USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 SER OG : rot 180:sc= 0.014 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 77:sc= 0.958 USER MOD Single : A 26 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.77) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.842 USER MOD Single : A 31 THR OG1 : rot -48:sc= 0.701 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00845 X(o=-0.0085,f=-0.25) USER MOD Single : A 46 TYR OH : rot 15:sc= -0.927 USER MOD Single : A 47 CYS SG : rot 75:sc= -1.77! USER MOD Single : A 48 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0654 (180deg=-0.472) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -123:sc= -0.25 (180deg=-1.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl -116:sc= -0.441 (180deg=-4.43!) USER MOD Single : A 71 GLN : amide:sc=-4.25e-06 X(o=-4.3e-06,f=-0.31) USER MOD Single : A 72 GLN : amide:sc= -2 K(o=-2,f=-4.8!) USER MOD Single : A 73 SER OG : rot -166:sc= 0.0824 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 79 ASN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0.698 K(o=0.7,f=-5.3e-05) USER MOD Single : A 90 GLN : amide:sc= -2.06 K(o=-2.1,f=-8.1!) USER MOD Single : A 94 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 120:sc= -1.57! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 3.357 10.234 -5.638 1.00 0.00 N ATOM 127 CA PHE A 18 2.658 9.146 -6.315 1.00 0.00 C ATOM 128 C PHE A 18 3.575 8.451 -7.317 1.00 0.00 C ATOM 129 O PHE A 18 3.461 7.248 -7.548 1.00 0.00 O ATOM 130 CB PHE A 18 1.413 9.677 -7.028 1.00 0.00 C ATOM 131 CG PHE A 18 0.535 8.594 -7.585 1.00 0.00 C ATOM 132 CD1 PHE A 18 0.081 7.565 -6.776 1.00 0.00 C ATOM 133 CD2 PHE A 18 0.162 8.604 -8.920 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.728 6.567 -7.286 1.00 0.00 C ATOM 135 CE2 PHE A 18 -0.646 7.609 -9.437 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.092 6.590 -8.618 1.00 0.00 C ATOM 0 HA PHE A 18 2.354 8.419 -5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.833 10.280 -6.329 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.722 10.337 -7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.363 7.542 -5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.507 9.399 -9.564 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.075 5.771 -6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.928 7.628 -10.479 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.725 5.812 -9.019 1.00 0.00 H new ATOM 146 N SER A 19 4.483 9.219 -7.911 1.00 0.00 N ATOM 147 CA SER A 19 5.418 8.680 -8.892 1.00 0.00 C ATOM 148 C SER A 19 6.142 7.457 -8.336 1.00 0.00 C ATOM 149 O SER A 19 6.215 6.416 -8.989 1.00 0.00 O ATOM 150 CB SER A 19 6.434 9.747 -9.300 1.00 0.00 C ATOM 151 OG SER A 19 5.810 11.008 -9.468 1.00 0.00 O ATOM 0 H SER A 19 4.591 10.217 -7.730 1.00 0.00 H new ATOM 0 HA SER A 19 4.850 8.376 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.213 9.821 -8.541 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.922 9.453 -10.229 1.00 0.00 H new ATOM 0 HG SER A 19 6.481 11.673 -9.727 1.00 0.00 H new ATOM 157 N ASP A 20 6.677 7.593 -7.128 1.00 0.00 N ATOM 158 CA ASP A 20 7.397 6.500 -6.484 1.00 0.00 C ATOM 159 C ASP A 20 6.425 5.510 -5.849 1.00 0.00 C ATOM 160 O ASP A 20 6.701 4.312 -5.779 1.00 0.00 O ATOM 161 CB ASP A 20 8.353 7.046 -5.423 1.00 0.00 C ATOM 162 CG ASP A 20 9.603 6.200 -5.279 1.00 0.00 C ATOM 163 OD1 ASP A 20 10.499 6.313 -6.141 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.685 5.426 -4.303 1.00 0.00 O ATOM 0 H ASP A 20 6.626 8.449 -6.575 1.00 0.00 H new ATOM 0 HA ASP A 20 7.974 5.978 -7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.636 8.066 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.838 7.094 -4.464 1.00 0.00 H new ATOM 169 N VAL A 21 5.287 6.019 -5.387 1.00 0.00 N ATOM 170 CA VAL A 21 4.274 5.179 -4.759 1.00 0.00 C ATOM 171 C VAL A 21 3.845 4.048 -5.686 1.00 0.00 C ATOM 172 O VAL A 21 3.821 2.882 -5.292 1.00 0.00 O ATOM 173 CB VAL A 21 3.034 6.001 -4.359 1.00 0.00 C ATOM 174 CG1 VAL A 21 1.963 5.097 -3.768 1.00 0.00 C ATOM 175 CG2 VAL A 21 3.416 7.101 -3.380 1.00 0.00 C ATOM 0 H VAL A 21 5.044 7.008 -5.436 1.00 0.00 H new ATOM 0 HA VAL A 21 4.725 4.756 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 21 2.626 6.470 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.095 5.695 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.669 4.350 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.357 4.597 -2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.528 7.671 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.849 6.656 -2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.145 7.765 -3.845 1.00 0.00 H new ATOM 185 N LYS A 22 3.504 4.401 -6.922 1.00 0.00 N ATOM 186 CA LYS A 22 3.077 3.416 -7.908 1.00 0.00 C ATOM 187 C LYS A 22 4.208 2.448 -8.237 1.00 0.00 C ATOM 188 O LYS A 22 3.974 1.268 -8.500 1.00 0.00 O ATOM 189 CB LYS A 22 2.601 4.115 -9.184 1.00 0.00 C ATOM 190 CG LYS A 22 3.679 4.944 -9.860 1.00 0.00 C ATOM 191 CD LYS A 22 3.149 5.643 -11.100 1.00 0.00 C ATOM 192 CE LYS A 22 4.264 5.942 -12.092 1.00 0.00 C ATOM 193 NZ LYS A 22 3.735 6.211 -13.457 1.00 0.00 N ATOM 0 H LYS A 22 3.515 5.362 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 22 2.250 2.848 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.238 3.364 -9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.756 4.760 -8.942 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.062 5.686 -9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.516 4.301 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.394 5.017 -11.577 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.657 6.572 -10.813 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.835 6.804 -11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.953 5.098 -12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.526 6.410 -14.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.212 5.379 -13.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.098 7.032 -13.427 1.00 0.00 H new ATOM 207 N THR A 23 5.438 2.954 -8.219 1.00 0.00 N ATOM 208 CA THR A 23 6.606 2.134 -8.515 1.00 0.00 C ATOM 209 C THR A 23 6.833 1.088 -7.430 1.00 0.00 C ATOM 210 O THR A 23 6.851 -0.112 -7.704 1.00 0.00 O ATOM 211 CB THR A 23 7.875 2.995 -8.654 1.00 0.00 C ATOM 212 OG1 THR A 23 7.622 4.105 -9.523 1.00 0.00 O ATOM 213 CG2 THR A 23 9.031 2.171 -9.201 1.00 0.00 C ATOM 0 H THR A 23 5.650 3.928 -8.002 1.00 0.00 H new ATOM 0 HA THR A 23 6.409 1.633 -9.463 1.00 0.00 H new ATOM 0 HB THR A 23 8.147 3.363 -7.665 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.104 4.785 -9.043 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.916 2.801 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.241 1.344 -8.523 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.765 1.777 -10.182 1.00 0.00 H new ATOM 221 N LEU A 24 7.004 1.549 -6.195 1.00 0.00 N ATOM 222 CA LEU A 24 7.229 0.652 -5.067 1.00 0.00 C ATOM 223 C LEU A 24 6.058 -0.310 -4.895 1.00 0.00 C ATOM 224 O LEU A 24 6.234 -1.446 -4.453 1.00 0.00 O ATOM 225 CB LEU A 24 7.435 1.458 -3.783 1.00 0.00 C ATOM 226 CG LEU A 24 6.165 1.942 -3.083 1.00 0.00 C ATOM 227 CD1 LEU A 24 5.689 0.912 -2.070 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.407 3.284 -2.408 1.00 0.00 C ATOM 0 H LEU A 24 6.991 2.539 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 24 8.127 0.069 -5.271 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.002 0.847 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.050 2.327 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 24 5.385 2.071 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.784 1.273 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.476 -0.028 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.466 0.751 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.492 3.613 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.201 3.181 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.701 4.020 -3.156 1.00 0.00 H new ATOM 240 N LEU A 25 4.863 0.152 -5.247 1.00 0.00 N ATOM 241 CA LEU A 25 3.661 -0.668 -5.133 1.00 0.00 C ATOM 242 C LEU A 25 3.671 -1.792 -6.164 1.00 0.00 C ATOM 243 O LEU A 25 3.436 -2.955 -5.834 1.00 0.00 O ATOM 244 CB LEU A 25 2.412 0.195 -5.314 1.00 0.00 C ATOM 245 CG LEU A 25 1.915 0.926 -4.066 1.00 0.00 C ATOM 246 CD1 LEU A 25 0.999 2.076 -4.451 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.199 -0.039 -3.132 1.00 0.00 C ATOM 0 H LEU A 25 4.700 1.090 -5.614 1.00 0.00 H new ATOM 0 HA LEU A 25 3.646 -1.112 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.615 0.935 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.607 -0.440 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 25 2.778 1.336 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.655 2.584 -3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.544 2.780 -5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.140 1.689 -5.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.852 0.499 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.345 -0.479 -3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.886 -0.829 -2.829 1.00 0.00 H new ATOM 259 N LYS A 26 3.945 -1.438 -7.416 1.00 0.00 N ATOM 260 CA LYS A 26 3.989 -2.416 -8.496 1.00 0.00 C ATOM 261 C LYS A 26 5.166 -3.370 -8.319 1.00 0.00 C ATOM 262 O LYS A 26 5.083 -4.546 -8.675 1.00 0.00 O ATOM 263 CB LYS A 26 4.092 -1.709 -9.849 1.00 0.00 C ATOM 264 CG LYS A 26 3.424 -2.467 -10.984 1.00 0.00 C ATOM 265 CD LYS A 26 4.364 -3.492 -11.597 1.00 0.00 C ATOM 266 CE LYS A 26 3.927 -3.878 -13.002 1.00 0.00 C ATOM 267 NZ LYS A 26 4.878 -4.833 -13.635 1.00 0.00 N ATOM 0 H LYS A 26 4.140 -0.480 -7.707 1.00 0.00 H new ATOM 0 HA LYS A 26 3.066 -2.995 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.640 -0.720 -9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.144 -1.560 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.530 -2.968 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.100 -1.764 -11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.376 -3.087 -11.628 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.395 -4.381 -10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.934 -4.326 -12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.849 -2.982 -13.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.802 -4.764 -14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.849 -4.601 -13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.649 -5.802 -13.334 1.00 0.00 H new ATOM 281 N GLU A 27 6.261 -2.856 -7.766 1.00 0.00 N ATOM 282 CA GLU A 27 7.454 -3.664 -7.543 1.00 0.00 C ATOM 283 C GLU A 27 7.265 -4.595 -6.350 1.00 0.00 C ATOM 284 O GLU A 27 7.731 -5.735 -6.358 1.00 0.00 O ATOM 285 CB GLU A 27 8.670 -2.765 -7.313 1.00 0.00 C ATOM 286 CG GLU A 27 9.241 -2.174 -8.592 1.00 0.00 C ATOM 287 CD GLU A 27 10.416 -1.251 -8.333 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.468 -0.649 -7.241 1.00 0.00 O ATOM 289 OE2 GLU A 27 11.282 -1.130 -9.225 1.00 0.00 O ATOM 0 H GLU A 27 6.346 -1.885 -7.465 1.00 0.00 H new ATOM 0 HA GLU A 27 7.622 -4.271 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.390 -1.954 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.447 -3.341 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.557 -2.982 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.459 -1.623 -9.114 1.00 0.00 H new ATOM 296 N TRP A 28 6.577 -4.103 -5.325 1.00 0.00 N ATOM 297 CA TRP A 28 6.326 -4.890 -4.124 1.00 0.00 C ATOM 298 C TRP A 28 5.413 -6.073 -4.429 1.00 0.00 C ATOM 299 O TRP A 28 5.357 -7.038 -3.667 1.00 0.00 O ATOM 300 CB TRP A 28 5.701 -4.015 -3.037 1.00 0.00 C ATOM 301 CG TRP A 28 5.234 -4.793 -1.843 1.00 0.00 C ATOM 302 CD1 TRP A 28 5.986 -5.621 -1.060 1.00 0.00 C ATOM 303 CD2 TRP A 28 3.910 -4.815 -1.299 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.209 -6.157 -0.062 1.00 0.00 N ATOM 305 CE2 TRP A 28 3.932 -5.678 -0.185 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.709 -4.189 -1.642 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.798 -5.930 0.583 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.585 -4.440 -0.880 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.636 -5.303 0.223 1.00 0.00 C ATOM 0 H TRP A 28 6.183 -3.162 -5.302 1.00 0.00 H new ATOM 0 HA TRP A 28 7.281 -5.275 -3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.430 -3.272 -2.715 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.857 -3.470 -3.460 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.037 -5.825 -1.204 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.531 -6.807 0.655 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.660 -3.520 -2.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.834 -6.596 1.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.651 -3.963 -1.138 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.740 -5.477 0.801 1.00 0.00 H new ATOM 320 N ILE A 29 4.700 -5.991 -5.547 1.00 0.00 N ATOM 321 CA ILE A 29 3.791 -7.056 -5.952 1.00 0.00 C ATOM 322 C ILE A 29 4.461 -8.004 -6.941 1.00 0.00 C ATOM 323 O ILE A 29 4.115 -9.183 -7.021 1.00 0.00 O ATOM 324 CB ILE A 29 2.509 -6.489 -6.590 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.775 -5.587 -5.596 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.605 -7.620 -7.056 1.00 0.00 C ATOM 327 CD1 ILE A 29 0.700 -4.736 -6.234 1.00 0.00 C ATOM 0 H ILE A 29 4.734 -5.199 -6.188 1.00 0.00 H new ATOM 0 HA ILE A 29 3.526 -7.605 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 29 2.786 -5.891 -7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.325 -6.206 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.499 -4.936 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.703 -7.204 -7.505 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.131 -8.226 -7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.332 -8.242 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.221 -4.122 -5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.147 -4.091 -6.990 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.045 -5.380 -6.701 1.00 0.00 H new ATOM 339 N THR A 30 5.426 -7.482 -7.693 1.00 0.00 N ATOM 340 CA THR A 30 6.145 -8.281 -8.676 1.00 0.00 C ATOM 341 C THR A 30 7.374 -8.937 -8.058 1.00 0.00 C ATOM 342 O THR A 30 7.472 -10.164 -7.997 1.00 0.00 O ATOM 343 CB THR A 30 6.585 -7.427 -9.881 1.00 0.00 C ATOM 344 OG1 THR A 30 7.355 -6.306 -9.431 1.00 0.00 O ATOM 345 CG2 THR A 30 5.378 -6.939 -10.667 1.00 0.00 C ATOM 0 H THR A 30 5.727 -6.509 -7.639 1.00 0.00 H new ATOM 0 HA THR A 30 5.457 -9.054 -9.019 1.00 0.00 H new ATOM 0 HB THR A 30 7.197 -8.048 -10.535 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.632 -5.769 -10.202 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.713 -6.338 -11.513 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.811 -7.795 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.744 -6.333 -10.020 1.00 0.00 H new ATOM 353 N THR A 31 8.312 -8.115 -7.598 1.00 0.00 N ATOM 354 CA THR A 31 9.534 -8.616 -6.984 1.00 0.00 C ATOM 355 C THR A 31 9.224 -9.596 -5.859 1.00 0.00 C ATOM 356 O THR A 31 9.807 -10.678 -5.786 1.00 0.00 O ATOM 357 CB THR A 31 10.394 -7.466 -6.425 1.00 0.00 C ATOM 358 OG1 THR A 31 9.771 -6.907 -5.264 1.00 0.00 O ATOM 359 CG2 THR A 31 10.593 -6.381 -7.472 1.00 0.00 C ATOM 0 H THR A 31 8.248 -7.098 -7.640 1.00 0.00 H new ATOM 0 HA THR A 31 10.092 -9.131 -7.766 1.00 0.00 H new ATOM 0 HB THR A 31 11.369 -7.870 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.825 -6.734 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.203 -5.580 -7.054 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.095 -6.803 -8.343 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.624 -5.981 -7.770 1.00 0.00 H new ATOM 367 N ILE A 32 8.301 -9.211 -4.983 1.00 0.00 N ATOM 368 CA ILE A 32 7.911 -10.057 -3.862 1.00 0.00 C ATOM 369 C ILE A 32 6.700 -10.913 -4.215 1.00 0.00 C ATOM 370 O ILE A 32 5.826 -10.490 -4.972 1.00 0.00 O ATOM 371 CB ILE A 32 7.587 -9.220 -2.610 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.684 -8.183 -2.366 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.425 -10.123 -1.397 1.00 0.00 C ATOM 374 CD1 ILE A 32 10.055 -8.789 -2.164 1.00 0.00 C ATOM 0 H ILE A 32 7.810 -8.318 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 32 8.760 -10.705 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 32 6.647 -8.694 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.720 -7.498 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.424 -7.591 -1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.196 -9.517 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.612 -10.827 -1.574 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.351 -10.673 -1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.783 -7.995 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.036 -9.452 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.336 -9.357 -3.051 1.00 0.00 H new ATOM 386 N SER A 33 6.653 -12.120 -3.659 1.00 0.00 N ATOM 387 CA SER A 33 5.549 -13.037 -3.916 1.00 0.00 C ATOM 388 C SER A 33 5.007 -13.615 -2.612 1.00 0.00 C ATOM 389 O SER A 33 5.647 -14.456 -1.980 1.00 0.00 O ATOM 390 CB SER A 33 6.005 -14.170 -4.838 1.00 0.00 C ATOM 391 OG SER A 33 7.028 -13.734 -5.715 1.00 0.00 O ATOM 0 H SER A 33 7.366 -12.485 -3.028 1.00 0.00 H new ATOM 0 HA SER A 33 4.751 -12.478 -4.404 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.367 -15.006 -4.240 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.157 -14.535 -5.417 1.00 0.00 H new ATOM 0 HG SER A 33 7.303 -14.477 -6.292 1.00 0.00 H new ATOM 397 N ASP A 34 3.825 -13.157 -2.216 1.00 0.00 N ATOM 398 CA ASP A 34 3.195 -13.627 -0.988 1.00 0.00 C ATOM 399 C ASP A 34 4.034 -13.254 0.230 1.00 0.00 C ATOM 400 O ASP A 34 4.604 -14.109 0.909 1.00 0.00 O ATOM 401 CB ASP A 34 2.996 -15.143 -1.040 1.00 0.00 C ATOM 402 CG ASP A 34 2.099 -15.646 0.074 1.00 0.00 C ATOM 403 OD1 ASP A 34 1.994 -14.957 1.109 1.00 0.00 O ATOM 404 OD2 ASP A 34 1.503 -16.733 -0.089 1.00 0.00 O ATOM 0 H ASP A 34 3.283 -12.460 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 34 2.222 -13.143 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.564 -15.417 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.966 -15.637 -0.973 1.00 0.00 H new ATOM 409 N PRO A 35 4.113 -11.946 0.517 1.00 0.00 N ATOM 410 CA PRO A 35 4.880 -11.430 1.653 1.00 0.00 C ATOM 411 C PRO A 35 4.242 -11.783 2.993 1.00 0.00 C ATOM 412 O PRO A 35 3.298 -12.570 3.051 1.00 0.00 O ATOM 413 CB PRO A 35 4.862 -9.914 1.437 1.00 0.00 C ATOM 414 CG PRO A 35 3.633 -9.663 0.632 1.00 0.00 C ATOM 415 CD PRO A 35 3.459 -10.870 -0.248 1.00 0.00 C ATOM 0 HA PRO A 35 5.882 -11.857 1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.830 -9.379 2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.756 -9.578 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.766 -9.523 1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.736 -8.757 0.035 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.406 -11.088 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.927 -10.728 -1.222 1.00 0.00 H new ATOM 423 N MET A 36 4.764 -11.197 4.065 1.00 0.00 N ATOM 424 CA MET A 36 4.243 -11.450 5.404 1.00 0.00 C ATOM 425 C MET A 36 3.438 -10.257 5.908 1.00 0.00 C ATOM 426 O MET A 36 3.396 -9.208 5.264 1.00 0.00 O ATOM 427 CB MET A 36 5.388 -11.752 6.372 1.00 0.00 C ATOM 428 CG MET A 36 5.862 -13.197 6.321 1.00 0.00 C ATOM 429 SD MET A 36 4.642 -14.349 6.979 1.00 0.00 S ATOM 430 CE MET A 36 5.610 -15.185 8.234 1.00 0.00 C ATOM 0 H MET A 36 5.547 -10.544 4.033 1.00 0.00 H new ATOM 0 HA MET A 36 3.583 -12.316 5.352 1.00 0.00 H new ATOM 0 HB2 MET A 36 6.227 -11.095 6.145 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.066 -11.519 7.387 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.090 -13.465 5.289 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.789 -13.292 6.887 1.00 0.00 H new ATOM 0 HE1 MET A 36 4.992 -15.932 8.733 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.465 -15.674 7.768 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.963 -14.458 8.966 1.00 0.00 H new ATOM 440 N GLU A 37 2.799 -10.424 7.062 1.00 0.00 N ATOM 441 CA GLU A 37 1.995 -9.359 7.651 1.00 0.00 C ATOM 442 C GLU A 37 2.793 -8.063 7.744 1.00 0.00 C ATOM 443 O GLU A 37 2.243 -6.972 7.593 1.00 0.00 O ATOM 444 CB GLU A 37 1.504 -9.771 9.040 1.00 0.00 C ATOM 445 CG GLU A 37 2.626 -9.993 10.040 1.00 0.00 C ATOM 446 CD GLU A 37 2.117 -10.445 11.396 1.00 0.00 C ATOM 447 OE1 GLU A 37 1.216 -11.307 11.435 1.00 0.00 O ATOM 448 OE2 GLU A 37 2.623 -9.935 12.418 1.00 0.00 O ATOM 0 H GLU A 37 2.822 -11.286 7.607 1.00 0.00 H new ATOM 0 HA GLU A 37 1.134 -9.188 7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.834 -9.001 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.920 -10.687 8.953 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.315 -10.740 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.191 -9.068 10.158 1.00 0.00 H new ATOM 455 N GLU A 38 4.092 -8.190 7.994 1.00 0.00 N ATOM 456 CA GLU A 38 4.965 -7.027 8.108 1.00 0.00 C ATOM 457 C GLU A 38 4.857 -6.142 6.870 1.00 0.00 C ATOM 458 O GLU A 38 4.970 -4.919 6.957 1.00 0.00 O ATOM 459 CB GLU A 38 6.416 -7.470 8.307 1.00 0.00 C ATOM 460 CG GLU A 38 7.046 -8.069 7.061 1.00 0.00 C ATOM 461 CD GLU A 38 8.276 -8.901 7.372 1.00 0.00 C ATOM 462 OE1 GLU A 38 9.276 -8.325 7.849 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.239 -10.126 7.137 1.00 0.00 O ATOM 0 H GLU A 38 4.563 -9.086 8.121 1.00 0.00 H new ATOM 0 HA GLU A 38 4.646 -6.448 8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.008 -6.613 8.627 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.456 -8.203 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.311 -8.691 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.318 -7.267 6.375 1.00 0.00 H new ATOM 470 N ASP A 39 4.638 -6.768 5.719 1.00 0.00 N ATOM 471 CA ASP A 39 4.514 -6.038 4.463 1.00 0.00 C ATOM 472 C ASP A 39 3.130 -5.410 4.334 1.00 0.00 C ATOM 473 O ASP A 39 3.000 -4.229 4.015 1.00 0.00 O ATOM 474 CB ASP A 39 4.778 -6.969 3.279 1.00 0.00 C ATOM 475 CG ASP A 39 6.189 -7.524 3.283 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.448 -8.479 4.045 1.00 0.00 O ATOM 477 OD2 ASP A 39 7.033 -7.004 2.524 1.00 0.00 O ATOM 0 H ASP A 39 4.543 -7.780 5.630 1.00 0.00 H new ATOM 0 HA ASP A 39 5.257 -5.240 4.460 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.066 -7.794 3.303 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.606 -6.427 2.349 1.00 0.00 H new ATOM 482 N ILE A 40 2.097 -6.209 4.582 1.00 0.00 N ATOM 483 CA ILE A 40 0.723 -5.732 4.494 1.00 0.00 C ATOM 484 C ILE A 40 0.471 -4.596 5.478 1.00 0.00 C ATOM 485 O ILE A 40 -0.340 -3.705 5.221 1.00 0.00 O ATOM 486 CB ILE A 40 -0.285 -6.865 4.765 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.191 -7.932 3.672 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.698 -6.307 4.849 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.791 -9.038 3.990 1.00 0.00 C ATOM 0 H ILE A 40 2.186 -7.190 4.846 1.00 0.00 H new ATOM 0 HA ILE A 40 0.581 -5.366 3.477 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.041 -7.329 5.721 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.178 -8.367 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.100 -7.457 2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.399 -7.119 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.755 -5.580 5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.954 -5.821 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.805 -9.758 3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.787 -8.614 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.489 -9.539 4.909 1.00 0.00 H new ATOM 501 N LEU A 41 1.171 -4.632 6.607 1.00 0.00 N ATOM 502 CA LEU A 41 1.026 -3.603 7.631 1.00 0.00 C ATOM 503 C LEU A 41 1.745 -2.322 7.223 1.00 0.00 C ATOM 504 O LEU A 41 1.347 -1.225 7.611 1.00 0.00 O ATOM 505 CB LEU A 41 1.574 -4.106 8.967 1.00 0.00 C ATOM 506 CG LEU A 41 0.765 -5.208 9.653 1.00 0.00 C ATOM 507 CD1 LEU A 41 1.494 -5.714 10.888 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.622 -4.702 10.020 1.00 0.00 C ATOM 0 H LEU A 41 1.845 -5.363 6.836 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.036 -3.381 7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.587 -4.474 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.647 -3.259 9.649 1.00 0.00 H new ATOM 0 HG LEU A 41 0.654 -6.038 8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.904 -6.498 11.363 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.465 -6.116 10.598 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.637 -4.891 11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.183 -5.500 10.507 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.532 -3.854 10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.146 -4.389 9.117 1.00 0.00 H new ATOM 520 N GLN A 42 2.807 -2.470 6.435 1.00 0.00 N ATOM 521 CA GLN A 42 3.581 -1.325 5.973 1.00 0.00 C ATOM 522 C GLN A 42 2.769 -0.477 4.999 1.00 0.00 C ATOM 523 O GLN A 42 2.704 0.745 5.127 1.00 0.00 O ATOM 524 CB GLN A 42 4.875 -1.792 5.306 1.00 0.00 C ATOM 525 CG GLN A 42 6.013 -2.032 6.286 1.00 0.00 C ATOM 526 CD GLN A 42 6.659 -0.743 6.754 1.00 0.00 C ATOM 527 OE1 GLN A 42 7.012 0.117 5.948 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.820 -0.604 8.065 1.00 0.00 N ATOM 0 H GLN A 42 3.150 -3.372 6.104 1.00 0.00 H new ATOM 0 HA GLN A 42 3.829 -0.713 6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.679 -2.713 4.757 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.187 -1.046 4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.635 -2.579 7.150 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.767 -2.662 5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.513 -1.343 8.698 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.251 0.241 8.439 1.00 0.00 H new ATOM 537 N VAL A 43 2.152 -1.135 4.021 1.00 0.00 N ATOM 538 CA VAL A 43 1.345 -0.443 3.025 1.00 0.00 C ATOM 539 C VAL A 43 0.160 0.266 3.673 1.00 0.00 C ATOM 540 O VAL A 43 -0.252 1.339 3.233 1.00 0.00 O ATOM 541 CB VAL A 43 0.822 -1.416 1.951 1.00 0.00 C ATOM 542 CG1 VAL A 43 1.970 -1.943 1.104 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.056 -2.560 2.597 1.00 0.00 C ATOM 0 H VAL A 43 2.197 -2.147 3.899 1.00 0.00 H new ATOM 0 HA VAL A 43 1.992 0.295 2.552 1.00 0.00 H new ATOM 0 HB VAL A 43 0.138 -0.875 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.582 -2.629 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.471 -1.110 0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.681 -2.469 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.306 -3.238 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.715 -3.102 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.791 -2.161 3.156 1.00 0.00 H new ATOM 553 N VAL A 44 -0.383 -0.342 4.724 1.00 0.00 N ATOM 554 CA VAL A 44 -1.520 0.231 5.434 1.00 0.00 C ATOM 555 C VAL A 44 -1.126 1.512 6.160 1.00 0.00 C ATOM 556 O VAL A 44 -1.908 2.459 6.238 1.00 0.00 O ATOM 557 CB VAL A 44 -2.103 -0.764 6.454 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.203 -0.107 7.274 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.625 -2.007 5.747 1.00 0.00 C ATOM 0 H VAL A 44 -0.054 -1.230 5.102 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.278 0.460 4.685 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.307 -1.067 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.603 -0.826 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.795 0.750 7.810 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.001 0.227 6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.033 -2.700 6.483 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.407 -1.723 5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.809 -2.489 5.209 1.00 0.00 H new ATOM 569 N ARG A 45 0.093 1.535 6.689 1.00 0.00 N ATOM 570 CA ARG A 45 0.592 2.700 7.408 1.00 0.00 C ATOM 571 C ARG A 45 0.680 3.913 6.486 1.00 0.00 C ATOM 572 O ARG A 45 0.317 5.025 6.869 1.00 0.00 O ATOM 573 CB ARG A 45 1.967 2.404 8.012 1.00 0.00 C ATOM 574 CG ARG A 45 1.904 1.646 9.327 1.00 0.00 C ATOM 575 CD ARG A 45 1.541 2.566 10.483 1.00 0.00 C ATOM 576 NE ARG A 45 1.295 1.824 11.716 1.00 0.00 N ATOM 577 CZ ARG A 45 0.774 2.369 12.810 1.00 0.00 C ATOM 578 NH1 ARG A 45 0.447 3.653 12.824 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.579 1.627 13.894 1.00 0.00 N ATOM 0 H ARG A 45 0.753 0.759 6.633 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.109 2.926 8.211 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.552 1.826 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.495 3.344 8.169 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.168 0.846 9.252 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.867 1.175 9.524 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.348 3.281 10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.653 3.142 10.223 1.00 0.00 H new ATOM 0 HE ARG A 45 1.536 0.833 11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.595 4.226 11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.047 4.068 13.665 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.829 0.638 13.887 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.179 2.046 14.734 1.00 0.00 H new ATOM 593 N TYR A 46 1.165 3.690 5.270 1.00 0.00 N ATOM 594 CA TYR A 46 1.304 4.765 4.294 1.00 0.00 C ATOM 595 C TYR A 46 -0.054 5.375 3.960 1.00 0.00 C ATOM 596 O TYR A 46 -0.210 6.597 3.943 1.00 0.00 O ATOM 597 CB TYR A 46 1.969 4.242 3.019 1.00 0.00 C ATOM 598 CG TYR A 46 1.691 5.091 1.800 1.00 0.00 C ATOM 599 CD1 TYR A 46 1.872 6.468 1.832 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.249 4.516 0.614 1.00 0.00 C ATOM 601 CE1 TYR A 46 1.620 7.248 0.720 1.00 0.00 C ATOM 602 CE2 TYR A 46 0.995 5.288 -0.503 1.00 0.00 C ATOM 603 CZ TYR A 46 1.182 6.654 -0.445 1.00 0.00 C ATOM 604 OH TYR A 46 0.929 7.426 -1.555 1.00 0.00 O ATOM 0 H TYR A 46 1.468 2.775 4.936 1.00 0.00 H new ATOM 0 HA TYR A 46 1.933 5.540 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.046 4.189 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.624 3.225 2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.216 6.937 2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.102 3.447 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.765 8.317 0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.652 4.825 -1.417 1.00 0.00 H new ATOM 0 HH TYR A 46 1.327 8.313 -1.434 1.00 0.00 H new ATOM 614 N CYS A 47 -1.032 4.516 3.695 1.00 0.00 N ATOM 615 CA CYS A 47 -2.378 4.970 3.361 1.00 0.00 C ATOM 616 C CYS A 47 -3.051 5.611 4.570 1.00 0.00 C ATOM 617 O CYS A 47 -3.566 6.726 4.489 1.00 0.00 O ATOM 618 CB CYS A 47 -3.221 3.799 2.853 1.00 0.00 C ATOM 619 SG CYS A 47 -2.481 2.905 1.466 1.00 0.00 S ATOM 0 H CYS A 47 -0.919 3.502 3.705 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.298 5.719 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.387 3.102 3.674 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.199 4.173 2.550 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.508 2.160 1.900 1.00 0.00 H new ATOM 625 N THR A 48 -3.046 4.897 5.691 1.00 0.00 N ATOM 626 CA THR A 48 -3.659 5.394 6.917 1.00 0.00 C ATOM 627 C THR A 48 -3.052 6.730 7.332 1.00 0.00 C ATOM 628 O THR A 48 -3.770 7.703 7.563 1.00 0.00 O ATOM 629 CB THR A 48 -3.499 4.389 8.072 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.978 3.101 7.671 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.260 4.856 9.305 1.00 0.00 C ATOM 0 H THR A 48 -2.624 3.972 5.775 1.00 0.00 H new ATOM 0 HA THR A 48 -4.720 5.529 6.708 1.00 0.00 H new ATOM 0 HB THR A 48 -2.440 4.321 8.321 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.368 2.717 7.007 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.132 4.130 10.108 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.874 5.824 9.626 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.319 4.949 9.065 1.00 0.00 H new ATOM 639 N ASP A 49 -1.728 6.768 7.426 1.00 0.00 N ATOM 640 CA ASP A 49 -1.024 7.986 7.812 1.00 0.00 C ATOM 641 C ASP A 49 -1.359 9.132 6.863 1.00 0.00 C ATOM 642 O ASP A 49 -1.275 10.303 7.232 1.00 0.00 O ATOM 643 CB ASP A 49 0.487 7.744 7.827 1.00 0.00 C ATOM 644 CG ASP A 49 0.917 6.841 8.966 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.058 6.489 9.801 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.113 6.486 9.023 1.00 0.00 O ATOM 0 H ASP A 49 -1.120 5.970 7.240 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.350 8.262 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.790 7.298 6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.004 8.700 7.910 1.00 0.00 H new ATOM 651 N LEU A 50 -1.738 8.786 5.638 1.00 0.00 N ATOM 652 CA LEU A 50 -2.085 9.786 4.634 1.00 0.00 C ATOM 653 C LEU A 50 -3.352 10.538 5.028 1.00 0.00 C ATOM 654 O LEU A 50 -3.429 11.759 4.891 1.00 0.00 O ATOM 655 CB LEU A 50 -2.277 9.122 3.269 1.00 0.00 C ATOM 656 CG LEU A 50 -1.416 9.670 2.129 1.00 0.00 C ATOM 657 CD1 LEU A 50 0.059 9.436 2.414 1.00 0.00 C ATOM 658 CD2 LEU A 50 -1.814 9.030 0.806 1.00 0.00 C ATOM 0 H LEU A 50 -1.813 7.821 5.316 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.265 10.501 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.071 8.057 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.325 9.218 2.985 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.584 10.744 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.656 9.832 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.335 9.941 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.245 8.367 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.192 9.431 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.675 7.951 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.861 9.249 0.596 1.00 0.00 H new ATOM 670 N ILE A 51 -4.342 9.800 5.521 1.00 0.00 N ATOM 671 CA ILE A 51 -5.603 10.398 5.939 1.00 0.00 C ATOM 672 C ILE A 51 -5.406 11.314 7.143 1.00 0.00 C ATOM 673 O ILE A 51 -6.202 12.221 7.380 1.00 0.00 O ATOM 674 CB ILE A 51 -6.646 9.321 6.293 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.922 8.429 5.081 1.00 0.00 C ATOM 676 CG2 ILE A 51 -7.933 9.970 6.783 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.160 6.979 5.441 1.00 0.00 C ATOM 0 H ILE A 51 -4.294 8.788 5.640 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.969 10.984 5.096 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.247 8.700 7.095 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.794 8.811 4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.078 8.491 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.660 9.196 7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.724 10.567 7.671 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.337 10.612 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.349 6.405 4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.280 6.580 5.946 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.023 6.905 6.103 1.00 0.00 H new ATOM 689 N GLU A 52 -4.338 11.069 7.896 1.00 0.00 N ATOM 690 CA GLU A 52 -4.036 11.874 9.075 1.00 0.00 C ATOM 691 C GLU A 52 -3.514 13.251 8.673 1.00 0.00 C ATOM 692 O GLU A 52 -3.617 14.211 9.437 1.00 0.00 O ATOM 693 CB GLU A 52 -3.007 11.163 9.954 1.00 0.00 C ATOM 694 CG GLU A 52 -3.436 9.772 10.390 1.00 0.00 C ATOM 695 CD GLU A 52 -4.679 9.790 11.260 1.00 0.00 C ATOM 696 OE1 GLU A 52 -4.560 10.119 12.458 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.769 9.476 10.740 1.00 0.00 O ATOM 0 H GLU A 52 -3.669 10.322 7.712 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.958 12.005 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.065 11.090 9.410 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.817 11.770 10.839 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.624 9.161 9.507 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.621 9.299 10.938 1.00 0.00 H new ATOM 704 N GLU A 53 -2.955 13.338 7.471 1.00 0.00 N ATOM 705 CA GLU A 53 -2.415 14.597 6.970 1.00 0.00 C ATOM 706 C GLU A 53 -3.299 15.166 5.865 1.00 0.00 C ATOM 707 O GLU A 53 -2.918 16.112 5.173 1.00 0.00 O ATOM 708 CB GLU A 53 -0.991 14.396 6.447 1.00 0.00 C ATOM 709 CG GLU A 53 -0.847 13.201 5.519 1.00 0.00 C ATOM 710 CD GLU A 53 0.510 13.147 4.845 1.00 0.00 C ATOM 711 OE1 GLU A 53 1.307 14.088 5.041 1.00 0.00 O ATOM 712 OE2 GLU A 53 0.774 12.165 4.119 1.00 0.00 O ATOM 0 H GLU A 53 -2.864 12.553 6.826 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.393 15.307 7.796 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.677 15.296 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.316 14.271 7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.003 12.284 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.626 13.241 4.757 1.00 0.00 H new ATOM 719 N LYS A 54 -4.482 14.583 5.701 1.00 0.00 N ATOM 720 CA LYS A 54 -5.422 15.030 4.681 1.00 0.00 C ATOM 721 C LYS A 54 -4.851 14.814 3.283 1.00 0.00 C ATOM 722 O LYS A 54 -5.355 15.366 2.304 1.00 0.00 O ATOM 723 CB LYS A 54 -5.760 16.509 4.882 1.00 0.00 C ATOM 724 CG LYS A 54 -6.031 16.879 6.330 1.00 0.00 C ATOM 725 CD LYS A 54 -7.297 17.709 6.465 1.00 0.00 C ATOM 726 CE LYS A 54 -7.453 18.263 7.872 1.00 0.00 C ATOM 727 NZ LYS A 54 -8.038 19.633 7.869 1.00 0.00 N ATOM 0 H LYS A 54 -4.812 13.798 6.263 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.333 14.439 4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.935 17.116 4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.635 16.758 4.282 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.124 15.972 6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.184 17.438 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.272 18.531 5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.163 17.096 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.090 17.598 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.480 18.285 8.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.128 19.974 8.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.418 20.274 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.977 19.608 7.423 1.00 0.00 H new ATOM 741 N ASP A 55 -3.800 14.006 3.196 1.00 0.00 N ATOM 742 CA ASP A 55 -3.162 13.715 1.918 1.00 0.00 C ATOM 743 C ASP A 55 -3.665 12.393 1.349 1.00 0.00 C ATOM 744 O ASP A 55 -2.973 11.737 0.568 1.00 0.00 O ATOM 745 CB ASP A 55 -1.642 13.670 2.081 1.00 0.00 C ATOM 746 CG ASP A 55 -1.071 14.988 2.566 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.857 15.937 2.767 1.00 0.00 O ATOM 748 OD2 ASP A 55 0.162 15.070 2.743 1.00 0.00 O ATOM 0 H ASP A 55 -3.372 13.541 3.996 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.421 14.512 1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.379 12.882 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.185 13.409 1.126 1.00 0.00 H new ATOM 753 N LEU A 56 -4.873 12.006 1.745 1.00 0.00 N ATOM 754 CA LEU A 56 -5.469 10.760 1.274 1.00 0.00 C ATOM 755 C LEU A 56 -5.761 10.826 -0.221 1.00 0.00 C ATOM 756 O LEU A 56 -6.089 9.817 -0.844 1.00 0.00 O ATOM 757 CB LEU A 56 -6.758 10.466 2.044 1.00 0.00 C ATOM 758 CG LEU A 56 -7.632 11.676 2.377 1.00 0.00 C ATOM 759 CD1 LEU A 56 -7.917 12.489 1.124 1.00 0.00 C ATOM 760 CD2 LEU A 56 -8.929 11.232 3.035 1.00 0.00 C ATOM 0 H LEU A 56 -5.458 12.536 2.390 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.755 9.955 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.353 9.763 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.495 9.966 2.976 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.091 12.309 3.080 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.540 13.346 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.978 12.839 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.438 11.866 0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.538 12.106 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.476 10.577 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.704 10.694 3.956 1.00 0.00 H new ATOM 772 N GLU A 57 -5.637 12.021 -0.791 1.00 0.00 N ATOM 773 CA GLU A 57 -5.886 12.218 -2.214 1.00 0.00 C ATOM 774 C GLU A 57 -5.099 11.211 -3.048 1.00 0.00 C ATOM 775 O GLU A 57 -5.605 10.673 -4.033 1.00 0.00 O ATOM 776 CB GLU A 57 -5.513 13.643 -2.628 1.00 0.00 C ATOM 777 CG GLU A 57 -6.510 14.691 -2.167 1.00 0.00 C ATOM 778 CD GLU A 57 -6.492 15.935 -3.035 1.00 0.00 C ATOM 779 OE1 GLU A 57 -5.399 16.316 -3.501 1.00 0.00 O ATOM 780 OE2 GLU A 57 -7.571 16.527 -3.247 1.00 0.00 O ATOM 0 H GLU A 57 -5.366 12.867 -0.289 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.949 12.062 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.531 13.885 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.429 13.687 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.512 14.262 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.289 14.968 -1.136 1.00 0.00 H new ATOM 787 N LYS A 58 -3.857 10.962 -2.648 1.00 0.00 N ATOM 788 CA LYS A 58 -2.997 10.021 -3.356 1.00 0.00 C ATOM 789 C LYS A 58 -3.464 8.586 -3.134 1.00 0.00 C ATOM 790 O LYS A 58 -3.440 7.765 -4.052 1.00 0.00 O ATOM 791 CB LYS A 58 -1.548 10.174 -2.893 1.00 0.00 C ATOM 792 CG LYS A 58 -0.794 11.281 -3.609 1.00 0.00 C ATOM 793 CD LYS A 58 0.234 11.935 -2.702 1.00 0.00 C ATOM 794 CE LYS A 58 -0.318 13.193 -2.050 1.00 0.00 C ATOM 795 NZ LYS A 58 0.672 13.820 -1.131 1.00 0.00 N ATOM 0 H LYS A 58 -3.423 11.400 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.056 10.244 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.537 10.373 -1.821 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.025 9.231 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.296 10.873 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.500 12.033 -3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.542 11.229 -1.931 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.124 12.184 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.601 13.908 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.224 12.948 -1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.259 14.675 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.923 13.146 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.527 14.078 -1.665 1.00 0.00 H new ATOM 809 N LEU A 59 -3.890 8.290 -1.911 1.00 0.00 N ATOM 810 CA LEU A 59 -4.364 6.953 -1.568 1.00 0.00 C ATOM 811 C LEU A 59 -5.493 6.521 -2.498 1.00 0.00 C ATOM 812 O LEU A 59 -5.503 5.396 -2.999 1.00 0.00 O ATOM 813 CB LEU A 59 -4.841 6.916 -0.116 1.00 0.00 C ATOM 814 CG LEU A 59 -5.822 5.799 0.240 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.170 4.438 0.056 1.00 0.00 C ATOM 816 CD2 LEU A 59 -6.324 5.963 1.668 1.00 0.00 C ATOM 0 H LEU A 59 -3.917 8.957 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.533 6.258 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.968 6.825 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.310 7.872 0.116 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.676 5.865 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.883 3.655 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.861 4.320 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.297 4.362 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.021 5.159 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.480 5.925 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.831 6.923 1.768 1.00 0.00 H new ATOM 828 N ASP A 60 -6.442 7.422 -2.726 1.00 0.00 N ATOM 829 CA ASP A 60 -7.575 7.136 -3.598 1.00 0.00 C ATOM 830 C ASP A 60 -7.101 6.587 -4.942 1.00 0.00 C ATOM 831 O ASP A 60 -7.726 5.693 -5.514 1.00 0.00 O ATOM 832 CB ASP A 60 -8.411 8.398 -3.816 1.00 0.00 C ATOM 833 CG ASP A 60 -9.556 8.175 -4.784 1.00 0.00 C ATOM 834 OD1 ASP A 60 -10.549 7.529 -4.391 1.00 0.00 O ATOM 835 OD2 ASP A 60 -9.458 8.646 -5.936 1.00 0.00 O ATOM 0 H ASP A 60 -6.449 8.357 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.193 6.380 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.809 8.736 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.770 9.194 -4.194 1.00 0.00 H new ATOM 840 N LEU A 61 -5.996 7.129 -5.439 1.00 0.00 N ATOM 841 CA LEU A 61 -5.438 6.695 -6.715 1.00 0.00 C ATOM 842 C LEU A 61 -4.736 5.349 -6.573 1.00 0.00 C ATOM 843 O LEU A 61 -4.685 4.559 -7.517 1.00 0.00 O ATOM 844 CB LEU A 61 -4.458 7.741 -7.248 1.00 0.00 C ATOM 845 CG LEU A 61 -4.908 9.199 -7.141 1.00 0.00 C ATOM 846 CD1 LEU A 61 -3.757 10.138 -7.464 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.088 9.461 -8.066 1.00 0.00 C ATOM 0 H LEU A 61 -5.468 7.870 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.259 6.582 -7.423 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.515 7.633 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.256 7.520 -8.296 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.226 9.387 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.096 11.171 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.941 9.968 -6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.408 9.950 -8.479 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.395 10.503 -7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.796 9.255 -9.096 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.919 8.813 -7.788 1.00 0.00 H new ATOM 859 N VAL A 62 -4.194 5.092 -5.387 1.00 0.00 N ATOM 860 CA VAL A 62 -3.498 3.840 -5.119 1.00 0.00 C ATOM 861 C VAL A 62 -4.468 2.665 -5.094 1.00 0.00 C ATOM 862 O VAL A 62 -4.142 1.568 -5.546 1.00 0.00 O ATOM 863 CB VAL A 62 -2.739 3.895 -3.780 1.00 0.00 C ATOM 864 CG1 VAL A 62 -2.057 2.564 -3.496 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.728 5.031 -3.786 1.00 0.00 C ATOM 0 H VAL A 62 -4.224 5.735 -4.596 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.782 3.697 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.458 4.084 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.526 2.623 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.807 1.775 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.349 2.340 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.201 5.054 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.011 4.876 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.246 5.978 -3.938 1.00 0.00 H new ATOM 875 N ILE A 63 -5.663 2.903 -4.561 1.00 0.00 N ATOM 876 CA ILE A 63 -6.681 1.864 -4.478 1.00 0.00 C ATOM 877 C ILE A 63 -6.968 1.264 -5.851 1.00 0.00 C ATOM 878 O ILE A 63 -7.171 0.057 -5.983 1.00 0.00 O ATOM 879 CB ILE A 63 -7.994 2.409 -3.885 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.754 2.958 -2.477 1.00 0.00 C ATOM 881 CG2 ILE A 63 -9.057 1.321 -3.860 1.00 0.00 C ATOM 882 CD1 ILE A 63 -7.167 1.941 -1.524 1.00 0.00 C ATOM 0 H ILE A 63 -5.949 3.805 -4.181 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.288 1.089 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.350 3.223 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.083 3.815 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.698 3.321 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.979 1.722 -3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -9.245 0.972 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.711 0.488 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.024 2.400 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.847 1.094 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.207 1.595 -1.907 1.00 0.00 H new ATOM 894 N LYS A 64 -6.981 2.115 -6.871 1.00 0.00 N ATOM 895 CA LYS A 64 -7.241 1.670 -8.235 1.00 0.00 C ATOM 896 C LYS A 64 -6.042 0.910 -8.795 1.00 0.00 C ATOM 897 O LYS A 64 -6.193 0.039 -9.653 1.00 0.00 O ATOM 898 CB LYS A 64 -7.563 2.868 -9.132 1.00 0.00 C ATOM 899 CG LYS A 64 -8.562 3.834 -8.520 1.00 0.00 C ATOM 900 CD LYS A 64 -9.929 3.191 -8.354 1.00 0.00 C ATOM 901 CE LYS A 64 -10.590 2.929 -9.698 1.00 0.00 C ATOM 902 NZ LYS A 64 -10.734 4.176 -10.498 1.00 0.00 N ATOM 0 H LYS A 64 -6.814 3.117 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.099 0.998 -8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.640 3.404 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.956 2.505 -10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.197 4.170 -7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.649 4.718 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.827 2.253 -7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.567 3.840 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.999 2.204 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.572 2.484 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.428 4.023 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.060 4.948 -9.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.815 4.429 -10.914 1.00 0.00 H new ATOM 916 N TYR A 65 -4.853 1.245 -8.305 1.00 0.00 N ATOM 917 CA TYR A 65 -3.629 0.595 -8.759 1.00 0.00 C ATOM 918 C TYR A 65 -3.452 -0.763 -8.086 1.00 0.00 C ATOM 919 O TYR A 65 -2.955 -1.710 -8.695 1.00 0.00 O ATOM 920 CB TYR A 65 -2.418 1.482 -8.468 1.00 0.00 C ATOM 921 CG TYR A 65 -1.278 1.289 -9.442 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.467 1.476 -10.807 1.00 0.00 C ATOM 923 CD2 TYR A 65 -0.014 0.918 -9.000 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.428 1.300 -11.701 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.030 0.742 -9.887 1.00 0.00 C ATOM 926 CZ TYR A 65 0.818 0.934 -11.237 1.00 0.00 C ATOM 927 OH TYR A 65 1.855 0.758 -12.124 1.00 0.00 O ATOM 0 H TYR A 65 -4.711 1.962 -7.594 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.707 0.440 -9.835 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.730 2.526 -8.489 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.061 1.276 -7.459 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.441 1.763 -11.174 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.155 0.765 -7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.591 1.448 -12.758 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.007 0.456 -9.526 1.00 0.00 H new ATOM 0 HH TYR A 65 2.664 0.502 -11.634 1.00 0.00 H new ATOM 937 N MET A 66 -3.867 -0.850 -6.826 1.00 0.00 N ATOM 938 CA MET A 66 -3.757 -2.092 -6.070 1.00 0.00 C ATOM 939 C MET A 66 -4.806 -3.101 -6.524 1.00 0.00 C ATOM 940 O MET A 66 -4.498 -4.269 -6.762 1.00 0.00 O ATOM 941 CB MET A 66 -3.910 -1.818 -4.573 1.00 0.00 C ATOM 942 CG MET A 66 -2.603 -1.462 -3.882 1.00 0.00 C ATOM 943 SD MET A 66 -2.706 -1.598 -2.087 1.00 0.00 S ATOM 944 CE MET A 66 -3.883 -0.300 -1.716 1.00 0.00 C ATOM 0 H MET A 66 -4.282 -0.076 -6.308 1.00 0.00 H new ATOM 0 HA MET A 66 -2.769 -2.514 -6.256 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.619 -1.003 -4.432 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.337 -2.698 -4.093 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.813 -2.118 -4.247 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.321 -0.444 -4.150 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.437 0.406 -1.016 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.152 0.221 -2.635 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.777 -0.736 -1.271 1.00 0.00 H new ATOM 954 N LYS A 67 -6.048 -2.642 -6.644 1.00 0.00 N ATOM 955 CA LYS A 67 -7.143 -3.503 -7.072 1.00 0.00 C ATOM 956 C LYS A 67 -6.890 -4.051 -8.473 1.00 0.00 C ATOM 957 O LYS A 67 -7.229 -5.197 -8.772 1.00 0.00 O ATOM 958 CB LYS A 67 -8.465 -2.732 -7.046 1.00 0.00 C ATOM 959 CG LYS A 67 -8.556 -1.643 -8.102 1.00 0.00 C ATOM 960 CD LYS A 67 -9.862 -0.875 -8.000 1.00 0.00 C ATOM 961 CE LYS A 67 -11.061 -1.777 -8.250 1.00 0.00 C ATOM 962 NZ LYS A 67 -12.331 -1.004 -8.318 1.00 0.00 N ATOM 0 H LYS A 67 -6.320 -1.678 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.204 -4.342 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.288 -3.433 -7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.595 -2.283 -6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.718 -0.955 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.471 -2.088 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.944 -0.425 -7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.863 -0.059 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.917 -2.322 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.130 -2.519 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.124 -1.654 -8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.481 -0.504 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.276 -0.313 -9.093 1.00 0.00 H new ATOM 976 N ARG A 68 -6.292 -3.228 -9.326 1.00 0.00 N ATOM 977 CA ARG A 68 -5.994 -3.631 -10.696 1.00 0.00 C ATOM 978 C ARG A 68 -4.725 -4.478 -10.748 1.00 0.00 C ATOM 979 O ARG A 68 -4.522 -5.253 -11.684 1.00 0.00 O ATOM 980 CB ARG A 68 -5.835 -2.399 -11.589 1.00 0.00 C ATOM 981 CG ARG A 68 -4.522 -1.663 -11.384 1.00 0.00 C ATOM 982 CD ARG A 68 -4.400 -0.469 -12.318 1.00 0.00 C ATOM 983 NE ARG A 68 -4.277 -0.879 -13.715 1.00 0.00 N ATOM 984 CZ ARG A 68 -4.124 -0.025 -14.720 1.00 0.00 C ATOM 985 NH1 ARG A 68 -4.075 1.280 -14.485 1.00 0.00 N ATOM 986 NH2 ARG A 68 -4.020 -0.474 -15.965 1.00 0.00 N ATOM 0 H ARG A 68 -6.004 -2.278 -9.094 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.827 -4.231 -11.062 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.911 -2.705 -12.632 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.660 -1.713 -11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.450 -1.326 -10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.690 -2.346 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.274 0.172 -12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.530 0.125 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.310 -1.876 -13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.155 1.630 -13.530 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.957 1.934 -15.259 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.058 -1.476 -16.150 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.903 0.183 -16.736 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.876 -4.325 -9.739 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.626 -5.075 -9.670 1.00 0.00 C ATOM 1002 C LEU A 69 -2.863 -6.476 -9.116 1.00 0.00 C ATOM 1003 O LEU A 69 -2.515 -7.471 -9.750 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.610 -4.333 -8.799 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.680 -3.364 -9.530 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.149 -2.568 -8.534 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.220 -4.116 -10.498 1.00 0.00 C ATOM 0 H LEU A 69 -4.030 -3.689 -8.957 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.229 -5.167 -10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.154 -3.777 -8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.998 -5.071 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.290 -2.666 -10.103 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.805 -1.883 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.513 -1.999 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.750 -3.251 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.875 -3.410 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.824 -4.838 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.392 -4.640 -11.232 1.00 0.00 H new ATOM 1019 N MET A 70 -3.457 -6.544 -7.930 1.00 0.00 N ATOM 1020 CA MET A 70 -3.743 -7.824 -7.292 1.00 0.00 C ATOM 1021 C MET A 70 -4.565 -8.719 -8.214 1.00 0.00 C ATOM 1022 O MET A 70 -4.522 -9.945 -8.103 1.00 0.00 O ATOM 1023 CB MET A 70 -4.491 -7.607 -5.974 1.00 0.00 C ATOM 1024 CG MET A 70 -3.573 -7.455 -4.773 1.00 0.00 C ATOM 1025 SD MET A 70 -2.765 -5.844 -4.714 1.00 0.00 S ATOM 1026 CE MET A 70 -2.162 -5.829 -3.027 1.00 0.00 C ATOM 0 H MET A 70 -3.750 -5.729 -7.391 1.00 0.00 H new ATOM 0 HA MET A 70 -2.794 -8.318 -7.085 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.113 -6.716 -6.061 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.162 -8.449 -5.804 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.149 -7.601 -3.860 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.814 -8.237 -4.800 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.654 -5.030 -2.472 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.379 -6.787 -2.554 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.085 -5.660 -3.027 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.312 -8.100 -9.122 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.144 -8.843 -10.061 1.00 0.00 C ATOM 1038 C GLN A 71 -5.290 -9.730 -10.961 1.00 0.00 C ATOM 1039 O GLN A 71 -5.648 -10.875 -11.238 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.973 -7.879 -10.914 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.328 -7.547 -10.312 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.007 -6.384 -11.010 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.843 -6.187 -12.215 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -9.775 -5.608 -10.256 1.00 0.00 N ATOM 0 H GLN A 71 -5.358 -7.087 -9.227 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.817 -9.480 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.411 -6.956 -11.054 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.121 -8.316 -11.902 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.971 -8.425 -10.368 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.204 -7.309 -9.255 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.882 -5.808 -9.262 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.258 -4.811 -10.671 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.161 -9.195 -11.413 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.257 -9.939 -12.281 1.00 0.00 C ATOM 1055 C GLN A 72 -2.736 -11.190 -11.582 1.00 0.00 C ATOM 1056 O GLN A 72 -2.316 -12.147 -12.231 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.085 -9.055 -12.711 1.00 0.00 C ATOM 1058 CG GLN A 72 -0.970 -8.980 -11.680 1.00 0.00 C ATOM 1059 CD GLN A 72 -0.327 -7.608 -11.615 1.00 0.00 C ATOM 1060 OE1 GLN A 72 -0.631 -6.728 -12.421 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.566 -7.419 -10.651 1.00 0.00 N ATOM 0 H GLN A 72 -3.850 -8.249 -11.192 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.815 -10.246 -13.166 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.678 -9.436 -13.648 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.453 -8.049 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.370 -9.237 -10.699 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.209 -9.723 -11.919 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.787 -8.177 -10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.031 -6.516 -10.556 1.00 0.00 H new ATOM 1070 N SER A 73 -2.766 -11.175 -10.253 1.00 0.00 N ATOM 1071 CA SER A 73 -2.293 -12.305 -9.464 1.00 0.00 C ATOM 1072 C SER A 73 -3.447 -13.233 -9.098 1.00 0.00 C ATOM 1073 O SER A 73 -4.589 -12.796 -8.961 1.00 0.00 O ATOM 1074 CB SER A 73 -1.595 -11.813 -8.194 1.00 0.00 C ATOM 1075 OG SER A 73 -0.636 -12.754 -7.743 1.00 0.00 O ATOM 0 H SER A 73 -3.113 -10.391 -9.700 1.00 0.00 H new ATOM 0 HA SER A 73 -1.578 -12.864 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.108 -10.858 -8.390 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.335 -11.640 -7.412 1.00 0.00 H new ATOM 0 HG SER A 73 -0.367 -12.533 -6.827 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.139 -14.516 -8.939 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.149 -15.507 -8.587 1.00 0.00 C ATOM 1083 C VAL A 74 -4.000 -15.952 -7.137 1.00 0.00 C ATOM 1084 O VAL A 74 -4.942 -16.470 -6.536 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.068 -16.742 -9.503 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.155 -16.331 -10.964 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.788 -17.520 -9.235 1.00 0.00 C ATOM 0 H VAL A 74 -2.198 -14.894 -9.048 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.120 -15.030 -8.720 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.915 -17.392 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.096 -17.217 -11.595 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.101 -15.821 -11.143 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.330 -15.660 -11.203 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.747 -18.390 -9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.927 -16.880 -9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.773 -17.848 -8.196 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.811 -15.747 -6.579 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.539 -16.129 -5.198 1.00 0.00 C ATOM 1099 C GLU A 75 -3.596 -15.558 -4.258 1.00 0.00 C ATOM 1100 O GLU A 75 -3.766 -14.343 -4.162 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.150 -15.643 -4.776 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.051 -16.016 -5.757 1.00 0.00 C ATOM 1103 CD GLU A 75 -0.062 -17.490 -6.113 1.00 0.00 C ATOM 1104 OE1 GLU A 75 -0.284 -18.318 -5.205 1.00 0.00 O ATOM 1105 OE2 GLU A 75 0.151 -17.814 -7.300 1.00 0.00 O ATOM 0 H GLU A 75 -2.021 -15.319 -7.062 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.571 -17.217 -5.135 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.172 -14.559 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.910 -16.060 -3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.165 -15.426 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.917 -15.757 -5.328 1.00 0.00 H new ATOM 1112 N SER A 76 -4.305 -16.446 -3.567 1.00 0.00 N ATOM 1113 CA SER A 76 -5.350 -16.032 -2.637 1.00 0.00 C ATOM 1114 C SER A 76 -4.790 -15.091 -1.574 1.00 0.00 C ATOM 1115 O SER A 76 -5.521 -14.295 -0.986 1.00 0.00 O ATOM 1116 CB SER A 76 -5.982 -17.255 -1.971 1.00 0.00 C ATOM 1117 OG SER A 76 -6.002 -18.364 -2.853 1.00 0.00 O ATOM 0 H SER A 76 -4.175 -17.455 -3.634 1.00 0.00 H new ATOM 0 HA SER A 76 -6.115 -15.499 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.423 -17.512 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.999 -17.017 -1.658 1.00 0.00 H new ATOM 0 HG SER A 76 -6.409 -19.133 -2.402 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.486 -15.190 -1.333 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.826 -14.349 -0.342 1.00 0.00 C ATOM 1125 C VAL A 77 -2.860 -12.883 -0.757 1.00 0.00 C ATOM 1126 O VAL A 77 -3.019 -11.994 0.081 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.362 -14.777 -0.129 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.590 -14.710 -1.438 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.703 -13.909 0.933 1.00 0.00 C ATOM 0 H VAL A 77 -2.866 -15.844 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.372 -14.472 0.593 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.350 -15.810 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.442 -15.016 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.051 -15.377 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.608 -13.689 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.331 -14.225 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.725 -12.866 0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.243 -14.013 1.874 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.710 -12.636 -2.053 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.724 -11.275 -2.579 1.00 0.00 C ATOM 1141 C TRP A 78 -4.144 -10.722 -2.619 1.00 0.00 C ATOM 1142 O TRP A 78 -4.383 -9.574 -2.248 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.111 -11.243 -3.980 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.621 -11.077 -3.972 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.307 -11.994 -4.374 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.111 -9.924 -3.540 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.573 -11.482 -4.218 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.479 -10.214 -3.709 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.256 -8.677 -3.030 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.478 -9.299 -3.384 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.736 -7.771 -2.707 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.090 -8.085 -2.886 1.00 0.00 C ATOM 0 H TRP A 78 -2.577 -13.360 -2.759 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.129 -10.648 -1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.364 -12.167 -4.501 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.558 -10.425 -4.546 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.080 -12.977 -4.758 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.441 -11.967 -4.444 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.297 -8.425 -2.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.522 -9.539 -3.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.463 -6.804 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.842 -7.355 -2.626 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.083 -11.547 -3.071 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.481 -11.138 -3.159 1.00 0.00 C ATOM 1165 C ASN A 79 -7.060 -10.876 -1.772 1.00 0.00 C ATOM 1166 O ASN A 79 -7.703 -9.853 -1.541 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.304 -12.213 -3.873 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.895 -12.386 -5.322 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.363 -11.664 -6.202 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.016 -13.349 -5.577 1.00 0.00 N ATOM 0 H ASN A 79 -4.902 -12.502 -3.382 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.528 -10.213 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.189 -13.162 -3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.361 -11.949 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.703 -13.514 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.654 -13.924 -4.816 1.00 0.00 H new ATOM 1177 N MET A 80 -6.825 -11.806 -0.852 1.00 0.00 N ATOM 1178 CA MET A 80 -7.321 -11.674 0.512 1.00 0.00 C ATOM 1179 C MET A 80 -6.655 -10.501 1.222 1.00 0.00 C ATOM 1180 O MET A 80 -7.299 -9.773 1.976 1.00 0.00 O ATOM 1181 CB MET A 80 -7.073 -12.966 1.294 1.00 0.00 C ATOM 1182 CG MET A 80 -7.845 -14.160 0.756 1.00 0.00 C ATOM 1183 SD MET A 80 -9.515 -14.269 1.429 1.00 0.00 S ATOM 1184 CE MET A 80 -9.624 -16.021 1.780 1.00 0.00 C ATOM 0 H MET A 80 -6.294 -12.659 -1.027 1.00 0.00 H new ATOM 0 HA MET A 80 -8.394 -11.485 0.465 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.007 -13.194 1.274 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.346 -12.808 2.337 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.899 -14.093 -0.331 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.302 -15.075 0.992 1.00 0.00 H new ATOM 0 HE1 MET A 80 -10.603 -16.247 2.203 1.00 0.00 H new ATOM 0 HE2 MET A 80 -9.488 -16.586 0.858 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.848 -16.298 2.493 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.361 -10.323 0.976 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.609 -9.236 1.590 1.00 0.00 C ATOM 1196 C ALA A 81 -5.201 -7.881 1.221 1.00 0.00 C ATOM 1197 O ALA A 81 -5.350 -7.005 2.072 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.146 -9.306 1.175 1.00 0.00 C ATOM 0 H ALA A 81 -4.812 -10.918 0.356 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.674 -9.348 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.596 -8.488 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.722 -10.258 1.496 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.071 -9.222 0.091 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.535 -7.714 -0.055 1.00 0.00 N ATOM 1205 CA PHE A 82 -6.109 -6.464 -0.539 1.00 0.00 C ATOM 1206 C PHE A 82 -7.404 -6.140 0.201 1.00 0.00 C ATOM 1207 O PHE A 82 -7.633 -4.997 0.602 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.376 -6.549 -2.042 1.00 0.00 C ATOM 1209 CG PHE A 82 -7.150 -5.379 -2.580 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.721 -4.082 -2.350 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -8.308 -5.577 -3.317 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.432 -3.004 -2.843 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -9.021 -4.503 -3.814 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.583 -3.215 -3.575 1.00 0.00 C ATOM 0 H PHE A 82 -5.418 -8.429 -0.773 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.392 -5.666 -0.349 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.424 -6.618 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.925 -7.466 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.820 -3.911 -1.779 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.656 -6.582 -3.505 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -7.087 -1.998 -2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.920 -4.670 -4.389 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.140 -2.374 -3.960 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.248 -7.150 0.378 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.519 -6.973 1.069 1.00 0.00 C ATOM 1226 C ASP A 83 -9.302 -6.397 2.466 1.00 0.00 C ATOM 1227 O ASP A 83 -10.060 -5.538 2.919 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.263 -8.307 1.164 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.762 -8.125 1.290 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.252 -7.014 0.998 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.446 -9.095 1.679 1.00 0.00 O ATOM 0 H ASP A 83 -8.075 -8.101 0.052 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.122 -6.270 0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.046 -8.905 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.894 -8.865 2.024 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.266 -6.877 3.144 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.951 -6.411 4.490 1.00 0.00 C ATOM 1238 C PHE A 84 -7.318 -5.023 4.451 1.00 0.00 C ATOM 1239 O PHE A 84 -7.655 -4.154 5.255 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.008 -7.395 5.185 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.591 -6.956 6.560 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -7.378 -7.250 7.662 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -5.413 -6.252 6.750 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -6.998 -6.848 8.929 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -5.028 -5.848 8.014 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.822 -6.145 9.105 1.00 0.00 C ATOM 0 H PHE A 84 -7.630 -7.588 2.784 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.882 -6.350 5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.497 -8.367 5.255 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.118 -7.530 4.570 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.298 -7.799 7.530 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.789 -6.016 5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.620 -7.083 9.780 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.107 -5.300 8.149 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.524 -5.828 10.093 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.399 -4.825 3.511 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.720 -3.543 3.368 1.00 0.00 C ATOM 1258 C ILE A 85 -6.711 -2.428 3.051 1.00 0.00 C ATOM 1259 O ILE A 85 -6.793 -1.433 3.773 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.650 -3.595 2.260 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.598 -4.655 2.586 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -4.001 -2.230 2.088 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -3.022 -5.331 1.363 1.00 0.00 C ATOM 0 H ILE A 85 -6.108 -5.535 2.839 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.235 -3.334 4.322 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.132 -3.867 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.789 -4.191 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.044 -5.411 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.247 -2.282 1.302 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.761 -1.498 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.529 -1.931 3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.283 -6.071 1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.821 -5.825 0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.546 -4.586 0.725 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.462 -2.601 1.970 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.450 -1.610 1.557 1.00 0.00 C ATOM 1277 C LEU A 86 -9.482 -1.381 2.657 1.00 0.00 C ATOM 1278 O LEU A 86 -9.939 -0.257 2.868 1.00 0.00 O ATOM 1279 CB LEU A 86 -9.149 -2.061 0.273 1.00 0.00 C ATOM 1280 CG LEU A 86 -10.131 -3.223 0.416 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.524 -2.708 0.744 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -10.155 -4.061 -0.855 1.00 0.00 C ATOM 0 H LEU A 86 -7.406 -3.419 1.363 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.930 -0.671 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.685 -1.208 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.386 -2.344 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.798 -3.856 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.209 -3.550 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.495 -2.152 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.867 -2.052 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.860 -4.884 -0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.463 -3.439 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -9.159 -4.461 -1.046 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.842 -2.451 3.357 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.817 -2.365 4.437 1.00 0.00 C ATOM 1296 C ASP A 87 -10.273 -1.537 5.596 1.00 0.00 C ATOM 1297 O ASP A 87 -11.028 -0.873 6.306 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.193 -3.766 4.926 1.00 0.00 C ATOM 1299 CG ASP A 87 -11.878 -3.742 6.278 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -12.894 -3.030 6.416 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -11.398 -4.437 7.198 1.00 0.00 O ATOM 0 H ASP A 87 -9.473 -3.388 3.196 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.709 -1.872 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.851 -4.238 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.294 -4.380 4.988 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.958 -1.583 5.783 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.312 -0.836 6.857 1.00 0.00 C ATOM 1308 C ASN A 88 -8.312 0.660 6.557 1.00 0.00 C ATOM 1309 O ASN A 88 -8.635 1.477 7.420 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.878 -1.329 7.057 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.774 -2.385 8.140 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -6.065 -2.207 9.131 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.482 -3.493 7.954 1.00 0.00 N ATOM 0 H ASN A 88 -8.319 -2.129 5.205 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.878 -1.003 7.774 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.503 -1.737 6.118 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.239 -0.484 7.315 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.452 -4.240 8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.056 -3.597 7.117 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.947 1.012 5.328 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.907 2.408 4.913 1.00 0.00 C ATOM 1322 C VAL A 89 -9.312 2.974 4.747 1.00 0.00 C ATOM 1323 O VAL A 89 -9.539 4.167 4.946 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.136 2.578 3.590 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.727 2.023 3.717 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.883 1.904 2.450 1.00 0.00 C ATOM 0 H VAL A 89 -7.675 0.349 4.603 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.390 2.957 5.700 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.061 3.642 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.199 2.152 2.772 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.196 2.556 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.775 0.962 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.325 2.033 1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.990 0.841 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.870 2.354 2.345 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.253 2.109 4.381 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.638 2.522 4.187 1.00 0.00 C ATOM 1338 C GLN A 90 -12.335 2.730 5.527 1.00 0.00 C ATOM 1339 O GLN A 90 -13.209 3.588 5.657 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.393 1.480 3.361 1.00 0.00 C ATOM 1341 CG GLN A 90 -12.020 1.486 1.888 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.705 2.598 1.117 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.761 2.393 0.516 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.108 3.783 1.132 1.00 0.00 N ATOM 0 H GLN A 90 -10.081 1.118 4.213 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.637 3.469 3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.197 0.490 3.773 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.464 1.659 3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.940 1.594 1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.285 0.526 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.234 3.907 1.643 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.523 4.570 0.632 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.945 1.939 6.521 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.532 2.036 7.852 1.00 0.00 C ATOM 1355 C VAL A 91 -12.005 3.257 8.598 1.00 0.00 C ATOM 1356 O VAL A 91 -12.775 4.035 9.161 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.244 0.774 8.687 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.474 1.047 10.165 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.104 -0.386 8.211 1.00 0.00 C ATOM 0 H VAL A 91 -11.224 1.223 6.430 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.609 2.134 7.716 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.197 0.501 8.552 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.265 0.144 10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.811 1.847 10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.510 1.346 10.323 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.888 -1.270 8.812 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.157 -0.125 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.884 -0.596 7.164 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.686 3.419 8.598 1.00 0.00 N ATOM 1370 CA VAL A 92 -10.055 4.546 9.273 1.00 0.00 C ATOM 1371 C VAL A 92 -10.657 5.870 8.813 1.00 0.00 C ATOM 1372 O VAL A 92 -10.941 6.751 9.626 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.534 4.572 9.022 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.239 4.531 7.531 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -7.910 5.800 9.664 1.00 0.00 C ATOM 0 H VAL A 92 -10.034 2.784 8.138 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.238 4.418 10.340 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.092 3.687 9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.161 4.550 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.652 3.618 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.692 5.396 7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.836 5.802 9.477 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.355 6.699 9.237 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.091 5.780 10.739 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.848 6.003 7.506 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.417 7.220 6.936 1.00 0.00 C ATOM 1387 C LEU A 93 -12.917 7.298 7.206 1.00 0.00 C ATOM 1388 O LEU A 93 -13.490 8.384 7.267 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.155 7.274 5.430 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.246 6.681 4.537 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.282 7.739 4.188 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.639 6.090 3.274 1.00 0.00 C ATOM 0 H LEU A 93 -10.618 5.284 6.820 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.935 8.074 7.412 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.006 8.315 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.221 6.750 5.225 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.743 5.881 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.051 7.300 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.739 8.116 5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.799 8.560 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.430 5.673 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.116 6.871 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.935 5.302 3.543 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.545 6.138 7.368 1.00 0.00 N ATOM 1405 CA GLN A 94 -14.976 6.074 7.633 1.00 0.00 C ATOM 1406 C GLN A 94 -15.301 6.635 9.014 1.00 0.00 C ATOM 1407 O GLN A 94 -16.419 7.082 9.266 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.474 4.632 7.526 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.873 4.428 8.085 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.393 3.022 7.855 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.523 2.832 7.408 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.568 2.028 8.163 1.00 0.00 N ATOM 0 H GLN A 94 -13.084 5.229 7.320 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.484 6.682 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.462 4.329 6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.781 3.977 8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.867 4.639 9.154 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.553 5.143 7.622 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.639 2.232 8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.863 1.061 8.031 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.313 6.606 9.905 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.495 7.110 11.261 1.00 0.00 C ATOM 1423 C GLN A 95 -14.389 8.631 11.294 1.00 0.00 C ATOM 1424 O GLN A 95 -15.076 9.295 12.072 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.457 6.494 12.200 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.402 4.976 12.133 1.00 0.00 C ATOM 1427 CD GLN A 95 -13.011 4.348 13.457 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.862 4.077 14.304 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.717 4.111 13.641 1.00 0.00 N ATOM 0 H GLN A 95 -13.381 6.240 9.712 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.492 6.826 11.597 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.474 6.896 11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.680 6.797 13.223 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.376 4.594 11.827 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.687 4.675 11.367 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.046 4.352 12.912 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.395 3.688 14.512 1.00 0.00 H new ATOM 1438 N THR A 96 -13.523 9.178 10.447 1.00 0.00 N ATOM 1439 CA THR A 96 -13.326 10.621 10.381 1.00 0.00 C ATOM 1440 C THR A 96 -14.328 11.270 9.433 1.00 0.00 C ATOM 1441 O THR A 96 -14.748 12.408 9.643 1.00 0.00 O ATOM 1442 CB THR A 96 -11.898 10.972 9.920 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.639 12.362 10.145 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.711 10.647 8.446 1.00 0.00 C ATOM 0 H THR A 96 -12.947 8.644 9.797 1.00 0.00 H new ATOM 0 HA THR A 96 -13.480 11.008 11.388 1.00 0.00 H new ATOM 0 HB THR A 96 -11.195 10.374 10.499 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.729 12.577 9.851 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.696 10.903 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.881 9.583 8.284 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.422 11.222 7.853 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.708 10.539 8.391 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.660 11.045 7.409 1.00 0.00 C ATOM 1454 C TYR A 97 -17.072 10.561 7.721 1.00 0.00 C ATOM 1455 O TYR A 97 -18.004 11.357 7.831 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.257 10.604 6.001 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.111 11.403 5.422 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.316 12.682 4.918 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.825 10.880 5.377 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.273 13.416 4.386 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.775 11.607 4.850 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.005 12.875 4.355 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.963 13.601 3.826 1.00 0.00 O ATOM 0 H TYR A 97 -14.372 9.594 8.204 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.649 12.134 7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -14.979 9.550 6.025 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.120 10.691 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.307 13.110 4.943 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.643 9.887 5.761 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.450 14.408 3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.781 11.186 4.825 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.277 13.736 4.512 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.223 9.247 7.862 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.524 8.677 8.160 1.00 0.00 C ATOM 1475 C GLY A 98 -18.958 7.653 7.130 1.00 0.00 C ATOM 1476 O GLY A 98 -19.851 6.845 7.385 1.00 0.00 O ATOM 0 H GLY A 98 -16.467 8.567 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.495 8.209 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.265 9.475 8.209 1.00 0.00 H new ATOM 1480 N SER A 99 -18.326 7.687 5.961 1.00 0.00 N ATOM 1481 CA SER A 99 -18.656 6.758 4.887 1.00 0.00 C ATOM 1482 C SER A 99 -17.390 6.170 4.270 1.00 0.00 C ATOM 1483 O SER A 99 -16.281 6.405 4.753 1.00 0.00 O ATOM 1484 CB SER A 99 -19.481 7.464 3.809 1.00 0.00 C ATOM 1485 OG SER A 99 -20.680 7.992 4.351 1.00 0.00 O ATOM 0 H SER A 99 -17.583 8.348 5.734 1.00 0.00 H new ATOM 0 HA SER A 99 -19.245 5.945 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.894 8.268 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.717 6.762 3.009 1.00 0.00 H new ATOM 0 HG SER A 99 -21.189 8.440 3.644 1.00 0.00 H new ATOM 1491 N THR A 100 -17.564 5.403 3.198 1.00 0.00 N ATOM 1492 CA THR A 100 -16.437 4.779 2.514 1.00 0.00 C ATOM 1493 C THR A 100 -16.556 4.937 1.002 1.00 0.00 C ATOM 1494 O THR A 100 -17.554 5.455 0.499 1.00 0.00 O ATOM 1495 CB THR A 100 -16.332 3.281 2.855 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.453 2.575 2.311 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.278 3.072 4.362 1.00 0.00 C ATOM 0 H THR A 100 -18.474 5.199 2.785 1.00 0.00 H new ATOM 0 HA THR A 100 -15.537 5.287 2.860 1.00 0.00 H new ATOM 0 HB THR A 100 -15.412 2.895 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.378 1.623 2.531 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.204 2.006 4.579 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.408 3.587 4.770 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.183 3.473 4.818 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.534 4.488 0.283 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.523 4.578 -1.172 1.00 0.00 C ATOM 1507 C LEU A 101 -15.953 3.257 -1.803 1.00 0.00 C ATOM 1508 O LEU A 101 -15.849 2.198 -1.184 1.00 0.00 O ATOM 1509 CB LEU A 101 -14.130 4.965 -1.669 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.500 6.195 -1.015 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.992 6.190 -1.208 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -14.109 7.470 -1.579 1.00 0.00 C ATOM 0 H LEU A 101 -14.701 4.057 0.685 1.00 0.00 H new ATOM 0 HA LEU A 101 -16.234 5.349 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.463 4.116 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.185 5.138 -2.744 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.707 6.160 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.562 7.073 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.570 5.294 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.761 6.200 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.649 8.335 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.934 7.512 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.182 7.477 -1.386 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.433 3.326 -3.040 1.00 0.00 N ATOM 1525 CA LYS A 102 -16.875 2.137 -3.758 1.00 0.00 C ATOM 1526 C LYS A 102 -15.719 1.508 -4.531 1.00 0.00 C ATOM 1527 O LYS A 102 -14.916 2.208 -5.147 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.013 2.488 -4.718 1.00 0.00 C ATOM 1529 CG LYS A 102 -18.639 1.278 -5.389 1.00 0.00 C ATOM 1530 CD LYS A 102 -19.144 0.273 -4.367 1.00 0.00 C ATOM 1531 CE LYS A 102 -19.807 -0.918 -5.039 1.00 0.00 C ATOM 1532 NZ LYS A 102 -20.142 -1.991 -4.062 1.00 0.00 N ATOM 0 H LYS A 102 -16.526 4.195 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.236 1.415 -3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.785 3.029 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.634 3.163 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.465 1.599 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.905 0.801 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.313 -0.071 -3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.856 0.758 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.716 -0.590 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.143 -1.319 -5.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.592 -2.785 -4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -19.272 -2.322 -3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.796 -1.616 -3.345 1.00 0.00 H new