USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= -1.28! X(o=-1.7!,f=-1.6) USER MOD Set 1.2: A 62 CYS SG : rot 117:sc= -0.38 USER MOD Set 2.1: A 30 CYS SG : rot 143:sc= 0.65! USER MOD Set 2.2: A 79 CYS SG : rot 105:sc= 0.611 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 18 GLN : amide:sc= -0.361 K(o=-0.36,f=-2.7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 33 ASN : amide:sc= -2.38! C(o=-2.4!,f=-10!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -170:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0224) USER MOD Single : A 65 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.6!) USER MOD Single : A 71 MET CE :methyl 145:sc= -3.14! (180deg=-5.12!) USER MOD Single : A 74 THR OG1 : rot 92:sc= -0.353 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -92:sc= -1.81 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 86 THR OG1 : rot 62:sc= -0.927 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 158:sc= -4.8! (180deg=-6.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.896 16.020 4.609 1.00 0.00 N ATOM 81 CA ALA A 9 -13.290 16.072 3.284 1.00 0.00 C ATOM 82 C ALA A 9 -13.846 14.974 2.383 1.00 0.00 C ATOM 83 O ALA A 9 -14.168 13.881 2.847 1.00 0.00 O ATOM 84 CB ALA A 9 -11.777 15.956 3.390 1.00 0.00 C ATOM 0 HA ALA A 9 -13.538 17.034 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.338 15.996 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.390 16.779 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.517 15.009 3.863 1.00 0.00 H new ATOM 90 N ARG A 10 -13.955 15.274 1.093 1.00 0.00 N ATOM 91 CA ARG A 10 -14.474 14.312 0.127 1.00 0.00 C ATOM 92 C ARG A 10 -13.413 13.958 -0.911 1.00 0.00 C ATOM 93 O ARG A 10 -12.675 14.825 -1.380 1.00 0.00 O ATOM 94 CB ARG A 10 -15.715 14.874 -0.568 1.00 0.00 C ATOM 95 CG ARG A 10 -15.432 16.095 -1.428 1.00 0.00 C ATOM 96 CD ARG A 10 -16.591 16.398 -2.365 1.00 0.00 C ATOM 97 NE ARG A 10 -16.218 17.353 -3.405 1.00 0.00 N ATOM 98 CZ ARG A 10 -16.944 17.571 -4.496 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.075 16.906 -4.688 1.00 0.00 N ATOM 100 NH2 ARG A 10 -16.539 18.456 -5.398 1.00 0.00 N ATOM 0 H ARG A 10 -13.691 16.174 0.693 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.747 13.405 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.156 14.096 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.456 15.136 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.246 16.957 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.526 15.929 -2.010 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.934 15.473 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.427 16.796 -1.790 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.353 17.881 -3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.390 16.225 -3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.630 17.076 -5.527 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.670 18.970 -5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.097 18.623 -6.235 1.00 0.00 H new ATOM 114 N PHE A 11 -13.342 12.679 -1.265 1.00 0.00 N ATOM 115 CA PHE A 11 -12.371 12.210 -2.246 1.00 0.00 C ATOM 116 C PHE A 11 -12.703 12.742 -3.637 1.00 0.00 C ATOM 117 O PHE A 11 -13.524 12.167 -4.353 1.00 0.00 O ATOM 118 CB PHE A 11 -12.333 10.681 -2.267 1.00 0.00 C ATOM 119 CG PHE A 11 -11.696 10.080 -1.047 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.318 10.066 -0.904 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.476 9.529 -0.043 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.730 9.513 0.217 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.893 8.975 1.081 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.518 8.968 1.212 1.00 0.00 C ATOM 0 H PHE A 11 -13.946 11.949 -0.887 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.390 12.586 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.351 10.302 -2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.788 10.351 -3.151 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.697 10.492 -1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.552 9.532 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.655 9.507 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.512 8.548 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.060 8.537 2.090 1.00 0.00 H new ATOM 134 N ILE A 12 -12.060 13.842 -4.013 1.00 0.00 N ATOM 135 CA ILE A 12 -12.287 14.451 -5.318 1.00 0.00 C ATOM 136 C ILE A 12 -11.824 13.530 -6.442 1.00 0.00 C ATOM 137 O ILE A 12 -12.391 13.535 -7.534 1.00 0.00 O ATOM 138 CB ILE A 12 -11.558 15.802 -5.443 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.056 15.618 -5.218 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.128 16.805 -4.453 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.230 16.809 -5.650 1.00 0.00 C ATOM 0 H ILE A 12 -11.378 14.330 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.361 14.617 -5.407 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.711 16.189 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.876 15.426 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.720 14.736 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.602 17.755 -4.554 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.189 16.954 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.002 16.427 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.175 16.608 -5.461 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.380 16.989 -6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.538 17.689 -5.086 1.00 0.00 H new ATOM 153 N GLU A 13 -10.792 12.739 -6.165 1.00 0.00 N ATOM 154 CA GLU A 13 -10.255 11.811 -7.153 1.00 0.00 C ATOM 155 C GLU A 13 -10.195 10.393 -6.592 1.00 0.00 C ATOM 156 O GLU A 13 -9.521 10.137 -5.594 1.00 0.00 O ATOM 157 CB GLU A 13 -8.859 12.256 -7.596 1.00 0.00 C ATOM 158 CG GLU A 13 -8.867 13.481 -8.494 1.00 0.00 C ATOM 159 CD GLU A 13 -7.550 14.232 -8.468 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.506 13.607 -8.749 1.00 0.00 O ATOM 161 OE2 GLU A 13 -7.564 15.444 -8.167 1.00 0.00 O ATOM 0 H GLU A 13 -10.312 12.722 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.921 11.813 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.257 12.468 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.375 11.433 -8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.087 13.175 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.669 14.150 -8.182 1.00 0.00 H new ATOM 168 N ASP A 14 -10.904 9.477 -7.241 1.00 0.00 N ATOM 169 CA ASP A 14 -10.931 8.084 -6.809 1.00 0.00 C ATOM 170 C ASP A 14 -9.737 7.317 -7.369 1.00 0.00 C ATOM 171 O ASP A 14 -9.467 7.359 -8.569 1.00 0.00 O ATOM 172 CB ASP A 14 -12.235 7.416 -7.251 1.00 0.00 C ATOM 173 CG ASP A 14 -12.697 7.895 -8.613 1.00 0.00 C ATOM 174 OD1 ASP A 14 -11.869 7.916 -9.547 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.888 8.249 -8.745 1.00 0.00 O ATOM 0 H ASP A 14 -11.468 9.673 -8.068 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.873 8.066 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.096 6.335 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.012 7.620 -6.514 1.00 0.00 H new ATOM 180 N VAL A 15 -9.025 6.618 -6.490 1.00 0.00 N ATOM 181 CA VAL A 15 -7.860 5.842 -6.897 1.00 0.00 C ATOM 182 C VAL A 15 -8.170 4.982 -8.116 1.00 0.00 C ATOM 183 O VAL A 15 -9.333 4.746 -8.444 1.00 0.00 O ATOM 184 CB VAL A 15 -7.364 4.935 -5.755 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.991 5.765 -4.536 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.420 3.899 -5.401 1.00 0.00 C ATOM 0 H VAL A 15 -9.235 6.574 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.077 6.556 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.471 4.410 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.643 5.107 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.198 6.465 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.864 6.320 -4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.053 3.267 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.332 4.403 -5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.633 3.283 -6.275 1.00 0.00 H new ATOM 196 N LYS A 16 -7.122 4.514 -8.786 1.00 0.00 N ATOM 197 CA LYS A 16 -7.281 3.677 -9.969 1.00 0.00 C ATOM 198 C LYS A 16 -7.000 2.214 -9.643 1.00 0.00 C ATOM 199 O LYS A 16 -6.220 1.908 -8.742 1.00 0.00 O ATOM 200 CB LYS A 16 -6.345 4.151 -11.083 1.00 0.00 C ATOM 201 CG LYS A 16 -6.408 5.648 -11.335 1.00 0.00 C ATOM 202 CD LYS A 16 -7.799 6.083 -11.763 1.00 0.00 C ATOM 203 CE LYS A 16 -7.804 7.519 -12.266 1.00 0.00 C ATOM 204 NZ LYS A 16 -7.352 7.612 -13.682 1.00 0.00 N ATOM 0 H LYS A 16 -6.153 4.701 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.313 3.763 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.322 3.877 -10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.595 3.625 -12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.121 6.183 -10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.688 5.919 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.163 5.420 -12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.486 5.989 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.809 7.931 -12.178 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.154 8.127 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.369 8.606 -13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.383 7.242 -13.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.987 7.053 -14.287 1.00 0.00 H new ATOM 218 N ASN A 17 -7.640 1.314 -10.382 1.00 0.00 N ATOM 219 CA ASN A 17 -7.457 -0.118 -10.172 1.00 0.00 C ATOM 220 C ASN A 17 -5.997 -0.441 -9.870 1.00 0.00 C ATOM 221 O ASN A 17 -5.089 0.229 -10.359 1.00 0.00 O ATOM 222 CB ASN A 17 -7.920 -0.899 -11.403 1.00 0.00 C ATOM 223 CG ASN A 17 -6.935 -0.803 -12.552 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.126 -1.705 -12.768 1.00 0.00 O ATOM 225 ND2 ASN A 17 -7.000 0.295 -13.297 1.00 0.00 N ATOM 0 H ASN A 17 -8.290 1.551 -11.132 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.061 -0.414 -9.314 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.060 -1.946 -11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.890 -0.521 -11.727 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.363 0.415 -14.085 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.687 1.018 -13.081 1.00 0.00 H new ATOM 232 N GLN A 18 -5.781 -1.474 -9.061 1.00 0.00 N ATOM 233 CA GLN A 18 -4.431 -1.886 -8.694 1.00 0.00 C ATOM 234 C GLN A 18 -4.085 -3.234 -9.317 1.00 0.00 C ATOM 235 O GLN A 18 -4.860 -4.186 -9.228 1.00 0.00 O ATOM 236 CB GLN A 18 -4.295 -1.964 -7.172 1.00 0.00 C ATOM 237 CG GLN A 18 -2.868 -1.786 -6.679 1.00 0.00 C ATOM 238 CD GLN A 18 -2.244 -0.488 -7.151 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.065 -0.444 -7.502 1.00 0.00 O ATOM 240 NE2 GLN A 18 -3.035 0.579 -7.163 1.00 0.00 N ATOM 0 H GLN A 18 -6.522 -2.040 -8.648 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.734 -1.140 -9.076 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.925 -1.198 -6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.671 -2.929 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.858 -1.814 -5.589 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.261 -2.623 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.007 0.497 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.671 1.480 -7.472 1.00 0.00 H new ATOM 249 N GLU A 19 -2.917 -3.307 -9.947 1.00 0.00 N ATOM 250 CA GLU A 19 -2.470 -4.539 -10.586 1.00 0.00 C ATOM 251 C GLU A 19 -0.958 -4.700 -10.460 1.00 0.00 C ATOM 252 O GLU A 19 -0.195 -3.819 -10.854 1.00 0.00 O ATOM 253 CB GLU A 19 -2.874 -4.550 -12.062 1.00 0.00 C ATOM 254 CG GLU A 19 -2.490 -5.828 -12.789 1.00 0.00 C ATOM 255 CD GLU A 19 -2.768 -5.759 -14.278 1.00 0.00 C ATOM 256 OE1 GLU A 19 -3.715 -5.045 -14.671 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.041 -6.419 -15.049 1.00 0.00 O ATOM 0 H GLU A 19 -2.264 -2.528 -10.029 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.950 -5.376 -10.079 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.952 -4.410 -12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.408 -3.702 -12.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.430 -6.027 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.040 -6.665 -12.359 1.00 0.00 H new ATOM 264 N ALA A 20 -0.533 -5.832 -9.907 1.00 0.00 N ATOM 265 CA ALA A 20 0.887 -6.109 -9.730 1.00 0.00 C ATOM 266 C ALA A 20 1.136 -7.603 -9.550 1.00 0.00 C ATOM 267 O ALA A 20 0.399 -8.283 -8.835 1.00 0.00 O ATOM 268 CB ALA A 20 1.432 -5.334 -8.540 1.00 0.00 C ATOM 0 H ALA A 20 -1.152 -6.571 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 20 1.410 -5.786 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.493 -5.551 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.297 -4.266 -8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.897 -5.630 -7.637 1.00 0.00 H new ATOM 274 N ARG A 21 2.177 -8.108 -10.204 1.00 0.00 N ATOM 275 CA ARG A 21 2.521 -9.522 -10.117 1.00 0.00 C ATOM 276 C ARG A 21 2.939 -9.893 -8.697 1.00 0.00 C ATOM 277 O ARG A 21 3.520 -9.080 -7.978 1.00 0.00 O ATOM 278 CB ARG A 21 3.649 -9.855 -11.095 1.00 0.00 C ATOM 279 CG ARG A 21 3.163 -10.162 -12.502 1.00 0.00 C ATOM 280 CD ARG A 21 4.103 -11.117 -13.221 1.00 0.00 C ATOM 281 NE ARG A 21 3.941 -11.057 -14.671 1.00 0.00 N ATOM 282 CZ ARG A 21 4.350 -10.035 -15.414 1.00 0.00 C ATOM 283 NH1 ARG A 21 4.941 -8.993 -14.846 1.00 0.00 N ATOM 284 NH2 ARG A 21 4.167 -10.054 -16.728 1.00 0.00 N ATOM 0 H ARG A 21 2.797 -7.559 -10.800 1.00 0.00 H new ATOM 0 HA ARG A 21 1.637 -10.102 -10.381 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.344 -9.016 -11.134 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.206 -10.712 -10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.165 -10.598 -12.456 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.080 -9.235 -13.070 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.134 -10.875 -12.961 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.918 -12.135 -12.877 1.00 0.00 H new ATOM 0 HE ARG A 21 3.489 -11.843 -15.139 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.083 -8.975 -13.836 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.254 -8.209 -15.419 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.712 -10.854 -17.168 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.481 -9.269 -17.298 1.00 0.00 H new ATOM 298 N GLU A 22 2.639 -11.126 -8.300 1.00 0.00 N ATOM 299 CA GLU A 22 2.983 -11.603 -6.966 1.00 0.00 C ATOM 300 C GLU A 22 4.379 -11.138 -6.565 1.00 0.00 C ATOM 301 O GLU A 22 5.241 -10.920 -7.415 1.00 0.00 O ATOM 302 CB GLU A 22 2.907 -13.131 -6.912 1.00 0.00 C ATOM 303 CG GLU A 22 1.540 -13.659 -6.513 1.00 0.00 C ATOM 304 CD GLU A 22 1.523 -15.165 -6.341 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.070 -15.869 -7.216 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.963 -15.641 -5.331 1.00 0.00 O ATOM 0 H GLU A 22 2.159 -11.812 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 22 2.264 -11.185 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.172 -13.534 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.650 -13.498 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.231 -13.187 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.810 -13.376 -7.271 1.00 0.00 H new ATOM 313 N GLY A 23 4.595 -10.987 -5.261 1.00 0.00 N ATOM 314 CA GLY A 23 5.887 -10.547 -4.769 1.00 0.00 C ATOM 315 C GLY A 23 6.220 -9.131 -5.196 1.00 0.00 C ATOM 316 O GLY A 23 7.389 -8.780 -5.346 1.00 0.00 O ATOM 0 H GLY A 23 3.898 -11.162 -4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.897 -10.607 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.660 -11.224 -5.132 1.00 0.00 H new ATOM 320 N ALA A 24 5.188 -8.317 -5.394 1.00 0.00 N ATOM 321 CA ALA A 24 5.376 -6.932 -5.806 1.00 0.00 C ATOM 322 C ALA A 24 4.908 -5.968 -4.721 1.00 0.00 C ATOM 323 O ALA A 24 4.529 -6.385 -3.626 1.00 0.00 O ATOM 324 CB ALA A 24 4.636 -6.664 -7.108 1.00 0.00 C ATOM 0 H ALA A 24 4.213 -8.593 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 24 6.442 -6.768 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.785 -5.626 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.020 -7.322 -7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.572 -6.852 -6.967 1.00 0.00 H new ATOM 330 N THR A 25 4.937 -4.676 -5.032 1.00 0.00 N ATOM 331 CA THR A 25 4.518 -3.652 -4.083 1.00 0.00 C ATOM 332 C THR A 25 3.463 -2.736 -4.693 1.00 0.00 C ATOM 333 O THR A 25 3.781 -1.851 -5.487 1.00 0.00 O ATOM 334 CB THR A 25 5.711 -2.800 -3.611 1.00 0.00 C ATOM 335 OG1 THR A 25 6.759 -3.649 -3.128 1.00 0.00 O ATOM 336 CG2 THR A 25 5.287 -1.834 -2.515 1.00 0.00 C ATOM 0 H THR A 25 5.246 -4.314 -5.934 1.00 0.00 H new ATOM 0 HA THR A 25 4.092 -4.172 -3.225 1.00 0.00 H new ATOM 0 HB THR A 25 6.075 -2.222 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.514 -3.100 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.147 -1.243 -2.198 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.511 -1.170 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.899 -2.396 -1.665 1.00 0.00 H new ATOM 344 N ALA A 26 2.208 -2.953 -4.315 1.00 0.00 N ATOM 345 CA ALA A 26 1.107 -2.145 -4.824 1.00 0.00 C ATOM 346 C ALA A 26 1.251 -0.689 -4.395 1.00 0.00 C ATOM 347 O ALA A 26 2.024 -0.371 -3.491 1.00 0.00 O ATOM 348 CB ALA A 26 -0.225 -2.707 -4.347 1.00 0.00 C ATOM 0 H ALA A 26 1.928 -3.681 -3.658 1.00 0.00 H new ATOM 0 HA ALA A 26 1.136 -2.181 -5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.038 -2.094 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.338 -3.730 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.253 -2.701 -3.257 1.00 0.00 H new ATOM 354 N VAL A 27 0.504 0.194 -5.051 1.00 0.00 N ATOM 355 CA VAL A 27 0.549 1.617 -4.738 1.00 0.00 C ATOM 356 C VAL A 27 -0.799 2.280 -4.996 1.00 0.00 C ATOM 357 O VAL A 27 -1.208 2.452 -6.145 1.00 0.00 O ATOM 358 CB VAL A 27 1.631 2.339 -5.563 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.706 3.808 -5.176 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.981 1.662 -5.381 1.00 0.00 C ATOM 0 H VAL A 27 -0.140 -0.052 -5.803 1.00 0.00 H new ATOM 0 HA VAL A 27 0.794 1.700 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 27 1.360 2.279 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.476 4.302 -5.769 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.743 4.283 -5.363 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.953 3.893 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.733 2.186 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.262 1.689 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.916 0.626 -5.713 1.00 0.00 H new ATOM 370 N LEU A 28 -1.486 2.650 -3.921 1.00 0.00 N ATOM 371 CA LEU A 28 -2.789 3.295 -4.031 1.00 0.00 C ATOM 372 C LEU A 28 -2.697 4.774 -3.670 1.00 0.00 C ATOM 373 O LEU A 28 -2.452 5.127 -2.516 1.00 0.00 O ATOM 374 CB LEU A 28 -3.803 2.599 -3.121 1.00 0.00 C ATOM 375 CG LEU A 28 -4.293 1.228 -3.588 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.651 0.354 -2.396 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.488 1.377 -4.519 1.00 0.00 C ATOM 0 H LEU A 28 -1.162 2.514 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.121 3.212 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.357 2.486 -2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.668 3.253 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.486 0.744 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.998 -0.618 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.771 0.219 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.441 0.833 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.823 0.391 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.298 1.882 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.199 1.965 -5.390 1.00 0.00 H new ATOM 389 N GLN A 29 -2.897 5.634 -4.663 1.00 0.00 N ATOM 390 CA GLN A 29 -2.837 7.075 -4.449 1.00 0.00 C ATOM 391 C GLN A 29 -4.192 7.722 -4.719 1.00 0.00 C ATOM 392 O GLN A 29 -4.946 7.269 -5.580 1.00 0.00 O ATOM 393 CB GLN A 29 -1.771 7.702 -5.350 1.00 0.00 C ATOM 394 CG GLN A 29 -0.364 7.203 -5.065 1.00 0.00 C ATOM 395 CD GLN A 29 0.656 7.741 -6.048 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.309 8.442 -6.999 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.924 7.417 -5.824 1.00 0.00 N ATOM 0 H GLN A 29 -3.102 5.358 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.571 7.251 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.018 7.493 -6.391 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.795 8.785 -5.228 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.077 7.494 -4.054 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.355 6.114 -5.098 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.168 6.834 -5.024 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.655 7.752 -6.452 1.00 0.00 H new ATOM 406 N CYS A 30 -4.494 8.782 -3.977 1.00 0.00 N ATOM 407 CA CYS A 30 -5.759 9.490 -4.135 1.00 0.00 C ATOM 408 C CYS A 30 -5.591 10.976 -3.834 1.00 0.00 C ATOM 409 O CYS A 30 -4.496 11.433 -3.509 1.00 0.00 O ATOM 410 CB CYS A 30 -6.823 8.889 -3.215 1.00 0.00 C ATOM 411 SG CYS A 30 -6.849 9.600 -1.553 1.00 0.00 S ATOM 0 H CYS A 30 -3.880 9.170 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.081 9.381 -5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.803 9.026 -3.672 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.655 7.815 -3.136 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.078 9.684 -1.136 1.00 0.00 H new ATOM 417 N GLU A 31 -6.683 11.725 -3.948 1.00 0.00 N ATOM 418 CA GLU A 31 -6.655 13.160 -3.691 1.00 0.00 C ATOM 419 C GLU A 31 -7.900 13.600 -2.925 1.00 0.00 C ATOM 420 O GLU A 31 -8.977 13.025 -3.085 1.00 0.00 O ATOM 421 CB GLU A 31 -6.553 13.934 -5.007 1.00 0.00 C ATOM 422 CG GLU A 31 -6.122 15.380 -4.830 1.00 0.00 C ATOM 423 CD GLU A 31 -5.691 16.024 -6.133 1.00 0.00 C ATOM 424 OE1 GLU A 31 -4.884 15.410 -6.861 1.00 0.00 O ATOM 425 OE2 GLU A 31 -6.162 17.144 -6.425 1.00 0.00 O ATOM 0 H GLU A 31 -7.598 11.362 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.778 13.377 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.842 13.429 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.520 13.911 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.946 15.951 -4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.299 15.425 -4.117 1.00 0.00 H new ATOM 432 N LEU A 32 -7.743 14.622 -2.091 1.00 0.00 N ATOM 433 CA LEU A 32 -8.853 15.140 -1.298 1.00 0.00 C ATOM 434 C LEU A 32 -9.074 16.624 -1.575 1.00 0.00 C ATOM 435 O LEU A 32 -8.141 17.345 -1.926 1.00 0.00 O ATOM 436 CB LEU A 32 -8.586 14.922 0.192 1.00 0.00 C ATOM 437 CG LEU A 32 -8.480 13.467 0.649 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.565 13.352 1.858 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.859 12.906 0.967 1.00 0.00 C ATOM 0 H LEU A 32 -6.858 15.108 -1.946 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.755 14.598 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.659 15.432 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.384 15.402 0.758 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.050 12.882 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.502 12.309 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.570 13.714 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.966 13.951 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.764 11.869 1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.317 13.494 1.763 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.485 12.952 0.076 1.00 0.00 H new ATOM 451 N ASN A 33 -10.314 17.072 -1.413 1.00 0.00 N ATOM 452 CA ASN A 33 -10.658 18.471 -1.644 1.00 0.00 C ATOM 453 C ASN A 33 -10.000 19.371 -0.602 1.00 0.00 C ATOM 454 O ASN A 33 -9.828 20.570 -0.824 1.00 0.00 O ATOM 455 CB ASN A 33 -12.176 18.657 -1.610 1.00 0.00 C ATOM 456 CG ASN A 33 -12.772 18.302 -0.261 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.129 17.650 0.562 1.00 0.00 O ATOM 458 ND2 ASN A 33 -14.007 18.730 -0.029 1.00 0.00 N ATOM 0 H ASN A 33 -11.098 16.487 -1.123 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.287 18.753 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.418 19.692 -1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.633 18.036 -2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.460 18.521 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.503 19.268 -0.740 1.00 0.00 H new ATOM 465 N SER A 34 -9.635 18.785 0.533 1.00 0.00 N ATOM 466 CA SER A 34 -8.999 19.535 1.610 1.00 0.00 C ATOM 467 C SER A 34 -8.113 18.625 2.456 1.00 0.00 C ATOM 468 O SER A 34 -8.388 17.434 2.603 1.00 0.00 O ATOM 469 CB SER A 34 -10.058 20.198 2.493 1.00 0.00 C ATOM 470 OG SER A 34 -9.478 21.179 3.336 1.00 0.00 O ATOM 0 H SER A 34 -9.769 17.793 0.731 1.00 0.00 H new ATOM 0 HA SER A 34 -8.374 20.308 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.822 20.658 1.867 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.556 19.441 3.099 1.00 0.00 H new ATOM 0 HG SER A 34 -10.176 21.589 3.889 1.00 0.00 H new ATOM 476 N ALA A 35 -7.049 19.195 3.010 1.00 0.00 N ATOM 477 CA ALA A 35 -6.123 18.437 3.843 1.00 0.00 C ATOM 478 C ALA A 35 -6.868 17.652 4.918 1.00 0.00 C ATOM 479 O ALA A 35 -7.468 18.234 5.821 1.00 0.00 O ATOM 480 CB ALA A 35 -5.102 19.369 4.480 1.00 0.00 C ATOM 0 H ALA A 35 -6.806 20.179 2.897 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.600 17.724 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.417 18.790 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.540 19.881 3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.617 20.104 5.099 1.00 0.00 H new ATOM 486 N ALA A 36 -6.826 16.328 4.812 1.00 0.00 N ATOM 487 CA ALA A 36 -7.496 15.463 5.776 1.00 0.00 C ATOM 488 C ALA A 36 -6.891 14.064 5.771 1.00 0.00 C ATOM 489 O ALA A 36 -6.380 13.586 4.758 1.00 0.00 O ATOM 490 CB ALA A 36 -8.987 15.397 5.478 1.00 0.00 C ATOM 0 H ALA A 36 -6.335 15.831 4.069 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.354 15.888 6.770 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.475 14.748 6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.415 16.398 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.140 14.998 4.475 1.00 0.00 H new ATOM 496 N PRO A 37 -6.948 13.390 6.929 1.00 0.00 N ATOM 497 CA PRO A 37 -6.410 12.035 7.084 1.00 0.00 C ATOM 498 C PRO A 37 -7.229 10.996 6.326 1.00 0.00 C ATOM 499 O PRO A 37 -8.254 11.317 5.725 1.00 0.00 O ATOM 500 CB PRO A 37 -6.497 11.789 8.592 1.00 0.00 C ATOM 501 CG PRO A 37 -7.595 12.681 9.059 1.00 0.00 C ATOM 502 CD PRO A 37 -7.542 13.898 8.177 1.00 0.00 C ATOM 0 HA PRO A 37 -5.400 11.949 6.682 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.716 10.744 8.811 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.556 12.028 9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.562 12.184 8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.460 12.952 10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.535 14.316 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.935 14.688 8.619 1.00 0.00 H new ATOM 510 N VAL A 38 -6.770 9.749 6.359 1.00 0.00 N ATOM 511 CA VAL A 38 -7.461 8.661 5.676 1.00 0.00 C ATOM 512 C VAL A 38 -7.237 7.333 6.391 1.00 0.00 C ATOM 513 O VAL A 38 -6.356 7.217 7.242 1.00 0.00 O ATOM 514 CB VAL A 38 -6.995 8.530 4.214 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.378 9.768 3.418 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.493 8.292 4.154 1.00 0.00 C ATOM 0 H VAL A 38 -5.922 9.467 6.851 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.524 8.903 5.690 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.495 7.671 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.040 9.657 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.461 9.890 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.907 10.646 3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.180 8.202 3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.973 9.130 4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.249 7.373 4.687 1.00 0.00 H new ATOM 526 N GLU A 39 -8.040 6.335 6.037 1.00 0.00 N ATOM 527 CA GLU A 39 -7.929 5.014 6.646 1.00 0.00 C ATOM 528 C GLU A 39 -7.989 3.919 5.584 1.00 0.00 C ATOM 529 O GLU A 39 -9.061 3.402 5.271 1.00 0.00 O ATOM 530 CB GLU A 39 -9.045 4.806 7.672 1.00 0.00 C ATOM 531 CG GLU A 39 -9.106 3.392 8.226 1.00 0.00 C ATOM 532 CD GLU A 39 -10.164 3.232 9.301 1.00 0.00 C ATOM 533 OE1 GLU A 39 -11.326 2.939 8.950 1.00 0.00 O ATOM 534 OE2 GLU A 39 -9.829 3.399 10.492 1.00 0.00 O ATOM 0 H GLU A 39 -8.774 6.415 5.333 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.965 4.954 7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.904 5.505 8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.002 5.048 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.311 2.696 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.132 3.124 8.637 1.00 0.00 H new ATOM 541 N TRP A 40 -6.830 3.573 5.035 1.00 0.00 N ATOM 542 CA TRP A 40 -6.750 2.541 4.008 1.00 0.00 C ATOM 543 C TRP A 40 -7.325 1.223 4.515 1.00 0.00 C ATOM 544 O TRP A 40 -6.804 0.629 5.459 1.00 0.00 O ATOM 545 CB TRP A 40 -5.298 2.342 3.569 1.00 0.00 C ATOM 546 CG TRP A 40 -4.725 3.530 2.857 1.00 0.00 C ATOM 547 CD1 TRP A 40 -3.894 4.477 3.382 1.00 0.00 C ATOM 548 CD2 TRP A 40 -4.943 3.896 1.490 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.582 5.412 2.424 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.212 5.077 1.254 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.681 3.341 0.442 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.201 5.711 0.015 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.670 3.972 -0.788 1.00 0.00 C ATOM 554 CH2 TRP A 40 -4.934 5.146 -0.993 1.00 0.00 C ATOM 0 H TRP A 40 -5.934 3.992 5.284 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.340 2.868 3.152 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.688 2.123 4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.240 1.472 2.915 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.534 4.490 4.400 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.979 6.223 2.562 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.250 2.435 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.634 6.616 -0.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.239 3.553 -1.605 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.945 5.615 -1.966 1.00 0.00 H new ATOM 565 N ARG A 41 -8.403 0.770 3.882 1.00 0.00 N ATOM 566 CA ARG A 41 -9.050 -0.477 4.271 1.00 0.00 C ATOM 567 C ARG A 41 -8.700 -1.597 3.295 1.00 0.00 C ATOM 568 O ARG A 41 -7.924 -1.401 2.360 1.00 0.00 O ATOM 569 CB ARG A 41 -10.567 -0.293 4.330 1.00 0.00 C ATOM 570 CG ARG A 41 -11.010 0.813 5.274 1.00 0.00 C ATOM 571 CD ARG A 41 -12.511 1.043 5.197 1.00 0.00 C ATOM 572 NE ARG A 41 -13.036 1.644 6.420 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.354 0.945 7.504 1.00 0.00 C ATOM 574 NH1 ARG A 41 -13.201 -0.372 7.517 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.826 1.564 8.579 1.00 0.00 N ATOM 0 H ARG A 41 -8.846 1.248 3.098 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.686 -0.753 5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.937 -0.074 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.026 -1.231 4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.732 0.554 6.296 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.486 1.736 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.735 1.691 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.014 0.094 5.015 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.166 2.655 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.838 -0.851 6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.446 -0.906 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.945 2.577 8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.070 1.027 9.411 1.00 0.00 H new ATOM 589 N LYS A 42 -9.278 -2.772 3.520 1.00 0.00 N ATOM 590 CA LYS A 42 -9.029 -3.925 2.662 1.00 0.00 C ATOM 591 C LYS A 42 -10.021 -5.046 2.956 1.00 0.00 C ATOM 592 O LYS A 42 -10.249 -5.398 4.112 1.00 0.00 O ATOM 593 CB LYS A 42 -7.598 -4.431 2.855 1.00 0.00 C ATOM 594 CG LYS A 42 -7.204 -5.528 1.882 1.00 0.00 C ATOM 595 CD LYS A 42 -7.568 -6.904 2.415 1.00 0.00 C ATOM 596 CE LYS A 42 -7.336 -7.986 1.371 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.531 -9.351 1.934 1.00 0.00 N ATOM 0 H LYS A 42 -9.923 -2.951 4.290 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.159 -3.611 1.626 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.908 -3.594 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.488 -4.803 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.702 -5.364 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.131 -5.481 1.695 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.974 -7.120 3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.614 -6.911 2.722 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.020 -7.837 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.324 -7.898 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.364 -10.060 1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.861 -9.503 2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.504 -9.444 2.289 1.00 0.00 H new ATOM 611 N GLY A 43 -10.606 -5.605 1.901 1.00 0.00 N ATOM 612 CA GLY A 43 -11.564 -6.681 2.067 1.00 0.00 C ATOM 613 C GLY A 43 -12.378 -6.542 3.339 1.00 0.00 C ATOM 614 O GLY A 43 -12.582 -7.515 4.064 1.00 0.00 O ATOM 0 H GLY A 43 -10.433 -5.331 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.236 -6.700 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.036 -7.635 2.080 1.00 0.00 H new ATOM 618 N SER A 44 -12.843 -5.327 3.611 1.00 0.00 N ATOM 619 CA SER A 44 -13.634 -5.061 4.807 1.00 0.00 C ATOM 620 C SER A 44 -12.763 -5.115 6.058 1.00 0.00 C ATOM 621 O SER A 44 -13.101 -5.784 7.034 1.00 0.00 O ATOM 622 CB SER A 44 -14.776 -6.073 4.923 1.00 0.00 C ATOM 623 OG SER A 44 -15.438 -6.240 3.681 1.00 0.00 O ATOM 0 H SER A 44 -12.686 -4.511 3.019 1.00 0.00 H new ATOM 0 HA SER A 44 -14.053 -4.058 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.383 -7.032 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.489 -5.737 5.676 1.00 0.00 H new ATOM 0 HG SER A 44 -16.162 -6.893 3.781 1.00 0.00 H new ATOM 629 N GLU A 45 -11.639 -4.405 6.020 1.00 0.00 N ATOM 630 CA GLU A 45 -10.719 -4.372 7.150 1.00 0.00 C ATOM 631 C GLU A 45 -9.887 -3.093 7.137 1.00 0.00 C ATOM 632 O GLU A 45 -9.527 -2.583 6.076 1.00 0.00 O ATOM 633 CB GLU A 45 -9.797 -5.593 7.121 1.00 0.00 C ATOM 634 CG GLU A 45 -8.472 -5.339 6.422 1.00 0.00 C ATOM 635 CD GLU A 45 -7.721 -6.619 6.110 1.00 0.00 C ATOM 636 OE1 GLU A 45 -8.297 -7.495 5.432 1.00 0.00 O ATOM 637 OE2 GLU A 45 -6.557 -6.744 6.545 1.00 0.00 O ATOM 0 H GLU A 45 -11.345 -3.846 5.219 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.309 -4.392 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.603 -5.915 8.144 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.311 -6.414 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.653 -4.794 5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.850 -4.702 7.051 1.00 0.00 H new ATOM 644 N THR A 46 -9.585 -2.578 8.326 1.00 0.00 N ATOM 645 CA THR A 46 -8.798 -1.358 8.453 1.00 0.00 C ATOM 646 C THR A 46 -7.306 -1.669 8.496 1.00 0.00 C ATOM 647 O THR A 46 -6.863 -2.529 9.258 1.00 0.00 O ATOM 648 CB THR A 46 -9.184 -0.570 9.718 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.558 -0.171 9.647 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.302 0.659 9.881 1.00 0.00 C ATOM 0 H THR A 46 -9.874 -2.988 9.214 1.00 0.00 H new ATOM 0 HA THR A 46 -9.014 -0.749 7.575 1.00 0.00 H new ATOM 0 HB THR A 46 -9.039 -1.219 10.581 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.796 0.328 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.594 1.199 10.782 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.260 0.350 9.965 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.420 1.309 9.014 1.00 0.00 H new ATOM 658 N LEU A 47 -6.536 -0.963 7.676 1.00 0.00 N ATOM 659 CA LEU A 47 -5.092 -1.162 7.621 1.00 0.00 C ATOM 660 C LEU A 47 -4.359 -0.042 8.353 1.00 0.00 C ATOM 661 O LEU A 47 -4.938 1.004 8.645 1.00 0.00 O ATOM 662 CB LEU A 47 -4.621 -1.231 6.168 1.00 0.00 C ATOM 663 CG LEU A 47 -5.481 -2.070 5.222 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.136 -1.764 3.773 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.302 -3.553 5.514 1.00 0.00 C ATOM 0 H LEU A 47 -6.887 -0.247 7.040 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.862 -2.106 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.569 -0.216 5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.607 -1.630 6.155 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.527 -1.811 5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.758 -2.371 3.115 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.316 -0.708 3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.086 -1.994 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.921 -4.135 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.256 -3.827 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.601 -3.760 6.542 1.00 0.00 H new ATOM 677 N ARG A 48 -3.082 -0.268 8.644 1.00 0.00 N ATOM 678 CA ARG A 48 -2.270 0.722 9.340 1.00 0.00 C ATOM 679 C ARG A 48 -0.827 0.687 8.845 1.00 0.00 C ATOM 680 O ARG A 48 -0.294 -0.377 8.531 1.00 0.00 O ATOM 681 CB ARG A 48 -2.309 0.475 10.850 1.00 0.00 C ATOM 682 CG ARG A 48 -3.671 0.731 11.474 1.00 0.00 C ATOM 683 CD ARG A 48 -3.985 2.217 11.537 1.00 0.00 C ATOM 684 NE ARG A 48 -3.320 2.870 12.662 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.064 4.172 12.709 1.00 0.00 C ATOM 686 NH1 ARG A 48 -3.415 4.957 11.700 1.00 0.00 N ATOM 687 NH2 ARG A 48 -2.455 4.692 13.767 1.00 0.00 N ATOM 0 H ARG A 48 -2.588 -1.128 8.408 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.684 1.708 9.129 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.016 -0.556 11.049 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.571 1.115 11.334 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.440 0.220 10.894 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.697 0.310 12.479 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.675 2.693 10.607 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.063 2.356 11.622 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.037 2.294 13.455 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.883 4.561 10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.217 5.957 11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.183 4.091 14.545 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.259 5.692 13.802 1.00 0.00 H new ATOM 701 N ASP A 49 -0.202 1.857 8.779 1.00 0.00 N ATOM 702 CA ASP A 49 1.179 1.961 8.323 1.00 0.00 C ATOM 703 C ASP A 49 2.113 1.170 9.233 1.00 0.00 C ATOM 704 O ASP A 49 2.067 1.305 10.455 1.00 0.00 O ATOM 705 CB ASP A 49 1.615 3.427 8.276 1.00 0.00 C ATOM 706 CG ASP A 49 3.099 3.598 8.531 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.510 3.536 9.709 1.00 0.00 O ATOM 708 OD2 ASP A 49 3.850 3.794 7.554 1.00 0.00 O ATOM 0 H ASP A 49 -0.630 2.747 9.035 1.00 0.00 H new ATOM 0 HA ASP A 49 1.236 1.540 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.366 3.846 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.054 3.994 9.019 1.00 0.00 H new ATOM 713 N GLY A 50 2.960 0.342 8.629 1.00 0.00 N ATOM 714 CA GLY A 50 3.891 -0.460 9.400 1.00 0.00 C ATOM 715 C GLY A 50 5.064 -0.945 8.570 1.00 0.00 C ATOM 716 O GLY A 50 5.766 -0.147 7.949 1.00 0.00 O ATOM 0 H GLY A 50 3.018 0.213 7.619 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.262 0.127 10.240 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.366 -1.319 9.818 1.00 0.00 H new ATOM 720 N ASP A 51 5.278 -2.256 8.561 1.00 0.00 N ATOM 721 CA ASP A 51 6.374 -2.847 7.802 1.00 0.00 C ATOM 722 C ASP A 51 5.931 -3.187 6.382 1.00 0.00 C ATOM 723 O ASP A 51 6.588 -2.815 5.410 1.00 0.00 O ATOM 724 CB ASP A 51 6.889 -4.104 8.503 1.00 0.00 C ATOM 725 CG ASP A 51 8.358 -4.360 8.228 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.069 -3.401 7.864 1.00 0.00 O ATOM 727 OD2 ASP A 51 8.796 -5.521 8.375 1.00 0.00 O ATOM 0 H ASP A 51 4.707 -2.930 9.071 1.00 0.00 H new ATOM 0 HA ASP A 51 7.180 -2.115 7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.735 -4.006 9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.306 -4.964 8.175 1.00 0.00 H new ATOM 732 N ARG A 52 4.813 -3.897 6.271 1.00 0.00 N ATOM 733 CA ARG A 52 4.283 -4.290 4.971 1.00 0.00 C ATOM 734 C ARG A 52 3.508 -3.142 4.330 1.00 0.00 C ATOM 735 O ARG A 52 3.604 -2.912 3.124 1.00 0.00 O ATOM 736 CB ARG A 52 3.377 -5.514 5.114 1.00 0.00 C ATOM 737 CG ARG A 52 4.114 -6.836 4.981 1.00 0.00 C ATOM 738 CD ARG A 52 3.182 -7.952 4.535 1.00 0.00 C ATOM 739 NE ARG A 52 2.567 -8.637 5.669 1.00 0.00 N ATOM 740 CZ ARG A 52 1.610 -9.550 5.545 1.00 0.00 C ATOM 741 NH1 ARG A 52 1.162 -9.887 4.343 1.00 0.00 N ATOM 742 NH2 ARG A 52 1.100 -10.130 6.624 1.00 0.00 N ATOM 0 H ARG A 52 4.257 -4.212 7.066 1.00 0.00 H new ATOM 0 HA ARG A 52 5.124 -4.543 4.326 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.884 -5.479 6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.594 -5.466 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.926 -6.730 4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.567 -7.099 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.403 -7.539 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.739 -8.672 3.935 1.00 0.00 H new ATOM 0 HE ARG A 52 2.890 -8.401 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.552 -9.445 3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.427 -10.588 4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.443 -9.875 7.550 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.365 -10.831 6.527 1.00 0.00 H new ATOM 756 N TYR A 53 2.741 -2.426 5.145 1.00 0.00 N ATOM 757 CA TYR A 53 1.948 -1.304 4.657 1.00 0.00 C ATOM 758 C TYR A 53 2.685 0.015 4.863 1.00 0.00 C ATOM 759 O TYR A 53 3.326 0.227 5.893 1.00 0.00 O ATOM 760 CB TYR A 53 0.595 -1.261 5.370 1.00 0.00 C ATOM 761 CG TYR A 53 -0.208 -2.534 5.222 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.960 -2.775 4.079 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.215 -3.495 6.226 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.696 -3.936 3.940 1.00 0.00 C ATOM 765 CE2 TYR A 53 -0.947 -4.659 6.094 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.686 -4.875 4.950 1.00 0.00 C ATOM 767 OH TYR A 53 -2.417 -6.033 4.815 1.00 0.00 O ATOM 0 H TYR A 53 2.652 -2.602 6.146 1.00 0.00 H new ATOM 0 HA TYR A 53 1.785 -1.445 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.758 -1.065 6.430 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.013 -0.427 4.978 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.969 -2.042 3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.361 -3.329 7.124 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.276 -4.107 3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.941 -5.396 6.883 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.301 -6.588 5.614 1.00 0.00 H new ATOM 777 N SER A 54 2.589 0.900 3.876 1.00 0.00 N ATOM 778 CA SER A 54 3.250 2.198 3.945 1.00 0.00 C ATOM 779 C SER A 54 2.308 3.311 3.495 1.00 0.00 C ATOM 780 O SER A 54 2.117 3.533 2.299 1.00 0.00 O ATOM 781 CB SER A 54 4.510 2.200 3.079 1.00 0.00 C ATOM 782 OG SER A 54 5.074 0.902 2.995 1.00 0.00 O ATOM 0 H SER A 54 2.060 0.742 3.019 1.00 0.00 H new ATOM 0 HA SER A 54 3.531 2.380 4.982 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.267 2.560 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.241 2.891 3.497 1.00 0.00 H new ATOM 0 HG SER A 54 5.957 0.956 2.572 1.00 0.00 H new ATOM 788 N LEU A 55 1.722 4.008 4.462 1.00 0.00 N ATOM 789 CA LEU A 55 0.799 5.099 4.168 1.00 0.00 C ATOM 790 C LEU A 55 1.513 6.446 4.225 1.00 0.00 C ATOM 791 O LEU A 55 2.063 6.825 5.259 1.00 0.00 O ATOM 792 CB LEU A 55 -0.369 5.086 5.155 1.00 0.00 C ATOM 793 CG LEU A 55 -0.834 3.708 5.626 1.00 0.00 C ATOM 794 CD1 LEU A 55 -1.851 3.843 6.749 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.420 2.917 4.465 1.00 0.00 C ATOM 0 H LEU A 55 1.869 3.837 5.457 1.00 0.00 H new ATOM 0 HA LEU A 55 0.414 4.954 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.085 5.670 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.215 5.594 4.693 1.00 0.00 H new ATOM 0 HG LEU A 55 0.030 3.165 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.171 2.852 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.398 4.369 7.589 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.714 4.405 6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.746 1.939 4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.273 3.456 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.662 2.789 3.692 1.00 0.00 H new ATOM 807 N ARG A 56 1.498 7.166 3.108 1.00 0.00 N ATOM 808 CA ARG A 56 2.143 8.471 3.031 1.00 0.00 C ATOM 809 C ARG A 56 1.188 9.516 2.461 1.00 0.00 C ATOM 810 O ARG A 56 0.577 9.306 1.413 1.00 0.00 O ATOM 811 CB ARG A 56 3.403 8.391 2.167 1.00 0.00 C ATOM 812 CG ARG A 56 4.520 7.574 2.795 1.00 0.00 C ATOM 813 CD ARG A 56 5.847 7.810 2.090 1.00 0.00 C ATOM 814 NE ARG A 56 6.536 8.991 2.601 1.00 0.00 N ATOM 815 CZ ARG A 56 7.847 9.177 2.504 1.00 0.00 C ATOM 816 NH1 ARG A 56 8.608 8.263 1.916 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.401 10.279 2.994 1.00 0.00 N ATOM 0 H ARG A 56 1.046 6.867 2.244 1.00 0.00 H new ATOM 0 HA ARG A 56 2.422 8.771 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.144 7.956 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.766 9.400 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.615 7.835 3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.267 6.515 2.751 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.485 6.935 2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.673 7.926 1.020 1.00 0.00 H new ATOM 0 HE ARG A 56 5.979 9.713 3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.186 7.415 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.615 8.408 1.843 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.819 10.985 3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.408 10.420 2.919 1.00 0.00 H new ATOM 831 N GLN A 57 1.066 10.641 3.158 1.00 0.00 N ATOM 832 CA GLN A 57 0.185 11.718 2.722 1.00 0.00 C ATOM 833 C GLN A 57 0.963 13.016 2.533 1.00 0.00 C ATOM 834 O GLN A 57 1.900 13.302 3.278 1.00 0.00 O ATOM 835 CB GLN A 57 -0.941 11.927 3.736 1.00 0.00 C ATOM 836 CG GLN A 57 -1.871 13.078 3.385 1.00 0.00 C ATOM 837 CD GLN A 57 -2.747 13.496 4.549 1.00 0.00 C ATOM 838 OE1 GLN A 57 -2.304 14.209 5.449 1.00 0.00 O ATOM 839 NE2 GLN A 57 -3.999 13.053 4.536 1.00 0.00 N ATOM 0 H GLN A 57 1.566 10.830 4.027 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.248 11.433 1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.525 11.010 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.505 12.110 4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.278 13.932 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.503 12.787 2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.324 12.464 3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.636 13.302 5.293 1.00 0.00 H new ATOM 848 N ASP A 58 0.569 13.796 1.533 1.00 0.00 N ATOM 849 CA ASP A 58 1.230 15.064 1.247 1.00 0.00 C ATOM 850 C ASP A 58 0.206 16.181 1.064 1.00 0.00 C ATOM 851 O ASP A 58 -0.061 16.615 -0.056 1.00 0.00 O ATOM 852 CB ASP A 58 2.097 14.940 -0.006 1.00 0.00 C ATOM 853 CG ASP A 58 3.301 15.861 0.029 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.756 16.201 1.142 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.789 16.241 -1.055 1.00 0.00 O ATOM 0 H ASP A 58 -0.205 13.573 0.907 1.00 0.00 H new ATOM 0 HA ASP A 58 1.866 15.314 2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.435 13.909 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.494 15.168 -0.885 1.00 0.00 H new ATOM 860 N GLY A 59 -0.365 16.641 2.173 1.00 0.00 N ATOM 861 CA GLY A 59 -1.353 17.702 2.113 1.00 0.00 C ATOM 862 C GLY A 59 -2.747 17.180 1.829 1.00 0.00 C ATOM 863 O GLY A 59 -3.500 16.862 2.750 1.00 0.00 O ATOM 0 H GLY A 59 -0.161 16.298 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.357 18.244 3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.070 18.414 1.338 1.00 0.00 H new ATOM 867 N THR A 60 -3.096 17.092 0.549 1.00 0.00 N ATOM 868 CA THR A 60 -4.410 16.608 0.145 1.00 0.00 C ATOM 869 C THR A 60 -4.312 15.236 -0.512 1.00 0.00 C ATOM 870 O THR A 60 -5.284 14.481 -0.545 1.00 0.00 O ATOM 871 CB THR A 60 -5.093 17.585 -0.830 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.177 17.969 -1.861 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.589 18.823 -0.098 1.00 0.00 C ATOM 0 H THR A 60 -2.486 17.350 -0.226 1.00 0.00 H new ATOM 0 HA THR A 60 -5.011 16.532 1.051 1.00 0.00 H new ATOM 0 HB THR A 60 -5.949 17.079 -1.276 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.620 18.589 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.068 19.498 -0.808 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.309 18.530 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.746 19.329 0.373 1.00 0.00 H new ATOM 881 N LYS A 61 -3.133 14.918 -1.034 1.00 0.00 N ATOM 882 CA LYS A 61 -2.906 13.635 -1.690 1.00 0.00 C ATOM 883 C LYS A 61 -2.507 12.569 -0.675 1.00 0.00 C ATOM 884 O LYS A 61 -1.927 12.876 0.367 1.00 0.00 O ATOM 885 CB LYS A 61 -1.819 13.770 -2.758 1.00 0.00 C ATOM 886 CG LYS A 61 -2.293 14.464 -4.024 1.00 0.00 C ATOM 887 CD LYS A 61 -1.233 14.423 -5.112 1.00 0.00 C ATOM 888 CE LYS A 61 -1.260 13.103 -5.866 1.00 0.00 C ATOM 889 NZ LYS A 61 -2.393 13.037 -6.830 1.00 0.00 N ATOM 0 H LYS A 61 -2.318 15.532 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.837 13.328 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.979 14.326 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.448 12.778 -3.015 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.204 13.985 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.545 15.500 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.394 15.245 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.248 14.570 -4.668 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.320 12.972 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.340 12.280 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.290 12.193 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.291 12.983 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.391 13.888 -7.427 1.00 0.00 H new ATOM 903 N CYS A 62 -2.821 11.316 -0.987 1.00 0.00 N ATOM 904 CA CYS A 62 -2.494 10.203 -0.102 1.00 0.00 C ATOM 905 C CYS A 62 -1.768 9.099 -0.863 1.00 0.00 C ATOM 906 O CYS A 62 -1.650 9.150 -2.086 1.00 0.00 O ATOM 907 CB CYS A 62 -3.764 9.646 0.542 1.00 0.00 C ATOM 908 SG CYS A 62 -4.689 10.856 1.517 1.00 0.00 S ATOM 0 H CYS A 62 -3.301 11.046 -1.845 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.833 10.575 0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.413 9.253 -0.241 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.495 8.807 1.184 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.860 11.040 0.983 1.00 0.00 H new ATOM 914 N GLU A 63 -1.282 8.102 -0.129 1.00 0.00 N ATOM 915 CA GLU A 63 -0.566 6.986 -0.735 1.00 0.00 C ATOM 916 C GLU A 63 -0.531 5.786 0.206 1.00 0.00 C ATOM 917 O GLU A 63 -0.490 5.941 1.427 1.00 0.00 O ATOM 918 CB GLU A 63 0.861 7.405 -1.098 1.00 0.00 C ATOM 919 CG GLU A 63 1.705 6.270 -1.654 1.00 0.00 C ATOM 920 CD GLU A 63 3.163 6.653 -1.816 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.497 7.301 -2.830 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.970 6.304 -0.929 1.00 0.00 O ATOM 0 H GLU A 63 -1.371 8.045 0.885 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.096 6.698 -1.643 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.819 8.209 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.349 7.809 -0.211 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.631 5.408 -0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.304 5.964 -2.620 1.00 0.00 H new ATOM 929 N LEU A 64 -0.550 4.589 -0.370 1.00 0.00 N ATOM 930 CA LEU A 64 -0.521 3.361 0.416 1.00 0.00 C ATOM 931 C LEU A 64 0.157 2.235 -0.358 1.00 0.00 C ATOM 932 O LEU A 64 -0.283 1.864 -1.445 1.00 0.00 O ATOM 933 CB LEU A 64 -1.942 2.946 0.802 1.00 0.00 C ATOM 934 CG LEU A 64 -2.101 1.528 1.353 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.349 0.541 0.223 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.872 1.127 2.155 1.00 0.00 C ATOM 0 H LEU A 64 -0.585 4.443 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 64 0.054 3.552 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.314 3.648 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.580 3.047 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.965 1.511 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.460 -0.462 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.259 0.818 -0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.506 0.559 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.003 0.115 2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.008 1.160 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.740 1.817 2.988 1.00 0.00 H new ATOM 948 N GLN A 65 1.229 1.694 0.212 1.00 0.00 N ATOM 949 CA GLN A 65 1.967 0.609 -0.424 1.00 0.00 C ATOM 950 C GLN A 65 1.733 -0.709 0.306 1.00 0.00 C ATOM 951 O GLN A 65 1.576 -0.734 1.527 1.00 0.00 O ATOM 952 CB GLN A 65 3.463 0.930 -0.454 1.00 0.00 C ATOM 953 CG GLN A 65 3.903 1.659 -1.713 1.00 0.00 C ATOM 954 CD GLN A 65 5.388 1.961 -1.724 1.00 0.00 C ATOM 955 OE1 GLN A 65 6.184 1.202 -2.279 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.771 3.074 -1.109 1.00 0.00 N ATOM 0 H GLN A 65 1.606 1.989 1.113 1.00 0.00 H new ATOM 0 HA GLN A 65 1.604 0.507 -1.447 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.713 1.539 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.027 0.002 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.653 1.054 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.346 2.592 -1.802 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.078 3.674 -0.662 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.758 3.329 -1.084 1.00 0.00 H new ATOM 965 N ILE A 66 1.710 -1.802 -0.450 1.00 0.00 N ATOM 966 CA ILE A 66 1.496 -3.124 0.126 1.00 0.00 C ATOM 967 C ILE A 66 2.635 -4.071 -0.234 1.00 0.00 C ATOM 968 O ILE A 66 2.643 -4.668 -1.312 1.00 0.00 O ATOM 969 CB ILE A 66 0.164 -3.735 -0.349 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.993 -2.776 -0.063 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.073 -5.077 0.327 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.217 -3.036 -0.912 1.00 0.00 C ATOM 0 H ILE A 66 1.837 -1.798 -1.462 1.00 0.00 H new ATOM 0 HA ILE A 66 1.462 -2.996 1.208 1.00 0.00 H new ATOM 0 HB ILE A 66 0.218 -3.897 -1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.267 -2.854 0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.656 -1.753 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.018 -5.497 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.740 -5.759 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.111 -4.938 1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.997 -2.319 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.958 -2.929 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.579 -4.047 -0.728 1.00 0.00 H new ATOM 984 N ARG A 67 3.594 -4.207 0.675 1.00 0.00 N ATOM 985 CA ARG A 67 4.738 -5.083 0.453 1.00 0.00 C ATOM 986 C ARG A 67 4.375 -6.536 0.745 1.00 0.00 C ATOM 987 O ARG A 67 3.874 -6.858 1.821 1.00 0.00 O ATOM 988 CB ARG A 67 5.914 -4.654 1.333 1.00 0.00 C ATOM 989 CG ARG A 67 6.636 -3.417 0.825 1.00 0.00 C ATOM 990 CD ARG A 67 6.029 -2.145 1.395 1.00 0.00 C ATOM 991 NE ARG A 67 6.843 -0.969 1.099 1.00 0.00 N ATOM 992 CZ ARG A 67 8.011 -0.719 1.681 1.00 0.00 C ATOM 993 NH1 ARG A 67 8.499 -1.558 2.584 1.00 0.00 N ATOM 994 NH2 ARG A 67 8.694 0.372 1.359 1.00 0.00 N ATOM 0 H ARG A 67 3.602 -3.722 1.572 1.00 0.00 H new ATOM 0 HA ARG A 67 5.028 -5.002 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.550 -4.463 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.625 -5.477 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.690 -3.472 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.589 -3.388 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.029 -2.006 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.920 -2.248 2.475 1.00 0.00 H new ATOM 0 HE ARG A 67 6.496 -0.304 0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.978 -2.398 2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.396 -1.363 3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.323 1.020 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.591 0.563 1.806 1.00 0.00 H new ATOM 1008 N GLY A 68 4.631 -7.411 -0.224 1.00 0.00 N ATOM 1009 CA GLY A 68 4.324 -8.819 -0.052 1.00 0.00 C ATOM 1010 C GLY A 68 3.024 -9.215 -0.724 1.00 0.00 C ATOM 1011 O GLY A 68 2.231 -9.971 -0.162 1.00 0.00 O ATOM 0 H GLY A 68 5.045 -7.170 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.138 -9.418 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.264 -9.047 1.012 1.00 0.00 H new ATOM 1015 N LEU A 69 2.804 -8.703 -1.930 1.00 0.00 N ATOM 1016 CA LEU A 69 1.589 -9.006 -2.679 1.00 0.00 C ATOM 1017 C LEU A 69 1.488 -10.500 -2.971 1.00 0.00 C ATOM 1018 O LEU A 69 2.383 -11.085 -3.580 1.00 0.00 O ATOM 1019 CB LEU A 69 1.564 -8.216 -3.989 1.00 0.00 C ATOM 1020 CG LEU A 69 1.228 -6.729 -3.870 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.383 -6.037 -5.215 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.183 -6.543 -3.332 1.00 0.00 C ATOM 0 H LEU A 69 3.450 -8.077 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 69 0.733 -8.715 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.540 -8.310 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.837 -8.680 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 69 1.926 -6.273 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.140 -4.980 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.412 -6.140 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.709 -6.494 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.405 -5.479 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.896 -7.014 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.260 -7.003 -2.347 1.00 0.00 H new ATOM 1034 N ALA A 70 0.391 -11.110 -2.535 1.00 0.00 N ATOM 1035 CA ALA A 70 0.171 -12.534 -2.753 1.00 0.00 C ATOM 1036 C ALA A 70 -1.246 -12.801 -3.250 1.00 0.00 C ATOM 1037 O ALA A 70 -2.096 -11.911 -3.236 1.00 0.00 O ATOM 1038 CB ALA A 70 0.439 -13.312 -1.473 1.00 0.00 C ATOM 0 H ALA A 70 -0.359 -10.640 -2.029 1.00 0.00 H new ATOM 0 HA ALA A 70 0.867 -12.870 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.271 -14.374 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.472 -13.155 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.233 -12.964 -0.688 1.00 0.00 H new ATOM 1044 N MET A 71 -1.492 -14.031 -3.688 1.00 0.00 N ATOM 1045 CA MET A 71 -2.807 -14.414 -4.189 1.00 0.00 C ATOM 1046 C MET A 71 -3.903 -14.003 -3.210 1.00 0.00 C ATOM 1047 O MET A 71 -4.924 -13.441 -3.607 1.00 0.00 O ATOM 1048 CB MET A 71 -2.864 -15.924 -4.431 1.00 0.00 C ATOM 1049 CG MET A 71 -2.046 -16.378 -5.629 1.00 0.00 C ATOM 1050 SD MET A 71 -2.998 -16.380 -7.160 1.00 0.00 S ATOM 1051 CE MET A 71 -2.825 -14.671 -7.668 1.00 0.00 C ATOM 0 H MET A 71 -0.799 -14.779 -3.706 1.00 0.00 H new ATOM 0 HA MET A 71 -2.974 -13.895 -5.133 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.506 -16.440 -3.540 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.902 -16.222 -4.576 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.182 -15.723 -5.744 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.662 -17.381 -5.443 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.772 -14.618 -8.755 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.684 -14.099 -7.319 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.913 -14.255 -7.239 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.684 -14.285 -1.930 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.651 -13.943 -0.896 1.00 0.00 C ATOM 1063 C ALA A 72 -4.919 -12.442 -0.870 1.00 0.00 C ATOM 1064 O ALA A 72 -6.071 -12.008 -0.833 1.00 0.00 O ATOM 1065 CB ALA A 72 -4.160 -14.417 0.464 1.00 0.00 C ATOM 0 H ALA A 72 -2.844 -14.750 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.588 -14.449 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.893 -14.155 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.026 -15.499 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.209 -13.938 0.695 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.849 -11.655 -0.888 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.969 -10.201 -0.867 1.00 0.00 C ATOM 1073 C ASP A 73 -5.007 -9.727 -1.880 1.00 0.00 C ATOM 1074 O ASP A 73 -5.716 -8.748 -1.646 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.616 -9.552 -1.163 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.559 -9.927 -0.142 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.633 -11.048 0.403 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.659 -9.099 0.111 1.00 0.00 O ATOM 0 H ASP A 73 -2.889 -11.999 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.296 -9.902 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.281 -9.853 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.732 -8.468 -1.181 1.00 0.00 H new ATOM 1083 N THR A 74 -5.090 -10.427 -3.007 1.00 0.00 N ATOM 1084 CA THR A 74 -6.038 -10.076 -4.056 1.00 0.00 C ATOM 1085 C THR A 74 -7.422 -9.803 -3.478 1.00 0.00 C ATOM 1086 O THR A 74 -8.170 -10.729 -3.168 1.00 0.00 O ATOM 1087 CB THR A 74 -6.147 -11.193 -5.111 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.848 -11.515 -5.620 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.055 -10.770 -6.256 1.00 0.00 C ATOM 0 H THR A 74 -4.512 -11.241 -3.216 1.00 0.00 H new ATOM 0 HA THR A 74 -5.661 -9.171 -4.532 1.00 0.00 H new ATOM 0 HB THR A 74 -6.578 -12.073 -4.633 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.463 -12.247 -5.094 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.116 -11.575 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.051 -10.554 -5.870 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.649 -9.877 -6.732 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.757 -8.524 -3.335 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.051 -8.152 -2.794 1.00 0.00 C ATOM 1099 C GLY A 75 -9.460 -6.746 -3.185 1.00 0.00 C ATOM 1100 O GLY A 75 -9.021 -6.228 -4.211 1.00 0.00 O ATOM 0 H GLY A 75 -7.155 -7.739 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.804 -8.857 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.023 -8.230 -1.707 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.305 -6.127 -2.365 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.775 -4.773 -2.633 1.00 0.00 C ATOM 1106 C GLU A 76 -10.343 -3.818 -1.524 1.00 0.00 C ATOM 1107 O GLU A 76 -10.623 -4.048 -0.348 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.298 -4.756 -2.771 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.883 -3.359 -2.893 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.388 -3.370 -3.073 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -15.053 -4.236 -2.466 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -14.902 -2.513 -3.823 1.00 0.00 O ATOM 0 H GLU A 76 -10.677 -6.542 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.329 -4.440 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.581 -5.337 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.738 -5.251 -1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.632 -2.785 -2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.423 -2.849 -3.740 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.658 -2.746 -1.908 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.184 -1.757 -0.948 1.00 0.00 C ATOM 1121 C TYR A 77 -9.980 -0.461 -1.063 1.00 0.00 C ATOM 1122 O TYR A 77 -10.302 -0.012 -2.163 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.697 -1.476 -1.165 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.809 -2.669 -0.890 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -6.831 -3.782 -1.721 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.949 -2.683 0.201 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -6.022 -4.874 -1.474 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.135 -3.770 0.455 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.175 -4.863 -0.385 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.368 -5.949 -0.134 1.00 0.00 O ATOM 0 H TYR A 77 -9.419 -2.540 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.328 -2.163 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.544 -1.149 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.394 -0.651 -0.520 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.492 -3.794 -2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.916 -1.829 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.052 -5.732 -2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.471 -3.764 1.307 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.832 -5.780 0.669 1.00 0.00 H new ATOM 1140 N SER A 78 -10.295 0.137 0.082 1.00 0.00 N ATOM 1141 CA SER A 78 -11.056 1.380 0.112 1.00 0.00 C ATOM 1142 C SER A 78 -10.413 2.388 1.060 1.00 0.00 C ATOM 1143 O SER A 78 -10.104 2.068 2.208 1.00 0.00 O ATOM 1144 CB SER A 78 -12.499 1.109 0.541 1.00 0.00 C ATOM 1145 OG SER A 78 -13.026 -0.023 -0.130 1.00 0.00 O ATOM 0 H SER A 78 -10.035 -0.220 1.001 1.00 0.00 H new ATOM 0 HA SER A 78 -11.056 1.801 -0.893 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.537 0.948 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.115 1.982 0.327 1.00 0.00 H new ATOM 0 HG SER A 78 -13.949 -0.176 0.163 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.214 3.607 0.570 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.607 4.663 1.372 1.00 0.00 C ATOM 1153 C CYS A 79 -10.669 5.616 1.910 1.00 0.00 C ATOM 1154 O CYS A 79 -11.212 6.438 1.172 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.583 5.438 0.541 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.372 6.351 1.526 1.00 0.00 S ATOM 0 H CYS A 79 -10.464 3.888 -0.378 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.101 4.198 2.218 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.055 4.740 -0.109 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.111 6.138 -0.106 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.232 5.726 1.500 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.962 5.500 3.201 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.960 6.350 3.839 1.00 0.00 C ATOM 1164 C VAL A 80 -11.306 7.542 4.530 1.00 0.00 C ATOM 1165 O VAL A 80 -10.255 7.408 5.158 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.790 5.564 4.871 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.167 6.190 5.037 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.905 4.104 4.461 1.00 0.00 C ATOM 0 H VAL A 80 -10.522 4.825 3.826 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.621 6.709 3.050 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.279 5.608 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.739 5.621 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.060 7.219 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.690 6.179 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.495 3.563 5.201 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.393 4.036 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.910 3.664 4.398 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.934 8.706 4.410 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.413 9.922 5.024 1.00 0.00 C ATOM 1180 C CYS A 81 -12.504 10.648 5.804 1.00 0.00 C ATOM 1181 O CYS A 81 -12.370 11.828 6.127 1.00 0.00 O ATOM 1182 CB CYS A 81 -10.831 10.848 3.955 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.050 11.933 3.175 1.00 0.00 S ATOM 0 H CYS A 81 -12.804 8.834 3.893 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.623 9.639 5.719 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.051 11.461 4.406 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.354 10.242 3.185 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.518 11.362 2.105 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.586 9.935 6.101 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.686 10.528 6.839 1.00 0.00 C ATOM 1191 C GLY A 82 -16.014 9.864 6.534 1.00 0.00 C ATOM 1192 O GLY A 82 -16.314 8.793 7.060 1.00 0.00 O ATOM 0 H GLY A 82 -13.720 8.957 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.484 10.455 7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.750 11.589 6.599 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.812 10.502 5.684 1.00 0.00 N ATOM 1197 CA GLN A 83 -18.116 9.967 5.312 1.00 0.00 C ATOM 1198 C GLN A 83 -18.042 9.231 3.978 1.00 0.00 C ATOM 1199 O GLN A 83 -18.753 8.250 3.760 1.00 0.00 O ATOM 1200 CB GLN A 83 -19.148 11.093 5.230 1.00 0.00 C ATOM 1201 CG GLN A 83 -19.601 11.603 6.589 1.00 0.00 C ATOM 1202 CD GLN A 83 -20.191 12.997 6.522 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.810 13.375 5.527 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.002 13.772 7.584 1.00 0.00 N ATOM 0 H GLN A 83 -16.578 11.390 5.240 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.423 9.258 6.081 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.725 11.922 4.663 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -20.017 10.738 4.676 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -20.342 10.918 7.001 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.753 11.604 7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.483 13.418 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.376 14.721 7.596 1.00 0.00 H new ATOM 1213 N GLU A 84 -17.178 9.711 3.089 1.00 0.00 N ATOM 1214 CA GLU A 84 -17.014 9.099 1.777 1.00 0.00 C ATOM 1215 C GLU A 84 -15.715 8.300 1.708 1.00 0.00 C ATOM 1216 O GLU A 84 -14.857 8.414 2.583 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.025 10.170 0.684 1.00 0.00 C ATOM 1218 CG GLU A 84 -16.345 11.466 1.096 1.00 0.00 C ATOM 1219 CD GLU A 84 -14.981 11.238 1.717 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -14.923 10.928 2.925 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -13.971 11.369 0.993 1.00 0.00 O ATOM 0 H GLU A 84 -16.581 10.522 3.254 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.849 8.418 1.616 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.531 9.776 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.057 10.383 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.239 12.110 0.223 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.980 11.995 1.807 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.580 7.491 0.662 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.388 6.672 0.479 1.00 0.00 C ATOM 1230 C ARG A 85 -14.296 6.157 -0.954 1.00 0.00 C ATOM 1231 O ARG A 85 -15.293 6.119 -1.677 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.398 5.494 1.456 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.080 4.252 0.905 1.00 0.00 C ATOM 1234 CD ARG A 85 -15.529 3.322 2.022 1.00 0.00 C ATOM 1235 NE ARG A 85 -16.471 2.312 1.547 1.00 0.00 N ATOM 1236 CZ ARG A 85 -16.707 1.171 2.184 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -16.074 0.896 3.316 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -17.579 0.301 1.689 1.00 0.00 N ATOM 0 H ARG A 85 -16.281 7.385 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.516 7.295 0.679 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.371 5.246 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.902 5.798 2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.942 4.544 0.305 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.395 3.723 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -14.659 2.830 2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -15.994 3.907 2.816 1.00 0.00 H new ATOM 0 HE ARG A 85 -16.975 2.493 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -15.403 1.562 3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -16.258 0.019 3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.068 0.509 0.819 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -17.759 -0.575 2.179 1.00 0.00 H new ATOM 1252 N THR A 86 -13.094 5.762 -1.360 1.00 0.00 N ATOM 1253 CA THR A 86 -12.871 5.251 -2.707 1.00 0.00 C ATOM 1254 C THR A 86 -12.663 3.741 -2.695 1.00 0.00 C ATOM 1255 O THR A 86 -12.688 3.110 -1.639 1.00 0.00 O ATOM 1256 CB THR A 86 -11.651 5.921 -3.367 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.419 5.349 -4.660 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.410 5.756 -2.504 1.00 0.00 C ATOM 0 H THR A 86 -12.259 5.786 -0.775 1.00 0.00 H new ATOM 0 HA THR A 86 -13.764 5.487 -3.286 1.00 0.00 H new ATOM 0 HB THR A 86 -11.861 6.985 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.196 5.513 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.562 6.237 -2.991 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.580 6.217 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.198 4.695 -2.371 1.00 0.00 H new ATOM 1266 N SER A 87 -12.458 3.167 -3.877 1.00 0.00 N ATOM 1267 CA SER A 87 -12.249 1.729 -4.002 1.00 0.00 C ATOM 1268 C SER A 87 -11.528 1.397 -5.305 1.00 0.00 C ATOM 1269 O SER A 87 -11.813 1.980 -6.351 1.00 0.00 O ATOM 1270 CB SER A 87 -13.587 0.991 -3.943 1.00 0.00 C ATOM 1271 OG SER A 87 -14.634 1.789 -4.468 1.00 0.00 O ATOM 0 H SER A 87 -12.432 3.676 -4.761 1.00 0.00 H new ATOM 0 HA SER A 87 -11.626 1.403 -3.169 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.518 0.060 -4.506 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.813 0.723 -2.911 1.00 0.00 H new ATOM 0 HG SER A 87 -15.478 1.294 -4.420 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.593 0.455 -5.233 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.833 0.043 -6.406 1.00 0.00 C ATOM 1279 C ALA A 88 -9.448 -1.430 -6.321 1.00 0.00 C ATOM 1280 O ALA A 88 -8.589 -1.812 -5.527 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.590 0.907 -6.560 1.00 0.00 C ATOM 0 H ALA A 88 -10.344 -0.037 -4.375 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.466 0.176 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.032 0.588 -7.440 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.884 1.950 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.962 0.803 -5.675 1.00 0.00 H new ATOM 1287 N MET A 89 -10.090 -2.253 -7.144 1.00 0.00 N ATOM 1288 CA MET A 89 -9.813 -3.685 -7.161 1.00 0.00 C ATOM 1289 C MET A 89 -8.324 -3.949 -7.359 1.00 0.00 C ATOM 1290 O MET A 89 -7.708 -3.425 -8.288 1.00 0.00 O ATOM 1291 CB MET A 89 -10.616 -4.368 -8.270 1.00 0.00 C ATOM 1292 CG MET A 89 -11.991 -4.838 -7.824 1.00 0.00 C ATOM 1293 SD MET A 89 -12.009 -6.578 -7.349 1.00 0.00 S ATOM 1294 CE MET A 89 -11.004 -6.534 -5.866 1.00 0.00 C ATOM 0 H MET A 89 -10.805 -1.953 -7.807 1.00 0.00 H new ATOM 0 HA MET A 89 -10.112 -4.099 -6.198 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.731 -3.675 -9.104 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.052 -5.223 -8.642 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.322 -4.232 -6.981 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.705 -4.678 -8.632 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.228 -7.404 -5.249 1.00 0.00 H new ATOM 0 HE2 MET A 89 -9.949 -6.545 -6.141 1.00 0.00 H new ATOM 0 HE3 MET A 89 -11.223 -5.625 -5.305 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.750 -4.763 -6.480 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.332 -5.096 -6.558 1.00 0.00 C ATOM 1306 C LEU A 90 -6.136 -6.546 -6.989 1.00 0.00 C ATOM 1307 O LEU A 90 -6.409 -7.475 -6.226 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.657 -4.858 -5.206 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.341 -5.602 -4.973 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.314 -5.212 -6.024 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.810 -5.320 -3.575 1.00 0.00 C ATOM 0 H LEU A 90 -8.245 -5.205 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.873 -4.449 -7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.471 -3.789 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.356 -5.141 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.530 -6.672 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.384 -5.751 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.693 -5.465 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.128 -4.139 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.873 -5.857 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.637 -4.250 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.539 -5.651 -2.835 1.00 0.00 H new ATOM 1323 N THR A 91 -5.660 -6.735 -8.216 1.00 0.00 N ATOM 1324 CA THR A 91 -5.427 -8.071 -8.748 1.00 0.00 C ATOM 1325 C THR A 91 -3.950 -8.443 -8.671 1.00 0.00 C ATOM 1326 O THR A 91 -3.090 -7.718 -9.171 1.00 0.00 O ATOM 1327 CB THR A 91 -5.898 -8.184 -10.210 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.323 -8.065 -10.276 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.466 -9.510 -10.817 1.00 0.00 C ATOM 0 H THR A 91 -5.428 -5.979 -8.860 1.00 0.00 H new ATOM 0 HA THR A 91 -6.006 -8.761 -8.134 1.00 0.00 H new ATOM 0 HB THR A 91 -5.440 -7.376 -10.780 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.614 -8.136 -11.209 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.810 -9.567 -11.850 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.379 -9.585 -10.792 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.899 -10.330 -10.245 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.663 -9.579 -8.043 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.289 -10.048 -7.903 1.00 0.00 C ATOM 1339 C VAL A 92 -1.982 -11.155 -8.905 1.00 0.00 C ATOM 1340 O VAL A 92 -2.194 -12.336 -8.626 1.00 0.00 O ATOM 1341 CB VAL A 92 -2.017 -10.569 -6.479 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.601 -11.115 -6.372 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.252 -9.469 -5.455 1.00 0.00 C ATOM 0 H VAL A 92 -4.363 -10.191 -7.623 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.641 -9.194 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.712 -11.383 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.427 -11.479 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.473 -11.935 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.112 -10.323 -6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.055 -9.855 -4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.583 -8.633 -5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.286 -9.130 -5.516 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.481 -10.766 -10.073 1.00 0.00 N ATOM 1354 CA ARG A 93 -1.145 -11.726 -11.118 1.00 0.00 C ATOM 1355 C ARG A 93 -0.016 -12.647 -10.666 1.00 0.00 C ATOM 1356 O ARG A 93 1.146 -12.245 -10.620 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.741 -10.996 -12.399 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.894 -10.279 -13.082 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.855 -11.263 -13.732 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.415 -11.657 -15.067 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.660 -10.945 -16.162 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -3.338 -9.809 -16.079 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -2.226 -11.370 -17.342 1.00 0.00 N ATOM 0 H ARG A 93 -1.299 -9.793 -10.319 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.028 -12.333 -11.318 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.038 -10.271 -12.163 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.308 -11.714 -13.095 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.431 -9.673 -12.352 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.504 -9.597 -13.837 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.946 -12.149 -13.104 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.846 -10.814 -13.795 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.891 -12.526 -15.165 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.673 -9.480 -15.173 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.525 -9.264 -16.921 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.704 -12.244 -17.409 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.415 -10.823 -18.182 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.366 -13.886 -10.334 1.00 0.00 N ATOM 1378 CA ALA A 94 0.618 -14.864 -9.888 1.00 0.00 C ATOM 1379 C ALA A 94 1.794 -14.940 -10.856 1.00 0.00 C ATOM 1380 O ALA A 94 1.608 -15.053 -12.068 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.031 -16.232 -9.735 1.00 0.00 C ATOM 0 H ALA A 94 -1.324 -14.236 -10.366 1.00 0.00 H new ATOM 0 HA ALA A 94 0.999 -14.544 -8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.715 -16.953 -9.401 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.834 -16.174 -9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.440 -16.550 -10.694 1.00 0.00 H new ATOM 1387 N LEU A 95 3.005 -14.878 -10.313 1.00 0.00 N ATOM 1388 CA LEU A 95 4.213 -14.939 -11.129 1.00 0.00 C ATOM 1389 C LEU A 95 4.300 -16.266 -11.875 1.00 0.00 C ATOM 1390 O LEU A 95 3.773 -17.289 -11.436 1.00 0.00 O ATOM 1391 CB LEU A 95 5.453 -14.750 -10.254 1.00 0.00 C ATOM 1392 CG LEU A 95 5.692 -13.337 -9.723 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.583 -13.372 -8.491 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.306 -12.458 -10.803 1.00 0.00 C ATOM 0 H LEU A 95 3.177 -14.786 -9.312 1.00 0.00 H new ATOM 0 HA LEU A 95 4.167 -14.134 -11.862 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.380 -15.428 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.328 -15.053 -10.829 1.00 0.00 H new ATOM 0 HG LEU A 95 4.731 -12.910 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.742 -12.357 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.104 -13.965 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.543 -13.819 -8.749 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.469 -11.456 -10.407 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.259 -12.883 -11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.631 -12.405 -11.657 1.00 0.00 H new