USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 734 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 37 THR OG1 : rot -120:sc= 0.0665 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -18:sc= 0.905 USER MOD Single : A 16 THR OG1 : rot 61:sc= 1.06 USER MOD Single : A 19 GLN : amide:sc= -0.866 K(o=-0.87,f=-5.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -41:sc= 0.0473 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 54:sc= 1.04 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0121 X(o=-0.012,f=-0.48) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 3:sc= 1.19 USER MOD Single : A 55 SER OG : rot 74:sc= 1.27 USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 1.13 (180deg=1.11) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 37:sc= 0.714 USER MOD Single : A 68 THR OG1 : rot 43:sc= 0.0404 USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00981) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0852 USER MOD Single : A 93 MET CE :methyl -178:sc= -0.654 (180deg=-0.674) USER MOD Single : A 94 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.49) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.2!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0.525 (180deg=0.525) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 170:sc= -0.0193 (180deg=-0.0539) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.3) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot -6:sc= 1.13 USER MOD Single : A 129 ASN : amide:sc= -0.041 K(o=-0.041,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -19.858 -2.253 -0.273 1.00 0.00 N ATOM 110 CA GLY A 10 -18.576 -1.759 0.216 1.00 0.00 C ATOM 111 C GLY A 10 -18.379 -2.071 1.700 1.00 0.00 C ATOM 112 O GLY A 10 -19.334 -2.431 2.394 1.00 0.00 O ATOM 0 HA2 GLY A 10 -17.768 -2.209 -0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -18.517 -0.682 0.060 1.00 0.00 H new ATOM 116 N ALA A 11 -17.151 -1.921 2.210 1.00 0.00 N ATOM 117 CA ALA A 11 -16.785 -2.183 3.604 1.00 0.00 C ATOM 118 C ALA A 11 -15.651 -1.253 4.063 1.00 0.00 C ATOM 119 O ALA A 11 -14.960 -0.654 3.234 1.00 0.00 O ATOM 120 CB ALA A 11 -16.373 -3.649 3.746 1.00 0.00 C ATOM 0 H ALA A 11 -16.362 -1.604 1.646 1.00 0.00 H new ATOM 0 HA ALA A 11 -17.647 -1.984 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.099 -3.851 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.206 -4.291 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.520 -3.851 3.099 1.00 0.00 H new ATOM 126 N MET A 12 -15.450 -1.116 5.380 1.00 0.00 N ATOM 127 CA MET A 12 -14.362 -0.297 5.932 1.00 0.00 C ATOM 128 C MET A 12 -13.028 -1.036 5.885 1.00 0.00 C ATOM 129 O MET A 12 -13.001 -2.255 6.085 1.00 0.00 O ATOM 130 CB MET A 12 -14.657 0.148 7.373 1.00 0.00 C ATOM 131 CG MET A 12 -15.558 1.379 7.336 1.00 0.00 C ATOM 132 SD MET A 12 -15.654 2.321 8.878 1.00 0.00 S ATOM 133 CE MET A 12 -16.420 3.821 8.213 1.00 0.00 C ATOM 0 H MET A 12 -16.031 -1.565 6.088 1.00 0.00 H new ATOM 0 HA MET A 12 -14.293 0.592 5.304 1.00 0.00 H new ATOM 0 HB2 MET A 12 -15.142 -0.658 7.924 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.728 0.377 7.895 1.00 0.00 H new ATOM 0 HG2 MET A 12 -15.205 2.043 6.547 1.00 0.00 H new ATOM 0 HG3 MET A 12 -16.564 1.063 7.060 1.00 0.00 H new ATOM 0 HE1 MET A 12 -16.567 4.542 9.017 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.771 4.254 7.452 1.00 0.00 H new ATOM 0 HE3 MET A 12 -17.384 3.571 7.769 1.00 0.00 H new ATOM 143 N TYR A 13 -11.915 -0.325 5.665 1.00 0.00 N ATOM 144 CA TYR A 13 -10.580 -0.865 5.912 1.00 0.00 C ATOM 145 C TYR A 13 -9.618 0.250 6.340 1.00 0.00 C ATOM 146 O TYR A 13 -9.956 1.437 6.306 1.00 0.00 O ATOM 147 CB TYR A 13 -10.064 -1.639 4.682 1.00 0.00 C ATOM 148 CG TYR A 13 -9.644 -0.796 3.493 1.00 0.00 C ATOM 149 CD1 TYR A 13 -10.580 -0.411 2.514 1.00 0.00 C ATOM 150 CD2 TYR A 13 -8.298 -0.407 3.359 1.00 0.00 C ATOM 151 CE1 TYR A 13 -10.173 0.371 1.417 1.00 0.00 C ATOM 152 CE2 TYR A 13 -7.893 0.386 2.273 1.00 0.00 C ATOM 153 CZ TYR A 13 -8.830 0.782 1.293 1.00 0.00 C ATOM 154 OH TYR A 13 -8.441 1.578 0.262 1.00 0.00 O ATOM 0 H TYR A 13 -11.918 0.633 5.314 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.638 -1.577 6.735 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.213 -2.246 4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.845 -2.327 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.612 -0.716 2.605 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.573 -0.720 4.095 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.894 0.658 0.666 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.861 0.694 2.187 1.00 0.00 H new ATOM 0 HH TYR A 13 -9.114 1.545 -0.449 1.00 0.00 H new ATOM 164 N GLU A 14 -8.398 -0.132 6.698 1.00 0.00 N ATOM 165 CA GLU A 14 -7.252 0.723 6.984 1.00 0.00 C ATOM 166 C GLU A 14 -6.041 -0.024 6.422 1.00 0.00 C ATOM 167 O GLU A 14 -6.118 -1.242 6.198 1.00 0.00 O ATOM 168 CB GLU A 14 -7.208 0.953 8.499 1.00 0.00 C ATOM 169 CG GLU A 14 -6.068 1.825 9.058 1.00 0.00 C ATOM 170 CD GLU A 14 -6.408 2.419 10.438 1.00 0.00 C ATOM 171 OE1 GLU A 14 -7.595 2.721 10.703 1.00 0.00 O ATOM 172 OE2 GLU A 14 -5.511 2.656 11.273 1.00 0.00 O ATOM 0 H GLU A 14 -8.167 -1.120 6.804 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.289 1.713 6.529 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.154 1.406 8.797 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.154 -0.021 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.161 1.226 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.856 2.634 8.359 1.00 0.00 H new ATOM 179 N VAL A 15 -4.958 0.689 6.141 1.00 0.00 N ATOM 180 CA VAL A 15 -3.794 0.168 5.448 1.00 0.00 C ATOM 181 C VAL A 15 -2.577 0.898 6.027 1.00 0.00 C ATOM 182 O VAL A 15 -2.609 2.120 6.178 1.00 0.00 O ATOM 183 CB VAL A 15 -4.034 0.333 3.920 1.00 0.00 C ATOM 184 CG1 VAL A 15 -4.140 1.784 3.432 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.002 -0.387 3.052 1.00 0.00 C ATOM 0 H VAL A 15 -4.866 1.672 6.397 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.610 -0.897 5.592 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.009 -0.139 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.307 1.794 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.973 2.276 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.215 2.313 3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.236 -0.226 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.008 0.005 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.025 -1.455 3.269 1.00 0.00 H new ATOM 195 N THR A 16 -1.523 0.157 6.364 1.00 0.00 N ATOM 196 CA THR A 16 -0.262 0.708 6.857 1.00 0.00 C ATOM 197 C THR A 16 0.828 0.354 5.860 1.00 0.00 C ATOM 198 O THR A 16 0.867 -0.779 5.364 1.00 0.00 O ATOM 199 CB THR A 16 0.134 0.139 8.236 1.00 0.00 C ATOM 200 OG1 THR A 16 -0.919 -0.533 8.875 1.00 0.00 O ATOM 201 CG2 THR A 16 0.582 1.245 9.183 1.00 0.00 C ATOM 0 H THR A 16 -1.521 -0.861 6.301 1.00 0.00 H new ATOM 0 HA THR A 16 -0.385 1.785 6.967 1.00 0.00 H new ATOM 0 HB THR A 16 0.944 -0.560 8.027 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.202 -1.295 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.854 0.812 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.445 1.759 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.232 1.956 9.322 1.00 0.00 H new ATOM 209 N ILE A 17 1.742 1.280 5.612 1.00 0.00 N ATOM 210 CA ILE A 17 2.937 1.056 4.845 1.00 0.00 C ATOM 211 C ILE A 17 4.088 1.643 5.657 1.00 0.00 C ATOM 212 O ILE A 17 3.880 2.535 6.492 1.00 0.00 O ATOM 213 CB ILE A 17 2.724 1.697 3.457 1.00 0.00 C ATOM 214 CG1 ILE A 17 3.808 1.287 2.453 1.00 0.00 C ATOM 215 CG2 ILE A 17 2.556 3.235 3.521 1.00 0.00 C ATOM 216 CD1 ILE A 17 3.719 -0.178 2.024 1.00 0.00 C ATOM 0 H ILE A 17 1.660 2.237 5.955 1.00 0.00 H new ATOM 0 HA ILE A 17 3.173 0.008 4.662 1.00 0.00 H new ATOM 0 HB ILE A 17 1.778 1.298 3.090 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.733 1.921 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.788 1.469 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 17 2.410 3.627 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.690 3.481 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.450 3.681 3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.516 -0.398 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.825 -0.820 2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.753 -0.361 1.554 1.00 0.00 H new ATOM 228 N GLU A 18 5.297 1.157 5.414 1.00 0.00 N ATOM 229 CA GLU A 18 6.513 1.806 5.846 1.00 0.00 C ATOM 230 C GLU A 18 7.534 1.688 4.732 1.00 0.00 C ATOM 231 O GLU A 18 7.702 0.608 4.153 1.00 0.00 O ATOM 232 CB GLU A 18 7.071 1.143 7.105 1.00 0.00 C ATOM 233 CG GLU A 18 6.413 1.622 8.398 1.00 0.00 C ATOM 234 CD GLU A 18 7.352 1.360 9.570 1.00 0.00 C ATOM 235 OE1 GLU A 18 8.428 2.008 9.630 1.00 0.00 O ATOM 236 OE2 GLU A 18 7.044 0.475 10.397 1.00 0.00 O ATOM 0 H GLU A 18 5.456 0.288 4.904 1.00 0.00 H new ATOM 0 HA GLU A 18 6.299 2.850 6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.944 0.064 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.142 1.335 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.185 2.686 8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.467 1.103 8.552 1.00 0.00 H new ATOM 243 N GLN A 19 8.261 2.773 4.487 1.00 0.00 N ATOM 244 CA GLN A 19 9.360 2.847 3.554 1.00 0.00 C ATOM 245 C GLN A 19 10.514 3.542 4.301 1.00 0.00 C ATOM 246 O GLN A 19 10.337 4.635 4.846 1.00 0.00 O ATOM 247 CB GLN A 19 8.912 3.599 2.280 1.00 0.00 C ATOM 248 CG GLN A 19 7.553 3.166 1.685 1.00 0.00 C ATOM 249 CD GLN A 19 6.368 4.029 2.131 1.00 0.00 C ATOM 250 OE1 GLN A 19 5.684 3.725 3.102 1.00 0.00 O ATOM 251 NE2 GLN A 19 6.069 5.087 1.397 1.00 0.00 N ATOM 0 H GLN A 19 8.086 3.660 4.959 1.00 0.00 H new ATOM 0 HA GLN A 19 9.694 1.867 3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.865 4.664 2.508 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.679 3.470 1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.620 3.195 0.597 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.360 2.131 1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.646 5.329 0.592 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.261 5.662 1.636 1.00 0.00 H new ATOM 260 N SER A 20 11.690 2.914 4.389 1.00 0.00 N ATOM 261 CA SER A 20 12.885 3.539 4.967 1.00 0.00 C ATOM 262 C SER A 20 14.078 3.354 4.023 1.00 0.00 C ATOM 263 O SER A 20 13.886 2.950 2.868 1.00 0.00 O ATOM 264 CB SER A 20 13.116 3.058 6.413 1.00 0.00 C ATOM 265 OG SER A 20 13.697 1.764 6.472 1.00 0.00 O ATOM 0 H SER A 20 11.841 1.960 4.062 1.00 0.00 H new ATOM 0 HA SER A 20 12.742 4.616 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.764 3.767 6.929 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.165 3.050 6.945 1.00 0.00 H new ATOM 0 HG SER A 20 13.825 1.505 7.409 1.00 0.00 H new ATOM 271 N GLY A 21 15.291 3.664 4.494 1.00 0.00 N ATOM 272 CA GLY A 21 16.530 3.636 3.734 1.00 0.00 C ATOM 273 C GLY A 21 16.361 4.464 2.480 1.00 0.00 C ATOM 274 O GLY A 21 16.085 5.664 2.569 1.00 0.00 O ATOM 0 H GLY A 21 15.434 3.954 5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.349 4.029 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.789 2.609 3.475 1.00 0.00 H new ATOM 278 N ASP A 22 16.462 3.825 1.321 1.00 0.00 N ATOM 279 CA ASP A 22 16.440 4.514 0.033 1.00 0.00 C ATOM 280 C ASP A 22 15.153 4.165 -0.700 1.00 0.00 C ATOM 281 O ASP A 22 15.115 3.467 -1.717 1.00 0.00 O ATOM 282 CB ASP A 22 17.711 4.246 -0.770 1.00 0.00 C ATOM 283 CG ASP A 22 18.854 5.148 -0.328 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.996 6.260 -0.879 1.00 0.00 O ATOM 285 OD2 ASP A 22 19.653 4.729 0.540 1.00 0.00 O ATOM 0 H ASP A 22 16.562 2.813 1.246 1.00 0.00 H new ATOM 0 HA ASP A 22 16.438 5.593 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.004 3.203 -0.652 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.512 4.403 -1.830 1.00 0.00 H new ATOM 290 N PHE A 23 14.053 4.679 -0.160 1.00 0.00 N ATOM 291 CA PHE A 23 12.717 4.470 -0.697 1.00 0.00 C ATOM 292 C PHE A 23 12.470 5.197 -2.020 1.00 0.00 C ATOM 293 O PHE A 23 11.423 4.975 -2.613 1.00 0.00 O ATOM 294 CB PHE A 23 11.668 4.899 0.340 1.00 0.00 C ATOM 295 CG PHE A 23 11.687 6.367 0.734 1.00 0.00 C ATOM 296 CD1 PHE A 23 11.282 7.372 -0.170 1.00 0.00 C ATOM 297 CD2 PHE A 23 12.106 6.733 2.025 1.00 0.00 C ATOM 298 CE1 PHE A 23 11.353 8.725 0.198 1.00 0.00 C ATOM 299 CE2 PHE A 23 12.140 8.085 2.402 1.00 0.00 C ATOM 300 CZ PHE A 23 11.773 9.086 1.488 1.00 0.00 C ATOM 0 H PHE A 23 14.067 5.262 0.677 1.00 0.00 H new ATOM 0 HA PHE A 23 12.629 3.405 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.679 4.660 -0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.808 4.299 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.916 7.099 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.403 5.971 2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 23 11.083 9.491 -0.514 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.450 8.357 3.400 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.814 10.126 1.775 1.00 0.00 H new ATOM 310 N ARG A 24 13.409 5.986 -2.545 1.00 0.00 N ATOM 311 CA ARG A 24 13.268 6.691 -3.821 1.00 0.00 C ATOM 312 C ARG A 24 14.383 6.280 -4.781 1.00 0.00 C ATOM 313 O ARG A 24 15.124 7.124 -5.273 1.00 0.00 O ATOM 314 CB ARG A 24 13.169 8.210 -3.582 1.00 0.00 C ATOM 315 CG ARG A 24 14.288 8.773 -2.695 1.00 0.00 C ATOM 316 CD ARG A 24 14.301 10.300 -2.742 1.00 0.00 C ATOM 317 NE ARG A 24 15.309 10.822 -1.816 1.00 0.00 N ATOM 318 CZ ARG A 24 16.617 10.996 -2.017 1.00 0.00 C ATOM 319 NH1 ARG A 24 17.168 10.755 -3.200 1.00 0.00 N ATOM 320 NH2 ARG A 24 17.364 11.415 -1.004 1.00 0.00 N ATOM 0 H ARG A 24 14.305 6.156 -2.088 1.00 0.00 H new ATOM 0 HA ARG A 24 12.336 6.403 -4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.189 8.722 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.206 8.434 -3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.147 8.437 -1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.251 8.386 -3.028 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.516 10.639 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.317 10.688 -2.478 1.00 0.00 H new ATOM 0 HE ARG A 24 14.965 11.088 -0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.590 10.431 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.170 10.894 -3.334 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.936 11.597 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.366 11.555 -1.133 1.00 0.00 H new ATOM 334 N SER A 25 14.564 4.977 -4.988 1.00 0.00 N ATOM 335 CA SER A 25 15.611 4.432 -5.844 1.00 0.00 C ATOM 336 C SER A 25 15.120 3.241 -6.674 1.00 0.00 C ATOM 337 O SER A 25 15.889 2.726 -7.491 1.00 0.00 O ATOM 338 CB SER A 25 16.814 4.057 -4.968 1.00 0.00 C ATOM 339 OG SER A 25 17.990 4.036 -5.752 1.00 0.00 O ATOM 0 H SER A 25 13.978 4.261 -4.559 1.00 0.00 H new ATOM 0 HA SER A 25 15.910 5.192 -6.567 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.921 4.775 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.653 3.080 -4.512 1.00 0.00 H new ATOM 0 HG SER A 25 17.796 3.627 -6.621 1.00 0.00 H new ATOM 345 N PHE A 26 13.869 2.821 -6.490 1.00 0.00 N ATOM 346 CA PHE A 26 13.175 1.775 -7.216 1.00 0.00 C ATOM 347 C PHE A 26 11.824 2.352 -7.647 1.00 0.00 C ATOM 348 O PHE A 26 11.378 3.321 -7.040 1.00 0.00 O ATOM 349 CB PHE A 26 12.947 0.565 -6.299 1.00 0.00 C ATOM 350 CG PHE A 26 14.143 0.067 -5.510 1.00 0.00 C ATOM 351 CD1 PHE A 26 15.148 -0.663 -6.165 1.00 0.00 C ATOM 352 CD2 PHE A 26 14.217 0.262 -4.114 1.00 0.00 C ATOM 353 CE1 PHE A 26 16.224 -1.191 -5.431 1.00 0.00 C ATOM 354 CE2 PHE A 26 15.269 -0.303 -3.377 1.00 0.00 C ATOM 355 CZ PHE A 26 16.277 -1.031 -4.036 1.00 0.00 C ATOM 0 H PHE A 26 13.275 3.239 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 26 13.758 1.448 -8.077 1.00 0.00 H new ATOM 0 HB2 PHE A 26 12.156 0.819 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A 26 12.577 -0.258 -6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.094 -0.819 -7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.462 0.848 -3.612 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.014 -1.722 -5.942 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.305 -0.179 -2.305 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.089 -1.465 -3.471 1.00 0.00 H new ATOM 365 N ILE A 27 11.137 1.750 -8.622 1.00 0.00 N ATOM 366 CA ILE A 27 10.011 2.391 -9.316 1.00 0.00 C ATOM 367 C ILE A 27 8.689 1.709 -8.937 1.00 0.00 C ATOM 368 O ILE A 27 8.219 0.827 -9.657 1.00 0.00 O ATOM 369 CB ILE A 27 10.284 2.415 -10.844 1.00 0.00 C ATOM 370 CG1 ILE A 27 11.708 2.890 -11.212 1.00 0.00 C ATOM 371 CG2 ILE A 27 9.276 3.302 -11.591 1.00 0.00 C ATOM 372 CD1 ILE A 27 12.090 4.291 -10.708 1.00 0.00 C ATOM 0 H ILE A 27 11.343 0.808 -8.953 1.00 0.00 H new ATOM 0 HA ILE A 27 9.914 3.429 -8.998 1.00 0.00 H new ATOM 0 HB ILE A 27 10.177 1.376 -11.155 1.00 0.00 H new ATOM 0 HG12 ILE A 27 12.425 2.172 -10.815 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.808 2.874 -12.297 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.502 3.291 -12.657 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.267 2.921 -11.430 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.342 4.323 -11.216 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.108 4.525 -11.021 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.403 5.028 -11.125 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.030 4.315 -9.620 1.00 0.00 H new ATOM 384 N LYS A 28 8.081 2.079 -7.806 1.00 0.00 N ATOM 385 CA LYS A 28 6.884 1.447 -7.225 1.00 0.00 C ATOM 386 C LYS A 28 5.640 2.336 -7.396 1.00 0.00 C ATOM 387 O LYS A 28 5.593 3.146 -8.318 1.00 0.00 O ATOM 388 CB LYS A 28 7.159 0.914 -5.799 1.00 0.00 C ATOM 389 CG LYS A 28 7.904 1.857 -4.849 1.00 0.00 C ATOM 390 CD LYS A 28 9.437 1.740 -4.943 1.00 0.00 C ATOM 391 CE LYS A 28 10.056 0.914 -3.811 1.00 0.00 C ATOM 392 NZ LYS A 28 9.962 -0.545 -4.028 1.00 0.00 N ATOM 0 H LYS A 28 8.421 2.859 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 28 6.637 0.548 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.204 0.654 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.734 -0.008 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.612 2.884 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.594 1.648 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.701 1.288 -5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.871 2.740 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.105 1.190 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.560 1.167 -2.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.399 -1.044 -3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.962 -0.821 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.459 -0.798 -4.906 1.00 0.00 H new ATOM 406 N SER A 29 4.552 2.076 -6.667 1.00 0.00 N ATOM 407 CA SER A 29 3.260 2.749 -6.811 1.00 0.00 C ATOM 408 C SER A 29 2.390 2.454 -5.590 1.00 0.00 C ATOM 409 O SER A 29 2.718 1.559 -4.803 1.00 0.00 O ATOM 410 CB SER A 29 2.558 2.285 -8.105 1.00 0.00 C ATOM 411 OG SER A 29 3.062 1.082 -8.684 1.00 0.00 O ATOM 0 H SER A 29 4.547 1.366 -5.935 1.00 0.00 H new ATOM 0 HA SER A 29 3.420 3.825 -6.878 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.498 2.148 -7.892 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.634 3.082 -8.844 1.00 0.00 H new ATOM 0 HG SER A 29 3.060 0.369 -8.011 1.00 0.00 H new ATOM 417 N VAL A 30 1.273 3.177 -5.452 1.00 0.00 N ATOM 418 CA VAL A 30 0.228 2.892 -4.480 1.00 0.00 C ATOM 419 C VAL A 30 -1.050 2.641 -5.274 1.00 0.00 C ATOM 420 O VAL A 30 -1.428 3.429 -6.147 1.00 0.00 O ATOM 421 CB VAL A 30 0.049 4.082 -3.525 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.989 3.790 -2.433 1.00 0.00 C ATOM 423 CG2 VAL A 30 1.361 4.493 -2.847 1.00 0.00 C ATOM 0 H VAL A 30 1.072 3.994 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 30 0.482 2.025 -3.870 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.300 4.903 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.084 4.658 -1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.953 3.576 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.668 2.929 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.178 5.338 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.750 3.655 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.089 4.779 -3.606 1.00 0.00 H new ATOM 433 N VAL A 31 -1.749 1.557 -4.966 1.00 0.00 N ATOM 434 CA VAL A 31 -3.019 1.205 -5.578 1.00 0.00 C ATOM 435 C VAL A 31 -3.980 0.839 -4.439 1.00 0.00 C ATOM 436 O VAL A 31 -4.531 -0.261 -4.413 1.00 0.00 O ATOM 437 CB VAL A 31 -2.850 0.105 -6.658 1.00 0.00 C ATOM 438 CG1 VAL A 31 -4.034 0.164 -7.630 1.00 0.00 C ATOM 439 CG2 VAL A 31 -1.542 0.181 -7.462 1.00 0.00 C ATOM 0 H VAL A 31 -1.439 0.883 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.442 2.043 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.814 -0.838 -6.113 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.919 -0.608 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.962 -0.001 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.064 1.143 -8.108 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.516 -0.629 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.489 1.138 -7.980 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.693 0.087 -6.785 1.00 0.00 H new ATOM 449 N VAL A 32 -4.189 1.740 -3.477 1.00 0.00 N ATOM 450 CA VAL A 32 -5.128 1.533 -2.390 1.00 0.00 C ATOM 451 C VAL A 32 -5.954 2.807 -2.202 1.00 0.00 C ATOM 452 O VAL A 32 -5.466 3.816 -1.702 1.00 0.00 O ATOM 453 CB VAL A 32 -4.417 0.958 -1.147 1.00 0.00 C ATOM 454 CG1 VAL A 32 -3.300 1.819 -0.552 1.00 0.00 C ATOM 455 CG2 VAL A 32 -5.443 0.617 -0.072 1.00 0.00 C ATOM 0 H VAL A 32 -3.705 2.637 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.859 0.758 -2.621 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.909 0.064 -1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.875 1.314 0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.522 1.973 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.707 2.783 -0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.933 0.212 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.987 1.518 0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.143 -0.123 -0.459 1.00 0.00 H new ATOM 465 N VAL A 33 -7.209 2.785 -2.657 1.00 0.00 N ATOM 466 CA VAL A 33 -8.151 3.891 -2.525 1.00 0.00 C ATOM 467 C VAL A 33 -9.556 3.289 -2.337 1.00 0.00 C ATOM 468 O VAL A 33 -9.672 2.080 -2.116 1.00 0.00 O ATOM 469 CB VAL A 33 -7.949 4.872 -3.706 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.703 4.499 -4.990 1.00 0.00 C ATOM 471 CG2 VAL A 33 -8.298 6.303 -3.289 1.00 0.00 C ATOM 0 H VAL A 33 -7.604 1.977 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.987 4.512 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.890 4.799 -3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.501 5.243 -5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.371 3.520 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.774 4.469 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.149 6.975 -4.134 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.340 6.346 -2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.654 6.609 -2.464 1.00 0.00 H new ATOM 481 N ALA A 34 -10.629 4.087 -2.369 1.00 0.00 N ATOM 482 CA ALA A 34 -11.999 3.586 -2.375 1.00 0.00 C ATOM 483 C ALA A 34 -12.687 4.020 -3.662 1.00 0.00 C ATOM 484 O ALA A 34 -12.699 5.204 -3.981 1.00 0.00 O ATOM 485 CB ALA A 34 -12.767 4.121 -1.168 1.00 0.00 C ATOM 0 H ALA A 34 -10.566 5.105 -2.392 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.982 2.498 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.787 3.738 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.275 3.797 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.788 5.210 -1.203 1.00 0.00 H new ATOM 491 N ASN A 35 -13.313 3.064 -4.348 1.00 0.00 N ATOM 492 CA ASN A 35 -14.068 3.264 -5.595 1.00 0.00 C ATOM 493 C ASN A 35 -15.457 3.906 -5.418 1.00 0.00 C ATOM 494 O ASN A 35 -16.291 3.850 -6.325 1.00 0.00 O ATOM 495 CB ASN A 35 -14.158 1.921 -6.349 1.00 0.00 C ATOM 496 CG ASN A 35 -13.297 1.932 -7.605 1.00 0.00 C ATOM 497 OD1 ASN A 35 -13.812 1.958 -8.716 1.00 0.00 O ATOM 498 ND2 ASN A 35 -11.980 1.880 -7.479 1.00 0.00 N ATOM 0 H ASN A 35 -13.311 2.091 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.513 3.996 -6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.838 1.111 -5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.195 1.722 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.389 1.861 -8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.557 1.859 -6.551 1.00 0.00 H new ATOM 505 N GLY A 36 -15.747 4.448 -4.233 1.00 0.00 N ATOM 506 CA GLY A 36 -17.022 5.080 -3.902 1.00 0.00 C ATOM 507 C GLY A 36 -16.902 6.191 -2.862 1.00 0.00 C ATOM 508 O GLY A 36 -17.386 7.300 -3.097 1.00 0.00 O ATOM 0 H GLY A 36 -15.083 4.459 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.461 5.491 -4.811 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -17.709 4.320 -3.531 1.00 0.00 H new ATOM 512 N THR A 37 -16.287 5.898 -1.712 1.00 0.00 N ATOM 513 CA THR A 37 -16.078 6.860 -0.631 1.00 0.00 C ATOM 514 C THR A 37 -14.698 7.526 -0.773 1.00 0.00 C ATOM 515 O THR A 37 -14.035 7.361 -1.802 1.00 0.00 O ATOM 516 CB THR A 37 -16.345 6.169 0.725 1.00 0.00 C ATOM 517 OG1 THR A 37 -16.559 7.102 1.765 1.00 0.00 O ATOM 518 CG2 THR A 37 -15.230 5.223 1.184 1.00 0.00 C ATOM 0 H THR A 37 -15.916 4.971 -1.505 1.00 0.00 H new ATOM 0 HA THR A 37 -16.790 7.684 -0.687 1.00 0.00 H new ATOM 0 HB THR A 37 -17.243 5.581 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.883 6.975 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.499 4.782 2.144 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.097 4.432 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.300 5.781 1.290 1.00 0.00 H new ATOM 526 N GLN A 38 -14.269 8.276 0.247 1.00 0.00 N ATOM 527 CA GLN A 38 -13.019 9.021 0.295 1.00 0.00 C ATOM 528 C GLN A 38 -11.987 8.338 1.198 1.00 0.00 C ATOM 529 O GLN A 38 -12.298 7.427 1.973 1.00 0.00 O ATOM 530 CB GLN A 38 -13.292 10.460 0.763 1.00 0.00 C ATOM 531 CG GLN A 38 -13.935 11.311 -0.337 1.00 0.00 C ATOM 532 CD GLN A 38 -14.711 12.512 0.202 1.00 0.00 C ATOM 533 OE1 GLN A 38 -15.429 12.434 1.197 1.00 0.00 O ATOM 534 NE2 GLN A 38 -14.636 13.654 -0.455 1.00 0.00 N ATOM 0 H GLN A 38 -14.816 8.381 1.102 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.596 9.046 -0.709 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -13.947 10.439 1.634 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.356 10.922 1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.157 11.664 -1.014 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.608 10.686 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.043 13.729 -1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.171 14.462 -0.136 1.00 0.00 H new ATOM 543 N LEU A 39 -10.751 8.826 1.086 1.00 0.00 N ATOM 544 CA LEU A 39 -9.577 8.416 1.845 1.00 0.00 C ATOM 545 C LEU A 39 -9.236 9.512 2.851 1.00 0.00 C ATOM 546 O LEU A 39 -9.402 10.702 2.564 1.00 0.00 O ATOM 547 CB LEU A 39 -8.398 8.154 0.875 1.00 0.00 C ATOM 548 CG LEU A 39 -7.871 6.708 0.821 1.00 0.00 C ATOM 549 CD1 LEU A 39 -7.090 6.338 2.080 1.00 0.00 C ATOM 550 CD2 LEU A 39 -8.971 5.667 0.583 1.00 0.00 C ATOM 0 H LEU A 39 -10.533 9.566 0.419 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.776 7.492 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.709 8.443 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.573 8.809 1.154 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.202 6.686 -0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.737 5.310 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.237 7.008 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.738 6.432 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.530 4.671 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.702 5.719 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.465 5.870 -0.367 1.00 0.00 H new ATOM 562 N LYS A 40 -8.780 9.102 4.030 1.00 0.00 N ATOM 563 CA LYS A 40 -8.358 9.933 5.144 1.00 0.00 C ATOM 564 C LYS A 40 -6.846 9.812 5.272 1.00 0.00 C ATOM 565 O LYS A 40 -6.318 8.701 5.167 1.00 0.00 O ATOM 566 CB LYS A 40 -9.081 9.453 6.414 1.00 0.00 C ATOM 567 CG LYS A 40 -8.645 10.194 7.684 1.00 0.00 C ATOM 568 CD LYS A 40 -9.305 9.620 8.942 1.00 0.00 C ATOM 569 CE LYS A 40 -10.782 10.013 9.018 1.00 0.00 C ATOM 570 NZ LYS A 40 -11.455 9.366 10.158 1.00 0.00 N ATOM 0 H LYS A 40 -8.691 8.109 4.244 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.611 10.982 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.155 9.579 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.899 8.386 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.561 10.134 7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.898 11.250 7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.214 8.534 8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.783 9.982 9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.867 11.096 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.283 9.732 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.454 9.654 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.394 8.333 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.992 9.654 11.044 1.00 0.00 H new ATOM 584 N ASP A 41 -6.157 10.932 5.491 1.00 0.00 N ATOM 585 CA ASP A 41 -4.709 10.944 5.693 1.00 0.00 C ATOM 586 C ASP A 41 -4.330 10.750 7.162 1.00 0.00 C ATOM 587 O ASP A 41 -5.041 11.208 8.058 1.00 0.00 O ATOM 588 CB ASP A 41 -4.099 12.249 5.182 1.00 0.00 C ATOM 589 CG ASP A 41 -2.589 12.219 5.400 1.00 0.00 C ATOM 590 OD1 ASP A 41 -1.948 11.279 4.883 1.00 0.00 O ATOM 591 OD2 ASP A 41 -2.095 13.069 6.174 1.00 0.00 O ATOM 0 H ASP A 41 -6.587 11.856 5.533 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.308 10.105 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.323 12.378 4.123 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.537 13.098 5.706 1.00 0.00 H new ATOM 596 N GLY A 42 -3.171 10.133 7.403 1.00 0.00 N ATOM 597 CA GLY A 42 -2.680 9.767 8.724 1.00 0.00 C ATOM 598 C GLY A 42 -1.853 10.848 9.418 1.00 0.00 C ATOM 599 O GLY A 42 -1.343 10.578 10.507 1.00 0.00 O ATOM 0 H GLY A 42 -2.530 9.868 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.531 9.517 9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.074 8.866 8.635 1.00 0.00 H new ATOM 603 N ALA A 43 -1.625 12.025 8.820 1.00 0.00 N ATOM 604 CA ALA A 43 -0.983 13.124 9.537 1.00 0.00 C ATOM 605 C ALA A 43 -1.985 13.826 10.455 1.00 0.00 C ATOM 606 O ALA A 43 -1.607 14.243 11.553 1.00 0.00 O ATOM 607 CB ALA A 43 -0.377 14.143 8.568 1.00 0.00 C ATOM 0 H ALA A 43 -1.874 12.235 7.853 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.180 12.697 10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.093 14.948 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.371 13.653 7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.163 14.555 7.935 1.00 0.00 H new ATOM 613 N THR A 44 -3.233 13.977 10.009 1.00 0.00 N ATOM 614 CA THR A 44 -4.210 14.920 10.561 1.00 0.00 C ATOM 615 C THR A 44 -5.646 14.391 10.553 1.00 0.00 C ATOM 616 O THR A 44 -6.538 15.061 11.077 1.00 0.00 O ATOM 617 CB THR A 44 -4.148 16.223 9.737 1.00 0.00 C ATOM 618 OG1 THR A 44 -3.933 15.907 8.369 1.00 0.00 O ATOM 619 CG2 THR A 44 -3.030 17.128 10.249 1.00 0.00 C ATOM 0 H THR A 44 -3.604 13.431 9.231 1.00 0.00 H new ATOM 0 HA THR A 44 -3.946 15.085 11.606 1.00 0.00 H new ATOM 0 HB THR A 44 -5.094 16.755 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.895 16.734 7.844 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.001 18.042 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.215 17.379 11.294 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.075 16.610 10.164 1.00 0.00 H new ATOM 627 N GLY A 45 -5.916 13.220 9.972 1.00 0.00 N ATOM 628 CA GLY A 45 -7.279 12.750 9.802 1.00 0.00 C ATOM 629 C GLY A 45 -8.064 13.617 8.814 1.00 0.00 C ATOM 630 O GLY A 45 -9.293 13.657 8.898 1.00 0.00 O ATOM 0 H GLY A 45 -5.203 12.584 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.266 11.719 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.786 12.750 10.767 1.00 0.00 H new ATOM 634 N GLU A 46 -7.392 14.333 7.905 1.00 0.00 N ATOM 635 CA GLU A 46 -8.050 15.151 6.888 1.00 0.00 C ATOM 636 C GLU A 46 -8.824 14.258 5.930 1.00 0.00 C ATOM 637 O GLU A 46 -8.504 13.077 5.788 1.00 0.00 O ATOM 638 CB GLU A 46 -7.012 15.945 6.091 1.00 0.00 C ATOM 639 CG GLU A 46 -6.495 17.169 6.851 1.00 0.00 C ATOM 640 CD GLU A 46 -7.421 18.358 6.625 1.00 0.00 C ATOM 641 OE1 GLU A 46 -7.226 19.069 5.609 1.00 0.00 O ATOM 642 OE2 GLU A 46 -8.350 18.583 7.433 1.00 0.00 O ATOM 0 H GLU A 46 -6.373 14.359 7.857 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.730 15.841 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.173 15.294 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.453 16.267 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.432 16.945 7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.487 17.415 6.517 1.00 0.00 H new ATOM 649 N SER A 47 -9.797 14.840 5.231 1.00 0.00 N ATOM 650 CA SER A 47 -10.625 14.157 4.261 1.00 0.00 C ATOM 651 C SER A 47 -10.293 14.606 2.844 1.00 0.00 C ATOM 652 O SER A 47 -10.645 15.705 2.409 1.00 0.00 O ATOM 653 CB SER A 47 -12.107 14.279 4.611 1.00 0.00 C ATOM 654 OG SER A 47 -12.486 15.481 5.266 1.00 0.00 O ATOM 0 H SER A 47 -10.031 15.828 5.333 1.00 0.00 H new ATOM 0 HA SER A 47 -10.399 13.091 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.687 14.188 3.693 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.382 13.438 5.247 1.00 0.00 H new ATOM 0 HG SER A 47 -13.449 15.466 5.446 1.00 0.00 H new ATOM 660 N LEU A 48 -9.583 13.737 2.129 1.00 0.00 N ATOM 661 CA LEU A 48 -9.103 13.974 0.783 1.00 0.00 C ATOM 662 C LEU A 48 -10.164 13.482 -0.191 1.00 0.00 C ATOM 663 O LEU A 48 -11.252 13.051 0.208 1.00 0.00 O ATOM 664 CB LEU A 48 -7.739 13.278 0.594 1.00 0.00 C ATOM 665 CG LEU A 48 -6.564 13.875 1.400 1.00 0.00 C ATOM 666 CD1 LEU A 48 -6.428 15.389 1.225 1.00 0.00 C ATOM 667 CD2 LEU A 48 -6.597 13.564 2.900 1.00 0.00 C ATOM 0 H LEU A 48 -9.321 12.819 2.489 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.940 15.035 0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.847 12.228 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.481 13.307 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.696 13.374 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.586 15.749 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.259 15.620 0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.342 15.878 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.735 14.022 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.513 13.964 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.566 12.485 3.049 1.00 0.00 H new ATOM 679 N ALA A 49 -9.894 13.615 -1.483 1.00 0.00 N ATOM 680 CA ALA A 49 -10.765 13.113 -2.527 1.00 0.00 C ATOM 681 C ALA A 49 -10.536 11.613 -2.710 1.00 0.00 C ATOM 682 O ALA A 49 -9.650 11.020 -2.090 1.00 0.00 O ATOM 683 CB ALA A 49 -10.441 13.876 -3.808 1.00 0.00 C ATOM 0 H ALA A 49 -9.056 14.079 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.813 13.260 -2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.081 13.520 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.613 14.941 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.397 13.713 -4.075 1.00 0.00 H new ATOM 689 N SER A 50 -11.319 10.978 -3.581 1.00 0.00 N ATOM 690 CA SER A 50 -11.006 9.671 -4.143 1.00 0.00 C ATOM 691 C SER A 50 -11.779 9.482 -5.455 1.00 0.00 C ATOM 692 O SER A 50 -12.889 10.014 -5.557 1.00 0.00 O ATOM 693 CB SER A 50 -11.391 8.564 -3.162 1.00 0.00 C ATOM 694 OG SER A 50 -10.516 8.534 -2.054 1.00 0.00 O ATOM 0 H SER A 50 -12.200 11.365 -3.919 1.00 0.00 H new ATOM 0 HA SER A 50 -9.934 9.616 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.413 8.720 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.370 7.600 -3.671 1.00 0.00 H new ATOM 0 HG SER A 50 -9.869 9.267 -2.128 1.00 0.00 H new ATOM 700 N PRO A 51 -11.293 8.662 -6.402 1.00 0.00 N ATOM 701 CA PRO A 51 -9.986 8.014 -6.378 1.00 0.00 C ATOM 702 C PRO A 51 -8.860 9.053 -6.484 1.00 0.00 C ATOM 703 O PRO A 51 -9.094 10.213 -6.828 1.00 0.00 O ATOM 704 CB PRO A 51 -10.001 7.015 -7.539 1.00 0.00 C ATOM 705 CG PRO A 51 -10.994 7.624 -8.522 1.00 0.00 C ATOM 706 CD PRO A 51 -12.002 8.341 -7.628 1.00 0.00 C ATOM 0 HA PRO A 51 -9.794 7.493 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.013 6.903 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.317 6.024 -7.212 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.505 8.316 -9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.474 6.858 -9.131 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.377 9.244 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.864 7.706 -7.425 1.00 0.00 H new ATOM 714 N VAL A 52 -7.665 8.652 -6.062 1.00 0.00 N ATOM 715 CA VAL A 52 -6.459 9.453 -5.983 1.00 0.00 C ATOM 716 C VAL A 52 -5.291 8.464 -5.955 1.00 0.00 C ATOM 717 O VAL A 52 -4.817 8.055 -4.894 1.00 0.00 O ATOM 718 CB VAL A 52 -6.550 10.431 -4.792 1.00 0.00 C ATOM 719 CG1 VAL A 52 -6.939 9.826 -3.429 1.00 0.00 C ATOM 720 CG2 VAL A 52 -5.257 11.244 -4.680 1.00 0.00 C ATOM 0 H VAL A 52 -7.508 7.695 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.310 10.111 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.396 11.075 -5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.968 10.614 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.921 9.360 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.203 9.076 -3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.331 11.931 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.415 10.569 -4.525 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.103 11.811 -5.598 1.00 0.00 H new ATOM 730 N ILE A 53 -4.915 7.971 -7.133 1.00 0.00 N ATOM 731 CA ILE A 53 -3.970 6.866 -7.280 1.00 0.00 C ATOM 732 C ILE A 53 -2.573 7.464 -7.451 1.00 0.00 C ATOM 733 O ILE A 53 -2.397 8.382 -8.260 1.00 0.00 O ATOM 734 CB ILE A 53 -4.415 5.930 -8.430 1.00 0.00 C ATOM 735 CG1 ILE A 53 -5.771 5.273 -8.082 1.00 0.00 C ATOM 736 CG2 ILE A 53 -3.361 4.839 -8.691 1.00 0.00 C ATOM 737 CD1 ILE A 53 -6.455 4.568 -9.258 1.00 0.00 C ATOM 0 H ILE A 53 -5.262 8.331 -8.022 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.946 6.230 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.523 6.529 -9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.615 4.550 -7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.442 6.039 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.698 4.195 -9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.415 5.305 -8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.223 4.243 -7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.399 4.136 -8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.647 5.289 -10.053 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.807 3.777 -9.635 1.00 0.00 H new ATOM 749 N LEU A 54 -1.601 6.961 -6.679 1.00 0.00 N ATOM 750 CA LEU A 54 -0.268 7.554 -6.554 1.00 0.00 C ATOM 751 C LEU A 54 0.779 6.698 -7.244 1.00 0.00 C ATOM 752 O LEU A 54 0.702 5.465 -7.266 1.00 0.00 O ATOM 753 CB LEU A 54 0.149 7.730 -5.086 1.00 0.00 C ATOM 754 CG LEU A 54 -0.878 8.441 -4.197 1.00 0.00 C ATOM 755 CD1 LEU A 54 -0.336 8.515 -2.771 1.00 0.00 C ATOM 756 CD2 LEU A 54 -1.137 9.846 -4.730 1.00 0.00 C ATOM 0 H LEU A 54 -1.723 6.119 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.326 8.533 -7.030 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.354 6.747 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.083 8.291 -5.055 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.816 7.886 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.061 9.020 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.161 7.507 -2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.601 9.072 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.867 10.347 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.206 10.413 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.523 9.784 -5.747 1.00 0.00 H new ATOM 768 N SER A 55 1.802 7.375 -7.735 1.00 0.00 N ATOM 769 CA SER A 55 2.846 6.845 -8.591 1.00 0.00 C ATOM 770 C SER A 55 4.170 6.818 -7.814 1.00 0.00 C ATOM 771 O SER A 55 4.210 7.265 -6.664 1.00 0.00 O ATOM 772 CB SER A 55 2.882 7.691 -9.881 1.00 0.00 C ATOM 773 OG SER A 55 1.692 8.438 -10.129 1.00 0.00 O ATOM 0 H SER A 55 1.933 8.367 -7.535 1.00 0.00 H new ATOM 0 HA SER A 55 2.655 5.814 -8.890 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.724 8.381 -9.825 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.066 7.031 -10.729 1.00 0.00 H new ATOM 0 HG SER A 55 1.651 9.201 -9.516 1.00 0.00 H new ATOM 779 N ASP A 56 5.255 6.296 -8.396 1.00 0.00 N ATOM 780 CA ASP A 56 6.546 6.263 -7.696 1.00 0.00 C ATOM 781 C ASP A 56 6.998 7.674 -7.331 1.00 0.00 C ATOM 782 O ASP A 56 7.501 7.921 -6.239 1.00 0.00 O ATOM 783 CB ASP A 56 7.682 5.645 -8.516 1.00 0.00 C ATOM 784 CG ASP A 56 8.856 5.455 -7.557 1.00 0.00 C ATOM 785 OD1 ASP A 56 8.714 4.591 -6.662 1.00 0.00 O ATOM 786 OD2 ASP A 56 9.864 6.186 -7.680 1.00 0.00 O ATOM 0 H ASP A 56 5.268 5.896 -9.334 1.00 0.00 H new ATOM 0 HA ASP A 56 6.365 5.645 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.375 4.692 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.960 6.295 -9.345 1.00 0.00 H new ATOM 791 N GLU A 57 6.744 8.611 -8.246 1.00 0.00 N ATOM 792 CA GLU A 57 7.068 10.020 -8.113 1.00 0.00 C ATOM 793 C GLU A 57 6.431 10.620 -6.855 1.00 0.00 C ATOM 794 O GLU A 57 6.960 11.565 -6.273 1.00 0.00 O ATOM 795 CB GLU A 57 6.554 10.766 -9.357 1.00 0.00 C ATOM 796 CG GLU A 57 7.301 10.447 -10.666 1.00 0.00 C ATOM 797 CD GLU A 57 7.044 9.058 -11.276 1.00 0.00 C ATOM 798 OE1 GLU A 57 5.982 8.433 -11.055 1.00 0.00 O ATOM 799 OE2 GLU A 57 7.893 8.599 -12.077 1.00 0.00 O ATOM 0 H GLU A 57 6.289 8.394 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 57 8.149 10.125 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.499 10.530 -9.493 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.620 11.838 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.032 11.201 -11.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.371 10.548 -10.483 1.00 0.00 H new ATOM 806 N GLU A 58 5.274 10.102 -6.447 1.00 0.00 N ATOM 807 CA GLU A 58 4.489 10.592 -5.322 1.00 0.00 C ATOM 808 C GLU A 58 4.832 9.839 -4.034 1.00 0.00 C ATOM 809 O GLU A 58 4.533 10.320 -2.944 1.00 0.00 O ATOM 810 CB GLU A 58 3.006 10.447 -5.682 1.00 0.00 C ATOM 811 CG GLU A 58 2.610 11.425 -6.798 1.00 0.00 C ATOM 812 CD GLU A 58 1.254 11.070 -7.382 1.00 0.00 C ATOM 813 OE1 GLU A 58 1.191 10.123 -8.206 1.00 0.00 O ATOM 814 OE2 GLU A 58 0.256 11.716 -6.995 1.00 0.00 O ATOM 0 H GLU A 58 4.844 9.301 -6.909 1.00 0.00 H new ATOM 0 HA GLU A 58 4.721 11.640 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.804 9.425 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.394 10.631 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.584 12.441 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.364 11.408 -7.585 1.00 0.00 H new ATOM 821 N LEU A 59 5.527 8.702 -4.123 1.00 0.00 N ATOM 822 CA LEU A 59 6.064 7.948 -2.990 1.00 0.00 C ATOM 823 C LEU A 59 7.373 8.583 -2.480 1.00 0.00 C ATOM 824 O LEU A 59 8.231 7.902 -1.913 1.00 0.00 O ATOM 825 CB LEU A 59 6.237 6.468 -3.392 1.00 0.00 C ATOM 826 CG LEU A 59 4.959 5.632 -3.241 1.00 0.00 C ATOM 827 CD1 LEU A 59 5.144 4.281 -3.939 1.00 0.00 C ATOM 828 CD2 LEU A 59 4.660 5.367 -1.758 1.00 0.00 C ATOM 0 H LEU A 59 5.738 8.266 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 59 5.361 7.985 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.572 6.419 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.024 6.025 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 59 4.134 6.186 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.236 3.688 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.348 4.443 -4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.980 3.749 -3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.750 4.773 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.492 4.824 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.525 6.316 -1.239 1.00 0.00 H new ATOM 840 N ALA A 60 7.508 9.906 -2.599 1.00 0.00 N ATOM 841 CA ALA A 60 8.617 10.732 -2.126 1.00 0.00 C ATOM 842 C ALA A 60 8.645 10.860 -0.589 1.00 0.00 C ATOM 843 O ALA A 60 9.038 11.898 -0.044 1.00 0.00 O ATOM 844 CB ALA A 60 8.492 12.105 -2.799 1.00 0.00 C ATOM 0 H ALA A 60 6.793 10.467 -3.062 1.00 0.00 H new ATOM 0 HA ALA A 60 9.561 10.258 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.307 12.748 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.542 11.986 -3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.538 12.558 -2.528 1.00 0.00 H new ATOM 850 N VAL A 61 8.184 9.849 0.143 1.00 0.00 N ATOM 851 CA VAL A 61 7.857 9.907 1.558 1.00 0.00 C ATOM 852 C VAL A 61 8.241 8.601 2.253 1.00 0.00 C ATOM 853 O VAL A 61 8.337 7.544 1.625 1.00 0.00 O ATOM 854 CB VAL A 61 6.352 10.217 1.719 1.00 0.00 C ATOM 855 CG1 VAL A 61 6.067 11.697 1.438 1.00 0.00 C ATOM 856 CG2 VAL A 61 5.440 9.358 0.822 1.00 0.00 C ATOM 0 H VAL A 61 8.022 8.925 -0.257 1.00 0.00 H new ATOM 0 HA VAL A 61 8.429 10.704 2.034 1.00 0.00 H new ATOM 0 HB VAL A 61 6.118 9.970 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.001 11.891 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.629 12.315 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.368 11.938 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.399 9.634 0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.695 9.528 -0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.580 8.304 1.063 1.00 0.00 H new ATOM 866 N GLU A 62 8.449 8.699 3.566 1.00 0.00 N ATOM 867 CA GLU A 62 8.772 7.583 4.439 1.00 0.00 C ATOM 868 C GLU A 62 7.565 6.693 4.706 1.00 0.00 C ATOM 869 O GLU A 62 7.554 5.542 4.307 1.00 0.00 O ATOM 870 CB GLU A 62 9.268 8.125 5.789 1.00 0.00 C ATOM 871 CG GLU A 62 10.736 8.509 5.765 1.00 0.00 C ATOM 872 CD GLU A 62 11.246 8.770 7.183 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.311 7.814 7.989 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.494 9.942 7.541 1.00 0.00 O ATOM 0 H GLU A 62 8.394 9.589 4.062 1.00 0.00 H new ATOM 0 HA GLU A 62 9.537 6.990 3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.674 8.996 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.107 7.371 6.559 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.319 7.712 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.875 9.400 5.153 1.00 0.00 H new ATOM 881 N LYS A 63 6.604 7.151 5.511 1.00 0.00 N ATOM 882 CA LYS A 63 5.517 6.287 5.986 1.00 0.00 C ATOM 883 C LYS A 63 4.304 7.085 6.467 1.00 0.00 C ATOM 884 O LYS A 63 4.432 8.277 6.755 1.00 0.00 O ATOM 885 CB LYS A 63 6.067 5.372 7.093 1.00 0.00 C ATOM 886 CG LYS A 63 6.202 6.080 8.442 1.00 0.00 C ATOM 887 CD LYS A 63 7.300 5.495 9.347 1.00 0.00 C ATOM 888 CE LYS A 63 8.676 6.037 8.984 1.00 0.00 C ATOM 889 NZ LYS A 63 8.913 7.443 9.375 1.00 0.00 N ATOM 0 H LYS A 63 6.555 8.112 5.848 1.00 0.00 H new ATOM 0 HA LYS A 63 5.159 5.682 5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.408 4.511 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.042 4.990 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.413 7.135 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.247 6.028 8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.078 5.732 10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.302 4.408 9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.433 5.411 9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.814 5.946 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.853 7.742 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.186 8.050 8.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.867 7.528 10.411 1.00 0.00 H new ATOM 903 N VAL A 64 3.163 6.408 6.612 1.00 0.00 N ATOM 904 CA VAL A 64 1.865 6.951 7.031 1.00 0.00 C ATOM 905 C VAL A 64 0.893 5.784 7.312 1.00 0.00 C ATOM 906 O VAL A 64 1.239 4.621 7.056 1.00 0.00 O ATOM 907 CB VAL A 64 1.356 7.942 5.949 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.947 7.259 4.638 1.00 0.00 C ATOM 909 CG2 VAL A 64 0.240 8.871 6.453 1.00 0.00 C ATOM 0 H VAL A 64 3.116 5.406 6.430 1.00 0.00 H new ATOM 0 HA VAL A 64 1.950 7.516 7.959 1.00 0.00 H new ATOM 0 HB VAL A 64 2.222 8.566 5.728 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.602 8.011 3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.804 6.732 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.144 6.548 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.070 9.538 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.612 8.274 6.778 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.609 9.462 7.291 1.00 0.00 H new ATOM 919 N THR A 65 -0.321 6.077 7.786 1.00 0.00 N ATOM 920 CA THR A 65 -1.412 5.124 7.993 1.00 0.00 C ATOM 921 C THR A 65 -2.683 5.718 7.386 1.00 0.00 C ATOM 922 O THR A 65 -3.119 6.794 7.805 1.00 0.00 O ATOM 923 CB THR A 65 -1.610 4.863 9.486 1.00 0.00 C ATOM 924 OG1 THR A 65 -0.375 4.540 10.092 1.00 0.00 O ATOM 925 CG2 THR A 65 -2.611 3.728 9.719 1.00 0.00 C ATOM 0 H THR A 65 -0.581 7.028 8.047 1.00 0.00 H new ATOM 0 HA THR A 65 -1.176 4.174 7.514 1.00 0.00 H new ATOM 0 HB THR A 65 -2.008 5.772 9.936 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.513 4.376 11.048 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.732 3.564 10.790 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.573 3.996 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.241 2.815 9.252 1.00 0.00 H new ATOM 933 N LEU A 66 -3.283 5.044 6.409 1.00 0.00 N ATOM 934 CA LEU A 66 -4.380 5.582 5.610 1.00 0.00 C ATOM 935 C LEU A 66 -5.643 4.768 5.887 1.00 0.00 C ATOM 936 O LEU A 66 -5.562 3.549 6.066 1.00 0.00 O ATOM 937 CB LEU A 66 -3.979 5.497 4.127 1.00 0.00 C ATOM 938 CG LEU A 66 -2.866 6.485 3.720 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.016 5.909 2.585 1.00 0.00 C ATOM 940 CD2 LEU A 66 -3.457 7.821 3.264 1.00 0.00 C ATOM 0 H LEU A 66 -3.017 4.095 6.146 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.582 6.622 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.647 4.482 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.859 5.684 3.512 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.241 6.648 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.238 6.623 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.555 4.977 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.648 5.716 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.651 8.499 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.109 7.657 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.033 8.261 4.078 1.00 0.00 H new ATOM 952 N SER A 67 -6.824 5.395 5.890 1.00 0.00 N ATOM 953 CA SER A 67 -8.077 4.684 6.118 1.00 0.00 C ATOM 954 C SER A 67 -9.218 5.388 5.389 1.00 0.00 C ATOM 955 O SER A 67 -9.079 6.523 4.949 1.00 0.00 O ATOM 956 CB SER A 67 -8.336 4.578 7.622 1.00 0.00 C ATOM 957 OG SER A 67 -9.459 3.772 7.946 1.00 0.00 O ATOM 0 H SER A 67 -6.934 6.397 5.736 1.00 0.00 H new ATOM 0 HA SER A 67 -8.010 3.673 5.717 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.451 4.167 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.487 5.578 8.028 1.00 0.00 H new ATOM 0 HG SER A 67 -9.506 3.012 7.328 1.00 0.00 H new ATOM 963 N THR A 68 -10.365 4.736 5.262 1.00 0.00 N ATOM 964 CA THR A 68 -11.538 5.277 4.604 1.00 0.00 C ATOM 965 C THR A 68 -12.450 5.978 5.610 1.00 0.00 C ATOM 966 O THR A 68 -12.283 5.846 6.832 1.00 0.00 O ATOM 967 CB THR A 68 -12.250 4.134 3.865 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.167 2.876 4.532 1.00 0.00 O ATOM 969 CG2 THR A 68 -11.644 3.926 2.484 1.00 0.00 C ATOM 0 H THR A 68 -10.506 3.793 5.624 1.00 0.00 H new ATOM 0 HA THR A 68 -11.249 6.036 3.877 1.00 0.00 H new ATOM 0 HB THR A 68 -13.293 4.445 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.319 3.004 5.492 1.00 0.00 H new ATOM 0 HG21 THR A 68 -12.163 3.112 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 68 -11.747 4.841 1.900 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.588 3.676 2.584 1.00 0.00 H new ATOM 977 N THR A 69 -13.450 6.685 5.095 1.00 0.00 N ATOM 978 CA THR A 69 -14.427 7.410 5.891 1.00 0.00 C ATOM 979 C THR A 69 -15.796 6.702 5.938 1.00 0.00 C ATOM 980 O THR A 69 -16.504 6.804 6.944 1.00 0.00 O ATOM 981 CB THR A 69 -14.512 8.825 5.309 1.00 0.00 C ATOM 982 OG1 THR A 69 -14.872 8.773 3.942 1.00 0.00 O ATOM 983 CG2 THR A 69 -13.172 9.568 5.398 1.00 0.00 C ATOM 0 H THR A 69 -13.605 6.770 4.090 1.00 0.00 H new ATOM 0 HA THR A 69 -14.112 7.450 6.934 1.00 0.00 H new ATOM 0 HB THR A 69 -15.262 9.354 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.925 9.683 3.583 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.281 10.566 4.974 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.869 9.649 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.413 9.018 4.842 1.00 0.00 H new ATOM 991 N GLY A 70 -16.167 5.952 4.889 1.00 0.00 N ATOM 992 CA GLY A 70 -17.479 5.324 4.744 1.00 0.00 C ATOM 993 C GLY A 70 -17.379 3.867 4.321 1.00 0.00 C ATOM 994 O GLY A 70 -17.054 3.023 5.155 1.00 0.00 O ATOM 0 H GLY A 70 -15.545 5.764 4.103 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.017 5.389 5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.063 5.875 4.007 1.00 0.00 H new ATOM 998 N LYS A 71 -17.684 3.547 3.055 1.00 0.00 N ATOM 999 CA LYS A 71 -17.630 2.174 2.553 1.00 0.00 C ATOM 1000 C LYS A 71 -16.898 2.107 1.222 1.00 0.00 C ATOM 1001 O LYS A 71 -17.258 2.776 0.255 1.00 0.00 O ATOM 1002 CB LYS A 71 -19.041 1.559 2.501 1.00 0.00 C ATOM 1003 CG LYS A 71 -19.668 1.377 3.897 1.00 0.00 C ATOM 1004 CD LYS A 71 -18.932 0.350 4.778 1.00 0.00 C ATOM 1005 CE LYS A 71 -19.036 0.641 6.274 1.00 0.00 C ATOM 1006 NZ LYS A 71 -20.422 0.737 6.750 1.00 0.00 N ATOM 0 H LYS A 71 -17.973 4.232 2.357 1.00 0.00 H new ATOM 0 HA LYS A 71 -17.051 1.566 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.688 2.197 1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.992 0.591 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.679 2.339 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.706 1.065 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -19.337 -0.642 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.880 0.327 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.522 -0.145 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.518 1.575 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.426 0.868 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.890 1.548 6.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -20.933 -0.136 6.510 1.00 0.00 H new ATOM 1020 N ALA A 72 -15.829 1.318 1.188 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.958 1.141 0.051 1.00 0.00 C ATOM 1022 C ALA A 72 -15.522 0.010 -0.766 1.00 0.00 C ATOM 1023 O ALA A 72 -15.627 -1.117 -0.272 1.00 0.00 O ATOM 1024 CB ALA A 72 -13.544 0.784 0.490 1.00 0.00 C ATOM 0 H ALA A 72 -15.541 0.763 1.994 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.904 2.067 -0.521 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.911 0.657 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.144 1.584 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.564 -0.145 1.060 1.00 0.00 H new ATOM 1030 N ILE A 73 -15.887 0.336 -1.995 1.00 0.00 N ATOM 1031 CA ILE A 73 -16.356 -0.645 -2.942 1.00 0.00 C ATOM 1032 C ILE A 73 -15.165 -1.565 -3.262 1.00 0.00 C ATOM 1033 O ILE A 73 -15.182 -2.738 -2.907 1.00 0.00 O ATOM 1034 CB ILE A 73 -16.974 0.047 -4.183 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -17.735 1.344 -3.825 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -17.910 -0.963 -4.838 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -18.616 1.916 -4.942 1.00 0.00 C ATOM 0 H ILE A 73 -15.864 1.289 -2.358 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.163 -1.255 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.177 0.351 -4.862 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -18.361 1.150 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.009 2.103 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -18.369 -0.515 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -17.343 -1.846 -5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -18.688 -1.250 -4.131 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -19.106 2.824 -4.590 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.998 2.149 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -19.371 1.182 -5.222 1.00 0.00 H new ATOM 1049 N GLU A 74 -14.083 -1.012 -3.816 1.00 0.00 N ATOM 1050 CA GLU A 74 -12.939 -1.757 -4.333 1.00 0.00 C ATOM 1051 C GLU A 74 -11.656 -1.104 -3.853 1.00 0.00 C ATOM 1052 O GLU A 74 -11.598 0.128 -3.746 1.00 0.00 O ATOM 1053 CB GLU A 74 -12.940 -1.747 -5.875 1.00 0.00 C ATOM 1054 CG GLU A 74 -14.279 -1.995 -6.586 1.00 0.00 C ATOM 1055 CD GLU A 74 -14.639 -3.473 -6.622 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -14.000 -4.198 -7.421 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -15.554 -3.912 -5.894 1.00 0.00 O ATOM 0 H GLU A 74 -13.979 -0.003 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.005 -2.785 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.558 -0.781 -6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.233 -2.503 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.068 -1.442 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.226 -1.610 -7.604 1.00 0.00 H new ATOM 1064 N PHE A 75 -10.655 -1.932 -3.556 1.00 0.00 N ATOM 1065 CA PHE A 75 -9.322 -1.596 -3.101 1.00 0.00 C ATOM 1066 C PHE A 75 -8.345 -2.626 -3.696 1.00 0.00 C ATOM 1067 O PHE A 75 -8.753 -3.515 -4.447 1.00 0.00 O ATOM 1068 CB PHE A 75 -9.282 -1.492 -1.559 1.00 0.00 C ATOM 1069 CG PHE A 75 -10.270 -2.266 -0.690 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -11.655 -2.008 -0.747 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -9.795 -3.160 0.285 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -12.558 -2.766 0.010 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -10.699 -3.888 1.079 1.00 0.00 C ATOM 1074 CZ PHE A 75 -12.082 -3.737 0.899 1.00 0.00 C ATOM 0 H PHE A 75 -10.775 -2.942 -3.638 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.015 -0.611 -3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.281 -1.789 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.395 -0.437 -1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -12.024 -1.216 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.732 -3.288 0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.620 -2.601 -0.092 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.326 -4.567 1.832 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.774 -4.364 1.442 1.00 0.00 H new ATOM 1084 N ALA A 76 -7.045 -2.489 -3.449 1.00 0.00 N ATOM 1085 CA ALA A 76 -6.045 -3.505 -3.732 1.00 0.00 C ATOM 1086 C ALA A 76 -4.888 -3.289 -2.760 1.00 0.00 C ATOM 1087 O ALA A 76 -4.824 -2.244 -2.115 1.00 0.00 O ATOM 1088 CB ALA A 76 -5.595 -3.411 -5.196 1.00 0.00 C ATOM 0 H ALA A 76 -6.651 -1.644 -3.035 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.449 -4.508 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.846 -4.177 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.453 -3.563 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.166 -2.426 -5.382 1.00 0.00 H new ATOM 1094 N VAL A 77 -3.980 -4.261 -2.649 1.00 0.00 N ATOM 1095 CA VAL A 77 -2.791 -4.178 -1.788 1.00 0.00 C ATOM 1096 C VAL A 77 -1.598 -4.826 -2.518 1.00 0.00 C ATOM 1097 O VAL A 77 -0.752 -5.528 -1.961 1.00 0.00 O ATOM 1098 CB VAL A 77 -3.065 -4.743 -0.380 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -1.986 -4.204 0.571 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -4.433 -4.342 0.203 1.00 0.00 C ATOM 0 H VAL A 77 -4.048 -5.141 -3.160 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.528 -3.136 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.056 -5.829 -0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.160 -4.591 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.003 -4.523 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.028 -3.115 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.548 -4.779 1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.493 -3.256 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.227 -4.706 -0.449 1.00 0.00 H new ATOM 1110 N SER A 78 -1.592 -4.611 -3.822 1.00 0.00 N ATOM 1111 CA SER A 78 -0.509 -4.758 -4.765 1.00 0.00 C ATOM 1112 C SER A 78 0.617 -3.762 -4.440 1.00 0.00 C ATOM 1113 O SER A 78 0.609 -3.073 -3.412 1.00 0.00 O ATOM 1114 CB SER A 78 -1.127 -4.536 -6.161 1.00 0.00 C ATOM 1115 OG SER A 78 -2.017 -3.425 -6.165 1.00 0.00 O ATOM 0 H SER A 78 -2.441 -4.295 -4.291 1.00 0.00 H new ATOM 0 HA SER A 78 -0.047 -5.744 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.333 -4.371 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.662 -5.434 -6.471 1.00 0.00 H new ATOM 0 HG SER A 78 -2.391 -3.309 -7.063 1.00 0.00 H new ATOM 1121 N GLY A 79 1.617 -3.683 -5.315 1.00 0.00 N ATOM 1122 CA GLY A 79 2.633 -2.653 -5.233 1.00 0.00 C ATOM 1123 C GLY A 79 3.199 -2.330 -6.607 1.00 0.00 C ATOM 1124 O GLY A 79 3.185 -1.165 -7.013 1.00 0.00 O ATOM 0 H GLY A 79 1.740 -4.330 -6.094 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.207 -1.752 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.436 -2.982 -4.574 1.00 0.00 H new ATOM 1128 N GLY A 80 3.700 -3.357 -7.298 1.00 0.00 N ATOM 1129 CA GLY A 80 4.440 -3.221 -8.543 1.00 0.00 C ATOM 1130 C GLY A 80 5.851 -2.700 -8.282 1.00 0.00 C ATOM 1131 O GLY A 80 6.069 -1.886 -7.378 1.00 0.00 O ATOM 0 H GLY A 80 3.597 -4.326 -6.996 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.491 -4.186 -9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 80 3.914 -2.539 -9.211 1.00 0.00 H new ATOM 1135 N VAL A 81 6.819 -3.152 -9.071 1.00 0.00 N ATOM 1136 CA VAL A 81 8.082 -2.466 -9.275 1.00 0.00 C ATOM 1137 C VAL A 81 8.591 -2.873 -10.650 1.00 0.00 C ATOM 1138 O VAL A 81 8.301 -3.982 -11.119 1.00 0.00 O ATOM 1139 CB VAL A 81 9.083 -2.708 -8.117 1.00 0.00 C ATOM 1140 CG1 VAL A 81 9.776 -4.071 -8.166 1.00 0.00 C ATOM 1141 CG2 VAL A 81 10.156 -1.613 -8.041 1.00 0.00 C ATOM 0 H VAL A 81 6.743 -4.023 -9.596 1.00 0.00 H new ATOM 0 HA VAL A 81 7.949 -1.384 -9.256 1.00 0.00 H new ATOM 0 HB VAL A 81 8.462 -2.682 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.460 -4.162 -7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.028 -4.862 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.335 -4.162 -9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.834 -1.825 -7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.718 -1.589 -8.975 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.679 -0.646 -7.880 1.00 0.00 H new ATOM 1295 N MET A 93 16.489 -1.488 3.690 1.00 0.00 N ATOM 1296 CA MET A 93 15.229 -0.818 3.381 1.00 0.00 C ATOM 1297 C MET A 93 14.127 -1.861 3.148 1.00 0.00 C ATOM 1298 O MET A 93 13.805 -2.171 2.000 1.00 0.00 O ATOM 1299 CB MET A 93 15.374 0.152 2.200 1.00 0.00 C ATOM 1300 CG MET A 93 16.094 -0.341 0.941 1.00 0.00 C ATOM 1301 SD MET A 93 17.665 0.520 0.659 1.00 0.00 S ATOM 1302 CE MET A 93 17.632 0.641 -1.145 1.00 0.00 C ATOM 0 HA MET A 93 14.940 -0.207 4.236 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.374 0.472 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 93 15.900 1.037 2.559 1.00 0.00 H new ATOM 0 HG2 MET A 93 16.280 -1.411 1.028 1.00 0.00 H new ATOM 0 HG3 MET A 93 15.445 -0.200 0.076 1.00 0.00 H new ATOM 0 HE1 MET A 93 18.548 1.117 -1.495 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.554 -0.357 -1.575 1.00 0.00 H new ATOM 0 HE3 MET A 93 16.773 1.237 -1.454 1.00 0.00 H new ATOM 1312 N GLN A 94 13.566 -2.430 4.217 1.00 0.00 N ATOM 1313 CA GLN A 94 12.489 -3.405 4.082 1.00 0.00 C ATOM 1314 C GLN A 94 11.211 -2.729 3.572 1.00 0.00 C ATOM 1315 O GLN A 94 11.090 -1.500 3.547 1.00 0.00 O ATOM 1316 CB GLN A 94 12.294 -4.271 5.331 1.00 0.00 C ATOM 1317 CG GLN A 94 11.441 -3.695 6.452 1.00 0.00 C ATOM 1318 CD GLN A 94 10.912 -4.817 7.329 1.00 0.00 C ATOM 1319 OE1 GLN A 94 9.979 -5.545 6.990 1.00 0.00 O ATOM 1320 NE2 GLN A 94 11.528 -5.008 8.473 1.00 0.00 N ATOM 0 H GLN A 94 13.840 -2.232 5.179 1.00 0.00 H new ATOM 0 HA GLN A 94 12.784 -4.126 3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.849 -5.216 5.020 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.278 -4.501 5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.032 -3.002 7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.610 -3.127 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.300 -4.399 8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.234 -5.765 9.090 1.00 0.00 H new ATOM 1329 N TRP A 95 10.218 -3.541 3.217 1.00 0.00 N ATOM 1330 CA TRP A 95 8.925 -3.060 2.762 1.00 0.00 C ATOM 1331 C TRP A 95 7.831 -3.912 3.400 1.00 0.00 C ATOM 1332 O TRP A 95 7.577 -5.045 2.973 1.00 0.00 O ATOM 1333 CB TRP A 95 8.915 -3.037 1.227 1.00 0.00 C ATOM 1334 CG TRP A 95 8.437 -1.757 0.628 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.082 -0.568 0.653 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.205 -1.537 -0.106 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.333 0.372 -0.031 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.150 -0.166 -0.487 1.00 0.00 C ATOM 1339 CE3 TRP A 95 6.155 -2.383 -0.520 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 6.079 0.362 -1.219 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 5.075 -1.863 -1.262 1.00 0.00 C ATOM 1342 CH2 TRP A 95 5.032 -0.496 -1.605 1.00 0.00 C ATOM 0 H TRP A 95 10.293 -4.558 3.239 1.00 0.00 H new ATOM 0 HA TRP A 95 8.729 -2.035 3.077 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.924 -3.237 0.867 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.282 -3.849 0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 95 10.032 -0.382 1.132 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.620 1.340 -0.179 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.179 -3.433 -0.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.057 1.409 -1.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.273 -2.518 -1.571 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.194 -0.107 -2.165 1.00 0.00 H new ATOM 1353 N VAL A 96 7.232 -3.425 4.483 1.00 0.00 N ATOM 1354 CA VAL A 96 6.250 -4.152 5.284 1.00 0.00 C ATOM 1355 C VAL A 96 4.892 -3.471 5.163 1.00 0.00 C ATOM 1356 O VAL A 96 4.805 -2.249 5.017 1.00 0.00 O ATOM 1357 CB VAL A 96 6.788 -4.394 6.715 1.00 0.00 C ATOM 1358 CG1 VAL A 96 7.456 -3.185 7.352 1.00 0.00 C ATOM 1359 CG2 VAL A 96 5.772 -4.938 7.717 1.00 0.00 C ATOM 0 H VAL A 96 7.421 -2.488 4.838 1.00 0.00 H new ATOM 0 HA VAL A 96 6.085 -5.160 4.904 1.00 0.00 H new ATOM 0 HB VAL A 96 7.532 -5.166 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.802 -3.446 8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.305 -2.876 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.740 -2.366 7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.252 -5.071 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.945 -4.235 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.392 -5.897 7.366 1.00 0.00 H new ATOM 1369 N VAL A 97 3.846 -4.298 5.113 1.00 0.00 N ATOM 1370 CA VAL A 97 2.503 -3.905 4.732 1.00 0.00 C ATOM 1371 C VAL A 97 1.563 -4.606 5.725 1.00 0.00 C ATOM 1372 O VAL A 97 1.669 -5.825 5.909 1.00 0.00 O ATOM 1373 CB VAL A 97 2.271 -4.294 3.244 1.00 0.00 C ATOM 1374 CG1 VAL A 97 1.093 -3.529 2.637 1.00 0.00 C ATOM 1375 CG2 VAL A 97 3.486 -4.039 2.323 1.00 0.00 C ATOM 0 H VAL A 97 3.921 -5.288 5.345 1.00 0.00 H new ATOM 0 HA VAL A 97 2.322 -2.831 4.784 1.00 0.00 H new ATOM 0 HB VAL A 97 2.077 -5.366 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.962 -3.828 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.185 -3.755 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.291 -2.458 2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.239 -4.337 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.739 -2.979 2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.338 -4.621 2.675 1.00 0.00 H new ATOM 1385 N THR A 98 0.689 -3.847 6.393 1.00 0.00 N ATOM 1386 CA THR A 98 -0.241 -4.337 7.409 1.00 0.00 C ATOM 1387 C THR A 98 -1.634 -3.774 7.116 1.00 0.00 C ATOM 1388 O THR A 98 -1.873 -2.579 7.304 1.00 0.00 O ATOM 1389 CB THR A 98 0.241 -3.964 8.824 1.00 0.00 C ATOM 1390 OG1 THR A 98 1.611 -4.281 8.984 1.00 0.00 O ATOM 1391 CG2 THR A 98 -0.553 -4.733 9.883 1.00 0.00 C ATOM 0 H THR A 98 0.609 -2.843 6.235 1.00 0.00 H new ATOM 0 HA THR A 98 -0.286 -5.425 7.372 1.00 0.00 H new ATOM 0 HB THR A 98 0.090 -2.892 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.900 -4.036 9.888 1.00 0.00 H new ATOM 0 HG21 THR A 98 -0.198 -4.456 10.876 1.00 0.00 H new ATOM 0 HG22 THR A 98 -1.611 -4.487 9.794 1.00 0.00 H new ATOM 0 HG23 THR A 98 -0.416 -5.804 9.734 1.00 0.00 H new ATOM 1399 N VAL A 99 -2.530 -4.617 6.602 1.00 0.00 N ATOM 1400 CA VAL A 99 -3.883 -4.246 6.195 1.00 0.00 C ATOM 1401 C VAL A 99 -4.870 -4.650 7.279 1.00 0.00 C ATOM 1402 O VAL A 99 -4.666 -5.670 7.940 1.00 0.00 O ATOM 1403 CB VAL A 99 -4.216 -4.977 4.883 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -5.619 -4.672 4.333 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -3.200 -4.587 3.819 1.00 0.00 C ATOM 0 H VAL A 99 -2.327 -5.606 6.454 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.949 -3.168 6.045 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.183 -6.041 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -5.775 -5.226 3.407 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.370 -4.970 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.708 -3.604 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.432 -5.103 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -3.239 -3.510 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.200 -4.868 4.150 1.00 0.00 H new ATOM 1415 N TYR A 100 -5.989 -3.931 7.371 1.00 0.00 N ATOM 1416 CA TYR A 100 -7.110 -4.228 8.251 1.00 0.00 C ATOM 1417 C TYR A 100 -8.392 -4.388 7.428 1.00 0.00 C ATOM 1418 O TYR A 100 -8.398 -4.273 6.199 1.00 0.00 O ATOM 1419 CB TYR A 100 -7.247 -3.140 9.338 1.00 0.00 C ATOM 1420 CG TYR A 100 -5.964 -2.823 10.094 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -4.960 -2.042 9.494 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -5.751 -3.328 11.392 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -3.724 -1.866 10.131 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -4.513 -3.151 12.036 1.00 0.00 C ATOM 1425 CZ TYR A 100 -3.472 -2.450 11.386 1.00 0.00 C ATOM 1426 OH TYR A 100 -2.227 -2.352 11.929 1.00 0.00 O ATOM 0 H TYR A 100 -6.141 -3.093 6.810 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.927 -5.172 8.765 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.612 -2.225 8.871 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.005 -3.457 10.055 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -5.142 -1.575 8.537 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.546 -3.856 11.897 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.956 -1.275 9.653 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -4.358 -3.551 13.027 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.213 -2.805 12.798 1.00 0.00 H new ATOM 1436 N LYS A 101 -9.499 -4.643 8.116 1.00 0.00 N ATOM 1437 CA LYS A 101 -10.860 -4.513 7.611 1.00 0.00 C ATOM 1438 C LYS A 101 -11.649 -3.840 8.733 1.00 0.00 C ATOM 1439 O LYS A 101 -11.069 -3.186 9.599 1.00 0.00 O ATOM 1440 CB LYS A 101 -11.399 -5.897 7.177 1.00 0.00 C ATOM 1441 CG LYS A 101 -12.315 -5.784 5.956 1.00 0.00 C ATOM 1442 CD LYS A 101 -12.777 -7.154 5.448 1.00 0.00 C ATOM 1443 CE LYS A 101 -13.046 -7.147 3.938 1.00 0.00 C ATOM 1444 NZ LYS A 101 -11.793 -7.230 3.154 1.00 0.00 N ATOM 0 H LYS A 101 -9.470 -4.960 9.085 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.938 -3.903 6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.564 -6.558 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.946 -6.351 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.186 -5.181 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.789 -5.261 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.017 -7.901 5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.683 -7.450 5.976 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.692 -7.986 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.583 -6.237 3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.018 -7.223 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.187 -6.416 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.293 -8.110 3.391 1.00 0.00 H new ATOM 1458 N ASN A 102 -12.963 -4.029 8.762 1.00 0.00 N ATOM 1459 CA ASN A 102 -13.860 -3.654 9.855 1.00 0.00 C ATOM 1460 C ASN A 102 -13.552 -4.315 11.212 1.00 0.00 C ATOM 1461 O ASN A 102 -14.342 -4.139 12.138 1.00 0.00 O ATOM 1462 CB ASN A 102 -15.303 -3.994 9.438 1.00 0.00 C ATOM 1463 CG ASN A 102 -15.494 -5.484 9.139 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -15.193 -6.361 9.947 1.00 0.00 O ATOM 1465 ND2 ASN A 102 -15.928 -5.814 7.934 1.00 0.00 N ATOM 0 H ASN A 102 -13.459 -4.469 7.987 1.00 0.00 H new ATOM 0 HA ASN A 102 -13.714 -2.586 10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -15.987 -3.696 10.233 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.569 -3.413 8.555 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.013 -6.797 7.674 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.177 -5.086 7.265 1.00 0.00 H new ATOM 1472 N GLY A 103 -12.487 -5.107 11.355 1.00 0.00 N ATOM 1473 CA GLY A 103 -12.237 -5.930 12.530 1.00 0.00 C ATOM 1474 C GLY A 103 -10.922 -5.600 13.224 1.00 0.00 C ATOM 1475 O GLY A 103 -10.909 -5.199 14.385 1.00 0.00 O ATOM 0 H GLY A 103 -11.763 -5.193 10.641 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.056 -5.801 13.237 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -12.232 -6.980 12.236 1.00 0.00 H new ATOM 1479 N LYS A 104 -9.826 -5.889 12.533 1.00 0.00 N ATOM 1480 CA LYS A 104 -8.461 -6.063 13.023 1.00 0.00 C ATOM 1481 C LYS A 104 -7.548 -6.262 11.806 1.00 0.00 C ATOM 1482 O LYS A 104 -8.040 -6.212 10.671 1.00 0.00 O ATOM 1483 CB LYS A 104 -8.401 -7.288 13.953 1.00 0.00 C ATOM 1484 CG LYS A 104 -8.731 -8.600 13.229 1.00 0.00 C ATOM 1485 CD LYS A 104 -8.482 -9.805 14.142 1.00 0.00 C ATOM 1486 CE LYS A 104 -8.369 -11.072 13.296 1.00 0.00 C ATOM 1487 NZ LYS A 104 -7.123 -11.096 12.493 1.00 0.00 N ATOM 0 H LYS A 104 -9.873 -6.020 11.523 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.136 -5.191 13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.404 -7.359 14.389 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.100 -7.147 14.777 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.773 -8.591 12.908 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.121 -8.687 12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.568 -9.656 14.717 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.297 -9.906 14.859 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.397 -11.946 13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -9.230 -11.142 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.087 -11.972 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.107 -10.276 11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.300 -11.056 13.128 1.00 0.00 H new ATOM 1501 N GLU A 105 -6.249 -6.502 11.992 1.00 0.00 N ATOM 1502 CA GLU A 105 -5.351 -6.722 10.879 1.00 0.00 C ATOM 1503 C GLU A 105 -5.687 -8.063 10.213 1.00 0.00 C ATOM 1504 O GLU A 105 -6.129 -9.009 10.876 1.00 0.00 O ATOM 1505 CB GLU A 105 -3.884 -6.601 11.325 1.00 0.00 C ATOM 1506 CG GLU A 105 -3.114 -7.882 11.685 1.00 0.00 C ATOM 1507 CD GLU A 105 -3.673 -8.658 12.878 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -4.154 -8.037 13.848 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -3.531 -9.909 12.888 1.00 0.00 O ATOM 0 H GLU A 105 -5.804 -6.547 12.908 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.489 -5.947 10.125 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -3.336 -6.099 10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.856 -5.943 12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.105 -8.539 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.078 -7.618 11.896 1.00 0.00 H new ATOM 1516 N ILE A 106 -5.460 -8.152 8.906 1.00 0.00 N ATOM 1517 CA ILE A 106 -5.754 -9.320 8.084 1.00 0.00 C ATOM 1518 C ILE A 106 -4.554 -9.713 7.208 1.00 0.00 C ATOM 1519 O ILE A 106 -4.500 -10.846 6.723 1.00 0.00 O ATOM 1520 CB ILE A 106 -7.045 -9.090 7.259 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -6.841 -8.035 6.149 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -8.242 -8.702 8.157 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -7.982 -8.032 5.135 1.00 0.00 C ATOM 0 H ILE A 106 -5.052 -7.385 8.372 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.936 -10.169 8.743 1.00 0.00 H new ATOM 0 HB ILE A 106 -7.276 -10.042 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.757 -7.047 6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.901 -8.230 5.634 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.127 -8.550 7.539 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -8.433 -9.501 8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -8.011 -7.781 8.693 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -7.792 -7.274 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -8.050 -9.011 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -8.920 -7.809 5.643 1.00 0.00 H new ATOM 1535 N GLU A 107 -3.573 -8.828 7.026 1.00 0.00 N ATOM 1536 CA GLU A 107 -2.344 -9.081 6.285 1.00 0.00 C ATOM 1537 C GLU A 107 -1.208 -8.488 7.106 1.00 0.00 C ATOM 1538 O GLU A 107 -1.435 -7.498 7.807 1.00 0.00 O ATOM 1539 CB GLU A 107 -2.397 -8.404 4.909 1.00 0.00 C ATOM 1540 CG GLU A 107 -1.560 -9.164 3.869 1.00 0.00 C ATOM 1541 CD GLU A 107 -2.393 -10.187 3.098 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -3.416 -9.772 2.498 1.00 0.00 O ATOM 1543 OE2 GLU A 107 -2.005 -11.371 3.109 1.00 0.00 O ATOM 0 H GLU A 107 -3.617 -7.882 7.406 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.204 -10.150 6.124 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.432 -8.346 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.032 -7.381 4.993 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.120 -8.454 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.735 -9.672 4.369 1.00 0.00 H new ATOM 1550 N LYS A 108 -0.007 -9.066 7.020 1.00 0.00 N ATOM 1551 CA LYS A 108 1.129 -8.643 7.837 1.00 0.00 C ATOM 1552 C LYS A 108 2.444 -9.115 7.207 1.00 0.00 C ATOM 1553 O LYS A 108 3.270 -9.793 7.834 1.00 0.00 O ATOM 1554 CB LYS A 108 0.931 -9.063 9.307 1.00 0.00 C ATOM 1555 CG LYS A 108 0.635 -10.558 9.507 1.00 0.00 C ATOM 1556 CD LYS A 108 0.362 -10.911 10.975 1.00 0.00 C ATOM 1557 CE LYS A 108 1.611 -10.763 11.851 1.00 0.00 C ATOM 1558 NZ LYS A 108 1.364 -11.175 13.246 1.00 0.00 N ATOM 0 H LYS A 108 0.203 -9.836 6.385 1.00 0.00 H new ATOM 0 HA LYS A 108 1.188 -7.555 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.828 -8.804 9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.111 -8.483 9.730 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.228 -10.838 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.481 -11.144 9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.428 -10.266 11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.004 -11.936 11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.419 -11.364 11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.944 -9.725 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.235 -11.058 13.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.611 -10.585 13.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.071 -12.173 13.267 1.00 0.00 H new ATOM 1572 N LYS A 109 2.610 -8.799 5.923 1.00 0.00 N ATOM 1573 CA LYS A 109 3.754 -9.203 5.108 1.00 0.00 C ATOM 1574 C LYS A 109 4.879 -8.183 5.197 1.00 0.00 C ATOM 1575 O LYS A 109 4.621 -6.989 5.342 1.00 0.00 O ATOM 1576 CB LYS A 109 3.341 -9.404 3.648 1.00 0.00 C ATOM 1577 CG LYS A 109 2.588 -8.242 3.003 1.00 0.00 C ATOM 1578 CD LYS A 109 2.245 -8.603 1.544 1.00 0.00 C ATOM 1579 CE LYS A 109 2.190 -7.340 0.683 1.00 0.00 C ATOM 1580 NZ LYS A 109 3.541 -6.833 0.373 1.00 0.00 N ATOM 0 H LYS A 109 1.932 -8.238 5.407 1.00 0.00 H new ATOM 0 HA LYS A 109 4.118 -10.152 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.238 -9.602 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 109 2.717 -10.295 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.676 -8.030 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.197 -7.338 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.993 -9.290 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.286 -9.119 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.660 -7.555 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 109 1.622 -6.569 1.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.474 -6.083 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.974 -6.448 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 4.128 -7.610 0.008 1.00 0.00 H new ATOM 1594 N SER A 110 6.117 -8.639 5.039 1.00 0.00 N ATOM 1595 CA SER A 110 7.328 -7.907 5.330 1.00 0.00 C ATOM 1596 C SER A 110 8.427 -8.351 4.363 1.00 0.00 C ATOM 1597 O SER A 110 8.789 -9.527 4.338 1.00 0.00 O ATOM 1598 CB SER A 110 7.680 -8.209 6.788 1.00 0.00 C ATOM 1599 OG SER A 110 7.333 -9.535 7.192 1.00 0.00 O ATOM 0 H SER A 110 6.304 -9.578 4.686 1.00 0.00 H new ATOM 0 HA SER A 110 7.209 -6.831 5.201 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.750 -8.061 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.168 -7.495 7.433 1.00 0.00 H new ATOM 0 HG SER A 110 7.584 -9.667 8.130 1.00 0.00 H new ATOM 1605 N LEU A 111 8.921 -7.440 3.524 1.00 0.00 N ATOM 1606 CA LEU A 111 9.874 -7.731 2.469 1.00 0.00 C ATOM 1607 C LEU A 111 11.241 -7.218 2.918 1.00 0.00 C ATOM 1608 O LEU A 111 11.616 -6.099 2.569 1.00 0.00 O ATOM 1609 CB LEU A 111 9.427 -7.070 1.142 1.00 0.00 C ATOM 1610 CG LEU A 111 10.133 -7.746 -0.046 1.00 0.00 C ATOM 1611 CD1 LEU A 111 9.498 -9.099 -0.401 1.00 0.00 C ATOM 1612 CD2 LEU A 111 10.049 -6.819 -1.249 1.00 0.00 C ATOM 0 H LEU A 111 8.658 -6.455 3.566 1.00 0.00 H new ATOM 0 HA LEU A 111 9.930 -8.804 2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.346 -7.155 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.663 -6.006 1.158 1.00 0.00 H new ATOM 0 HG LEU A 111 11.170 -7.934 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 111 10.029 -9.540 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.563 -9.768 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 111 8.452 -8.951 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.545 -7.283 -2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 111 9.003 -6.635 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.539 -5.874 -1.015 1.00 0.00 H new ATOM 1827 N ASN A 125 1.299 -8.516 -5.966 1.00 0.00 N ATOM 1828 CA ASN A 125 -0.068 -8.312 -6.434 1.00 0.00 C ATOM 1829 C ASN A 125 -1.091 -8.941 -5.483 1.00 0.00 C ATOM 1830 O ASN A 125 -1.206 -10.169 -5.416 1.00 0.00 O ATOM 1831 CB ASN A 125 -0.260 -8.855 -7.853 1.00 0.00 C ATOM 1832 CG ASN A 125 -1.582 -8.329 -8.395 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -2.655 -8.718 -7.944 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -1.535 -7.390 -9.321 1.00 0.00 N ATOM 0 HA ASN A 125 -0.239 -7.236 -6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 125 0.564 -8.541 -8.494 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -0.260 -9.945 -7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -2.399 -6.976 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -0.635 -7.078 -9.685 1.00 0.00 H new ATOM 1841 N LEU A 126 -1.853 -8.109 -4.764 1.00 0.00 N ATOM 1842 CA LEU A 126 -3.066 -8.505 -4.054 1.00 0.00 C ATOM 1843 C LEU A 126 -4.184 -7.571 -4.506 1.00 0.00 C ATOM 1844 O LEU A 126 -3.919 -6.388 -4.727 1.00 0.00 O ATOM 1845 CB LEU A 126 -2.923 -8.357 -2.533 1.00 0.00 C ATOM 1846 CG LEU A 126 -2.036 -9.410 -1.854 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -0.564 -8.997 -1.855 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -2.456 -9.527 -0.396 1.00 0.00 C ATOM 0 H LEU A 126 -1.634 -7.118 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 126 -3.270 -9.552 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.517 -7.369 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.916 -8.398 -2.085 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.152 -10.345 -2.402 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.031 -9.768 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.222 -8.872 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.450 -8.056 -1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.836 -10.272 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -2.332 -8.563 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -3.501 -9.831 -0.342 1.00 0.00 H new ATOM 1860 N TYR A 127 -5.430 -8.044 -4.534 1.00 0.00 N ATOM 1861 CA TYR A 127 -6.613 -7.237 -4.834 1.00 0.00 C ATOM 1862 C TYR A 127 -7.656 -7.456 -3.736 1.00 0.00 C ATOM 1863 O TYR A 127 -7.602 -8.471 -3.032 1.00 0.00 O ATOM 1864 CB TYR A 127 -7.152 -7.589 -6.227 1.00 0.00 C ATOM 1865 CG TYR A 127 -7.924 -6.463 -6.891 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -9.301 -6.289 -6.645 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -7.250 -5.575 -7.751 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -9.993 -5.214 -7.230 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -7.940 -4.510 -8.357 1.00 0.00 C ATOM 1870 CZ TYR A 127 -9.317 -4.328 -8.097 1.00 0.00 C ATOM 1871 OH TYR A 127 -10.004 -3.318 -8.698 1.00 0.00 O ATOM 0 H TYR A 127 -5.650 -9.022 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.356 -6.178 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -6.317 -7.871 -6.868 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.800 -8.462 -6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -9.826 -6.983 -6.005 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.197 -5.713 -7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -11.041 -5.066 -7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.419 -3.834 -9.019 1.00 0.00 H new ATOM 0 HH TYR A 127 -9.394 -2.798 -9.262 1.00 0.00 H new ATOM 1881 N TYR A 128 -8.584 -6.514 -3.554 1.00 0.00 N ATOM 1882 CA TYR A 128 -9.586 -6.592 -2.500 1.00 0.00 C ATOM 1883 C TYR A 128 -10.896 -5.949 -2.936 1.00 0.00 C ATOM 1884 O TYR A 128 -10.967 -4.750 -3.198 1.00 0.00 O ATOM 1885 CB TYR A 128 -9.097 -5.882 -1.236 1.00 0.00 C ATOM 1886 CG TYR A 128 -8.237 -6.707 -0.304 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -6.852 -6.810 -0.502 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -8.838 -7.373 0.774 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -6.065 -7.613 0.351 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -8.068 -8.165 1.636 1.00 0.00 C ATOM 1891 CZ TYR A 128 -6.676 -8.293 1.436 1.00 0.00 C ATOM 1892 OH TYR A 128 -5.975 -9.033 2.342 1.00 0.00 O ATOM 0 H TYR A 128 -8.658 -5.679 -4.135 1.00 0.00 H new ATOM 0 HA TYR A 128 -9.752 -7.649 -2.293 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -8.532 -4.999 -1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -9.967 -5.531 -0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -6.385 -6.271 -1.313 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -9.901 -7.275 0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -5.003 -7.709 0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -8.542 -8.681 2.458 1.00 0.00 H new ATOM 0 HH TYR A 128 -5.038 -9.094 2.060 1.00 0.00 H new ATOM 1902 N ASN A 129 -11.956 -6.741 -2.920 1.00 0.00 N ATOM 1903 CA ASN A 129 -13.325 -6.292 -2.754 1.00 0.00 C ATOM 1904 C ASN A 129 -14.054 -7.426 -2.057 1.00 0.00 C ATOM 1905 O ASN A 129 -13.632 -8.597 -2.169 1.00 0.00 O ATOM 1906 CB ASN A 129 -13.963 -5.873 -4.088 1.00 0.00 C ATOM 1907 CG ASN A 129 -13.974 -6.970 -5.132 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -14.550 -8.033 -4.933 1.00 0.00 O ATOM 1909 ND2 ASN A 129 -13.413 -6.736 -6.305 1.00 0.00 N ATOM 0 H ASN A 129 -11.881 -7.753 -3.027 1.00 0.00 H new ATOM 0 HA ASN A 129 -13.381 -5.386 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -14.987 -5.549 -3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -13.423 -5.013 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -13.460 -7.439 -7.042 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -12.933 -5.852 -6.473 1.00 0.00 H new