USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 643 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 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.821 K(o=-0.82,f=-0.09) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.416 (180deg=-1.77!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 20:sc= 0.0768 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0708 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 67 THR OG1 : rot -29:sc= 0.0257 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0393 USER MOD Single : A 72 TYR OH : rot 167:sc= 0.525 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -134:sc= -1.82! (180deg=-2.39!) USER MOD Single : A 80 TYR OH : rot -21:sc= 0.666 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -179:sc= -4.16! (180deg=-4.2!) USER MOD Single : A 85 LYS NZ :NH3+ -128:sc= -0.331 (180deg=-2.97!) USER MOD Single : A 93 HIS : no HD1:sc= -0.766 K(o=-0.77,f=-1.6) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.197 16.297 5.795 1.00 0.00 N ATOM 81 CA PHE A 9 11.481 15.041 5.606 1.00 0.00 C ATOM 82 C PHE A 9 10.106 15.094 6.267 1.00 0.00 C ATOM 83 O PHE A 9 9.962 15.587 7.386 1.00 0.00 O ATOM 84 CB PHE A 9 12.290 13.876 6.180 1.00 0.00 C ATOM 85 CG PHE A 9 11.441 12.732 6.655 1.00 0.00 C ATOM 86 CD1 PHE A 9 11.092 11.706 5.792 1.00 0.00 C ATOM 87 CD2 PHE A 9 10.990 12.683 7.964 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.311 10.651 6.226 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.209 11.631 8.404 1.00 0.00 C ATOM 90 CZ PHE A 9 9.868 10.615 7.533 1.00 0.00 C ATOM 0 HA PHE A 9 11.345 14.887 4.536 1.00 0.00 H new ATOM 0 HB2 PHE A 9 12.980 13.514 5.418 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.894 14.239 7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.434 11.731 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.252 13.476 8.649 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.048 9.856 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.866 11.604 9.428 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.256 9.793 7.874 1.00 0.00 H new ATOM 100 N ASP A 10 9.100 14.583 5.566 1.00 0.00 N ATOM 101 CA ASP A 10 7.736 14.572 6.083 1.00 0.00 C ATOM 102 C ASP A 10 6.893 13.520 5.369 1.00 0.00 C ATOM 103 O ASP A 10 6.620 13.616 4.173 1.00 0.00 O ATOM 104 CB ASP A 10 7.096 15.951 5.924 1.00 0.00 C ATOM 105 CG ASP A 10 7.548 16.927 6.993 1.00 0.00 C ATOM 106 OD1 ASP A 10 7.621 16.523 8.173 1.00 0.00 O ATOM 107 OD2 ASP A 10 7.830 18.094 6.650 1.00 0.00 O ATOM 0 H ASP A 10 9.203 14.171 4.639 1.00 0.00 H new ATOM 0 HA ASP A 10 7.777 14.320 7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.344 16.352 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.011 15.851 5.963 1.00 0.00 H new ATOM 112 N PRO A 11 6.471 12.491 6.119 1.00 0.00 N ATOM 113 CA PRO A 11 5.653 11.401 5.578 1.00 0.00 C ATOM 114 C PRO A 11 4.240 11.855 5.230 1.00 0.00 C ATOM 115 O PRO A 11 3.562 11.234 4.410 1.00 0.00 O ATOM 116 CB PRO A 11 5.621 10.381 6.719 1.00 0.00 C ATOM 117 CG PRO A 11 5.846 11.186 7.953 1.00 0.00 C ATOM 118 CD PRO A 11 6.758 12.312 7.552 1.00 0.00 C ATOM 0 HA PRO A 11 6.062 11.007 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.665 9.858 6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.394 9.623 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.904 11.568 8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.297 10.579 8.738 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.550 13.219 8.120 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.805 12.062 7.724 1.00 0.00 H new ATOM 126 N SER A 12 3.800 12.941 5.857 1.00 0.00 N ATOM 127 CA SER A 12 2.465 13.476 5.615 1.00 0.00 C ATOM 128 C SER A 12 2.362 14.067 4.212 1.00 0.00 C ATOM 129 O SER A 12 1.276 14.153 3.640 1.00 0.00 O ATOM 130 CB SER A 12 2.124 14.543 6.657 1.00 0.00 C ATOM 131 OG SER A 12 0.775 14.959 6.538 1.00 0.00 O ATOM 0 H SER A 12 4.349 13.468 6.537 1.00 0.00 H new ATOM 0 HA SER A 12 1.751 12.656 5.698 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.299 14.148 7.658 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.785 15.401 6.533 1.00 0.00 H new ATOM 0 HG SER A 12 0.582 15.640 7.216 1.00 0.00 H new ATOM 137 N LYS A 13 3.502 14.473 3.664 1.00 0.00 N ATOM 138 CA LYS A 13 3.544 15.055 2.328 1.00 0.00 C ATOM 139 C LYS A 13 3.358 13.982 1.260 1.00 0.00 C ATOM 140 O LYS A 13 2.906 14.267 0.151 1.00 0.00 O ATOM 141 CB LYS A 13 4.872 15.784 2.107 1.00 0.00 C ATOM 142 CG LYS A 13 5.043 17.014 2.981 1.00 0.00 C ATOM 143 CD LYS A 13 4.116 18.138 2.549 1.00 0.00 C ATOM 144 CE LYS A 13 4.251 19.352 3.456 1.00 0.00 C ATOM 145 NZ LYS A 13 3.429 19.216 4.690 1.00 0.00 N ATOM 0 H LYS A 13 4.410 14.410 4.125 1.00 0.00 H new ATOM 0 HA LYS A 13 2.726 15.770 2.246 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.693 15.093 2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.945 16.079 1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.841 16.754 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.077 17.355 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.342 18.423 1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.085 17.786 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.297 19.486 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.946 20.247 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.548 20.063 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.427 19.113 4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.737 18.377 5.221 1.00 0.00 H new ATOM 159 N VAL A 14 3.707 12.746 1.603 1.00 0.00 N ATOM 160 CA VAL A 14 3.576 11.629 0.675 1.00 0.00 C ATOM 161 C VAL A 14 2.110 11.305 0.409 1.00 0.00 C ATOM 162 O VAL A 14 1.325 11.119 1.339 1.00 0.00 O ATOM 163 CB VAL A 14 4.280 10.368 1.211 1.00 0.00 C ATOM 164 CG1 VAL A 14 4.048 9.190 0.277 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.767 10.627 1.397 1.00 0.00 C ATOM 0 H VAL A 14 4.083 12.493 2.517 1.00 0.00 H new ATOM 0 HA VAL A 14 4.053 11.934 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 14 3.854 10.120 2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.553 8.308 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.979 8.992 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.446 9.425 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.249 9.726 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.211 10.901 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.908 11.441 2.108 1.00 0.00 H new ATOM 175 N VAL A 15 1.747 11.238 -0.868 1.00 0.00 N ATOM 176 CA VAL A 15 0.375 10.935 -1.258 1.00 0.00 C ATOM 177 C VAL A 15 0.303 9.630 -2.043 1.00 0.00 C ATOM 178 O VAL A 15 0.969 9.471 -3.065 1.00 0.00 O ATOM 179 CB VAL A 15 -0.230 12.067 -2.109 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.658 11.730 -2.510 1.00 0.00 C ATOM 181 CG2 VAL A 15 -0.177 13.387 -1.354 1.00 0.00 C ATOM 0 H VAL A 15 2.384 11.389 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.201 10.835 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 15 0.362 12.170 -3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.068 12.542 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.665 10.809 -3.092 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.266 11.598 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.609 14.176 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.744 13.299 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.860 13.633 -1.123 1.00 0.00 H new ATOM 191 N ALA A 16 -0.512 8.698 -1.558 1.00 0.00 N ATOM 192 CA ALA A 16 -0.673 7.408 -2.215 1.00 0.00 C ATOM 193 C ALA A 16 -2.116 7.197 -2.664 1.00 0.00 C ATOM 194 O ALA A 16 -3.055 7.474 -1.917 1.00 0.00 O ATOM 195 CB ALA A 16 -0.238 6.284 -1.286 1.00 0.00 C ATOM 0 H ALA A 16 -1.071 8.813 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.039 7.398 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.364 5.326 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.810 6.418 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.848 6.302 -0.383 1.00 0.00 H new ATOM 201 N SER A 17 -2.285 6.706 -3.887 1.00 0.00 N ATOM 202 CA SER A 17 -3.613 6.463 -4.437 1.00 0.00 C ATOM 203 C SER A 17 -3.575 5.345 -5.474 1.00 0.00 C ATOM 204 O SER A 17 -2.517 4.793 -5.771 1.00 0.00 O ATOM 205 CB SER A 17 -4.169 7.741 -5.068 1.00 0.00 C ATOM 206 OG SER A 17 -3.252 8.292 -5.996 1.00 0.00 O ATOM 0 H SER A 17 -1.518 6.468 -4.516 1.00 0.00 H new ATOM 0 HA SER A 17 -4.267 6.156 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.112 7.522 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.385 8.471 -4.288 1.00 0.00 H new ATOM 0 HG SER A 17 -3.632 9.107 -6.386 1.00 0.00 H new ATOM 212 N GLY A 18 -4.741 5.016 -6.024 1.00 0.00 N ATOM 213 CA GLY A 18 -4.820 3.966 -7.022 1.00 0.00 C ATOM 214 C GLY A 18 -5.950 2.993 -6.751 1.00 0.00 C ATOM 215 O GLY A 18 -6.579 3.017 -5.692 1.00 0.00 O ATOM 0 H GLY A 18 -5.631 5.458 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.958 4.414 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.875 3.423 -7.049 1.00 0.00 H new ATOM 219 N PRO A 19 -6.224 2.112 -7.724 1.00 0.00 N ATOM 220 CA PRO A 19 -7.288 1.110 -7.609 1.00 0.00 C ATOM 221 C PRO A 19 -6.957 0.027 -6.588 1.00 0.00 C ATOM 222 O PRO A 19 -7.851 -0.578 -5.998 1.00 0.00 O ATOM 223 CB PRO A 19 -7.366 0.512 -9.016 1.00 0.00 C ATOM 224 CG PRO A 19 -6.012 0.732 -9.597 1.00 0.00 C ATOM 225 CD PRO A 19 -5.516 2.025 -9.013 1.00 0.00 C ATOM 0 HA PRO A 19 -8.225 1.548 -7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.615 -0.549 -8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.137 1.001 -9.612 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.342 -0.091 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.058 0.787 -10.685 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.435 2.016 -8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.749 2.873 -9.657 1.00 0.00 H new ATOM 233 N GLY A 20 -5.665 -0.212 -6.384 1.00 0.00 N ATOM 234 CA GLY A 20 -5.239 -1.222 -5.433 1.00 0.00 C ATOM 235 C GLY A 20 -5.674 -0.905 -4.016 1.00 0.00 C ATOM 236 O GLY A 20 -5.934 -1.810 -3.222 1.00 0.00 O ATOM 0 H GLY A 20 -4.906 0.276 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.647 -2.189 -5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.153 -1.312 -5.465 1.00 0.00 H new ATOM 240 N LEU A 21 -5.754 0.382 -3.698 1.00 0.00 N ATOM 241 CA LEU A 21 -6.159 0.817 -2.366 1.00 0.00 C ATOM 242 C LEU A 21 -7.680 0.858 -2.246 1.00 0.00 C ATOM 243 O LEU A 21 -8.220 1.118 -1.171 1.00 0.00 O ATOM 244 CB LEU A 21 -5.574 2.196 -2.057 1.00 0.00 C ATOM 245 CG LEU A 21 -4.200 2.207 -1.387 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.440 3.474 -1.749 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.342 2.082 0.123 1.00 0.00 C ATOM 0 H LEU A 21 -5.544 1.143 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.775 0.097 -1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.506 2.757 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.274 2.730 -1.414 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.633 1.350 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.464 3.464 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.307 3.522 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.004 4.345 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.354 2.092 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.928 2.919 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.846 1.146 0.365 1.00 0.00 H new ATOM 259 N GLU A 22 -8.363 0.598 -3.356 1.00 0.00 N ATOM 260 CA GLU A 22 -9.821 0.605 -3.374 1.00 0.00 C ATOM 261 C GLU A 22 -10.371 -0.817 -3.421 1.00 0.00 C ATOM 262 O GLU A 22 -11.448 -1.096 -2.893 1.00 0.00 O ATOM 263 CB GLU A 22 -10.335 1.402 -4.575 1.00 0.00 C ATOM 264 CG GLU A 22 -9.700 2.776 -4.710 1.00 0.00 C ATOM 265 CD GLU A 22 -10.602 3.768 -5.419 1.00 0.00 C ATOM 266 OE1 GLU A 22 -11.181 3.403 -6.463 1.00 0.00 O ATOM 267 OE2 GLU A 22 -10.728 4.910 -4.929 1.00 0.00 O ATOM 0 H GLU A 22 -7.931 0.380 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.168 1.080 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.147 0.833 -5.485 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.415 1.517 -4.489 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.454 3.158 -3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.762 2.687 -5.259 1.00 0.00 H new ATOM 274 N HIS A 23 -9.624 -1.714 -4.057 1.00 0.00 N ATOM 275 CA HIS A 23 -10.036 -3.108 -4.173 1.00 0.00 C ATOM 276 C HIS A 23 -8.946 -3.943 -4.839 1.00 0.00 C ATOM 277 O HIS A 23 -8.006 -3.404 -5.422 1.00 0.00 O ATOM 278 CB HIS A 23 -11.335 -3.213 -4.973 1.00 0.00 C ATOM 279 CG HIS A 23 -11.305 -2.457 -6.265 1.00 0.00 C ATOM 280 ND1 HIS A 23 -11.033 -3.051 -7.480 1.00 0.00 N ATOM 281 CD2 HIS A 23 -11.517 -1.146 -6.529 1.00 0.00 C ATOM 282 CE1 HIS A 23 -11.078 -2.138 -8.434 1.00 0.00 C ATOM 283 NE2 HIS A 23 -11.370 -0.974 -7.883 1.00 0.00 N ATOM 0 H HIS A 23 -8.730 -1.500 -4.500 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.204 -3.496 -3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.540 -4.263 -5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.159 -2.842 -4.363 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.757 -0.378 -5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.905 -2.314 -9.486 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.470 -0.090 -8.382 1.00 0.00 H new ATOM 292 N GLY A 24 -9.078 -5.263 -4.746 1.00 0.00 N ATOM 293 CA GLY A 24 -8.097 -6.151 -5.342 1.00 0.00 C ATOM 294 C GLY A 24 -8.688 -7.493 -5.726 1.00 0.00 C ATOM 295 O GLY A 24 -9.861 -7.761 -5.467 1.00 0.00 O ATOM 0 H GLY A 24 -9.847 -5.733 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.673 -5.677 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.278 -6.306 -4.640 1.00 0.00 H new ATOM 299 N LYS A 25 -7.873 -8.340 -6.347 1.00 0.00 N ATOM 300 CA LYS A 25 -8.321 -9.662 -6.769 1.00 0.00 C ATOM 301 C LYS A 25 -7.187 -10.678 -6.668 1.00 0.00 C ATOM 302 O LYS A 25 -6.035 -10.370 -6.974 1.00 0.00 O ATOM 303 CB LYS A 25 -8.848 -9.611 -8.205 1.00 0.00 C ATOM 304 CG LYS A 25 -9.800 -10.744 -8.544 1.00 0.00 C ATOM 305 CD LYS A 25 -9.984 -10.887 -10.046 1.00 0.00 C ATOM 306 CE LYS A 25 -11.117 -10.009 -10.555 1.00 0.00 C ATOM 307 NZ LYS A 25 -10.788 -8.561 -10.443 1.00 0.00 N ATOM 0 H LYS A 25 -6.899 -8.134 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.126 -9.975 -6.104 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.357 -8.660 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.004 -9.638 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.417 -11.678 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.766 -10.562 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.058 -10.619 -10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.192 -11.929 -10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.327 -10.254 -11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.024 -10.221 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.273 -8.035 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.101 -8.205 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.760 -8.430 -10.535 1.00 0.00 H new ATOM 321 N VAL A 26 -7.522 -11.890 -6.238 1.00 0.00 N ATOM 322 CA VAL A 26 -6.532 -12.952 -6.100 1.00 0.00 C ATOM 323 C VAL A 26 -5.799 -13.195 -7.414 1.00 0.00 C ATOM 324 O VAL A 26 -6.403 -13.588 -8.411 1.00 0.00 O ATOM 325 CB VAL A 26 -7.183 -14.269 -5.638 1.00 0.00 C ATOM 326 CG1 VAL A 26 -6.218 -15.432 -5.811 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.642 -14.157 -4.192 1.00 0.00 C ATOM 0 H VAL A 26 -8.471 -12.161 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.818 -12.623 -5.345 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.058 -14.459 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.696 -16.354 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.943 -15.524 -6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.322 -15.253 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.100 -15.096 -3.882 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.785 -13.943 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.371 -13.351 -4.103 1.00 0.00 H new ATOM 337 N GLY A 27 -4.491 -12.957 -7.408 1.00 0.00 N ATOM 338 CA GLY A 27 -3.695 -13.156 -8.606 1.00 0.00 C ATOM 339 C GLY A 27 -3.457 -11.865 -9.364 1.00 0.00 C ATOM 340 O GLY A 27 -2.520 -11.768 -10.156 1.00 0.00 O ATOM 0 H GLY A 27 -3.968 -12.630 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.736 -13.595 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.198 -13.870 -9.259 1.00 0.00 H new ATOM 344 N GLU A 28 -4.309 -10.873 -9.123 1.00 0.00 N ATOM 345 CA GLU A 28 -4.187 -9.583 -9.792 1.00 0.00 C ATOM 346 C GLU A 28 -3.124 -8.719 -9.119 1.00 0.00 C ATOM 347 O GLU A 28 -2.496 -9.136 -8.146 1.00 0.00 O ATOM 348 CB GLU A 28 -5.531 -8.853 -9.788 1.00 0.00 C ATOM 349 CG GLU A 28 -6.452 -9.266 -10.924 1.00 0.00 C ATOM 350 CD GLU A 28 -5.952 -8.803 -12.279 1.00 0.00 C ATOM 351 OE1 GLU A 28 -5.516 -7.637 -12.382 1.00 0.00 O ATOM 352 OE2 GLU A 28 -5.996 -9.605 -13.234 1.00 0.00 O ATOM 0 H GLU A 28 -5.090 -10.938 -8.470 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.883 -9.764 -10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.033 -9.039 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.352 -7.780 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.552 -10.351 -10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.446 -8.855 -10.748 1.00 0.00 H new ATOM 359 N ALA A 29 -2.930 -7.514 -9.644 1.00 0.00 N ATOM 360 CA ALA A 29 -1.945 -6.591 -9.095 1.00 0.00 C ATOM 361 C ALA A 29 -2.589 -5.260 -8.721 1.00 0.00 C ATOM 362 O ALA A 29 -3.288 -4.649 -9.529 1.00 0.00 O ATOM 363 CB ALA A 29 -0.814 -6.372 -10.088 1.00 0.00 C ATOM 0 H ALA A 29 -3.442 -7.154 -10.449 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.535 -7.034 -8.188 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.086 -5.680 -9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.328 -7.324 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.216 -5.954 -11.011 1.00 0.00 H new ATOM 369 N GLY A 30 -2.350 -4.816 -7.491 1.00 0.00 N ATOM 370 CA GLY A 30 -2.915 -3.560 -7.032 1.00 0.00 C ATOM 371 C GLY A 30 -2.084 -2.364 -7.451 1.00 0.00 C ATOM 372 O GLY A 30 -1.066 -2.057 -6.829 1.00 0.00 O ATOM 0 H GLY A 30 -1.775 -5.304 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.925 -3.453 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.998 -3.578 -5.945 1.00 0.00 H new ATOM 376 N LEU A 31 -2.517 -1.686 -8.509 1.00 0.00 N ATOM 377 CA LEU A 31 -1.805 -0.516 -9.012 1.00 0.00 C ATOM 378 C LEU A 31 -1.799 0.604 -7.977 1.00 0.00 C ATOM 379 O LEU A 31 -2.850 1.125 -7.604 1.00 0.00 O ATOM 380 CB LEU A 31 -2.447 -0.023 -10.310 1.00 0.00 C ATOM 381 CG LEU A 31 -2.398 -0.991 -11.493 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.144 -0.414 -12.686 1.00 0.00 C ATOM 383 CD2 LEU A 31 -0.956 -1.305 -11.865 1.00 0.00 C ATOM 0 H LEU A 31 -3.357 -1.926 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.774 -0.807 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.490 0.218 -10.107 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.957 0.905 -10.605 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.887 -1.919 -11.199 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.098 -1.117 -13.518 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.185 -0.240 -12.415 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.684 0.529 -12.982 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.940 -1.995 -12.709 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.442 -0.384 -12.140 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.452 -1.761 -11.013 1.00 0.00 H new ATOM 395 N LEU A 32 -0.607 0.971 -7.517 1.00 0.00 N ATOM 396 CA LEU A 32 -0.463 2.032 -6.526 1.00 0.00 C ATOM 397 C LEU A 32 0.597 3.040 -6.958 1.00 0.00 C ATOM 398 O LEU A 32 1.685 2.664 -7.393 1.00 0.00 O ATOM 399 CB LEU A 32 -0.095 1.439 -5.165 1.00 0.00 C ATOM 400 CG LEU A 32 -1.052 0.382 -4.612 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.549 -0.148 -3.278 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.453 0.957 -4.466 1.00 0.00 C ATOM 0 H LEU A 32 0.273 0.550 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.418 2.550 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.898 0.997 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.028 2.253 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.093 -0.449 -5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.243 -0.899 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.435 -0.598 -3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.478 0.672 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.121 0.192 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.429 1.805 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.814 1.287 -5.440 1.00 0.00 H new ATOM 414 N SER A 33 0.272 4.323 -6.833 1.00 0.00 N ATOM 415 CA SER A 33 1.195 5.386 -7.212 1.00 0.00 C ATOM 416 C SER A 33 1.396 6.367 -6.061 1.00 0.00 C ATOM 417 O SER A 33 0.437 6.943 -5.547 1.00 0.00 O ATOM 418 CB SER A 33 0.675 6.127 -8.445 1.00 0.00 C ATOM 419 OG SER A 33 1.044 5.457 -9.637 1.00 0.00 O ATOM 0 H SER A 33 -0.624 4.651 -6.472 1.00 0.00 H new ATOM 0 HA SER A 33 2.156 4.931 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.411 6.210 -8.392 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.072 7.142 -8.457 1.00 0.00 H new ATOM 0 HG SER A 33 0.698 5.950 -10.410 1.00 0.00 H new ATOM 425 N VAL A 34 2.650 6.552 -5.662 1.00 0.00 N ATOM 426 CA VAL A 34 2.979 7.464 -4.572 1.00 0.00 C ATOM 427 C VAL A 34 3.571 8.764 -5.104 1.00 0.00 C ATOM 428 O VAL A 34 4.694 8.786 -5.609 1.00 0.00 O ATOM 429 CB VAL A 34 3.974 6.825 -3.586 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.312 7.795 -2.464 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.411 5.526 -3.028 1.00 0.00 C ATOM 0 H VAL A 34 3.455 6.083 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 34 2.048 7.680 -4.048 1.00 0.00 H new ATOM 0 HB VAL A 34 4.894 6.594 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.016 7.326 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.760 8.695 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.402 8.060 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.127 5.088 -2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.476 5.729 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.226 4.829 -3.845 1.00 0.00 H new ATOM 441 N ASP A 35 2.810 9.846 -4.987 1.00 0.00 N ATOM 442 CA ASP A 35 3.260 11.152 -5.454 1.00 0.00 C ATOM 443 C ASP A 35 3.866 11.960 -4.310 1.00 0.00 C ATOM 444 O ASP A 35 3.149 12.461 -3.443 1.00 0.00 O ATOM 445 CB ASP A 35 2.096 11.923 -6.078 1.00 0.00 C ATOM 446 CG ASP A 35 1.878 11.565 -7.535 1.00 0.00 C ATOM 447 OD1 ASP A 35 1.669 10.369 -7.826 1.00 0.00 O ATOM 448 OD2 ASP A 35 1.919 12.480 -8.384 1.00 0.00 O ATOM 0 H ASP A 35 1.878 9.845 -4.573 1.00 0.00 H new ATOM 0 HA ASP A 35 4.029 10.994 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.185 11.717 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.287 12.993 -5.995 1.00 0.00 H new ATOM 453 N CYS A 36 5.189 12.080 -4.314 1.00 0.00 N ATOM 454 CA CYS A 36 5.892 12.824 -3.275 1.00 0.00 C ATOM 455 C CYS A 36 6.194 14.247 -3.736 1.00 0.00 C ATOM 456 O CYS A 36 6.422 14.491 -4.921 1.00 0.00 O ATOM 457 CB CYS A 36 7.191 12.111 -2.898 1.00 0.00 C ATOM 458 SG CYS A 36 8.454 12.143 -4.192 1.00 0.00 S ATOM 0 H CYS A 36 5.796 11.672 -5.025 1.00 0.00 H new ATOM 0 HA CYS A 36 5.246 12.874 -2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.597 12.571 -1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.965 11.074 -2.652 1.00 0.00 H new ATOM 0 HG CYS A 36 8.195 13.105 -5.027 1.00 0.00 H new ATOM 464 N SER A 37 6.191 15.182 -2.792 1.00 0.00 N ATOM 465 CA SER A 37 6.459 16.581 -3.101 1.00 0.00 C ATOM 466 C SER A 37 7.482 17.166 -2.131 1.00 0.00 C ATOM 467 O SER A 37 8.558 17.604 -2.537 1.00 0.00 O ATOM 468 CB SER A 37 5.165 17.395 -3.047 1.00 0.00 C ATOM 469 OG SER A 37 5.319 18.643 -3.701 1.00 0.00 O ATOM 0 H SER A 37 6.006 14.996 -1.806 1.00 0.00 H new ATOM 0 HA SER A 37 6.870 16.632 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.358 16.832 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.878 17.558 -2.008 1.00 0.00 H new ATOM 0 HG SER A 37 4.478 19.143 -3.654 1.00 0.00 H new ATOM 475 N GLU A 38 7.136 17.170 -0.848 1.00 0.00 N ATOM 476 CA GLU A 38 8.023 17.701 0.180 1.00 0.00 C ATOM 477 C GLU A 38 8.338 16.639 1.230 1.00 0.00 C ATOM 478 O GLU A 38 8.654 16.958 2.375 1.00 0.00 O ATOM 479 CB GLU A 38 7.389 18.923 0.849 1.00 0.00 C ATOM 480 CG GLU A 38 7.553 20.207 0.053 1.00 0.00 C ATOM 481 CD GLU A 38 8.993 20.465 -0.347 1.00 0.00 C ATOM 482 OE1 GLU A 38 9.795 20.838 0.535 1.00 0.00 O ATOM 483 OE2 GLU A 38 9.317 20.295 -1.540 1.00 0.00 O ATOM 0 H GLU A 38 6.248 16.812 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 38 8.955 18.000 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.326 18.733 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.833 19.058 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.934 20.156 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.188 21.046 0.645 1.00 0.00 H new ATOM 490 N ALA A 39 8.248 15.375 0.829 1.00 0.00 N ATOM 491 CA ALA A 39 8.524 14.266 1.733 1.00 0.00 C ATOM 492 C ALA A 39 10.017 14.155 2.026 1.00 0.00 C ATOM 493 O ALA A 39 10.454 13.252 2.738 1.00 0.00 O ATOM 494 CB ALA A 39 8.002 12.963 1.145 1.00 0.00 C ATOM 0 H ALA A 39 7.986 15.094 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 39 8.009 14.460 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.215 12.143 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.925 13.038 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.491 12.773 0.190 1.00 0.00 H new ATOM 500 N GLY A 40 10.794 15.080 1.472 1.00 0.00 N ATOM 501 CA GLY A 40 12.230 15.068 1.685 1.00 0.00 C ATOM 502 C GLY A 40 12.839 13.700 1.452 1.00 0.00 C ATOM 503 O GLY A 40 12.301 12.875 0.712 1.00 0.00 O ATOM 0 H GLY A 40 10.455 15.838 0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.699 15.790 1.017 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.446 15.390 2.704 1.00 0.00 H new ATOM 507 N PRO A 41 13.989 13.442 2.093 1.00 0.00 N ATOM 508 CA PRO A 41 14.697 12.165 1.967 1.00 0.00 C ATOM 509 C PRO A 41 13.950 11.019 2.641 1.00 0.00 C ATOM 510 O PRO A 41 12.838 11.196 3.135 1.00 0.00 O ATOM 511 CB PRO A 41 16.028 12.426 2.675 1.00 0.00 C ATOM 512 CG PRO A 41 15.735 13.520 3.642 1.00 0.00 C ATOM 513 CD PRO A 41 14.686 14.378 2.991 1.00 0.00 C ATOM 0 HA PRO A 41 14.805 11.860 0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.387 11.532 3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.802 12.721 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.377 13.118 4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.632 14.099 3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.007 14.810 3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.130 15.208 2.441 1.00 0.00 H new ATOM 521 N GLY A 42 14.571 9.843 2.659 1.00 0.00 N ATOM 522 CA GLY A 42 13.951 8.686 3.276 1.00 0.00 C ATOM 523 C GLY A 42 13.715 7.559 2.289 1.00 0.00 C ATOM 524 O GLY A 42 13.863 7.742 1.082 1.00 0.00 O ATOM 0 H GLY A 42 15.493 9.672 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.585 8.328 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.000 8.981 3.720 1.00 0.00 H new ATOM 528 N ALA A 43 13.348 6.391 2.805 1.00 0.00 N ATOM 529 CA ALA A 43 13.091 5.231 1.961 1.00 0.00 C ATOM 530 C ALA A 43 11.637 4.784 2.069 1.00 0.00 C ATOM 531 O ALA A 43 11.060 4.772 3.157 1.00 0.00 O ATOM 532 CB ALA A 43 14.025 4.089 2.334 1.00 0.00 C ATOM 0 H ALA A 43 13.222 6.223 3.803 1.00 0.00 H new ATOM 0 HA ALA A 43 13.280 5.517 0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.822 3.229 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.059 4.406 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.864 3.813 3.376 1.00 0.00 H new ATOM 538 N LEU A 44 11.049 4.419 0.935 1.00 0.00 N ATOM 539 CA LEU A 44 9.661 3.972 0.902 1.00 0.00 C ATOM 540 C LEU A 44 9.577 2.451 0.975 1.00 0.00 C ATOM 541 O LEU A 44 10.374 1.744 0.360 1.00 0.00 O ATOM 542 CB LEU A 44 8.974 4.472 -0.370 1.00 0.00 C ATOM 543 CG LEU A 44 7.595 3.880 -0.664 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.607 4.261 0.428 1.00 0.00 C ATOM 545 CD2 LEU A 44 7.094 4.345 -2.024 1.00 0.00 C ATOM 0 H LEU A 44 11.512 4.424 0.026 1.00 0.00 H new ATOM 0 HA LEU A 44 9.150 4.387 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.876 5.556 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.626 4.262 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 44 7.684 2.794 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.631 3.831 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.959 3.879 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.522 5.346 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.112 3.914 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.021 5.433 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.790 4.022 -2.798 1.00 0.00 H new ATOM 557 N GLY A 45 8.603 1.952 1.731 1.00 0.00 N ATOM 558 CA GLY A 45 8.431 0.518 1.868 1.00 0.00 C ATOM 559 C GLY A 45 7.006 0.136 2.219 1.00 0.00 C ATOM 560 O GLY A 45 6.445 0.632 3.197 1.00 0.00 O ATOM 0 H GLY A 45 7.930 2.516 2.251 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.716 0.030 0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.104 0.146 2.640 1.00 0.00 H new ATOM 564 N LEU A 46 6.418 -0.747 1.420 1.00 0.00 N ATOM 565 CA LEU A 46 5.049 -1.195 1.650 1.00 0.00 C ATOM 566 C LEU A 46 5.017 -2.667 2.047 1.00 0.00 C ATOM 567 O LEU A 46 5.826 -3.465 1.575 1.00 0.00 O ATOM 568 CB LEU A 46 4.202 -0.975 0.395 1.00 0.00 C ATOM 569 CG LEU A 46 2.751 -1.449 0.473 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.853 -0.337 0.991 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.273 -1.933 -0.888 1.00 0.00 C ATOM 0 H LEU A 46 6.868 -1.167 0.607 1.00 0.00 H new ATOM 0 HA LEU A 46 4.634 -0.608 2.469 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.203 0.090 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.685 -1.484 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 46 2.700 -2.284 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.824 -0.693 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.181 -0.038 1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.909 0.519 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.238 -2.266 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.340 -1.118 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.898 -2.762 -1.219 1.00 0.00 H new ATOM 583 N GLU A 47 4.075 -3.019 2.917 1.00 0.00 N ATOM 584 CA GLU A 47 3.938 -4.396 3.377 1.00 0.00 C ATOM 585 C GLU A 47 2.479 -4.842 3.329 1.00 0.00 C ATOM 586 O GLU A 47 1.662 -4.415 4.143 1.00 0.00 O ATOM 587 CB GLU A 47 4.480 -4.539 4.800 1.00 0.00 C ATOM 588 CG GLU A 47 4.611 -5.982 5.260 1.00 0.00 C ATOM 589 CD GLU A 47 5.571 -6.139 6.423 1.00 0.00 C ATOM 590 OE1 GLU A 47 5.580 -5.257 7.308 1.00 0.00 O ATOM 591 OE2 GLU A 47 6.315 -7.142 6.448 1.00 0.00 O ATOM 0 H GLU A 47 3.397 -2.371 3.317 1.00 0.00 H new ATOM 0 HA GLU A 47 4.518 -5.034 2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.456 -4.058 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.821 -4.006 5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.630 -6.357 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.953 -6.595 4.426 1.00 0.00 H new ATOM 598 N ALA A 48 2.161 -5.705 2.369 1.00 0.00 N ATOM 599 CA ALA A 48 0.803 -6.210 2.215 1.00 0.00 C ATOM 600 C ALA A 48 0.650 -7.581 2.866 1.00 0.00 C ATOM 601 O ALA A 48 1.330 -8.536 2.492 1.00 0.00 O ATOM 602 CB ALA A 48 0.428 -6.278 0.742 1.00 0.00 C ATOM 0 H ALA A 48 2.826 -6.069 1.686 1.00 0.00 H new ATOM 0 HA ALA A 48 0.126 -5.520 2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.589 -6.657 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.488 -5.281 0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.116 -6.944 0.222 1.00 0.00 H new ATOM 608 N VAL A 49 -0.247 -7.670 3.843 1.00 0.00 N ATOM 609 CA VAL A 49 -0.489 -8.924 4.546 1.00 0.00 C ATOM 610 C VAL A 49 -1.968 -9.093 4.875 1.00 0.00 C ATOM 611 O VAL A 49 -2.653 -8.129 5.217 1.00 0.00 O ATOM 612 CB VAL A 49 0.328 -9.004 5.849 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.210 -10.105 6.750 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.801 -9.229 5.541 1.00 0.00 C ATOM 0 H VAL A 49 -0.818 -6.889 4.165 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.174 -9.727 3.879 1.00 0.00 H new ATOM 0 HB VAL A 49 0.231 -8.055 6.377 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.380 -10.146 7.666 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.251 -9.896 6.998 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.145 -11.062 6.233 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.363 -9.283 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.919 -10.163 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.177 -8.403 4.938 1.00 0.00 H new ATOM 624 N SER A 50 -2.455 -10.326 4.771 1.00 0.00 N ATOM 625 CA SER A 50 -3.855 -10.621 5.054 1.00 0.00 C ATOM 626 C SER A 50 -4.033 -11.065 6.503 1.00 0.00 C ATOM 627 O SER A 50 -3.085 -11.511 7.149 1.00 0.00 O ATOM 628 CB SER A 50 -4.370 -11.708 4.109 1.00 0.00 C ATOM 629 OG SER A 50 -3.962 -12.994 4.539 1.00 0.00 O ATOM 0 H SER A 50 -1.901 -11.136 4.493 1.00 0.00 H new ATOM 0 HA SER A 50 -4.432 -9.710 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.458 -11.666 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.998 -11.524 3.101 1.00 0.00 H new ATOM 0 HG SER A 50 -4.306 -13.671 3.919 1.00 0.00 H new ATOM 635 N ASP A 51 -5.256 -10.940 7.007 1.00 0.00 N ATOM 636 CA ASP A 51 -5.561 -11.329 8.379 1.00 0.00 C ATOM 637 C ASP A 51 -4.963 -12.695 8.702 1.00 0.00 C ATOM 638 O ASP A 51 -4.748 -13.029 9.867 1.00 0.00 O ATOM 639 CB ASP A 51 -7.074 -11.356 8.599 1.00 0.00 C ATOM 640 CG ASP A 51 -7.444 -11.461 10.066 1.00 0.00 C ATOM 641 OD1 ASP A 51 -7.243 -12.545 10.652 1.00 0.00 O ATOM 642 OD2 ASP A 51 -7.935 -10.459 10.627 1.00 0.00 O ATOM 0 H ASP A 51 -6.052 -10.572 6.486 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.117 -10.591 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.515 -10.452 8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.502 -12.200 8.058 1.00 0.00 H new ATOM 647 N SER A 52 -4.699 -13.480 7.663 1.00 0.00 N ATOM 648 CA SER A 52 -4.131 -14.812 7.837 1.00 0.00 C ATOM 649 C SER A 52 -2.615 -14.739 7.999 1.00 0.00 C ATOM 650 O SER A 52 -1.917 -15.743 7.868 1.00 0.00 O ATOM 651 CB SER A 52 -4.485 -15.700 6.642 1.00 0.00 C ATOM 652 OG SER A 52 -5.754 -16.306 6.816 1.00 0.00 O ATOM 0 H SER A 52 -4.869 -13.217 6.692 1.00 0.00 H new ATOM 0 HA SER A 52 -4.556 -15.246 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.485 -15.104 5.729 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.724 -16.471 6.519 1.00 0.00 H new ATOM 0 HG SER A 52 -5.958 -16.867 6.039 1.00 0.00 H new ATOM 658 N GLY A 53 -2.114 -13.541 8.286 1.00 0.00 N ATOM 659 CA GLY A 53 -0.685 -13.358 8.462 1.00 0.00 C ATOM 660 C GLY A 53 0.106 -13.760 7.233 1.00 0.00 C ATOM 661 O GLY A 53 1.237 -14.235 7.341 1.00 0.00 O ATOM 0 H GLY A 53 -2.672 -12.695 8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.482 -12.313 8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.349 -13.947 9.316 1.00 0.00 H new ATOM 665 N THR A 54 -0.489 -13.570 6.059 1.00 0.00 N ATOM 666 CA THR A 54 0.166 -13.918 4.805 1.00 0.00 C ATOM 667 C THR A 54 0.588 -12.670 4.039 1.00 0.00 C ATOM 668 O THR A 54 -0.252 -11.919 3.543 1.00 0.00 O ATOM 669 CB THR A 54 -0.753 -14.770 3.909 1.00 0.00 C ATOM 670 OG1 THR A 54 -1.313 -15.848 4.666 1.00 0.00 O ATOM 671 CG2 THR A 54 0.015 -15.325 2.718 1.00 0.00 C ATOM 0 H THR A 54 -1.424 -13.177 5.951 1.00 0.00 H new ATOM 0 HA THR A 54 1.052 -14.499 5.062 1.00 0.00 H new ATOM 0 HB THR A 54 -1.555 -14.132 3.538 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.897 -16.384 4.090 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.655 -15.923 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.415 -14.501 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.835 -15.949 3.073 1.00 0.00 H new ATOM 679 N LYS A 55 1.896 -12.451 3.947 1.00 0.00 N ATOM 680 CA LYS A 55 2.431 -11.294 3.240 1.00 0.00 C ATOM 681 C LYS A 55 2.426 -11.527 1.733 1.00 0.00 C ATOM 682 O LYS A 55 3.094 -12.432 1.233 1.00 0.00 O ATOM 683 CB LYS A 55 3.854 -10.993 3.716 1.00 0.00 C ATOM 684 CG LYS A 55 4.669 -12.237 4.021 1.00 0.00 C ATOM 685 CD LYS A 55 6.149 -11.918 4.145 1.00 0.00 C ATOM 686 CE LYS A 55 6.687 -11.268 2.879 1.00 0.00 C ATOM 687 NZ LYS A 55 8.176 -11.291 2.834 1.00 0.00 N ATOM 0 H LYS A 55 2.605 -13.061 4.354 1.00 0.00 H new ATOM 0 HA LYS A 55 1.792 -10.438 3.459 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.368 -10.410 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.805 -10.372 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.314 -12.687 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.520 -12.973 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.309 -11.252 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.704 -12.834 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.289 -11.787 2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.338 -10.237 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.504 -10.839 1.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.556 -10.774 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.509 -12.276 2.861 1.00 0.00 H new ATOM 701 N ALA A 56 1.670 -10.704 1.014 1.00 0.00 N ATOM 702 CA ALA A 56 1.582 -10.819 -0.437 1.00 0.00 C ATOM 703 C ALA A 56 2.823 -10.244 -1.110 1.00 0.00 C ATOM 704 O ALA A 56 3.560 -9.463 -0.508 1.00 0.00 O ATOM 705 CB ALA A 56 0.330 -10.119 -0.947 1.00 0.00 C ATOM 0 H ALA A 56 1.110 -9.950 1.412 1.00 0.00 H new ATOM 0 HA ALA A 56 1.522 -11.878 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.277 -10.213 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.551 -10.578 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.367 -9.064 -0.675 1.00 0.00 H new ATOM 711 N GLU A 57 3.049 -10.636 -2.360 1.00 0.00 N ATOM 712 CA GLU A 57 4.203 -10.159 -3.113 1.00 0.00 C ATOM 713 C GLU A 57 4.077 -8.669 -3.416 1.00 0.00 C ATOM 714 O GLU A 57 3.120 -8.233 -4.055 1.00 0.00 O ATOM 715 CB GLU A 57 4.349 -10.946 -4.417 1.00 0.00 C ATOM 716 CG GLU A 57 5.784 -11.053 -4.905 1.00 0.00 C ATOM 717 CD GLU A 57 5.903 -11.836 -6.198 1.00 0.00 C ATOM 718 OE1 GLU A 57 5.953 -13.082 -6.136 1.00 0.00 O ATOM 719 OE2 GLU A 57 5.946 -11.201 -7.273 1.00 0.00 O ATOM 0 H GLU A 57 2.449 -11.282 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 57 5.093 -10.313 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.947 -11.949 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.746 -10.469 -5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.189 -10.052 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.390 -11.533 -4.137 1.00 0.00 H new ATOM 726 N VAL A 58 5.051 -7.892 -2.952 1.00 0.00 N ATOM 727 CA VAL A 58 5.050 -6.451 -3.173 1.00 0.00 C ATOM 728 C VAL A 58 6.322 -6.004 -3.885 1.00 0.00 C ATOM 729 O VAL A 58 7.396 -6.568 -3.672 1.00 0.00 O ATOM 730 CB VAL A 58 4.919 -5.679 -1.847 1.00 0.00 C ATOM 731 CG1 VAL A 58 4.842 -4.182 -2.105 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.701 -6.158 -1.071 1.00 0.00 C ATOM 0 H VAL A 58 5.851 -8.237 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 58 4.187 -6.228 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 58 5.806 -5.874 -1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.750 -3.654 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.747 -3.854 -2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.974 -3.964 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.623 -5.602 -0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.803 -5.994 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.803 -7.221 -0.853 1.00 0.00 H new ATOM 742 N SER A 59 6.194 -4.986 -4.730 1.00 0.00 N ATOM 743 CA SER A 59 7.334 -4.465 -5.476 1.00 0.00 C ATOM 744 C SER A 59 7.245 -2.948 -5.613 1.00 0.00 C ATOM 745 O SER A 59 6.153 -2.380 -5.653 1.00 0.00 O ATOM 746 CB SER A 59 7.401 -5.110 -6.862 1.00 0.00 C ATOM 747 OG SER A 59 8.345 -4.449 -7.687 1.00 0.00 O ATOM 0 H SER A 59 5.313 -4.506 -4.915 1.00 0.00 H new ATOM 0 HA SER A 59 8.241 -4.711 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.672 -6.161 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.417 -5.076 -7.330 1.00 0.00 H new ATOM 0 HG SER A 59 8.370 -4.881 -8.566 1.00 0.00 H new ATOM 753 N ILE A 60 8.402 -2.298 -5.684 1.00 0.00 N ATOM 754 CA ILE A 60 8.455 -0.847 -5.817 1.00 0.00 C ATOM 755 C ILE A 60 9.265 -0.437 -7.042 1.00 0.00 C ATOM 756 O ILE A 60 10.347 -0.969 -7.289 1.00 0.00 O ATOM 757 CB ILE A 60 9.069 -0.190 -4.567 1.00 0.00 C ATOM 758 CG1 ILE A 60 8.337 -0.656 -3.307 1.00 0.00 C ATOM 759 CG2 ILE A 60 9.018 1.326 -4.686 1.00 0.00 C ATOM 760 CD1 ILE A 60 9.109 -0.405 -2.031 1.00 0.00 C ATOM 0 H ILE A 60 9.314 -2.753 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 60 7.427 -0.502 -5.932 1.00 0.00 H new ATOM 0 HB ILE A 60 10.113 -0.494 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.375 -0.147 -3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.128 -1.722 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.456 1.776 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.580 1.641 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.981 1.649 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.529 -0.761 -1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.060 -0.937 -2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.295 0.663 -1.923 1.00 0.00 H new ATOM 772 N GLN A 61 8.734 0.513 -7.805 1.00 0.00 N ATOM 773 CA GLN A 61 9.408 0.995 -9.005 1.00 0.00 C ATOM 774 C GLN A 61 9.861 2.441 -8.830 1.00 0.00 C ATOM 775 O GLN A 61 9.042 3.338 -8.637 1.00 0.00 O ATOM 776 CB GLN A 61 8.482 0.881 -10.217 1.00 0.00 C ATOM 777 CG GLN A 61 9.203 1.014 -11.548 1.00 0.00 C ATOM 778 CD GLN A 61 10.420 0.115 -11.645 1.00 0.00 C ATOM 779 OE1 GLN A 61 11.548 0.591 -11.773 1.00 0.00 O ATOM 780 NE2 GLN A 61 10.197 -1.192 -11.585 1.00 0.00 N ATOM 0 H GLN A 61 7.839 0.964 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 61 10.289 0.375 -9.171 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.971 -0.082 -10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.714 1.652 -10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.513 0.773 -12.356 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.510 2.050 -11.689 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.245 -1.543 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.978 -1.846 -11.645 1.00 0.00 H new ATOM 858 N THR A 67 7.929 9.997 -8.253 1.00 0.00 N ATOM 859 CA THR A 67 6.838 9.127 -7.832 1.00 0.00 C ATOM 860 C THR A 67 7.300 7.679 -7.719 1.00 0.00 C ATOM 861 O THR A 67 8.387 7.327 -8.179 1.00 0.00 O ATOM 862 CB THR A 67 5.651 9.201 -8.811 1.00 0.00 C ATOM 863 OG1 THR A 67 6.058 8.754 -10.109 1.00 0.00 O ATOM 864 CG2 THR A 67 5.112 10.620 -8.903 1.00 0.00 C ATOM 0 HA THR A 67 6.514 9.479 -6.852 1.00 0.00 H new ATOM 0 HB THR A 67 4.859 8.553 -8.436 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.012 8.938 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.275 10.647 -9.600 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.775 10.946 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.899 11.286 -9.256 1.00 0.00 H new ATOM 872 N TYR A 68 6.470 6.844 -7.105 1.00 0.00 N ATOM 873 CA TYR A 68 6.795 5.433 -6.931 1.00 0.00 C ATOM 874 C TYR A 68 5.624 4.549 -7.347 1.00 0.00 C ATOM 875 O TYR A 68 4.474 4.821 -7.003 1.00 0.00 O ATOM 876 CB TYR A 68 7.171 5.151 -5.475 1.00 0.00 C ATOM 877 CG TYR A 68 8.378 5.928 -5.000 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.261 7.251 -4.594 1.00 0.00 C ATOM 879 CD2 TYR A 68 9.635 5.337 -4.955 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.361 7.965 -4.160 1.00 0.00 C ATOM 881 CE2 TYR A 68 10.740 6.043 -4.521 1.00 0.00 C ATOM 882 CZ TYR A 68 10.599 7.356 -4.124 1.00 0.00 C ATOM 883 OH TYR A 68 11.697 8.063 -3.691 1.00 0.00 O ATOM 0 H TYR A 68 5.567 7.119 -6.719 1.00 0.00 H new ATOM 0 HA TYR A 68 7.646 5.200 -7.571 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.321 5.390 -4.836 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.367 4.085 -5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.293 7.730 -4.618 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.750 4.309 -5.264 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.253 8.994 -3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.710 5.569 -4.493 1.00 0.00 H new ATOM 0 HH TYR A 68 12.490 7.489 -3.726 1.00 0.00 H new ATOM 893 N ALA A 69 5.926 3.488 -8.088 1.00 0.00 N ATOM 894 CA ALA A 69 4.900 2.561 -8.549 1.00 0.00 C ATOM 895 C ALA A 69 4.862 1.308 -7.680 1.00 0.00 C ATOM 896 O ALA A 69 5.641 0.377 -7.880 1.00 0.00 O ATOM 897 CB ALA A 69 5.141 2.188 -10.004 1.00 0.00 C ATOM 0 H ALA A 69 6.873 3.249 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 69 3.933 3.058 -8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.367 1.495 -10.335 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.111 3.087 -10.620 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.118 1.714 -10.101 1.00 0.00 H new ATOM 903 N VAL A 70 3.950 1.293 -6.713 1.00 0.00 N ATOM 904 CA VAL A 70 3.809 0.154 -5.813 1.00 0.00 C ATOM 905 C VAL A 70 2.727 -0.802 -6.301 1.00 0.00 C ATOM 906 O VAL A 70 1.697 -0.378 -6.826 1.00 0.00 O ATOM 907 CB VAL A 70 3.468 0.609 -4.381 1.00 0.00 C ATOM 908 CG1 VAL A 70 2.940 -0.558 -3.561 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.686 1.232 -3.716 1.00 0.00 C ATOM 0 H VAL A 70 3.298 2.056 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 70 4.769 -0.362 -5.804 1.00 0.00 H new ATOM 0 HB VAL A 70 2.686 1.366 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.705 -0.217 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.039 -0.954 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.697 -1.340 -3.512 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.427 1.548 -2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.491 0.499 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.013 2.097 -4.293 1.00 0.00 H new ATOM 919 N THR A 71 2.967 -2.098 -6.125 1.00 0.00 N ATOM 920 CA THR A 71 2.014 -3.116 -6.549 1.00 0.00 C ATOM 921 C THR A 71 2.011 -4.300 -5.588 1.00 0.00 C ATOM 922 O THR A 71 3.007 -4.570 -4.917 1.00 0.00 O ATOM 923 CB THR A 71 2.328 -3.623 -7.969 1.00 0.00 C ATOM 924 OG1 THR A 71 2.888 -2.565 -8.754 1.00 0.00 O ATOM 925 CG2 THR A 71 1.072 -4.154 -8.644 1.00 0.00 C ATOM 0 H THR A 71 3.813 -2.467 -5.692 1.00 0.00 H new ATOM 0 HA THR A 71 1.030 -2.648 -6.548 1.00 0.00 H new ATOM 0 HB THR A 71 3.049 -4.436 -7.890 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.086 -2.896 -9.655 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.318 -4.506 -9.646 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.666 -4.979 -8.059 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.331 -3.358 -8.712 1.00 0.00 H new ATOM 933 N TYR A 72 0.886 -5.002 -5.526 1.00 0.00 N ATOM 934 CA TYR A 72 0.752 -6.157 -4.646 1.00 0.00 C ATOM 935 C TYR A 72 -0.127 -7.229 -5.282 1.00 0.00 C ATOM 936 O TYR A 72 -1.187 -6.933 -5.834 1.00 0.00 O ATOM 937 CB TYR A 72 0.164 -5.732 -3.299 1.00 0.00 C ATOM 938 CG TYR A 72 -1.324 -5.467 -3.345 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.239 -6.507 -3.235 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.815 -4.176 -3.498 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.599 -6.270 -3.277 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.174 -3.929 -3.539 1.00 0.00 C ATOM 943 CZ TYR A 72 -4.061 -4.979 -3.429 1.00 0.00 C ATOM 944 OH TYR A 72 -5.416 -4.739 -3.470 1.00 0.00 O ATOM 0 H TYR A 72 0.053 -4.792 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 72 1.745 -6.577 -4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.363 -6.511 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.675 -4.832 -2.957 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.880 -7.519 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.123 -3.352 -3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.296 -7.090 -3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.539 -2.919 -3.657 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.581 -3.778 -3.371 1.00 0.00 H new ATOM 954 N VAL A 73 0.322 -8.478 -5.200 1.00 0.00 N ATOM 955 CA VAL A 73 -0.423 -9.596 -5.766 1.00 0.00 C ATOM 956 C VAL A 73 -0.905 -10.545 -4.674 1.00 0.00 C ATOM 957 O VAL A 73 -0.153 -11.375 -4.162 1.00 0.00 O ATOM 958 CB VAL A 73 0.430 -10.385 -6.776 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.354 -11.565 -7.332 1.00 0.00 C ATOM 960 CG2 VAL A 73 0.905 -9.474 -7.898 1.00 0.00 C ATOM 0 H VAL A 73 1.198 -8.740 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.285 -9.173 -6.282 1.00 0.00 H new ATOM 0 HB VAL A 73 1.307 -10.774 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.265 -12.110 -8.044 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.639 -12.229 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.250 -11.202 -7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.506 -10.048 -8.603 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.042 -9.054 -8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.507 -8.667 -7.481 1.00 0.00 H new ATOM 970 N PRO A 74 -2.189 -10.421 -4.306 1.00 0.00 N ATOM 971 CA PRO A 74 -2.800 -11.260 -3.271 1.00 0.00 C ATOM 972 C PRO A 74 -2.966 -12.707 -3.721 1.00 0.00 C ATOM 973 O PRO A 74 -3.674 -12.989 -4.689 1.00 0.00 O ATOM 974 CB PRO A 74 -4.167 -10.608 -3.048 1.00 0.00 C ATOM 975 CG PRO A 74 -4.468 -9.911 -4.329 1.00 0.00 C ATOM 976 CD PRO A 74 -3.142 -9.453 -4.872 1.00 0.00 C ATOM 0 HA PRO A 74 -2.185 -11.312 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.928 -11.353 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.140 -9.908 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.967 -10.580 -5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.136 -9.065 -4.166 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.128 -9.466 -5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.911 -8.434 -4.562 1.00 0.00 H new ATOM 984 N LEU A 75 -2.312 -13.621 -3.013 1.00 0.00 N ATOM 985 CA LEU A 75 -2.388 -15.041 -3.340 1.00 0.00 C ATOM 986 C LEU A 75 -3.711 -15.637 -2.871 1.00 0.00 C ATOM 987 O LEU A 75 -4.140 -16.684 -3.357 1.00 0.00 O ATOM 988 CB LEU A 75 -1.220 -15.795 -2.701 1.00 0.00 C ATOM 989 CG LEU A 75 0.180 -15.330 -3.104 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.223 -15.892 -2.151 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.486 -15.742 -4.537 1.00 0.00 C ATOM 0 H LEU A 75 -1.723 -13.405 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.329 -15.143 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.310 -15.714 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.316 -16.852 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 75 0.213 -14.242 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.213 -15.551 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.014 -15.547 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.191 -16.981 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.486 -15.403 -4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.435 -16.827 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.244 -15.291 -5.209 1.00 0.00 H new ATOM 1003 N THR A 76 -4.356 -14.963 -1.924 1.00 0.00 N ATOM 1004 CA THR A 76 -5.631 -15.425 -1.390 1.00 0.00 C ATOM 1005 C THR A 76 -6.589 -14.260 -1.169 1.00 0.00 C ATOM 1006 O THR A 76 -6.167 -13.148 -0.853 1.00 0.00 O ATOM 1007 CB THR A 76 -5.442 -16.179 -0.060 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.657 -16.846 0.301 1.00 0.00 O ATOM 1009 CG2 THR A 76 -5.033 -15.223 1.051 1.00 0.00 C ATOM 0 H THR A 76 -4.016 -14.095 -1.511 1.00 0.00 H new ATOM 0 HA THR A 76 -6.055 -16.105 -2.128 1.00 0.00 H new ATOM 0 HB THR A 76 -4.649 -16.915 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.529 -17.325 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.905 -15.778 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.093 -14.738 0.786 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.807 -14.467 1.184 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.881 -14.523 -1.337 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.899 -13.497 -1.153 1.00 0.00 C ATOM 1019 C ALA A 77 -9.140 -13.221 0.327 1.00 0.00 C ATOM 1020 O ALA A 77 -8.821 -14.046 1.182 1.00 0.00 O ATOM 1021 CB ALA A 77 -10.196 -13.912 -1.832 1.00 0.00 C ATOM 0 H ALA A 77 -8.247 -15.438 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.539 -12.577 -1.613 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.947 -13.136 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.020 -14.051 -2.899 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.551 -14.847 -1.398 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.705 -12.055 0.624 1.00 0.00 N ATOM 1028 CA GLY A 78 -9.978 -11.691 2.002 1.00 0.00 C ATOM 1029 C GLY A 78 -9.555 -10.271 2.321 1.00 0.00 C ATOM 1030 O GLY A 78 -9.050 -9.557 1.456 1.00 0.00 O ATOM 0 H GLY A 78 -9.979 -11.355 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.044 -11.802 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.457 -12.380 2.667 1.00 0.00 H new ATOM 1034 N MET A 79 -9.765 -9.859 3.568 1.00 0.00 N ATOM 1035 CA MET A 79 -9.402 -8.514 3.999 1.00 0.00 C ATOM 1036 C MET A 79 -7.889 -8.380 4.144 1.00 0.00 C ATOM 1037 O MET A 79 -7.268 -9.080 4.944 1.00 0.00 O ATOM 1038 CB MET A 79 -10.085 -8.179 5.326 1.00 0.00 C ATOM 1039 CG MET A 79 -11.599 -8.086 5.223 1.00 0.00 C ATOM 1040 SD MET A 79 -12.139 -6.913 3.964 1.00 0.00 S ATOM 1041 CE MET A 79 -11.511 -5.378 4.640 1.00 0.00 C ATOM 0 H MET A 79 -10.184 -10.437 4.296 1.00 0.00 H new ATOM 0 HA MET A 79 -9.740 -7.811 3.237 1.00 0.00 H new ATOM 0 HB2 MET A 79 -9.825 -8.940 6.062 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.695 -7.231 5.697 1.00 0.00 H new ATOM 0 HG2 MET A 79 -12.005 -9.071 4.994 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.007 -7.790 6.189 1.00 0.00 H new ATOM 0 HE1 MET A 79 -12.284 -4.612 4.583 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.226 -5.529 5.681 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.640 -5.058 4.068 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.303 -7.476 3.367 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.863 -7.252 3.407 1.00 0.00 C ATOM 1053 C TYR A 80 -5.525 -6.027 4.252 1.00 0.00 C ATOM 1054 O TYR A 80 -6.378 -5.173 4.498 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.313 -7.075 1.991 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.871 -8.370 1.347 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -5.761 -9.142 0.611 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -3.563 -8.821 1.474 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -5.362 -10.326 0.021 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -3.154 -10.003 0.887 1.00 0.00 C ATOM 1061 CZ TYR A 80 -4.058 -10.752 0.162 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.656 -11.930 -0.425 1.00 0.00 O ATOM 0 H TYR A 80 -7.803 -6.886 2.702 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.398 -8.126 3.864 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.078 -6.612 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.468 -6.387 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.783 -8.811 0.498 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.853 -8.237 2.042 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.067 -10.914 -0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.133 -10.339 0.995 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.439 -12.492 -0.601 1.00 0.00 H new ATOM 1072 N THR A 81 -4.274 -5.948 4.694 1.00 0.00 N ATOM 1073 CA THR A 81 -3.822 -4.830 5.512 1.00 0.00 C ATOM 1074 C THR A 81 -2.570 -4.189 4.924 1.00 0.00 C ATOM 1075 O THR A 81 -1.452 -4.637 5.182 1.00 0.00 O ATOM 1076 CB THR A 81 -3.528 -5.273 6.958 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.736 -5.709 7.592 1.00 0.00 O ATOM 1078 CG2 THR A 81 -2.911 -4.136 7.758 1.00 0.00 C ATOM 0 H THR A 81 -3.556 -6.645 4.499 1.00 0.00 H new ATOM 0 HA THR A 81 -4.631 -4.099 5.522 1.00 0.00 H new ATOM 0 HB THR A 81 -2.817 -6.099 6.924 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.540 -5.991 8.510 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.712 -4.473 8.775 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.977 -3.827 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.601 -3.293 7.783 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.763 -3.140 4.134 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.648 -2.436 3.509 1.00 0.00 C ATOM 1088 C LEU A 82 -0.924 -1.556 4.522 1.00 0.00 C ATOM 1089 O LEU A 82 -1.535 -0.713 5.179 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.147 -1.584 2.340 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.203 -2.230 1.442 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -3.901 -1.175 0.597 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.573 -3.295 0.557 1.00 0.00 C ATOM 0 H LEU A 82 -3.682 -2.757 3.910 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.945 -3.180 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.557 -0.657 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.291 -1.312 1.723 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.948 -2.710 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.649 -1.652 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.387 -0.449 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.168 -0.666 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.340 -3.743 -0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.806 -2.840 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.121 -4.066 1.181 1.00 0.00 H new ATOM 1105 N THR A 83 0.385 -1.755 4.643 1.00 0.00 N ATOM 1106 CA THR A 83 1.194 -0.979 5.574 1.00 0.00 C ATOM 1107 C THR A 83 2.348 -0.289 4.857 1.00 0.00 C ATOM 1108 O THR A 83 3.324 -0.931 4.469 1.00 0.00 O ATOM 1109 CB THR A 83 1.761 -1.866 6.700 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.708 -2.629 7.299 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.448 -1.020 7.761 1.00 0.00 C ATOM 0 H THR A 83 0.908 -2.448 4.107 1.00 0.00 H new ATOM 0 HA THR A 83 0.538 -0.225 6.010 1.00 0.00 H new ATOM 0 HB THR A 83 2.497 -2.542 6.265 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.076 -3.191 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.840 -1.668 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.267 -0.462 7.307 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.729 -0.323 8.192 1.00 0.00 H new ATOM 1119 N MET A 84 2.231 1.024 4.685 1.00 0.00 N ATOM 1120 CA MET A 84 3.267 1.802 4.016 1.00 0.00 C ATOM 1121 C MET A 84 4.002 2.696 5.009 1.00 0.00 C ATOM 1122 O MET A 84 3.381 3.438 5.770 1.00 0.00 O ATOM 1123 CB MET A 84 2.655 2.653 2.901 1.00 0.00 C ATOM 1124 CG MET A 84 3.689 3.287 1.984 1.00 0.00 C ATOM 1125 SD MET A 84 2.941 4.262 0.664 1.00 0.00 S ATOM 1126 CE MET A 84 2.438 2.968 -0.468 1.00 0.00 C ATOM 0 H MET A 84 1.430 1.571 5.000 1.00 0.00 H new ATOM 0 HA MET A 84 3.985 1.107 3.580 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.986 2.031 2.306 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.046 3.439 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.349 3.925 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.309 2.505 1.546 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.973 3.414 -1.347 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.311 2.391 -0.772 1.00 0.00 H new ATOM 0 HE3 MET A 84 1.723 2.310 0.026 1.00 0.00 H new ATOM 1136 N LYS A 85 5.329 2.621 4.996 1.00 0.00 N ATOM 1137 CA LYS A 85 6.150 3.424 5.895 1.00 0.00 C ATOM 1138 C LYS A 85 7.204 4.204 5.117 1.00 0.00 C ATOM 1139 O LYS A 85 8.050 3.619 4.440 1.00 0.00 O ATOM 1140 CB LYS A 85 6.826 2.530 6.936 1.00 0.00 C ATOM 1141 CG LYS A 85 5.980 2.290 8.174 1.00 0.00 C ATOM 1142 CD LYS A 85 6.842 2.069 9.405 1.00 0.00 C ATOM 1143 CE LYS A 85 6.148 1.172 10.418 1.00 0.00 C ATOM 1144 NZ LYS A 85 5.287 1.951 11.351 1.00 0.00 N ATOM 0 H LYS A 85 5.859 2.012 4.372 1.00 0.00 H new ATOM 0 HA LYS A 85 5.499 4.135 6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.065 1.570 6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.771 2.985 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.323 3.144 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.341 1.421 8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.791 1.621 9.110 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.073 3.029 9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.541 0.434 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.896 0.622 10.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.527 1.705 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.444 2.968 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.288 1.725 11.172 1.00 0.00 H new ATOM 1158 N TYR A 86 7.149 5.528 5.218 1.00 0.00 N ATOM 1159 CA TYR A 86 8.099 6.388 4.523 1.00 0.00 C ATOM 1160 C TYR A 86 9.054 7.054 5.509 1.00 0.00 C ATOM 1161 O TYR A 86 8.649 7.891 6.314 1.00 0.00 O ATOM 1162 CB TYR A 86 7.358 7.454 3.715 1.00 0.00 C ATOM 1163 CG TYR A 86 8.182 8.047 2.594 1.00 0.00 C ATOM 1164 CD1 TYR A 86 9.024 9.128 2.822 1.00 0.00 C ATOM 1165 CD2 TYR A 86 8.117 7.526 1.308 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.779 9.673 1.801 1.00 0.00 C ATOM 1167 CE2 TYR A 86 8.869 8.064 0.281 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.698 9.137 0.532 1.00 0.00 C ATOM 1169 OH TYR A 86 10.447 9.676 -0.488 1.00 0.00 O ATOM 0 H TYR A 86 6.456 6.029 5.775 1.00 0.00 H new ATOM 0 HA TYR A 86 8.682 5.767 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.452 7.016 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.044 8.254 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.090 9.550 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.468 6.686 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 86 10.429 10.514 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.808 7.646 -0.713 1.00 0.00 H new ATOM 0 HH TYR A 86 10.275 9.182 -1.317 1.00 0.00 H new ATOM 1179 N GLY A 87 10.327 6.674 5.439 1.00 0.00 N ATOM 1180 CA GLY A 87 11.321 7.244 6.330 1.00 0.00 C ATOM 1181 C GLY A 87 11.097 6.849 7.776 1.00 0.00 C ATOM 1182 O GLY A 87 11.278 7.661 8.683 1.00 0.00 O ATOM 0 H GLY A 87 10.687 5.982 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.314 6.919 6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.300 8.331 6.246 1.00 0.00 H new ATOM 1186 N GLY A 88 10.699 5.599 7.993 1.00 0.00 N ATOM 1187 CA GLY A 88 10.455 5.121 9.341 1.00 0.00 C ATOM 1188 C GLY A 88 9.201 5.718 9.949 1.00 0.00 C ATOM 1189 O GLY A 88 8.937 5.543 11.138 1.00 0.00 O ATOM 0 H GLY A 88 10.541 4.909 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.367 4.035 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.311 5.364 9.970 1.00 0.00 H new ATOM 1193 N GLU A 89 8.428 6.427 9.132 1.00 0.00 N ATOM 1194 CA GLU A 89 7.197 7.053 9.598 1.00 0.00 C ATOM 1195 C GLU A 89 6.018 6.664 8.711 1.00 0.00 C ATOM 1196 O GLU A 89 6.099 6.737 7.484 1.00 0.00 O ATOM 1197 CB GLU A 89 7.350 8.576 9.622 1.00 0.00 C ATOM 1198 CG GLU A 89 8.554 9.054 10.416 1.00 0.00 C ATOM 1199 CD GLU A 89 8.336 10.417 11.043 1.00 0.00 C ATOM 1200 OE1 GLU A 89 7.636 11.248 10.428 1.00 0.00 O ATOM 1201 OE2 GLU A 89 8.865 10.652 12.150 1.00 0.00 O ATOM 0 H GLU A 89 8.633 6.582 8.145 1.00 0.00 H new ATOM 0 HA GLU A 89 7.001 6.698 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.432 8.941 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.448 9.017 10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.779 8.330 11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.424 9.095 9.760 1.00 0.00 H new ATOM 1208 N LEU A 90 4.924 6.248 9.340 1.00 0.00 N ATOM 1209 CA LEU A 90 3.728 5.846 8.608 1.00 0.00 C ATOM 1210 C LEU A 90 3.167 7.011 7.799 1.00 0.00 C ATOM 1211 O LEU A 90 3.410 8.175 8.116 1.00 0.00 O ATOM 1212 CB LEU A 90 2.665 5.325 9.577 1.00 0.00 C ATOM 1213 CG LEU A 90 2.698 3.823 9.865 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.716 3.471 10.972 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.388 3.032 8.603 1.00 0.00 C ATOM 0 H LEU A 90 4.841 6.180 10.354 1.00 0.00 H new ATOM 0 HA LEU A 90 4.005 5.049 7.918 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.771 5.858 10.522 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.683 5.577 9.177 1.00 0.00 H new ATOM 0 HG LEU A 90 3.701 3.558 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.753 2.399 11.164 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.983 4.011 11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.708 3.750 10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.416 1.965 8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.396 3.301 8.239 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.130 3.262 7.838 1.00 0.00 H new ATOM 1227 N VAL A 91 2.413 6.689 6.753 1.00 0.00 N ATOM 1228 CA VAL A 91 1.814 7.708 5.899 1.00 0.00 C ATOM 1229 C VAL A 91 0.337 7.899 6.225 1.00 0.00 C ATOM 1230 O VAL A 91 -0.308 7.040 6.827 1.00 0.00 O ATOM 1231 CB VAL A 91 1.957 7.348 4.409 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.234 7.944 3.836 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.933 5.838 4.222 1.00 0.00 C ATOM 0 H VAL A 91 2.202 5.730 6.476 1.00 0.00 H new ATOM 0 HA VAL A 91 2.349 8.637 6.093 1.00 0.00 H new ATOM 0 HB VAL A 91 1.112 7.772 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.318 7.679 2.782 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.206 9.029 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.094 7.551 4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.035 5.601 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.758 5.390 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.989 5.440 4.593 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.215 9.052 5.817 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.623 9.383 6.054 1.00 0.00 C ATOM 1245 C PRO A 92 -2.568 8.523 5.221 1.00 0.00 C ATOM 1246 O PRO A 92 -3.784 8.714 5.249 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.720 10.850 5.627 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.615 11.032 4.644 1.00 0.00 C ATOM 1249 CD PRO A 92 0.494 10.121 5.094 1.00 0.00 C ATOM 0 HA PRO A 92 -1.914 9.206 7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.689 11.069 5.178 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.605 11.519 6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.944 10.778 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.282 12.070 4.619 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.059 9.728 4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.204 10.640 5.738 1.00 0.00 H new ATOM 1257 N HIS A 93 -2.002 7.575 4.481 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.795 6.684 3.641 1.00 0.00 C ATOM 1259 C HIS A 93 -2.600 5.229 4.057 1.00 0.00 C ATOM 1260 O HIS A 93 -2.914 4.310 3.300 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.414 6.863 2.171 1.00 0.00 C ATOM 1262 CG HIS A 93 -3.090 8.027 1.515 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -4.080 7.885 0.566 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -2.915 9.359 1.677 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -4.483 9.079 0.171 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -3.792 9.991 0.830 1.00 0.00 N ATOM 0 H HIS A 93 -0.997 7.404 4.446 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.846 6.942 3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.334 6.992 2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.665 5.953 1.626 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -2.216 9.836 2.348 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.248 9.276 -0.566 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.893 11.001 0.727 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.079 5.028 5.262 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.840 3.684 5.777 1.00 0.00 C ATOM 1277 C PHE A 94 -1.781 3.689 7.302 1.00 0.00 C ATOM 1278 O PHE A 94 -1.420 4.684 7.931 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.538 3.120 5.207 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.522 3.048 3.706 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.366 4.196 2.946 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.662 1.832 3.056 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.353 4.132 1.566 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.649 1.763 1.676 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.493 2.914 0.930 1.00 0.00 C ATOM 0 H PHE A 94 -1.814 5.778 5.901 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.669 3.050 5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.294 3.739 5.542 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.376 2.121 5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.253 5.151 3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.783 0.928 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.233 5.034 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.761 0.809 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.480 2.862 -0.149 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.144 2.550 7.911 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.575 1.360 7.173 1.00 0.00 C ATOM 1297 C PRO A 95 -3.934 1.552 6.507 1.00 0.00 C ATOM 1298 O PRO A 95 -4.769 2.316 6.989 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.658 0.281 8.255 1.00 0.00 C ATOM 1300 CG PRO A 95 -2.891 1.032 9.521 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.161 2.338 9.368 1.00 0.00 C ATOM 0 HA PRO A 95 -1.891 1.115 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.469 -0.419 8.055 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.738 -0.302 8.304 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.956 1.197 9.687 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.518 0.474 10.380 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.674 3.148 9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.153 2.285 9.778 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.148 0.853 5.397 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.406 0.945 4.667 1.00 0.00 C ATOM 1311 C ALA A 96 -5.908 -0.437 4.262 1.00 0.00 C ATOM 1312 O ALA A 96 -5.286 -1.119 3.447 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.241 1.829 3.440 1.00 0.00 C ATOM 0 H ALA A 96 -3.466 0.217 4.984 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.148 1.394 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.188 1.889 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.936 2.828 3.750 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.480 1.404 2.785 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.035 -0.844 4.836 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.619 -2.146 4.536 1.00 0.00 C ATOM 1321 C ARG A 97 -8.346 -2.119 3.194 1.00 0.00 C ATOM 1322 O ARG A 97 -8.959 -1.116 2.828 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.587 -2.563 5.645 1.00 0.00 C ATOM 1324 CG ARG A 97 -9.723 -1.578 5.863 1.00 0.00 C ATOM 1325 CD ARG A 97 -10.933 -1.924 5.009 1.00 0.00 C ATOM 1326 NE ARG A 97 -12.156 -1.311 5.518 1.00 0.00 N ATOM 1327 CZ ARG A 97 -13.294 -1.263 4.835 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -13.364 -1.790 3.620 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -14.365 -0.687 5.366 1.00 0.00 N ATOM 0 H ARG A 97 -7.562 -0.291 5.512 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.810 -2.874 4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.006 -3.540 5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.032 -2.677 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.008 -1.576 6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.383 -0.570 5.623 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.761 -1.592 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.056 -3.007 4.977 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.135 -0.897 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.543 -2.233 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.239 -1.752 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.315 -0.280 6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.238 -0.651 4.840 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.273 -3.228 2.465 1.00 0.00 N ATOM 1344 CA VAL A 98 -8.925 -3.332 1.165 1.00 0.00 C ATOM 1345 C VAL A 98 -9.467 -4.738 0.933 1.00 0.00 C ATOM 1346 O VAL A 98 -8.705 -5.698 0.811 1.00 0.00 O ATOM 1347 CB VAL A 98 -7.958 -2.972 0.022 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.673 -3.025 -1.319 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.346 -1.599 0.256 1.00 0.00 C ATOM 0 H VAL A 98 -7.769 -4.067 2.752 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.752 -2.622 1.168 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.152 -3.706 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.974 -2.768 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.059 -4.031 -1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.500 -2.315 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.665 -1.360 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.137 -0.851 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.797 -1.601 1.197 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.789 -4.854 0.873 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.436 -6.143 0.654 1.00 0.00 C ATOM 1361 C LYS A 99 -11.135 -6.672 -0.744 1.00 0.00 C ATOM 1362 O LYS A 99 -11.577 -6.103 -1.743 1.00 0.00 O ATOM 1363 CB LYS A 99 -12.949 -6.017 0.849 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.684 -7.344 0.771 1.00 0.00 C ATOM 1365 CD LYS A 99 -15.172 -7.143 0.535 1.00 0.00 C ATOM 1366 CE LYS A 99 -15.965 -8.392 0.888 1.00 0.00 C ATOM 1367 NZ LYS A 99 -17.362 -8.326 0.376 1.00 0.00 N ATOM 0 H LYS A 99 -11.434 -4.070 0.973 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.040 -6.849 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.145 -5.559 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.350 -5.344 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.265 -7.947 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.533 -7.900 1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.527 -6.304 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.344 -6.884 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.467 -9.268 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.981 -8.518 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -17.869 -9.196 0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -17.846 -7.505 0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -17.348 -8.231 -0.660 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.380 -7.764 -0.809 1.00 0.00 N ATOM 1382 CA VAL A 100 -10.022 -8.371 -2.086 1.00 0.00 C ATOM 1383 C VAL A 100 -10.988 -9.493 -2.451 1.00 0.00 C ATOM 1384 O VAL A 100 -11.364 -10.301 -1.602 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.588 -8.932 -2.058 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.248 -9.596 -3.384 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.591 -7.829 -1.733 1.00 0.00 C ATOM 0 H VAL A 100 -10.004 -8.247 0.007 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.082 -7.585 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.527 -9.688 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.231 -9.986 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.944 -10.414 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.325 -8.864 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.583 -8.243 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.651 -7.049 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.824 -7.404 -0.757 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.385 -9.536 -3.719 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.308 -10.559 -4.195 1.00 0.00 C ATOM 1399 C GLU A 101 -11.550 -11.727 -4.820 1.00 0.00 C ATOM 1400 O GLU A 101 -10.388 -11.608 -5.212 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.281 -9.965 -5.215 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.527 -9.361 -4.588 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.625 -9.105 -5.601 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -16.144 -10.086 -6.174 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -15.964 -7.924 -5.823 1.00 0.00 O ATOM 0 H GLU A 101 -11.082 -8.875 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.872 -10.930 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.766 -9.197 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.579 -10.744 -5.917 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -14.901 -10.031 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.264 -8.423 -4.098 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.221 -12.884 -4.916 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.631 -14.096 -5.492 1.00 0.00 C ATOM 1414 C PRO A 102 -11.422 -13.980 -6.998 1.00 0.00 C ATOM 1415 O PRO A 102 -11.871 -13.020 -7.624 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.666 -15.179 -5.178 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.955 -14.443 -5.046 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.607 -13.099 -4.470 1.00 0.00 C ATOM 0 HA PRO A 102 -10.642 -14.301 -5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.714 -15.923 -5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.417 -15.710 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.445 -14.338 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.646 -14.979 -4.395 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.273 -12.319 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.684 -13.096 -3.383 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.738 -14.963 -7.574 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.472 -14.972 -9.007 1.00 0.00 C ATOM 1428 C ALA A 103 -11.312 -16.029 -9.715 1.00 0.00 C ATOM 1429 O ALA A 103 -10.790 -16.842 -10.479 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.992 -15.209 -9.268 1.00 0.00 C ATOM 0 H ALA A 103 -10.358 -15.764 -7.070 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.749 -13.997 -9.409 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.808 -15.213 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.409 -14.414 -8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.697 -16.170 -8.846 1.00 0.00 H new