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 397 ASN : amide:sc= -2.13 K(o=-1.2,f=-4.7) USER MOD Set 1.2: B 400 LYS NZ :NH3+ 145:sc= 0.952 (180deg=0) USER MOD Set 2.1: B 393 GLN : amide:sc= 0.337 X(o=-0.045,f=-0.38) USER MOD Set 2.2: B 404 THR OG1 : rot 180:sc= -0.382 USER MOD Set 3.1: A 607 CYS SG : rot -54:sc= 0.716 USER MOD Set 3.2: A 662 SER OG : rot 48:sc= 1.4 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -159:sc= -0.113 (180deg=-0.912) 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+ 158:sc= -4.32! (180deg=-5.58!) USER MOD Single : A 617 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.013) USER MOD Single : A 619 SER OG : rot 41:sc= -1.99! USER MOD Single : A 623 ASN : amide:sc= -0.534 K(o=-0.53,f=-0.024) 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=-0.0055) USER MOD Single : A 638 GLN : amide:sc= -0.577 K(o=-0.58,f=0) USER MOD Single : A 639 SER OG : rot 180:sc= 0 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 663 THR OG1 : rot 160:sc= -0.566 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot -8:sc= 0.788 USER MOD Single : B 395 SER OG : rot 180:sc= 0 USER MOD Single : B 396 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -16.570 4.357 5.867 1.00 62.33 N ATOM 107 CA CYS A 607 -15.484 3.504 5.394 1.00 2.34 C ATOM 108 C CYS A 607 -16.031 2.284 4.660 1.00 51.13 C ATOM 109 O CYS A 607 -16.558 1.359 5.278 1.00 74.43 O ATOM 110 CB CYS A 607 -14.610 3.059 6.567 1.00 33.43 C ATOM 111 SG CYS A 607 -13.198 2.036 6.090 1.00 65.34 S ATOM 0 HA CYS A 607 -14.877 4.083 4.697 1.00 2.34 H new ATOM 0 HB2 CYS A 607 -14.244 3.943 7.089 1.00 33.43 H new ATOM 0 HB3 CYS A 607 -15.225 2.503 7.274 1.00 33.43 H new ATOM 0 HG CYS A 607 -13.613 1.025 5.386 1.00 65.34 H new ATOM 117 N LYS A 608 -15.902 2.289 3.338 1.00 53.03 N ATOM 118 CA LYS A 608 -16.384 1.184 2.517 1.00 22.53 C ATOM 119 C LYS A 608 -15.247 0.226 2.175 1.00 4.14 C ATOM 120 O LYS A 608 -14.069 0.578 2.228 1.00 0.01 O ATOM 121 CB LYS A 608 -17.021 1.715 1.232 1.00 42.34 C ATOM 122 CG LYS A 608 -18.482 2.099 1.390 1.00 21.43 C ATOM 123 CD LYS A 608 -18.634 3.524 1.895 1.00 22.22 C ATOM 124 CE LYS A 608 -19.432 4.378 0.923 1.00 73.15 C ATOM 125 NZ LYS A 608 -18.549 5.197 0.048 1.00 2.12 N ATOM 0 H LYS A 608 -15.467 3.047 2.811 1.00 53.03 H new ATOM 0 HA LYS A 608 -17.136 0.640 3.089 1.00 22.53 H new ATOM 0 HB2 LYS A 608 -16.460 2.585 0.891 1.00 42.34 H new ATOM 0 HB3 LYS A 608 -16.936 0.956 0.454 1.00 42.34 H new ATOM 0 HG2 LYS A 608 -18.992 1.995 0.432 1.00 21.43 H new ATOM 0 HG3 LYS A 608 -18.966 1.413 2.085 1.00 21.43 H new ATOM 0 HD2 LYS A 608 -19.130 3.516 2.866 1.00 22.22 H new ATOM 0 HD3 LYS A 608 -17.649 3.965 2.044 1.00 22.22 H new ATOM 0 HE2 LYS A 608 -20.059 3.735 0.306 1.00 73.15 H new ATOM 0 HE3 LYS A 608 -20.100 5.034 1.481 1.00 73.15 H new ATOM 0 HZ1 LYS A 608 -19.132 5.765 -0.600 1.00 2.12 H new ATOM 0 HZ2 LYS A 608 -17.968 5.829 0.635 1.00 2.12 H new ATOM 0 HZ3 LYS A 608 -17.929 4.570 -0.504 1.00 2.12 H new ATOM 139 N PRO A 609 -15.607 -1.015 1.814 1.00 41.04 N ATOM 140 CA PRO A 609 -14.631 -2.048 1.453 1.00 70.13 C ATOM 141 C PRO A 609 -13.941 -1.756 0.125 1.00 22.22 C ATOM 142 O PRO A 609 -14.432 -0.966 -0.680 1.00 13.25 O ATOM 143 CB PRO A 609 -15.482 -3.317 1.346 1.00 43.12 C ATOM 144 CG PRO A 609 -16.852 -2.827 1.027 1.00 34.04 C ATOM 145 CD PRO A 609 -16.993 -1.504 1.728 1.00 41.03 C ATOM 0 HA PRO A 609 -13.824 -2.119 2.182 1.00 70.13 H new ATOM 0 HB2 PRO A 609 -15.107 -3.981 0.567 1.00 43.12 H new ATOM 0 HB3 PRO A 609 -15.470 -3.882 2.278 1.00 43.12 H new ATOM 0 HG2 PRO A 609 -16.985 -2.715 -0.049 1.00 34.04 H new ATOM 0 HG3 PRO A 609 -17.608 -3.533 1.370 1.00 34.04 H new ATOM 0 HD2 PRO A 609 -17.627 -0.818 1.167 1.00 41.03 H new ATOM 0 HD3 PRO A 609 -17.441 -1.618 2.715 1.00 41.03 H new ATOM 153 N MET A 610 -12.799 -2.400 -0.097 1.00 3.43 N ATOM 154 CA MET A 610 -12.042 -2.209 -1.328 1.00 3.34 C ATOM 155 C MET A 610 -11.746 -3.547 -1.996 1.00 63.04 C ATOM 156 O MET A 610 -11.003 -4.370 -1.459 1.00 41.41 O ATOM 157 CB MET A 610 -10.734 -1.469 -1.039 1.00 51.23 C ATOM 158 CG MET A 610 -10.930 -0.153 -0.306 1.00 14.34 C ATOM 159 SD MET A 610 -11.428 1.188 -1.405 1.00 61.41 S ATOM 160 CE MET A 610 -9.930 1.417 -2.359 1.00 3.20 C ATOM 0 H MET A 610 -12.379 -3.058 0.559 1.00 3.43 H new ATOM 0 HA MET A 610 -12.647 -1.609 -2.008 1.00 3.34 H new ATOM 0 HB2 MET A 610 -10.085 -2.113 -0.445 1.00 51.23 H new ATOM 0 HB3 MET A 610 -10.219 -1.278 -1.980 1.00 51.23 H new ATOM 0 HG2 MET A 610 -11.686 -0.282 0.469 1.00 14.34 H new ATOM 0 HG3 MET A 610 -10.002 0.120 0.197 1.00 14.34 H new ATOM 0 HE1 MET A 610 -9.930 2.412 -2.803 1.00 3.20 H new ATOM 0 HE2 MET A 610 -9.063 1.311 -1.707 1.00 3.20 H new ATOM 0 HE3 MET A 610 -9.883 0.667 -3.149 1.00 3.20 H new ATOM 170 N SER A 611 -12.331 -3.760 -3.171 1.00 24.33 N ATOM 171 CA SER A 611 -12.132 -5.001 -3.911 1.00 20.20 C ATOM 172 C SER A 611 -10.678 -5.147 -4.346 1.00 4.20 C ATOM 173 O SER A 611 -9.937 -4.166 -4.417 1.00 2.31 O ATOM 174 CB SER A 611 -13.049 -5.042 -5.134 1.00 60.44 C ATOM 175 OG SER A 611 -14.113 -5.958 -4.944 1.00 61.53 O ATOM 0 H SER A 611 -12.947 -3.089 -3.631 1.00 24.33 H new ATOM 0 HA SER A 611 -12.380 -5.832 -3.251 1.00 20.20 H new ATOM 0 HB2 SER A 611 -13.451 -4.047 -5.324 1.00 60.44 H new ATOM 0 HB3 SER A 611 -12.473 -5.326 -6.015 1.00 60.44 H new ATOM 0 HG SER A 611 -14.685 -5.964 -5.739 1.00 61.53 H new ATOM 181 N TYR A 612 -10.274 -6.379 -4.636 1.00 1.41 N ATOM 182 CA TYR A 612 -8.908 -6.656 -5.063 1.00 3.32 C ATOM 183 C TYR A 612 -8.615 -6.006 -6.412 1.00 35.44 C ATOM 184 O TYR A 612 -7.490 -5.586 -6.679 1.00 75.22 O ATOM 185 CB TYR A 612 -8.673 -8.165 -5.149 1.00 74.03 C ATOM 186 CG TYR A 612 -9.229 -8.932 -3.971 1.00 74.30 C ATOM 187 CD1 TYR A 612 -8.740 -8.724 -2.687 1.00 72.52 C ATOM 188 CD2 TYR A 612 -10.245 -9.864 -4.141 1.00 73.45 C ATOM 189 CE1 TYR A 612 -9.245 -9.424 -1.608 1.00 33.42 C ATOM 190 CE2 TYR A 612 -10.757 -10.568 -3.068 1.00 32.31 C ATOM 191 CZ TYR A 612 -10.253 -10.344 -1.804 1.00 32.34 C ATOM 192 OH TYR A 612 -10.760 -11.043 -0.731 1.00 11.52 O ATOM 0 H TYR A 612 -10.874 -7.202 -4.583 1.00 1.41 H new ATOM 0 HA TYR A 612 -8.231 -6.232 -4.322 1.00 3.32 H new ATOM 0 HB2 TYR A 612 -9.127 -8.543 -6.065 1.00 74.03 H new ATOM 0 HB3 TYR A 612 -7.602 -8.354 -5.222 1.00 74.03 H new ATOM 0 HD1 TYR A 612 -7.952 -8.003 -2.530 1.00 72.52 H new ATOM 0 HD2 TYR A 612 -10.642 -10.041 -5.130 1.00 73.45 H new ATOM 0 HE1 TYR A 612 -8.852 -9.251 -0.617 1.00 33.42 H new ATOM 0 HE2 TYR A 612 -11.547 -11.289 -3.218 1.00 32.31 H new ATOM 0 HH TYR A 612 -11.465 -11.650 -1.040 1.00 11.52 H new ATOM 202 N GLU A 613 -9.639 -5.928 -7.257 1.00 25.11 N ATOM 203 CA GLU A 613 -9.491 -5.330 -8.579 1.00 13.34 C ATOM 204 C GLU A 613 -8.863 -3.943 -8.482 1.00 63.41 C ATOM 205 O GLU A 613 -7.769 -3.709 -8.996 1.00 22.41 O ATOM 206 CB GLU A 613 -10.851 -5.238 -9.275 1.00 52.22 C ATOM 207 CG GLU A 613 -11.134 -6.399 -10.214 1.00 42.51 C ATOM 208 CD GLU A 613 -12.608 -6.537 -10.543 1.00 61.32 C ATOM 209 OE1 GLU A 613 -13.390 -5.649 -10.143 1.00 43.13 O ATOM 210 OE2 GLU A 613 -12.980 -7.532 -11.198 1.00 63.25 O ATOM 0 H GLU A 613 -10.577 -6.270 -7.050 1.00 25.11 H new ATOM 0 HA GLU A 613 -8.831 -5.968 -9.167 1.00 13.34 H new ATOM 0 HB2 GLU A 613 -11.635 -5.194 -8.519 1.00 52.22 H new ATOM 0 HB3 GLU A 613 -10.899 -4.306 -9.838 1.00 52.22 H new ATOM 0 HG2 GLU A 613 -10.571 -6.261 -11.137 1.00 42.51 H new ATOM 0 HG3 GLU A 613 -10.779 -7.324 -9.760 1.00 42.51 H new ATOM 217 N GLU A 614 -9.563 -3.027 -7.820 1.00 73.22 N ATOM 218 CA GLU A 614 -9.073 -1.663 -7.658 1.00 14.25 C ATOM 219 C GLU A 614 -7.693 -1.655 -7.008 1.00 4.41 C ATOM 220 O GLU A 614 -6.881 -0.763 -7.258 1.00 74.00 O ATOM 221 CB GLU A 614 -10.052 -0.844 -6.813 1.00 33.41 C ATOM 222 CG GLU A 614 -9.840 0.656 -6.921 1.00 53.31 C ATOM 223 CD GLU A 614 -10.559 1.263 -8.111 1.00 34.13 C ATOM 224 OE1 GLU A 614 -11.290 0.524 -8.802 1.00 52.11 O ATOM 225 OE2 GLU A 614 -10.390 2.477 -8.349 1.00 72.22 O ATOM 0 H GLU A 614 -10.470 -3.204 -7.388 1.00 73.22 H new ATOM 0 HA GLU A 614 -8.992 -1.212 -8.647 1.00 14.25 H new ATOM 0 HB2 GLU A 614 -11.071 -1.082 -7.120 1.00 33.41 H new ATOM 0 HB3 GLU A 614 -9.956 -1.142 -5.769 1.00 33.41 H new ATOM 0 HG2 GLU A 614 -10.190 1.135 -6.007 1.00 53.31 H new ATOM 0 HG3 GLU A 614 -8.773 0.863 -7.001 1.00 53.31 H new ATOM 232 N LYS A 615 -7.433 -2.654 -6.172 1.00 2.32 N ATOM 233 CA LYS A 615 -6.151 -2.763 -5.485 1.00 71.55 C ATOM 234 C LYS A 615 -5.046 -3.163 -6.458 1.00 24.21 C ATOM 235 O LYS A 615 -3.932 -2.643 -6.394 1.00 15.44 O ATOM 236 CB LYS A 615 -6.242 -3.788 -4.352 1.00 14.32 C ATOM 237 CG LYS A 615 -6.922 -3.252 -3.102 1.00 65.23 C ATOM 238 CD LYS A 615 -6.132 -2.111 -2.484 1.00 21.41 C ATOM 239 CE LYS A 615 -7.018 -0.907 -2.204 1.00 62.31 C ATOM 240 NZ LYS A 615 -6.253 0.215 -1.593 1.00 35.33 N ATOM 0 H LYS A 615 -8.093 -3.400 -5.953 1.00 2.32 H new ATOM 0 HA LYS A 615 -5.907 -1.787 -5.065 1.00 71.55 H new ATOM 0 HB2 LYS A 615 -6.788 -4.662 -4.707 1.00 14.32 H new ATOM 0 HB3 LYS A 615 -5.237 -4.123 -4.094 1.00 14.32 H new ATOM 0 HG2 LYS A 615 -7.926 -2.908 -3.352 1.00 65.23 H new ATOM 0 HG3 LYS A 615 -7.033 -4.056 -2.374 1.00 65.23 H new ATOM 0 HD2 LYS A 615 -5.670 -2.448 -1.556 1.00 21.41 H new ATOM 0 HD3 LYS A 615 -5.324 -1.821 -3.155 1.00 21.41 H new ATOM 0 HE2 LYS A 615 -7.477 -0.570 -3.133 1.00 62.31 H new ATOM 0 HE3 LYS A 615 -7.828 -1.200 -1.536 1.00 62.31 H new ATOM 0 HZ1 LYS A 615 -6.759 1.109 -1.755 1.00 35.33 H new ATOM 0 HZ2 LYS A 615 -6.155 0.052 -0.570 1.00 35.33 H new ATOM 0 HZ3 LYS A 615 -5.309 0.268 -2.027 1.00 35.33 H new ATOM 254 N ARG A 616 -5.361 -4.090 -7.357 1.00 54.11 N ATOM 255 CA ARG A 616 -4.394 -4.559 -8.342 1.00 53.44 C ATOM 256 C ARG A 616 -3.762 -3.384 -9.084 1.00 73.44 C ATOM 257 O ARG A 616 -2.601 -3.446 -9.487 1.00 60.30 O ATOM 258 CB ARG A 616 -5.068 -5.503 -9.339 1.00 74.30 C ATOM 259 CG ARG A 616 -5.628 -4.798 -10.564 1.00 12.53 C ATOM 260 CD ARG A 616 -4.602 -4.725 -11.683 1.00 3.34 C ATOM 261 NE ARG A 616 -4.773 -5.802 -12.654 1.00 24.31 N ATOM 262 CZ ARG A 616 -3.953 -6.005 -13.679 1.00 3.53 C ATOM 263 NH1 ARG A 616 -2.910 -5.207 -13.866 1.00 73.33 N ATOM 264 NH2 ARG A 616 -4.174 -7.007 -14.519 1.00 73.32 N ATOM 0 H ARG A 616 -6.278 -4.531 -7.423 1.00 54.11 H new ATOM 0 HA ARG A 616 -3.608 -5.099 -7.815 1.00 53.44 H new ATOM 0 HB2 ARG A 616 -4.346 -6.253 -9.661 1.00 74.30 H new ATOM 0 HB3 ARG A 616 -5.876 -6.033 -8.835 1.00 74.30 H new ATOM 0 HG2 ARG A 616 -6.514 -5.326 -10.916 1.00 12.53 H new ATOM 0 HG3 ARG A 616 -5.944 -3.791 -10.293 1.00 12.53 H new ATOM 0 HD2 ARG A 616 -4.686 -3.764 -12.190 1.00 3.34 H new ATOM 0 HD3 ARG A 616 -3.599 -4.775 -11.259 1.00 3.34 H new ATOM 0 HE ARG A 616 -5.566 -6.433 -12.539 1.00 24.31 H new ATOM 0 HH11 ARG A 616 -2.736 -4.435 -13.222 1.00 73.33 H new ATOM 0 HH12 ARG A 616 -2.282 -5.365 -14.654 1.00 73.33 H new ATOM 0 HH21 ARG A 616 -4.975 -7.623 -14.378 1.00 73.32 H new ATOM 0 HH22 ARG A 616 -3.543 -7.162 -15.306 1.00 73.32 H new ATOM 278 N GLN A 617 -4.535 -2.318 -9.263 1.00 14.22 N ATOM 279 CA GLN A 617 -4.051 -1.132 -9.957 1.00 52.25 C ATOM 280 C GLN A 617 -3.189 -0.274 -9.036 1.00 74.22 C ATOM 281 O GLN A 617 -2.225 0.353 -9.476 1.00 72.13 O ATOM 282 CB GLN A 617 -5.227 -0.308 -10.487 1.00 63.21 C ATOM 283 CG GLN A 617 -4.810 0.827 -11.408 1.00 30.41 C ATOM 284 CD GLN A 617 -4.375 0.338 -12.776 1.00 3.43 C ATOM 285 OE1 GLN A 617 -5.172 0.289 -13.712 1.00 70.24 O ATOM 286 NE2 GLN A 617 -3.104 -0.026 -12.898 1.00 41.33 N ATOM 0 H GLN A 617 -5.499 -2.252 -8.937 1.00 14.22 H new ATOM 0 HA GLN A 617 -3.438 -1.460 -10.797 1.00 52.25 H new ATOM 0 HB2 GLN A 617 -5.909 -0.968 -11.023 1.00 63.21 H new ATOM 0 HB3 GLN A 617 -5.780 0.105 -9.643 1.00 63.21 H new ATOM 0 HG2 GLN A 617 -5.642 1.522 -11.522 1.00 30.41 H new ATOM 0 HG3 GLN A 617 -3.992 1.382 -10.948 1.00 30.41 H new ATOM 0 HE21 GLN A 617 -2.478 0.031 -12.095 1.00 41.33 H new ATOM 0 HE22 GLN A 617 -2.754 -0.363 -13.795 1.00 41.33 H new ATOM 295 N LEU A 618 -3.544 -0.251 -7.756 1.00 63.44 N ATOM 296 CA LEU A 618 -2.803 0.530 -6.771 1.00 61.54 C ATOM 297 C LEU A 618 -1.428 -0.079 -6.517 1.00 5.31 C ATOM 298 O LEU A 618 -0.429 0.635 -6.426 1.00 62.13 O ATOM 299 CB LEU A 618 -3.587 0.610 -5.461 1.00 12.15 C ATOM 300 CG LEU A 618 -4.618 1.736 -5.364 1.00 2.20 C ATOM 301 CD1 LEU A 618 -5.165 2.078 -6.741 1.00 20.15 C ATOM 302 CD2 LEU A 618 -5.746 1.347 -4.420 1.00 62.41 C ATOM 0 H LEU A 618 -4.340 -0.764 -7.376 1.00 63.44 H new ATOM 0 HA LEU A 618 -2.667 1.536 -7.168 1.00 61.54 H new ATOM 0 HB2 LEU A 618 -4.100 -0.340 -5.309 1.00 12.15 H new ATOM 0 HB3 LEU A 618 -2.877 0.723 -4.642 1.00 12.15 H new ATOM 0 HG LEU A 618 -4.125 2.621 -4.962 1.00 2.20 H new ATOM 0 HD11 LEU A 618 -5.897 2.881 -6.653 1.00 20.15 H new ATOM 0 HD12 LEU A 618 -4.349 2.401 -7.387 1.00 20.15 H new ATOM 0 HD13 LEU A 618 -5.642 1.198 -7.172 1.00 20.15 H new ATOM 0 HD21 LEU A 618 -6.470 2.160 -4.363 1.00 62.41 H new ATOM 0 HD22 LEU A 618 -6.238 0.448 -4.792 1.00 62.41 H new ATOM 0 HD23 LEU A 618 -5.339 1.154 -3.427 1.00 62.41 H new ATOM 314 N SER A 619 -1.383 -1.402 -6.405 1.00 21.43 N ATOM 315 CA SER A 619 -0.130 -2.108 -6.159 1.00 71.11 C ATOM 316 C SER A 619 0.876 -1.830 -7.272 1.00 40.11 C ATOM 317 O SER A 619 2.049 -1.559 -7.011 1.00 31.44 O ATOM 318 CB SER A 619 -0.381 -3.613 -6.047 1.00 12.21 C ATOM 319 OG SER A 619 -1.463 -4.013 -6.869 1.00 52.51 O ATOM 0 H SER A 619 -2.200 -2.008 -6.481 1.00 21.43 H new ATOM 0 HA SER A 619 0.285 -1.746 -5.218 1.00 71.11 H new ATOM 0 HB2 SER A 619 0.519 -4.157 -6.335 1.00 12.21 H new ATOM 0 HB3 SER A 619 -0.593 -3.873 -5.010 1.00 12.21 H new ATOM 0 HG SER A 619 -1.417 -3.537 -7.725 1.00 52.51 H new ATOM 325 N LEU A 620 0.409 -1.900 -8.513 1.00 43.50 N ATOM 326 CA LEU A 620 1.267 -1.655 -9.668 1.00 23.41 C ATOM 327 C LEU A 620 1.566 -0.167 -9.821 1.00 35.45 C ATOM 328 O LEU A 620 2.725 0.239 -9.899 1.00 64.32 O ATOM 329 CB LEU A 620 0.606 -2.188 -10.940 1.00 42.45 C ATOM 330 CG LEU A 620 1.317 -1.858 -12.254 1.00 22.54 C ATOM 331 CD1 LEU A 620 2.195 -3.020 -12.693 1.00 0.44 C ATOM 332 CD2 LEU A 620 0.304 -1.515 -13.337 1.00 42.41 C ATOM 0 H LEU A 620 -0.558 -2.124 -8.746 1.00 43.50 H new ATOM 0 HA LEU A 620 2.209 -2.180 -9.507 1.00 23.41 H new ATOM 0 HB2 LEU A 620 0.524 -3.272 -10.856 1.00 42.45 H new ATOM 0 HB3 LEU A 620 -0.409 -1.795 -10.990 1.00 42.45 H new ATOM 0 HG LEU A 620 1.954 -0.989 -12.091 1.00 22.54 H new ATOM 0 HD11 LEU A 620 2.692 -2.767 -13.629 1.00 0.44 H new ATOM 0 HD12 LEU A 620 2.944 -3.220 -11.927 1.00 0.44 H new ATOM 0 HD13 LEU A 620 1.579 -3.907 -12.838 1.00 0.44 H new ATOM 0 HD21 LEU A 620 0.827 -1.283 -14.265 1.00 42.41 H new ATOM 0 HD22 LEU A 620 -0.359 -2.365 -13.497 1.00 42.41 H new ATOM 0 HD23 LEU A 620 -0.283 -0.651 -13.026 1.00 42.41 H new ATOM 344 N ASP A 621 0.512 0.640 -9.858 1.00 45.42 N ATOM 345 CA ASP A 621 0.661 2.085 -9.998 1.00 24.10 C ATOM 346 C ASP A 621 1.636 2.633 -8.961 1.00 33.04 C ATOM 347 O ASP A 621 2.672 3.201 -9.308 1.00 13.33 O ATOM 348 CB ASP A 621 -0.696 2.775 -9.856 1.00 12.11 C ATOM 349 CG ASP A 621 -1.580 2.569 -11.069 1.00 53.14 C ATOM 350 OD1 ASP A 621 -1.213 1.752 -11.940 1.00 30.12 O ATOM 351 OD2 ASP A 621 -2.640 3.226 -11.150 1.00 32.54 O ATOM 0 H ASP A 621 -0.454 0.320 -9.793 1.00 45.42 H new ATOM 0 HA ASP A 621 1.061 2.290 -10.991 1.00 24.10 H new ATOM 0 HB2 ASP A 621 -1.204 2.392 -8.971 1.00 12.11 H new ATOM 0 HB3 ASP A 621 -0.543 3.843 -9.699 1.00 12.11 H new ATOM 356 N ILE A 622 1.297 2.460 -7.688 1.00 15.11 N ATOM 357 CA ILE A 622 2.142 2.938 -6.600 1.00 72.42 C ATOM 358 C ILE A 622 3.571 2.428 -6.751 1.00 11.23 C ATOM 359 O ILE A 622 4.529 3.144 -6.461 1.00 63.24 O ATOM 360 CB ILE A 622 1.595 2.500 -5.228 1.00 73.13 C ATOM 361 CG1 ILE A 622 0.237 3.155 -4.964 1.00 10.03 C ATOM 362 CG2 ILE A 622 2.583 2.854 -4.127 1.00 42.10 C ATOM 363 CD1 ILE A 622 -0.548 2.491 -3.854 1.00 64.33 C ATOM 0 H ILE A 622 0.443 1.992 -7.384 1.00 15.11 H new ATOM 0 HA ILE A 622 2.139 4.027 -6.652 1.00 72.42 H new ATOM 0 HB ILE A 622 1.461 1.418 -5.235 1.00 73.13 H new ATOM 0 HG12 ILE A 622 0.392 4.204 -4.712 1.00 10.03 H new ATOM 0 HG13 ILE A 622 -0.353 3.131 -5.880 1.00 10.03 H new ATOM 0 HG21 ILE A 622 2.183 2.538 -3.164 1.00 42.10 H new ATOM 0 HG22 ILE A 622 3.530 2.346 -4.311 1.00 42.10 H new ATOM 0 HG23 ILE A 622 2.746 3.932 -4.117 1.00 42.10 H new ATOM 0 HD11 ILE A 622 -1.499 3.007 -3.722 1.00 64.33 H new ATOM 0 HD12 ILE A 622 -0.734 1.449 -4.113 1.00 64.33 H new ATOM 0 HD13 ILE A 622 0.022 2.538 -2.926 1.00 64.33 H new ATOM 375 N ASN A 623 3.707 1.188 -7.209 1.00 12.21 N ATOM 376 CA ASN A 623 5.020 0.583 -7.399 1.00 60.15 C ATOM 377 C ASN A 623 5.799 1.308 -8.492 1.00 43.24 C ATOM 378 O ASN A 623 7.019 1.453 -8.410 1.00 31.43 O ATOM 379 CB ASN A 623 4.875 -0.898 -7.757 1.00 5.00 C ATOM 380 CG ASN A 623 6.198 -1.530 -8.144 1.00 74.43 C ATOM 381 OD1 ASN A 623 6.322 -2.131 -9.212 1.00 74.23 O ATOM 382 ND2 ASN A 623 7.193 -1.399 -7.276 1.00 32.21 N ATOM 0 H ASN A 623 2.924 0.583 -7.455 1.00 12.21 H new ATOM 0 HA ASN A 623 5.573 0.671 -6.464 1.00 60.15 H new ATOM 0 HB2 ASN A 623 4.453 -1.435 -6.907 1.00 5.00 H new ATOM 0 HB3 ASN A 623 4.170 -1.003 -8.582 1.00 5.00 H new ATOM 0 HD21 ASN A 623 8.106 -1.805 -7.482 1.00 32.21 H new ATOM 0 HD22 ASN A 623 7.045 -0.893 -6.403 1.00 32.21 H new ATOM 389 N LYS A 624 5.086 1.762 -9.517 1.00 73.34 N ATOM 390 CA LYS A 624 5.708 2.474 -10.628 1.00 33.43 C ATOM 391 C LYS A 624 6.105 3.887 -10.213 1.00 4.21 C ATOM 392 O LYS A 624 7.058 4.457 -10.748 1.00 62.20 O ATOM 393 CB LYS A 624 4.753 2.531 -11.823 1.00 4.32 C ATOM 394 CG LYS A 624 5.387 2.082 -13.129 1.00 14.13 C ATOM 395 CD LYS A 624 4.513 1.071 -13.853 1.00 71.01 C ATOM 396 CE LYS A 624 5.075 0.732 -15.226 1.00 14.42 C ATOM 397 NZ LYS A 624 3.997 0.391 -16.196 1.00 1.54 N ATOM 0 H LYS A 624 4.076 1.650 -9.602 1.00 73.34 H new ATOM 0 HA LYS A 624 6.609 1.932 -10.916 1.00 33.43 H new ATOM 0 HB2 LYS A 624 3.886 1.904 -11.615 1.00 4.32 H new ATOM 0 HB3 LYS A 624 4.388 3.552 -11.938 1.00 4.32 H new ATOM 0 HG2 LYS A 624 5.553 2.947 -13.771 1.00 14.13 H new ATOM 0 HG3 LYS A 624 6.364 1.642 -12.928 1.00 14.13 H new ATOM 0 HD2 LYS A 624 4.435 0.162 -13.256 1.00 71.01 H new ATOM 0 HD3 LYS A 624 3.504 1.470 -13.960 1.00 71.01 H new ATOM 0 HE2 LYS A 624 5.649 1.579 -15.603 1.00 14.42 H new ATOM 0 HE3 LYS A 624 5.765 -0.107 -15.139 1.00 14.42 H new ATOM 0 HZ1 LYS A 624 4.419 0.166 -17.119 1.00 1.54 H new ATOM 0 HZ2 LYS A 624 3.465 -0.432 -15.849 1.00 1.54 H new ATOM 0 HZ3 LYS A 624 3.353 1.201 -16.298 1.00 1.54 H new ATOM 411 N LEU A 625 5.372 4.446 -9.258 1.00 2.22 N ATOM 412 CA LEU A 625 5.649 5.794 -8.770 1.00 25.31 C ATOM 413 C LEU A 625 7.058 5.884 -8.191 1.00 62.40 C ATOM 414 O LEU A 625 7.685 4.878 -7.858 1.00 60.40 O ATOM 415 CB LEU A 625 4.623 6.194 -7.709 1.00 4.05 C ATOM 416 CG LEU A 625 3.389 6.939 -8.217 1.00 13.32 C ATOM 417 CD1 LEU A 625 2.624 6.086 -9.216 1.00 52.53 C ATOM 418 CD2 LEU A 625 2.490 7.339 -7.055 1.00 22.24 C ATOM 0 H LEU A 625 4.581 3.988 -8.805 1.00 2.22 H new ATOM 0 HA LEU A 625 5.578 6.481 -9.613 1.00 25.31 H new ATOM 0 HB2 LEU A 625 4.292 5.292 -7.194 1.00 4.05 H new ATOM 0 HB3 LEU A 625 5.121 6.819 -6.968 1.00 4.05 H new ATOM 0 HG LEU A 625 3.719 7.846 -8.723 1.00 13.32 H new ATOM 0 HD11 LEU A 625 1.749 6.633 -9.567 1.00 52.53 H new ATOM 0 HD12 LEU A 625 3.269 5.851 -10.063 1.00 52.53 H new ATOM 0 HD13 LEU A 625 2.305 5.161 -8.736 1.00 52.53 H new ATOM 0 HD21 LEU A 625 1.617 7.868 -7.436 1.00 22.24 H new ATOM 0 HD22 LEU A 625 2.168 6.446 -6.520 1.00 22.24 H new ATOM 0 HD23 LEU A 625 3.041 7.990 -6.376 1.00 22.24 H new ATOM 430 N PRO A 626 7.569 7.118 -8.065 1.00 34.44 N ATOM 431 CA PRO A 626 8.907 7.369 -7.523 1.00 43.34 C ATOM 432 C PRO A 626 8.992 7.075 -6.029 1.00 3.30 C ATOM 433 O PRO A 626 7.973 6.957 -5.350 1.00 44.14 O ATOM 434 CB PRO A 626 9.122 8.861 -7.787 1.00 52.34 C ATOM 435 CG PRO A 626 7.750 9.436 -7.851 1.00 54.22 C ATOM 436 CD PRO A 626 6.878 8.362 -8.441 1.00 51.11 C ATOM 0 HA PRO A 626 9.660 6.728 -7.982 1.00 43.34 H new ATOM 0 HB2 PRO A 626 9.708 9.323 -6.993 1.00 52.34 H new ATOM 0 HB3 PRO A 626 9.663 9.024 -8.719 1.00 52.34 H new ATOM 0 HG2 PRO A 626 7.400 9.722 -6.859 1.00 54.22 H new ATOM 0 HG3 PRO A 626 7.732 10.335 -8.467 1.00 54.22 H new ATOM 0 HD2 PRO A 626 5.867 8.398 -8.036 1.00 51.11 H new ATOM 0 HD3 PRO A 626 6.792 8.463 -9.523 1.00 51.11 H new ATOM 444 N GLY A 627 10.216 6.958 -5.522 1.00 43.54 N ATOM 445 CA GLY A 627 10.412 6.679 -4.112 1.00 60.20 C ATOM 446 C GLY A 627 9.728 7.696 -3.220 1.00 41.13 C ATOM 447 O GLY A 627 9.245 7.358 -2.140 1.00 63.13 O ATOM 0 H GLY A 627 11.075 7.052 -6.063 1.00 43.54 H new ATOM 0 HA2 GLY A 627 10.028 5.684 -3.885 1.00 60.20 H new ATOM 0 HA3 GLY A 627 11.479 6.667 -3.892 1.00 60.20 H new ATOM 451 N GLU A 628 9.690 8.946 -3.671 1.00 71.11 N ATOM 452 CA GLU A 628 9.063 10.016 -2.904 1.00 41.02 C ATOM 453 C GLU A 628 7.559 9.788 -2.782 1.00 12.40 C ATOM 454 O GLU A 628 6.969 10.010 -1.724 1.00 12.21 O ATOM 455 CB GLU A 628 9.334 11.371 -3.561 1.00 35.44 C ATOM 456 CG GLU A 628 8.930 12.556 -2.700 1.00 55.23 C ATOM 457 CD GLU A 628 10.099 13.148 -1.937 1.00 75.41 C ATOM 458 OE1 GLU A 628 10.988 13.744 -2.580 1.00 54.52 O ATOM 459 OE2 GLU A 628 10.124 13.014 -0.695 1.00 63.34 O ATOM 0 H GLU A 628 10.086 9.242 -4.563 1.00 71.11 H new ATOM 0 HA GLU A 628 9.496 10.013 -1.903 1.00 41.02 H new ATOM 0 HB2 GLU A 628 10.396 11.447 -3.793 1.00 35.44 H new ATOM 0 HB3 GLU A 628 8.796 11.420 -4.508 1.00 35.44 H new ATOM 0 HG2 GLU A 628 8.487 13.325 -3.332 1.00 55.23 H new ATOM 0 HG3 GLU A 628 8.162 12.242 -1.994 1.00 55.23 H new ATOM 466 N LYS A 629 6.943 9.344 -3.873 1.00 4.40 N ATOM 467 CA LYS A 629 5.508 9.085 -3.891 1.00 2.22 C ATOM 468 C LYS A 629 5.174 7.823 -3.103 1.00 23.15 C ATOM 469 O LYS A 629 4.212 7.796 -2.335 1.00 34.43 O ATOM 470 CB LYS A 629 5.012 8.947 -5.332 1.00 4.23 C ATOM 471 CG LYS A 629 4.223 10.148 -5.821 1.00 54.12 C ATOM 472 CD LYS A 629 4.488 10.428 -7.290 1.00 43.24 C ATOM 473 CE LYS A 629 3.632 11.577 -7.802 1.00 42.01 C ATOM 474 NZ LYS A 629 4.204 12.190 -9.033 1.00 21.25 N ATOM 0 H LYS A 629 7.416 9.156 -4.757 1.00 4.40 H new ATOM 0 HA LYS A 629 5.005 9.930 -3.420 1.00 2.22 H new ATOM 0 HB2 LYS A 629 5.868 8.793 -5.989 1.00 4.23 H new ATOM 0 HB3 LYS A 629 4.388 8.057 -5.409 1.00 4.23 H new ATOM 0 HG2 LYS A 629 3.158 9.971 -5.670 1.00 54.12 H new ATOM 0 HG3 LYS A 629 4.488 11.024 -5.229 1.00 54.12 H new ATOM 0 HD2 LYS A 629 5.542 10.667 -7.432 1.00 43.24 H new ATOM 0 HD3 LYS A 629 4.283 9.531 -7.875 1.00 43.24 H new ATOM 0 HE2 LYS A 629 2.625 11.215 -8.011 1.00 42.01 H new ATOM 0 HE3 LYS A 629 3.543 12.337 -7.026 1.00 42.01 H new ATOM 0 HZ1 LYS A 629 3.592 12.969 -9.350 1.00 21.25 H new ATOM 0 HZ2 LYS A 629 5.155 12.559 -8.828 1.00 21.25 H new ATOM 0 HZ3 LYS A 629 4.266 11.471 -9.782 1.00 21.25 H new ATOM 488 N LEU A 630 5.974 6.780 -3.296 1.00 51.20 N ATOM 489 CA LEU A 630 5.763 5.515 -2.603 1.00 5.23 C ATOM 490 C LEU A 630 6.023 5.664 -1.107 1.00 2.24 C ATOM 491 O LEU A 630 5.229 5.218 -0.281 1.00 33.11 O ATOM 492 CB LEU A 630 6.675 4.434 -3.185 1.00 23.34 C ATOM 493 CG LEU A 630 6.441 3.011 -2.673 1.00 41.33 C ATOM 494 CD1 LEU A 630 5.971 2.108 -3.803 1.00 21.24 C ATOM 495 CD2 LEU A 630 7.708 2.459 -2.037 1.00 65.31 C ATOM 0 H LEU A 630 6.775 6.786 -3.927 1.00 51.20 H new ATOM 0 HA LEU A 630 4.723 5.220 -2.745 1.00 5.23 H new ATOM 0 HB2 LEU A 630 6.558 4.433 -4.269 1.00 23.34 H new ATOM 0 HB3 LEU A 630 7.709 4.708 -2.977 1.00 23.34 H new ATOM 0 HG LEU A 630 5.661 3.042 -1.913 1.00 41.33 H new ATOM 0 HD11 LEU A 630 5.810 1.100 -3.420 1.00 21.24 H new ATOM 0 HD12 LEU A 630 5.038 2.494 -4.213 1.00 21.24 H new ATOM 0 HD13 LEU A 630 6.728 2.082 -4.587 1.00 21.24 H new ATOM 0 HD21 LEU A 630 7.524 1.446 -1.678 1.00 65.31 H new ATOM 0 HD22 LEU A 630 8.509 2.442 -2.776 1.00 65.31 H new ATOM 0 HD23 LEU A 630 8.001 3.093 -1.200 1.00 65.31 H new ATOM 507 N GLY A 631 7.142 6.297 -0.766 1.00 30.42 N ATOM 508 CA GLY A 631 7.486 6.496 0.630 1.00 43.01 C ATOM 509 C GLY A 631 6.322 7.023 1.445 1.00 43.44 C ATOM 510 O GLY A 631 6.081 6.568 2.562 1.00 73.41 O ATOM 0 H GLY A 631 7.816 6.675 -1.432 1.00 30.42 H new ATOM 0 HA2 GLY A 631 7.825 5.552 1.055 1.00 43.01 H new ATOM 0 HA3 GLY A 631 8.320 7.195 0.699 1.00 43.01 H new ATOM 514 N ARG A 632 5.599 7.988 0.884 1.00 3.13 N ATOM 515 CA ARG A 632 4.455 8.580 1.568 1.00 4.35 C ATOM 516 C ARG A 632 3.369 7.537 1.813 1.00 54.45 C ATOM 517 O ARG A 632 2.837 7.426 2.918 1.00 54.35 O ATOM 518 CB ARG A 632 3.888 9.741 0.748 1.00 24.31 C ATOM 519 CG ARG A 632 4.328 11.108 1.244 1.00 53.40 C ATOM 520 CD ARG A 632 4.355 12.127 0.116 1.00 54.52 C ATOM 521 NE ARG A 632 4.607 13.480 0.606 1.00 72.03 N ATOM 522 CZ ARG A 632 4.813 14.523 -0.190 1.00 15.40 C ATOM 523 NH1 ARG A 632 4.794 14.371 -1.507 1.00 21.41 N ATOM 524 NH2 ARG A 632 5.036 15.723 0.331 1.00 75.24 N ATOM 0 H ARG A 632 5.785 8.376 -0.041 1.00 3.13 H new ATOM 0 HA ARG A 632 4.795 8.958 2.532 1.00 4.35 H new ATOM 0 HB2 ARG A 632 4.195 9.625 -0.291 1.00 24.31 H new ATOM 0 HB3 ARG A 632 2.799 9.690 0.766 1.00 24.31 H new ATOM 0 HG2 ARG A 632 3.650 11.448 2.027 1.00 53.40 H new ATOM 0 HG3 ARG A 632 5.319 11.032 1.691 1.00 53.40 H new ATOM 0 HD2 ARG A 632 5.127 11.852 -0.602 1.00 54.52 H new ATOM 0 HD3 ARG A 632 3.403 12.105 -0.415 1.00 54.52 H new ATOM 0 HE ARG A 632 4.626 13.632 1.614 1.00 72.03 H new ATOM 0 HH11 ARG A 632 4.621 13.451 -1.912 1.00 21.41 H new ATOM 0 HH12 ARG A 632 4.953 15.174 -2.115 1.00 21.41 H new ATOM 0 HH21 ARG A 632 5.049 15.845 1.344 1.00 75.24 H new ATOM 0 HH22 ARG A 632 5.194 16.523 -0.281 1.00 75.24 H new ATOM 538 N VAL A 633 3.043 6.774 0.774 1.00 14.10 N ATOM 539 CA VAL A 633 2.020 5.740 0.875 1.00 1.44 C ATOM 540 C VAL A 633 2.410 4.680 1.899 1.00 41.52 C ATOM 541 O VAL A 633 1.697 4.454 2.876 1.00 13.03 O ATOM 542 CB VAL A 633 1.774 5.059 -0.484 1.00 60.25 C ATOM 543 CG1 VAL A 633 0.789 3.909 -0.335 1.00 50.32 C ATOM 544 CG2 VAL A 633 1.273 6.071 -1.504 1.00 44.33 C ATOM 0 H VAL A 633 3.473 6.853 -0.148 1.00 14.10 H new ATOM 0 HA VAL A 633 1.103 6.233 1.197 1.00 1.44 H new ATOM 0 HB VAL A 633 2.719 4.652 -0.843 1.00 60.25 H new ATOM 0 HG11 VAL A 633 0.628 3.440 -1.306 1.00 50.32 H new ATOM 0 HG12 VAL A 633 1.191 3.173 0.361 1.00 50.32 H new ATOM 0 HG13 VAL A 633 -0.159 4.289 0.046 1.00 50.32 H new ATOM 0 HG21 VAL A 633 1.104 5.573 -2.459 1.00 44.33 H new ATOM 0 HG22 VAL A 633 0.338 6.509 -1.153 1.00 44.33 H new ATOM 0 HG23 VAL A 633 2.017 6.857 -1.632 1.00 44.33 H new ATOM 554 N VAL A 634 3.548 4.033 1.668 1.00 20.03 N ATOM 555 CA VAL A 634 4.035 2.997 2.572 1.00 15.50 C ATOM 556 C VAL A 634 4.043 3.486 4.016 1.00 54.42 C ATOM 557 O VAL A 634 3.893 2.699 4.950 1.00 34.04 O ATOM 558 CB VAL A 634 5.455 2.541 2.189 1.00 71.40 C ATOM 559 CG1 VAL A 634 5.907 1.395 3.081 1.00 10.01 C ATOM 560 CG2 VAL A 634 5.507 2.138 0.723 1.00 72.32 C ATOM 0 H VAL A 634 4.150 4.208 0.863 1.00 20.03 H new ATOM 0 HA VAL A 634 3.352 2.152 2.482 1.00 15.50 H new ATOM 0 HB VAL A 634 6.139 3.377 2.338 1.00 71.40 H new ATOM 0 HG11 VAL A 634 6.913 1.086 2.795 1.00 10.01 H new ATOM 0 HG12 VAL A 634 5.910 1.722 4.121 1.00 10.01 H new ATOM 0 HG13 VAL A 634 5.223 0.554 2.967 1.00 10.01 H new ATOM 0 HG21 VAL A 634 6.518 1.818 0.469 1.00 72.32 H new ATOM 0 HG22 VAL A 634 4.812 1.317 0.546 1.00 72.32 H new ATOM 0 HG23 VAL A 634 5.229 2.989 0.102 1.00 72.32 H new ATOM 570 N HIS A 635 4.218 4.792 4.191 1.00 10.13 N ATOM 571 CA HIS A 635 4.244 5.388 5.523 1.00 73.21 C ATOM 572 C HIS A 635 2.872 5.297 6.186 1.00 24.42 C ATOM 573 O HIS A 635 2.770 5.102 7.398 1.00 4.20 O ATOM 574 CB HIS A 635 4.688 6.849 5.443 1.00 54.23 C ATOM 575 CG HIS A 635 5.094 7.425 6.764 1.00 64.44 C ATOM 576 ND1 HIS A 635 4.307 8.304 7.477 1.00 65.13 N ATOM 577 CD2 HIS A 635 6.215 7.241 7.502 1.00 53.12 C ATOM 578 CE1 HIS A 635 4.926 8.638 8.595 1.00 31.45 C ATOM 579 NE2 HIS A 635 6.084 8.006 8.635 1.00 42.13 N ATOM 0 H HIS A 635 4.344 5.458 3.428 1.00 10.13 H new ATOM 0 HA HIS A 635 4.959 4.831 6.129 1.00 73.21 H new ATOM 0 HB2 HIS A 635 5.525 6.928 4.749 1.00 54.23 H new ATOM 0 HB3 HIS A 635 3.874 7.445 5.031 1.00 54.23 H new ATOM 0 HD2 HIS A 635 7.054 6.611 7.247 1.00 53.12 H new ATOM 0 HE1 HIS A 635 4.549 9.314 9.348 1.00 31.45 H new ATOM 0 HE2 HIS A 635 6.771 8.075 9.386 1.00 42.13 H new ATOM 587 N ILE A 636 1.822 5.436 5.385 1.00 50.32 N ATOM 588 CA ILE A 636 0.458 5.369 5.894 1.00 1.13 C ATOM 589 C ILE A 636 0.110 3.955 6.348 1.00 4.44 C ATOM 590 O ILE A 636 -0.603 3.767 7.334 1.00 54.23 O ATOM 591 CB ILE A 636 -0.563 5.821 4.833 1.00 4.15 C ATOM 592 CG1 ILE A 636 -0.026 7.027 4.059 1.00 61.41 C ATOM 593 CG2 ILE A 636 -1.894 6.154 5.488 1.00 53.43 C ATOM 594 CD1 ILE A 636 -1.079 7.732 3.234 1.00 61.15 C ATOM 0 H ILE A 636 1.890 5.596 4.380 1.00 50.32 H new ATOM 0 HA ILE A 636 0.406 6.046 6.747 1.00 1.13 H new ATOM 0 HB ILE A 636 -0.721 5.003 4.130 1.00 4.15 H new ATOM 0 HG12 ILE A 636 0.408 7.737 4.763 1.00 61.41 H new ATOM 0 HG13 ILE A 636 0.779 6.698 3.402 1.00 61.41 H new ATOM 0 HG21 ILE A 636 -2.605 6.472 4.726 1.00 53.43 H new ATOM 0 HG22 ILE A 636 -2.279 5.271 5.998 1.00 53.43 H new ATOM 0 HG23 ILE A 636 -1.753 6.958 6.210 1.00 53.43 H new ATOM 0 HD11 ILE A 636 -0.628 8.576 2.713 1.00 61.15 H new ATOM 0 HD12 ILE A 636 -1.496 7.037 2.506 1.00 61.15 H new ATOM 0 HD13 ILE A 636 -1.873 8.092 3.888 1.00 61.15 H new ATOM 606 N ILE A 637 0.622 2.964 5.624 1.00 40.51 N ATOM 607 CA ILE A 637 0.367 1.568 5.955 1.00 21.31 C ATOM 608 C ILE A 637 1.135 1.151 7.205 1.00 74.51 C ATOM 609 O ILE A 637 0.549 0.650 8.165 1.00 1.42 O ATOM 610 CB ILE A 637 0.756 0.635 4.793 1.00 53.23 C ATOM 611 CG1 ILE A 637 0.027 1.049 3.512 1.00 2.24 C ATOM 612 CG2 ILE A 637 0.439 -0.810 5.145 1.00 32.12 C ATOM 613 CD1 ILE A 637 0.322 0.150 2.332 1.00 1.42 C ATOM 0 H ILE A 637 1.215 3.103 4.806 1.00 40.51 H new ATOM 0 HA ILE A 637 -0.703 1.477 6.141 1.00 21.31 H new ATOM 0 HB ILE A 637 1.829 0.720 4.622 1.00 53.23 H new ATOM 0 HG12 ILE A 637 -1.047 1.049 3.699 1.00 2.24 H new ATOM 0 HG13 ILE A 637 0.307 2.071 3.258 1.00 2.24 H new ATOM 0 HG21 ILE A 637 0.720 -1.457 4.314 1.00 32.12 H new ATOM 0 HG22 ILE A 637 0.999 -1.099 6.035 1.00 32.12 H new ATOM 0 HG23 ILE A 637 -0.629 -0.911 5.339 1.00 32.12 H new ATOM 0 HD11 ILE A 637 -0.228 0.503 1.459 1.00 1.42 H new ATOM 0 HD12 ILE A 637 1.391 0.168 2.119 1.00 1.42 H new ATOM 0 HD13 ILE A 637 0.016 -0.870 2.566 1.00 1.42 H new ATOM 625 N GLN A 638 2.446 1.361 7.186 1.00 2.41 N ATOM 626 CA GLN A 638 3.293 1.008 8.319 1.00 34.14 C ATOM 627 C GLN A 638 2.889 1.789 9.565 1.00 34.22 C ATOM 628 O GLN A 638 3.240 1.416 10.685 1.00 40.23 O ATOM 629 CB GLN A 638 4.762 1.277 7.989 1.00 62.22 C ATOM 630 CG GLN A 638 5.101 2.755 7.884 1.00 65.43 C ATOM 631 CD GLN A 638 6.589 3.003 7.725 1.00 22.31 C ATOM 632 OE1 GLN A 638 7.255 3.464 8.651 1.00 4.02 O ATOM 633 NE2 GLN A 638 7.119 2.695 6.547 1.00 55.33 N ATOM 0 H GLN A 638 2.946 1.774 6.398 1.00 2.41 H new ATOM 0 HA GLN A 638 3.162 -0.055 8.520 1.00 34.14 H new ATOM 0 HB2 GLN A 638 5.387 0.823 8.758 1.00 62.22 H new ATOM 0 HB3 GLN A 638 5.010 0.788 7.047 1.00 62.22 H new ATOM 0 HG2 GLN A 638 4.572 3.186 7.034 1.00 65.43 H new ATOM 0 HG3 GLN A 638 4.744 3.270 8.776 1.00 65.43 H new ATOM 0 HE21 GLN A 638 6.530 2.315 5.806 1.00 55.33 H new ATOM 0 HE22 GLN A 638 8.115 2.839 6.383 1.00 55.33 H new ATOM 642 N SER A 639 2.150 2.875 9.363 1.00 70.43 N ATOM 643 CA SER A 639 1.701 3.711 10.470 1.00 32.22 C ATOM 644 C SER A 639 0.285 3.336 10.896 1.00 52.44 C ATOM 645 O SER A 639 -0.061 3.407 12.075 1.00 41.41 O ATOM 646 CB SER A 639 1.753 5.188 10.075 1.00 43.23 C ATOM 647 OG SER A 639 1.374 6.020 11.158 1.00 33.30 O ATOM 0 H SER A 639 1.849 3.197 8.443 1.00 70.43 H new ATOM 0 HA SER A 639 2.371 3.544 11.313 1.00 32.22 H new ATOM 0 HB2 SER A 639 2.761 5.445 9.750 1.00 43.23 H new ATOM 0 HB3 SER A 639 1.090 5.364 9.228 1.00 43.23 H new ATOM 0 HG SER A 639 1.417 6.959 10.880 1.00 33.30 H new ATOM 653 N ARG A 640 -0.531 2.936 9.925 1.00 21.31 N ATOM 654 CA ARG A 640 -1.910 2.551 10.197 1.00 32.11 C ATOM 655 C ARG A 640 -1.978 1.134 10.760 1.00 31.04 C ATOM 656 O ARG A 640 -2.847 0.821 11.574 1.00 52.05 O ATOM 657 CB ARG A 640 -2.749 2.645 8.921 1.00 33.02 C ATOM 658 CG ARG A 640 -3.196 4.060 8.589 1.00 64.50 C ATOM 659 CD ARG A 640 -4.359 4.498 9.464 1.00 63.45 C ATOM 660 NE ARG A 640 -5.571 4.736 8.685 1.00 40.42 N ATOM 661 CZ ARG A 640 -6.758 4.981 9.228 1.00 5.30 C ATOM 662 NH1 ARG A 640 -6.892 5.019 10.546 1.00 51.21 N ATOM 663 NH2 ARG A 640 -7.814 5.189 8.452 1.00 44.34 N ATOM 0 H ARG A 640 -0.260 2.870 8.944 1.00 21.31 H new ATOM 0 HA ARG A 640 -2.313 3.239 10.940 1.00 32.11 H new ATOM 0 HB2 ARG A 640 -2.170 2.250 8.086 1.00 33.02 H new ATOM 0 HB3 ARG A 640 -3.629 2.010 9.027 1.00 33.02 H new ATOM 0 HG2 ARG A 640 -2.360 4.747 8.722 1.00 64.50 H new ATOM 0 HG3 ARG A 640 -3.488 4.113 7.540 1.00 64.50 H new ATOM 0 HD2 ARG A 640 -4.555 3.733 10.215 1.00 63.45 H new ATOM 0 HD3 ARG A 640 -4.087 5.408 9.999 1.00 63.45 H new ATOM 0 HE ARG A 640 -5.502 4.713 7.668 1.00 40.42 H new ATOM 0 HH11 ARG A 640 -6.082 4.860 11.146 1.00 51.21 H new ATOM 0 HH12 ARG A 640 -7.805 5.207 10.961 1.00 51.21 H new ATOM 0 HH21 ARG A 640 -7.715 5.161 7.437 1.00 44.34 H new ATOM 0 HH22 ARG A 640 -8.725 5.377 8.870 1.00 44.34 H new ATOM 677 N GLU A 641 -1.057 0.283 10.322 1.00 44.25 N ATOM 678 CA GLU A 641 -1.014 -1.100 10.781 1.00 43.52 C ATOM 679 C GLU A 641 -0.210 -1.219 12.073 1.00 12.42 C ATOM 680 O GLU A 641 0.959 -0.841 12.144 1.00 43.52 O ATOM 681 CB GLU A 641 -0.404 -2.000 9.704 1.00 50.24 C ATOM 682 CG GLU A 641 -0.265 -3.452 10.130 1.00 43.51 C ATOM 683 CD GLU A 641 -0.997 -4.403 9.204 1.00 21.54 C ATOM 684 OE1 GLU A 641 -2.085 -4.036 8.714 1.00 3.32 O ATOM 685 OE2 GLU A 641 -0.482 -5.518 8.970 1.00 4.52 O ATOM 0 H GLU A 641 -0.330 0.527 9.649 1.00 44.25 H new ATOM 0 HA GLU A 641 -2.036 -1.423 10.977 1.00 43.52 H new ATOM 0 HB2 GLU A 641 -1.023 -1.951 8.808 1.00 50.24 H new ATOM 0 HB3 GLU A 641 0.579 -1.614 9.434 1.00 50.24 H new ATOM 0 HG2 GLU A 641 0.791 -3.719 10.158 1.00 43.51 H new ATOM 0 HG3 GLU A 641 -0.650 -3.568 11.143 1.00 43.51 H new ATOM 797 N PRO A 649 12.608 -0.229 10.120 1.00 1.43 N ATOM 798 CA PRO A 649 11.626 0.584 9.396 1.00 24.02 C ATOM 799 C PRO A 649 11.822 0.520 7.886 1.00 64.15 C ATOM 800 O PRO A 649 11.033 1.078 7.123 1.00 2.52 O ATOM 801 CB PRO A 649 11.890 2.001 9.911 1.00 74.43 C ATOM 802 CG PRO A 649 13.313 1.986 10.349 1.00 12.04 C ATOM 803 CD PRO A 649 13.574 0.598 10.865 1.00 71.22 C ATOM 0 HA PRO A 649 10.606 0.238 9.565 1.00 24.02 H new ATOM 0 HB2 PRO A 649 11.724 2.743 9.130 1.00 74.43 H new ATOM 0 HB3 PRO A 649 11.224 2.253 10.737 1.00 74.43 H new ATOM 0 HG2 PRO A 649 13.979 2.225 9.520 1.00 12.04 H new ATOM 0 HG3 PRO A 649 13.490 2.730 11.125 1.00 12.04 H new ATOM 0 HD2 PRO A 649 14.601 0.285 10.676 1.00 71.22 H new ATOM 0 HD3 PRO A 649 13.414 0.532 11.941 1.00 71.22 H new ATOM 811 N ASP A 650 12.879 -0.165 7.459 1.00 11.52 N ATOM 812 CA ASP A 650 13.177 -0.302 6.039 1.00 42.43 C ATOM 813 C ASP A 650 12.486 -1.530 5.455 1.00 51.03 C ATOM 814 O ASP A 650 12.911 -2.065 4.431 1.00 25.45 O ATOM 815 CB ASP A 650 14.688 -0.400 5.821 1.00 71.21 C ATOM 816 CG ASP A 650 15.479 0.188 6.973 1.00 61.41 C ATOM 817 OD1 ASP A 650 15.179 1.332 7.376 1.00 72.00 O ATOM 818 OD2 ASP A 650 16.397 -0.495 7.473 1.00 71.11 O ATOM 0 H ASP A 650 13.542 -0.633 8.076 1.00 11.52 H new ATOM 0 HA ASP A 650 12.800 0.583 5.526 1.00 42.43 H new ATOM 0 HB2 ASP A 650 14.966 -1.446 5.690 1.00 71.21 H new ATOM 0 HB3 ASP A 650 14.954 0.119 4.900 1.00 71.21 H new ATOM 823 N GLU A 651 11.418 -1.971 6.113 1.00 22.21 N ATOM 824 CA GLU A 651 10.670 -3.137 5.659 1.00 40.33 C ATOM 825 C GLU A 651 9.180 -2.973 5.944 1.00 15.32 C ATOM 826 O GLU A 651 8.788 -2.569 7.040 1.00 42.43 O ATOM 827 CB GLU A 651 11.194 -4.404 6.339 1.00 15.13 C ATOM 828 CG GLU A 651 10.316 -5.624 6.114 1.00 42.42 C ATOM 829 CD GLU A 651 11.004 -6.916 6.504 1.00 72.51 C ATOM 830 OE1 GLU A 651 11.887 -7.371 5.746 1.00 22.35 O ATOM 831 OE2 GLU A 651 10.659 -7.475 7.566 1.00 31.20 O ATOM 0 H GLU A 651 11.052 -1.539 6.961 1.00 22.21 H new ATOM 0 HA GLU A 651 10.808 -3.228 4.582 1.00 40.33 H new ATOM 0 HB2 GLU A 651 12.197 -4.616 5.970 1.00 15.13 H new ATOM 0 HB3 GLU A 651 11.281 -4.222 7.410 1.00 15.13 H new ATOM 0 HG2 GLU A 651 9.397 -5.517 6.691 1.00 42.42 H new ATOM 0 HG3 GLU A 651 10.029 -5.672 5.064 1.00 42.42 H new ATOM 838 N ILE A 652 8.355 -3.287 4.952 1.00 53.53 N ATOM 839 CA ILE A 652 6.908 -3.175 5.097 1.00 45.45 C ATOM 840 C ILE A 652 6.195 -4.324 4.393 1.00 42.20 C ATOM 841 O ILE A 652 6.557 -4.704 3.281 1.00 11.40 O ATOM 842 CB ILE A 652 6.389 -1.840 4.531 1.00 15.42 C ATOM 843 CG1 ILE A 652 5.379 -1.211 5.493 1.00 32.45 C ATOM 844 CG2 ILE A 652 5.761 -2.054 3.161 1.00 12.33 C ATOM 845 CD1 ILE A 652 3.967 -1.721 5.305 1.00 50.52 C ATOM 0 H ILE A 652 8.663 -3.621 4.039 1.00 53.53 H new ATOM 0 HA ILE A 652 6.693 -3.217 6.165 1.00 45.45 H new ATOM 0 HB ILE A 652 7.231 -1.157 4.421 1.00 15.42 H new ATOM 0 HG12 ILE A 652 5.694 -1.408 6.518 1.00 32.45 H new ATOM 0 HG13 ILE A 652 5.387 -0.129 5.359 1.00 32.45 H new ATOM 0 HG21 ILE A 652 5.399 -1.102 2.774 1.00 12.33 H new ATOM 0 HG22 ILE A 652 6.506 -2.463 2.479 1.00 12.33 H new ATOM 0 HG23 ILE A 652 4.927 -2.751 3.248 1.00 12.33 H new ATOM 0 HD11 ILE A 652 3.305 -1.232 6.020 1.00 50.52 H new ATOM 0 HD12 ILE A 652 3.632 -1.500 4.291 1.00 50.52 H new ATOM 0 HD13 ILE A 652 3.945 -2.799 5.468 1.00 50.52 H new ATOM 857 N GLU A 653 5.177 -4.873 5.051 1.00 2.42 N ATOM 858 CA GLU A 653 4.413 -5.978 4.487 1.00 14.14 C ATOM 859 C GLU A 653 2.965 -5.566 4.236 1.00 73.31 C ATOM 860 O GLU A 653 2.136 -5.583 5.148 1.00 61.33 O ATOM 861 CB GLU A 653 4.454 -7.187 5.425 1.00 10.33 C ATOM 862 CG GLU A 653 3.835 -8.441 4.830 1.00 14.45 C ATOM 863 CD GLU A 653 4.378 -9.712 5.455 1.00 51.22 C ATOM 864 OE1 GLU A 653 4.715 -9.686 6.657 1.00 14.22 O ATOM 865 OE2 GLU A 653 4.465 -10.732 4.740 1.00 4.13 O ATOM 0 H GLU A 653 4.864 -4.570 5.973 1.00 2.42 H new ATOM 0 HA GLU A 653 4.867 -6.250 3.534 1.00 14.14 H new ATOM 0 HB2 GLU A 653 5.490 -7.395 5.691 1.00 10.33 H new ATOM 0 HB3 GLU A 653 3.932 -6.937 6.349 1.00 10.33 H new ATOM 0 HG2 GLU A 653 2.754 -8.407 4.965 1.00 14.45 H new ATOM 0 HG3 GLU A 653 4.022 -8.460 3.756 1.00 14.45 H new ATOM 872 N ILE A 654 2.669 -5.195 2.996 1.00 55.54 N ATOM 873 CA ILE A 654 1.322 -4.779 2.624 1.00 54.54 C ATOM 874 C ILE A 654 0.501 -5.960 2.118 1.00 62.12 C ATOM 875 O ILE A 654 0.749 -6.482 1.031 1.00 4.02 O ATOM 876 CB ILE A 654 1.349 -3.686 1.540 1.00 52.53 C ATOM 877 CG1 ILE A 654 2.443 -2.661 1.846 1.00 44.14 C ATOM 878 CG2 ILE A 654 -0.007 -3.005 1.438 1.00 34.01 C ATOM 879 CD1 ILE A 654 2.578 -1.587 0.789 1.00 43.45 C ATOM 0 H ILE A 654 3.343 -5.174 2.231 1.00 55.54 H new ATOM 0 HA ILE A 654 0.858 -4.376 3.524 1.00 54.54 H new ATOM 0 HB ILE A 654 1.572 -4.153 0.581 1.00 52.53 H new ATOM 0 HG12 ILE A 654 2.230 -2.190 2.806 1.00 44.14 H new ATOM 0 HG13 ILE A 654 3.396 -3.179 1.950 1.00 44.14 H new ATOM 0 HG21 ILE A 654 0.030 -2.235 0.667 1.00 34.01 H new ATOM 0 HG22 ILE A 654 -0.766 -3.743 1.178 1.00 34.01 H new ATOM 0 HG23 ILE A 654 -0.258 -2.548 2.395 1.00 34.01 H new ATOM 0 HD11 ILE A 654 3.372 -0.896 1.072 1.00 43.45 H new ATOM 0 HD12 ILE A 654 2.822 -2.047 -0.168 1.00 43.45 H new ATOM 0 HD13 ILE A 654 1.638 -1.043 0.701 1.00 43.45 H new ATOM 891 N ASP A 655 -0.479 -6.376 2.912 1.00 21.14 N ATOM 892 CA ASP A 655 -1.340 -7.494 2.544 1.00 32.51 C ATOM 893 C ASP A 655 -2.811 -7.106 2.654 1.00 72.11 C ATOM 894 O ASP A 655 -3.396 -7.148 3.736 1.00 3.14 O ATOM 895 CB ASP A 655 -1.051 -8.703 3.436 1.00 4.34 C ATOM 896 CG ASP A 655 -1.758 -9.956 2.959 1.00 4.12 C ATOM 897 OD1 ASP A 655 -2.509 -9.871 1.966 1.00 34.13 O ATOM 898 OD2 ASP A 655 -1.561 -11.022 3.581 1.00 52.31 O ATOM 0 H ASP A 655 -0.697 -5.956 3.815 1.00 21.14 H new ATOM 0 HA ASP A 655 -1.129 -7.758 1.508 1.00 32.51 H new ATOM 0 HB2 ASP A 655 0.024 -8.883 3.462 1.00 4.34 H new ATOM 0 HB3 ASP A 655 -1.362 -8.480 4.457 1.00 4.34 H new ATOM 903 N PHE A 656 -3.404 -6.729 1.526 1.00 3.41 N ATOM 904 CA PHE A 656 -4.807 -6.332 1.495 1.00 1.11 C ATOM 905 C PHE A 656 -5.705 -7.470 1.969 1.00 71.41 C ATOM 906 O PHE A 656 -6.853 -7.249 2.353 1.00 24.22 O ATOM 907 CB PHE A 656 -5.207 -5.906 0.080 1.00 32.31 C ATOM 908 CG PHE A 656 -4.371 -4.786 -0.468 1.00 13.33 C ATOM 909 CD1 PHE A 656 -3.825 -3.833 0.378 1.00 61.02 C ATOM 910 CD2 PHE A 656 -4.132 -4.683 -1.828 1.00 50.25 C ATOM 911 CE1 PHE A 656 -3.055 -2.800 -0.123 1.00 32.11 C ATOM 912 CE2 PHE A 656 -3.363 -3.653 -2.336 1.00 24.32 C ATOM 913 CZ PHE A 656 -2.825 -2.709 -1.482 1.00 23.24 C ATOM 0 H PHE A 656 -2.935 -6.690 0.621 1.00 3.41 H new ATOM 0 HA PHE A 656 -4.935 -5.487 2.171 1.00 1.11 H new ATOM 0 HB2 PHE A 656 -5.129 -6.766 -0.585 1.00 32.31 H new ATOM 0 HB3 PHE A 656 -6.253 -5.600 0.084 1.00 32.31 H new ATOM 0 HD1 PHE A 656 -4.003 -3.898 1.441 1.00 61.02 H new ATOM 0 HD2 PHE A 656 -4.552 -5.417 -2.500 1.00 50.25 H new ATOM 0 HE1 PHE A 656 -2.634 -2.065 0.547 1.00 32.11 H new ATOM 0 HE2 PHE A 656 -3.183 -3.586 -3.399 1.00 24.32 H new ATOM 0 HZ PHE A 656 -2.226 -1.902 -1.876 1.00 23.24 H new ATOM 923 N GLU A 657 -5.173 -8.688 1.938 1.00 71.04 N ATOM 924 CA GLU A 657 -5.926 -9.861 2.364 1.00 74.30 C ATOM 925 C GLU A 657 -6.308 -9.759 3.838 1.00 51.42 C ATOM 926 O GLU A 657 -7.331 -10.294 4.266 1.00 24.31 O ATOM 927 CB GLU A 657 -5.111 -11.134 2.125 1.00 62.12 C ATOM 928 CG GLU A 657 -5.901 -12.413 2.341 1.00 71.23 C ATOM 929 CD GLU A 657 -7.265 -12.376 1.680 1.00 52.44 C ATOM 930 OE1 GLU A 657 -7.374 -11.802 0.575 1.00 32.42 O ATOM 931 OE2 GLU A 657 -8.224 -12.920 2.267 1.00 70.04 O ATOM 0 H GLU A 657 -4.224 -8.888 1.622 1.00 71.04 H new ATOM 0 HA GLU A 657 -6.840 -9.907 1.772 1.00 74.30 H new ATOM 0 HB2 GLU A 657 -4.726 -11.123 1.105 1.00 62.12 H new ATOM 0 HB3 GLU A 657 -4.248 -11.133 2.791 1.00 62.12 H new ATOM 0 HG2 GLU A 657 -5.334 -13.257 1.948 1.00 71.23 H new ATOM 0 HG3 GLU A 657 -6.024 -12.583 3.411 1.00 71.23 H new ATOM 938 N THR A 658 -5.478 -9.066 4.611 1.00 44.23 N ATOM 939 CA THR A 658 -5.725 -8.893 6.037 1.00 52.42 C ATOM 940 C THR A 658 -5.895 -7.420 6.390 1.00 44.21 C ATOM 941 O THR A 658 -6.558 -7.078 7.371 1.00 24.44 O ATOM 942 CB THR A 658 -4.580 -9.484 6.881 1.00 13.13 C ATOM 943 OG1 THR A 658 -4.792 -9.190 8.266 1.00 21.53 O ATOM 944 CG2 THR A 658 -3.237 -8.924 6.438 1.00 5.44 C ATOM 0 H THR A 658 -4.628 -8.615 4.273 1.00 44.23 H new ATOM 0 HA THR A 658 -6.647 -9.427 6.266 1.00 52.42 H new ATOM 0 HB THR A 658 -4.570 -10.564 6.736 1.00 13.13 H new ATOM 0 HG1 THR A 658 -4.061 -9.570 8.797 1.00 21.53 H new ATOM 0 HG21 THR A 658 -2.444 -9.356 7.048 1.00 5.44 H new ATOM 0 HG22 THR A 658 -3.066 -9.174 5.391 1.00 5.44 H new ATOM 0 HG23 THR A 658 -3.237 -7.841 6.557 1.00 5.44 H new ATOM 952 N LEU A 659 -5.293 -6.550 5.587 1.00 73.44 N ATOM 953 CA LEU A 659 -5.379 -5.112 5.814 1.00 5.45 C ATOM 954 C LEU A 659 -6.832 -4.653 5.865 1.00 72.43 C ATOM 955 O LEU A 659 -7.725 -5.326 5.347 1.00 50.41 O ATOM 956 CB LEU A 659 -4.631 -4.355 4.715 1.00 21.41 C ATOM 957 CG LEU A 659 -3.427 -3.529 5.167 1.00 20.24 C ATOM 958 CD1 LEU A 659 -2.133 -4.292 4.924 1.00 12.50 C ATOM 959 CD2 LEU A 659 -3.401 -2.188 4.451 1.00 45.55 C ATOM 0 H LEU A 659 -4.740 -6.816 4.772 1.00 73.44 H new ATOM 0 HA LEU A 659 -4.915 -4.894 6.776 1.00 5.45 H new ATOM 0 HB2 LEU A 659 -4.292 -5.076 3.971 1.00 21.41 H new ATOM 0 HB3 LEU A 659 -5.336 -3.690 4.216 1.00 21.41 H new ATOM 0 HG LEU A 659 -3.519 -3.344 6.237 1.00 20.24 H new ATOM 0 HD11 LEU A 659 -1.287 -3.688 5.252 1.00 12.50 H new ATOM 0 HD12 LEU A 659 -2.151 -5.226 5.485 1.00 12.50 H new ATOM 0 HD13 LEU A 659 -2.033 -4.509 3.861 1.00 12.50 H new ATOM 0 HD21 LEU A 659 -2.537 -1.614 4.785 1.00 45.55 H new ATOM 0 HD22 LEU A 659 -3.334 -2.351 3.375 1.00 45.55 H new ATOM 0 HD23 LEU A 659 -4.313 -1.636 4.678 1.00 45.55 H new ATOM 971 N LYS A 660 -7.064 -3.504 6.489 1.00 22.14 N ATOM 972 CA LYS A 660 -8.409 -2.953 6.605 1.00 41.35 C ATOM 973 C LYS A 660 -8.743 -2.079 5.399 1.00 35.22 C ATOM 974 O LYS A 660 -7.864 -1.627 4.666 1.00 62.41 O ATOM 975 CB LYS A 660 -8.538 -2.135 7.892 1.00 54.34 C ATOM 976 CG LYS A 660 -9.127 -2.919 9.052 1.00 1.55 C ATOM 977 CD LYS A 660 -8.576 -2.440 10.385 1.00 41.41 C ATOM 978 CE LYS A 660 -7.747 -3.519 11.065 1.00 53.02 C ATOM 979 NZ LYS A 660 -7.328 -3.116 12.435 1.00 13.30 N ATOM 0 H LYS A 660 -6.337 -2.935 6.923 1.00 22.14 H new ATOM 0 HA LYS A 660 -9.114 -3.783 6.638 1.00 41.35 H new ATOM 0 HB2 LYS A 660 -7.554 -1.764 8.177 1.00 54.34 H new ATOM 0 HB3 LYS A 660 -9.163 -1.264 7.698 1.00 54.34 H new ATOM 0 HG2 LYS A 660 -10.212 -2.817 9.048 1.00 1.55 H new ATOM 0 HG3 LYS A 660 -8.906 -3.979 8.926 1.00 1.55 H new ATOM 0 HD2 LYS A 660 -7.963 -1.553 10.229 1.00 41.41 H new ATOM 0 HD3 LYS A 660 -9.399 -2.148 11.036 1.00 41.41 H new ATOM 0 HE2 LYS A 660 -8.325 -4.441 11.119 1.00 53.02 H new ATOM 0 HE3 LYS A 660 -6.864 -3.732 10.463 1.00 53.02 H new ATOM 0 HZ1 LYS A 660 -6.765 -3.878 12.864 1.00 13.30 H new ATOM 0 HZ2 LYS A 660 -6.755 -2.250 12.382 1.00 13.30 H new ATOM 0 HZ3 LYS A 660 -8.171 -2.938 13.018 1.00 13.30 H new ATOM 993 N PRO A 661 -10.045 -1.833 5.189 1.00 0.52 N ATOM 994 CA PRO A 661 -10.525 -1.010 4.074 1.00 34.34 C ATOM 995 C PRO A 661 -10.174 0.464 4.249 1.00 34.30 C ATOM 996 O PRO A 661 -9.954 1.179 3.272 1.00 21.35 O ATOM 997 CB PRO A 661 -12.043 -1.207 4.116 1.00 50.10 C ATOM 998 CG PRO A 661 -12.339 -1.563 5.532 1.00 31.53 C ATOM 999 CD PRO A 661 -11.148 -2.339 6.022 1.00 31.05 C ATOM 0 HA PRO A 661 -10.070 -1.300 3.127 1.00 34.34 H new ATOM 0 HB2 PRO A 661 -12.568 -0.300 3.818 1.00 50.10 H new ATOM 0 HB3 PRO A 661 -12.359 -1.997 3.435 1.00 50.10 H new ATOM 0 HG2 PRO A 661 -12.497 -0.668 6.134 1.00 31.53 H new ATOM 0 HG3 PRO A 661 -13.249 -2.159 5.602 1.00 31.53 H new ATOM 0 HD2 PRO A 661 -10.963 -2.165 7.082 1.00 31.05 H new ATOM 0 HD3 PRO A 661 -11.288 -3.412 5.895 1.00 31.05 H new ATOM 1007 N SER A 662 -10.125 0.911 5.500 1.00 5.33 N ATOM 1008 CA SER A 662 -9.803 2.301 5.802 1.00 13.12 C ATOM 1009 C SER A 662 -8.417 2.665 5.279 1.00 13.10 C ATOM 1010 O SER A 662 -8.257 3.621 4.519 1.00 54.30 O ATOM 1011 CB SER A 662 -9.873 2.547 7.310 1.00 24.24 C ATOM 1012 OG SER A 662 -10.903 3.464 7.632 1.00 51.13 O ATOM 0 H SER A 662 -10.304 0.331 6.320 1.00 5.33 H new ATOM 0 HA SER A 662 -10.537 2.934 5.303 1.00 13.12 H new ATOM 0 HB2 SER A 662 -10.048 1.604 7.827 1.00 24.24 H new ATOM 0 HB3 SER A 662 -8.916 2.932 7.663 1.00 24.24 H new ATOM 0 HG SER A 662 -11.726 3.209 7.165 1.00 51.13 H new ATOM 1018 N THR A 663 -7.415 1.895 5.691 1.00 33.55 N ATOM 1019 CA THR A 663 -6.042 2.134 5.267 1.00 50.41 C ATOM 1020 C THR A 663 -5.889 1.938 3.763 1.00 74.43 C ATOM 1021 O THR A 663 -5.160 2.678 3.100 1.00 32.11 O ATOM 1022 CB THR A 663 -5.057 1.203 5.998 1.00 33.41 C ATOM 1023 OG1 THR A 663 -5.174 1.381 7.414 1.00 65.54 O ATOM 1024 CG2 THR A 663 -3.626 1.480 5.563 1.00 22.11 C ATOM 0 H THR A 663 -7.529 1.099 6.319 1.00 33.55 H new ATOM 0 HA THR A 663 -5.809 3.168 5.521 1.00 50.41 H new ATOM 0 HB THR A 663 -5.305 0.173 5.740 1.00 33.41 H new ATOM 0 HG1 THR A 663 -4.806 0.597 7.874 1.00 65.54 H new ATOM 0 HG21 THR A 663 -2.949 0.810 6.093 1.00 22.11 H new ATOM 0 HG22 THR A 663 -3.534 1.315 4.490 1.00 22.11 H new ATOM 0 HG23 THR A 663 -3.369 2.514 5.795 1.00 22.11 H new ATOM 1032 N LEU A 664 -6.581 0.937 3.228 1.00 21.13 N ATOM 1033 CA LEU A 664 -6.522 0.643 1.801 1.00 41.23 C ATOM 1034 C LEU A 664 -6.827 1.890 0.976 1.00 1.42 C ATOM 1035 O LEU A 664 -5.993 2.348 0.195 1.00 24.00 O ATOM 1036 CB LEU A 664 -7.511 -0.469 1.448 1.00 5.20 C ATOM 1037 CG LEU A 664 -6.898 -1.828 1.109 1.00 71.21 C ATOM 1038 CD1 LEU A 664 -5.919 -2.258 2.191 1.00 1.23 C ATOM 1039 CD2 LEU A 664 -7.988 -2.874 0.929 1.00 71.52 C ATOM 0 H LEU A 664 -7.189 0.316 3.762 1.00 21.13 H new ATOM 0 HA LEU A 664 -5.511 0.311 1.565 1.00 41.23 H new ATOM 0 HB2 LEU A 664 -8.195 -0.600 2.287 1.00 5.20 H new ATOM 0 HB3 LEU A 664 -8.109 -0.140 0.598 1.00 5.20 H new ATOM 0 HG LEU A 664 -6.352 -1.734 0.170 1.00 71.21 H new ATOM 0 HD11 LEU A 664 -5.493 -3.227 1.932 1.00 1.23 H new ATOM 0 HD12 LEU A 664 -5.120 -1.521 2.273 1.00 1.23 H new ATOM 0 HD13 LEU A 664 -6.441 -2.334 3.145 1.00 1.23 H new ATOM 0 HD21 LEU A 664 -7.534 -3.835 0.688 1.00 71.52 H new ATOM 0 HD22 LEU A 664 -8.561 -2.965 1.852 1.00 71.52 H new ATOM 0 HD23 LEU A 664 -8.651 -2.573 0.118 1.00 71.52 H new ATOM 1051 N ARG A 665 -8.026 2.434 1.155 1.00 2.33 N ATOM 1052 CA ARG A 665 -8.439 3.629 0.429 1.00 21.31 C ATOM 1053 C ARG A 665 -7.505 4.797 0.726 1.00 41.13 C ATOM 1054 O ARG A 665 -7.235 5.625 -0.145 1.00 31.15 O ATOM 1055 CB ARG A 665 -9.876 4.004 0.798 1.00 63.40 C ATOM 1056 CG ARG A 665 -10.654 4.632 -0.347 1.00 4.44 C ATOM 1057 CD ARG A 665 -12.139 4.715 -0.031 1.00 12.11 C ATOM 1058 NE ARG A 665 -12.631 6.089 -0.067 1.00 2.42 N ATOM 1059 CZ ARG A 665 -13.871 6.435 0.262 1.00 42.43 C ATOM 1060 NH1 ARG A 665 -14.739 5.512 0.648 1.00 14.34 N ATOM 1061 NH2 ARG A 665 -14.243 7.708 0.203 1.00 12.04 N ATOM 0 H ARG A 665 -8.729 2.066 1.797 1.00 2.33 H new ATOM 0 HA ARG A 665 -8.390 3.410 -0.638 1.00 21.31 H new ATOM 0 HB2 ARG A 665 -10.401 3.110 1.136 1.00 63.40 H new ATOM 0 HB3 ARG A 665 -9.857 4.699 1.638 1.00 63.40 H new ATOM 0 HG2 ARG A 665 -10.267 5.631 -0.547 1.00 4.44 H new ATOM 0 HG3 ARG A 665 -10.506 4.046 -1.254 1.00 4.44 H new ATOM 0 HD2 ARG A 665 -12.696 4.112 -0.748 1.00 12.11 H new ATOM 0 HD3 ARG A 665 -12.324 4.290 0.955 1.00 12.11 H new ATOM 0 HE ARG A 665 -11.987 6.824 -0.361 1.00 2.42 H new ATOM 0 HH11 ARG A 665 -14.456 4.533 0.693 1.00 14.34 H new ATOM 0 HH12 ARG A 665 -15.690 5.780 0.900 1.00 14.34 H new ATOM 0 HH21 ARG A 665 -13.577 8.421 -0.095 1.00 12.04 H new ATOM 0 HH22 ARG A 665 -15.195 7.973 0.456 1.00 12.04 H new ATOM 1075 N GLU A 666 -7.014 4.858 1.960 1.00 31.22 N ATOM 1076 CA GLU A 666 -6.111 5.925 2.371 1.00 12.33 C ATOM 1077 C GLU A 666 -4.970 6.090 1.370 1.00 34.34 C ATOM 1078 O GLU A 666 -4.511 7.203 1.113 1.00 43.22 O ATOM 1079 CB GLU A 666 -5.545 5.637 3.763 1.00 3.34 C ATOM 1080 CG GLU A 666 -5.750 6.774 4.751 1.00 1.13 C ATOM 1081 CD GLU A 666 -5.281 8.110 4.208 1.00 64.31 C ATOM 1082 OE1 GLU A 666 -4.057 8.277 4.021 1.00 51.24 O ATOM 1083 OE2 GLU A 666 -6.136 8.988 3.972 1.00 52.24 O ATOM 0 H GLU A 666 -7.227 4.180 2.692 1.00 31.22 H new ATOM 0 HA GLU A 666 -6.680 6.854 2.403 1.00 12.33 H new ATOM 0 HB2 GLU A 666 -6.014 4.735 4.157 1.00 3.34 H new ATOM 0 HB3 GLU A 666 -4.478 5.430 3.677 1.00 3.34 H new ATOM 0 HG2 GLU A 666 -6.807 6.841 5.008 1.00 1.13 H new ATOM 0 HG3 GLU A 666 -5.212 6.551 5.672 1.00 1.13 H new ATOM 1090 N LEU A 667 -4.519 4.973 0.810 1.00 41.53 N ATOM 1091 CA LEU A 667 -3.431 4.991 -0.163 1.00 15.32 C ATOM 1092 C LEU A 667 -3.930 5.457 -1.528 1.00 4.12 C ATOM 1093 O LEU A 667 -3.276 6.255 -2.198 1.00 15.31 O ATOM 1094 CB LEU A 667 -2.805 3.601 -0.283 1.00 51.22 C ATOM 1095 CG LEU A 667 -2.826 2.744 0.983 1.00 4.55 C ATOM 1096 CD1 LEU A 667 -2.101 1.427 0.748 1.00 13.23 C ATOM 1097 CD2 LEU A 667 -2.200 3.498 2.148 1.00 41.43 C ATOM 0 H LEU A 667 -4.889 4.044 1.012 1.00 41.53 H new ATOM 0 HA LEU A 667 -2.675 5.694 0.186 1.00 15.32 H new ATOM 0 HB2 LEU A 667 -3.323 3.058 -1.074 1.00 51.22 H new ATOM 0 HB3 LEU A 667 -1.769 3.717 -0.602 1.00 51.22 H new ATOM 0 HG LEU A 667 -3.864 2.525 1.233 1.00 4.55 H new ATOM 0 HD11 LEU A 667 -2.126 0.830 1.660 1.00 13.23 H new ATOM 0 HD12 LEU A 667 -2.592 0.880 -0.057 1.00 13.23 H new ATOM 0 HD13 LEU A 667 -1.065 1.626 0.473 1.00 13.23 H new ATOM 0 HD21 LEU A 667 -2.224 2.873 3.041 1.00 41.43 H new ATOM 0 HD22 LEU A 667 -1.167 3.747 1.907 1.00 41.43 H new ATOM 0 HD23 LEU A 667 -2.761 4.414 2.332 1.00 41.43 H new ATOM 1109 N GLU A 668 -5.092 4.953 -1.931 1.00 65.44 N ATOM 1110 CA GLU A 668 -5.677 5.318 -3.216 1.00 14.45 C ATOM 1111 C GLU A 668 -5.967 6.815 -3.275 1.00 44.32 C ATOM 1112 O GLU A 668 -5.921 7.426 -4.343 1.00 74.43 O ATOM 1113 CB GLU A 668 -6.966 4.529 -3.457 1.00 12.53 C ATOM 1114 CG GLU A 668 -7.251 4.264 -4.925 1.00 13.32 C ATOM 1115 CD GLU A 668 -8.450 5.041 -5.437 1.00 23.12 C ATOM 1116 OE1 GLU A 668 -8.259 6.178 -5.914 1.00 12.44 O ATOM 1117 OE2 GLU A 668 -9.577 4.509 -5.359 1.00 31.05 O ATOM 0 H GLU A 668 -5.646 4.292 -1.387 1.00 65.44 H new ATOM 0 HA GLU A 668 -4.957 5.073 -3.997 1.00 14.45 H new ATOM 0 HB2 GLU A 668 -6.903 3.577 -2.930 1.00 12.53 H new ATOM 0 HB3 GLU A 668 -7.804 5.077 -3.026 1.00 12.53 H new ATOM 0 HG2 GLU A 668 -6.373 4.528 -5.515 1.00 13.32 H new ATOM 0 HG3 GLU A 668 -7.425 3.198 -5.071 1.00 13.32 H new ATOM 1124 N ARG A 669 -6.263 7.402 -2.119 1.00 44.15 N ATOM 1125 CA ARG A 669 -6.561 8.826 -2.039 1.00 41.25 C ATOM 1126 C ARG A 669 -5.288 9.657 -2.185 1.00 33.33 C ATOM 1127 O ARG A 669 -5.305 10.739 -2.771 1.00 32.11 O ATOM 1128 CB ARG A 669 -7.247 9.152 -0.712 1.00 2.05 C ATOM 1129 CG ARG A 669 -8.649 9.717 -0.873 1.00 3.40 C ATOM 1130 CD ARG A 669 -9.045 10.571 0.322 1.00 71.01 C ATOM 1131 NE ARG A 669 -10.412 10.296 0.761 1.00 43.43 N ATOM 1132 CZ ARG A 669 -11.004 10.937 1.761 1.00 53.35 C ATOM 1133 NH1 ARG A 669 -10.355 11.885 2.423 1.00 1.51 N ATOM 1134 NH2 ARG A 669 -12.250 10.631 2.101 1.00 14.31 N ATOM 0 H ARG A 669 -6.303 6.912 -1.225 1.00 44.15 H new ATOM 0 HA ARG A 669 -7.234 9.077 -2.859 1.00 41.25 H new ATOM 0 HB2 ARG A 669 -7.297 8.247 -0.107 1.00 2.05 H new ATOM 0 HB3 ARG A 669 -6.636 9.869 -0.164 1.00 2.05 H new ATOM 0 HG2 ARG A 669 -8.699 10.316 -1.782 1.00 3.40 H new ATOM 0 HG3 ARG A 669 -9.361 8.900 -0.990 1.00 3.40 H new ATOM 0 HD2 ARG A 669 -8.355 10.385 1.145 1.00 71.01 H new ATOM 0 HD3 ARG A 669 -8.953 11.625 0.061 1.00 71.01 H new ATOM 0 HE ARG A 669 -10.939 9.572 0.272 1.00 43.43 H new ATOM 0 HH11 ARG A 669 -9.398 12.124 2.164 1.00 1.51 H new ATOM 0 HH12 ARG A 669 -10.813 12.376 3.191 1.00 1.51 H new ATOM 0 HH21 ARG A 669 -12.753 9.903 1.594 1.00 14.31 H new ATOM 0 HH22 ARG A 669 -12.705 11.124 2.870 1.00 14.31 H new ATOM 1148 N TYR A 670 -4.189 9.143 -1.646 1.00 61.21 N ATOM 1149 CA TYR A 670 -2.909 9.838 -1.713 1.00 0.24 C ATOM 1150 C TYR A 670 -2.258 9.654 -3.080 1.00 74.42 C ATOM 1151 O TYR A 670 -1.784 10.612 -3.690 1.00 12.51 O ATOM 1152 CB TYR A 670 -1.970 9.328 -0.617 1.00 10.40 C ATOM 1153 CG TYR A 670 -1.859 10.262 0.567 1.00 14.11 C ATOM 1154 CD1 TYR A 670 -2.841 10.289 1.551 1.00 45.44 C ATOM 1155 CD2 TYR A 670 -0.771 11.116 0.703 1.00 33.24 C ATOM 1156 CE1 TYR A 670 -2.743 11.141 2.634 1.00 62.03 C ATOM 1157 CE2 TYR A 670 -0.665 11.970 1.784 1.00 3.41 C ATOM 1158 CZ TYR A 670 -1.653 11.979 2.746 1.00 13.51 C ATOM 1159 OH TYR A 670 -1.551 12.829 3.824 1.00 33.42 O ATOM 0 H TYR A 670 -4.158 8.248 -1.158 1.00 61.21 H new ATOM 0 HA TYR A 670 -3.095 10.901 -1.560 1.00 0.24 H new ATOM 0 HB2 TYR A 670 -2.323 8.356 -0.271 1.00 10.40 H new ATOM 0 HB3 TYR A 670 -0.978 9.174 -1.042 1.00 10.40 H new ATOM 0 HD1 TYR A 670 -3.695 9.633 1.467 1.00 45.44 H new ATOM 0 HD2 TYR A 670 0.004 11.112 -0.049 1.00 33.24 H new ATOM 0 HE1 TYR A 670 -3.515 11.151 3.389 1.00 62.03 H new ATOM 0 HE2 TYR A 670 0.187 12.627 1.875 1.00 3.41 H new ATOM 0 HH TYR A 670 -0.724 13.350 3.753 1.00 33.42 H new ATOM 1169 N VAL A 671 -2.242 8.413 -3.558 1.00 73.04 N ATOM 1170 CA VAL A 671 -1.653 8.101 -4.855 1.00 54.31 C ATOM 1171 C VAL A 671 -2.307 8.915 -5.966 1.00 31.14 C ATOM 1172 O VAL A 671 -1.661 9.275 -6.950 1.00 45.03 O ATOM 1173 CB VAL A 671 -1.786 6.603 -5.185 1.00 33.20 C ATOM 1174 CG1 VAL A 671 -3.230 6.254 -5.514 1.00 62.42 C ATOM 1175 CG2 VAL A 671 -0.864 6.227 -6.335 1.00 21.32 C ATOM 0 H VAL A 671 -2.630 7.608 -3.066 1.00 73.04 H new ATOM 0 HA VAL A 671 -0.596 8.360 -4.793 1.00 54.31 H new ATOM 0 HB VAL A 671 -1.489 6.028 -4.308 1.00 33.20 H new ATOM 0 HG11 VAL A 671 -3.304 5.191 -5.745 1.00 62.42 H new ATOM 0 HG12 VAL A 671 -3.864 6.485 -4.658 1.00 62.42 H new ATOM 0 HG13 VAL A 671 -3.558 6.836 -6.376 1.00 62.42 H new ATOM 0 HG21 VAL A 671 -0.971 5.165 -6.555 1.00 21.32 H new ATOM 0 HG22 VAL A 671 -1.128 6.809 -7.218 1.00 21.32 H new ATOM 0 HG23 VAL A 671 0.169 6.438 -6.057 1.00 21.32 H new ATOM 1185 N THR A 672 -3.594 9.204 -5.801 1.00 75.33 N ATOM 1186 CA THR A 672 -4.337 9.975 -6.791 1.00 24.11 C ATOM 1187 C THR A 672 -3.939 11.445 -6.752 1.00 41.51 C ATOM 1188 O THR A 672 -3.769 12.080 -7.793 1.00 54.43 O ATOM 1189 CB THR A 672 -5.857 9.861 -6.567 1.00 23.22 C ATOM 1190 OG1 THR A 672 -6.268 8.494 -6.683 1.00 22.14 O ATOM 1191 CG2 THR A 672 -6.617 10.711 -7.573 1.00 72.03 C ATOM 0 H THR A 672 -4.144 8.916 -4.991 1.00 75.33 H new ATOM 0 HA THR A 672 -4.089 9.559 -7.767 1.00 24.11 H new ATOM 0 HB THR A 672 -6.083 10.224 -5.564 1.00 23.22 H new ATOM 0 HG1 THR A 672 -6.214 8.061 -5.806 1.00 22.14 H new ATOM 0 HG21 THR A 672 -7.688 10.615 -7.395 1.00 72.03 H new ATOM 0 HG22 THR A 672 -6.323 11.755 -7.463 1.00 72.03 H new ATOM 0 HG23 THR A 672 -6.385 10.374 -8.583 1.00 72.03 H new ATOM 1199 N SER A 673 -3.790 11.983 -5.545 1.00 61.13 N ATOM 1200 CA SER A 673 -3.413 13.381 -5.372 1.00 55.51 C ATOM 1201 C SER A 673 -2.013 13.639 -5.921 1.00 32.11 C ATOM 1202 O SER A 673 -1.734 14.711 -6.459 1.00 65.03 O ATOM 1203 CB SER A 673 -3.473 13.768 -3.893 1.00 70.54 C ATOM 1204 OG SER A 673 -3.807 15.136 -3.736 1.00 73.05 O ATOM 0 H SER A 673 -3.925 11.472 -4.673 1.00 61.13 H new ATOM 0 HA SER A 673 -4.121 13.994 -5.930 1.00 55.51 H new ATOM 0 HB2 SER A 673 -4.211 13.150 -3.382 1.00 70.54 H new ATOM 0 HB3 SER A 673 -2.510 13.569 -3.423 1.00 70.54 H new ATOM 0 HG SER A 673 -3.840 15.357 -2.782 1.00 73.05 H new ATOM 1309 N THR B 389 16.317 3.933 -4.272 1.00 41.42 N ATOM 1310 CA THR B 389 14.891 4.144 -4.059 1.00 72.00 C ATOM 1311 C THR B 389 14.253 2.938 -3.379 1.00 32.12 C ATOM 1312 O THR B 389 14.945 2.004 -2.974 1.00 34.40 O ATOM 1313 CB THR B 389 14.159 4.417 -5.387 1.00 5.12 C ATOM 1314 OG1 THR B 389 15.095 4.417 -6.471 1.00 72.41 O ATOM 1315 CG2 THR B 389 13.432 5.752 -5.339 1.00 73.53 C ATOM 0 HA THR B 389 14.793 5.016 -3.413 1.00 72.00 H new ATOM 0 HB THR B 389 13.425 3.626 -5.541 1.00 5.12 H new ATOM 0 HG1 THR B 389 16.007 4.377 -6.115 1.00 72.41 H new ATOM 0 HG21 THR B 389 12.923 5.923 -6.287 1.00 73.53 H new ATOM 0 HG22 THR B 389 12.700 5.739 -4.531 1.00 73.53 H new ATOM 0 HG23 THR B 389 14.151 6.552 -5.164 1.00 73.53 H new ATOM 1323 N TRP B 390 12.930 2.965 -3.258 1.00 4.43 N ATOM 1324 CA TRP B 390 12.199 1.873 -2.626 1.00 21.25 C ATOM 1325 C TRP B 390 11.892 0.769 -3.633 1.00 2.45 C ATOM 1326 O TRP B 390 11.915 0.996 -4.843 1.00 23.02 O ATOM 1327 CB TRP B 390 10.900 2.392 -2.008 1.00 33.11 C ATOM 1328 CG TRP B 390 11.050 2.819 -0.579 1.00 71.33 C ATOM 1329 CD1 TRP B 390 11.770 3.880 -0.113 1.00 2.31 C ATOM 1330 CD2 TRP B 390 10.467 2.191 0.568 1.00 2.10 C ATOM 1331 NE1 TRP B 390 11.671 3.951 1.256 1.00 4.23 N ATOM 1332 CE2 TRP B 390 10.876 2.927 1.698 1.00 42.34 C ATOM 1333 CE3 TRP B 390 9.638 1.081 0.752 1.00 42.34 C ATOM 1334 CZ2 TRP B 390 10.485 2.586 2.990 1.00 4.21 C ATOM 1335 CZ3 TRP B 390 9.251 0.744 2.035 1.00 4.31 C ATOM 1336 CH2 TRP B 390 9.674 1.495 3.140 1.00 31.42 C ATOM 0 H TRP B 390 12.343 3.730 -3.589 1.00 4.43 H new ATOM 0 HA TRP B 390 12.827 1.456 -1.838 1.00 21.25 H new ATOM 0 HB2 TRP B 390 10.538 3.236 -2.596 1.00 33.11 H new ATOM 0 HB3 TRP B 390 10.141 1.613 -2.069 1.00 33.11 H new ATOM 0 HD1 TRP B 390 12.335 4.564 -0.729 1.00 2.31 H new ATOM 0 HE1 TRP B 390 12.117 4.652 1.847 1.00 4.23 H new ATOM 0 HE3 TRP B 390 9.306 0.497 -0.094 1.00 42.34 H new ATOM 0 HZ2 TRP B 390 10.811 3.162 3.843 1.00 4.21 H new ATOM 0 HZ3 TRP B 390 8.612 -0.113 2.189 1.00 4.31 H new ATOM 0 HH2 TRP B 390 9.353 1.206 4.130 1.00 31.42 H new ATOM 1347 N ARG B 391 11.605 -0.425 -3.126 1.00 43.12 N ATOM 1348 CA ARG B 391 11.295 -1.564 -3.981 1.00 61.15 C ATOM 1349 C ARG B 391 10.148 -2.385 -3.401 1.00 25.45 C ATOM 1350 O ARG B 391 9.829 -2.274 -2.217 1.00 12.22 O ATOM 1351 CB ARG B 391 12.531 -2.448 -4.159 1.00 23.35 C ATOM 1352 CG ARG B 391 12.979 -3.132 -2.877 1.00 4.41 C ATOM 1353 CD ARG B 391 14.387 -3.693 -3.008 1.00 34.33 C ATOM 1354 NE ARG B 391 14.517 -4.578 -4.162 1.00 45.42 N ATOM 1355 CZ ARG B 391 15.662 -5.147 -4.525 1.00 12.21 C ATOM 1356 NH1 ARG B 391 16.768 -4.925 -3.827 1.00 73.11 N ATOM 1357 NH2 ARG B 391 15.701 -5.940 -5.588 1.00 65.14 N ATOM 0 H ARG B 391 11.581 -0.629 -2.127 1.00 43.12 H new ATOM 0 HA ARG B 391 10.988 -1.181 -4.954 1.00 61.15 H new ATOM 0 HB2 ARG B 391 12.319 -3.208 -4.911 1.00 23.35 H new ATOM 0 HB3 ARG B 391 13.350 -1.840 -4.542 1.00 23.35 H new ATOM 0 HG2 ARG B 391 12.945 -2.420 -2.052 1.00 4.41 H new ATOM 0 HG3 ARG B 391 12.287 -3.937 -2.632 1.00 4.41 H new ATOM 0 HD2 ARG B 391 15.098 -2.872 -3.099 1.00 34.33 H new ATOM 0 HD3 ARG B 391 14.646 -4.239 -2.101 1.00 34.33 H new ATOM 0 HE ARG B 391 13.685 -4.770 -4.719 1.00 45.42 H new ATOM 0 HH11 ARG B 391 16.741 -4.316 -3.009 1.00 73.11 H new ATOM 0 HH12 ARG B 391 17.645 -5.363 -4.108 1.00 73.11 H new ATOM 0 HH21 ARG B 391 14.852 -6.113 -6.127 1.00 65.14 H new ATOM 0 HH22 ARG B 391 16.580 -6.377 -5.867 1.00 65.14 H new ATOM 1371 N VAL B 392 9.532 -3.210 -4.241 1.00 11.14 N ATOM 1372 CA VAL B 392 8.421 -4.051 -3.811 1.00 15.32 C ATOM 1373 C VAL B 392 8.580 -5.476 -4.325 1.00 71.25 C ATOM 1374 O VAL B 392 9.309 -5.722 -5.285 1.00 73.53 O ATOM 1375 CB VAL B 392 7.071 -3.488 -4.296 1.00 3.05 C ATOM 1376 CG1 VAL B 392 6.735 -4.025 -5.678 1.00 41.15 C ATOM 1377 CG2 VAL B 392 5.968 -3.822 -3.303 1.00 20.01 C ATOM 0 H VAL B 392 9.784 -3.314 -5.224 1.00 11.14 H new ATOM 0 HA VAL B 392 8.432 -4.059 -2.721 1.00 15.32 H new ATOM 0 HB VAL B 392 7.152 -2.403 -4.364 1.00 3.05 H new ATOM 0 HG11 VAL B 392 5.778 -3.617 -6.004 1.00 41.15 H new ATOM 0 HG12 VAL B 392 7.514 -3.731 -6.382 1.00 41.15 H new ATOM 0 HG13 VAL B 392 6.671 -5.112 -5.640 1.00 41.15 H new ATOM 0 HG21 VAL B 392 5.021 -3.417 -3.661 1.00 20.01 H new ATOM 0 HG22 VAL B 392 5.885 -4.904 -3.202 1.00 20.01 H new ATOM 0 HG23 VAL B 392 6.206 -3.384 -2.334 1.00 20.01 H new ATOM 1387 N GLN B 393 7.891 -6.412 -3.679 1.00 55.04 N ATOM 1388 CA GLN B 393 7.955 -7.815 -4.072 1.00 62.03 C ATOM 1389 C GLN B 393 6.627 -8.517 -3.806 1.00 44.23 C ATOM 1390 O GLN B 393 6.322 -8.877 -2.670 1.00 42.30 O ATOM 1391 CB GLN B 393 9.082 -8.526 -3.319 1.00 71.33 C ATOM 1392 CG GLN B 393 9.039 -8.309 -1.816 1.00 32.11 C ATOM 1393 CD GLN B 393 10.326 -7.720 -1.274 1.00 0.23 C ATOM 1394 OE1 GLN B 393 11.217 -8.445 -0.830 1.00 73.32 O ATOM 1395 NE2 GLN B 393 10.432 -6.397 -1.309 1.00 1.02 N ATOM 0 H GLN B 393 7.283 -6.224 -2.882 1.00 55.04 H new ATOM 0 HA GLN B 393 8.159 -7.858 -5.142 1.00 62.03 H new ATOM 0 HB2 GLN B 393 9.028 -9.595 -3.525 1.00 71.33 H new ATOM 0 HB3 GLN B 393 10.041 -8.176 -3.701 1.00 71.33 H new ATOM 0 HG2 GLN B 393 8.209 -7.645 -1.572 1.00 32.11 H new ATOM 0 HG3 GLN B 393 8.842 -9.260 -1.321 1.00 32.11 H new ATOM 0 HE21 GLN B 393 9.669 -5.834 -1.686 1.00 1.02 H new ATOM 0 HE22 GLN B 393 11.276 -5.944 -0.959 1.00 1.02 H new ATOM 1404 N ARG B 394 5.843 -8.708 -4.862 1.00 43.34 N ATOM 1405 CA ARG B 394 4.547 -9.365 -4.742 1.00 3.33 C ATOM 1406 C ARG B 394 4.712 -10.809 -4.277 1.00 13.33 C ATOM 1407 O ARG B 394 5.776 -11.406 -4.435 1.00 1.44 O ATOM 1408 CB ARG B 394 3.808 -9.331 -6.081 1.00 11.23 C ATOM 1409 CG ARG B 394 3.872 -7.981 -6.778 1.00 21.13 C ATOM 1410 CD ARG B 394 4.755 -8.034 -8.013 1.00 44.42 C ATOM 1411 NE ARG B 394 3.992 -8.339 -9.220 1.00 50.54 N ATOM 1412 CZ ARG B 394 3.274 -7.439 -9.883 1.00 50.23 C ATOM 1413 NH1 ARG B 394 3.223 -6.184 -9.459 1.00 14.31 N ATOM 1414 NH2 ARG B 394 2.606 -7.794 -10.974 1.00 11.14 N ATOM 0 H ARG B 394 6.083 -8.417 -5.810 1.00 43.34 H new ATOM 0 HA ARG B 394 3.961 -8.825 -3.998 1.00 3.33 H new ATOM 0 HB2 ARG B 394 4.230 -10.090 -6.739 1.00 11.23 H new ATOM 0 HB3 ARG B 394 2.764 -9.597 -5.917 1.00 11.23 H new ATOM 0 HG2 ARG B 394 2.867 -7.668 -7.061 1.00 21.13 H new ATOM 0 HG3 ARG B 394 4.256 -7.231 -6.087 1.00 21.13 H new ATOM 0 HD2 ARG B 394 5.262 -7.077 -8.137 1.00 44.42 H new ATOM 0 HD3 ARG B 394 5.529 -8.789 -7.873 1.00 44.42 H new ATOM 0 HE ARG B 394 4.011 -9.296 -9.574 1.00 50.54 H new ATOM 0 HH11 ARG B 394 3.736 -5.907 -8.622 1.00 14.31 H new ATOM 0 HH12 ARG B 394 2.671 -5.495 -9.970 1.00 14.31 H new ATOM 0 HH21 ARG B 394 2.644 -8.758 -11.304 1.00 11.14 H new ATOM 0 HH22 ARG B 394 2.055 -7.102 -11.482 1.00 11.14 H new ATOM 1428 N SER B 395 3.650 -11.363 -3.701 1.00 32.32 N ATOM 1429 CA SER B 395 3.677 -12.736 -3.207 1.00 54.32 C ATOM 1430 C SER B 395 2.478 -13.523 -3.727 1.00 32.14 C ATOM 1431 O SER B 395 1.649 -12.995 -4.467 1.00 1.12 O ATOM 1432 CB SER B 395 3.687 -12.750 -1.678 1.00 44.00 C ATOM 1433 OG SER B 395 4.746 -13.552 -1.183 1.00 14.11 O ATOM 0 H SER B 395 2.760 -10.883 -3.565 1.00 32.32 H new ATOM 0 HA SER B 395 4.588 -13.210 -3.573 1.00 54.32 H new ATOM 0 HB2 SER B 395 3.791 -11.732 -1.302 1.00 44.00 H new ATOM 0 HB3 SER B 395 2.735 -13.130 -1.308 1.00 44.00 H new ATOM 0 HG SER B 395 4.732 -13.544 -0.203 1.00 14.11 H new ATOM 1439 N GLN B 396 2.394 -14.789 -3.331 1.00 74.53 N ATOM 1440 CA GLN B 396 1.296 -15.650 -3.756 1.00 64.34 C ATOM 1441 C GLN B 396 -0.052 -15.027 -3.411 1.00 2.04 C ATOM 1442 O GLN B 396 -1.059 -15.302 -4.059 1.00 72.55 O ATOM 1443 CB GLN B 396 1.417 -17.028 -3.102 1.00 2.12 C ATOM 1444 CG GLN B 396 1.188 -17.009 -1.600 1.00 33.21 C ATOM 1445 CD GLN B 396 1.323 -18.382 -0.972 1.00 34.32 C ATOM 1446 OE1 GLN B 396 0.337 -19.101 -0.804 1.00 24.03 O ATOM 1447 NE2 GLN B 396 2.548 -18.755 -0.621 1.00 52.24 N ATOM 0 H GLN B 396 3.072 -15.241 -2.717 1.00 74.53 H new ATOM 0 HA GLN B 396 1.356 -15.763 -4.839 1.00 64.34 H new ATOM 0 HB2 GLN B 396 0.697 -17.704 -3.563 1.00 2.12 H new ATOM 0 HB3 GLN B 396 2.409 -17.432 -3.305 1.00 2.12 H new ATOM 0 HG2 GLN B 396 1.903 -16.329 -1.136 1.00 33.21 H new ATOM 0 HG3 GLN B 396 0.193 -16.615 -1.393 1.00 33.21 H new ATOM 0 HE21 GLN B 396 3.337 -18.128 -0.778 1.00 52.24 H new ATOM 0 HE22 GLN B 396 2.700 -19.669 -0.194 1.00 52.24 H new ATOM 1456 N ASN B 397 -0.062 -14.184 -2.383 1.00 4.43 N ATOM 1457 CA ASN B 397 -1.286 -13.521 -1.949 1.00 61.12 C ATOM 1458 C ASN B 397 -2.049 -12.954 -3.143 1.00 31.13 C ATOM 1459 O ASN B 397 -1.508 -12.789 -4.236 1.00 74.30 O ATOM 1460 CB ASN B 397 -0.962 -12.401 -0.959 1.00 21.44 C ATOM 1461 CG ASN B 397 -0.963 -12.882 0.480 1.00 61.42 C ATOM 1462 OD1 ASN B 397 -0.083 -13.638 0.894 1.00 70.24 O ATOM 1463 ND2 ASN B 397 -1.954 -12.448 1.248 1.00 13.43 N ATOM 0 H ASN B 397 0.764 -13.944 -1.835 1.00 4.43 H new ATOM 0 HA ASN B 397 -1.915 -14.262 -1.455 1.00 61.12 H new ATOM 0 HB2 ASN B 397 0.015 -11.980 -1.198 1.00 21.44 H new ATOM 0 HB3 ASN B 397 -1.691 -11.598 -1.071 1.00 21.44 H new ATOM 0 HD21 ASN B 397 -2.008 -12.740 2.224 1.00 13.43 H new ATOM 0 HD22 ASN B 397 -2.661 -11.822 0.863 1.00 13.43 H new ATOM 1470 N PRO B 398 -3.337 -12.649 -2.929 1.00 14.01 N ATOM 1471 CA PRO B 398 -4.204 -12.095 -3.975 1.00 5.15 C ATOM 1472 C PRO B 398 -3.824 -10.665 -4.345 1.00 1.35 C ATOM 1473 O PRO B 398 -4.186 -10.171 -5.413 1.00 75.31 O ATOM 1474 CB PRO B 398 -5.595 -12.131 -3.339 1.00 33.12 C ATOM 1475 CG PRO B 398 -5.342 -12.086 -1.871 1.00 15.20 C ATOM 1476 CD PRO B 398 -4.048 -12.819 -1.651 1.00 74.05 C ATOM 0 HA PRO B 398 -4.131 -12.658 -4.905 1.00 5.15 H new ATOM 0 HB2 PRO B 398 -6.200 -11.284 -3.663 1.00 33.12 H new ATOM 0 HB3 PRO B 398 -6.135 -13.035 -3.620 1.00 33.12 H new ATOM 0 HG2 PRO B 398 -5.272 -11.057 -1.518 1.00 15.20 H new ATOM 0 HG3 PRO B 398 -6.156 -12.557 -1.320 1.00 15.20 H new ATOM 0 HD2 PRO B 398 -3.484 -12.398 -0.819 1.00 74.05 H new ATOM 0 HD3 PRO B 398 -4.216 -13.871 -1.422 1.00 74.05 H new ATOM 1484 N LEU B 399 -3.091 -10.004 -3.455 1.00 4.52 N ATOM 1485 CA LEU B 399 -2.661 -8.629 -3.689 1.00 20.22 C ATOM 1486 C LEU B 399 -1.794 -8.127 -2.538 1.00 14.02 C ATOM 1487 O LEU B 399 -2.140 -7.155 -1.865 1.00 65.20 O ATOM 1488 CB LEU B 399 -3.875 -7.716 -3.863 1.00 74.31 C ATOM 1489 CG LEU B 399 -3.736 -6.606 -4.904 1.00 53.55 C ATOM 1490 CD1 LEU B 399 -2.506 -5.758 -4.618 1.00 64.24 C ATOM 1491 CD2 LEU B 399 -3.667 -7.194 -6.306 1.00 44.41 C ATOM 0 H LEU B 399 -2.782 -10.397 -2.566 1.00 4.52 H new ATOM 0 HA LEU B 399 -2.067 -8.611 -4.603 1.00 20.22 H new ATOM 0 HB2 LEU B 399 -4.733 -8.333 -4.131 1.00 74.31 H new ATOM 0 HB3 LEU B 399 -4.101 -7.257 -2.900 1.00 74.31 H new ATOM 0 HG LEU B 399 -4.616 -5.966 -4.844 1.00 53.55 H new ATOM 0 HD11 LEU B 399 -2.423 -4.973 -5.369 1.00 64.24 H new ATOM 0 HD12 LEU B 399 -2.597 -5.307 -3.630 1.00 64.24 H new ATOM 0 HD13 LEU B 399 -1.616 -6.386 -4.650 1.00 64.24 H new ATOM 0 HD21 LEU B 399 -3.568 -6.389 -7.034 1.00 44.41 H new ATOM 0 HD22 LEU B 399 -2.806 -7.858 -6.380 1.00 44.41 H new ATOM 0 HD23 LEU B 399 -4.578 -7.757 -6.510 1.00 44.41 H new ATOM 1503 N LYS B 400 -0.666 -8.794 -2.318 1.00 14.11 N ATOM 1504 CA LYS B 400 0.252 -8.415 -1.252 1.00 2.43 C ATOM 1505 C LYS B 400 1.558 -7.876 -1.825 1.00 4.11 C ATOM 1506 O LYS B 400 2.275 -8.583 -2.534 1.00 55.15 O ATOM 1507 CB LYS B 400 0.537 -9.614 -0.345 1.00 73.31 C ATOM 1508 CG LYS B 400 1.399 -9.276 0.859 1.00 4.11 C ATOM 1509 CD LYS B 400 2.043 -10.518 1.451 1.00 31.34 C ATOM 1510 CE LYS B 400 1.125 -11.194 2.459 1.00 5.51 C ATOM 1511 NZ LYS B 400 1.613 -12.551 2.830 1.00 32.13 N ATOM 0 H LYS B 400 -0.366 -9.601 -2.865 1.00 14.11 H new ATOM 0 HA LYS B 400 -0.219 -7.627 -0.664 1.00 2.43 H new ATOM 0 HB2 LYS B 400 -0.409 -10.029 0.002 1.00 73.31 H new ATOM 0 HB3 LYS B 400 1.031 -10.391 -0.929 1.00 73.31 H new ATOM 0 HG2 LYS B 400 2.174 -8.568 0.565 1.00 4.11 H new ATOM 0 HG3 LYS B 400 0.789 -8.785 1.617 1.00 4.11 H new ATOM 0 HD2 LYS B 400 2.287 -11.219 0.652 1.00 31.34 H new ATOM 0 HD3 LYS B 400 2.981 -10.247 1.936 1.00 31.34 H new ATOM 0 HE2 LYS B 400 1.052 -10.577 3.355 1.00 5.51 H new ATOM 0 HE3 LYS B 400 0.121 -11.271 2.042 1.00 5.51 H new ATOM 0 HZ1 LYS B 400 1.398 -12.736 3.831 1.00 32.13 H new ATOM 0 HZ2 LYS B 400 1.141 -13.264 2.237 1.00 32.13 H new ATOM 0 HZ3 LYS B 400 2.641 -12.603 2.682 1.00 32.13 H new ATOM 1525 N ILE B 401 1.864 -6.621 -1.512 1.00 23.53 N ATOM 1526 CA ILE B 401 3.086 -5.989 -1.994 1.00 63.22 C ATOM 1527 C ILE B 401 3.991 -5.586 -0.834 1.00 41.12 C ATOM 1528 O ILE B 401 3.688 -4.650 -0.095 1.00 33.04 O ATOM 1529 CB ILE B 401 2.778 -4.745 -2.847 1.00 35.42 C ATOM 1530 CG1 ILE B 401 1.366 -4.234 -2.551 1.00 70.42 C ATOM 1531 CG2 ILE B 401 2.932 -5.065 -4.326 1.00 0.21 C ATOM 1532 CD1 ILE B 401 1.128 -2.813 -3.013 1.00 65.42 C ATOM 0 H ILE B 401 1.282 -6.022 -0.927 1.00 23.53 H new ATOM 0 HA ILE B 401 3.599 -6.725 -2.613 1.00 63.22 H new ATOM 0 HB ILE B 401 3.490 -3.961 -2.589 1.00 35.42 H new ATOM 0 HG12 ILE B 401 0.642 -4.890 -3.034 1.00 70.42 H new ATOM 0 HG13 ILE B 401 1.184 -4.294 -1.478 1.00 70.42 H new ATOM 0 HG21 ILE B 401 2.711 -4.175 -4.916 1.00 0.21 H new ATOM 0 HG22 ILE B 401 3.954 -5.387 -4.524 1.00 0.21 H new ATOM 0 HG23 ILE B 401 2.241 -5.863 -4.600 1.00 0.21 H new ATOM 0 HD11 ILE B 401 0.107 -2.518 -2.771 1.00 65.42 H new ATOM 0 HD12 ILE B 401 1.828 -2.145 -2.511 1.00 65.42 H new ATOM 0 HD13 ILE B 401 1.277 -2.751 -4.091 1.00 65.42 H new ATOM 1544 N ARG B 402 5.103 -6.298 -0.683 1.00 54.45 N ATOM 1545 CA ARG B 402 6.053 -6.013 0.385 1.00 31.24 C ATOM 1546 C ARG B 402 7.015 -4.902 -0.024 1.00 65.43 C ATOM 1547 O ARG B 402 7.983 -5.140 -0.749 1.00 10.35 O ATOM 1548 CB ARG B 402 6.838 -7.275 0.748 1.00 51.04 C ATOM 1549 CG ARG B 402 6.215 -8.075 1.880 1.00 73.14 C ATOM 1550 CD ARG B 402 7.063 -8.012 3.140 1.00 10.20 C ATOM 1551 NE ARG B 402 8.343 -8.694 2.974 1.00 65.12 N ATOM 1552 CZ ARG B 402 9.095 -9.104 3.989 1.00 54.12 C ATOM 1553 NH1 ARG B 402 8.696 -8.902 5.237 1.00 74.42 N ATOM 1554 NH2 ARG B 402 10.248 -9.718 3.756 1.00 24.25 N ATOM 0 H ARG B 402 5.368 -7.076 -1.287 1.00 54.45 H new ATOM 0 HA ARG B 402 5.491 -5.679 1.257 1.00 31.24 H new ATOM 0 HB2 ARG B 402 6.916 -7.910 -0.134 1.00 51.04 H new ATOM 0 HB3 ARG B 402 7.853 -6.993 1.029 1.00 51.04 H new ATOM 0 HG2 ARG B 402 5.217 -7.691 2.092 1.00 73.14 H new ATOM 0 HG3 ARG B 402 6.097 -9.114 1.571 1.00 73.14 H new ATOM 0 HD2 ARG B 402 7.240 -6.970 3.406 1.00 10.20 H new ATOM 0 HD3 ARG B 402 6.516 -8.464 3.968 1.00 10.20 H new ATOM 0 HE ARG B 402 8.678 -8.865 2.026 1.00 65.12 H new ATOM 0 HH11 ARG B 402 7.810 -8.431 5.419 1.00 74.42 H new ATOM 0 HH12 ARG B 402 9.275 -9.218 6.015 1.00 74.42 H new ATOM 0 HH21 ARG B 402 10.557 -9.875 2.797 1.00 24.25 H new ATOM 0 HH22 ARG B 402 10.825 -10.033 4.536 1.00 24.25 H new ATOM 1568 N LEU B 403 6.744 -3.689 0.443 1.00 24.01 N ATOM 1569 CA LEU B 403 7.585 -2.540 0.125 1.00 2.12 C ATOM 1570 C LEU B 403 8.792 -2.474 1.056 1.00 31.12 C ATOM 1571 O LEU B 403 8.697 -2.810 2.237 1.00 34.35 O ATOM 1572 CB LEU B 403 6.777 -1.246 0.228 1.00 55.14 C ATOM 1573 CG LEU B 403 6.299 -0.646 -1.096 1.00 21.43 C ATOM 1574 CD1 LEU B 403 7.407 -0.698 -2.136 1.00 22.50 C ATOM 1575 CD2 LEU B 403 5.061 -1.376 -1.596 1.00 11.02 C ATOM 0 H LEU B 403 5.948 -3.475 1.044 1.00 24.01 H new ATOM 0 HA LEU B 403 7.943 -2.657 -0.898 1.00 2.12 H new ATOM 0 HB2 LEU B 403 5.905 -1.434 0.854 1.00 55.14 H new ATOM 0 HB3 LEU B 403 7.385 -0.502 0.743 1.00 55.14 H new ATOM 0 HG LEU B 403 6.037 0.398 -0.926 1.00 21.43 H new ATOM 0 HD11 LEU B 403 7.049 -0.267 -3.071 1.00 22.50 H new ATOM 0 HD12 LEU B 403 8.267 -0.130 -1.780 1.00 22.50 H new ATOM 0 HD13 LEU B 403 7.701 -1.734 -2.303 1.00 22.50 H new ATOM 0 HD21 LEU B 403 4.735 -0.936 -2.538 1.00 11.02 H new ATOM 0 HD22 LEU B 403 5.297 -2.429 -1.749 1.00 11.02 H new ATOM 0 HD23 LEU B 403 4.263 -1.287 -0.859 1.00 11.02 H new ATOM 1587 N THR B 404 9.926 -2.038 0.518 1.00 13.33 N ATOM 1588 CA THR B 404 11.150 -1.926 1.300 1.00 32.15 C ATOM 1589 C THR B 404 12.058 -0.832 0.750 1.00 55.01 C ATOM 1590 O THR B 404 12.132 -0.626 -0.462 1.00 23.13 O ATOM 1591 CB THR B 404 11.926 -3.257 1.322 1.00 12.41 C ATOM 1592 OG1 THR B 404 12.438 -3.547 0.017 1.00 2.41 O ATOM 1593 CG2 THR B 404 11.032 -4.397 1.786 1.00 71.21 C ATOM 0 H THR B 404 10.022 -1.756 -0.458 1.00 13.33 H new ATOM 0 HA THR B 404 10.852 -1.669 2.317 1.00 32.15 H new ATOM 0 HB THR B 404 12.755 -3.157 2.023 1.00 12.41 H new ATOM 0 HG1 THR B 404 12.931 -4.393 0.040 1.00 2.41 H new ATOM 0 HG21 THR B 404 11.602 -5.326 1.793 1.00 71.21 H new ATOM 0 HG22 THR B 404 10.667 -4.187 2.791 1.00 71.21 H new ATOM 0 HG23 THR B 404 10.186 -4.496 1.106 1.00 71.21 H new ATOM 1601 N ARG B 405 12.745 -0.132 1.648 1.00 55.12 N ATOM 1602 CA ARG B 405 13.646 0.942 1.250 1.00 13.43 C ATOM 1603 C ARG B 405 14.582 0.483 0.136 1.00 23.22 C ATOM 1604 O ARG B 405 15.650 -0.071 0.399 1.00 41.21 O ATOM 1605 CB ARG B 405 14.463 1.421 2.452 1.00 72.21 C ATOM 1606 CG ARG B 405 13.709 2.382 3.357 1.00 20.41 C ATOM 1607 CD ARG B 405 14.563 2.825 4.534 1.00 15.04 C ATOM 1608 NE ARG B 405 15.973 2.943 4.174 1.00 42.01 N ATOM 1609 CZ ARG B 405 16.453 3.900 3.388 1.00 21.33 C ATOM 1610 NH1 ARG B 405 15.641 4.817 2.884 1.00 40.55 N ATOM 1611 NH2 ARG B 405 17.749 3.940 3.106 1.00 51.14 N ATOM 0 H ARG B 405 12.694 -0.290 2.654 1.00 55.12 H new ATOM 0 HA ARG B 405 13.042 1.769 0.875 1.00 13.43 H new ATOM 0 HB2 ARG B 405 14.776 0.555 3.036 1.00 72.21 H new ATOM 0 HB3 ARG B 405 15.370 1.909 2.093 1.00 72.21 H new ATOM 0 HG2 ARG B 405 13.397 3.255 2.783 1.00 20.41 H new ATOM 0 HG3 ARG B 405 12.802 1.902 3.724 1.00 20.41 H new ATOM 0 HD2 ARG B 405 14.202 3.785 4.903 1.00 15.04 H new ATOM 0 HD3 ARG B 405 14.456 2.109 5.349 1.00 15.04 H new ATOM 0 HE ARG B 405 16.625 2.253 4.546 1.00 42.01 H new ATOM 0 HH11 ARG B 405 14.644 4.789 3.099 1.00 40.55 H new ATOM 0 HH12 ARG B 405 16.012 5.551 2.281 1.00 40.55 H new ATOM 0 HH21 ARG B 405 18.377 3.236 3.493 1.00 51.14 H new ATOM 0 HH22 ARG B 405 18.117 4.675 2.502 1.00 51.14 H new