USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 444 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 Single : A 1 VAL N :NH3+ -169:sc= -0.877 (180deg=-1.32) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 21 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.96!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -0.0342 (180deg=-0.66) USER MOD Single : A 27 GLN : amide:sc= -0.0815 K(o=-0.081,f=-0.97) USER MOD Single : A 30 ASN : amide:sc= -0.0304 K(o=-0.03,f=-0.81) USER MOD Single : A 31 SER OG : rot 9:sc= 0.2 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 43 THR OG1 : rot -150:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -61:sc= 1.13 USER MOD Single : A 53 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.5!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -12.795 8.631 5.377 1.00 0.00 N ATOM 2 CA VAL A 1 -12.902 9.554 4.259 1.00 0.00 C ATOM 3 C VAL A 1 -11.552 9.642 3.545 1.00 0.00 C ATOM 4 O VAL A 1 -11.440 10.277 2.498 1.00 0.00 O ATOM 5 CB VAL A 1 -13.409 10.912 4.748 1.00 0.00 C ATOM 6 CG1 VAL A 1 -14.254 11.601 3.674 1.00 0.00 C ATOM 7 CG2 VAL A 1 -14.195 10.767 6.053 1.00 0.00 C ATOM 0 H1 VAL A 1 -13.744 8.425 5.749 1.00 0.00 H new ATOM 0 H2 VAL A 1 -12.349 7.748 5.057 1.00 0.00 H new ATOM 0 H3 VAL A 1 -12.215 9.059 6.127 1.00 0.00 H new ATOM 0 HA VAL A 1 -13.631 9.192 3.534 1.00 0.00 H new ATOM 0 HB VAL A 1 -12.541 11.541 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.602 12.564 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -13.651 11.755 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -15.112 10.975 3.429 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -14.544 11.747 6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -15.051 10.112 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -13.550 10.338 6.820 1.00 0.00 H new ATOM 17 N THR A 2 -10.561 8.993 4.139 1.00 0.00 N ATOM 18 CA THR A 2 -9.223 8.990 3.573 1.00 0.00 C ATOM 19 C THR A 2 -8.972 7.691 2.805 1.00 0.00 C ATOM 20 O THR A 2 -7.962 7.024 3.020 1.00 0.00 O ATOM 21 CB THR A 2 -8.228 9.225 4.711 1.00 0.00 C ATOM 22 OG1 THR A 2 -8.948 10.028 5.642 1.00 0.00 O ATOM 23 CG2 THR A 2 -7.053 10.110 4.288 1.00 0.00 C ATOM 0 H THR A 2 -10.658 8.466 5.007 1.00 0.00 H new ATOM 0 HA THR A 2 -9.100 9.791 2.844 1.00 0.00 H new ATOM 0 HB THR A 2 -7.851 8.266 5.067 1.00 0.00 H new ATOM 0 HG1 THR A 2 -8.377 10.226 6.413 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.377 10.245 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 2 -6.517 9.635 3.466 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.427 11.081 3.964 1.00 0.00 H new ATOM 31 N LEU A 3 -9.910 7.371 1.925 1.00 0.00 N ATOM 32 CA LEU A 3 -9.802 6.164 1.124 1.00 0.00 C ATOM 33 C LEU A 3 -9.001 6.467 -0.143 1.00 0.00 C ATOM 34 O LEU A 3 -9.308 7.415 -0.865 1.00 0.00 O ATOM 35 CB LEU A 3 -11.189 5.579 0.849 1.00 0.00 C ATOM 36 CG LEU A 3 -12.278 5.926 1.866 1.00 0.00 C ATOM 37 CD1 LEU A 3 -13.234 6.982 1.308 1.00 0.00 C ATOM 38 CD2 LEU A 3 -13.018 4.670 2.327 1.00 0.00 C ATOM 0 H LEU A 3 -10.747 7.926 1.750 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.257 5.393 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.516 5.919 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.100 4.494 0.798 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.799 6.358 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.998 7.210 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.677 7.888 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.709 6.601 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.787 4.945 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.484 4.186 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.312 3.982 2.792 1.00 0.00 H new ATOM 50 N PHE A 4 -7.987 5.645 -0.375 1.00 0.00 N ATOM 51 CA PHE A 4 -7.139 5.813 -1.542 1.00 0.00 C ATOM 52 C PHE A 4 -7.366 4.687 -2.553 1.00 0.00 C ATOM 53 O PHE A 4 -7.594 3.541 -2.169 1.00 0.00 O ATOM 54 CB PHE A 4 -5.690 5.759 -1.053 1.00 0.00 C ATOM 55 CG PHE A 4 -5.251 6.996 -0.267 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.007 8.164 -0.919 1.00 0.00 C ATOM 57 CD2 PHE A 4 -5.105 6.927 1.083 1.00 0.00 C ATOM 58 CE1 PHE A 4 -4.599 9.313 -0.190 1.00 0.00 C ATOM 59 CE2 PHE A 4 -4.698 8.075 1.812 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.453 9.244 1.160 1.00 0.00 C ATOM 0 H PHE A 4 -7.734 4.861 0.226 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.368 6.758 -2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.562 4.878 -0.424 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.032 5.635 -1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.123 8.218 -1.991 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.299 5.999 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.405 10.241 -0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.583 8.021 2.884 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.143 10.117 1.715 1.00 0.00 H new ATOM 70 N VAL A 5 -7.297 5.054 -3.824 1.00 0.00 N ATOM 71 CA VAL A 5 -7.493 4.089 -4.892 1.00 0.00 C ATOM 72 C VAL A 5 -6.131 3.617 -5.403 1.00 0.00 C ATOM 73 O VAL A 5 -5.184 4.400 -5.474 1.00 0.00 O ATOM 74 CB VAL A 5 -8.366 4.696 -5.992 1.00 0.00 C ATOM 75 CG1 VAL A 5 -7.767 6.006 -6.508 1.00 0.00 C ATOM 76 CG2 VAL A 5 -8.577 3.702 -7.136 1.00 0.00 C ATOM 0 H VAL A 5 -7.108 6.006 -4.138 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.023 3.212 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.341 4.921 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.407 6.416 -7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.692 6.720 -5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.774 5.816 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.201 4.159 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.612 3.431 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.068 2.807 -6.754 1.00 0.00 H new ATOM 86 N ALA A 6 -6.074 2.338 -5.747 1.00 0.00 N ATOM 87 CA ALA A 6 -4.843 1.752 -6.249 1.00 0.00 C ATOM 88 C ALA A 6 -4.761 1.967 -7.762 1.00 0.00 C ATOM 89 O ALA A 6 -5.730 1.727 -8.481 1.00 0.00 O ATOM 90 CB ALA A 6 -4.788 0.272 -5.867 1.00 0.00 C ATOM 0 H ALA A 6 -6.861 1.692 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.976 2.237 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.864 -0.167 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.819 0.175 -4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.641 -0.248 -6.303 1.00 0.00 H new ATOM 96 N LEU A 7 -3.595 2.417 -8.202 1.00 0.00 N ATOM 97 CA LEU A 7 -3.373 2.667 -9.616 1.00 0.00 C ATOM 98 C LEU A 7 -2.851 1.391 -10.279 1.00 0.00 C ATOM 99 O LEU A 7 -3.533 0.798 -11.114 1.00 0.00 O ATOM 100 CB LEU A 7 -2.460 3.878 -9.810 1.00 0.00 C ATOM 101 CG LEU A 7 -2.847 4.836 -10.938 1.00 0.00 C ATOM 102 CD1 LEU A 7 -2.724 6.293 -10.486 1.00 0.00 C ATOM 103 CD2 LEU A 7 -2.027 4.557 -12.200 1.00 0.00 C ATOM 0 H LEU A 7 -2.793 2.615 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.311 2.923 -10.109 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.432 4.440 -8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.448 3.519 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.894 4.663 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.005 6.953 -11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.385 6.468 -9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.694 6.497 -10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.322 5.252 -12.986 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.967 4.685 -11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.207 3.535 -12.533 1.00 0.00 H new ATOM 115 N TYR A 8 -1.648 1.005 -9.882 1.00 0.00 N ATOM 116 CA TYR A 8 -1.027 -0.189 -10.428 1.00 0.00 C ATOM 117 C TYR A 8 -0.476 -1.080 -9.312 1.00 0.00 C ATOM 118 O TYR A 8 -0.158 -0.596 -8.227 1.00 0.00 O ATOM 119 CB TYR A 8 0.136 0.298 -11.295 1.00 0.00 C ATOM 120 CG TYR A 8 0.619 -0.728 -12.323 1.00 0.00 C ATOM 121 CD1 TYR A 8 -0.261 -1.232 -13.259 1.00 0.00 C ATOM 122 CD2 TYR A 8 1.933 -1.149 -12.314 1.00 0.00 C ATOM 123 CE1 TYR A 8 0.193 -2.197 -14.227 1.00 0.00 C ATOM 124 CE2 TYR A 8 2.386 -2.114 -13.281 1.00 0.00 C ATOM 125 CZ TYR A 8 1.494 -2.590 -14.190 1.00 0.00 C ATOM 126 OH TYR A 8 1.923 -3.502 -15.104 1.00 0.00 O ATOM 0 H TYR A 8 -1.086 1.498 -9.188 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.753 -0.774 -10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.169 1.205 -11.818 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.970 0.568 -10.647 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -1.290 -0.903 -13.266 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.621 -0.754 -11.581 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.485 -2.599 -14.965 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.412 -2.452 -13.284 1.00 0.00 H new ATOM 0 HH TYR A 8 2.874 -3.688 -14.959 1.00 0.00 H new ATOM 136 N ASP A 9 -0.383 -2.366 -9.617 1.00 0.00 N ATOM 137 CA ASP A 9 0.123 -3.328 -8.653 1.00 0.00 C ATOM 138 C ASP A 9 1.650 -3.234 -8.597 1.00 0.00 C ATOM 139 O ASP A 9 2.288 -2.852 -9.576 1.00 0.00 O ATOM 140 CB ASP A 9 -0.248 -4.757 -9.056 1.00 0.00 C ATOM 141 CG ASP A 9 0.203 -5.172 -10.457 1.00 0.00 C ATOM 142 OD1 ASP A 9 -0.092 -4.491 -11.451 1.00 0.00 O ATOM 143 OD2 ASP A 9 0.896 -6.259 -10.508 1.00 0.00 O ATOM 0 H ASP A 9 -0.649 -2.764 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.320 -3.099 -7.684 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.186 -5.447 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.331 -4.867 -8.992 1.00 0.00 H new ATOM 149 N TYR A 10 2.190 -3.587 -7.440 1.00 0.00 N ATOM 150 CA TYR A 10 3.628 -3.547 -7.243 1.00 0.00 C ATOM 151 C TYR A 10 4.232 -4.951 -7.318 1.00 0.00 C ATOM 152 O TYR A 10 3.844 -5.838 -6.559 1.00 0.00 O ATOM 153 CB TYR A 10 3.847 -2.985 -5.837 1.00 0.00 C ATOM 154 CG TYR A 10 2.916 -1.824 -5.480 1.00 0.00 C ATOM 155 CD1 TYR A 10 3.031 -0.619 -6.143 1.00 0.00 C ATOM 156 CD2 TYR A 10 1.962 -1.982 -4.495 1.00 0.00 C ATOM 157 CE1 TYR A 10 2.155 0.474 -5.806 1.00 0.00 C ATOM 158 CE2 TYR A 10 1.086 -0.889 -4.159 1.00 0.00 C ATOM 159 CZ TYR A 10 1.226 0.285 -4.832 1.00 0.00 C ATOM 160 OH TYR A 10 0.399 1.316 -4.514 1.00 0.00 O ATOM 0 H TYR A 10 1.657 -3.902 -6.629 1.00 0.00 H new ATOM 0 HA TYR A 10 4.103 -2.940 -8.014 1.00 0.00 H new ATOM 0 HB2 TYR A 10 3.708 -3.786 -5.111 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.880 -2.650 -5.747 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.777 -0.495 -6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.872 -2.925 -3.976 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.235 1.423 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.335 -0.999 -3.390 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.214 1.036 -3.802 1.00 0.00 H new ATOM 170 N GLU A 11 5.172 -5.109 -8.239 1.00 0.00 N ATOM 171 CA GLU A 11 5.832 -6.390 -8.421 1.00 0.00 C ATOM 172 C GLU A 11 7.075 -6.478 -7.534 1.00 0.00 C ATOM 173 O GLU A 11 7.964 -5.631 -7.618 1.00 0.00 O ATOM 174 CB GLU A 11 6.192 -6.617 -9.892 1.00 0.00 C ATOM 175 CG GLU A 11 4.931 -6.756 -10.749 1.00 0.00 C ATOM 176 CD GLU A 11 5.124 -7.812 -11.839 1.00 0.00 C ATOM 177 OE1 GLU A 11 6.039 -8.642 -11.744 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.280 -7.749 -12.813 1.00 0.00 O ATOM 0 H GLU A 11 5.492 -4.371 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 11 5.140 -7.178 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.794 -5.784 -10.256 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.802 -7.516 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.086 -7.030 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.690 -5.796 -11.206 1.00 0.00 H new ATOM 186 N ALA A 12 7.099 -7.510 -6.704 1.00 0.00 N ATOM 187 CA ALA A 12 8.218 -7.719 -5.802 1.00 0.00 C ATOM 188 C ALA A 12 8.405 -9.220 -5.567 1.00 0.00 C ATOM 189 O ALA A 12 7.436 -9.940 -5.326 1.00 0.00 O ATOM 190 CB ALA A 12 7.976 -6.951 -4.501 1.00 0.00 C ATOM 0 H ALA A 12 6.361 -8.211 -6.637 1.00 0.00 H new ATOM 0 HA ALA A 12 9.140 -7.336 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.816 -7.108 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.879 -5.887 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.060 -7.310 -4.032 1.00 0.00 H new ATOM 196 N ARG A 13 9.656 -9.648 -5.644 1.00 0.00 N ATOM 197 CA ARG A 13 9.982 -11.049 -5.443 1.00 0.00 C ATOM 198 C ARG A 13 10.989 -11.202 -4.302 1.00 0.00 C ATOM 199 O ARG A 13 12.051 -11.795 -4.481 1.00 0.00 O ATOM 200 CB ARG A 13 10.566 -11.667 -6.715 1.00 0.00 C ATOM 201 CG ARG A 13 9.510 -12.480 -7.466 1.00 0.00 C ATOM 202 CD ARG A 13 9.459 -13.920 -6.954 1.00 0.00 C ATOM 203 NE ARG A 13 9.224 -13.930 -5.492 1.00 0.00 N ATOM 204 CZ ARG A 13 9.437 -15.001 -4.700 1.00 0.00 C ATOM 205 NH1 ARG A 13 9.892 -16.161 -5.220 1.00 0.00 N ATOM 206 NH2 ARG A 13 9.194 -14.898 -3.406 1.00 0.00 N ATOM 0 H ARG A 13 10.457 -9.048 -5.843 1.00 0.00 H new ATOM 0 HA ARG A 13 9.059 -11.570 -5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.951 -10.879 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.409 -12.309 -6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.533 -12.013 -7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.735 -12.477 -8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.665 -14.467 -7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.395 -14.430 -7.184 1.00 0.00 H new ATOM 0 HE ARG A 13 8.880 -13.074 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.078 -16.233 -6.220 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.050 -16.965 -4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.851 -14.018 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.350 -15.698 -2.793 1.00 0.00 H new ATOM 219 N THR A 14 10.618 -10.656 -3.152 1.00 0.00 N ATOM 220 CA THR A 14 11.476 -10.724 -1.981 1.00 0.00 C ATOM 221 C THR A 14 10.668 -11.144 -0.752 1.00 0.00 C ATOM 222 O THR A 14 9.440 -11.199 -0.801 1.00 0.00 O ATOM 223 CB THR A 14 12.165 -9.367 -1.821 1.00 0.00 C ATOM 224 OG1 THR A 14 11.494 -8.524 -2.753 1.00 0.00 O ATOM 225 CG2 THR A 14 13.615 -9.385 -2.311 1.00 0.00 C ATOM 0 H THR A 14 9.736 -10.165 -3.007 1.00 0.00 H new ATOM 0 HA THR A 14 12.248 -11.485 -2.099 1.00 0.00 H new ATOM 0 HB THR A 14 12.140 -9.069 -0.773 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.877 -7.623 -2.714 1.00 0.00 H new ATOM 0 HG21 THR A 14 14.057 -8.398 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 14 14.183 -10.119 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.639 -9.651 -3.368 1.00 0.00 H new ATOM 233 N GLU A 15 11.390 -11.429 0.322 1.00 0.00 N ATOM 234 CA GLU A 15 10.755 -11.842 1.562 1.00 0.00 C ATOM 235 C GLU A 15 10.414 -10.620 2.417 1.00 0.00 C ATOM 236 O GLU A 15 9.965 -10.758 3.553 1.00 0.00 O ATOM 237 CB GLU A 15 11.643 -12.821 2.333 1.00 0.00 C ATOM 238 CG GLU A 15 11.265 -14.269 2.020 1.00 0.00 C ATOM 239 CD GLU A 15 10.591 -14.933 3.222 1.00 0.00 C ATOM 240 OE1 GLU A 15 11.205 -15.044 4.293 1.00 0.00 O ATOM 241 OE2 GLU A 15 9.385 -15.341 3.015 1.00 0.00 O ATOM 0 H GLU A 15 12.408 -11.382 0.359 1.00 0.00 H new ATOM 0 HA GLU A 15 9.827 -12.359 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.688 -12.650 2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.546 -12.640 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.594 -14.296 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.158 -14.830 1.744 1.00 0.00 H new ATOM 249 N ASP A 16 10.642 -9.450 1.838 1.00 0.00 N ATOM 250 CA ASP A 16 10.365 -8.204 2.533 1.00 0.00 C ATOM 251 C ASP A 16 8.993 -7.680 2.103 1.00 0.00 C ATOM 252 O ASP A 16 8.076 -7.590 2.917 1.00 0.00 O ATOM 253 CB ASP A 16 11.408 -7.139 2.189 1.00 0.00 C ATOM 254 CG ASP A 16 12.727 -7.256 2.953 1.00 0.00 C ATOM 255 OD1 ASP A 16 12.887 -8.125 3.823 1.00 0.00 O ATOM 256 OD2 ASP A 16 13.628 -6.394 2.620 1.00 0.00 O ATOM 0 H ASP A 16 11.015 -9.339 0.895 1.00 0.00 H new ATOM 0 HA ASP A 16 10.391 -8.401 3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.619 -7.190 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.979 -6.156 2.383 1.00 0.00 H new ATOM 262 N ASP A 17 8.896 -7.348 0.824 1.00 0.00 N ATOM 263 CA ASP A 17 7.652 -6.834 0.276 1.00 0.00 C ATOM 264 C ASP A 17 7.014 -7.901 -0.616 1.00 0.00 C ATOM 265 O ASP A 17 7.702 -8.789 -1.118 1.00 0.00 O ATOM 266 CB ASP A 17 7.898 -5.589 -0.579 1.00 0.00 C ATOM 267 CG ASP A 17 9.265 -4.929 -0.381 1.00 0.00 C ATOM 268 OD1 ASP A 17 9.736 -4.765 0.754 1.00 0.00 O ATOM 269 OD2 ASP A 17 9.860 -4.571 -1.467 1.00 0.00 O ATOM 0 H ASP A 17 9.659 -7.425 0.151 1.00 0.00 H new ATOM 0 HA ASP A 17 6.998 -6.575 1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.791 -5.861 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.122 -4.856 -0.359 1.00 0.00 H new ATOM 275 N LEU A 18 5.706 -7.780 -0.786 1.00 0.00 N ATOM 276 CA LEU A 18 4.967 -8.723 -1.609 1.00 0.00 C ATOM 277 C LEU A 18 4.195 -7.958 -2.686 1.00 0.00 C ATOM 278 O LEU A 18 4.041 -6.741 -2.598 1.00 0.00 O ATOM 279 CB LEU A 18 4.083 -9.616 -0.736 1.00 0.00 C ATOM 280 CG LEU A 18 4.817 -10.557 0.222 1.00 0.00 C ATOM 281 CD1 LEU A 18 4.945 -9.935 1.612 1.00 0.00 C ATOM 282 CD2 LEU A 18 4.141 -11.929 0.267 1.00 0.00 C ATOM 0 H LEU A 18 5.138 -7.043 -0.368 1.00 0.00 H new ATOM 0 HA LEU A 18 5.651 -9.397 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.422 -8.977 -0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.450 -10.216 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 18 5.828 -10.708 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.470 -10.625 2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.504 -9.002 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.952 -9.734 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.682 -12.579 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.112 -11.816 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.147 -12.370 -0.730 1.00 0.00 H new ATOM 294 N SER A 19 3.732 -8.704 -3.678 1.00 0.00 N ATOM 295 CA SER A 19 2.980 -8.111 -4.772 1.00 0.00 C ATOM 296 C SER A 19 1.536 -7.857 -4.337 1.00 0.00 C ATOM 297 O SER A 19 0.965 -8.642 -3.581 1.00 0.00 O ATOM 298 CB SER A 19 3.012 -9.007 -6.011 1.00 0.00 C ATOM 299 OG SER A 19 3.170 -10.383 -5.671 1.00 0.00 O ATOM 0 H SER A 19 3.863 -9.713 -3.748 1.00 0.00 H new ATOM 0 HA SER A 19 3.446 -7.161 -5.032 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.089 -8.877 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.831 -8.698 -6.661 1.00 0.00 H new ATOM 0 HG SER A 19 3.184 -10.923 -6.489 1.00 0.00 H new ATOM 305 N PHE A 20 0.986 -6.759 -4.832 1.00 0.00 N ATOM 306 CA PHE A 20 -0.380 -6.392 -4.504 1.00 0.00 C ATOM 307 C PHE A 20 -1.270 -6.421 -5.749 1.00 0.00 C ATOM 308 O PHE A 20 -0.824 -6.814 -6.826 1.00 0.00 O ATOM 309 CB PHE A 20 -0.341 -4.965 -3.954 1.00 0.00 C ATOM 310 CG PHE A 20 -0.713 -4.857 -2.474 1.00 0.00 C ATOM 311 CD1 PHE A 20 -1.988 -5.106 -2.074 1.00 0.00 C ATOM 312 CD2 PHE A 20 0.232 -4.513 -1.559 1.00 0.00 C ATOM 313 CE1 PHE A 20 -2.333 -5.007 -0.700 1.00 0.00 C ATOM 314 CE2 PHE A 20 -0.112 -4.414 -0.185 1.00 0.00 C ATOM 315 CZ PHE A 20 -1.389 -4.663 0.215 1.00 0.00 C ATOM 0 H PHE A 20 1.463 -6.111 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.790 -7.096 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.660 -4.559 -4.097 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.022 -4.344 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.739 -5.379 -2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.245 -4.315 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.346 -5.205 -0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.639 -4.141 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.652 -4.587 1.260 1.00 0.00 H new ATOM 325 N HIS A 21 -2.512 -6.001 -5.560 1.00 0.00 N ATOM 326 CA HIS A 21 -3.468 -5.976 -6.654 1.00 0.00 C ATOM 327 C HIS A 21 -4.218 -4.642 -6.647 1.00 0.00 C ATOM 328 O HIS A 21 -4.720 -4.213 -5.609 1.00 0.00 O ATOM 329 CB HIS A 21 -4.405 -7.183 -6.586 1.00 0.00 C ATOM 330 CG HIS A 21 -4.165 -8.207 -7.669 1.00 0.00 C ATOM 331 ND1 HIS A 21 -3.286 -7.999 -8.717 1.00 0.00 N ATOM 332 CD2 HIS A 21 -4.697 -9.450 -7.854 1.00 0.00 C ATOM 333 CE1 HIS A 21 -3.297 -9.072 -9.492 1.00 0.00 C ATOM 334 NE2 HIS A 21 -4.173 -9.971 -8.956 1.00 0.00 N ATOM 0 H HIS A 21 -2.879 -5.675 -4.666 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.941 -6.053 -7.605 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -4.292 -7.664 -5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -5.436 -6.834 -6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.422 -9.929 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.715 -9.212 -10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.389 -10.891 -9.339 1.00 0.00 H new ATOM 342 N LYS A 22 -4.271 -4.024 -7.819 1.00 0.00 N ATOM 343 CA LYS A 22 -4.953 -2.749 -7.961 1.00 0.00 C ATOM 344 C LYS A 22 -6.462 -2.986 -8.029 1.00 0.00 C ATOM 345 O LYS A 22 -6.909 -4.053 -8.448 1.00 0.00 O ATOM 346 CB LYS A 22 -4.397 -1.975 -9.159 1.00 0.00 C ATOM 347 CG LYS A 22 -4.269 -2.882 -10.385 1.00 0.00 C ATOM 348 CD LYS A 22 -5.125 -2.363 -11.542 1.00 0.00 C ATOM 349 CE LYS A 22 -5.121 -3.350 -12.712 1.00 0.00 C ATOM 350 NZ LYS A 22 -6.247 -4.302 -12.589 1.00 0.00 N ATOM 0 H LYS A 22 -3.853 -4.383 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.769 -2.120 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.052 -1.135 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.422 -1.558 -8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.225 -2.935 -10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.577 -3.895 -10.126 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.147 -2.203 -11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.746 -1.397 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.197 -2.807 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.177 -3.895 -12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.230 -4.965 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.157 -4.832 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.146 -3.779 -12.591 1.00 0.00 H new ATOM 363 N GLY A 23 -7.207 -1.973 -7.610 1.00 0.00 N ATOM 364 CA GLY A 23 -8.658 -2.058 -7.619 1.00 0.00 C ATOM 365 C GLY A 23 -9.228 -1.837 -6.216 1.00 0.00 C ATOM 366 O GLY A 23 -10.234 -1.149 -6.052 1.00 0.00 O ATOM 0 H GLY A 23 -6.833 -1.090 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.065 -1.313 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.967 -3.035 -7.991 1.00 0.00 H new ATOM 370 N GLU A 24 -8.560 -2.434 -5.240 1.00 0.00 N ATOM 371 CA GLU A 24 -8.987 -2.312 -3.856 1.00 0.00 C ATOM 372 C GLU A 24 -8.532 -0.971 -3.278 1.00 0.00 C ATOM 373 O GLU A 24 -7.902 -0.173 -3.970 1.00 0.00 O ATOM 374 CB GLU A 24 -8.465 -3.478 -3.016 1.00 0.00 C ATOM 375 CG GLU A 24 -9.214 -4.771 -3.345 1.00 0.00 C ATOM 376 CD GLU A 24 -8.553 -5.504 -4.515 1.00 0.00 C ATOM 377 OE1 GLU A 24 -7.380 -5.893 -4.421 1.00 0.00 O ATOM 378 OE2 GLU A 24 -9.305 -5.666 -5.552 1.00 0.00 O ATOM 0 H GLU A 24 -7.726 -3.004 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.076 -2.347 -3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.399 -3.614 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.579 -3.247 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.232 -5.419 -2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.250 -4.542 -3.593 1.00 0.00 H new ATOM 386 N LYS A 25 -8.868 -0.764 -2.012 1.00 0.00 N ATOM 387 CA LYS A 25 -8.502 0.466 -1.332 1.00 0.00 C ATOM 388 C LYS A 25 -7.265 0.217 -0.469 1.00 0.00 C ATOM 389 O LYS A 25 -6.693 -0.873 -0.495 1.00 0.00 O ATOM 390 CB LYS A 25 -9.695 1.023 -0.551 1.00 0.00 C ATOM 391 CG LYS A 25 -10.572 -0.108 -0.012 1.00 0.00 C ATOM 392 CD LYS A 25 -11.705 -0.437 -0.987 1.00 0.00 C ATOM 393 CE LYS A 25 -12.917 0.464 -0.744 1.00 0.00 C ATOM 394 NZ LYS A 25 -12.925 1.593 -1.700 1.00 0.00 N ATOM 0 H LYS A 25 -9.390 -1.428 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.237 1.237 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.338 1.637 0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.287 1.671 -1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.963 -0.996 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.990 0.179 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.355 -0.313 -2.012 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.995 -1.481 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.835 -0.115 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.895 0.845 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.899 1.936 -1.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.331 2.364 -1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.550 1.275 -2.616 1.00 0.00 H new ATOM 407 N PHE A 26 -6.886 1.245 0.277 1.00 0.00 N ATOM 408 CA PHE A 26 -5.726 1.150 1.147 1.00 0.00 C ATOM 409 C PHE A 26 -5.958 1.910 2.455 1.00 0.00 C ATOM 410 O PHE A 26 -6.514 3.008 2.449 1.00 0.00 O ATOM 411 CB PHE A 26 -4.553 1.791 0.401 1.00 0.00 C ATOM 412 CG PHE A 26 -3.323 0.890 0.286 1.00 0.00 C ATOM 413 CD1 PHE A 26 -3.358 -0.210 -0.513 1.00 0.00 C ATOM 414 CD2 PHE A 26 -2.193 1.190 0.982 1.00 0.00 C ATOM 415 CE1 PHE A 26 -2.215 -1.047 -0.619 1.00 0.00 C ATOM 416 CE2 PHE A 26 -1.050 0.353 0.874 1.00 0.00 C ATOM 417 CZ PHE A 26 -1.085 -0.747 0.076 1.00 0.00 C ATOM 0 H PHE A 26 -7.362 2.147 0.297 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.531 0.106 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.881 2.070 -0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.270 2.711 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.254 -0.447 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.165 2.064 1.616 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.243 -1.922 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.153 0.591 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.216 -1.383 -0.006 1.00 0.00 H new ATOM 427 N GLN A 27 -5.523 1.296 3.545 1.00 0.00 N ATOM 428 CA GLN A 27 -5.677 1.900 4.858 1.00 0.00 C ATOM 429 C GLN A 27 -4.586 2.947 5.090 1.00 0.00 C ATOM 430 O GLN A 27 -3.592 2.985 4.366 1.00 0.00 O ATOM 431 CB GLN A 27 -5.660 0.836 5.957 1.00 0.00 C ATOM 432 CG GLN A 27 -7.081 0.490 6.407 1.00 0.00 C ATOM 433 CD GLN A 27 -7.559 1.450 7.499 1.00 0.00 C ATOM 434 OE1 GLN A 27 -6.807 1.873 8.361 1.00 0.00 O ATOM 435 NE2 GLN A 27 -8.847 1.769 7.413 1.00 0.00 N ATOM 0 H GLN A 27 -5.063 0.385 3.546 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.646 2.398 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.162 -0.062 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.083 1.197 6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.758 0.537 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.109 -0.534 6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.420 1.378 6.665 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.262 2.404 8.095 1.00 0.00 H new ATOM 444 N ILE A 28 -4.807 3.770 6.104 1.00 0.00 N ATOM 445 CA ILE A 28 -3.855 4.814 6.443 1.00 0.00 C ATOM 446 C ILE A 28 -3.305 4.562 7.848 1.00 0.00 C ATOM 447 O ILE A 28 -4.009 4.753 8.838 1.00 0.00 O ATOM 448 CB ILE A 28 -4.491 6.195 6.270 1.00 0.00 C ATOM 449 CG1 ILE A 28 -3.593 7.289 6.851 1.00 0.00 C ATOM 450 CG2 ILE A 28 -5.898 6.231 6.871 1.00 0.00 C ATOM 451 CD1 ILE A 28 -4.308 8.642 6.855 1.00 0.00 C ATOM 0 H ILE A 28 -5.632 3.735 6.702 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.006 4.791 5.760 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.591 6.393 5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.303 7.024 7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.676 7.360 6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.327 7.224 6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.526 5.493 6.372 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.845 6.002 7.935 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.647 9.401 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.575 8.915 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.212 8.574 7.461 1.00 0.00 H new ATOM 463 N LEU A 29 -2.051 4.136 7.891 1.00 0.00 N ATOM 464 CA LEU A 29 -1.398 3.856 9.158 1.00 0.00 C ATOM 465 C LEU A 29 -0.084 4.635 9.233 1.00 0.00 C ATOM 466 O LEU A 29 -0.045 5.742 9.768 1.00 0.00 O ATOM 467 CB LEU A 29 -1.231 2.347 9.352 1.00 0.00 C ATOM 468 CG LEU A 29 -1.989 1.734 10.530 1.00 0.00 C ATOM 469 CD1 LEU A 29 -3.501 1.835 10.322 1.00 0.00 C ATOM 470 CD2 LEU A 29 -1.540 0.293 10.782 1.00 0.00 C ATOM 0 H LEU A 29 -1.470 3.978 7.068 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.017 4.195 9.989 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.552 1.846 8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.170 2.132 9.477 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.748 2.307 11.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.016 1.392 11.174 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.786 2.883 10.231 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.780 1.302 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.095 -0.119 11.625 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.731 -0.308 9.893 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.474 0.278 11.008 1.00 0.00 H new ATOM 482 N ASN A 30 0.959 4.026 8.690 1.00 0.00 N ATOM 483 CA ASN A 30 2.273 4.650 8.689 1.00 0.00 C ATOM 484 C ASN A 30 2.179 6.026 8.028 1.00 0.00 C ATOM 485 O ASN A 30 1.586 6.166 6.960 1.00 0.00 O ATOM 486 CB ASN A 30 3.279 3.812 7.898 1.00 0.00 C ATOM 487 CG ASN A 30 4.628 3.754 8.616 1.00 0.00 C ATOM 488 OD1 ASN A 30 5.026 4.666 9.322 1.00 0.00 O ATOM 489 ND2 ASN A 30 5.309 2.632 8.399 1.00 0.00 N ATOM 0 H ASN A 30 0.922 3.108 8.248 1.00 0.00 H new ATOM 0 HA ASN A 30 2.608 4.734 9.723 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.891 2.802 7.764 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.410 4.238 6.903 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.221 2.497 8.835 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.919 1.907 7.797 1.00 0.00 H new ATOM 496 N SER A 31 2.772 7.007 8.691 1.00 0.00 N ATOM 497 CA SER A 31 2.762 8.368 8.182 1.00 0.00 C ATOM 498 C SER A 31 3.942 9.152 8.761 1.00 0.00 C ATOM 499 O SER A 31 3.843 9.710 9.853 1.00 0.00 O ATOM 500 CB SER A 31 1.444 9.071 8.511 1.00 0.00 C ATOM 501 OG SER A 31 0.749 9.481 7.336 1.00 0.00 O ATOM 0 H SER A 31 3.263 6.887 9.577 1.00 0.00 H new ATOM 0 HA SER A 31 2.858 8.327 7.097 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.810 8.400 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.644 9.941 9.136 1.00 0.00 H new ATOM 0 HG SER A 31 1.192 9.106 6.546 1.00 0.00 H new ATOM 507 N SER A 32 5.028 9.170 8.004 1.00 0.00 N ATOM 508 CA SER A 32 6.225 9.877 8.429 1.00 0.00 C ATOM 509 C SER A 32 6.626 10.908 7.373 1.00 0.00 C ATOM 510 O SER A 32 6.172 12.051 7.412 1.00 0.00 O ATOM 511 CB SER A 32 7.378 8.903 8.686 1.00 0.00 C ATOM 512 OG SER A 32 7.939 9.072 9.984 1.00 0.00 O ATOM 0 H SER A 32 5.105 8.707 7.099 1.00 0.00 H new ATOM 0 HA SER A 32 6.005 10.392 9.364 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.019 7.880 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.153 9.052 7.934 1.00 0.00 H new ATOM 0 HG SER A 32 8.670 8.432 10.110 1.00 0.00 H new ATOM 518 N GLU A 33 7.474 10.468 6.454 1.00 0.00 N ATOM 519 CA GLU A 33 7.941 11.340 5.389 1.00 0.00 C ATOM 520 C GLU A 33 7.526 10.781 4.026 1.00 0.00 C ATOM 521 O GLU A 33 6.756 11.410 3.301 1.00 0.00 O ATOM 522 CB GLU A 33 9.457 11.533 5.464 1.00 0.00 C ATOM 523 CG GLU A 33 9.806 12.923 5.999 1.00 0.00 C ATOM 524 CD GLU A 33 10.473 13.774 4.917 1.00 0.00 C ATOM 525 OE1 GLU A 33 9.815 14.632 4.309 1.00 0.00 O ATOM 526 OE2 GLU A 33 11.722 13.522 4.716 1.00 0.00 O ATOM 0 H GLU A 33 7.849 9.520 6.425 1.00 0.00 H new ATOM 0 HA GLU A 33 7.477 12.318 5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.893 10.771 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.894 11.400 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.901 13.419 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.473 12.830 6.856 1.00 0.00 H new ATOM 534 N GLY A 34 8.056 9.606 3.718 1.00 0.00 N ATOM 535 CA GLY A 34 7.751 8.956 2.455 1.00 0.00 C ATOM 536 C GLY A 34 8.895 8.039 2.019 1.00 0.00 C ATOM 537 O GLY A 34 9.835 8.482 1.363 1.00 0.00 O ATOM 0 H GLY A 34 8.695 9.088 4.321 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.833 8.376 2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.572 9.710 1.688 1.00 0.00 H new ATOM 541 N ASP A 35 8.777 6.776 2.403 1.00 0.00 N ATOM 542 CA ASP A 35 9.790 5.792 2.061 1.00 0.00 C ATOM 543 C ASP A 35 9.219 4.387 2.260 1.00 0.00 C ATOM 544 O ASP A 35 8.948 3.680 1.291 1.00 0.00 O ATOM 545 CB ASP A 35 11.021 5.934 2.958 1.00 0.00 C ATOM 546 CG ASP A 35 12.333 5.448 2.339 1.00 0.00 C ATOM 547 OD1 ASP A 35 13.402 6.036 2.564 1.00 0.00 O ATOM 548 OD2 ASP A 35 12.227 4.407 1.584 1.00 0.00 O ATOM 0 H ASP A 35 7.995 6.412 2.948 1.00 0.00 H new ATOM 0 HA ASP A 35 10.080 5.954 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.133 6.983 3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.845 5.381 3.880 1.00 0.00 H new ATOM 554 N TRP A 36 9.052 4.025 3.524 1.00 0.00 N ATOM 555 CA TRP A 36 8.518 2.717 3.863 1.00 0.00 C ATOM 556 C TRP A 36 7.231 2.926 4.665 1.00 0.00 C ATOM 557 O TRP A 36 7.280 3.307 5.834 1.00 0.00 O ATOM 558 CB TRP A 36 9.557 1.876 4.607 1.00 0.00 C ATOM 559 CG TRP A 36 10.614 1.246 3.698 1.00 0.00 C ATOM 560 CD1 TRP A 36 10.644 1.224 2.359 1.00 0.00 C ATOM 561 CD2 TRP A 36 11.802 0.543 4.120 1.00 0.00 C ATOM 562 NE1 TRP A 36 11.759 0.562 1.888 1.00 0.00 N ATOM 563 CE2 TRP A 36 12.486 0.135 2.993 1.00 0.00 C ATOM 564 CE3 TRP A 36 12.284 0.262 5.411 1.00 0.00 C ATOM 565 CZ2 TRP A 36 13.689 -0.579 3.043 1.00 0.00 C ATOM 566 CZ3 TRP A 36 13.487 -0.452 5.443 1.00 0.00 C ATOM 567 CH2 TRP A 36 14.187 -0.871 4.318 1.00 0.00 C ATOM 0 H TRP A 36 9.277 4.615 4.325 1.00 0.00 H new ATOM 0 HA TRP A 36 8.279 2.152 2.962 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.055 2.503 5.346 1.00 0.00 H new ATOM 0 HB3 TRP A 36 9.045 1.085 5.154 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.890 1.669 1.727 1.00 0.00 H new ATOM 0 HE1 TRP A 36 12.005 0.413 0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 36 11.767 0.573 6.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 14.205 -0.888 2.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.901 -0.695 6.411 1.00 0.00 H new ATOM 0 HH2 TRP A 36 15.111 -1.419 4.427 1.00 0.00 H new ATOM 578 N TRP A 37 6.112 2.665 4.006 1.00 0.00 N ATOM 579 CA TRP A 37 4.815 2.819 4.643 1.00 0.00 C ATOM 580 C TRP A 37 4.277 1.424 4.963 1.00 0.00 C ATOM 581 O TRP A 37 4.806 0.424 4.480 1.00 0.00 O ATOM 582 CB TRP A 37 3.868 3.640 3.767 1.00 0.00 C ATOM 583 CG TRP A 37 3.852 5.133 4.095 1.00 0.00 C ATOM 584 CD1 TRP A 37 4.874 5.900 4.503 1.00 0.00 C ATOM 585 CD2 TRP A 37 2.713 6.018 4.025 1.00 0.00 C ATOM 586 NE1 TRP A 37 4.479 7.207 4.701 1.00 0.00 N ATOM 587 CE2 TRP A 37 3.123 7.280 4.401 1.00 0.00 C ATOM 588 CE3 TRP A 37 1.382 5.759 3.655 1.00 0.00 C ATOM 589 CZ2 TRP A 37 2.262 8.385 4.444 1.00 0.00 C ATOM 590 CZ3 TRP A 37 0.535 6.873 3.705 1.00 0.00 C ATOM 591 CH2 TRP A 37 0.931 8.151 4.081 1.00 0.00 C ATOM 0 H TRP A 37 6.076 2.348 3.037 1.00 0.00 H new ATOM 0 HA TRP A 37 4.906 3.378 5.574 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.153 3.511 2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.858 3.245 3.873 1.00 0.00 H new ATOM 0 HD1 TRP A 37 5.880 5.539 4.657 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.072 7.977 5.010 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.040 4.779 3.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.607 9.364 4.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.500 6.729 3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.215 8.959 4.093 1.00 0.00 H new ATOM 602 N GLU A 38 3.230 1.399 5.775 1.00 0.00 N ATOM 603 CA GLU A 38 2.614 0.143 6.165 1.00 0.00 C ATOM 604 C GLU A 38 1.475 -0.209 5.207 1.00 0.00 C ATOM 605 O GLU A 38 0.581 0.602 4.975 1.00 0.00 O ATOM 606 CB GLU A 38 2.116 0.201 7.611 1.00 0.00 C ATOM 607 CG GLU A 38 2.626 -0.997 8.415 1.00 0.00 C ATOM 608 CD GLU A 38 1.994 -1.029 9.809 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.823 -1.410 9.950 1.00 0.00 O ATOM 610 OE2 GLU A 38 2.768 -0.643 10.766 1.00 0.00 O ATOM 0 H GLU A 38 2.793 2.230 6.174 1.00 0.00 H new ATOM 0 HA GLU A 38 3.368 -0.642 6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.452 1.127 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.026 0.215 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.394 -1.921 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.711 -0.945 8.504 1.00 0.00 H new ATOM 618 N ALA A 39 1.544 -1.422 4.675 1.00 0.00 N ATOM 619 CA ALA A 39 0.530 -1.891 3.747 1.00 0.00 C ATOM 620 C ALA A 39 -0.523 -2.693 4.513 1.00 0.00 C ATOM 621 O ALA A 39 -0.223 -3.749 5.069 1.00 0.00 O ATOM 622 CB ALA A 39 1.193 -2.709 2.638 1.00 0.00 C ATOM 0 H ALA A 39 2.287 -2.093 4.870 1.00 0.00 H new ATOM 0 HA ALA A 39 0.024 -1.050 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.432 -3.061 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.912 -2.086 2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.708 -3.564 3.075 1.00 0.00 H new ATOM 628 N ARG A 40 -1.738 -2.163 4.519 1.00 0.00 N ATOM 629 CA ARG A 40 -2.837 -2.817 5.208 1.00 0.00 C ATOM 630 C ARG A 40 -4.103 -2.770 4.350 1.00 0.00 C ATOM 631 O ARG A 40 -4.730 -1.720 4.218 1.00 0.00 O ATOM 632 CB ARG A 40 -3.117 -2.148 6.555 1.00 0.00 C ATOM 633 CG ARG A 40 -3.411 -3.192 7.634 1.00 0.00 C ATOM 634 CD ARG A 40 -2.124 -3.642 8.327 1.00 0.00 C ATOM 635 NE ARG A 40 -2.307 -4.989 8.911 1.00 0.00 N ATOM 636 CZ ARG A 40 -1.347 -5.661 9.582 1.00 0.00 C ATOM 637 NH1 ARG A 40 -0.125 -5.114 9.759 1.00 0.00 N ATOM 638 NH2 ARG A 40 -1.620 -6.860 10.061 1.00 0.00 N ATOM 0 H ARG A 40 -1.985 -1.288 4.057 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.550 -3.854 5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.259 -1.545 6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.965 -1.470 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.098 -2.775 8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.907 -4.053 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.302 -3.656 7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.855 -2.931 9.109 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.216 -5.438 8.800 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.078 -4.187 9.385 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.595 -5.628 10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.545 -7.266 9.922 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.906 -7.381 10.570 1.00 0.00 H new ATOM 651 N SER A 41 -4.441 -3.921 3.789 1.00 0.00 N ATOM 652 CA SER A 41 -5.621 -4.025 2.946 1.00 0.00 C ATOM 653 C SER A 41 -6.828 -4.449 3.787 1.00 0.00 C ATOM 654 O SER A 41 -6.675 -5.137 4.794 1.00 0.00 O ATOM 655 CB SER A 41 -5.396 -5.016 1.803 1.00 0.00 C ATOM 656 OG SER A 41 -4.546 -6.093 2.188 1.00 0.00 O ATOM 0 H SER A 41 -3.919 -4.790 3.901 1.00 0.00 H new ATOM 0 HA SER A 41 -5.816 -3.046 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.356 -5.412 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.957 -4.494 0.952 1.00 0.00 H new ATOM 0 HG SER A 41 -4.429 -6.704 1.431 1.00 0.00 H new ATOM 662 N LEU A 42 -7.999 -4.020 3.340 1.00 0.00 N ATOM 663 CA LEU A 42 -9.230 -4.346 4.039 1.00 0.00 C ATOM 664 C LEU A 42 -9.991 -5.414 3.250 1.00 0.00 C ATOM 665 O LEU A 42 -11.217 -5.492 3.327 1.00 0.00 O ATOM 666 CB LEU A 42 -10.048 -3.080 4.305 1.00 0.00 C ATOM 667 CG LEU A 42 -11.000 -3.137 5.501 1.00 0.00 C ATOM 668 CD1 LEU A 42 -10.565 -2.161 6.596 1.00 0.00 C ATOM 669 CD2 LEU A 42 -12.447 -2.897 5.061 1.00 0.00 C ATOM 0 H LEU A 42 -8.121 -3.450 2.503 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.010 -4.768 5.020 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.358 -2.250 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.631 -2.853 3.412 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.954 -4.139 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.259 -2.222 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.562 -2.419 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.564 -1.146 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -13.104 -2.943 5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.528 -1.914 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.741 -3.663 4.343 1.00 0.00 H new ATOM 681 N THR A 43 -9.234 -6.208 2.508 1.00 0.00 N ATOM 682 CA THR A 43 -9.822 -7.268 1.706 1.00 0.00 C ATOM 683 C THR A 43 -9.174 -8.613 2.040 1.00 0.00 C ATOM 684 O THR A 43 -9.868 -9.588 2.321 1.00 0.00 O ATOM 685 CB THR A 43 -9.684 -6.877 0.233 1.00 0.00 C ATOM 686 OG1 THR A 43 -10.242 -5.567 0.168 1.00 0.00 O ATOM 687 CG2 THR A 43 -10.586 -7.710 -0.681 1.00 0.00 C ATOM 0 H THR A 43 -8.218 -6.139 2.445 1.00 0.00 H new ATOM 0 HA THR A 43 -10.882 -7.390 1.928 1.00 0.00 H new ATOM 0 HB THR A 43 -8.645 -6.993 -0.077 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.631 -5.421 -0.719 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.449 -7.392 -1.715 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.324 -8.764 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.627 -7.568 -0.392 1.00 0.00 H new ATOM 695 N THR A 44 -7.849 -8.622 1.999 1.00 0.00 N ATOM 696 CA THR A 44 -7.099 -9.830 2.295 1.00 0.00 C ATOM 697 C THR A 44 -6.453 -9.732 3.678 1.00 0.00 C ATOM 698 O THR A 44 -6.898 -10.383 4.623 1.00 0.00 O ATOM 699 CB THR A 44 -6.089 -10.048 1.166 1.00 0.00 C ATOM 700 OG1 THR A 44 -6.708 -9.455 0.027 1.00 0.00 O ATOM 701 CG2 THR A 44 -5.944 -11.523 0.787 1.00 0.00 C ATOM 0 H THR A 44 -7.276 -7.811 1.765 1.00 0.00 H new ATOM 0 HA THR A 44 -7.753 -10.701 2.338 1.00 0.00 H new ATOM 0 HB THR A 44 -5.118 -9.654 1.466 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.120 -9.550 -0.751 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.216 -11.622 -0.018 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.605 -12.090 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.907 -11.910 0.455 1.00 0.00 H new ATOM 709 N GLY A 45 -5.413 -8.915 3.754 1.00 0.00 N ATOM 710 CA GLY A 45 -4.701 -8.724 5.005 1.00 0.00 C ATOM 711 C GLY A 45 -3.214 -9.047 4.846 1.00 0.00 C ATOM 712 O GLY A 45 -2.706 -9.974 5.474 1.00 0.00 O ATOM 0 H GLY A 45 -5.046 -8.377 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.819 -7.694 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.135 -9.362 5.775 1.00 0.00 H new ATOM 716 N GLU A 46 -2.559 -8.263 4.002 1.00 0.00 N ATOM 717 CA GLU A 46 -1.140 -8.454 3.752 1.00 0.00 C ATOM 718 C GLU A 46 -0.349 -7.230 4.218 1.00 0.00 C ATOM 719 O GLU A 46 -0.921 -6.163 4.433 1.00 0.00 O ATOM 720 CB GLU A 46 -0.878 -8.746 2.273 1.00 0.00 C ATOM 721 CG GLU A 46 0.346 -9.647 2.100 1.00 0.00 C ATOM 722 CD GLU A 46 0.402 -10.231 0.686 1.00 0.00 C ATOM 723 OE1 GLU A 46 -0.143 -11.317 0.443 1.00 0.00 O ATOM 724 OE2 GLU A 46 1.039 -9.513 -0.175 1.00 0.00 O ATOM 0 H GLU A 46 -2.984 -7.495 3.483 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.804 -9.319 4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.752 -9.226 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.724 -7.810 1.736 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.253 -9.076 2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.313 -10.456 2.830 1.00 0.00 H new ATOM 732 N THR A 47 0.953 -7.426 4.359 1.00 0.00 N ATOM 733 CA THR A 47 1.829 -6.352 4.795 1.00 0.00 C ATOM 734 C THR A 47 3.206 -6.487 4.142 1.00 0.00 C ATOM 735 O THR A 47 3.617 -7.586 3.773 1.00 0.00 O ATOM 736 CB THR A 47 1.876 -6.371 6.324 1.00 0.00 C ATOM 737 OG1 THR A 47 2.499 -5.136 6.669 1.00 0.00 O ATOM 738 CG2 THR A 47 2.834 -7.435 6.866 1.00 0.00 C ATOM 0 H THR A 47 1.423 -8.313 4.179 1.00 0.00 H new ATOM 0 HA THR A 47 1.450 -5.380 4.480 1.00 0.00 H new ATOM 0 HB THR A 47 0.874 -6.549 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.568 -5.065 7.644 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.830 -7.407 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.513 -8.420 6.527 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.842 -7.237 6.501 1.00 0.00 H new ATOM 746 N GLY A 48 3.881 -5.353 4.020 1.00 0.00 N ATOM 747 CA GLY A 48 5.203 -5.332 3.417 1.00 0.00 C ATOM 748 C GLY A 48 5.877 -3.974 3.623 1.00 0.00 C ATOM 749 O GLY A 48 5.472 -3.200 4.490 1.00 0.00 O ATOM 0 H GLY A 48 3.538 -4.443 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.819 -6.118 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.124 -5.545 2.351 1.00 0.00 H new ATOM 753 N TYR A 49 6.894 -3.724 2.811 1.00 0.00 N ATOM 754 CA TYR A 49 7.627 -2.473 2.893 1.00 0.00 C ATOM 755 C TYR A 49 7.880 -1.893 1.500 1.00 0.00 C ATOM 756 O TYR A 49 8.840 -2.271 0.831 1.00 0.00 O ATOM 757 CB TYR A 49 8.971 -2.813 3.541 1.00 0.00 C ATOM 758 CG TYR A 49 8.905 -2.974 5.061 1.00 0.00 C ATOM 759 CD1 TYR A 49 9.066 -1.874 5.879 1.00 0.00 C ATOM 760 CD2 TYR A 49 8.684 -4.219 5.615 1.00 0.00 C ATOM 761 CE1 TYR A 49 9.004 -2.025 7.310 1.00 0.00 C ATOM 762 CE2 TYR A 49 8.622 -4.370 7.046 1.00 0.00 C ATOM 763 CZ TYR A 49 8.785 -3.265 7.822 1.00 0.00 C ATOM 764 OH TYR A 49 8.726 -3.408 9.174 1.00 0.00 O ATOM 0 H TYR A 49 7.227 -4.367 2.093 1.00 0.00 H new ATOM 0 HA TYR A 49 7.062 -1.735 3.462 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.350 -3.737 3.104 1.00 0.00 H new ATOM 0 HB3 TYR A 49 9.688 -2.028 3.300 1.00 0.00 H new ATOM 0 HD1 TYR A 49 9.239 -0.900 5.446 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.558 -5.080 4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.129 -1.173 7.961 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.450 -5.338 7.492 1.00 0.00 H new ATOM 0 HH TYR A 49 8.563 -4.348 9.397 1.00 0.00 H new ATOM 774 N ILE A 50 7.001 -0.983 1.104 1.00 0.00 N ATOM 775 CA ILE A 50 7.116 -0.348 -0.198 1.00 0.00 C ATOM 776 C ILE A 50 6.375 0.990 -0.175 1.00 0.00 C ATOM 777 O ILE A 50 5.402 1.152 0.560 1.00 0.00 O ATOM 778 CB ILE A 50 6.641 -1.296 -1.301 1.00 0.00 C ATOM 779 CG1 ILE A 50 5.529 -2.215 -0.792 1.00 0.00 C ATOM 780 CG2 ILE A 50 7.814 -2.084 -1.889 1.00 0.00 C ATOM 781 CD1 ILE A 50 4.792 -2.879 -1.957 1.00 0.00 C ATOM 0 H ILE A 50 6.206 -0.671 1.662 1.00 0.00 H new ATOM 0 HA ILE A 50 8.160 -0.131 -0.425 1.00 0.00 H new ATOM 0 HB ILE A 50 6.219 -0.698 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.953 -2.980 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.824 -1.641 -0.191 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.449 -2.750 -2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.542 -1.392 -2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.288 -2.672 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.006 -3.527 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.349 -2.112 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.495 -3.472 -2.542 1.00 0.00 H new ATOM 793 N PRO A 51 6.875 1.940 -1.009 1.00 0.00 N ATOM 794 CA PRO A 51 6.271 3.258 -1.091 1.00 0.00 C ATOM 795 C PRO A 51 4.822 3.168 -1.576 1.00 0.00 C ATOM 796 O PRO A 51 4.484 2.297 -2.377 1.00 0.00 O ATOM 797 CB PRO A 51 7.165 4.043 -2.037 1.00 0.00 C ATOM 798 CG PRO A 51 7.966 3.008 -2.809 1.00 0.00 C ATOM 799 CD PRO A 51 7.813 1.674 -2.096 1.00 0.00 C ATOM 0 HA PRO A 51 6.208 3.752 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.572 4.661 -2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 51 7.823 4.714 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.607 2.936 -3.836 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.016 3.297 -2.858 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.431 0.907 -2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 51 8.770 1.317 -1.715 1.00 0.00 H new ATOM 807 N SER A 52 4.004 4.079 -1.069 1.00 0.00 N ATOM 808 CA SER A 52 2.600 4.114 -1.440 1.00 0.00 C ATOM 809 C SER A 52 2.202 5.533 -1.849 1.00 0.00 C ATOM 810 O SER A 52 1.124 6.006 -1.491 1.00 0.00 O ATOM 811 CB SER A 52 1.716 3.624 -0.292 1.00 0.00 C ATOM 812 OG SER A 52 0.335 3.886 -0.532 1.00 0.00 O ATOM 0 H SER A 52 4.287 4.799 -0.404 1.00 0.00 H new ATOM 0 HA SER A 52 2.453 3.445 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.863 2.553 -0.153 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.022 4.111 0.634 1.00 0.00 H new ATOM 0 HG SER A 52 0.196 4.852 -0.624 1.00 0.00 H new ATOM 818 N ASN A 53 3.092 6.172 -2.595 1.00 0.00 N ATOM 819 CA ASN A 53 2.847 7.527 -3.057 1.00 0.00 C ATOM 820 C ASN A 53 2.401 7.490 -4.521 1.00 0.00 C ATOM 821 O ASN A 53 2.635 8.438 -5.268 1.00 0.00 O ATOM 822 CB ASN A 53 4.115 8.378 -2.970 1.00 0.00 C ATOM 823 CG ASN A 53 3.773 9.851 -2.747 1.00 0.00 C ATOM 824 OD1 ASN A 53 2.769 10.199 -2.148 1.00 0.00 O ATOM 825 ND2 ASN A 53 4.662 10.697 -3.261 1.00 0.00 N ATOM 0 H ASN A 53 3.984 5.776 -2.891 1.00 0.00 H new ATOM 0 HA ASN A 53 2.076 7.964 -2.423 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.742 8.019 -2.154 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.693 8.270 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.524 11.703 -3.165 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.482 10.340 -3.751 1.00 0.00 H new ATOM 832 N TYR A 54 1.769 6.384 -4.885 1.00 0.00 N ATOM 833 CA TYR A 54 1.289 6.211 -6.245 1.00 0.00 C ATOM 834 C TYR A 54 -0.239 6.157 -6.286 1.00 0.00 C ATOM 835 O TYR A 54 -0.820 5.618 -7.227 1.00 0.00 O ATOM 836 CB TYR A 54 1.848 4.868 -6.722 1.00 0.00 C ATOM 837 CG TYR A 54 3.235 4.963 -7.362 1.00 0.00 C ATOM 838 CD1 TYR A 54 3.416 5.713 -8.506 1.00 0.00 C ATOM 839 CD2 TYR A 54 4.302 4.299 -6.795 1.00 0.00 C ATOM 840 CE1 TYR A 54 4.722 5.802 -9.108 1.00 0.00 C ATOM 841 CE2 TYR A 54 5.608 4.387 -7.397 1.00 0.00 C ATOM 842 CZ TYR A 54 5.753 5.135 -8.524 1.00 0.00 C ATOM 843 OH TYR A 54 6.985 5.218 -9.093 1.00 0.00 O ATOM 0 H TYR A 54 1.578 5.599 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 54 1.607 7.044 -6.872 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.896 4.185 -5.874 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.156 4.433 -7.443 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.580 6.233 -8.950 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.159 3.713 -5.899 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.879 6.386 -10.003 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.452 3.871 -6.964 1.00 0.00 H new ATOM 0 HH TYR A 54 7.624 4.693 -8.568 1.00 0.00 H new ATOM 853 N VAL A 55 -0.847 6.723 -5.253 1.00 0.00 N ATOM 854 CA VAL A 55 -2.297 6.746 -5.159 1.00 0.00 C ATOM 855 C VAL A 55 -2.831 7.984 -5.883 1.00 0.00 C ATOM 856 O VAL A 55 -2.091 8.657 -6.599 1.00 0.00 O ATOM 857 CB VAL A 55 -2.727 6.680 -3.692 1.00 0.00 C ATOM 858 CG1 VAL A 55 -2.234 5.390 -3.034 1.00 0.00 C ATOM 859 CG2 VAL A 55 -2.238 7.909 -2.922 1.00 0.00 C ATOM 0 H VAL A 55 -0.362 7.169 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.726 5.872 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.817 6.677 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.553 5.368 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.651 4.531 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.146 5.350 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.557 7.837 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.150 7.956 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.659 8.810 -3.369 1.00 0.00 H new ATOM 869 N ALA A 56 -4.112 8.245 -5.672 1.00 0.00 N ATOM 870 CA ALA A 56 -4.755 9.390 -6.296 1.00 0.00 C ATOM 871 C ALA A 56 -5.847 9.925 -5.368 1.00 0.00 C ATOM 872 O ALA A 56 -6.372 9.190 -4.533 1.00 0.00 O ATOM 873 CB ALA A 56 -5.300 8.985 -7.667 1.00 0.00 C ATOM 0 H ALA A 56 -4.723 7.684 -5.078 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.037 10.194 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.782 9.843 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.480 8.641 -8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.027 8.182 -7.547 1.00 0.00 H new ATOM 879 N PRO A 57 -6.165 11.234 -5.551 1.00 0.00 N ATOM 880 CA PRO A 57 -7.186 11.877 -4.740 1.00 0.00 C ATOM 881 C PRO A 57 -8.587 11.503 -5.225 1.00 0.00 C ATOM 882 O PRO A 57 -8.942 11.769 -6.373 1.00 0.00 O ATOM 883 CB PRO A 57 -6.897 13.365 -4.849 1.00 0.00 C ATOM 884 CG PRO A 57 -6.020 13.530 -6.080 1.00 0.00 C ATOM 885 CD PRO A 57 -5.511 12.154 -6.477 1.00 0.00 C ATOM 0 HA PRO A 57 -7.160 11.556 -3.699 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.820 13.936 -4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.390 13.731 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.588 13.977 -6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.186 14.199 -5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.765 11.921 -7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.426 12.094 -6.394 1.00 0.00 H new ATOM 893 N VAL A 58 -9.347 10.890 -4.328 1.00 0.00 N ATOM 894 CA VAL A 58 -10.702 10.476 -4.651 1.00 0.00 C ATOM 895 C VAL A 58 -11.683 11.553 -4.183 1.00 0.00 C ATOM 896 O VAL A 58 -12.171 12.346 -4.988 1.00 0.00 O ATOM 897 CB VAL A 58 -10.987 9.102 -4.043 1.00 0.00 C ATOM 898 CG1 VAL A 58 -12.196 8.447 -4.716 1.00 0.00 C ATOM 899 CG2 VAL A 58 -9.757 8.198 -4.128 1.00 0.00 C ATOM 0 H VAL A 58 -9.049 10.670 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.824 10.371 -5.729 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.225 9.245 -2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.378 7.471 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.074 9.079 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.998 8.324 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.988 7.228 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.474 8.065 -5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.931 8.656 -3.584 1.00 0.00 H new ATOM 909 N ASP A 59 -11.944 11.547 -2.885 1.00 0.00 N ATOM 910 CA ASP A 59 -12.860 12.512 -2.301 1.00 0.00 C ATOM 911 C ASP A 59 -12.091 13.417 -1.334 1.00 0.00 C ATOM 912 O ASP A 59 -11.889 13.061 -0.174 1.00 0.00 O ATOM 913 CB ASP A 59 -13.968 11.813 -1.512 1.00 0.00 C ATOM 914 CG ASP A 59 -15.191 12.682 -1.206 1.00 0.00 C ATOM 915 OD1 ASP A 59 -15.334 13.214 -0.095 1.00 0.00 O ATOM 916 OD2 ASP A 59 -16.030 12.804 -2.178 1.00 0.00 O ATOM 0 H ASP A 59 -11.537 10.889 -2.220 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.304 13.089 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.295 10.937 -2.072 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.552 11.453 -0.571 1.00 0.00 H new TER 922 ASP A 59