 0.00 C ATOM 2236 CG1 VAL C 42 0.180 10.078 1.035 1.00 0.00 C ATOM 2237 CG2 VAL C 42 0.253 10.393 -1.396 1.00 0.00 C ATOM 0 H VAL C 42 2.029 12.676 -0.331 1.00 0.00 H new ATOM 0 HA VAL C 42 3.011 10.106 0.695 1.00 0.00 H new ATOM 0 HB VAL C 42 1.345 8.856 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -0.758 9.543 0.888 1.00 0.00 H new ATOM 0 HG12 VAL C 42 0.691 9.680 1.912 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -0.027 11.138 1.186 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -0.682 9.836 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL C 42 0.036 11.455 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL C 42 0.823 10.239 -2.313 1.00 0.00 H new ATOM 2247 N HIS C 43 4.214 9.835 -1.495 1.00 0.00 N ATOM 2248 CA HIS C 43 4.945 9.707 -2.754 1.00 0.00 C ATOM 2249 C HIS C 43 5.674 8.371 -2.826 1.00 0.00 C ATOM 2250 O HIS C 43 5.849 7.695 -1.810 1.00 0.00 O ATOM 2251 CB HIS C 43 5.982 10.830 -2.932 1.00 0.00 C ATOM 2252 CG HIS C 43 5.690 12.122 -2.213 1.00 0.00 C ATOM 2253 ND1 HIS C 43 5.093 13.245 -2.789 1.00 0.00 N ATOM 2254 CD2 HIS C 43 5.971 12.385 -0.899 1.00 0.00 C ATOM 2255 CE1 HIS C 43 5.027 14.158 -1.804 1.00 0.00 C ATOM 2256 NE2 HIS C 43 5.550 13.671 -0.667 1.00 0.00 N ATOM 0 H HIS C 43 4.570 9.250 -0.739 1.00 0.00 H new ATOM 0 HA HIS C 43 4.203 9.775 -3.549 1.00 0.00 H new ATOM 0 HB2 HIS C 43 6.950 10.460 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS C 43 6.077 11.044 -3.997 1.00 0.00 H new ATOM 0 HD1 HIS C 43 4.775 13.350 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS C 43 6.431 11.715 -0.188 1.00 0.00 H new ATOM 0 HE1 HIS C 43 4.610 15.148 -1.913 1.00 0.00 H new ATOM 2264 N ARG C 44 6.106 7.991 -4.032 1.00 0.00 N ATOM 2265 CA ARG C 44 6.943 6.811 -4.212 1.00 0.00 C ATOM 2266 C ARG C 44 8.327 7.094 -3.626 1.00 0.00 C ATOM 2267 O ARG C 44 8.769 8.240 -3.600 1.00 0.00 O ATOM 2268 CB ARG C 44 6.960 6.412 -5.691 1.00 0.00 C ATOM 2269 CG ARG C 44 7.451 7.548 -6.589 1.00 0.00 C ATOM 2270 CD ARG C 44 7.292 7.189 -8.071 1.00 0.00 C ATOM 2271 NE ARG C 44 8.235 6.144 -8.485 1.00 0.00 N ATOM 2272 CZ ARG C 44 8.452 5.787 -9.755 1.00 0.00 C ATOM 2273 NH1 ARG C 44 7.772 6.339 -10.753 1.00 0.00 N ATOM 2274 NH2 ARG C 44 9.361 4.865 -10.047 1.00 0.00 N ATOM 0 H ARG C 44 5.887 8.487 -4.896 1.00 0.00 H new ATOM 0 HA ARG C 44 6.543 5.951 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG C 44 7.603 5.542 -5.824 1.00 0.00 H new ATOM 0 HB3 ARG C 44 5.957 6.116 -5.998 1.00 0.00 H new ATOM 0 HG2 ARG C 44 6.891 8.457 -6.370 1.00 0.00 H new ATOM 0 HG3 ARG C 44 8.498 7.759 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG C 44 6.272 6.851 -8.255 1.00 0.00 H new ATOM 0 HD3 ARG C 44 7.448 8.080 -8.679 1.00 0.00 H new ATOM 0 HE ARG C 44 8.759 5.658 -7.757 1.00 0.00 H new ATOM 0 HH11 ARG C 44 7.068 7.051 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG C 44 7.954 6.051 -11.715 1.00 0.00 H new ATOM 0 HH21 ARG C 44 9.899 4.424 -9.300 1.00 0.00 H new ATOM 0 HH22 ARG C 44 9.522 4.597 -11.018 1.00 0.00 H new ATOM 2288 N GLU C 45 9.012 6.051 -3.155 1.00 0.00 N ATOM 2289 CA GLU C 45 10.233 6.193 -2.371 1.00 0.00 C ATOM 2290 C GLU C 45 11.353 6.927 -3.110 1.00 0.00 C ATOM 2291 O GLU C 45 12.127 7.651 -2.485 1.00 0.00 O ATOM 2292 CB GLU C 45 10.677 4.792 -1.934 1.00 0.00 C ATOM 2293 CG GLU C 45 11.612 4.831 -0.725 1.00 0.00 C ATOM 2294 CD GLU C 45 13.031 5.284 -1.043 1.00 0.00 C ATOM 2295 OE1 GLU C 45 13.573 4.828 -2.074 1.00 0.00 O ATOM 2296 OE2 GLU C 45 13.565 6.088 -0.247 1.00 0.00 O ATOM 0 H GLU C 45 8.732 5.082 -3.309 1.00 0.00 H new ATOM 0 HA GLU C 45 10.016 6.818 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU C 45 9.799 4.194 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU C 45 11.181 4.297 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU C 45 11.189 5.500 0.025 1.00 0.00 H new ATOM 0 HG3 GLU C 45 11.652 3.837 -0.279 1.00 0.00 H new ATOM 2303 N GLU C 46 11.468 6.762 -4.428 1.00 0.00 N ATOM 2304 CA GLU C 46 12.538 7.407 -5.177 1.00 0.00 C ATOM 2305 C GLU C 46 12.218 8.877 -5.475 1.00 0.00 C ATOM 2306 O GLU C 46 13.104 9.631 -5.868 1.00 0.00 O ATOM 2307 CB GLU C 46 12.884 6.624 -6.453 1.00 0.00 C ATOM 2308 CG GLU C 46 11.731 6.497 -7.448 1.00 0.00 C ATOM 2309 CD GLU C 46 10.847 5.291 -7.164 1.00 0.00 C ATOM 2310 OE1 GLU C 46 9.990 5.390 -6.259 1.00 0.00 O ATOM 2311 OE2 GLU C 46 11.019 4.264 -7.860 1.00 0.00 O ATOM 0 H GLU C 46 10.838 6.192 -4.992 1.00 0.00 H new ATOM 0 HA GLU C 46 13.426 7.399 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU C 46 13.723 7.113 -6.948 1.00 0.00 H new ATOM 0 HB3 GLU C 46 13.217 5.625 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU C 46 11.126 7.403 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU C 46 12.134 6.419 -8.458 1.00 0.00 H new ATOM 2318 N ILE C 47 10.958 9.292 -5.293 1.00 0.00 N ATOM 2319 CA ILE C 47 10.559 10.691 -5.397 1.00 0.00 C ATOM 2320 C ILE C 47 10.673 11.341 -4.022 1.00 0.00 C ATOM 2321 O ILE C 47 10.926 12.539 -3.907 1.00 0.00 O ATOM 2322 CB ILE C 47 9.114 10.773 -5.916 1.00 0.00 C ATOM 2323 CG1 ILE C 47 9.078 10.881 -7.443 1.00 0.00 C ATOM 2324 CG2 ILE C 47 8.370 12.000 -5.382 1.00 0.00 C ATOM 2325 CD1 ILE C 47 9.890 9.802 -8.149 1.00 0.00 C ATOM 0 H ILE C 47 10.189 8.661 -5.069 1.00 0.00 H new ATOM 0 HA ILE C 47 11.209 11.218 -6.095 1.00 0.00 H new ATOM 0 HB ILE C 47 8.633 9.859 -5.569 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.043 10.823 -7.779 1.00 0.00 H new ATOM 0 HG13 ILE C 47 9.455 11.860 -7.739 1.00 0.00 H new ATOM 0 HG21 ILE C 47 7.355 12.011 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE C 47 8.334 11.959 -4.293 1.00 0.00 H new ATOM 0 HG23 ILE C 47 8.891 12.905 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE C 47 9.819 9.941 -9.228 1.00 0.00 H new ATOM 0 HD12 ILE C 47 10.934 9.873 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE C 47 9.499 8.820 -7.883 1.00 0.00 H new ATOM 2337 N TYR C 48 10.485 10.544 -2.968 1.00 0.00 N ATOM 2338 CA TYR C 48 10.521 11.012 -1.594 1.00 0.00 C ATOM 2339 C TYR C 48 11.872 11.634 -1.245 1.00 0.00 C ATOM 2340 O TYR C 48 11.931 12.615 -0.509 1.00 0.00 O ATOM 2341 CB TYR C 48 10.224 9.802 -0.710 1.00 0.00 C ATOM 2342 CG TYR C 48 10.185 10.072 0.769 1.00 0.00 C ATOM 2343 CD1 TYR C 48 9.116 10.788 1.325 1.00 0.00 C ATOM 2344 CD2 TYR C 48 11.214 9.594 1.591 1.00 0.00 C ATOM 2345 CE1 TYR C 48 9.048 10.990 2.711 1.00 0.00 C ATOM 2346 CE2 TYR C 48 11.149 9.772 2.976 1.00 0.00 C ATOM 2347 CZ TYR C 48 10.062 10.469 3.546 1.00 0.00 C ATOM 2348 OH TYR C 48 9.995 10.644 4.895 1.00 0.00 O ATOM 0 H TYR C 48 10.302 9.544 -3.053 1.00 0.00 H new ATOM 0 HA TYR C 48 9.782 11.798 -1.439 1.00 0.00 H new ATOM 0 HB2 TYR C 48 9.264 9.382 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR C 48 10.979 9.040 -0.902 1.00 0.00 H new ATOM 0 HD1 TYR C 48 8.343 11.185 0.684 1.00 0.00 H new ATOM 0 HD2 TYR C 48 12.061 9.086 1.153 1.00 0.00 H new ATOM 0 HE1 TYR C 48 8.224 11.542 3.139 1.00 0.00 H new ATOM 0 HE2 TYR C 48 11.930 9.377 3.609 1.00 0.00 H new ATOM 0 HH TYR C 48 10.772 10.222 5.319 1.00 0.00 H new