USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 665 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 10 GLN : amide:sc= -5.94! C(o=-9.7!,f=-13!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -3.74! C(o=-9.7!,f=-9.7!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 130:sc= -0.244 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -122:sc= -1.57! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -70:sc= -3.76! USER MOD Single : A 43 LYS NZ :NH3+ 134:sc= -0.376 (180deg=-1.84) USER MOD Single : A 45 TYR OH : rot 138:sc= 0.0718 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.029) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -164:sc= 2.97 (180deg=2.54) USER MOD Single : A 80 THR OG1 : rot -19:sc= -0.247! USER MOD Single : A 83 GLN : amide:sc= -1.78! X(o=-1.8!,f=-1.7) USER MOD Single : A 89 ASN : amide:sc= -0.455 K(o=-0.46,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 51 N PRO A 4 8.195 -10.295 -3.619 1.00 0.00 N ATOM 52 CA PRO A 4 7.437 -9.485 -4.580 1.00 0.00 C ATOM 53 C PRO A 4 8.141 -8.174 -4.910 1.00 0.00 C ATOM 54 O PRO A 4 8.852 -7.615 -4.075 1.00 0.00 O ATOM 55 CB PRO A 4 6.117 -9.211 -3.853 1.00 0.00 C ATOM 56 CG PRO A 4 5.984 -10.321 -2.868 1.00 0.00 C ATOM 57 CD PRO A 4 7.384 -10.676 -2.451 1.00 0.00 C ATOM 0 HA PRO A 4 7.315 -9.995 -5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 4 6.134 -8.241 -3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.278 -9.198 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 4 5.388 -10.011 -2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.480 -11.179 -3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.687 -10.132 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.479 -11.738 -2.225 1.00 0.00 H new ATOM 65 N ALA A 5 7.941 -7.685 -6.130 1.00 0.00 N ATOM 66 CA ALA A 5 8.559 -6.437 -6.561 1.00 0.00 C ATOM 67 C ALA A 5 7.548 -5.297 -6.544 1.00 0.00 C ATOM 68 O ALA A 5 7.231 -4.719 -7.584 1.00 0.00 O ATOM 69 CB ALA A 5 9.166 -6.582 -7.949 1.00 0.00 C ATOM 0 H ALA A 5 7.357 -8.133 -6.836 1.00 0.00 H new ATOM 0 HA ALA A 5 9.358 -6.201 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.621 -5.637 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.927 -7.362 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.386 -6.850 -8.661 1.00 0.00 H new ATOM 75 N PHE A 6 7.044 -4.979 -5.357 1.00 0.00 N ATOM 76 CA PHE A 6 6.068 -3.910 -5.200 1.00 0.00 C ATOM 77 C PHE A 6 6.724 -2.542 -5.354 1.00 0.00 C ATOM 78 O PHE A 6 7.948 -2.418 -5.306 1.00 0.00 O ATOM 79 CB PHE A 6 5.400 -4.012 -3.828 1.00 0.00 C ATOM 80 CG PHE A 6 6.204 -3.390 -2.724 1.00 0.00 C ATOM 81 CD1 PHE A 6 7.403 -3.955 -2.321 1.00 0.00 C ATOM 82 CD2 PHE A 6 5.763 -2.238 -2.092 1.00 0.00 C ATOM 83 CE1 PHE A 6 8.149 -3.382 -1.307 1.00 0.00 C ATOM 84 CE2 PHE A 6 6.505 -1.662 -1.078 1.00 0.00 C ATOM 85 CZ PHE A 6 7.698 -2.235 -0.684 1.00 0.00 C ATOM 0 H PHE A 6 7.297 -5.449 -4.488 1.00 0.00 H new ATOM 0 HA PHE A 6 5.315 -4.019 -5.981 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.423 -3.530 -3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.227 -5.062 -3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 6 7.759 -4.853 -2.804 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.830 -1.786 -2.395 1.00 0.00 H new ATOM 0 HE1 PHE A 6 9.083 -3.831 -1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.152 -0.764 -0.594 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.277 -1.787 0.110 1.00 0.00 H new ATOM 95 N ASP A 7 5.899 -1.518 -5.541 1.00 0.00 N ATOM 96 CA ASP A 7 6.393 -0.156 -5.703 1.00 0.00 C ATOM 97 C ASP A 7 5.373 0.852 -5.183 1.00 0.00 C ATOM 98 O ASP A 7 4.166 0.622 -5.256 1.00 0.00 O ATOM 99 CB ASP A 7 6.706 0.122 -7.172 1.00 0.00 C ATOM 100 CG ASP A 7 8.137 -0.225 -7.531 1.00 0.00 C ATOM 101 OD1 ASP A 7 9.060 0.351 -6.918 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.336 -1.075 -8.424 1.00 0.00 O ATOM 0 H ASP A 7 4.884 -1.606 -5.584 1.00 0.00 H new ATOM 0 HA ASP A 7 7.309 -0.052 -5.121 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.026 -0.453 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.525 1.175 -7.387 1.00 0.00 H new ATOM 107 N LEU A 8 5.865 1.967 -4.649 1.00 0.00 N ATOM 108 CA LEU A 8 4.992 3.002 -4.109 1.00 0.00 C ATOM 109 C LEU A 8 5.101 4.297 -4.905 1.00 0.00 C ATOM 110 O LEU A 8 6.196 4.748 -5.241 1.00 0.00 O ATOM 111 CB LEU A 8 5.332 3.269 -2.642 1.00 0.00 C ATOM 112 CG LEU A 8 5.848 2.057 -1.864 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.659 2.503 -0.658 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.691 1.172 -1.432 1.00 0.00 C ATOM 0 H LEU A 8 6.861 2.175 -4.579 1.00 0.00 H new ATOM 0 HA LEU A 8 3.966 2.641 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.084 4.057 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.441 3.650 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 8 6.499 1.478 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.018 1.627 -0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.510 3.097 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.032 3.104 0.000 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.075 0.314 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.016 1.742 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.151 0.824 -2.312 1.00 0.00 H new ATOM 126 N SER A 9 3.950 4.898 -5.183 1.00 0.00 N ATOM 127 CA SER A 9 3.883 6.155 -5.917 1.00 0.00 C ATOM 128 C SER A 9 2.804 7.036 -5.309 1.00 0.00 C ATOM 129 O SER A 9 1.710 6.560 -5.002 1.00 0.00 O ATOM 130 CB SER A 9 3.593 5.903 -7.398 1.00 0.00 C ATOM 131 OG SER A 9 4.094 6.958 -8.201 1.00 0.00 O ATOM 0 H SER A 9 3.040 4.529 -4.907 1.00 0.00 H new ATOM 0 HA SER A 9 4.846 6.660 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.046 4.961 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.518 5.805 -7.550 1.00 0.00 H new ATOM 0 HG SER A 9 3.898 6.773 -9.143 1.00 0.00 H new ATOM 137 N GLN A 10 3.112 8.309 -5.103 1.00 0.00 N ATOM 138 CA GLN A 10 2.151 9.215 -4.494 1.00 0.00 C ATOM 139 C GLN A 10 2.013 10.527 -5.259 1.00 0.00 C ATOM 140 O GLN A 10 2.979 11.058 -5.807 1.00 0.00 O ATOM 141 CB GLN A 10 2.557 9.501 -3.048 1.00 0.00 C ATOM 142 CG GLN A 10 3.553 10.642 -2.906 1.00 0.00 C ATOM 143 CD GLN A 10 4.661 10.580 -3.939 1.00 0.00 C ATOM 144 OE1 GLN A 10 5.175 9.506 -4.253 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.035 11.736 -4.476 1.00 0.00 N ATOM 0 H GLN A 10 4.008 8.733 -5.345 1.00 0.00 H new ATOM 0 HA GLN A 10 1.179 8.722 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.664 9.736 -2.469 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.988 8.598 -2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.027 11.592 -2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.990 10.616 -1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.582 12.603 -4.187 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.775 11.757 -5.178 1.00 0.00 H new ATOM 154 N ASP A 11 0.791 11.042 -5.266 1.00 0.00 N ATOM 155 CA ASP A 11 0.471 12.298 -5.928 1.00 0.00 C ATOM 156 C ASP A 11 0.168 13.372 -4.886 1.00 0.00 C ATOM 157 O ASP A 11 -0.134 13.063 -3.733 1.00 0.00 O ATOM 158 CB ASP A 11 -0.727 12.121 -6.863 1.00 0.00 C ATOM 159 CG ASP A 11 -0.312 11.981 -8.315 1.00 0.00 C ATOM 160 OD1 ASP A 11 0.125 12.989 -8.908 1.00 0.00 O ATOM 161 OD2 ASP A 11 -0.425 10.862 -8.859 1.00 0.00 O ATOM 0 H ASP A 11 -0.008 10.599 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 11 1.331 12.609 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.291 11.238 -6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.394 12.977 -6.760 1.00 0.00 H new ATOM 166 N PRO A 12 0.247 14.651 -5.279 1.00 0.00 N ATOM 167 CA PRO A 12 -0.015 15.782 -4.377 1.00 0.00 C ATOM 168 C PRO A 12 -1.468 15.855 -3.907 1.00 0.00 C ATOM 169 O PRO A 12 -1.827 16.739 -3.129 1.00 0.00 O ATOM 170 CB PRO A 12 0.332 17.008 -5.223 1.00 0.00 C ATOM 171 CG PRO A 12 0.214 16.549 -6.636 1.00 0.00 C ATOM 172 CD PRO A 12 0.600 15.096 -6.636 1.00 0.00 C ATOM 0 HA PRO A 12 0.567 15.697 -3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.349 17.834 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.339 17.364 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.803 16.682 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.868 17.126 -7.289 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.057 14.536 -7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.662 14.962 -6.839 1.00 0.00 H new ATOM 180 N ASP A 13 -2.297 14.920 -4.361 1.00 0.00 N ATOM 181 CA ASP A 13 -3.700 14.881 -3.961 1.00 0.00 C ATOM 182 C ASP A 13 -4.124 13.457 -3.600 1.00 0.00 C ATOM 183 O ASP A 13 -5.297 13.206 -3.323 1.00 0.00 O ATOM 184 CB ASP A 13 -4.587 15.414 -5.086 1.00 0.00 C ATOM 185 CG ASP A 13 -4.341 16.883 -5.373 1.00 0.00 C ATOM 186 OD1 ASP A 13 -4.279 17.675 -4.409 1.00 0.00 O ATOM 187 OD2 ASP A 13 -4.209 17.241 -6.563 1.00 0.00 O ATOM 0 H ASP A 13 -2.022 14.179 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.818 15.513 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.407 14.835 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.634 15.270 -4.818 1.00 0.00 H new ATOM 192 N PHE A 14 -3.154 12.538 -3.588 1.00 0.00 N ATOM 193 CA PHE A 14 -3.411 11.135 -3.254 1.00 0.00 C ATOM 194 C PHE A 14 -2.109 10.355 -3.109 1.00 0.00 C ATOM 195 O PHE A 14 -1.034 10.844 -3.439 1.00 0.00 O ATOM 196 CB PHE A 14 -4.246 10.444 -4.343 1.00 0.00 C ATOM 197 CG PHE A 14 -5.413 11.237 -4.854 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.240 12.195 -5.840 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.685 11.018 -4.351 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.314 12.924 -6.313 1.00 0.00 C ATOM 201 CE2 PHE A 14 -7.763 11.743 -4.821 1.00 0.00 C ATOM 202 CZ PHE A 14 -7.578 12.697 -5.803 1.00 0.00 C ATOM 0 H PHE A 14 -2.179 12.743 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.956 11.139 -2.310 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.593 10.207 -5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.615 9.497 -3.949 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.254 12.374 -6.243 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.835 10.273 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.166 13.670 -7.080 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.750 11.564 -4.421 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.420 13.264 -6.171 1.00 0.00 H new ATOM 212 N LEU A 15 -2.237 9.124 -2.634 1.00 0.00 N ATOM 213 CA LEU A 15 -1.103 8.224 -2.464 1.00 0.00 C ATOM 214 C LEU A 15 -1.498 6.833 -2.932 1.00 0.00 C ATOM 215 O LEU A 15 -2.330 6.179 -2.304 1.00 0.00 O ATOM 216 CB LEU A 15 -0.652 8.168 -1.002 1.00 0.00 C ATOM 217 CG LEU A 15 0.300 7.020 -0.659 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.473 5.726 -0.453 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.353 6.846 -1.747 1.00 0.00 C ATOM 0 H LEU A 15 -3.131 8.720 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.270 8.599 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.165 9.110 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.535 8.088 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 15 0.810 7.269 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.222 4.922 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.182 5.852 0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.013 5.475 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.018 6.024 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.863 6.624 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.932 7.765 -1.844 1.00 0.00 H new ATOM 231 N THR A 16 -0.919 6.379 -4.038 1.00 0.00 N ATOM 232 CA THR A 16 -1.248 5.067 -4.564 1.00 0.00 C ATOM 233 C THR A 16 -0.141 4.065 -4.285 1.00 0.00 C ATOM 234 O THR A 16 1.038 4.417 -4.232 1.00 0.00 O ATOM 235 CB THR A 16 -1.507 5.119 -6.080 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.304 6.256 -6.434 1.00 0.00 O ATOM 237 CG2 THR A 16 -2.224 3.863 -6.548 1.00 0.00 C ATOM 0 H THR A 16 -0.227 6.896 -4.580 1.00 0.00 H new ATOM 0 HA THR A 16 -2.158 4.746 -4.057 1.00 0.00 H new ATOM 0 HB THR A 16 -0.535 5.194 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.876 6.739 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.397 3.922 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.610 2.990 -6.326 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.180 3.776 -6.031 1.00 0.00 H new ATOM 245 N ILE A 17 -0.535 2.813 -4.108 1.00 0.00 N ATOM 246 CA ILE A 17 0.410 1.745 -3.834 1.00 0.00 C ATOM 247 C ILE A 17 0.277 0.636 -4.872 1.00 0.00 C ATOM 248 O ILE A 17 -0.779 0.475 -5.486 1.00 0.00 O ATOM 249 CB ILE A 17 0.207 1.177 -2.418 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.052 2.332 -1.418 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.370 0.273 -2.037 1.00 0.00 C ATOM 252 CD1 ILE A 17 0.168 1.910 0.031 1.00 0.00 C ATOM 0 H ILE A 17 -1.509 2.512 -4.150 1.00 0.00 H new ATOM 0 HA ILE A 17 1.415 2.162 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.701 0.575 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.811 3.086 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -0.918 2.805 -1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.211 -0.121 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.435 -0.554 -2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.298 0.845 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.047 2.781 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.608 1.179 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.148 1.465 0.203 1.00 0.00 H new ATOM 264 N ALA A 18 1.349 -0.123 -5.068 1.00 0.00 N ATOM 265 CA ALA A 18 1.342 -1.210 -6.039 1.00 0.00 C ATOM 266 C ALA A 18 2.014 -2.454 -5.475 1.00 0.00 C ATOM 267 O ALA A 18 3.227 -2.478 -5.265 1.00 0.00 O ATOM 268 CB ALA A 18 2.017 -0.786 -7.335 1.00 0.00 C ATOM 0 H ALA A 18 2.231 -0.006 -4.569 1.00 0.00 H new ATOM 0 HA ALA A 18 0.301 -1.452 -6.255 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.999 -1.615 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.486 0.066 -7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.050 -0.505 -7.132 1.00 0.00 H new ATOM 274 N ILE A 19 1.216 -3.487 -5.234 1.00 0.00 N ATOM 275 CA ILE A 19 1.726 -4.741 -4.697 1.00 0.00 C ATOM 276 C ILE A 19 1.471 -5.889 -5.664 1.00 0.00 C ATOM 277 O ILE A 19 0.338 -6.109 -6.093 1.00 0.00 O ATOM 278 CB ILE A 19 1.074 -5.077 -3.343 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.912 -3.811 -2.501 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.902 -6.115 -2.599 1.00 0.00 C ATOM 281 CD1 ILE A 19 -0.199 -3.906 -1.478 1.00 0.00 C ATOM 0 H ILE A 19 0.210 -3.480 -5.403 1.00 0.00 H new ATOM 0 HA ILE A 19 2.799 -4.614 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 19 0.084 -5.495 -3.527 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.851 -3.602 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.716 -2.967 -3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.428 -6.342 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.968 -7.024 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.904 -5.723 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.257 -2.973 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.147 -4.084 -1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.006 -4.729 -0.794 1.00 0.00 H new ATOM 293 N ARG A 20 2.525 -6.623 -6.001 1.00 0.00 N ATOM 294 CA ARG A 20 2.400 -7.751 -6.913 1.00 0.00 C ATOM 295 C ARG A 20 2.397 -9.064 -6.143 1.00 0.00 C ATOM 296 O ARG A 20 3.355 -9.386 -5.439 1.00 0.00 O ATOM 297 CB ARG A 20 3.544 -7.738 -7.928 1.00 0.00 C ATOM 298 CG ARG A 20 3.347 -8.707 -9.082 1.00 0.00 C ATOM 299 CD ARG A 20 4.673 -9.260 -9.572 1.00 0.00 C ATOM 300 NE ARG A 20 4.494 -10.377 -10.495 1.00 0.00 N ATOM 301 CZ ARG A 20 5.443 -10.809 -11.320 1.00 0.00 C ATOM 302 NH1 ARG A 20 6.637 -10.232 -11.317 1.00 0.00 N ATOM 303 NH2 ARG A 20 5.199 -11.818 -12.145 1.00 0.00 N ATOM 0 H ARG A 20 3.471 -6.458 -5.658 1.00 0.00 H new ATOM 0 HA ARG A 20 1.454 -7.661 -7.446 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.653 -6.729 -8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.475 -7.981 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.704 -9.528 -8.764 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.837 -8.201 -9.901 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.235 -8.468 -10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.267 -9.587 -8.718 1.00 0.00 H new ATOM 0 HE ARG A 20 3.591 -10.852 -10.508 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.827 -9.457 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.365 -10.563 -11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.282 -12.264 -12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.928 -12.148 -12.777 1.00 0.00 H new ATOM 317 N VAL A 21 1.309 -9.814 -6.270 1.00 0.00 N ATOM 318 CA VAL A 21 1.177 -11.085 -5.575 1.00 0.00 C ATOM 319 C VAL A 21 0.439 -12.113 -6.424 1.00 0.00 C ATOM 320 O VAL A 21 -0.633 -11.838 -6.963 1.00 0.00 O ATOM 321 CB VAL A 21 0.435 -10.911 -4.236 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.105 -9.838 -3.391 1.00 0.00 C ATOM 323 CG2 VAL A 21 -1.028 -10.572 -4.476 1.00 0.00 C ATOM 0 H VAL A 21 0.507 -9.563 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 21 2.188 -11.445 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 21 0.481 -11.854 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.568 -9.728 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.137 -10.126 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.091 -8.890 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.536 -10.453 -3.519 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.098 -9.643 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.500 -11.377 -5.039 1.00 0.00 H new ATOM 333 N SER A 22 1.021 -13.302 -6.533 1.00 0.00 N ATOM 334 CA SER A 22 0.426 -14.382 -7.308 1.00 0.00 C ATOM 335 C SER A 22 0.096 -15.564 -6.405 1.00 0.00 C ATOM 336 O SER A 22 -0.887 -16.273 -6.621 1.00 0.00 O ATOM 337 CB SER A 22 1.379 -14.823 -8.422 1.00 0.00 C ATOM 338 OG SER A 22 0.723 -14.837 -9.678 1.00 0.00 O ATOM 0 H SER A 22 1.909 -13.542 -6.092 1.00 0.00 H new ATOM 0 HA SER A 22 -0.497 -14.017 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.234 -14.148 -8.462 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.768 -15.817 -8.200 1.00 0.00 H new ATOM 0 HG SER A 22 1.353 -15.120 -10.373 1.00 0.00 H new ATOM 344 N TYR A 23 0.927 -15.763 -5.388 1.00 0.00 N ATOM 345 CA TYR A 23 0.737 -16.850 -4.435 1.00 0.00 C ATOM 346 C TYR A 23 -0.526 -16.625 -3.606 1.00 0.00 C ATOM 347 O TYR A 23 -0.960 -17.515 -2.873 1.00 0.00 O ATOM 348 CB TYR A 23 1.950 -16.966 -3.507 1.00 0.00 C ATOM 349 CG TYR A 23 3.210 -17.469 -4.186 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.467 -17.207 -5.528 1.00 0.00 C ATOM 351 CD2 TYR A 23 4.147 -18.209 -3.473 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.620 -17.666 -6.136 1.00 0.00 C ATOM 353 CE2 TYR A 23 5.301 -18.670 -4.077 1.00 0.00 C ATOM 354 CZ TYR A 23 5.533 -18.396 -5.407 1.00 0.00 C ATOM 355 OH TYR A 23 6.681 -18.851 -6.011 1.00 0.00 O ATOM 0 H TYR A 23 1.744 -15.181 -5.202 1.00 0.00 H new ATOM 0 HA TYR A 23 0.629 -17.778 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.153 -15.988 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.701 -17.638 -2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.754 -16.636 -6.104 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.970 -18.427 -2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.805 -17.453 -7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.019 -19.243 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 23 7.219 -19.347 -5.359 1.00 0.00 H new ATOM 365 N ALA A 24 -1.100 -15.426 -3.729 1.00 0.00 N ATOM 366 CA ALA A 24 -2.311 -15.054 -2.998 1.00 0.00 C ATOM 367 C ALA A 24 -3.134 -16.279 -2.613 1.00 0.00 C ATOM 368 O ALA A 24 -3.751 -16.919 -3.464 1.00 0.00 O ATOM 369 CB ALA A 24 -3.160 -14.091 -3.814 1.00 0.00 C ATOM 0 H ALA A 24 -0.740 -14.689 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.995 -14.557 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.055 -13.828 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.586 -13.189 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.448 -14.565 -4.752 1.00 0.00 H new ATOM 375 N ARG A 25 -3.136 -16.599 -1.323 1.00 0.00 N ATOM 376 CA ARG A 25 -3.880 -17.747 -0.820 1.00 0.00 C ATOM 377 C ARG A 25 -5.185 -17.310 -0.170 1.00 0.00 C ATOM 378 O ARG A 25 -5.853 -18.102 0.497 1.00 0.00 O ATOM 379 CB ARG A 25 -3.036 -18.529 0.182 1.00 0.00 C ATOM 380 CG ARG A 25 -3.085 -20.028 -0.035 1.00 0.00 C ATOM 381 CD ARG A 25 -1.904 -20.723 0.614 1.00 0.00 C ATOM 382 NE ARG A 25 -1.753 -22.097 0.145 1.00 0.00 N ATOM 383 CZ ARG A 25 -0.849 -22.944 0.625 1.00 0.00 C ATOM 384 NH1 ARG A 25 -0.026 -22.562 1.592 1.00 0.00 N ATOM 385 NH2 ARG A 25 -0.769 -24.176 0.140 1.00 0.00 N ATOM 0 H ARG A 25 -2.630 -16.078 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.116 -18.391 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.001 -18.193 0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.380 -18.303 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.013 -20.426 0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.092 -20.242 -1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.993 -20.165 0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.032 -20.721 1.696 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.376 -22.425 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.086 -21.616 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.667 -23.214 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.402 -24.474 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.075 -24.825 0.509 1.00 0.00 H new ATOM 399 N VAL A 26 -5.544 -16.047 -0.364 1.00 0.00 N ATOM 400 CA VAL A 26 -6.770 -15.508 0.210 1.00 0.00 C ATOM 401 C VAL A 26 -7.693 -14.961 -0.875 1.00 0.00 C ATOM 402 O VAL A 26 -7.273 -14.173 -1.723 1.00 0.00 O ATOM 403 CB VAL A 26 -6.468 -14.391 1.226 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.471 -14.875 2.268 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.949 -13.151 0.517 1.00 0.00 C ATOM 0 H VAL A 26 -5.005 -15.378 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.268 -16.331 0.723 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.394 -14.128 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.269 -14.073 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.886 -15.733 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.543 -15.166 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.741 -12.372 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.033 -13.396 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.700 -12.794 -0.188 1.00 0.00 H new ATOM 415 N SER A 27 -8.952 -15.385 -0.838 1.00 0.00 N ATOM 416 CA SER A 27 -9.939 -14.939 -1.815 1.00 0.00 C ATOM 417 C SER A 27 -10.044 -13.418 -1.823 1.00 0.00 C ATOM 418 O SER A 27 -10.155 -12.797 -2.881 1.00 0.00 O ATOM 419 CB SER A 27 -11.303 -15.557 -1.503 1.00 0.00 C ATOM 420 OG SER A 27 -11.315 -16.942 -1.805 1.00 0.00 O ATOM 0 H SER A 27 -9.313 -16.037 -0.142 1.00 0.00 H new ATOM 0 HA SER A 27 -9.616 -15.266 -2.803 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.541 -15.409 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.077 -15.049 -2.079 1.00 0.00 H new ATOM 0 HG SER A 27 -12.197 -17.315 -1.596 1.00 0.00 H new ATOM 426 N GLU A 28 -10.001 -12.826 -0.635 1.00 0.00 N ATOM 427 CA GLU A 28 -10.084 -11.377 -0.495 1.00 0.00 C ATOM 428 C GLU A 28 -8.894 -10.852 0.301 1.00 0.00 C ATOM 429 O GLU A 28 -8.442 -11.490 1.251 1.00 0.00 O ATOM 430 CB GLU A 28 -11.393 -10.983 0.194 1.00 0.00 C ATOM 431 CG GLU A 28 -11.448 -9.523 0.614 1.00 0.00 C ATOM 432 CD GLU A 28 -12.631 -9.220 1.513 1.00 0.00 C ATOM 433 OE1 GLU A 28 -13.741 -9.005 0.982 1.00 0.00 O ATOM 434 OE2 GLU A 28 -12.446 -9.198 2.747 1.00 0.00 O ATOM 0 H GLU A 28 -9.909 -13.329 0.248 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.064 -10.932 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.224 -11.189 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.533 -11.610 1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.526 -9.263 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.501 -8.895 -0.275 1.00 0.00 H new ATOM 441 N PHE A 29 -8.388 -9.687 -0.088 1.00 0.00 N ATOM 442 CA PHE A 29 -7.250 -9.089 0.601 1.00 0.00 C ATOM 443 C PHE A 29 -7.718 -8.112 1.671 1.00 0.00 C ATOM 444 O PHE A 29 -8.851 -7.634 1.635 1.00 0.00 O ATOM 445 CB PHE A 29 -6.333 -8.372 -0.393 1.00 0.00 C ATOM 446 CG PHE A 29 -6.132 -9.125 -1.677 1.00 0.00 C ATOM 447 CD1 PHE A 29 -6.315 -10.498 -1.725 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.756 -8.462 -2.834 1.00 0.00 C ATOM 449 CE1 PHE A 29 -6.129 -11.195 -2.902 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.568 -9.153 -4.016 1.00 0.00 C ATOM 451 CZ PHE A 29 -5.755 -10.522 -4.050 1.00 0.00 C ATOM 0 H PHE A 29 -8.745 -9.141 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.690 -9.891 1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.752 -7.391 -0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.363 -8.204 0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.607 -11.029 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.608 -7.392 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.276 -12.265 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.276 -8.624 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.609 -11.065 -4.972 1.00 0.00 H new ATOM 461 N ASP A 30 -6.838 -7.822 2.620 1.00 0.00 N ATOM 462 CA ASP A 30 -7.159 -6.902 3.701 1.00 0.00 C ATOM 463 C ASP A 30 -6.310 -5.641 3.604 1.00 0.00 C ATOM 464 O ASP A 30 -5.095 -5.681 3.799 1.00 0.00 O ATOM 465 CB ASP A 30 -6.939 -7.579 5.056 1.00 0.00 C ATOM 466 CG ASP A 30 -7.854 -8.770 5.261 1.00 0.00 C ATOM 467 OD1 ASP A 30 -9.028 -8.696 4.839 1.00 0.00 O ATOM 468 OD2 ASP A 30 -7.398 -9.777 5.844 1.00 0.00 O ATOM 0 H ASP A 30 -5.896 -8.211 2.662 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.208 -6.621 3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.901 -7.904 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.106 -6.854 5.853 1.00 0.00 H new ATOM 473 N VAL A 31 -6.956 -4.520 3.303 1.00 0.00 N ATOM 474 CA VAL A 31 -6.257 -3.248 3.184 1.00 0.00 C ATOM 475 C VAL A 31 -6.667 -2.297 4.300 1.00 0.00 C ATOM 476 O VAL A 31 -7.821 -1.872 4.374 1.00 0.00 O ATOM 477 CB VAL A 31 -6.530 -2.578 1.826 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.572 -1.418 1.603 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.423 -3.592 0.698 1.00 0.00 C ATOM 0 H VAL A 31 -7.961 -4.467 3.137 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.191 -3.463 3.262 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.547 -2.185 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.779 -0.956 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.703 -0.680 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.546 -1.786 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.619 -3.099 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.420 -4.018 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.153 -4.387 0.853 1.00 0.00 H new ATOM 489 N TYR A 32 -5.718 -1.969 5.168 1.00 0.00 N ATOM 490 CA TYR A 32 -5.984 -1.071 6.284 1.00 0.00 C ATOM 491 C TYR A 32 -5.114 0.178 6.212 1.00 0.00 C ATOM 492 O TYR A 32 -3.897 0.109 6.375 1.00 0.00 O ATOM 493 CB TYR A 32 -5.742 -1.790 7.612 1.00 0.00 C ATOM 494 CG TYR A 32 -6.631 -2.992 7.825 1.00 0.00 C ATOM 495 CD1 TYR A 32 -7.893 -3.058 7.249 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.209 -4.060 8.605 1.00 0.00 C ATOM 497 CE1 TYR A 32 -8.710 -4.155 7.444 1.00 0.00 C ATOM 498 CE2 TYR A 32 -7.019 -5.161 8.804 1.00 0.00 C ATOM 499 CZ TYR A 32 -8.267 -5.204 8.222 1.00 0.00 C ATOM 500 OH TYR A 32 -9.077 -6.299 8.418 1.00 0.00 O ATOM 0 H TYR A 32 -4.758 -2.311 5.120 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.028 -0.765 6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.700 -2.107 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.897 -1.086 8.429 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.242 -2.238 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.232 -4.030 9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -9.689 -4.191 6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.676 -5.984 9.413 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.616 -6.949 8.989 1.00 0.00 H new ATOM 510 N PHE A 33 -5.749 1.324 5.988 1.00 0.00 N ATOM 511 CA PHE A 33 -5.034 2.590 5.920 1.00 0.00 C ATOM 512 C PHE A 33 -5.525 3.526 7.018 1.00 0.00 C ATOM 513 O PHE A 33 -6.674 3.965 7.007 1.00 0.00 O ATOM 514 CB PHE A 33 -5.200 3.236 4.541 1.00 0.00 C ATOM 515 CG PHE A 33 -6.609 3.643 4.221 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.583 2.690 3.970 1.00 0.00 C ATOM 517 CD2 PHE A 33 -6.957 4.983 4.161 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.878 3.066 3.667 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.250 5.366 3.860 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.212 4.406 3.612 1.00 0.00 C ATOM 0 H PHE A 33 -6.757 1.400 5.851 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.972 2.399 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.557 4.115 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.853 2.537 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.327 1.642 4.012 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.208 5.737 4.352 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.628 2.314 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.508 6.414 3.819 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.223 4.702 3.376 1.00 0.00 H new ATOM 530 N GLU A 34 -4.647 3.815 7.975 1.00 0.00 N ATOM 531 CA GLU A 34 -4.997 4.683 9.092 1.00 0.00 C ATOM 532 C GLU A 34 -3.863 5.655 9.418 1.00 0.00 C ATOM 533 O GLU A 34 -2.799 5.253 9.889 1.00 0.00 O ATOM 534 CB GLU A 34 -5.347 3.832 10.322 1.00 0.00 C ATOM 535 CG GLU A 34 -4.980 4.474 11.651 1.00 0.00 C ATOM 536 CD GLU A 34 -5.984 4.172 12.745 1.00 0.00 C ATOM 537 OE1 GLU A 34 -6.605 3.088 12.700 1.00 0.00 O ATOM 538 OE2 GLU A 34 -6.152 5.018 13.649 1.00 0.00 O ATOM 0 H GLU A 34 -3.691 3.461 7.998 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.866 5.275 8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.417 3.626 10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.837 2.872 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.996 4.122 11.960 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.906 5.554 11.520 1.00 0.00 H new ATOM 545 N GLY A 35 -4.111 6.938 9.177 1.00 0.00 N ATOM 546 CA GLY A 35 -3.120 7.958 9.461 1.00 0.00 C ATOM 547 C GLY A 35 -1.697 7.514 9.174 1.00 0.00 C ATOM 548 O GLY A 35 -0.940 7.202 10.093 1.00 0.00 O ATOM 0 H GLY A 35 -4.986 7.290 8.788 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.342 8.845 8.868 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.198 8.248 10.509 1.00 0.00 H new ATOM 552 N SER A 36 -1.328 7.505 7.898 1.00 0.00 N ATOM 553 CA SER A 36 0.020 7.117 7.489 1.00 0.00 C ATOM 554 C SER A 36 0.303 5.641 7.766 1.00 0.00 C ATOM 555 O SER A 36 1.419 5.170 7.548 1.00 0.00 O ATOM 556 CB SER A 36 1.057 7.985 8.203 1.00 0.00 C ATOM 557 OG SER A 36 0.435 8.933 9.054 1.00 0.00 O ATOM 0 H SER A 36 -1.944 7.762 7.126 1.00 0.00 H new ATOM 0 HA SER A 36 0.089 7.271 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.725 7.352 8.787 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.671 8.502 7.466 1.00 0.00 H new ATOM 0 HG SER A 36 0.711 9.837 8.794 1.00 0.00 H new ATOM 563 N ASP A 37 -0.700 4.911 8.241 1.00 0.00 N ATOM 564 CA ASP A 37 -0.527 3.492 8.533 1.00 0.00 C ATOM 565 C ASP A 37 -1.150 2.637 7.437 1.00 0.00 C ATOM 566 O ASP A 37 -2.369 2.499 7.365 1.00 0.00 O ATOM 567 CB ASP A 37 -1.149 3.140 9.884 1.00 0.00 C ATOM 568 CG ASP A 37 -0.660 4.040 11.002 1.00 0.00 C ATOM 569 OD1 ASP A 37 0.159 4.941 10.724 1.00 0.00 O ATOM 570 OD2 ASP A 37 -1.095 3.843 12.156 1.00 0.00 O ATOM 0 H ASP A 37 -1.634 5.274 8.431 1.00 0.00 H new ATOM 0 HA ASP A 37 0.542 3.285 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.234 3.214 9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.916 2.104 10.128 1.00 0.00 H new ATOM 575 N PHE A 38 -0.305 2.069 6.583 1.00 0.00 N ATOM 576 CA PHE A 38 -0.781 1.230 5.488 1.00 0.00 C ATOM 577 C PHE A 38 -0.410 -0.232 5.705 1.00 0.00 C ATOM 578 O PHE A 38 0.767 -0.590 5.727 1.00 0.00 O ATOM 579 CB PHE A 38 -0.213 1.715 4.153 1.00 0.00 C ATOM 580 CG PHE A 38 -0.594 0.839 2.993 1.00 0.00 C ATOM 581 CD1 PHE A 38 -1.838 0.958 2.396 1.00 0.00 C ATOM 582 CD2 PHE A 38 0.293 -0.108 2.502 1.00 0.00 C ATOM 583 CE1 PHE A 38 -2.192 0.150 1.331 1.00 0.00 C ATOM 584 CE2 PHE A 38 -0.055 -0.917 1.437 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.298 -0.788 0.850 1.00 0.00 C ATOM 0 H PHE A 38 0.709 2.173 6.627 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.868 1.308 5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.563 2.730 3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.874 1.761 4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.540 1.690 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.267 -0.214 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.166 0.252 0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.645 -1.650 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.571 -1.419 0.017 1.00 0.00 H new ATOM 595 N LYS A 39 -1.427 -1.073 5.858 1.00 0.00 N ATOM 596 CA LYS A 39 -1.220 -2.499 6.063 1.00 0.00 C ATOM 597 C LYS A 39 -1.913 -3.297 4.962 1.00 0.00 C ATOM 598 O LYS A 39 -3.074 -3.048 4.640 1.00 0.00 O ATOM 599 CB LYS A 39 -1.746 -2.917 7.438 1.00 0.00 C ATOM 600 CG LYS A 39 -1.759 -1.780 8.448 1.00 0.00 C ATOM 601 CD LYS A 39 -1.340 -2.254 9.832 1.00 0.00 C ATOM 602 CE LYS A 39 -1.122 -1.084 10.778 1.00 0.00 C ATOM 603 NZ LYS A 39 -2.275 -0.892 11.702 1.00 0.00 N ATOM 0 H LYS A 39 -2.406 -0.789 5.844 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.151 -2.708 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.757 -3.308 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.130 -3.729 7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.087 -0.989 8.115 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.759 -1.349 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.105 -2.915 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.423 -2.838 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.215 -1.252 11.359 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.966 -0.174 10.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.086 -0.085 12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.136 -0.706 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.409 -1.751 12.273 1.00 0.00 H new ATOM 617 N PHE A 40 -1.188 -4.244 4.376 1.00 0.00 N ATOM 618 CA PHE A 40 -1.731 -5.062 3.296 1.00 0.00 C ATOM 619 C PHE A 40 -1.536 -6.548 3.574 1.00 0.00 C ATOM 620 O PHE A 40 -0.410 -7.044 3.572 1.00 0.00 O ATOM 621 CB PHE A 40 -1.055 -4.694 1.974 1.00 0.00 C ATOM 622 CG PHE A 40 -1.435 -5.590 0.830 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.651 -5.437 0.185 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.572 -6.586 0.398 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.001 -6.260 -0.869 1.00 0.00 C ATOM 626 CE2 PHE A 40 -0.917 -7.412 -0.655 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.132 -7.249 -1.290 1.00 0.00 C ATOM 0 H PHE A 40 -0.225 -4.464 4.630 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.801 -4.864 3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.312 -3.666 1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.026 -4.729 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.334 -4.666 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.380 -6.718 0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -3.953 -6.130 -1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.236 -8.185 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.403 -7.893 -2.114 1.00 0.00 H new ATOM 637 N TYR A 41 -2.637 -7.257 3.810 1.00 0.00 N ATOM 638 CA TYR A 41 -2.576 -8.687 4.085 1.00 0.00 C ATOM 639 C TYR A 41 -3.295 -9.481 2.999 1.00 0.00 C ATOM 640 O TYR A 41 -4.496 -9.314 2.784 1.00 0.00 O ATOM 641 CB TYR A 41 -3.189 -8.991 5.453 1.00 0.00 C ATOM 642 CG TYR A 41 -3.058 -7.852 6.439 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.857 -7.166 6.580 1.00 0.00 C ATOM 644 CD2 TYR A 41 -4.133 -7.462 7.229 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.732 -6.125 7.481 1.00 0.00 C ATOM 646 CE2 TYR A 41 -4.014 -6.422 8.131 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.813 -5.757 8.253 1.00 0.00 C ATOM 648 OH TYR A 41 -2.693 -4.721 9.150 1.00 0.00 O ATOM 0 H TYR A 41 -3.579 -6.865 3.816 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.528 -8.987 4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.245 -9.230 5.324 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.710 -9.878 5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.008 -7.451 5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.076 -7.980 7.136 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.792 -5.603 7.580 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.859 -6.131 8.738 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.116 -4.996 9.893 1.00 0.00 H new ATOM 658 N ALA A 42 -2.553 -10.348 2.321 1.00 0.00 N ATOM 659 CA ALA A 42 -3.115 -11.175 1.261 1.00 0.00 C ATOM 660 C ALA A 42 -2.658 -12.619 1.413 1.00 0.00 C ATOM 661 O ALA A 42 -2.520 -13.329 0.421 1.00 0.00 O ATOM 662 CB ALA A 42 -2.723 -10.642 -0.109 1.00 0.00 C ATOM 0 H ALA A 42 -1.558 -10.497 2.487 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.201 -11.140 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.155 -11.276 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.096 -9.624 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.637 -10.643 -0.203 1.00 0.00 H new ATOM 668 N LYS A 43 -2.411 -13.007 2.673 1.00 0.00 N ATOM 669 CA LYS A 43 -1.936 -14.348 3.054 1.00 0.00 C ATOM 670 C LYS A 43 -0.614 -14.198 3.821 1.00 0.00 C ATOM 671 O LYS A 43 -0.300 -13.094 4.267 1.00 0.00 O ATOM 672 CB LYS A 43 -1.783 -15.265 1.830 1.00 0.00 C ATOM 673 CG LYS A 43 -0.508 -15.022 1.032 1.00 0.00 C ATOM 674 CD LYS A 43 -0.222 -16.169 0.080 1.00 0.00 C ATOM 675 CE LYS A 43 1.269 -16.343 -0.149 1.00 0.00 C ATOM 676 NZ LYS A 43 1.853 -17.363 0.766 1.00 0.00 N ATOM 0 H LYS A 43 -2.538 -12.386 3.472 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.675 -14.825 3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.800 -16.303 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.642 -15.126 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.602 -14.094 0.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.332 -14.896 1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.639 -17.091 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.719 -15.985 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.446 -16.638 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.774 -15.389 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.471 -18.001 0.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.409 -16.888 1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.088 -17.913 1.207 1.00 0.00 H new ATOM 690 N PRO A 44 0.195 -15.268 4.011 1.00 0.00 N ATOM 691 CA PRO A 44 1.457 -15.148 4.744 1.00 0.00 C ATOM 692 C PRO A 44 2.176 -13.829 4.466 1.00 0.00 C ATOM 693 O PRO A 44 2.932 -13.336 5.304 1.00 0.00 O ATOM 694 CB PRO A 44 2.251 -16.340 4.223 1.00 0.00 C ATOM 695 CG PRO A 44 1.212 -17.388 4.020 1.00 0.00 C ATOM 696 CD PRO A 44 -0.025 -16.659 3.553 1.00 0.00 C ATOM 0 HA PRO A 44 1.320 -15.147 5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.768 -16.102 3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.010 -16.660 4.937 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.536 -18.121 3.281 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.019 -17.931 4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.136 -16.711 2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.929 -17.085 3.987 1.00 0.00 H new ATOM 704 N TYR A 45 1.928 -13.256 3.292 1.00 0.00 N ATOM 705 CA TYR A 45 2.540 -11.988 2.913 1.00 0.00 C ATOM 706 C TYR A 45 1.909 -10.828 3.678 1.00 0.00 C ATOM 707 O TYR A 45 0.695 -10.635 3.638 1.00 0.00 O ATOM 708 CB TYR A 45 2.384 -11.756 1.410 1.00 0.00 C ATOM 709 CG TYR A 45 3.184 -12.722 0.561 1.00 0.00 C ATOM 710 CD1 TYR A 45 4.437 -13.160 0.970 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.684 -13.197 -0.646 1.00 0.00 C ATOM 712 CE1 TYR A 45 5.171 -14.042 0.200 1.00 0.00 C ATOM 713 CE2 TYR A 45 3.414 -14.081 -1.421 1.00 0.00 C ATOM 714 CZ TYR A 45 4.656 -14.499 -0.993 1.00 0.00 C ATOM 715 OH TYR A 45 5.384 -15.377 -1.761 1.00 0.00 O ATOM 0 H TYR A 45 1.306 -13.651 2.586 1.00 0.00 H new ATOM 0 HA TYR A 45 3.600 -12.036 3.164 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.330 -11.840 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.692 -10.737 1.174 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.844 -12.805 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.711 -12.871 -0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.144 -14.372 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.013 -14.442 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 45 4.790 -16.071 -2.117 1.00 0.00 H new ATOM 725 N PHE A 46 2.741 -10.057 4.371 1.00 0.00 N ATOM 726 CA PHE A 46 2.261 -8.914 5.139 1.00 0.00 C ATOM 727 C PHE A 46 3.026 -7.651 4.760 1.00 0.00 C ATOM 728 O PHE A 46 4.253 -7.612 4.842 1.00 0.00 O ATOM 729 CB PHE A 46 2.407 -9.179 6.639 1.00 0.00 C ATOM 730 CG PHE A 46 1.147 -9.673 7.291 1.00 0.00 C ATOM 731 CD1 PHE A 46 0.370 -10.645 6.680 1.00 0.00 C ATOM 732 CD2 PHE A 46 0.741 -9.169 8.517 1.00 0.00 C ATOM 733 CE1 PHE A 46 -0.788 -11.104 7.280 1.00 0.00 C ATOM 734 CE2 PHE A 46 -0.416 -9.624 9.120 1.00 0.00 C ATOM 735 CZ PHE A 46 -1.181 -10.592 8.501 1.00 0.00 C ATOM 0 H PHE A 46 3.750 -10.203 4.416 1.00 0.00 H new ATOM 0 HA PHE A 46 1.206 -8.768 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.198 -9.913 6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.724 -8.260 7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.673 -11.048 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.336 -8.412 9.006 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.385 -11.862 6.794 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.722 -9.223 10.075 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.086 -10.949 8.971 1.00 0.00 H new ATOM 745 N LEU A 47 2.294 -6.620 4.350 1.00 0.00 N ATOM 746 CA LEU A 47 2.911 -5.357 3.964 1.00 0.00 C ATOM 747 C LEU A 47 2.540 -4.243 4.938 1.00 0.00 C ATOM 748 O LEU A 47 1.399 -3.781 4.963 1.00 0.00 O ATOM 749 CB LEU A 47 2.490 -4.968 2.546 1.00 0.00 C ATOM 750 CG LEU A 47 3.633 -4.880 1.532 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.155 -4.240 0.240 1.00 0.00 C ATOM 752 CD2 LEU A 47 4.802 -4.099 2.115 1.00 0.00 C ATOM 0 H LEU A 47 1.277 -6.634 4.277 1.00 0.00 H new ATOM 0 HA LEU A 47 3.992 -5.493 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.762 -5.695 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.984 -4.003 2.585 1.00 0.00 H new ATOM 0 HG LEU A 47 3.971 -5.891 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.982 -4.187 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.351 -4.839 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.788 -3.234 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.606 -4.046 1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.475 -3.091 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.163 -4.600 3.013 1.00 0.00 H new ATOM 764 N ARG A 48 3.514 -3.809 5.730 1.00 0.00 N ATOM 765 CA ARG A 48 3.300 -2.740 6.698 1.00 0.00 C ATOM 766 C ARG A 48 4.228 -1.571 6.402 1.00 0.00 C ATOM 767 O ARG A 48 5.447 -1.685 6.537 1.00 0.00 O ATOM 768 CB ARG A 48 3.534 -3.248 8.123 1.00 0.00 C ATOM 769 CG ARG A 48 3.338 -2.181 9.190 1.00 0.00 C ATOM 770 CD ARG A 48 4.547 -2.078 10.105 1.00 0.00 C ATOM 771 NE ARG A 48 4.235 -2.481 11.474 1.00 0.00 N ATOM 772 CZ ARG A 48 5.063 -2.310 12.500 1.00 0.00 C ATOM 773 NH1 ARG A 48 6.235 -1.717 12.317 1.00 0.00 N ATOM 774 NH2 ARG A 48 4.716 -2.724 13.710 1.00 0.00 N ATOM 0 H ARG A 48 4.463 -4.183 5.720 1.00 0.00 H new ATOM 0 HA ARG A 48 2.267 -2.403 6.616 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.854 -4.077 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.547 -3.642 8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.158 -1.217 8.713 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.452 -2.415 9.781 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.350 -2.705 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.915 -1.052 10.104 1.00 0.00 H new ATOM 0 HE ARG A 48 3.331 -2.918 11.653 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.502 -1.391 11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.869 -1.587 13.105 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.813 -3.175 13.855 1.00 0.00 H new ATOM 0 HH22 ARG A 48 5.352 -2.592 14.496 1.00 0.00 H new ATOM 788 N LEU A 49 3.652 -0.450 5.986 1.00 0.00 N ATOM 789 CA LEU A 49 4.443 0.728 5.658 1.00 0.00 C ATOM 790 C LEU A 49 3.873 1.985 6.304 1.00 0.00 C ATOM 791 O LEU A 49 2.662 2.207 6.302 1.00 0.00 O ATOM 792 CB LEU A 49 4.511 0.904 4.141 1.00 0.00 C ATOM 793 CG LEU A 49 4.923 -0.350 3.368 1.00 0.00 C ATOM 794 CD1 LEU A 49 4.777 -0.133 1.871 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.351 -0.744 3.717 1.00 0.00 C ATOM 0 H LEU A 49 2.646 -0.332 5.868 1.00 0.00 H new ATOM 0 HA LEU A 49 5.448 0.577 6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.534 1.230 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.217 1.703 3.913 1.00 0.00 H new ATOM 0 HG LEU A 49 4.260 -1.165 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.076 -1.038 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.738 0.099 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.413 0.696 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.629 -1.638 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.027 0.071 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.422 -0.947 4.786 1.00 0.00 H new ATOM 807 N THR A 50 4.763 2.810 6.850 1.00 0.00 N ATOM 808 CA THR A 50 4.364 4.054 7.494 1.00 0.00 C ATOM 809 C THR A 50 4.636 5.244 6.580 1.00 0.00 C ATOM 810 O THR A 50 5.788 5.584 6.315 1.00 0.00 O ATOM 811 CB THR A 50 5.110 4.266 8.825 1.00 0.00 C ATOM 812 OG1 THR A 50 4.921 3.159 9.716 1.00 0.00 O ATOM 813 CG2 THR A 50 4.629 5.530 9.520 1.00 0.00 C ATOM 0 H THR A 50 5.768 2.637 6.858 1.00 0.00 H new ATOM 0 HA THR A 50 3.295 3.981 7.696 1.00 0.00 H new ATOM 0 HB THR A 50 6.169 4.355 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.408 3.324 10.550 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.170 5.658 10.457 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.810 6.391 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.562 5.449 9.726 1.00 0.00 H new ATOM 821 N LEU A 51 3.570 5.868 6.097 1.00 0.00 N ATOM 822 CA LEU A 51 3.696 7.015 5.206 1.00 0.00 C ATOM 823 C LEU A 51 4.215 8.239 5.954 1.00 0.00 C ATOM 824 O LEU A 51 3.917 8.432 7.133 1.00 0.00 O ATOM 825 CB LEU A 51 2.349 7.324 4.552 1.00 0.00 C ATOM 826 CG LEU A 51 1.599 6.100 4.026 1.00 0.00 C ATOM 827 CD1 LEU A 51 0.331 6.516 3.299 1.00 0.00 C ATOM 828 CD2 LEU A 51 2.497 5.283 3.109 1.00 0.00 C ATOM 0 H LEU A 51 2.608 5.600 6.307 1.00 0.00 H new ATOM 0 HA LEU A 51 4.419 6.764 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.717 7.836 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.512 8.016 3.726 1.00 0.00 H new ATOM 0 HG LEU A 51 1.315 5.480 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.186 5.629 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.320 7.059 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.588 7.159 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.949 4.415 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.810 5.897 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.376 4.951 3.662 1.00 0.00 H new ATOM 840 N PRO A 52 5.008 9.080 5.272 1.00 0.00 N ATOM 841 CA PRO A 52 5.581 10.293 5.866 1.00 0.00 C ATOM 842 C PRO A 52 4.515 11.303 6.276 1.00 0.00 C ATOM 843 O PRO A 52 4.771 12.196 7.084 1.00 0.00 O ATOM 844 CB PRO A 52 6.455 10.875 4.746 1.00 0.00 C ATOM 845 CG PRO A 52 6.644 9.761 3.772 1.00 0.00 C ATOM 846 CD PRO A 52 5.410 8.914 3.869 1.00 0.00 C ATOM 0 HA PRO A 52 6.130 10.066 6.780 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.972 11.731 4.275 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.412 11.223 5.135 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.775 10.145 2.760 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.535 9.181 4.011 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.633 9.252 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.616 7.871 3.628 1.00 0.00 H new ATOM 854 N GLY A 53 3.321 11.162 5.710 1.00 0.00 N ATOM 855 CA GLY A 53 2.241 12.075 6.029 1.00 0.00 C ATOM 856 C GLY A 53 1.007 11.366 6.551 1.00 0.00 C ATOM 857 O GLY A 53 1.085 10.575 7.491 1.00 0.00 O ATOM 0 H GLY A 53 3.083 10.433 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.585 12.792 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.978 12.644 5.138 1.00 0.00 H new ATOM 861 N ARG A 54 -0.138 11.660 5.942 1.00 0.00 N ATOM 862 CA ARG A 54 -1.402 11.056 6.347 1.00 0.00 C ATOM 863 C ARG A 54 -2.365 10.967 5.167 1.00 0.00 C ATOM 864 O ARG A 54 -2.389 11.845 4.305 1.00 0.00 O ATOM 865 CB ARG A 54 -2.037 11.874 7.476 1.00 0.00 C ATOM 866 CG ARG A 54 -2.213 11.100 8.771 1.00 0.00 C ATOM 867 CD ARG A 54 -1.990 11.990 9.984 1.00 0.00 C ATOM 868 NE ARG A 54 -0.578 12.086 10.340 1.00 0.00 N ATOM 869 CZ ARG A 54 -0.061 13.090 11.041 1.00 0.00 C ATOM 870 NH1 ARG A 54 -0.840 14.071 11.474 1.00 0.00 N ATOM 871 NH2 ARG A 54 1.236 13.110 11.315 1.00 0.00 N ATOM 0 H ARG A 54 -0.216 12.315 5.164 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.199 10.046 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.418 12.751 7.669 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.010 12.237 7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.216 10.675 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.512 10.266 8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.381 12.987 9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.551 11.596 10.831 1.00 0.00 H new ATOM 0 HE ARG A 54 0.047 11.341 10.034 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.839 14.057 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.440 14.840 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.838 12.354 10.988 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.632 13.881 11.853 1.00 0.00 H new ATOM 885 N ILE A 55 -3.167 9.908 5.144 1.00 0.00 N ATOM 886 CA ILE A 55 -4.142 9.712 4.079 1.00 0.00 C ATOM 887 C ILE A 55 -5.556 9.742 4.647 1.00 0.00 C ATOM 888 O ILE A 55 -5.875 8.998 5.573 1.00 0.00 O ATOM 889 CB ILE A 55 -3.908 8.369 3.351 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.586 8.410 2.585 1.00 0.00 C ATOM 891 CG2 ILE A 55 -5.060 8.047 2.407 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.558 9.444 1.481 1.00 0.00 C ATOM 0 H ILE A 55 -3.161 9.173 5.851 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.020 10.523 3.361 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.859 7.579 4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.776 8.616 3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.394 7.427 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.868 7.097 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.988 7.978 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.150 8.836 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.590 9.416 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.346 9.227 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.718 10.435 1.906 1.00 0.00 H new ATOM 904 N VAL A 56 -6.396 10.619 4.104 1.00 0.00 N ATOM 905 CA VAL A 56 -7.769 10.751 4.584 1.00 0.00 C ATOM 906 C VAL A 56 -8.508 9.423 4.538 1.00 0.00 C ATOM 907 O VAL A 56 -8.204 8.555 3.721 1.00 0.00 O ATOM 908 CB VAL A 56 -8.557 11.799 3.775 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.828 11.298 2.367 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.856 12.152 4.483 1.00 0.00 C ATOM 0 H VAL A 56 -6.153 11.245 3.336 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.702 11.083 5.620 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.952 12.703 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.385 12.053 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.882 11.102 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.411 10.378 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.400 12.893 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.467 11.256 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.634 12.560 5.469 1.00 0.00 H new ATOM 920 N GLU A 57 -9.479 9.272 5.432 1.00 0.00 N ATOM 921 CA GLU A 57 -10.264 8.050 5.508 1.00 0.00 C ATOM 922 C GLU A 57 -11.751 8.336 5.326 1.00 0.00 C ATOM 923 O GLU A 57 -12.305 9.236 5.958 1.00 0.00 O ATOM 924 CB GLU A 57 -10.022 7.356 6.849 1.00 0.00 C ATOM 925 CG GLU A 57 -10.704 8.037 8.024 1.00 0.00 C ATOM 926 CD GLU A 57 -10.101 7.640 9.358 1.00 0.00 C ATOM 927 OE1 GLU A 57 -9.991 6.425 9.621 1.00 0.00 O ATOM 928 OE2 GLU A 57 -9.738 8.545 10.139 1.00 0.00 O ATOM 0 H GLU A 57 -9.740 9.984 6.115 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.946 7.392 4.699 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.374 6.327 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.949 7.315 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.632 9.118 7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.765 7.785 8.019 1.00 0.00 H new ATOM 935 N ASN A 58 -12.387 7.564 4.453 1.00 0.00 N ATOM 936 CA ASN A 58 -13.810 7.724 4.174 1.00 0.00 C ATOM 937 C ASN A 58 -14.337 6.531 3.382 1.00 0.00 C ATOM 938 O ASN A 58 -15.461 6.075 3.595 1.00 0.00 O ATOM 939 CB ASN A 58 -14.056 9.018 3.395 1.00 0.00 C ATOM 940 CG ASN A 58 -15.113 9.893 4.039 1.00 0.00 C ATOM 941 OD1 ASN A 58 -16.245 9.463 4.256 1.00 0.00 O ATOM 942 ND2 ASN A 58 -14.747 11.133 4.347 1.00 0.00 N ATOM 0 H ASN A 58 -11.937 6.817 3.923 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.343 7.776 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.123 9.576 3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.362 8.773 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.416 11.769 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.797 11.448 4.149 1.00 0.00 H new ATOM 949 N GLY A 59 -13.514 6.033 2.466 1.00 0.00 N ATOM 950 CA GLY A 59 -13.904 4.899 1.649 1.00 0.00 C ATOM 951 C GLY A 59 -14.084 5.272 0.192 1.00 0.00 C ATOM 952 O GLY A 59 -14.593 4.482 -0.602 1.00 0.00 O ATOM 0 H GLY A 59 -12.580 6.396 2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.148 4.119 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.835 4.482 2.032 1.00 0.00 H new ATOM 956 N SER A 60 -13.661 6.482 -0.157 1.00 0.00 N ATOM 957 CA SER A 60 -13.774 6.963 -1.527 1.00 0.00 C ATOM 958 C SER A 60 -12.460 6.778 -2.278 1.00 0.00 C ATOM 959 O SER A 60 -12.138 7.553 -3.179 1.00 0.00 O ATOM 960 CB SER A 60 -14.177 8.439 -1.540 1.00 0.00 C ATOM 961 OG SER A 60 -15.563 8.593 -1.291 1.00 0.00 O ATOM 0 H SER A 60 -13.237 7.147 0.490 1.00 0.00 H new ATOM 0 HA SER A 60 -14.545 6.378 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.607 8.981 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.927 8.879 -2.506 1.00 0.00 H new ATOM 0 HG SER A 60 -15.794 9.545 -1.303 1.00 0.00 H new ATOM 967 N GLU A 61 -11.701 5.751 -1.907 1.00 0.00 N ATOM 968 CA GLU A 61 -10.425 5.478 -2.557 1.00 0.00 C ATOM 969 C GLU A 61 -10.641 4.775 -3.892 1.00 0.00 C ATOM 970 O GLU A 61 -11.767 4.689 -4.384 1.00 0.00 O ATOM 971 CB GLU A 61 -9.520 4.640 -1.639 1.00 0.00 C ATOM 972 CG GLU A 61 -9.705 3.132 -1.763 1.00 0.00 C ATOM 973 CD GLU A 61 -10.707 2.582 -0.766 1.00 0.00 C ATOM 974 OE1 GLU A 61 -11.921 2.783 -0.971 1.00 0.00 O ATOM 975 OE2 GLU A 61 -10.274 1.948 0.220 1.00 0.00 O ATOM 0 H GLU A 61 -11.946 5.097 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.928 6.428 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.480 4.883 -1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.706 4.931 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.035 2.892 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.744 2.639 -1.616 1.00 0.00 H new ATOM 982 N GLN A 62 -9.559 4.276 -4.475 1.00 0.00 N ATOM 983 CA GLN A 62 -9.633 3.583 -5.755 1.00 0.00 C ATOM 984 C GLN A 62 -8.820 2.294 -5.719 1.00 0.00 C ATOM 985 O GLN A 62 -7.713 2.261 -5.184 1.00 0.00 O ATOM 986 CB GLN A 62 -9.132 4.492 -6.878 1.00 0.00 C ATOM 987 CG GLN A 62 -10.126 5.574 -7.269 1.00 0.00 C ATOM 988 CD GLN A 62 -10.665 5.391 -8.674 1.00 0.00 C ATOM 989 OE1 GLN A 62 -10.792 6.353 -9.433 1.00 0.00 O ATOM 990 NE2 GLN A 62 -10.986 4.152 -9.026 1.00 0.00 N ATOM 0 H GLN A 62 -8.620 4.338 -4.082 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.675 3.327 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.199 4.962 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.905 3.884 -7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.956 5.572 -6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.645 6.549 -7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.864 3.386 -8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.355 3.966 -9.959 1.00 0.00 H new ATOM 999 N GLY A 63 -9.380 1.230 -6.288 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.692 -0.045 -6.303 1.00 0.00 C ATOM 1001 C GLY A 63 -8.739 -0.729 -7.654 1.00 0.00 C ATOM 1002 O GLY A 63 -9.791 -0.798 -8.292 1.00 0.00 O ATOM 0 H GLY A 63 -10.296 1.230 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.652 0.107 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.138 -0.700 -5.555 1.00 0.00 H new ATOM 1006 N SER A 64 -7.593 -1.242 -8.087 1.00 0.00 N ATOM 1007 CA SER A 64 -7.488 -1.937 -9.364 1.00 0.00 C ATOM 1008 C SER A 64 -6.508 -3.099 -9.248 1.00 0.00 C ATOM 1009 O SER A 64 -5.296 -2.896 -9.196 1.00 0.00 O ATOM 1010 CB SER A 64 -7.033 -0.971 -10.461 1.00 0.00 C ATOM 1011 OG SER A 64 -7.956 0.092 -10.620 1.00 0.00 O ATOM 0 H SER A 64 -6.717 -1.189 -7.567 1.00 0.00 H new ATOM 0 HA SER A 64 -8.470 -2.328 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.051 -0.570 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.928 -1.509 -11.403 1.00 0.00 H new ATOM 0 HG SER A 64 -7.642 0.696 -11.325 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.039 -4.315 -9.190 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.204 -5.503 -9.058 1.00 0.00 C ATOM 1019 C TYR A 65 -6.379 -6.448 -10.244 1.00 0.00 C ATOM 1020 O TYR A 65 -7.492 -6.661 -10.726 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.533 -6.229 -7.747 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.279 -7.722 -7.780 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -5.000 -8.233 -7.594 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -7.319 -8.617 -7.998 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.766 -9.595 -7.622 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -7.092 -9.980 -8.027 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.816 -10.464 -7.839 1.00 0.00 C ATOM 1028 OH TYR A 65 -5.586 -11.821 -7.866 1.00 0.00 O ATOM 0 H TYR A 65 -8.040 -4.504 -9.232 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.162 -5.182 -9.043 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.942 -5.789 -6.944 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.581 -6.056 -7.503 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.176 -7.555 -7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.321 -8.242 -8.147 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.767 -9.977 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.911 -10.663 -8.196 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.430 -12.293 -8.028 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.268 -7.018 -10.698 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.281 -7.953 -11.816 1.00 0.00 C ATOM 1040 C ASP A 66 -4.722 -9.306 -11.381 1.00 0.00 C ATOM 1041 O ASP A 66 -3.645 -9.382 -10.790 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.466 -7.396 -12.985 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.346 -6.900 -14.115 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -5.929 -7.744 -14.827 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -5.454 -5.668 -14.288 1.00 0.00 O ATOM 0 H ASP A 66 -4.342 -6.847 -10.306 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.312 -8.089 -12.143 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.838 -6.578 -12.630 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.798 -8.171 -13.361 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.467 -10.369 -11.664 1.00 0.00 N ATOM 1051 CA ALA A 67 -5.052 -11.715 -11.288 1.00 0.00 C ATOM 1052 C ALA A 67 -4.045 -12.296 -12.278 1.00 0.00 C ATOM 1053 O ALA A 67 -2.980 -12.771 -11.883 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.258 -12.635 -11.168 1.00 0.00 C ATOM 0 H ALA A 67 -6.361 -10.324 -12.153 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.562 -11.642 -10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.927 -13.635 -10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.935 -12.249 -10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.777 -12.681 -12.125 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.391 -12.269 -13.560 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.518 -12.806 -14.600 1.00 0.00 C ATOM 1062 C ASP A 68 -2.123 -12.192 -14.527 1.00 0.00 C ATOM 1063 O ASP A 68 -1.122 -12.879 -14.731 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.122 -12.558 -15.982 1.00 0.00 C ATOM 1065 CG ASP A 68 -3.922 -13.733 -16.920 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -4.214 -14.876 -16.510 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -3.474 -13.509 -18.063 1.00 0.00 O ATOM 0 H ASP A 68 -5.269 -11.881 -13.905 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.427 -13.879 -14.434 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.188 -12.357 -15.879 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.670 -11.667 -16.418 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.062 -10.895 -14.244 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.787 -10.193 -14.155 1.00 0.00 C ATOM 1074 C LYS A 69 -0.302 -10.110 -12.711 1.00 0.00 C ATOM 1075 O LYS A 69 0.883 -9.896 -12.458 1.00 0.00 O ATOM 1076 CB LYS A 69 -0.918 -8.786 -14.740 1.00 0.00 C ATOM 1077 CG LYS A 69 -1.744 -8.733 -16.017 1.00 0.00 C ATOM 1078 CD LYS A 69 -2.461 -7.396 -16.179 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.688 -6.252 -15.537 1.00 0.00 C ATOM 1080 NZ LYS A 69 -2.168 -4.923 -16.007 1.00 0.00 N ATOM 0 H LYS A 69 -2.879 -10.309 -14.073 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.053 -10.757 -14.730 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.373 -8.133 -13.995 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.078 -8.392 -14.944 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.095 -8.903 -16.876 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.478 -9.539 -16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.603 -7.187 -17.239 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.453 -7.460 -15.731 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.787 -6.311 -14.453 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.628 -6.357 -15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.616 -4.172 -15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.050 -4.856 -17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.173 -4.812 -15.765 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.223 -10.277 -11.769 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.863 -10.212 -10.365 1.00 0.00 C ATOM 1096 C GLY A 70 -0.358 -8.839 -9.962 1.00 0.00 C ATOM 1097 O GLY A 70 0.795 -8.688 -9.559 1.00 0.00 O ATOM 0 H GLY A 70 -2.210 -10.456 -11.952 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.731 -10.470 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.094 -10.955 -10.155 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.224 -7.838 -10.074 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.862 -6.470 -9.721 1.00 0.00 C ATOM 1103 C ILE A 71 -2.043 -5.728 -9.105 1.00 0.00 C ATOM 1104 O ILE A 71 -3.078 -5.547 -9.746 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.362 -5.689 -10.953 1.00 0.00 C ATOM 1106 CG1 ILE A 71 0.902 -6.340 -11.518 1.00 0.00 C ATOM 1107 CG2 ILE A 71 -0.098 -4.233 -10.597 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.153 -6.012 -12.973 1.00 0.00 C ATOM 0 H ILE A 71 -2.182 -7.948 -10.407 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.058 -6.533 -8.988 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.139 -5.717 -11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.761 -6.019 -10.928 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.825 -7.421 -11.406 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.254 -3.700 -11.481 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.019 -3.773 -10.239 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.661 -4.181 -9.816 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.065 -6.507 -13.306 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.312 -6.358 -13.574 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.263 -4.934 -13.089 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.879 -5.298 -7.857 1.00 0.00 N ATOM 1121 CA PHE A 72 -2.931 -4.574 -7.155 1.00 0.00 C ATOM 1122 C PHE A 72 -2.516 -3.129 -6.891 1.00 0.00 C ATOM 1123 O PHE A 72 -1.565 -2.870 -6.154 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.268 -5.269 -5.834 1.00 0.00 C ATOM 1125 CG PHE A 72 -4.109 -4.430 -4.916 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -5.153 -3.668 -5.415 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.854 -4.401 -3.556 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.928 -2.894 -4.573 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.626 -3.629 -2.708 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.664 -2.875 -3.218 1.00 0.00 C ATOM 0 H PHE A 72 -1.028 -5.439 -7.313 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.817 -4.569 -7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.793 -6.200 -6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.341 -5.534 -5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.363 -3.679 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.042 -4.988 -3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.739 -2.305 -4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.417 -3.616 -1.648 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.269 -2.271 -2.558 1.00 0.00 H new ATOM 1140 N THR A 73 -3.238 -2.194 -7.498 1.00 0.00 N ATOM 1141 CA THR A 73 -2.953 -0.774 -7.332 1.00 0.00 C ATOM 1142 C THR A 73 -4.146 -0.051 -6.715 1.00 0.00 C ATOM 1143 O THR A 73 -5.276 -0.200 -7.178 1.00 0.00 O ATOM 1144 CB THR A 73 -2.604 -0.117 -8.681 1.00 0.00 C ATOM 1145 OG1 THR A 73 -1.578 -0.847 -9.365 1.00 0.00 O ATOM 1146 CG2 THR A 73 -2.124 1.311 -8.479 1.00 0.00 C ATOM 0 H THR A 73 -4.028 -2.395 -8.112 1.00 0.00 H new ATOM 0 HA THR A 73 -2.096 -0.690 -6.664 1.00 0.00 H new ATOM 0 HB THR A 73 -3.514 -0.121 -9.281 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.378 -0.409 -10.218 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.884 1.754 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.909 1.894 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.235 1.310 -7.849 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.895 0.716 -5.657 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.969 1.435 -4.977 1.00 0.00 C ATOM 1156 C ILE A 74 -4.573 2.858 -4.590 1.00 0.00 C ATOM 1157 O ILE A 74 -3.624 3.067 -3.834 1.00 0.00 O ATOM 1158 CB ILE A 74 -5.413 0.686 -3.705 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -6.446 1.510 -2.933 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -4.211 0.377 -2.824 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.800 0.842 -2.834 1.00 0.00 C ATOM 0 H ILE A 74 -2.968 0.855 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.791 1.489 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.875 -0.256 -4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.069 1.700 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.562 2.479 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.541 -0.152 -1.930 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.507 -0.246 -3.375 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.723 1.308 -2.535 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -8.482 1.482 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.198 0.676 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.697 -0.114 -2.321 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.325 3.834 -5.098 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.073 5.239 -4.789 1.00 0.00 C ATOM 1175 C ARG A 75 -5.786 5.627 -3.500 1.00 0.00 C ATOM 1176 O ARG A 75 -6.875 5.134 -3.209 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.539 6.144 -5.934 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.429 5.505 -7.311 1.00 0.00 C ATOM 1179 CD ARG A 75 -4.765 6.438 -8.315 1.00 0.00 C ATOM 1180 NE ARG A 75 -4.917 7.844 -7.951 1.00 0.00 N ATOM 1181 CZ ARG A 75 -6.068 8.505 -8.022 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -7.162 7.892 -8.453 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -6.126 9.782 -7.667 1.00 0.00 N ATOM 0 H ARG A 75 -6.114 3.676 -5.725 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.999 5.372 -4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.576 6.429 -5.759 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.950 7.061 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.855 4.581 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -6.423 5.235 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.705 6.196 -8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.196 6.272 -9.302 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.093 8.348 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.121 6.911 -8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.044 8.401 -8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.286 10.259 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.010 10.287 -7.722 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.161 6.503 -2.727 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.735 6.942 -1.463 1.00 0.00 C ATOM 1199 C LEU A 76 -5.644 8.456 -1.315 1.00 0.00 C ATOM 1200 O LEU A 76 -4.566 9.035 -1.413 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.014 6.257 -0.303 1.00 0.00 C ATOM 1202 CG LEU A 76 -4.896 4.737 -0.424 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.465 4.289 -0.163 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -5.854 4.051 0.537 1.00 0.00 C ATOM 0 H LEU A 76 -4.259 6.923 -2.952 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.789 6.665 -1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.013 6.679 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.539 6.493 0.622 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.164 4.451 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.401 3.205 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.800 4.754 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.168 4.587 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.757 2.970 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.616 4.344 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.877 4.346 0.304 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.783 9.119 -1.066 1.00 0.00 N ATOM 1217 CA PRO A 77 -6.825 10.574 -0.898 1.00 0.00 C ATOM 1218 C PRO A 77 -6.024 11.031 0.318 1.00 0.00 C ATOM 1219 O PRO A 77 -5.878 10.294 1.295 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.317 10.874 -0.719 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.915 9.587 -0.263 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.111 8.503 -0.922 1.00 0.00 C ATOM 0 HA PRO A 77 -6.381 11.100 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.476 11.665 0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -8.767 11.210 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.873 9.500 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.965 9.522 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.074 7.600 -0.312 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.531 8.218 -1.887 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.509 12.253 0.255 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.722 12.805 1.348 1.00 0.00 C ATOM 1232 C LYS A 78 -5.584 13.671 2.256 1.00 0.00 C ATOM 1233 O LYS A 78 -6.626 14.179 1.840 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.550 13.619 0.797 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.686 12.846 -0.186 1.00 0.00 C ATOM 1236 CD LYS A 78 -1.230 12.821 0.251 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.428 11.805 -0.546 1.00 0.00 C ATOM 1238 NZ LYS A 78 1.030 12.103 -0.520 1.00 0.00 N ATOM 0 H LYS A 78 -5.623 12.880 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.331 11.977 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.937 14.512 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.930 13.956 1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.058 11.825 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.763 13.300 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.794 13.812 0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.171 12.581 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.602 10.808 -0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.778 11.796 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.507 11.570 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.179 13.122 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.425 11.826 0.402 1.00 0.00 H new ATOM 1252 N GLU A 79 -5.139 13.846 3.493 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.866 14.664 4.455 1.00 0.00 C ATOM 1254 C GLU A 79 -5.499 16.136 4.293 1.00 0.00 C ATOM 1255 O GLU A 79 -6.072 17.005 4.948 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.564 14.202 5.882 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.912 15.236 6.941 1.00 0.00 C ATOM 1258 CD GLU A 79 -4.822 16.274 7.123 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -3.658 15.880 7.346 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -5.132 17.481 7.041 1.00 0.00 O ATOM 0 H GLU A 79 -4.279 13.433 3.854 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.933 14.548 4.266 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.119 13.286 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.505 13.957 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.841 15.735 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.091 14.732 7.891 1.00 0.00 H new ATOM 1267 N THR A 80 -4.539 16.409 3.411 1.00 0.00 N ATOM 1268 CA THR A 80 -4.096 17.773 3.161 1.00 0.00 C ATOM 1269 C THR A 80 -3.559 17.921 1.742 1.00 0.00 C ATOM 1270 O THR A 80 -2.565 17.295 1.374 1.00 0.00 O ATOM 1271 CB THR A 80 -3.001 18.202 4.153 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.469 18.138 5.506 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.540 19.622 3.869 1.00 0.00 C ATOM 0 H THR A 80 -4.055 15.701 2.859 1.00 0.00 H new ATOM 0 HA THR A 80 -4.966 18.416 3.292 1.00 0.00 H new ATOM 0 HB THR A 80 -2.169 17.510 4.026 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.449 18.126 5.513 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.766 19.903 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.138 19.679 2.857 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.385 20.304 3.963 1.00 0.00 H new ATOM 1281 N PRO A 81 -4.215 18.757 0.924 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.805 18.992 -0.463 1.00 0.00 C ATOM 1283 C PRO A 81 -2.337 19.390 -0.572 1.00 0.00 C ATOM 1284 O PRO A 81 -1.815 20.106 0.283 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.706 20.144 -0.914 1.00 0.00 C ATOM 1286 CG PRO A 81 -5.902 20.065 -0.028 1.00 0.00 C ATOM 1287 CD PRO A 81 -5.409 19.539 1.292 1.00 0.00 C ATOM 0 HA PRO A 81 -3.904 18.094 -1.073 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.201 21.104 -0.811 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.984 20.041 -1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.364 21.045 0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.659 19.405 -0.452 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.163 20.348 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.159 18.919 1.783 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.678 18.927 -1.630 1.00 0.00 N ATOM 1296 CA GLY A 82 -0.276 19.251 -1.833 1.00 0.00 C ATOM 1297 C GLY A 82 0.655 18.398 -0.992 1.00 0.00 C ATOM 1298 O GLY A 82 1.874 18.563 -1.050 1.00 0.00 O ATOM 0 H GLY A 82 -2.089 18.333 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -0.027 19.121 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -0.113 20.302 -1.594 1.00 0.00 H new ATOM 1302 N GLN A 83 0.087 17.481 -0.216 1.00 0.00 N ATOM 1303 CA GLN A 83 0.885 16.599 0.630 1.00 0.00 C ATOM 1304 C GLN A 83 1.716 15.648 -0.224 1.00 0.00 C ATOM 1305 O GLN A 83 1.176 14.908 -1.047 1.00 0.00 O ATOM 1306 CB GLN A 83 -0.023 15.805 1.572 1.00 0.00 C ATOM 1307 CG GLN A 83 0.655 14.601 2.205 1.00 0.00 C ATOM 1308 CD GLN A 83 1.547 14.981 3.371 1.00 0.00 C ATOM 1309 OE1 GLN A 83 2.635 15.524 3.184 1.00 0.00 O ATOM 1310 NE2 GLN A 83 1.087 14.696 4.584 1.00 0.00 N ATOM 0 H GLN A 83 -0.920 17.329 -0.155 1.00 0.00 H new ATOM 0 HA GLN A 83 1.562 17.211 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.380 16.467 2.362 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.899 15.468 1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -0.105 13.899 2.547 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.249 14.085 1.451 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.179 14.245 4.692 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.642 14.928 5.408 1.00 0.00 H new ATOM 1319 N HIS A 84 3.032 15.685 -0.039 1.00 0.00 N ATOM 1320 CA HIS A 84 3.935 14.835 -0.809 1.00 0.00 C ATOM 1321 C HIS A 84 4.748 13.907 0.091 1.00 0.00 C ATOM 1322 O HIS A 84 5.605 14.359 0.850 1.00 0.00 O ATOM 1323 CB HIS A 84 4.879 15.708 -1.639 1.00 0.00 C ATOM 1324 CG HIS A 84 5.790 14.930 -2.535 1.00 0.00 C ATOM 1325 ND1 HIS A 84 6.366 15.466 -3.667 1.00 0.00 N ATOM 1326 CD2 HIS A 84 6.226 13.650 -2.461 1.00 0.00 C ATOM 1327 CE1 HIS A 84 7.117 14.550 -4.251 1.00 0.00 C ATOM 1328 NE2 HIS A 84 7.050 13.440 -3.540 1.00 0.00 N ATOM 0 H HIS A 84 3.496 16.293 0.636 1.00 0.00 H new ATOM 0 HA HIS A 84 3.328 14.212 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.286 16.393 -2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.481 16.318 -0.965 1.00 0.00 H new ATOM 0 HD2 HIS A 84 5.973 12.930 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 84 7.689 14.686 -5.157 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.532 12.568 -3.757 1.00 0.00 H new ATOM 1337 N PHE A 85 4.483 12.606 -0.010 1.00 0.00 N ATOM 1338 CA PHE A 85 5.197 11.615 0.781 1.00 0.00 C ATOM 1339 C PHE A 85 6.581 11.364 0.191 1.00 0.00 C ATOM 1340 O PHE A 85 6.748 10.504 -0.673 1.00 0.00 O ATOM 1341 CB PHE A 85 4.414 10.304 0.813 1.00 0.00 C ATOM 1342 CG PHE A 85 3.038 10.422 1.405 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.672 11.538 2.139 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.110 9.409 1.222 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.404 11.641 2.681 1.00 0.00 C ATOM 1346 CE2 PHE A 85 0.842 9.506 1.762 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.489 10.624 2.492 1.00 0.00 C ATOM 0 H PHE A 85 3.777 12.216 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 85 5.304 11.997 1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.328 9.920 -0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.981 9.569 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.384 12.336 2.290 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.381 8.534 0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.129 12.516 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.128 8.709 1.614 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.502 10.703 2.915 1.00 0.00 H new ATOM 1357 N GLU A 86 7.566 12.128 0.647 1.00 0.00 N ATOM 1358 CA GLU A 86 8.929 11.996 0.145 1.00 0.00 C ATOM 1359 C GLU A 86 9.590 10.703 0.617 1.00 0.00 C ATOM 1360 O GLU A 86 9.060 9.987 1.467 1.00 0.00 O ATOM 1361 CB GLU A 86 9.769 13.197 0.580 1.00 0.00 C ATOM 1362 CG GLU A 86 10.257 14.047 -0.581 1.00 0.00 C ATOM 1363 CD GLU A 86 11.576 14.733 -0.288 1.00 0.00 C ATOM 1364 OE1 GLU A 86 12.428 14.119 0.387 1.00 0.00 O ATOM 1365 OE2 GLU A 86 11.757 15.885 -0.735 1.00 0.00 O ATOM 0 H GLU A 86 7.447 12.845 1.363 1.00 0.00 H new ATOM 0 HA GLU A 86 8.874 11.962 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.178 13.819 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.629 12.842 1.147 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.367 13.419 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.505 14.800 -0.816 1.00 0.00 H new ATOM 1372 N GLY A 87 10.764 10.425 0.056 1.00 0.00 N ATOM 1373 CA GLY A 87 11.519 9.236 0.411 1.00 0.00 C ATOM 1374 C GLY A 87 10.652 8.021 0.684 1.00 0.00 C ATOM 1375 O GLY A 87 10.916 7.268 1.622 1.00 0.00 O ATOM 0 H GLY A 87 11.211 11.012 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.212 9.002 -0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.120 9.449 1.295 1.00 0.00 H new ATOM 1379 N LEU A 88 9.617 7.821 -0.126 1.00 0.00 N ATOM 1380 CA LEU A 88 8.728 6.677 0.057 1.00 0.00 C ATOM 1381 C LEU A 88 9.493 5.365 -0.075 1.00 0.00 C ATOM 1382 O LEU A 88 9.576 4.592 0.879 1.00 0.00 O ATOM 1383 CB LEU A 88 7.592 6.714 -0.960 1.00 0.00 C ATOM 1384 CG LEU A 88 6.310 7.394 -0.480 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.354 7.616 -1.643 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.644 6.563 0.608 1.00 0.00 C ATOM 0 H LEU A 88 9.374 8.429 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 88 8.310 6.738 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.944 7.228 -1.855 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.354 5.691 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 88 6.571 8.366 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.447 8.101 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.831 8.250 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.098 6.656 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.733 7.061 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.396 5.578 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.326 6.455 1.452 1.00 0.00 H new ATOM 1398 N ASN A 89 10.055 5.112 -1.258 1.00 0.00 N ATOM 1399 CA ASN A 89 10.812 3.886 -1.489 1.00 0.00 C ATOM 1400 C ASN A 89 12.262 4.058 -1.051 1.00 0.00 C ATOM 1401 O ASN A 89 13.115 3.218 -1.341 1.00 0.00 O ATOM 1402 CB ASN A 89 10.752 3.488 -2.964 1.00 0.00 C ATOM 1403 CG ASN A 89 11.692 4.307 -3.824 1.00 0.00 C ATOM 1404 OD1 ASN A 89 12.045 5.436 -3.478 1.00 0.00 O ATOM 1405 ND2 ASN A 89 12.104 3.743 -4.953 1.00 0.00 N ATOM 0 H ASN A 89 10.000 5.735 -2.063 1.00 0.00 H new ATOM 0 HA ASN A 89 10.361 3.092 -0.894 1.00 0.00 H new ATOM 0 HB2 ASN A 89 11.002 2.432 -3.062 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.732 3.610 -3.329 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.738 4.247 -5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.786 2.806 -5.200 1.00 0.00 H new