USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 670 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: B 393 GLN : amide:sc= 0.269 X(o=-1.5,f=-2) USER MOD Set 1.2: B 404 THR OG1 : rot -130:sc= -1.77 USER MOD Single : A 607 CYS SG : rot 180:sc= -0.659 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl 155:sc= -3.38 (180deg=-4.33!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -128:sc= 0.732 (180deg=-0.255) USER MOD Single : A 617 GLN : amide:sc=-0.00468 K(o=-0.0047,f=-0.88) USER MOD Single : A 619 SER OG : rot -48:sc= 0.961 USER MOD Single : A 623 ASN : amide:sc= -3.39! C(o=-3.4!,f=-1.6!) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 635 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 638 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.0053) USER MOD Single : A 639 SER OG : rot -75:sc= 1.15 USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 130:sc= 0 USER MOD Single : A 663 THR OG1 : rot 160:sc= -0.0835 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 88:sc= 1.14 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot -8:sc= 0.826 USER MOD Single : B 395 SER OG : rot 180:sc= 0 USER MOD Single : B 396 GLN : amide:sc= -0.0708 K(o=-0.071,f=-1.9!) USER MOD Single : B 397 ASN : amide:sc= -2.86 K(o=-2.9,f=-2.3) USER MOD Single : B 400 LYS NZ :NH3+ -133:sc= 0.106 (180deg=-0.841) USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -15.602 5.278 5.280 1.00 5.44 N ATOM 107 CA CYS A 607 -14.662 4.193 5.024 1.00 4.32 C ATOM 108 C CYS A 607 -15.329 3.071 4.235 1.00 10.32 C ATOM 109 O CYS A 607 -16.126 2.305 4.777 1.00 34.14 O ATOM 110 CB CYS A 607 -14.109 3.649 6.342 1.00 20.40 C ATOM 111 SG CYS A 607 -13.002 2.232 6.149 1.00 43.23 S ATOM 0 HA CYS A 607 -13.839 4.590 4.430 1.00 4.32 H new ATOM 0 HB2 CYS A 607 -13.574 4.447 6.856 1.00 20.40 H new ATOM 0 HB3 CYS A 607 -14.943 3.361 6.982 1.00 20.40 H new ATOM 0 HG CYS A 607 -12.585 1.845 7.318 1.00 43.23 H new ATOM 117 N LYS A 608 -14.998 2.979 2.952 1.00 13.42 N ATOM 118 CA LYS A 608 -15.565 1.952 2.087 1.00 4.31 C ATOM 119 C LYS A 608 -14.605 0.775 1.941 1.00 63.23 C ATOM 120 O LYS A 608 -13.388 0.915 2.065 1.00 55.30 O ATOM 121 CB LYS A 608 -15.885 2.536 0.710 1.00 54.24 C ATOM 122 CG LYS A 608 -16.866 3.694 0.754 1.00 53.50 C ATOM 123 CD LYS A 608 -18.205 3.271 1.333 1.00 0.24 C ATOM 124 CE LYS A 608 -19.362 3.964 0.630 1.00 21.22 C ATOM 125 NZ LYS A 608 -20.617 3.896 1.429 1.00 34.33 N ATOM 0 H LYS A 608 -14.339 3.604 2.488 1.00 13.42 H new ATOM 0 HA LYS A 608 -16.486 1.593 2.545 1.00 4.31 H new ATOM 0 HB2 LYS A 608 -14.959 2.873 0.243 1.00 54.24 H new ATOM 0 HB3 LYS A 608 -16.293 1.749 0.077 1.00 54.24 H new ATOM 0 HG2 LYS A 608 -16.449 4.503 1.354 1.00 53.50 H new ATOM 0 HG3 LYS A 608 -17.012 4.086 -0.252 1.00 53.50 H new ATOM 0 HD2 LYS A 608 -18.317 2.191 1.241 1.00 0.24 H new ATOM 0 HD3 LYS A 608 -18.232 3.505 2.397 1.00 0.24 H new ATOM 0 HE2 LYS A 608 -19.104 5.007 0.447 1.00 21.22 H new ATOM 0 HE3 LYS A 608 -19.525 3.501 -0.343 1.00 21.22 H new ATOM 0 HZ1 LYS A 608 -21.382 4.379 0.916 1.00 34.33 H new ATOM 0 HZ2 LYS A 608 -20.878 2.901 1.582 1.00 34.33 H new ATOM 0 HZ3 LYS A 608 -20.469 4.360 2.348 1.00 34.33 H new ATOM 139 N PRO A 609 -15.163 -0.414 1.669 1.00 52.12 N ATOM 140 CA PRO A 609 -14.375 -1.638 1.497 1.00 10.31 C ATOM 141 C PRO A 609 -13.550 -1.622 0.215 1.00 62.04 C ATOM 142 O PRO A 609 -13.834 -0.857 -0.707 1.00 24.02 O ATOM 143 CB PRO A 609 -15.437 -2.739 1.436 1.00 2.53 C ATOM 144 CG PRO A 609 -16.667 -2.051 0.952 1.00 71.50 C ATOM 145 CD PRO A 609 -16.607 -0.655 1.507 1.00 21.40 C ATOM 0 HA PRO A 609 -13.649 -1.771 2.300 1.00 10.31 H new ATOM 0 HB2 PRO A 609 -15.139 -3.540 0.759 1.00 2.53 H new ATOM 0 HB3 PRO A 609 -15.595 -3.191 2.415 1.00 2.53 H new ATOM 0 HG2 PRO A 609 -16.703 -2.037 -0.137 1.00 71.50 H new ATOM 0 HG3 PRO A 609 -17.563 -2.568 1.294 1.00 71.50 H new ATOM 0 HD2 PRO A 609 -17.061 0.067 0.828 1.00 21.40 H new ATOM 0 HD3 PRO A 609 -17.136 -0.577 2.457 1.00 21.40 H new ATOM 153 N MET A 610 -12.529 -2.471 0.162 1.00 4.34 N ATOM 154 CA MET A 610 -11.664 -2.554 -1.008 1.00 71.31 C ATOM 155 C MET A 610 -11.457 -4.006 -1.429 1.00 3.14 C ATOM 156 O MET A 610 -11.161 -4.866 -0.600 1.00 1.23 O ATOM 157 CB MET A 610 -10.313 -1.897 -0.719 1.00 51.23 C ATOM 158 CG MET A 610 -10.428 -0.464 -0.225 1.00 11.31 C ATOM 159 SD MET A 610 -10.047 0.747 -1.506 1.00 73.43 S ATOM 160 CE MET A 610 -8.334 0.351 -1.847 1.00 23.00 C ATOM 0 H MET A 610 -12.281 -3.111 0.916 1.00 4.34 H new ATOM 0 HA MET A 610 -12.150 -2.022 -1.826 1.00 71.31 H new ATOM 0 HB2 MET A 610 -9.783 -2.489 0.027 1.00 51.23 H new ATOM 0 HB3 MET A 610 -9.709 -1.913 -1.626 1.00 51.23 H new ATOM 0 HG2 MET A 610 -11.439 -0.291 0.143 1.00 11.31 H new ATOM 0 HG3 MET A 610 -9.753 -0.319 0.618 1.00 11.31 H new ATOM 0 HE1 MET A 610 -8.083 0.664 -2.860 1.00 23.00 H new ATOM 0 HE2 MET A 610 -7.692 0.872 -1.137 1.00 23.00 H new ATOM 0 HE3 MET A 610 -8.183 -0.724 -1.752 1.00 23.00 H new ATOM 170 N SER A 611 -11.614 -4.270 -2.722 1.00 23.44 N ATOM 171 CA SER A 611 -11.448 -5.620 -3.251 1.00 2.23 C ATOM 172 C SER A 611 -10.144 -5.739 -4.035 1.00 14.42 C ATOM 173 O SER A 611 -9.416 -4.760 -4.203 1.00 33.10 O ATOM 174 CB SER A 611 -12.631 -5.987 -4.148 1.00 74.52 C ATOM 175 OG SER A 611 -13.407 -7.022 -3.570 1.00 34.52 O ATOM 0 H SER A 611 -11.856 -3.569 -3.422 1.00 23.44 H new ATOM 0 HA SER A 611 -11.411 -6.312 -2.410 1.00 2.23 H new ATOM 0 HB2 SER A 611 -13.255 -5.108 -4.310 1.00 74.52 H new ATOM 0 HB3 SER A 611 -12.266 -6.304 -5.125 1.00 74.52 H new ATOM 0 HG SER A 611 -14.158 -7.237 -4.162 1.00 34.52 H new ATOM 181 N TYR A 612 -9.858 -6.944 -4.513 1.00 24.23 N ATOM 182 CA TYR A 612 -8.641 -7.193 -5.277 1.00 22.40 C ATOM 183 C TYR A 612 -8.633 -6.382 -6.569 1.00 74.45 C ATOM 184 O TYR A 612 -7.574 -6.065 -7.109 1.00 11.31 O ATOM 185 CB TYR A 612 -8.510 -8.684 -5.597 1.00 35.34 C ATOM 186 CG TYR A 612 -9.759 -9.284 -6.204 1.00 2.12 C ATOM 187 CD1 TYR A 612 -10.046 -9.124 -7.553 1.00 13.54 C ATOM 188 CD2 TYR A 612 -10.651 -10.014 -5.427 1.00 23.03 C ATOM 189 CE1 TYR A 612 -11.186 -9.669 -8.112 1.00 23.35 C ATOM 190 CE2 TYR A 612 -11.792 -10.565 -5.977 1.00 3.05 C ATOM 191 CZ TYR A 612 -12.056 -10.390 -7.319 1.00 44.21 C ATOM 192 OH TYR A 612 -13.191 -10.936 -7.871 1.00 61.35 O ATOM 0 H TYR A 612 -10.451 -7.764 -4.385 1.00 24.23 H new ATOM 0 HA TYR A 612 -7.791 -6.882 -4.669 1.00 22.40 H new ATOM 0 HB2 TYR A 612 -7.677 -8.828 -6.285 1.00 35.34 H new ATOM 0 HB3 TYR A 612 -8.265 -9.224 -4.682 1.00 35.34 H new ATOM 0 HD1 TYR A 612 -9.366 -8.563 -8.177 1.00 13.54 H new ATOM 0 HD2 TYR A 612 -10.448 -10.153 -4.375 1.00 23.03 H new ATOM 0 HE1 TYR A 612 -11.395 -9.532 -9.163 1.00 23.35 H new ATOM 0 HE2 TYR A 612 -12.474 -11.130 -5.359 1.00 3.05 H new ATOM 0 HH TYR A 612 -13.695 -11.413 -7.179 1.00 61.35 H new ATOM 202 N GLU A 613 -9.824 -6.051 -7.059 1.00 0.33 N ATOM 203 CA GLU A 613 -9.956 -5.276 -8.288 1.00 23.24 C ATOM 204 C GLU A 613 -9.269 -3.920 -8.152 1.00 1.12 C ATOM 205 O GLU A 613 -8.340 -3.607 -8.895 1.00 54.54 O ATOM 206 CB GLU A 613 -11.432 -5.080 -8.638 1.00 51.11 C ATOM 207 CG GLU A 613 -11.801 -5.583 -10.023 1.00 31.01 C ATOM 208 CD GLU A 613 -12.631 -4.583 -10.805 1.00 62.43 C ATOM 209 OE1 GLU A 613 -13.866 -4.566 -10.624 1.00 33.34 O ATOM 210 OE2 GLU A 613 -12.044 -3.818 -11.598 1.00 1.24 O ATOM 0 H GLU A 613 -10.710 -6.307 -6.624 1.00 0.33 H new ATOM 0 HA GLU A 613 -9.471 -5.831 -9.091 1.00 23.24 H new ATOM 0 HB2 GLU A 613 -12.044 -5.596 -7.898 1.00 51.11 H new ATOM 0 HB3 GLU A 613 -11.675 -4.020 -8.569 1.00 51.11 H new ATOM 0 HG2 GLU A 613 -10.890 -5.807 -10.579 1.00 31.01 H new ATOM 0 HG3 GLU A 613 -12.356 -6.517 -9.931 1.00 31.01 H new ATOM 217 N GLU A 614 -9.736 -3.120 -7.197 1.00 64.23 N ATOM 218 CA GLU A 614 -9.167 -1.797 -6.966 1.00 71.03 C ATOM 219 C GLU A 614 -7.753 -1.904 -6.403 1.00 52.42 C ATOM 220 O GLU A 614 -6.938 -0.995 -6.566 1.00 41.11 O ATOM 221 CB GLU A 614 -10.052 -0.999 -6.006 1.00 23.34 C ATOM 222 CG GLU A 614 -11.241 -0.339 -6.680 1.00 50.31 C ATOM 223 CD GLU A 614 -12.553 -1.025 -6.354 1.00 61.30 C ATOM 224 OE1 GLU A 614 -12.853 -1.193 -5.154 1.00 32.13 O ATOM 225 OE2 GLU A 614 -13.280 -1.395 -7.300 1.00 65.55 O ATOM 0 H GLU A 614 -10.505 -3.365 -6.573 1.00 64.23 H new ATOM 0 HA GLU A 614 -9.119 -1.277 -7.923 1.00 71.03 H new ATOM 0 HB2 GLU A 614 -10.413 -1.664 -5.221 1.00 23.34 H new ATOM 0 HB3 GLU A 614 -9.448 -0.232 -5.521 1.00 23.34 H new ATOM 0 HG2 GLU A 614 -11.295 0.705 -6.371 1.00 50.31 H new ATOM 0 HG3 GLU A 614 -11.091 -0.345 -7.760 1.00 50.31 H new ATOM 232 N LYS A 615 -7.469 -3.020 -5.740 1.00 4.54 N ATOM 233 CA LYS A 615 -6.154 -3.246 -5.152 1.00 61.33 C ATOM 234 C LYS A 615 -5.108 -3.487 -6.237 1.00 32.35 C ATOM 235 O LYS A 615 -4.116 -2.765 -6.326 1.00 25.02 O ATOM 236 CB LYS A 615 -6.199 -4.442 -4.197 1.00 50.25 C ATOM 237 CG LYS A 615 -6.918 -4.151 -2.892 1.00 71.15 C ATOM 238 CD LYS A 615 -7.361 -5.431 -2.202 1.00 52.14 C ATOM 239 CE LYS A 615 -8.214 -5.137 -0.977 1.00 61.15 C ATOM 240 NZ LYS A 615 -8.817 -6.376 -0.413 1.00 11.41 N ATOM 0 H LYS A 615 -8.132 -3.782 -5.596 1.00 4.54 H new ATOM 0 HA LYS A 615 -5.874 -2.353 -4.593 1.00 61.33 H new ATOM 0 HB2 LYS A 615 -6.692 -5.276 -4.696 1.00 50.25 H new ATOM 0 HB3 LYS A 615 -5.180 -4.760 -3.978 1.00 50.25 H new ATOM 0 HG2 LYS A 615 -6.259 -3.589 -2.230 1.00 71.15 H new ATOM 0 HG3 LYS A 615 -7.787 -3.522 -3.086 1.00 71.15 H new ATOM 0 HD2 LYS A 615 -7.927 -6.046 -2.902 1.00 52.14 H new ATOM 0 HD3 LYS A 615 -6.485 -6.008 -1.907 1.00 52.14 H new ATOM 0 HE2 LYS A 615 -7.603 -4.651 -0.216 1.00 61.15 H new ATOM 0 HE3 LYS A 615 -9.005 -4.437 -1.245 1.00 61.15 H new ATOM 0 HZ1 LYS A 615 -9.843 -6.244 -0.303 1.00 11.41 H new ATOM 0 HZ2 LYS A 615 -8.638 -7.173 -1.056 1.00 11.41 H new ATOM 0 HZ3 LYS A 615 -8.392 -6.578 0.515 1.00 11.41 H new ATOM 254 N ARG A 616 -5.338 -4.506 -7.059 1.00 31.25 N ATOM 255 CA ARG A 616 -4.416 -4.840 -8.137 1.00 23.53 C ATOM 256 C ARG A 616 -4.043 -3.598 -8.939 1.00 20.21 C ATOM 257 O ARG A 616 -2.924 -3.483 -9.438 1.00 53.24 O ATOM 258 CB ARG A 616 -5.038 -5.890 -9.061 1.00 63.22 C ATOM 259 CG ARG A 616 -5.985 -5.305 -10.095 1.00 63.42 C ATOM 260 CD ARG A 616 -5.259 -4.969 -11.389 1.00 31.22 C ATOM 261 NE ARG A 616 -5.821 -5.682 -12.533 1.00 13.12 N ATOM 262 CZ ARG A 616 -5.229 -5.749 -13.720 1.00 61.44 C ATOM 263 NH1 ARG A 616 -4.062 -5.151 -13.917 1.00 71.14 N ATOM 264 NH2 ARG A 616 -5.804 -6.417 -14.712 1.00 43.31 N ATOM 0 H ARG A 616 -6.155 -5.114 -6.999 1.00 31.25 H new ATOM 0 HA ARG A 616 -3.509 -5.249 -7.692 1.00 23.53 H new ATOM 0 HB2 ARG A 616 -4.241 -6.428 -9.574 1.00 63.22 H new ATOM 0 HB3 ARG A 616 -5.578 -6.619 -8.457 1.00 63.22 H new ATOM 0 HG2 ARG A 616 -6.786 -6.016 -10.300 1.00 63.42 H new ATOM 0 HG3 ARG A 616 -6.452 -4.405 -9.694 1.00 63.42 H new ATOM 0 HD2 ARG A 616 -5.315 -3.895 -11.568 1.00 31.22 H new ATOM 0 HD3 ARG A 616 -4.203 -5.221 -11.288 1.00 31.22 H new ATOM 0 HE ARG A 616 -6.717 -6.154 -12.414 1.00 13.12 H new ATOM 0 HH11 ARG A 616 -3.617 -4.638 -13.156 1.00 71.14 H new ATOM 0 HH12 ARG A 616 -3.609 -5.204 -14.830 1.00 71.14 H new ATOM 0 HH21 ARG A 616 -6.701 -6.879 -14.563 1.00 43.31 H new ATOM 0 HH22 ARG A 616 -5.349 -6.468 -15.623 1.00 43.31 H new ATOM 278 N GLN A 617 -4.987 -2.671 -9.058 1.00 35.00 N ATOM 279 CA GLN A 617 -4.758 -1.437 -9.800 1.00 44.32 C ATOM 280 C GLN A 617 -3.804 -0.517 -9.045 1.00 53.53 C ATOM 281 O GLN A 617 -2.810 -0.046 -9.600 1.00 0.13 O ATOM 282 CB GLN A 617 -6.083 -0.718 -10.058 1.00 45.01 C ATOM 283 CG GLN A 617 -5.923 0.764 -10.357 1.00 44.34 C ATOM 284 CD GLN A 617 -5.023 1.025 -11.550 1.00 13.33 C ATOM 285 OE1 GLN A 617 -4.889 0.182 -12.437 1.00 23.14 O ATOM 286 NE2 GLN A 617 -4.401 2.198 -11.576 1.00 61.34 N ATOM 0 H GLN A 617 -5.918 -2.751 -8.650 1.00 35.00 H new ATOM 0 HA GLN A 617 -4.303 -1.697 -10.756 1.00 44.32 H new ATOM 0 HB2 GLN A 617 -6.589 -1.197 -10.896 1.00 45.01 H new ATOM 0 HB3 GLN A 617 -6.727 -0.837 -9.187 1.00 45.01 H new ATOM 0 HG2 GLN A 617 -6.904 1.201 -10.544 1.00 44.34 H new ATOM 0 HG3 GLN A 617 -5.513 1.265 -9.480 1.00 44.34 H new ATOM 0 HE21 GLN A 617 -4.542 2.867 -10.819 1.00 61.34 H new ATOM 0 HE22 GLN A 617 -3.783 2.430 -12.353 1.00 61.34 H new ATOM 295 N LEU A 618 -4.114 -0.264 -7.779 1.00 24.02 N ATOM 296 CA LEU A 618 -3.284 0.600 -6.947 1.00 0.44 C ATOM 297 C LEU A 618 -1.872 0.038 -6.814 1.00 20.12 C ATOM 298 O LEU A 618 -0.891 0.780 -6.856 1.00 33.54 O ATOM 299 CB LEU A 618 -3.912 0.764 -5.561 1.00 53.22 C ATOM 300 CG LEU A 618 -2.939 1.009 -4.407 1.00 53.41 C ATOM 301 CD1 LEU A 618 -3.562 1.930 -3.370 1.00 45.15 C ATOM 302 CD2 LEU A 618 -2.524 -0.310 -3.771 1.00 54.45 C ATOM 0 H LEU A 618 -4.934 -0.644 -7.306 1.00 24.02 H new ATOM 0 HA LEU A 618 -3.223 1.575 -7.430 1.00 0.44 H new ATOM 0 HB2 LEU A 618 -4.616 1.596 -5.599 1.00 53.22 H new ATOM 0 HB3 LEU A 618 -4.490 -0.133 -5.338 1.00 53.22 H new ATOM 0 HG LEU A 618 -2.048 1.494 -4.805 1.00 53.41 H new ATOM 0 HD11 LEU A 618 -2.855 2.093 -2.556 1.00 45.15 H new ATOM 0 HD12 LEU A 618 -3.809 2.885 -3.833 1.00 45.15 H new ATOM 0 HD13 LEU A 618 -4.470 1.473 -2.976 1.00 45.15 H new ATOM 0 HD21 LEU A 618 -1.832 -0.117 -2.952 1.00 54.45 H new ATOM 0 HD22 LEU A 618 -3.406 -0.822 -3.387 1.00 54.45 H new ATOM 0 HD23 LEU A 618 -2.037 -0.937 -4.518 1.00 54.45 H new ATOM 314 N SER A 619 -1.778 -1.279 -6.656 1.00 12.42 N ATOM 315 CA SER A 619 -0.487 -1.941 -6.516 1.00 10.33 C ATOM 316 C SER A 619 0.457 -1.535 -7.643 1.00 70.23 C ATOM 317 O SER A 619 1.619 -1.198 -7.405 1.00 73.24 O ATOM 318 CB SER A 619 -0.668 -3.460 -6.509 1.00 62.02 C ATOM 319 OG SER A 619 -0.956 -3.946 -7.808 1.00 70.02 O ATOM 0 H SER A 619 -2.580 -1.908 -6.622 1.00 12.42 H new ATOM 0 HA SER A 619 -0.048 -1.630 -5.568 1.00 10.33 H new ATOM 0 HB2 SER A 619 0.238 -3.935 -6.132 1.00 62.02 H new ATOM 0 HB3 SER A 619 -1.476 -3.730 -5.829 1.00 62.02 H new ATOM 0 HG SER A 619 -1.670 -3.407 -8.208 1.00 70.02 H new ATOM 325 N LEU A 620 -0.049 -1.570 -8.871 1.00 0.32 N ATOM 326 CA LEU A 620 0.748 -1.205 -10.038 1.00 23.22 C ATOM 327 C LEU A 620 0.885 0.310 -10.152 1.00 3.10 C ATOM 328 O LEU A 620 1.971 0.827 -10.414 1.00 31.21 O ATOM 329 CB LEU A 620 0.113 -1.769 -11.309 1.00 64.15 C ATOM 330 CG LEU A 620 0.676 -1.243 -12.631 1.00 13.10 C ATOM 331 CD1 LEU A 620 2.046 -1.844 -12.905 1.00 40.32 C ATOM 332 CD2 LEU A 620 -0.280 -1.544 -13.775 1.00 73.33 C ATOM 0 H LEU A 620 -1.007 -1.847 -9.085 1.00 0.32 H new ATOM 0 HA LEU A 620 1.743 -1.632 -9.916 1.00 23.22 H new ATOM 0 HB2 LEU A 620 0.223 -2.853 -11.296 1.00 64.15 H new ATOM 0 HB3 LEU A 620 -0.956 -1.557 -11.282 1.00 64.15 H new ATOM 0 HG LEU A 620 0.787 -0.161 -12.552 1.00 13.10 H new ATOM 0 HD11 LEU A 620 2.430 -1.458 -13.849 1.00 40.32 H new ATOM 0 HD12 LEU A 620 2.729 -1.576 -12.099 1.00 40.32 H new ATOM 0 HD13 LEU A 620 1.962 -2.929 -12.964 1.00 40.32 H new ATOM 0 HD21 LEU A 620 0.137 -1.163 -14.707 1.00 73.33 H new ATOM 0 HD22 LEU A 620 -0.423 -2.622 -13.855 1.00 73.33 H new ATOM 0 HD23 LEU A 620 -1.240 -1.064 -13.583 1.00 73.33 H new ATOM 344 N ASP A 621 -0.223 1.015 -9.952 1.00 3.22 N ATOM 345 CA ASP A 621 -0.226 2.471 -10.029 1.00 53.53 C ATOM 346 C ASP A 621 0.872 3.065 -9.151 1.00 50.44 C ATOM 347 O ASP A 621 1.766 3.756 -9.641 1.00 2.23 O ATOM 348 CB ASP A 621 -1.588 3.023 -9.606 1.00 51.22 C ATOM 349 CG ASP A 621 -2.040 4.181 -10.474 1.00 71.24 C ATOM 350 OD1 ASP A 621 -1.201 4.720 -11.228 1.00 34.23 O ATOM 351 OD2 ASP A 621 -3.232 4.546 -10.403 1.00 5.32 O ATOM 0 H ASP A 621 -1.130 0.602 -9.735 1.00 3.22 H new ATOM 0 HA ASP A 621 -0.033 2.755 -11.063 1.00 53.53 H new ATOM 0 HB2 ASP A 621 -2.330 2.226 -9.654 1.00 51.22 H new ATOM 0 HB3 ASP A 621 -1.537 3.350 -8.567 1.00 51.22 H new ATOM 356 N ILE A 622 0.796 2.792 -7.853 1.00 65.32 N ATOM 357 CA ILE A 622 1.783 3.299 -6.908 1.00 22.43 C ATOM 358 C ILE A 622 3.189 2.848 -7.286 1.00 51.23 C ATOM 359 O ILE A 622 4.157 3.588 -7.113 1.00 0.01 O ATOM 360 CB ILE A 622 1.477 2.834 -5.471 1.00 12.34 C ATOM 361 CG1 ILE A 622 0.168 3.456 -4.979 1.00 75.44 C ATOM 362 CG2 ILE A 622 2.624 3.199 -4.541 1.00 40.33 C ATOM 363 CD1 ILE A 622 -0.272 2.945 -3.625 1.00 0.31 C ATOM 0 H ILE A 622 0.062 2.223 -7.432 1.00 65.32 H new ATOM 0 HA ILE A 622 1.729 4.387 -6.950 1.00 22.43 H new ATOM 0 HB ILE A 622 1.366 1.750 -5.471 1.00 12.34 H new ATOM 0 HG12 ILE A 622 0.286 4.538 -4.929 1.00 75.44 H new ATOM 0 HG13 ILE A 622 -0.617 3.254 -5.707 1.00 75.44 H new ATOM 0 HG21 ILE A 622 2.393 2.864 -3.530 1.00 40.33 H new ATOM 0 HG22 ILE A 622 3.538 2.715 -4.884 1.00 40.33 H new ATOM 0 HG23 ILE A 622 2.763 4.280 -4.542 1.00 40.33 H new ATOM 0 HD11 ILE A 622 -1.206 3.429 -3.340 1.00 0.31 H new ATOM 0 HD12 ILE A 622 -0.422 1.867 -3.674 1.00 0.31 H new ATOM 0 HD13 ILE A 622 0.495 3.171 -2.884 1.00 0.31 H new ATOM 375 N ASN A 623 3.294 1.630 -7.807 1.00 21.31 N ATOM 376 CA ASN A 623 4.583 1.080 -8.212 1.00 63.20 C ATOM 377 C ASN A 623 5.199 1.909 -9.336 1.00 15.54 C ATOM 378 O ASN A 623 6.416 2.085 -9.397 1.00 62.41 O ATOM 379 CB ASN A 623 4.422 -0.372 -8.665 1.00 32.12 C ATOM 380 CG ASN A 623 5.586 -0.846 -9.513 1.00 35.10 C ATOM 381 OD1 ASN A 623 5.394 -1.418 -10.586 1.00 44.04 O ATOM 382 ND2 ASN A 623 6.802 -0.610 -9.034 1.00 60.12 N ATOM 0 H ASN A 623 2.502 1.005 -7.959 1.00 21.31 H new ATOM 0 HA ASN A 623 5.251 1.113 -7.351 1.00 63.20 H new ATOM 0 HB2 ASN A 623 4.329 -1.015 -7.789 1.00 32.12 H new ATOM 0 HB3 ASN A 623 3.497 -0.472 -9.234 1.00 32.12 H new ATOM 0 HD21 ASN A 623 7.624 -0.906 -9.560 1.00 60.12 H new ATOM 0 HD22 ASN A 623 6.914 -0.132 -8.140 1.00 60.12 H new ATOM 389 N LYS A 624 4.350 2.417 -10.222 1.00 61.33 N ATOM 390 CA LYS A 624 4.809 3.230 -11.343 1.00 74.10 C ATOM 391 C LYS A 624 5.340 4.575 -10.858 1.00 21.41 C ATOM 392 O LYS A 624 6.213 5.173 -11.489 1.00 24.51 O ATOM 393 CB LYS A 624 3.668 3.449 -12.340 1.00 21.33 C ATOM 394 CG LYS A 624 3.714 2.510 -13.532 1.00 65.52 C ATOM 395 CD LYS A 624 2.516 2.708 -14.445 1.00 33.41 C ATOM 396 CE LYS A 624 2.850 3.625 -15.612 1.00 35.40 C ATOM 397 NZ LYS A 624 1.831 3.536 -16.695 1.00 63.22 N ATOM 0 H LYS A 624 3.340 2.280 -10.186 1.00 61.33 H new ATOM 0 HA LYS A 624 5.620 2.697 -11.839 1.00 74.10 H new ATOM 0 HB2 LYS A 624 2.716 3.321 -11.824 1.00 21.33 H new ATOM 0 HB3 LYS A 624 3.701 4.478 -12.697 1.00 21.33 H new ATOM 0 HG2 LYS A 624 4.633 2.679 -14.094 1.00 65.52 H new ATOM 0 HG3 LYS A 624 3.739 1.478 -13.182 1.00 65.52 H new ATOM 0 HD2 LYS A 624 2.182 1.742 -14.824 1.00 33.41 H new ATOM 0 HD3 LYS A 624 1.688 3.130 -13.875 1.00 33.41 H new ATOM 0 HE2 LYS A 624 2.916 4.654 -15.258 1.00 35.40 H new ATOM 0 HE3 LYS A 624 3.829 3.362 -16.012 1.00 35.40 H new ATOM 0 HZ1 LYS A 624 2.094 4.175 -17.472 1.00 63.22 H new ATOM 0 HZ2 LYS A 624 1.786 2.559 -17.050 1.00 63.22 H new ATOM 0 HZ3 LYS A 624 0.901 3.811 -16.320 1.00 63.22 H new ATOM 411 N LEU A 625 4.809 5.045 -9.735 1.00 61.24 N ATOM 412 CA LEU A 625 5.231 6.320 -9.165 1.00 24.32 C ATOM 413 C LEU A 625 6.657 6.230 -8.627 1.00 53.23 C ATOM 414 O LEU A 625 7.187 5.147 -8.383 1.00 24.41 O ATOM 415 CB LEU A 625 4.278 6.741 -8.045 1.00 21.32 C ATOM 416 CG LEU A 625 3.081 7.594 -8.468 1.00 31.42 C ATOM 417 CD1 LEU A 625 2.404 6.993 -9.690 1.00 14.13 C ATOM 418 CD2 LEU A 625 2.091 7.730 -7.321 1.00 24.13 C ATOM 0 H LEU A 625 4.086 4.563 -9.201 1.00 61.24 H new ATOM 0 HA LEU A 625 5.206 7.070 -9.956 1.00 24.32 H new ATOM 0 HB2 LEU A 625 3.903 5.841 -7.557 1.00 21.32 H new ATOM 0 HB3 LEU A 625 4.848 7.295 -7.299 1.00 21.32 H new ATOM 0 HG LEU A 625 3.442 8.589 -8.730 1.00 31.42 H new ATOM 0 HD11 LEU A 625 1.555 7.613 -9.977 1.00 14.13 H new ATOM 0 HD12 LEU A 625 3.115 6.948 -10.515 1.00 14.13 H new ATOM 0 HD13 LEU A 625 2.056 5.987 -9.455 1.00 14.13 H new ATOM 0 HD21 LEU A 625 1.246 8.340 -7.640 1.00 24.13 H new ATOM 0 HD22 LEU A 625 1.735 6.742 -7.028 1.00 24.13 H new ATOM 0 HD23 LEU A 625 2.581 8.205 -6.472 1.00 24.13 H new ATOM 430 N PRO A 626 7.291 7.396 -8.437 1.00 42.03 N ATOM 431 CA PRO A 626 8.663 7.477 -7.925 1.00 21.10 C ATOM 432 C PRO A 626 8.757 7.074 -6.457 1.00 72.31 C ATOM 433 O PRO A 626 7.749 7.004 -5.756 1.00 11.51 O ATOM 434 CB PRO A 626 9.020 8.955 -8.097 1.00 63.44 C ATOM 435 CG PRO A 626 7.711 9.666 -8.077 1.00 61.11 C ATOM 436 CD PRO A 626 6.720 8.726 -8.707 1.00 53.11 C ATOM 0 HA PRO A 626 9.335 6.799 -8.451 1.00 21.10 H new ATOM 0 HB2 PRO A 626 9.671 9.301 -7.294 1.00 63.44 H new ATOM 0 HB3 PRO A 626 9.550 9.128 -9.034 1.00 63.44 H new ATOM 0 HG2 PRO A 626 7.418 9.916 -7.057 1.00 61.11 H new ATOM 0 HG3 PRO A 626 7.767 10.603 -8.631 1.00 61.11 H new ATOM 0 HD2 PRO A 626 5.728 8.834 -8.268 1.00 53.11 H new ATOM 0 HD3 PRO A 626 6.616 8.909 -9.777 1.00 53.11 H new ATOM 444 N GLY A 627 9.977 6.807 -5.999 1.00 15.54 N ATOM 445 CA GLY A 627 10.180 6.415 -4.616 1.00 31.12 C ATOM 446 C GLY A 627 9.521 7.369 -3.640 1.00 23.32 C ATOM 447 O GLY A 627 8.954 6.943 -2.634 1.00 4.31 O ATOM 0 H GLY A 627 10.827 6.855 -6.560 1.00 15.54 H new ATOM 0 HA2 GLY A 627 9.782 5.412 -4.464 1.00 31.12 H new ATOM 0 HA3 GLY A 627 11.249 6.368 -4.408 1.00 31.12 H new ATOM 451 N GLU A 628 9.597 8.662 -3.936 1.00 1.54 N ATOM 452 CA GLU A 628 9.005 9.679 -3.073 1.00 61.43 C ATOM 453 C GLU A 628 7.560 9.329 -2.733 1.00 34.01 C ATOM 454 O GLU A 628 7.110 9.528 -1.604 1.00 1.30 O ATOM 455 CB GLU A 628 9.064 11.050 -3.749 1.00 71.14 C ATOM 456 CG GLU A 628 8.466 12.168 -2.912 1.00 72.01 C ATOM 457 CD GLU A 628 8.713 13.540 -3.508 1.00 12.33 C ATOM 458 OE1 GLU A 628 9.437 13.624 -4.521 1.00 44.44 O ATOM 459 OE2 GLU A 628 8.182 14.529 -2.962 1.00 12.04 O ATOM 0 H GLU A 628 10.062 9.031 -4.766 1.00 1.54 H new ATOM 0 HA GLU A 628 9.580 9.713 -2.147 1.00 61.43 H new ATOM 0 HB2 GLU A 628 10.103 11.291 -3.972 1.00 71.14 H new ATOM 0 HB3 GLU A 628 8.537 10.999 -4.702 1.00 71.14 H new ATOM 0 HG2 GLU A 628 7.393 12.007 -2.812 1.00 72.01 H new ATOM 0 HG3 GLU A 628 8.889 12.131 -1.908 1.00 72.01 H new ATOM 466 N LYS A 629 6.837 8.806 -3.717 1.00 31.43 N ATOM 467 CA LYS A 629 5.442 8.426 -3.524 1.00 4.43 C ATOM 468 C LYS A 629 5.332 7.189 -2.638 1.00 44.32 C ATOM 469 O LYS A 629 4.399 7.062 -1.846 1.00 34.44 O ATOM 470 CB LYS A 629 4.773 8.161 -4.875 1.00 13.34 C ATOM 471 CG LYS A 629 4.720 9.381 -5.777 1.00 63.13 C ATOM 472 CD LYS A 629 4.051 10.557 -5.088 1.00 54.22 C ATOM 473 CE LYS A 629 2.624 10.225 -4.678 1.00 63.23 C ATOM 474 NZ LYS A 629 1.987 11.341 -3.927 1.00 41.33 N ATOM 0 H LYS A 629 7.194 8.635 -4.657 1.00 31.43 H new ATOM 0 HA LYS A 629 4.932 9.252 -3.028 1.00 4.43 H new ATOM 0 HB2 LYS A 629 5.312 7.364 -5.387 1.00 13.34 H new ATOM 0 HB3 LYS A 629 3.758 7.802 -4.704 1.00 13.34 H new ATOM 0 HG2 LYS A 629 5.731 9.659 -6.073 1.00 63.13 H new ATOM 0 HG3 LYS A 629 4.177 9.136 -6.690 1.00 63.13 H new ATOM 0 HD2 LYS A 629 4.627 10.840 -4.207 1.00 54.22 H new ATOM 0 HD3 LYS A 629 4.048 11.418 -5.757 1.00 54.22 H new ATOM 0 HE2 LYS A 629 2.034 10.002 -5.567 1.00 63.23 H new ATOM 0 HE3 LYS A 629 2.623 9.326 -4.062 1.00 63.23 H new ATOM 0 HZ1 LYS A 629 1.016 11.074 -3.666 1.00 41.33 H new ATOM 0 HZ2 LYS A 629 2.535 11.537 -3.065 1.00 41.33 H new ATOM 0 HZ3 LYS A 629 1.964 12.192 -4.524 1.00 41.33 H new ATOM 488 N LEU A 630 6.292 6.281 -2.778 1.00 54.11 N ATOM 489 CA LEU A 630 6.303 5.054 -1.989 1.00 40.11 C ATOM 490 C LEU A 630 6.462 5.363 -0.503 1.00 74.34 C ATOM 491 O LEU A 630 5.557 5.113 0.293 1.00 44.32 O ATOM 492 CB LEU A 630 7.435 4.136 -2.454 1.00 25.33 C ATOM 493 CG LEU A 630 7.048 2.685 -2.742 1.00 53.35 C ATOM 494 CD1 LEU A 630 7.311 2.343 -4.201 1.00 60.11 C ATOM 495 CD2 LEU A 630 7.806 1.738 -1.825 1.00 4.20 C ATOM 0 H LEU A 630 7.072 6.371 -3.429 1.00 54.11 H new ATOM 0 HA LEU A 630 5.349 4.548 -2.136 1.00 40.11 H new ATOM 0 HB2 LEU A 630 7.872 4.561 -3.358 1.00 25.33 H new ATOM 0 HB3 LEU A 630 8.214 4.139 -1.692 1.00 25.33 H new ATOM 0 HG LEU A 630 5.982 2.568 -2.549 1.00 53.35 H new ATOM 0 HD11 LEU A 630 7.030 1.307 -4.388 1.00 60.11 H new ATOM 0 HD12 LEU A 630 6.722 3.000 -4.841 1.00 60.11 H new ATOM 0 HD13 LEU A 630 8.370 2.477 -4.421 1.00 60.11 H new ATOM 0 HD21 LEU A 630 7.517 0.710 -2.045 1.00 4.20 H new ATOM 0 HD22 LEU A 630 8.878 1.856 -1.985 1.00 4.20 H new ATOM 0 HD23 LEU A 630 7.567 1.968 -0.787 1.00 4.20 H new ATOM 507 N GLY A 631 7.617 5.910 -0.138 1.00 43.00 N ATOM 508 CA GLY A 631 7.873 6.246 1.251 1.00 13.11 C ATOM 509 C GLY A 631 6.672 6.880 1.924 1.00 52.00 C ATOM 510 O GLY A 631 6.411 6.635 3.102 1.00 43.52 O ATOM 0 H GLY A 631 8.380 6.127 -0.779 1.00 43.00 H new ATOM 0 HA2 GLY A 631 8.156 5.344 1.794 1.00 13.11 H new ATOM 0 HA3 GLY A 631 8.720 6.930 1.306 1.00 13.11 H new ATOM 514 N ARG A 632 5.939 7.698 1.175 1.00 60.55 N ATOM 515 CA ARG A 632 4.761 8.371 1.708 1.00 52.21 C ATOM 516 C ARG A 632 3.610 7.386 1.895 1.00 3.12 C ATOM 517 O ARG A 632 2.993 7.331 2.959 1.00 11.12 O ATOM 518 CB ARG A 632 4.329 9.504 0.775 1.00 44.44 C ATOM 519 CG ARG A 632 5.029 10.824 1.055 1.00 62.41 C ATOM 520 CD ARG A 632 5.068 11.707 -0.181 1.00 50.45 C ATOM 521 NE ARG A 632 4.830 13.112 0.142 1.00 74.22 N ATOM 522 CZ ARG A 632 4.432 14.013 -0.749 1.00 40.50 C ATOM 523 NH1 ARG A 632 4.231 13.659 -2.011 1.00 54.10 N ATOM 524 NH2 ARG A 632 4.237 15.273 -0.379 1.00 35.42 N ATOM 0 H ARG A 632 6.140 7.910 0.198 1.00 60.55 H new ATOM 0 HA ARG A 632 5.021 8.789 2.681 1.00 52.21 H new ATOM 0 HB2 ARG A 632 4.526 9.209 -0.256 1.00 44.44 H new ATOM 0 HB3 ARG A 632 3.252 9.647 0.865 1.00 44.44 H new ATOM 0 HG2 ARG A 632 4.513 11.347 1.861 1.00 62.41 H new ATOM 0 HG3 ARG A 632 6.045 10.632 1.399 1.00 62.41 H new ATOM 0 HD2 ARG A 632 6.038 11.606 -0.668 1.00 50.45 H new ATOM 0 HD3 ARG A 632 4.317 11.367 -0.894 1.00 50.45 H new ATOM 0 HE ARG A 632 4.978 13.417 1.104 1.00 74.22 H new ATOM 0 HH11 ARG A 632 4.382 12.692 -2.300 1.00 54.10 H new ATOM 0 HH12 ARG A 632 3.925 14.353 -2.693 1.00 54.10 H new ATOM 0 HH21 ARG A 632 4.393 15.550 0.590 1.00 35.42 H new ATOM 0 HH22 ARG A 632 3.931 15.964 -1.064 1.00 35.42 H new ATOM 538 N VAL A 633 3.326 6.611 0.853 1.00 32.22 N ATOM 539 CA VAL A 633 2.250 5.628 0.903 1.00 1.34 C ATOM 540 C VAL A 633 2.592 4.486 1.853 1.00 25.12 C ATOM 541 O VAL A 633 1.869 4.226 2.816 1.00 42.35 O ATOM 542 CB VAL A 633 1.954 5.048 -0.493 1.00 3.41 C ATOM 543 CG1 VAL A 633 0.809 4.050 -0.426 1.00 24.13 C ATOM 544 CG2 VAL A 633 1.641 6.165 -1.477 1.00 51.44 C ATOM 0 H VAL A 633 3.826 6.645 -0.036 1.00 32.22 H new ATOM 0 HA VAL A 633 1.364 6.148 1.268 1.00 1.34 H new ATOM 0 HB VAL A 633 2.842 4.522 -0.844 1.00 3.41 H new ATOM 0 HG11 VAL A 633 0.615 3.651 -1.422 1.00 24.13 H new ATOM 0 HG12 VAL A 633 1.076 3.234 0.246 1.00 24.13 H new ATOM 0 HG13 VAL A 633 -0.086 4.548 -0.054 1.00 24.13 H new ATOM 0 HG21 VAL A 633 1.434 5.738 -2.458 1.00 51.44 H new ATOM 0 HG22 VAL A 633 0.769 6.720 -1.132 1.00 51.44 H new ATOM 0 HG23 VAL A 633 2.495 6.838 -1.547 1.00 51.44 H new ATOM 554 N VAL A 634 3.701 3.806 1.577 1.00 73.51 N ATOM 555 CA VAL A 634 4.141 2.691 2.408 1.00 54.01 C ATOM 556 C VAL A 634 4.076 3.050 3.887 1.00 14.14 C ATOM 557 O VAL A 634 3.838 2.190 4.737 1.00 40.22 O ATOM 558 CB VAL A 634 5.578 2.263 2.057 1.00 51.23 C ATOM 559 CG1 VAL A 634 5.712 2.016 0.562 1.00 74.21 C ATOM 560 CG2 VAL A 634 6.575 3.313 2.523 1.00 21.11 C ATOM 0 H VAL A 634 4.311 4.008 0.785 1.00 73.51 H new ATOM 0 HA VAL A 634 3.464 1.860 2.209 1.00 54.01 H new ATOM 0 HB VAL A 634 5.798 1.330 2.576 1.00 51.23 H new ATOM 0 HG11 VAL A 634 6.734 1.715 0.333 1.00 74.21 H new ATOM 0 HG12 VAL A 634 5.025 1.226 0.261 1.00 74.21 H new ATOM 0 HG13 VAL A 634 5.473 2.931 0.019 1.00 74.21 H new ATOM 0 HG21 VAL A 634 7.585 2.994 2.267 1.00 21.11 H new ATOM 0 HG22 VAL A 634 6.359 4.263 2.033 1.00 21.11 H new ATOM 0 HG23 VAL A 634 6.496 3.436 3.603 1.00 21.11 H new ATOM 570 N HIS A 635 4.288 4.327 4.191 1.00 24.22 N ATOM 571 CA HIS A 635 4.252 4.801 5.570 1.00 43.10 C ATOM 572 C HIS A 635 2.840 4.715 6.138 1.00 14.21 C ATOM 573 O HIS A 635 2.637 4.243 7.257 1.00 42.11 O ATOM 574 CB HIS A 635 4.760 6.241 5.649 1.00 2.51 C ATOM 575 CG HIS A 635 4.622 6.851 7.010 1.00 31.34 C ATOM 576 ND1 HIS A 635 3.922 8.017 7.245 1.00 63.42 N ATOM 577 CD2 HIS A 635 5.095 6.450 8.214 1.00 61.44 C ATOM 578 CE1 HIS A 635 3.974 8.306 8.533 1.00 45.44 C ATOM 579 NE2 HIS A 635 4.679 7.371 9.143 1.00 64.12 N ATOM 0 H HIS A 635 4.486 5.052 3.501 1.00 24.22 H new ATOM 0 HA HIS A 635 4.903 4.161 6.166 1.00 43.10 H new ATOM 0 HB2 HIS A 635 5.809 6.264 5.354 1.00 2.51 H new ATOM 0 HB3 HIS A 635 4.213 6.850 4.930 1.00 2.51 H new ATOM 0 HD2 HIS A 635 5.689 5.569 8.407 1.00 61.44 H new ATOM 0 HE1 HIS A 635 3.517 9.162 9.007 1.00 45.44 H new ATOM 0 HE2 HIS A 635 4.882 7.338 10.142 1.00 64.12 H new ATOM 587 N ILE A 636 1.865 5.177 5.360 1.00 22.30 N ATOM 588 CA ILE A 636 0.472 5.152 5.786 1.00 35.40 C ATOM 589 C ILE A 636 0.070 3.762 6.269 1.00 52.22 C ATOM 590 O ILE A 636 -0.571 3.617 7.311 1.00 3.11 O ATOM 591 CB ILE A 636 -0.473 5.580 4.648 1.00 43.22 C ATOM 592 CG1 ILE A 636 0.057 6.842 3.964 1.00 2.41 C ATOM 593 CG2 ILE A 636 -1.878 5.811 5.184 1.00 51.03 C ATOM 594 CD1 ILE A 636 -0.964 7.526 3.083 1.00 75.45 C ATOM 0 H ILE A 636 2.015 5.573 4.432 1.00 22.30 H new ATOM 0 HA ILE A 636 0.381 5.861 6.609 1.00 35.40 H new ATOM 0 HB ILE A 636 -0.515 4.779 3.910 1.00 43.22 H new ATOM 0 HG12 ILE A 636 0.395 7.544 4.726 1.00 2.41 H new ATOM 0 HG13 ILE A 636 0.927 6.581 3.362 1.00 2.41 H new ATOM 0 HG21 ILE A 636 -2.534 6.113 4.367 1.00 51.03 H new ATOM 0 HG22 ILE A 636 -2.254 4.890 5.629 1.00 51.03 H new ATOM 0 HG23 ILE A 636 -1.855 6.596 5.940 1.00 51.03 H new ATOM 0 HD11 ILE A 636 -0.519 8.412 2.631 1.00 75.45 H new ATOM 0 HD12 ILE A 636 -1.285 6.841 2.298 1.00 75.45 H new ATOM 0 HD13 ILE A 636 -1.825 7.819 3.684 1.00 75.45 H new ATOM 606 N ILE A 637 0.451 2.743 5.506 1.00 31.43 N ATOM 607 CA ILE A 637 0.132 1.365 5.858 1.00 51.31 C ATOM 608 C ILE A 637 0.649 1.019 7.251 1.00 52.43 C ATOM 609 O ILE A 637 -0.125 0.671 8.142 1.00 42.32 O ATOM 610 CB ILE A 637 0.726 0.372 4.841 1.00 43.33 C ATOM 611 CG1 ILE A 637 -0.082 0.393 3.542 1.00 15.21 C ATOM 612 CG2 ILE A 637 0.759 -1.031 5.428 1.00 65.24 C ATOM 613 CD1 ILE A 637 0.425 1.396 2.530 1.00 2.44 C ATOM 0 H ILE A 637 0.981 2.846 4.640 1.00 31.43 H new ATOM 0 HA ILE A 637 -0.955 1.280 5.845 1.00 51.31 H new ATOM 0 HB ILE A 637 1.749 0.675 4.615 1.00 43.33 H new ATOM 0 HG12 ILE A 637 -0.063 -0.602 3.096 1.00 15.21 H new ATOM 0 HG13 ILE A 637 -1.123 0.619 3.775 1.00 15.21 H new ATOM 0 HG21 ILE A 637 1.181 -1.721 4.698 1.00 65.24 H new ATOM 0 HG22 ILE A 637 1.374 -1.034 6.328 1.00 65.24 H new ATOM 0 HG23 ILE A 637 -0.254 -1.344 5.680 1.00 65.24 H new ATOM 0 HD11 ILE A 637 -0.196 1.355 1.635 1.00 2.44 H new ATOM 0 HD12 ILE A 637 0.380 2.398 2.957 1.00 2.44 H new ATOM 0 HD13 ILE A 637 1.456 1.159 2.268 1.00 2.44 H new ATOM 625 N GLN A 638 1.963 1.120 7.429 1.00 34.14 N ATOM 626 CA GLN A 638 2.583 0.819 8.714 1.00 1.23 C ATOM 627 C GLN A 638 2.075 1.764 9.799 1.00 74.14 C ATOM 628 O GLN A 638 2.260 1.515 10.990 1.00 63.53 O ATOM 629 CB GLN A 638 4.105 0.920 8.605 1.00 4.45 C ATOM 630 CG GLN A 638 4.587 2.241 8.029 1.00 4.54 C ATOM 631 CD GLN A 638 6.097 2.374 8.057 1.00 70.35 C ATOM 632 OE1 GLN A 638 6.715 2.354 9.122 1.00 54.43 O ATOM 633 NE2 GLN A 638 6.701 2.507 6.882 1.00 42.54 N ATOM 0 H GLN A 638 2.617 1.407 6.701 1.00 34.14 H new ATOM 0 HA GLN A 638 2.312 -0.200 8.990 1.00 1.23 H new ATOM 0 HB2 GLN A 638 4.542 0.784 9.594 1.00 4.45 H new ATOM 0 HB3 GLN A 638 4.471 0.105 7.980 1.00 4.45 H new ATOM 0 HG2 GLN A 638 4.237 2.334 7.001 1.00 4.54 H new ATOM 0 HG3 GLN A 638 4.143 3.062 8.592 1.00 4.54 H new ATOM 0 HE21 GLN A 638 6.150 2.519 6.024 1.00 42.54 H new ATOM 0 HE22 GLN A 638 7.716 2.598 6.838 1.00 42.54 H new ATOM 642 N SER A 639 1.434 2.849 9.378 1.00 33.23 N ATOM 643 CA SER A 639 0.902 3.834 10.314 1.00 72.35 C ATOM 644 C SER A 639 -0.274 3.260 11.096 1.00 34.35 C ATOM 645 O SER A 639 -0.387 3.462 12.306 1.00 74.33 O ATOM 646 CB SER A 639 0.464 5.095 9.566 1.00 44.15 C ATOM 647 OG SER A 639 -0.943 5.136 9.415 1.00 54.11 O ATOM 0 H SER A 639 1.270 3.069 8.396 1.00 33.23 H new ATOM 0 HA SER A 639 1.693 4.093 11.018 1.00 72.35 H new ATOM 0 HB2 SER A 639 0.800 5.979 10.109 1.00 44.15 H new ATOM 0 HB3 SER A 639 0.939 5.123 8.585 1.00 44.15 H new ATOM 0 HG SER A 639 -1.216 4.500 8.721 1.00 54.11 H new ATOM 653 N ARG A 640 -1.149 2.542 10.397 1.00 12.12 N ATOM 654 CA ARG A 640 -2.318 1.940 11.025 1.00 32.24 C ATOM 655 C ARG A 640 -2.130 0.434 11.192 1.00 1.53 C ATOM 656 O ARG A 640 -2.586 -0.152 12.173 1.00 33.31 O ATOM 657 CB ARG A 640 -3.571 2.218 10.193 1.00 14.13 C ATOM 658 CG ARG A 640 -4.186 3.584 10.457 1.00 50.14 C ATOM 659 CD ARG A 640 -5.702 3.506 10.532 1.00 12.44 C ATOM 660 NE ARG A 640 -6.307 4.819 10.747 1.00 13.24 N ATOM 661 CZ ARG A 640 -7.603 5.002 10.978 1.00 44.13 C ATOM 662 NH1 ARG A 640 -8.424 3.963 11.024 1.00 53.33 N ATOM 663 NH2 ARG A 640 -8.077 6.227 11.163 1.00 34.13 N ATOM 0 H ARG A 640 -1.069 2.364 9.396 1.00 12.12 H new ATOM 0 HA ARG A 640 -2.439 2.386 12.012 1.00 32.24 H new ATOM 0 HB2 ARG A 640 -3.319 2.140 9.135 1.00 14.13 H new ATOM 0 HB3 ARG A 640 -4.314 1.448 10.401 1.00 14.13 H new ATOM 0 HG2 ARG A 640 -3.794 3.986 11.391 1.00 50.14 H new ATOM 0 HG3 ARG A 640 -3.895 4.275 9.666 1.00 50.14 H new ATOM 0 HD2 ARG A 640 -6.089 3.075 9.609 1.00 12.44 H new ATOM 0 HD3 ARG A 640 -5.991 2.836 11.342 1.00 12.44 H new ATOM 0 HE ARG A 640 -5.702 5.639 10.718 1.00 13.24 H new ATOM 0 HH11 ARG A 640 -8.062 3.020 10.882 1.00 53.33 H new ATOM 0 HH12 ARG A 640 -9.418 4.106 11.201 1.00 53.33 H new ATOM 0 HH21 ARG A 640 -7.447 7.028 11.128 1.00 34.13 H new ATOM 0 HH22 ARG A 640 -9.072 6.368 11.340 1.00 34.13 H new ATOM 677 N GLU A 641 -1.456 -0.184 10.227 1.00 53.30 N ATOM 678 CA GLU A 641 -1.210 -1.620 10.268 1.00 52.34 C ATOM 679 C GLU A 641 -0.662 -2.040 11.629 1.00 72.10 C ATOM 680 O GLU A 641 0.490 -1.773 11.972 1.00 13.53 O ATOM 681 CB GLU A 641 -0.229 -2.023 9.165 1.00 22.11 C ATOM 682 CG GLU A 641 -0.159 -3.522 8.931 1.00 72.22 C ATOM 683 CD GLU A 641 0.434 -3.875 7.580 1.00 55.10 C ATOM 684 OE1 GLU A 641 1.431 -3.235 7.185 1.00 1.24 O ATOM 685 OE2 GLU A 641 -0.100 -4.790 6.918 1.00 0.24 O ATOM 0 H GLU A 641 -1.071 0.287 9.408 1.00 53.30 H new ATOM 0 HA GLU A 641 -2.159 -2.130 10.105 1.00 52.34 H new ATOM 0 HB2 GLU A 641 -0.518 -1.532 8.236 1.00 22.11 H new ATOM 0 HB3 GLU A 641 0.765 -1.657 9.423 1.00 22.11 H new ATOM 0 HG2 GLU A 641 0.440 -3.981 9.718 1.00 72.22 H new ATOM 0 HG3 GLU A 641 -1.161 -3.945 9.005 1.00 72.22 H new ATOM 797 N PRO A 649 12.635 -0.731 10.103 1.00 2.12 N ATOM 798 CA PRO A 649 11.706 0.105 9.339 1.00 34.51 C ATOM 799 C PRO A 649 11.979 0.056 7.839 1.00 24.52 C ATOM 800 O PRO A 649 11.158 0.491 7.033 1.00 13.12 O ATOM 801 CB PRO A 649 11.963 1.512 9.883 1.00 23.23 C ATOM 802 CG PRO A 649 13.362 1.470 10.395 1.00 22.22 C ATOM 803 CD PRO A 649 13.573 0.071 10.907 1.00 42.44 C ATOM 0 HA PRO A 649 10.674 -0.228 9.451 1.00 34.51 H new ATOM 0 HB2 PRO A 649 11.849 2.265 9.103 1.00 23.23 H new ATOM 0 HB3 PRO A 649 11.259 1.765 10.676 1.00 23.23 H new ATOM 0 HG2 PRO A 649 14.074 1.708 9.605 1.00 22.22 H new ATOM 0 HG3 PRO A 649 13.509 2.203 11.189 1.00 22.22 H new ATOM 0 HD2 PRO A 649 14.603 -0.257 10.768 1.00 42.44 H new ATOM 0 HD3 PRO A 649 13.355 -0.004 11.972 1.00 42.44 H new ATOM 811 N ASP A 650 13.139 -0.479 7.472 1.00 30.34 N ATOM 812 CA ASP A 650 13.521 -0.588 6.069 1.00 1.53 C ATOM 813 C ASP A 650 12.734 -1.695 5.376 1.00 23.04 C ATOM 814 O ASP A 650 12.872 -1.906 4.171 1.00 52.40 O ATOM 815 CB ASP A 650 15.021 -0.857 5.946 1.00 3.41 C ATOM 816 CG ASP A 650 15.332 -1.969 4.963 1.00 51.30 C ATOM 817 OD1 ASP A 650 15.409 -1.684 3.750 1.00 53.34 O ATOM 818 OD2 ASP A 650 15.497 -3.123 5.407 1.00 22.33 O ATOM 0 H ASP A 650 13.831 -0.844 8.127 1.00 30.34 H new ATOM 0 HA ASP A 650 13.289 0.358 5.580 1.00 1.53 H new ATOM 0 HB2 ASP A 650 15.526 0.056 5.629 1.00 3.41 H new ATOM 0 HB3 ASP A 650 15.421 -1.119 6.925 1.00 3.41 H new ATOM 823 N GLU A 651 11.911 -2.401 6.146 1.00 41.32 N ATOM 824 CA GLU A 651 11.105 -3.488 5.604 1.00 12.42 C ATOM 825 C GLU A 651 9.640 -3.331 6.005 1.00 12.41 C ATOM 826 O GLU A 651 9.332 -2.984 7.146 1.00 73.44 O ATOM 827 CB GLU A 651 11.636 -4.838 6.092 1.00 75.11 C ATOM 828 CG GLU A 651 10.707 -6.002 5.789 1.00 51.50 C ATOM 829 CD GLU A 651 11.352 -7.348 6.060 1.00 35.05 C ATOM 830 OE1 GLU A 651 12.589 -7.392 6.218 1.00 20.11 O ATOM 831 OE2 GLU A 651 10.617 -8.356 6.116 1.00 14.22 O ATOM 0 H GLU A 651 11.785 -2.240 7.145 1.00 41.32 H new ATOM 0 HA GLU A 651 11.173 -3.450 4.517 1.00 12.42 H new ATOM 0 HB2 GLU A 651 12.605 -5.027 5.629 1.00 75.11 H new ATOM 0 HB3 GLU A 651 11.802 -4.787 7.168 1.00 75.11 H new ATOM 0 HG2 GLU A 651 9.804 -5.908 6.392 1.00 51.50 H new ATOM 0 HG3 GLU A 651 10.399 -5.954 4.744 1.00 51.50 H new ATOM 838 N ILE A 652 8.744 -3.586 5.059 1.00 74.15 N ATOM 839 CA ILE A 652 7.312 -3.474 5.312 1.00 42.13 C ATOM 840 C ILE A 652 6.541 -4.584 4.607 1.00 32.13 C ATOM 841 O ILE A 652 6.842 -4.936 3.468 1.00 50.35 O ATOM 842 CB ILE A 652 6.765 -2.110 4.851 1.00 73.24 C ATOM 843 CG1 ILE A 652 5.890 -1.491 5.943 1.00 71.52 C ATOM 844 CG2 ILE A 652 5.977 -2.266 3.558 1.00 22.30 C ATOM 845 CD1 ILE A 652 5.215 -0.205 5.520 1.00 24.22 C ATOM 0 H ILE A 652 8.983 -3.872 4.110 1.00 74.15 H new ATOM 0 HA ILE A 652 7.173 -3.567 6.389 1.00 42.13 H new ATOM 0 HB ILE A 652 7.606 -1.442 4.664 1.00 73.24 H new ATOM 0 HG12 ILE A 652 5.128 -2.212 6.238 1.00 71.52 H new ATOM 0 HG13 ILE A 652 6.504 -1.297 6.823 1.00 71.52 H new ATOM 0 HG21 ILE A 652 5.597 -1.294 3.244 1.00 22.30 H new ATOM 0 HG22 ILE A 652 6.628 -2.669 2.782 1.00 22.30 H new ATOM 0 HG23 ILE A 652 5.142 -2.947 3.721 1.00 22.30 H new ATOM 0 HD11 ILE A 652 4.611 0.177 6.343 1.00 24.22 H new ATOM 0 HD12 ILE A 652 5.972 0.532 5.252 1.00 24.22 H new ATOM 0 HD13 ILE A 652 4.575 -0.396 4.659 1.00 24.22 H new ATOM 857 N GLU A 653 5.542 -5.131 5.294 1.00 40.24 N ATOM 858 CA GLU A 653 4.725 -6.201 4.733 1.00 42.14 C ATOM 859 C GLU A 653 3.275 -5.754 4.578 1.00 34.45 C ATOM 860 O GLU A 653 2.503 -5.777 5.537 1.00 35.23 O ATOM 861 CB GLU A 653 4.797 -7.446 5.620 1.00 0.13 C ATOM 862 CG GLU A 653 4.618 -8.747 4.857 1.00 33.43 C ATOM 863 CD GLU A 653 4.570 -9.957 5.771 1.00 50.43 C ATOM 864 OE1 GLU A 653 3.471 -10.284 6.264 1.00 75.43 O ATOM 865 OE2 GLU A 653 5.632 -10.575 5.994 1.00 61.02 O ATOM 0 H GLU A 653 5.279 -4.851 6.239 1.00 40.24 H new ATOM 0 HA GLU A 653 5.118 -6.445 3.746 1.00 42.14 H new ATOM 0 HB2 GLU A 653 5.760 -7.463 6.130 1.00 0.13 H new ATOM 0 HB3 GLU A 653 4.029 -7.378 6.391 1.00 0.13 H new ATOM 0 HG2 GLU A 653 3.698 -8.699 4.275 1.00 33.43 H new ATOM 0 HG3 GLU A 653 5.438 -8.864 4.148 1.00 33.43 H new ATOM 872 N ILE A 654 2.912 -5.348 3.367 1.00 70.41 N ATOM 873 CA ILE A 654 1.554 -4.898 3.087 1.00 22.04 C ATOM 874 C ILE A 654 0.725 -6.010 2.454 1.00 45.13 C ATOM 875 O ILE A 654 0.951 -6.389 1.304 1.00 52.30 O ATOM 876 CB ILE A 654 1.549 -3.673 2.153 1.00 32.33 C ATOM 877 CG1 ILE A 654 2.640 -2.683 2.569 1.00 53.21 C ATOM 878 CG2 ILE A 654 0.183 -3.003 2.166 1.00 4.34 C ATOM 879 CD1 ILE A 654 2.555 -1.354 1.851 1.00 31.11 C ATOM 0 H ILE A 654 3.539 -5.321 2.563 1.00 70.41 H new ATOM 0 HA ILE A 654 1.111 -4.618 4.043 1.00 22.04 H new ATOM 0 HB ILE A 654 1.757 -4.008 1.137 1.00 32.33 H new ATOM 0 HG12 ILE A 654 2.573 -2.511 3.643 1.00 53.21 H new ATOM 0 HG13 ILE A 654 3.616 -3.129 2.377 1.00 53.21 H new ATOM 0 HG21 ILE A 654 0.195 -2.139 1.501 1.00 4.34 H new ATOM 0 HG22 ILE A 654 -0.573 -3.711 1.827 1.00 4.34 H new ATOM 0 HG23 ILE A 654 -0.053 -2.678 3.179 1.00 4.34 H new ATOM 0 HD11 ILE A 654 3.358 -0.703 2.195 1.00 31.11 H new ATOM 0 HD12 ILE A 654 2.652 -1.514 0.777 1.00 31.11 H new ATOM 0 HD13 ILE A 654 1.593 -0.887 2.063 1.00 31.11 H new ATOM 891 N ASP A 655 -0.236 -6.527 3.210 1.00 62.11 N ATOM 892 CA ASP A 655 -1.102 -7.594 2.722 1.00 62.21 C ATOM 893 C ASP A 655 -2.572 -7.216 2.876 1.00 4.13 C ATOM 894 O ASP A 655 -3.116 -7.237 3.980 1.00 0.22 O ATOM 895 CB ASP A 655 -0.816 -8.896 3.472 1.00 12.21 C ATOM 896 CG ASP A 655 0.212 -8.717 4.572 1.00 53.24 C ATOM 897 OD1 ASP A 655 1.395 -8.484 4.245 1.00 21.42 O ATOM 898 OD2 ASP A 655 -0.165 -8.809 5.759 1.00 55.24 O ATOM 0 H ASP A 655 -0.436 -6.225 4.164 1.00 62.11 H new ATOM 0 HA ASP A 655 -0.893 -7.741 1.662 1.00 62.21 H new ATOM 0 HB2 ASP A 655 -1.743 -9.275 3.903 1.00 12.21 H new ATOM 0 HB3 ASP A 655 -0.462 -9.648 2.767 1.00 12.21 H new ATOM 903 N PHE A 656 -3.209 -6.868 1.763 1.00 45.14 N ATOM 904 CA PHE A 656 -4.614 -6.482 1.775 1.00 12.14 C ATOM 905 C PHE A 656 -5.479 -7.596 2.358 1.00 54.04 C ATOM 906 O PHE A 656 -6.544 -7.341 2.918 1.00 13.54 O ATOM 907 CB PHE A 656 -5.084 -6.144 0.359 1.00 53.52 C ATOM 908 CG PHE A 656 -4.336 -5.001 -0.264 1.00 5.42 C ATOM 909 CD1 PHE A 656 -3.857 -3.961 0.517 1.00 1.41 C ATOM 910 CD2 PHE A 656 -4.111 -4.964 -1.631 1.00 31.54 C ATOM 911 CE1 PHE A 656 -3.167 -2.907 -0.054 1.00 33.05 C ATOM 912 CE2 PHE A 656 -3.421 -3.915 -2.207 1.00 1.33 C ATOM 913 CZ PHE A 656 -2.950 -2.884 -1.416 1.00 71.15 C ATOM 0 H PHE A 656 -2.774 -6.846 0.841 1.00 45.14 H new ATOM 0 HA PHE A 656 -4.717 -5.598 2.405 1.00 12.14 H new ATOM 0 HB2 PHE A 656 -4.975 -7.026 -0.272 1.00 53.52 H new ATOM 0 HB3 PHE A 656 -6.146 -5.901 0.386 1.00 53.52 H new ATOM 0 HD1 PHE A 656 -4.024 -3.974 1.584 1.00 1.41 H new ATOM 0 HD2 PHE A 656 -4.480 -5.765 -2.254 1.00 31.54 H new ATOM 0 HE1 PHE A 656 -2.799 -2.103 0.566 1.00 33.05 H new ATOM 0 HE2 PHE A 656 -3.250 -3.900 -3.273 1.00 1.33 H new ATOM 0 HZ PHE A 656 -2.413 -2.061 -1.864 1.00 71.15 H new ATOM 923 N GLU A 657 -5.012 -8.834 2.219 1.00 14.35 N ATOM 924 CA GLU A 657 -5.743 -9.986 2.730 1.00 35.55 C ATOM 925 C GLU A 657 -6.169 -9.763 4.178 1.00 4.33 C ATOM 926 O GLU A 657 -7.219 -10.240 4.611 1.00 50.04 O ATOM 927 CB GLU A 657 -4.884 -11.249 2.629 1.00 55.24 C ATOM 928 CG GLU A 657 -5.696 -12.527 2.493 1.00 3.12 C ATOM 929 CD GLU A 657 -6.048 -13.139 3.836 1.00 55.31 C ATOM 930 OE1 GLU A 657 -5.692 -12.541 4.873 1.00 43.12 O ATOM 931 OE2 GLU A 657 -6.682 -14.215 3.849 1.00 42.25 O ATOM 0 H GLU A 657 -4.132 -9.063 1.757 1.00 14.35 H new ATOM 0 HA GLU A 657 -6.638 -10.114 2.122 1.00 35.55 H new ATOM 0 HB2 GLU A 657 -4.218 -11.158 1.771 1.00 55.24 H new ATOM 0 HB3 GLU A 657 -4.253 -11.321 3.515 1.00 55.24 H new ATOM 0 HG2 GLU A 657 -6.613 -12.314 1.943 1.00 3.12 H new ATOM 0 HG3 GLU A 657 -5.132 -13.251 1.904 1.00 3.12 H new ATOM 938 N THR A 658 -5.346 -9.034 4.925 1.00 64.30 N ATOM 939 CA THR A 658 -5.634 -8.748 6.325 1.00 62.33 C ATOM 940 C THR A 658 -5.772 -7.249 6.563 1.00 41.30 C ATOM 941 O THR A 658 -6.419 -6.817 7.519 1.00 21.41 O ATOM 942 CB THR A 658 -4.535 -9.304 7.251 1.00 75.05 C ATOM 943 OG1 THR A 658 -4.737 -8.834 8.588 1.00 30.40 O ATOM 944 CG2 THR A 658 -3.156 -8.886 6.764 1.00 51.22 C ATOM 0 H THR A 658 -4.474 -8.630 4.583 1.00 64.30 H new ATOM 0 HA THR A 658 -6.578 -9.239 6.559 1.00 62.33 H new ATOM 0 HB THR A 658 -4.594 -10.392 7.236 1.00 75.05 H new ATOM 0 HG1 THR A 658 -4.035 -9.193 9.170 1.00 30.40 H new ATOM 0 HG21 THR A 658 -2.396 -9.290 7.433 1.00 51.22 H new ATOM 0 HG22 THR A 658 -2.994 -9.270 5.757 1.00 51.22 H new ATOM 0 HG23 THR A 658 -3.088 -7.798 6.753 1.00 51.22 H new ATOM 952 N LEU A 659 -5.162 -6.457 5.687 1.00 11.01 N ATOM 953 CA LEU A 659 -5.217 -5.004 5.802 1.00 41.31 C ATOM 954 C LEU A 659 -6.661 -4.515 5.839 1.00 74.21 C ATOM 955 O LEU A 659 -7.558 -5.148 5.279 1.00 44.02 O ATOM 956 CB LEU A 659 -4.476 -4.352 4.633 1.00 12.43 C ATOM 957 CG LEU A 659 -3.651 -3.110 4.970 1.00 11.34 C ATOM 958 CD1 LEU A 659 -2.429 -3.488 5.793 1.00 12.42 C ATOM 959 CD2 LEU A 659 -3.237 -2.383 3.699 1.00 31.51 C ATOM 0 H LEU A 659 -4.624 -6.797 4.890 1.00 11.01 H new ATOM 0 HA LEU A 659 -4.732 -4.720 6.736 1.00 41.31 H new ATOM 0 HB2 LEU A 659 -3.813 -5.095 4.190 1.00 12.43 H new ATOM 0 HB3 LEU A 659 -5.207 -4.082 3.871 1.00 12.43 H new ATOM 0 HG LEU A 659 -4.269 -2.437 5.564 1.00 11.34 H new ATOM 0 HD11 LEU A 659 -1.854 -2.591 6.023 1.00 12.42 H new ATOM 0 HD12 LEU A 659 -2.748 -3.963 6.721 1.00 12.42 H new ATOM 0 HD13 LEU A 659 -1.808 -4.181 5.225 1.00 12.42 H new ATOM 0 HD21 LEU A 659 -2.651 -1.502 3.959 1.00 31.51 H new ATOM 0 HD22 LEU A 659 -2.637 -3.048 3.078 1.00 31.51 H new ATOM 0 HD23 LEU A 659 -4.127 -2.078 3.148 1.00 31.51 H new ATOM 971 N LYS A 660 -6.882 -3.384 6.501 1.00 62.13 N ATOM 972 CA LYS A 660 -8.216 -2.807 6.608 1.00 22.44 C ATOM 973 C LYS A 660 -8.503 -1.876 5.434 1.00 21.24 C ATOM 974 O LYS A 660 -7.596 -1.406 4.748 1.00 40.22 O ATOM 975 CB LYS A 660 -8.359 -2.042 7.926 1.00 43.52 C ATOM 976 CG LYS A 660 -9.204 -2.763 8.961 1.00 70.43 C ATOM 977 CD LYS A 660 -9.950 -1.786 9.852 1.00 54.31 C ATOM 978 CE LYS A 660 -10.490 -2.468 11.100 1.00 51.25 C ATOM 979 NZ LYS A 660 -11.979 -2.488 11.121 1.00 30.34 N ATOM 0 H LYS A 660 -6.153 -2.849 6.972 1.00 62.13 H new ATOM 0 HA LYS A 660 -8.939 -3.622 6.587 1.00 22.44 H new ATOM 0 HB2 LYS A 660 -7.367 -1.862 8.341 1.00 43.52 H new ATOM 0 HB3 LYS A 660 -8.802 -1.067 7.724 1.00 43.52 H new ATOM 0 HG2 LYS A 660 -9.918 -3.416 8.458 1.00 70.43 H new ATOM 0 HG3 LYS A 660 -8.566 -3.400 9.573 1.00 70.43 H new ATOM 0 HD2 LYS A 660 -9.283 -0.973 10.140 1.00 54.31 H new ATOM 0 HD3 LYS A 660 -10.774 -1.340 9.295 1.00 54.31 H new ATOM 0 HE2 LYS A 660 -10.112 -3.489 11.148 1.00 51.25 H new ATOM 0 HE3 LYS A 660 -10.121 -1.950 11.985 1.00 51.25 H new ATOM 0 HZ1 LYS A 660 -12.308 -2.961 11.987 1.00 30.34 H new ATOM 0 HZ2 LYS A 660 -12.340 -1.513 11.101 1.00 30.34 H new ATOM 0 HZ3 LYS A 660 -12.331 -3.004 10.290 1.00 30.34 H new ATOM 993 N PRO A 661 -9.794 -1.603 5.197 1.00 75.51 N ATOM 994 CA PRO A 661 -10.231 -0.725 4.107 1.00 10.01 C ATOM 995 C PRO A 661 -9.867 0.735 4.357 1.00 24.44 C ATOM 996 O PRO A 661 -9.523 1.467 3.429 1.00 20.44 O ATOM 997 CB PRO A 661 -11.751 -0.902 4.095 1.00 14.00 C ATOM 998 CG PRO A 661 -12.095 -1.316 5.484 1.00 0.04 C ATOM 999 CD PRO A 661 -10.929 -2.129 5.974 1.00 23.34 C ATOM 0 HA PRO A 661 -9.751 -0.980 3.162 1.00 10.01 H new ATOM 0 HB2 PRO A 661 -12.255 0.025 3.822 1.00 14.00 H new ATOM 0 HB3 PRO A 661 -12.056 -1.657 3.370 1.00 14.00 H new ATOM 0 HG2 PRO A 661 -12.260 -0.447 6.121 1.00 0.04 H new ATOM 0 HG3 PRO A 661 -13.014 -1.902 5.500 1.00 0.04 H new ATOM 0 HD2 PRO A 661 -10.774 -2.004 7.046 1.00 23.34 H new ATOM 0 HD3 PRO A 661 -11.079 -3.194 5.796 1.00 23.34 H new ATOM 1007 N SER A 662 -9.942 1.151 5.617 1.00 33.00 N ATOM 1008 CA SER A 662 -9.623 2.524 5.989 1.00 15.44 C ATOM 1009 C SER A 662 -8.240 2.918 5.480 1.00 70.12 C ATOM 1010 O SER A 662 -8.065 3.977 4.877 1.00 22.11 O ATOM 1011 CB SER A 662 -9.686 2.691 7.509 1.00 53.54 C ATOM 1012 OG SER A 662 -8.796 3.703 7.948 1.00 12.21 O ATOM 0 H SER A 662 -10.221 0.557 6.398 1.00 33.00 H new ATOM 0 HA SER A 662 -10.361 3.180 5.527 1.00 15.44 H new ATOM 0 HB2 SER A 662 -10.703 2.942 7.809 1.00 53.54 H new ATOM 0 HB3 SER A 662 -9.435 1.747 7.993 1.00 53.54 H new ATOM 0 HG SER A 662 -9.273 4.326 8.535 1.00 12.21 H new ATOM 1018 N THR A 663 -7.258 2.056 5.727 1.00 40.13 N ATOM 1019 CA THR A 663 -5.890 2.313 5.296 1.00 61.55 C ATOM 1020 C THR A 663 -5.740 2.104 3.793 1.00 25.33 C ATOM 1021 O THR A 663 -5.059 2.874 3.114 1.00 34.21 O ATOM 1022 CB THR A 663 -4.889 1.403 6.032 1.00 75.43 C ATOM 1023 OG1 THR A 663 -5.034 1.560 7.448 1.00 44.25 O ATOM 1024 CG2 THR A 663 -3.460 1.728 5.624 1.00 54.21 C ATOM 0 H THR A 663 -7.385 1.174 6.223 1.00 40.13 H new ATOM 0 HA THR A 663 -5.671 3.353 5.540 1.00 61.55 H new ATOM 0 HB THR A 663 -5.102 0.370 5.758 1.00 75.43 H new ATOM 0 HG1 THR A 663 -4.650 0.782 7.904 1.00 44.25 H new ATOM 0 HG21 THR A 663 -2.771 1.072 6.157 1.00 54.21 H new ATOM 0 HG22 THR A 663 -3.345 1.579 4.550 1.00 54.21 H new ATOM 0 HG23 THR A 663 -3.238 2.766 5.872 1.00 54.21 H new ATOM 1032 N LEU A 664 -6.377 1.058 3.279 1.00 53.01 N ATOM 1033 CA LEU A 664 -6.315 0.748 1.855 1.00 24.11 C ATOM 1034 C LEU A 664 -6.724 1.955 1.016 1.00 3.10 C ATOM 1035 O LEU A 664 -5.964 2.416 0.163 1.00 33.52 O ATOM 1036 CB LEU A 664 -7.220 -0.442 1.532 1.00 40.34 C ATOM 1037 CG LEU A 664 -6.515 -1.783 1.316 1.00 13.44 C ATOM 1038 CD1 LEU A 664 -7.048 -2.827 2.284 1.00 34.11 C ATOM 1039 CD2 LEU A 664 -6.686 -2.249 -0.122 1.00 2.05 C ATOM 0 H LEU A 664 -6.943 0.410 3.827 1.00 53.01 H new ATOM 0 HA LEU A 664 -5.285 0.490 1.609 1.00 24.11 H new ATOM 0 HB2 LEU A 664 -7.937 -0.558 2.344 1.00 40.34 H new ATOM 0 HB3 LEU A 664 -7.791 -0.206 0.634 1.00 40.34 H new ATOM 0 HG LEU A 664 -5.451 -1.648 1.509 1.00 13.44 H new ATOM 0 HD11 LEU A 664 -6.535 -3.774 2.116 1.00 34.11 H new ATOM 0 HD12 LEU A 664 -6.873 -2.497 3.308 1.00 34.11 H new ATOM 0 HD13 LEU A 664 -8.118 -2.960 2.123 1.00 34.11 H new ATOM 0 HD21 LEU A 664 -6.178 -3.204 -0.258 1.00 2.05 H new ATOM 0 HD22 LEU A 664 -7.747 -2.367 -0.342 1.00 2.05 H new ATOM 0 HD23 LEU A 664 -6.255 -1.510 -0.798 1.00 2.05 H new ATOM 1051 N ARG A 665 -7.926 2.462 1.266 1.00 44.43 N ATOM 1052 CA ARG A 665 -8.434 3.617 0.535 1.00 52.20 C ATOM 1053 C ARG A 665 -7.548 4.838 0.761 1.00 71.42 C ATOM 1054 O ARG A 665 -7.349 5.649 -0.144 1.00 74.41 O ATOM 1055 CB ARG A 665 -9.869 3.928 0.965 1.00 65.00 C ATOM 1056 CG ARG A 665 -10.442 5.177 0.316 1.00 5.31 C ATOM 1057 CD ARG A 665 -11.928 5.325 0.608 1.00 45.35 C ATOM 1058 NE ARG A 665 -12.378 6.707 0.469 1.00 4.22 N ATOM 1059 CZ ARG A 665 -13.655 7.070 0.490 1.00 50.33 C ATOM 1060 NH1 ARG A 665 -14.604 6.157 0.644 1.00 70.15 N ATOM 1061 NH2 ARG A 665 -13.985 8.349 0.358 1.00 74.42 N ATOM 0 H ARG A 665 -8.566 2.092 1.969 1.00 44.43 H new ATOM 0 HA ARG A 665 -8.424 3.375 -0.528 1.00 52.20 H new ATOM 0 HB2 ARG A 665 -10.505 3.077 0.720 1.00 65.00 H new ATOM 0 HB3 ARG A 665 -9.897 4.046 2.048 1.00 65.00 H new ATOM 0 HG2 ARG A 665 -9.909 6.055 0.681 1.00 5.31 H new ATOM 0 HG3 ARG A 665 -10.284 5.133 -0.762 1.00 5.31 H new ATOM 0 HD2 ARG A 665 -12.496 4.689 -0.071 1.00 45.35 H new ATOM 0 HD3 ARG A 665 -12.135 4.976 1.620 1.00 45.35 H new ATOM 0 HE ARG A 665 -11.672 7.434 0.349 1.00 4.22 H new ATOM 0 HH11 ARG A 665 -14.354 5.174 0.747 1.00 70.15 H new ATOM 0 HH12 ARG A 665 -15.584 6.438 0.660 1.00 70.15 H new ATOM 0 HH21 ARG A 665 -13.257 9.054 0.240 1.00 74.42 H new ATOM 0 HH22 ARG A 665 -14.966 8.627 0.374 1.00 74.42 H new ATOM 1075 N GLU A 666 -7.018 4.962 1.974 1.00 71.20 N ATOM 1076 CA GLU A 666 -6.153 6.085 2.318 1.00 73.50 C ATOM 1077 C GLU A 666 -5.047 6.258 1.281 1.00 32.33 C ATOM 1078 O GLU A 666 -4.638 7.378 0.974 1.00 72.25 O ATOM 1079 CB GLU A 666 -5.540 5.879 3.704 1.00 11.22 C ATOM 1080 CG GLU A 666 -5.024 7.159 4.338 1.00 45.41 C ATOM 1081 CD GLU A 666 -6.098 8.224 4.460 1.00 5.54 C ATOM 1082 OE1 GLU A 666 -7.261 7.863 4.737 1.00 3.24 O ATOM 1083 OE2 GLU A 666 -5.774 9.417 4.281 1.00 73.23 O ATOM 0 H GLU A 666 -7.172 4.300 2.734 1.00 71.20 H new ATOM 0 HA GLU A 666 -6.762 6.989 2.329 1.00 73.50 H new ATOM 0 HB2 GLU A 666 -6.288 5.435 4.360 1.00 11.22 H new ATOM 0 HB3 GLU A 666 -4.720 5.166 3.627 1.00 11.22 H new ATOM 0 HG2 GLU A 666 -4.626 6.935 5.328 1.00 45.41 H new ATOM 0 HG3 GLU A 666 -4.198 7.548 3.742 1.00 45.41 H new ATOM 1090 N LEU A 667 -4.566 5.141 0.747 1.00 62.43 N ATOM 1091 CA LEU A 667 -3.506 5.167 -0.256 1.00 33.24 C ATOM 1092 C LEU A 667 -4.048 5.613 -1.609 1.00 61.12 C ATOM 1093 O LEU A 667 -3.488 6.504 -2.249 1.00 74.12 O ATOM 1094 CB LEU A 667 -2.862 3.784 -0.382 1.00 11.30 C ATOM 1095 CG LEU A 667 -2.844 2.934 0.889 1.00 20.34 C ATOM 1096 CD1 LEU A 667 -2.109 1.625 0.645 1.00 43.11 C ATOM 1097 CD2 LEU A 667 -2.203 3.702 2.035 1.00 2.23 C ATOM 0 H LEU A 667 -4.893 4.206 0.991 1.00 62.43 H new ATOM 0 HA LEU A 667 -2.752 5.884 0.067 1.00 33.24 H new ATOM 0 HB2 LEU A 667 -3.389 3.229 -1.159 1.00 11.30 H new ATOM 0 HB3 LEU A 667 -1.835 3.913 -0.723 1.00 11.30 H new ATOM 0 HG LEU A 667 -3.873 2.703 1.164 1.00 20.34 H new ATOM 0 HD11 LEU A 667 -2.106 1.033 1.560 1.00 43.11 H new ATOM 0 HD12 LEU A 667 -2.611 1.068 -0.146 1.00 43.11 H new ATOM 0 HD13 LEU A 667 -1.082 1.835 0.345 1.00 43.11 H new ATOM 0 HD21 LEU A 667 -2.199 3.082 2.931 1.00 2.23 H new ATOM 0 HD22 LEU A 667 -1.179 3.963 1.770 1.00 2.23 H new ATOM 0 HD23 LEU A 667 -2.772 4.612 2.226 1.00 2.23 H new ATOM 1109 N GLU A 668 -5.141 4.990 -2.039 1.00 10.31 N ATOM 1110 CA GLU A 668 -5.759 5.325 -3.317 1.00 4.14 C ATOM 1111 C GLU A 668 -6.097 6.812 -3.384 1.00 30.14 C ATOM 1112 O GLU A 668 -6.161 7.396 -4.465 1.00 44.32 O ATOM 1113 CB GLU A 668 -7.024 4.492 -3.531 1.00 44.52 C ATOM 1114 CG GLU A 668 -7.696 4.740 -4.871 1.00 61.35 C ATOM 1115 CD GLU A 668 -8.475 3.536 -5.364 1.00 73.33 C ATOM 1116 OE1 GLU A 668 -9.181 2.910 -4.545 1.00 5.34 O ATOM 1117 OE2 GLU A 668 -8.379 3.218 -6.568 1.00 1.02 O ATOM 0 H GLU A 668 -5.617 4.251 -1.521 1.00 10.31 H new ATOM 0 HA GLU A 668 -5.045 5.096 -4.108 1.00 4.14 H new ATOM 0 HB2 GLU A 668 -6.771 3.435 -3.451 1.00 44.52 H new ATOM 0 HB3 GLU A 668 -7.733 4.711 -2.732 1.00 44.52 H new ATOM 0 HG2 GLU A 668 -8.369 5.593 -4.783 1.00 61.35 H new ATOM 0 HG3 GLU A 668 -6.939 5.006 -5.609 1.00 61.35 H new ATOM 1124 N ARG A 669 -6.314 7.416 -2.220 1.00 40.13 N ATOM 1125 CA ARG A 669 -6.648 8.833 -2.147 1.00 1.13 C ATOM 1126 C ARG A 669 -5.407 9.696 -2.350 1.00 63.25 C ATOM 1127 O ARG A 669 -5.475 10.767 -2.954 1.00 64.32 O ATOM 1128 CB ARG A 669 -7.292 9.158 -0.797 1.00 3.10 C ATOM 1129 CG ARG A 669 -8.578 9.958 -0.913 1.00 1.43 C ATOM 1130 CD ARG A 669 -8.495 11.262 -0.134 1.00 13.21 C ATOM 1131 NE ARG A 669 -7.805 12.306 -0.887 1.00 1.43 N ATOM 1132 CZ ARG A 669 -7.861 13.596 -0.575 1.00 23.25 C ATOM 1133 NH1 ARG A 669 -8.570 13.998 0.470 1.00 2.22 N ATOM 1134 NH2 ARG A 669 -7.205 14.486 -1.309 1.00 22.13 N ATOM 0 H ARG A 669 -6.265 6.947 -1.316 1.00 40.13 H new ATOM 0 HA ARG A 669 -7.358 9.054 -2.944 1.00 1.13 H new ATOM 0 HB2 ARG A 669 -7.500 8.227 -0.270 1.00 3.10 H new ATOM 0 HB3 ARG A 669 -6.580 9.717 -0.189 1.00 3.10 H new ATOM 0 HG2 ARG A 669 -8.781 10.172 -1.962 1.00 1.43 H new ATOM 0 HG3 ARG A 669 -9.413 9.363 -0.541 1.00 1.43 H new ATOM 0 HD2 ARG A 669 -9.501 11.600 0.116 1.00 13.21 H new ATOM 0 HD3 ARG A 669 -7.974 11.089 0.808 1.00 13.21 H new ATOM 0 HE ARG A 669 -7.250 12.029 -1.697 1.00 1.43 H new ATOM 0 HH11 ARG A 669 -9.074 13.316 1.037 1.00 2.22 H new ATOM 0 HH12 ARG A 669 -8.611 14.989 0.707 1.00 2.22 H new ATOM 0 HH21 ARG A 669 -6.657 14.180 -2.113 1.00 22.13 H new ATOM 0 HH22 ARG A 669 -7.248 15.476 -1.069 1.00 22.13 H new ATOM 1148 N TYR A 670 -4.274 9.223 -1.842 1.00 63.24 N ATOM 1149 CA TYR A 670 -3.017 9.952 -1.967 1.00 32.22 C ATOM 1150 C TYR A 670 -2.433 9.796 -3.367 1.00 20.15 C ATOM 1151 O TYR A 670 -1.896 10.745 -3.938 1.00 0.31 O ATOM 1152 CB TYR A 670 -2.012 9.459 -0.924 1.00 74.41 C ATOM 1153 CG TYR A 670 -2.062 10.228 0.377 1.00 50.13 C ATOM 1154 CD1 TYR A 670 -3.222 10.268 1.140 1.00 64.55 C ATOM 1155 CD2 TYR A 670 -0.948 10.915 0.843 1.00 23.30 C ATOM 1156 CE1 TYR A 670 -3.272 10.970 2.328 1.00 63.20 C ATOM 1157 CE2 TYR A 670 -0.987 11.619 2.031 1.00 33.30 C ATOM 1158 CZ TYR A 670 -2.152 11.643 2.770 1.00 51.20 C ATOM 1159 OH TYR A 670 -2.197 12.343 3.954 1.00 45.01 O ATOM 0 H TYR A 670 -4.200 8.338 -1.340 1.00 63.24 H new ATOM 0 HA TYR A 670 -3.220 11.009 -1.795 1.00 32.22 H new ATOM 0 HB2 TYR A 670 -2.200 8.405 -0.721 1.00 74.41 H new ATOM 0 HB3 TYR A 670 -1.007 9.529 -1.339 1.00 74.41 H new ATOM 0 HD1 TYR A 670 -4.100 9.741 0.798 1.00 64.55 H new ATOM 0 HD2 TYR A 670 -0.035 10.898 0.266 1.00 23.30 H new ATOM 0 HE1 TYR A 670 -4.183 10.992 2.908 1.00 63.20 H new ATOM 0 HE2 TYR A 670 -0.112 12.147 2.379 1.00 33.30 H new ATOM 0 HH TYR A 670 -1.325 12.759 4.122 1.00 45.01 H new ATOM 1169 N VAL A 671 -2.541 8.590 -3.916 1.00 3.24 N ATOM 1170 CA VAL A 671 -2.025 8.308 -5.249 1.00 73.12 C ATOM 1171 C VAL A 671 -2.813 9.062 -6.315 1.00 33.44 C ATOM 1172 O VAL A 671 -2.271 9.442 -7.352 1.00 52.12 O ATOM 1173 CB VAL A 671 -2.073 6.800 -5.562 1.00 44.14 C ATOM 1174 CG1 VAL A 671 -3.503 6.353 -5.818 1.00 73.53 C ATOM 1175 CG2 VAL A 671 -1.182 6.476 -6.753 1.00 32.24 C ATOM 0 H VAL A 671 -2.982 7.793 -3.457 1.00 3.24 H new ATOM 0 HA VAL A 671 -0.988 8.642 -5.264 1.00 73.12 H new ATOM 0 HB VAL A 671 -1.698 6.254 -4.697 1.00 44.14 H new ATOM 0 HG11 VAL A 671 -3.517 5.285 -6.037 1.00 73.53 H new ATOM 0 HG12 VAL A 671 -4.109 6.550 -4.934 1.00 73.53 H new ATOM 0 HG13 VAL A 671 -3.910 6.903 -6.667 1.00 73.53 H new ATOM 0 HG21 VAL A 671 -1.227 5.407 -6.961 1.00 32.24 H new ATOM 0 HG22 VAL A 671 -1.526 7.030 -7.626 1.00 32.24 H new ATOM 0 HG23 VAL A 671 -0.154 6.758 -6.526 1.00 32.24 H new ATOM 1185 N THR A 672 -4.099 9.276 -6.050 1.00 40.13 N ATOM 1186 CA THR A 672 -4.964 9.983 -6.986 1.00 0.35 C ATOM 1187 C THR A 672 -4.673 11.480 -6.979 1.00 33.24 C ATOM 1188 O THR A 672 -4.785 12.149 -8.006 1.00 13.10 O ATOM 1189 CB THR A 672 -6.451 9.760 -6.655 1.00 34.21 C ATOM 1190 OG1 THR A 672 -6.778 8.371 -6.783 1.00 43.22 O ATOM 1191 CG2 THR A 672 -7.341 10.582 -7.576 1.00 65.14 C ATOM 0 H THR A 672 -4.563 8.970 -5.195 1.00 40.13 H new ATOM 0 HA THR A 672 -4.755 9.579 -7.977 1.00 0.35 H new ATOM 0 HB THR A 672 -6.624 10.081 -5.628 1.00 34.21 H new ATOM 0 HG1 THR A 672 -6.605 7.915 -5.933 1.00 43.22 H new ATOM 0 HG21 THR A 672 -8.387 10.407 -7.323 1.00 65.14 H new ATOM 0 HG22 THR A 672 -7.110 11.640 -7.456 1.00 65.14 H new ATOM 0 HG23 THR A 672 -7.164 10.288 -8.611 1.00 65.14 H new ATOM 1199 N SER A 673 -4.298 11.999 -5.814 1.00 41.33 N ATOM 1200 CA SER A 673 -3.994 13.419 -5.672 1.00 63.43 C ATOM 1201 C SER A 673 -2.767 13.796 -6.497 1.00 24.44 C ATOM 1202 O SER A 673 -2.693 14.890 -7.055 1.00 52.44 O ATOM 1203 CB SER A 673 -3.762 13.768 -4.202 1.00 12.44 C ATOM 1204 OG SER A 673 -3.799 15.170 -3.998 1.00 71.01 O ATOM 0 H SER A 673 -4.197 11.458 -4.955 1.00 41.33 H new ATOM 0 HA SER A 673 -4.848 13.987 -6.042 1.00 63.43 H new ATOM 0 HB2 SER A 673 -4.523 13.288 -3.587 1.00 12.44 H new ATOM 0 HB3 SER A 673 -2.797 13.376 -3.880 1.00 12.44 H new ATOM 0 HG SER A 673 -3.649 15.367 -3.050 1.00 71.01 H new ATOM 1309 N THR B 389 16.811 4.054 -2.383 1.00 62.03 N ATOM 1310 CA THR B 389 15.378 4.312 -2.424 1.00 12.20 C ATOM 1311 C THR B 389 14.586 3.084 -1.993 1.00 74.34 C ATOM 1312 O THR B 389 15.160 2.085 -1.559 1.00 74.44 O ATOM 1313 CB THR B 389 14.922 4.734 -3.834 1.00 22.13 C ATOM 1314 OG1 THR B 389 16.049 4.794 -4.714 1.00 42.24 O ATOM 1315 CG2 THR B 389 14.228 6.087 -3.796 1.00 1.32 C ATOM 0 HA THR B 389 15.185 5.129 -1.728 1.00 12.20 H new ATOM 0 HB THR B 389 14.214 3.991 -4.201 1.00 22.13 H new ATOM 0 HG1 THR B 389 16.874 4.681 -4.197 1.00 42.24 H new ATOM 0 HG21 THR B 389 13.915 6.364 -4.803 1.00 1.32 H new ATOM 0 HG22 THR B 389 13.354 6.029 -3.147 1.00 1.32 H new ATOM 0 HG23 THR B 389 14.917 6.839 -3.411 1.00 1.32 H new ATOM 1323 N TRP B 390 13.266 3.164 -2.115 1.00 34.42 N ATOM 1324 CA TRP B 390 12.395 2.056 -1.738 1.00 31.14 C ATOM 1325 C TRP B 390 12.120 1.149 -2.933 1.00 2.14 C ATOM 1326 O TRP B 390 12.196 1.581 -4.082 1.00 53.15 O ATOM 1327 CB TRP B 390 11.076 2.587 -1.172 1.00 21.34 C ATOM 1328 CG TRP B 390 11.134 2.872 0.298 1.00 2.42 C ATOM 1329 CD1 TRP B 390 11.779 3.911 0.908 1.00 40.14 C ATOM 1330 CD2 TRP B 390 10.524 2.108 1.345 1.00 43.24 C ATOM 1331 NE1 TRP B 390 11.607 3.839 2.269 1.00 63.54 N ATOM 1332 CE2 TRP B 390 10.840 2.742 2.562 1.00 5.11 C ATOM 1333 CE3 TRP B 390 9.740 0.952 1.371 1.00 11.13 C ATOM 1334 CZ2 TRP B 390 10.400 2.256 3.790 1.00 74.41 C ATOM 1335 CZ3 TRP B 390 9.304 0.471 2.591 1.00 61.32 C ATOM 1336 CH2 TRP B 390 9.634 1.122 3.787 1.00 40.41 C ATOM 0 H TRP B 390 12.775 3.984 -2.472 1.00 34.42 H new ATOM 0 HA TRP B 390 12.903 1.472 -0.971 1.00 31.14 H new ATOM 0 HB2 TRP B 390 10.803 3.500 -1.702 1.00 21.34 H new ATOM 0 HB3 TRP B 390 10.287 1.859 -1.363 1.00 21.34 H new ATOM 0 HD1 TRP B 390 12.342 4.677 0.395 1.00 40.14 H new ATOM 0 HE1 TRP B 390 11.988 4.495 2.950 1.00 63.54 H new ATOM 0 HE3 TRP B 390 9.479 0.444 0.454 1.00 11.13 H new ATOM 0 HZ2 TRP B 390 10.654 2.756 4.713 1.00 74.41 H new ATOM 0 HZ3 TRP B 390 8.698 -0.423 2.623 1.00 61.32 H new ATOM 0 HH2 TRP B 390 9.277 0.721 4.724 1.00 40.41 H new ATOM 1347 N ARG B 391 11.801 -0.110 -2.652 1.00 21.34 N ATOM 1348 CA ARG B 391 11.517 -1.079 -3.704 1.00 12.13 C ATOM 1349 C ARG B 391 10.154 -1.731 -3.489 1.00 70.40 C ATOM 1350 O ARG B 391 9.532 -1.562 -2.439 1.00 64.53 O ATOM 1351 CB ARG B 391 12.606 -2.152 -3.747 1.00 41.24 C ATOM 1352 CG ARG B 391 12.748 -2.928 -2.449 1.00 5.22 C ATOM 1353 CD ARG B 391 14.188 -3.362 -2.214 1.00 12.52 C ATOM 1354 NE ARG B 391 15.075 -2.221 -2.004 1.00 61.14 N ATOM 1355 CZ ARG B 391 16.400 -2.317 -1.977 1.00 3.23 C ATOM 1356 NH1 ARG B 391 16.987 -3.494 -2.145 1.00 12.14 N ATOM 1357 NH2 ARG B 391 17.141 -1.233 -1.781 1.00 73.13 N ATOM 0 H ARG B 391 11.733 -0.483 -1.705 1.00 21.34 H new ATOM 0 HA ARG B 391 11.501 -0.549 -4.656 1.00 12.13 H new ATOM 0 HB2 ARG B 391 12.385 -2.849 -4.555 1.00 41.24 H new ATOM 0 HB3 ARG B 391 13.560 -1.680 -3.985 1.00 41.24 H new ATOM 0 HG2 ARG B 391 12.412 -2.310 -1.616 1.00 5.22 H new ATOM 0 HG3 ARG B 391 12.102 -3.806 -2.476 1.00 5.22 H new ATOM 0 HD2 ARG B 391 14.231 -4.020 -1.346 1.00 12.52 H new ATOM 0 HD3 ARG B 391 14.537 -3.940 -3.070 1.00 12.52 H new ATOM 0 HE ARG B 391 14.655 -1.301 -1.871 1.00 61.14 H new ATOM 0 HH11 ARG B 391 16.421 -4.329 -2.296 1.00 12.14 H new ATOM 0 HH12 ARG B 391 18.004 -3.564 -2.124 1.00 12.14 H new ATOM 0 HH21 ARG B 391 16.693 -0.326 -1.651 1.00 73.13 H new ATOM 0 HH22 ARG B 391 18.158 -1.307 -1.760 1.00 73.13 H new ATOM 1371 N VAL B 392 9.696 -2.476 -4.490 1.00 20.11 N ATOM 1372 CA VAL B 392 8.408 -3.155 -4.410 1.00 55.41 C ATOM 1373 C VAL B 392 8.508 -4.587 -4.919 1.00 23.31 C ATOM 1374 O VAL B 392 9.293 -4.882 -5.820 1.00 60.15 O ATOM 1375 CB VAL B 392 7.330 -2.408 -5.219 1.00 31.44 C ATOM 1376 CG1 VAL B 392 7.735 -2.304 -6.681 1.00 23.41 C ATOM 1377 CG2 VAL B 392 5.983 -3.103 -5.078 1.00 1.33 C ATOM 0 H VAL B 392 10.198 -2.625 -5.366 1.00 20.11 H new ATOM 0 HA VAL B 392 8.121 -3.167 -3.358 1.00 55.41 H new ATOM 0 HB VAL B 392 7.236 -1.398 -4.821 1.00 31.44 H new ATOM 0 HG11 VAL B 392 6.961 -1.773 -7.236 1.00 23.41 H new ATOM 0 HG12 VAL B 392 8.676 -1.760 -6.760 1.00 23.41 H new ATOM 0 HG13 VAL B 392 7.858 -3.304 -7.096 1.00 23.41 H new ATOM 0 HG21 VAL B 392 5.233 -2.563 -5.655 1.00 1.33 H new ATOM 0 HG22 VAL B 392 6.060 -4.125 -5.449 1.00 1.33 H new ATOM 0 HG23 VAL B 392 5.690 -3.120 -4.028 1.00 1.33 H new ATOM 1387 N GLN B 393 7.709 -5.475 -4.335 1.00 54.31 N ATOM 1388 CA GLN B 393 7.709 -6.878 -4.731 1.00 33.51 C ATOM 1389 C GLN B 393 6.518 -7.614 -4.126 1.00 30.55 C ATOM 1390 O GLN B 393 6.377 -7.686 -2.904 1.00 71.45 O ATOM 1391 CB GLN B 393 9.013 -7.552 -4.299 1.00 53.44 C ATOM 1392 CG GLN B 393 9.296 -7.430 -2.810 1.00 42.32 C ATOM 1393 CD GLN B 393 10.640 -6.788 -2.523 1.00 54.32 C ATOM 1394 OE1 GLN B 393 11.642 -7.103 -3.166 1.00 53.31 O ATOM 1395 NE2 GLN B 393 10.667 -5.882 -1.553 1.00 61.22 N ATOM 0 H GLN B 393 7.054 -5.248 -3.587 1.00 54.31 H new ATOM 0 HA GLN B 393 7.628 -6.923 -5.817 1.00 33.51 H new ATOM 0 HB2 GLN B 393 8.973 -8.608 -4.568 1.00 53.44 H new ATOM 0 HB3 GLN B 393 9.841 -7.113 -4.855 1.00 53.44 H new ATOM 0 HG2 GLN B 393 8.508 -6.840 -2.341 1.00 42.32 H new ATOM 0 HG3 GLN B 393 9.266 -8.420 -2.356 1.00 42.32 H new ATOM 0 HE21 GLN B 393 9.812 -5.652 -1.046 1.00 61.22 H new ATOM 0 HE22 GLN B 393 11.542 -5.416 -1.315 1.00 61.22 H new ATOM 1404 N ARG B 394 5.664 -8.158 -4.987 1.00 22.03 N ATOM 1405 CA ARG B 394 4.485 -8.887 -4.536 1.00 43.44 C ATOM 1406 C ARG B 394 4.868 -10.265 -4.003 1.00 11.32 C ATOM 1407 O ARG B 394 5.996 -10.721 -4.187 1.00 4.10 O ATOM 1408 CB ARG B 394 3.482 -9.032 -5.681 1.00 33.43 C ATOM 1409 CG ARG B 394 3.338 -7.779 -6.529 1.00 64.23 C ATOM 1410 CD ARG B 394 4.118 -7.895 -7.829 1.00 42.35 C ATOM 1411 NE ARG B 394 3.325 -8.511 -8.890 1.00 43.45 N ATOM 1412 CZ ARG B 394 3.757 -8.662 -10.137 1.00 11.52 C ATOM 1413 NH1 ARG B 394 4.968 -8.244 -10.478 1.00 23.03 N ATOM 1414 NH2 ARG B 394 2.977 -9.232 -11.046 1.00 42.42 N ATOM 0 H ARG B 394 5.767 -8.108 -6.001 1.00 22.03 H new ATOM 0 HA ARG B 394 4.024 -8.320 -3.727 1.00 43.44 H new ATOM 0 HB2 ARG B 394 3.791 -9.859 -6.320 1.00 33.43 H new ATOM 0 HB3 ARG B 394 2.508 -9.295 -5.268 1.00 33.43 H new ATOM 0 HG2 ARG B 394 2.285 -7.606 -6.749 1.00 64.23 H new ATOM 0 HG3 ARG B 394 3.692 -6.915 -5.967 1.00 64.23 H new ATOM 0 HD2 ARG B 394 4.442 -6.904 -8.147 1.00 42.35 H new ATOM 0 HD3 ARG B 394 5.018 -8.486 -7.660 1.00 42.35 H new ATOM 0 HE ARG B 394 2.388 -8.843 -8.661 1.00 43.45 H new ATOM 0 HH11 ARG B 394 5.571 -7.805 -9.782 1.00 23.03 H new ATOM 0 HH12 ARG B 394 5.297 -8.361 -11.436 1.00 23.03 H new ATOM 0 HH21 ARG B 394 2.045 -9.555 -10.788 1.00 42.42 H new ATOM 0 HH22 ARG B 394 3.310 -9.347 -12.003 1.00 42.42 H new ATOM 1428 N SER B 395 3.921 -10.921 -3.341 1.00 24.15 N ATOM 1429 CA SER B 395 4.160 -12.245 -2.777 1.00 4.43 C ATOM 1430 C SER B 395 3.081 -13.227 -3.220 1.00 21.52 C ATOM 1431 O SER B 395 2.221 -12.894 -4.034 1.00 54.45 O ATOM 1432 CB SER B 395 4.203 -12.171 -1.249 1.00 22.14 C ATOM 1433 OG SER B 395 5.374 -12.786 -0.741 1.00 43.25 O ATOM 0 H SER B 395 2.981 -10.558 -3.182 1.00 24.15 H new ATOM 0 HA SER B 395 5.123 -12.601 -3.144 1.00 4.43 H new ATOM 0 HB2 SER B 395 4.169 -11.129 -0.931 1.00 22.14 H new ATOM 0 HB3 SER B 395 3.322 -12.660 -0.833 1.00 22.14 H new ATOM 0 HG SER B 395 5.378 -12.724 0.237 1.00 43.25 H new ATOM 1439 N GLN B 396 3.133 -14.439 -2.676 1.00 41.25 N ATOM 1440 CA GLN B 396 2.161 -15.471 -3.016 1.00 3.01 C ATOM 1441 C GLN B 396 0.739 -14.985 -2.756 1.00 53.13 C ATOM 1442 O GLN B 396 -0.199 -15.386 -3.444 1.00 54.25 O ATOM 1443 CB GLN B 396 2.433 -16.743 -2.211 1.00 22.23 C ATOM 1444 CG GLN B 396 2.135 -16.599 -0.728 1.00 3.05 C ATOM 1445 CD GLN B 396 2.841 -17.645 0.114 1.00 40.54 C ATOM 1446 OE1 GLN B 396 3.820 -18.251 -0.322 1.00 2.44 O ATOM 1447 NE2 GLN B 396 2.346 -17.861 1.326 1.00 32.44 N ATOM 0 H GLN B 396 3.838 -14.730 -1.998 1.00 41.25 H new ATOM 0 HA GLN B 396 2.261 -15.694 -4.078 1.00 3.01 H new ATOM 0 HB2 GLN B 396 1.831 -17.556 -2.617 1.00 22.23 H new ATOM 0 HB3 GLN B 396 3.478 -17.027 -2.337 1.00 22.23 H new ATOM 0 HG2 GLN B 396 2.437 -15.606 -0.395 1.00 3.05 H new ATOM 0 HG3 GLN B 396 1.059 -16.675 -0.568 1.00 3.05 H new ATOM 0 HE21 GLN B 396 1.533 -17.335 1.646 1.00 32.44 H new ATOM 0 HE22 GLN B 396 2.779 -18.553 1.938 1.00 32.44 H new ATOM 1456 N ASN B 397 0.587 -14.119 -1.759 1.00 72.44 N ATOM 1457 CA ASN B 397 -0.721 -13.580 -1.409 1.00 11.13 C ATOM 1458 C ASN B 397 -1.464 -13.101 -2.652 1.00 72.25 C ATOM 1459 O ASN B 397 -0.883 -12.925 -3.723 1.00 43.43 O ATOM 1460 CB ASN B 397 -0.570 -12.425 -0.416 1.00 70.41 C ATOM 1461 CG ASN B 397 -0.779 -12.867 1.019 1.00 4.25 C ATOM 1462 OD1 ASN B 397 -0.628 -14.044 1.348 1.00 43.03 O ATOM 1463 ND2 ASN B 397 -1.128 -11.921 1.884 1.00 11.02 N ATOM 0 H ASN B 397 1.353 -13.776 -1.180 1.00 72.44 H new ATOM 0 HA ASN B 397 -1.302 -14.377 -0.945 1.00 11.13 H new ATOM 0 HB2 ASN B 397 0.424 -11.989 -0.518 1.00 70.41 H new ATOM 0 HB3 ASN B 397 -1.288 -11.642 -0.661 1.00 70.41 H new ATOM 0 HD21 ASN B 397 -1.282 -12.158 2.864 1.00 11.02 H new ATOM 0 HD22 ASN B 397 -1.242 -10.958 1.568 1.00 11.02 H new ATOM 1470 N PRO B 398 -2.780 -12.886 -2.510 1.00 32.42 N ATOM 1471 CA PRO B 398 -3.631 -12.424 -3.611 1.00 61.31 C ATOM 1472 C PRO B 398 -3.338 -10.981 -4.003 1.00 53.55 C ATOM 1473 O PRO B 398 -3.717 -10.531 -5.086 1.00 22.31 O ATOM 1474 CB PRO B 398 -5.046 -12.547 -3.041 1.00 74.43 C ATOM 1475 CG PRO B 398 -4.871 -12.447 -1.565 1.00 44.34 C ATOM 1476 CD PRO B 398 -3.539 -13.077 -1.263 1.00 13.14 C ATOM 0 HA PRO B 398 -3.472 -13.003 -4.520 1.00 61.31 H new ATOM 0 HB2 PRO B 398 -5.694 -11.756 -3.417 1.00 74.43 H new ATOM 0 HB3 PRO B 398 -5.505 -13.495 -3.322 1.00 74.43 H new ATOM 0 HG2 PRO B 398 -4.894 -11.407 -1.239 1.00 44.34 H new ATOM 0 HG3 PRO B 398 -5.675 -12.963 -1.041 1.00 44.34 H new ATOM 0 HD2 PRO B 398 -3.049 -12.595 -0.417 1.00 13.14 H new ATOM 0 HD3 PRO B 398 -3.642 -14.133 -1.013 1.00 13.14 H new ATOM 1484 N LEU B 399 -2.662 -10.257 -3.118 1.00 25.14 N ATOM 1485 CA LEU B 399 -2.317 -8.863 -3.373 1.00 10.14 C ATOM 1486 C LEU B 399 -1.514 -8.280 -2.214 1.00 63.43 C ATOM 1487 O LEU B 399 -1.929 -7.308 -1.583 1.00 32.15 O ATOM 1488 CB LEU B 399 -3.585 -8.036 -3.595 1.00 71.53 C ATOM 1489 CG LEU B 399 -3.510 -6.977 -4.695 1.00 52.53 C ATOM 1490 CD1 LEU B 399 -2.360 -6.016 -4.434 1.00 54.12 C ATOM 1491 CD2 LEU B 399 -3.359 -7.633 -6.059 1.00 31.21 C ATOM 0 H LEU B 399 -2.342 -10.612 -2.217 1.00 25.14 H new ATOM 0 HA LEU B 399 -1.703 -8.825 -4.273 1.00 10.14 H new ATOM 0 HB2 LEU B 399 -4.403 -8.717 -3.829 1.00 71.53 H new ATOM 0 HB3 LEU B 399 -3.841 -7.541 -2.658 1.00 71.53 H new ATOM 0 HG LEU B 399 -4.440 -6.409 -4.689 1.00 52.53 H new ATOM 0 HD11 LEU B 399 -2.322 -5.269 -5.227 1.00 54.12 H new ATOM 0 HD12 LEU B 399 -2.511 -5.520 -3.475 1.00 54.12 H new ATOM 0 HD13 LEU B 399 -1.421 -6.569 -4.412 1.00 54.12 H new ATOM 0 HD21 LEU B 399 -3.307 -6.863 -6.829 1.00 31.21 H new ATOM 0 HD22 LEU B 399 -2.445 -8.227 -6.078 1.00 31.21 H new ATOM 0 HD23 LEU B 399 -4.216 -8.279 -6.249 1.00 31.21 H new ATOM 1503 N LYS B 400 -0.360 -8.880 -1.940 1.00 72.03 N ATOM 1504 CA LYS B 400 0.505 -8.420 -0.861 1.00 32.13 C ATOM 1505 C LYS B 400 1.743 -7.721 -1.415 1.00 30.41 C ATOM 1506 O LYS B 400 2.666 -8.373 -1.904 1.00 44.35 O ATOM 1507 CB LYS B 400 0.923 -9.597 0.023 1.00 63.41 C ATOM 1508 CG LYS B 400 1.861 -9.207 1.152 1.00 23.41 C ATOM 1509 CD LYS B 400 2.675 -10.396 1.637 1.00 52.21 C ATOM 1510 CE LYS B 400 1.907 -11.217 2.662 1.00 52.44 C ATOM 1511 NZ LYS B 400 2.820 -11.925 3.601 1.00 51.21 N ATOM 0 H LYS B 400 -0.002 -9.687 -2.451 1.00 72.03 H new ATOM 0 HA LYS B 400 -0.056 -7.704 -0.260 1.00 32.13 H new ATOM 0 HB2 LYS B 400 0.030 -10.057 0.446 1.00 63.41 H new ATOM 0 HB3 LYS B 400 1.408 -10.352 -0.596 1.00 63.41 H new ATOM 0 HG2 LYS B 400 2.533 -8.419 0.812 1.00 23.41 H new ATOM 0 HG3 LYS B 400 1.284 -8.798 1.981 1.00 23.41 H new ATOM 0 HD2 LYS B 400 2.940 -11.027 0.789 1.00 52.21 H new ATOM 0 HD3 LYS B 400 3.608 -10.044 2.077 1.00 52.21 H new ATOM 0 HE2 LYS B 400 1.241 -10.563 3.226 1.00 52.44 H new ATOM 0 HE3 LYS B 400 1.279 -11.945 2.148 1.00 52.44 H new ATOM 0 HZ1 LYS B 400 2.520 -12.916 3.695 1.00 51.21 H new ATOM 0 HZ2 LYS B 400 3.792 -11.890 3.232 1.00 51.21 H new ATOM 0 HZ3 LYS B 400 2.786 -11.463 4.532 1.00 51.21 H new ATOM 1525 N ILE B 401 1.756 -6.396 -1.332 1.00 74.13 N ATOM 1526 CA ILE B 401 2.882 -5.611 -1.823 1.00 74.34 C ATOM 1527 C ILE B 401 3.935 -5.421 -0.737 1.00 63.54 C ATOM 1528 O ILE B 401 3.717 -4.697 0.234 1.00 34.41 O ATOM 1529 CB ILE B 401 2.427 -4.228 -2.328 1.00 71.51 C ATOM 1530 CG1 ILE B 401 1.142 -4.359 -3.148 1.00 44.03 C ATOM 1531 CG2 ILE B 401 3.527 -3.579 -3.155 1.00 12.14 C ATOM 1532 CD1 ILE B 401 -0.089 -3.857 -2.427 1.00 4.31 C ATOM 0 H ILE B 401 1.000 -5.843 -0.929 1.00 74.13 H new ATOM 0 HA ILE B 401 3.316 -6.168 -2.654 1.00 74.34 H new ATOM 0 HB ILE B 401 2.223 -3.591 -1.467 1.00 71.51 H new ATOM 0 HG12 ILE B 401 1.258 -3.806 -4.080 1.00 44.03 H new ATOM 0 HG13 ILE B 401 0.996 -5.406 -3.414 1.00 44.03 H new ATOM 0 HG21 ILE B 401 3.191 -2.603 -3.505 1.00 12.14 H new ATOM 0 HG22 ILE B 401 4.420 -3.457 -2.541 1.00 12.14 H new ATOM 0 HG23 ILE B 401 3.759 -4.211 -4.012 1.00 12.14 H new ATOM 0 HD11 ILE B 401 -0.962 -3.981 -3.068 1.00 4.31 H new ATOM 0 HD12 ILE B 401 -0.230 -4.426 -1.508 1.00 4.31 H new ATOM 0 HD13 ILE B 401 0.036 -2.802 -2.185 1.00 4.31 H new ATOM 1544 N ARG B 402 5.078 -6.077 -0.909 1.00 45.54 N ATOM 1545 CA ARG B 402 6.167 -5.980 0.056 1.00 64.21 C ATOM 1546 C ARG B 402 7.106 -4.830 -0.297 1.00 24.01 C ATOM 1547 O ARG B 402 7.898 -4.926 -1.235 1.00 74.44 O ATOM 1548 CB ARG B 402 6.949 -7.293 0.108 1.00 23.42 C ATOM 1549 CG ARG B 402 8.084 -7.287 1.119 1.00 22.45 C ATOM 1550 CD ARG B 402 7.912 -8.386 2.157 1.00 54.31 C ATOM 1551 NE ARG B 402 8.981 -9.377 2.087 1.00 71.42 N ATOM 1552 CZ ARG B 402 8.998 -10.381 1.216 1.00 14.04 C ATOM 1553 NH1 ARG B 402 8.007 -10.524 0.346 1.00 32.32 N ATOM 1554 NH2 ARG B 402 10.006 -11.243 1.214 1.00 64.31 N ATOM 0 H ARG B 402 5.274 -6.681 -1.707 1.00 45.54 H new ATOM 0 HA ARG B 402 5.733 -5.784 1.037 1.00 64.21 H new ATOM 0 HB2 ARG B 402 6.263 -8.105 0.349 1.00 23.42 H new ATOM 0 HB3 ARG B 402 7.356 -7.503 -0.881 1.00 23.42 H new ATOM 0 HG2 ARG B 402 9.034 -7.419 0.602 1.00 22.45 H new ATOM 0 HG3 ARG B 402 8.124 -6.318 1.617 1.00 22.45 H new ATOM 0 HD2 ARG B 402 7.892 -7.944 3.153 1.00 54.31 H new ATOM 0 HD3 ARG B 402 6.951 -8.878 2.008 1.00 54.31 H new ATOM 0 HE ARG B 402 9.758 -9.295 2.743 1.00 71.42 H new ATOM 0 HH11 ARG B 402 7.230 -9.863 0.345 1.00 32.32 H new ATOM 0 HH12 ARG B 402 8.022 -11.295 -0.322 1.00 32.32 H new ATOM 0 HH21 ARG B 402 10.770 -11.136 1.882 1.00 64.31 H new ATOM 0 HH22 ARG B 402 10.017 -12.013 0.545 1.00 64.31 H new ATOM 1568 N LEU B 403 7.013 -3.744 0.461 1.00 14.45 N ATOM 1569 CA LEU B 403 7.854 -2.574 0.230 1.00 42.15 C ATOM 1570 C LEU B 403 8.994 -2.514 1.241 1.00 52.52 C ATOM 1571 O LEU B 403 8.819 -2.851 2.412 1.00 14.43 O ATOM 1572 CB LEU B 403 7.017 -1.296 0.309 1.00 25.42 C ATOM 1573 CG LEU B 403 5.925 -1.141 -0.749 1.00 2.51 C ATOM 1574 CD1 LEU B 403 6.438 -1.577 -2.113 1.00 54.31 C ATOM 1575 CD2 LEU B 403 4.689 -1.940 -0.361 1.00 51.45 C ATOM 0 H LEU B 403 6.363 -3.648 1.242 1.00 14.45 H new ATOM 0 HA LEU B 403 8.284 -2.658 -0.768 1.00 42.15 H new ATOM 0 HB2 LEU B 403 6.550 -1.252 1.293 1.00 25.42 H new ATOM 0 HB3 LEU B 403 7.689 -0.441 0.236 1.00 25.42 H new ATOM 0 HG LEU B 403 5.649 -0.088 -0.807 1.00 2.51 H new ATOM 0 HD11 LEU B 403 5.647 -1.460 -2.854 1.00 54.31 H new ATOM 0 HD12 LEU B 403 7.293 -0.961 -2.394 1.00 54.31 H new ATOM 0 HD13 LEU B 403 6.743 -2.623 -2.070 1.00 54.31 H new ATOM 0 HD21 LEU B 403 3.922 -1.818 -1.126 1.00 51.45 H new ATOM 0 HD22 LEU B 403 4.950 -2.995 -0.274 1.00 51.45 H new ATOM 0 HD23 LEU B 403 4.309 -1.580 0.595 1.00 51.45 H new ATOM 1587 N THR B 404 10.164 -2.080 0.781 1.00 33.24 N ATOM 1588 CA THR B 404 11.333 -1.974 1.645 1.00 32.54 C ATOM 1589 C THR B 404 12.228 -0.816 1.220 1.00 11.52 C ATOM 1590 O THR B 404 12.369 -0.532 0.030 1.00 32.24 O ATOM 1591 CB THR B 404 12.158 -3.275 1.637 1.00 71.51 C ATOM 1592 OG1 THR B 404 12.769 -3.458 0.356 1.00 64.24 O ATOM 1593 CG2 THR B 404 11.280 -4.474 1.961 1.00 23.34 C ATOM 0 H THR B 404 10.327 -1.796 -0.185 1.00 33.24 H new ATOM 0 HA THR B 404 10.964 -1.793 2.654 1.00 32.54 H new ATOM 0 HB THR B 404 12.932 -3.194 2.401 1.00 71.51 H new ATOM 0 HG1 THR B 404 12.588 -4.366 0.034 1.00 64.24 H new ATOM 0 HG21 THR B 404 11.884 -5.381 1.950 1.00 23.34 H new ATOM 0 HG22 THR B 404 10.838 -4.345 2.949 1.00 23.34 H new ATOM 0 HG23 THR B 404 10.488 -4.556 1.217 1.00 23.34 H new ATOM 1601 N ARG B 405 12.831 -0.149 2.199 1.00 20.41 N ATOM 1602 CA ARG B 405 13.712 0.979 1.926 1.00 55.25 C ATOM 1603 C ARG B 405 14.680 0.651 0.792 1.00 51.03 C ATOM 1604 O ARG B 405 15.610 -0.137 0.966 1.00 51.41 O ATOM 1605 CB ARG B 405 14.494 1.360 3.184 1.00 14.34 C ATOM 1606 CG ARG B 405 13.772 2.362 4.069 1.00 40.43 C ATOM 1607 CD ARG B 405 14.609 2.738 5.282 1.00 33.34 C ATOM 1608 NE ARG B 405 15.974 3.102 4.915 1.00 61.14 N ATOM 1609 CZ ARG B 405 16.307 4.280 4.398 1.00 32.10 C ATOM 1610 NH1 ARG B 405 15.377 5.202 4.190 1.00 63.23 N ATOM 1611 NH2 ARG B 405 17.572 4.537 4.089 1.00 33.13 N ATOM 0 H ARG B 405 12.725 -0.371 3.189 1.00 20.41 H new ATOM 0 HA ARG B 405 13.095 1.824 1.621 1.00 55.25 H new ATOM 0 HB2 ARG B 405 14.698 0.459 3.762 1.00 14.34 H new ATOM 0 HB3 ARG B 405 15.458 1.776 2.891 1.00 14.34 H new ATOM 0 HG2 ARG B 405 13.541 3.258 3.493 1.00 40.43 H new ATOM 0 HG3 ARG B 405 12.822 1.941 4.397 1.00 40.43 H new ATOM 0 HD2 ARG B 405 14.139 3.573 5.802 1.00 33.34 H new ATOM 0 HD3 ARG B 405 14.632 1.901 5.980 1.00 33.34 H new ATOM 0 HE ARG B 405 16.713 2.415 5.063 1.00 61.14 H new ATOM 0 HH11 ARG B 405 14.404 5.008 4.427 1.00 63.23 H new ATOM 0 HH12 ARG B 405 15.634 6.106 3.793 1.00 63.23 H new ATOM 0 HH21 ARG B 405 18.290 3.830 4.248 1.00 33.13 H new ATOM 0 HH22 ARG B 405 17.826 5.442 3.692 1.00 33.13 H new