USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 878 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 ASN : amide:sc= -0.692 K(o=-0.69,f=-0.08) USER MOD Set 1.2: A 109 LYS NZ :NH3+ -113:sc=-0.000473 (180deg=-0.0128) USER MOD Set 2.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 78 SER OG : rot -148:sc= 0.0441 USER MOD Single : A 13 SER OG : rot 25:sc= 0.0976 USER MOD Single : A 16 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.65) USER MOD Single : A 17 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.231 K(o=0.23,f=-1.5) USER MOD Single : A 44 SER OG : rot -80:sc= 0.616 USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= -0.711! (180deg=-4.08!) USER MOD Single : A 52 CYS SG : rot 63:sc= -1.32 USER MOD Single : A 62 THR OG1 : rot -140:sc= -0.481 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc=-0.00224 (180deg=-0.11) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -114:sc= -1.4! USER MOD Single : A 79 ASN : amide:sc= 1.8 K(o=1.8,f=-4.7!) USER MOD Single : A 87 CYS SG : rot 85:sc= -1.76! USER MOD Single : A 90 SER OG : rot 160:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.633 K(o=-0.63,f=-7.6!) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.56) USER MOD Single : A 105 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.085) USER MOD Single : A 108 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.73) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 73:sc= 0.531 USER MOD Single : A 116 THR OG1 : rot 72:sc= 0.266 USER MOD Single : A 118 ASN : amide:sc= 0.757 K(o=0.76,f=-0.022) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot -85:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 3.319 6.315 -13.277 1.00 41.03 N ATOM 196 CA SER A 13 2.218 5.940 -12.378 1.00 23.51 C ATOM 197 C SER A 13 2.615 6.096 -10.903 1.00 60.22 C ATOM 198 O SER A 13 1.826 6.557 -10.080 1.00 34.32 O ATOM 199 CB SER A 13 1.792 4.488 -12.639 1.00 53.34 C ATOM 200 OG SER A 13 1.454 4.284 -14.004 1.00 54.42 O ATOM 0 HA SER A 13 1.385 6.612 -12.582 1.00 23.51 H new ATOM 0 HB2 SER A 13 2.601 3.814 -12.358 1.00 53.34 H new ATOM 0 HB3 SER A 13 0.937 4.239 -12.010 1.00 53.34 H new ATOM 0 HG SER A 13 1.921 4.943 -14.559 1.00 54.42 H new ATOM 206 N ALA A 14 3.848 5.713 -10.578 1.00 72.31 N ATOM 207 CA ALA A 14 4.357 5.813 -9.205 1.00 75.15 C ATOM 208 C ALA A 14 4.344 7.262 -8.678 1.00 70.41 C ATOM 209 O ALA A 14 4.038 7.500 -7.509 1.00 52.02 O ATOM 210 CB ALA A 14 5.766 5.238 -9.128 1.00 30.55 C ATOM 0 H ALA A 14 4.517 5.329 -11.246 1.00 72.31 H new ATOM 0 HA ALA A 14 3.689 5.233 -8.568 1.00 75.15 H new ATOM 0 HB1 ALA A 14 6.136 5.316 -8.106 1.00 30.55 H new ATOM 0 HB2 ALA A 14 5.748 4.190 -9.428 1.00 30.55 H new ATOM 0 HB3 ALA A 14 6.423 5.795 -9.795 1.00 30.55 H new ATOM 216 N GLU A 15 4.653 8.221 -9.551 1.00 54.15 N ATOM 217 CA GLU A 15 4.768 9.631 -9.149 1.00 22.14 C ATOM 218 C GLU A 15 3.431 10.183 -8.620 1.00 31.34 C ATOM 219 O GLU A 15 3.376 10.772 -7.536 1.00 33.12 O ATOM 220 CB GLU A 15 5.272 10.482 -10.327 1.00 22.24 C ATOM 221 CG GLU A 15 6.595 9.985 -10.912 1.00 65.14 C ATOM 222 CD GLU A 15 7.194 10.929 -11.947 1.00 5.40 C ATOM 223 OE1 GLU A 15 6.547 11.170 -12.987 1.00 43.31 O ATOM 224 OE2 GLU A 15 8.322 11.425 -11.729 1.00 24.15 O ATOM 0 H GLU A 15 4.829 8.052 -10.541 1.00 54.15 H new ATOM 0 HA GLU A 15 5.491 9.686 -8.335 1.00 22.14 H new ATOM 0 HB2 GLU A 15 4.515 10.488 -11.112 1.00 22.24 H new ATOM 0 HB3 GLU A 15 5.394 11.513 -9.995 1.00 22.24 H new ATOM 0 HG2 GLU A 15 7.311 9.844 -10.102 1.00 65.14 H new ATOM 0 HG3 GLU A 15 6.437 9.009 -11.371 1.00 65.14 H new ATOM 231 N GLN A 16 2.352 9.981 -9.375 1.00 12.04 N ATOM 232 CA GLN A 16 1.026 10.448 -8.949 1.00 24.23 C ATOM 233 C GLN A 16 0.484 9.607 -7.775 1.00 33.40 C ATOM 234 O GLN A 16 -0.280 10.104 -6.945 1.00 40.43 O ATOM 235 CB GLN A 16 0.034 10.446 -10.126 1.00 34.13 C ATOM 236 CG GLN A 16 -0.230 9.076 -10.743 1.00 10.03 C ATOM 237 CD GLN A 16 -1.242 9.138 -11.880 1.00 54.33 C ATOM 238 OE1 GLN A 16 -2.131 9.987 -11.894 1.00 12.44 O ATOM 239 NE2 GLN A 16 -1.122 8.245 -12.843 1.00 13.22 N ATOM 0 H GLN A 16 2.365 9.503 -10.276 1.00 12.04 H new ATOM 0 HA GLN A 16 1.137 11.475 -8.600 1.00 24.23 H new ATOM 0 HB2 GLN A 16 -0.913 10.863 -9.784 1.00 34.13 H new ATOM 0 HB3 GLN A 16 0.413 11.111 -10.902 1.00 34.13 H new ATOM 0 HG2 GLN A 16 0.707 8.662 -11.116 1.00 10.03 H new ATOM 0 HG3 GLN A 16 -0.595 8.397 -9.972 1.00 10.03 H new ATOM 0 HE21 GLN A 16 -0.375 7.552 -12.806 1.00 13.22 H new ATOM 0 HE22 GLN A 16 -1.777 8.247 -13.625 1.00 13.22 H new ATOM 248 N THR A 17 0.897 8.338 -7.701 1.00 3.40 N ATOM 249 CA THR A 17 0.516 7.459 -6.580 1.00 42.44 C ATOM 250 C THR A 17 1.032 8.012 -5.241 1.00 23.34 C ATOM 251 O THR A 17 0.356 7.912 -4.215 1.00 71.45 O ATOM 252 CB THR A 17 1.042 6.011 -6.778 1.00 10.45 C ATOM 253 OG1 THR A 17 0.480 5.445 -7.971 1.00 63.12 O ATOM 254 CG2 THR A 17 0.698 5.118 -5.587 1.00 71.41 C ATOM 0 H THR A 17 1.493 7.893 -8.399 1.00 3.40 H new ATOM 0 HA THR A 17 -0.573 7.432 -6.560 1.00 42.44 H new ATOM 0 HB THR A 17 2.127 6.064 -6.864 1.00 10.45 H new ATOM 0 HG1 THR A 17 0.965 5.782 -8.753 1.00 63.12 H new ATOM 0 HG21 THR A 17 1.082 4.113 -5.763 1.00 71.41 H new ATOM 0 HG22 THR A 17 1.150 5.527 -4.683 1.00 71.41 H new ATOM 0 HG23 THR A 17 -0.384 5.076 -5.464 1.00 71.41 H new ATOM 262 N VAL A 18 2.229 8.606 -5.256 1.00 73.14 N ATOM 263 CA VAL A 18 2.767 9.285 -4.067 1.00 33.14 C ATOM 264 C VAL A 18 1.787 10.362 -3.569 1.00 4.41 C ATOM 265 O VAL A 18 1.451 10.422 -2.384 1.00 54.11 O ATOM 266 CB VAL A 18 4.142 9.945 -4.353 1.00 53.22 C ATOM 267 CG1 VAL A 18 4.679 10.647 -3.104 1.00 4.14 C ATOM 268 CG2 VAL A 18 5.147 8.916 -4.868 1.00 22.32 C ATOM 0 H VAL A 18 2.842 8.632 -6.071 1.00 73.14 H new ATOM 0 HA VAL A 18 2.901 8.523 -3.299 1.00 33.14 H new ATOM 0 HB VAL A 18 3.998 10.695 -5.131 1.00 53.22 H new ATOM 0 HG11 VAL A 18 5.644 11.102 -3.329 1.00 4.14 H new ATOM 0 HG12 VAL A 18 3.977 11.420 -2.791 1.00 4.14 H new ATOM 0 HG13 VAL A 18 4.799 9.920 -2.301 1.00 4.14 H new ATOM 0 HG21 VAL A 18 6.102 9.405 -5.061 1.00 22.32 H new ATOM 0 HG22 VAL A 18 5.283 8.135 -4.120 1.00 22.32 H new ATOM 0 HG23 VAL A 18 4.774 8.473 -5.791 1.00 22.32 H new ATOM 278 N THR A 19 1.318 11.199 -4.497 1.00 32.51 N ATOM 279 CA THR A 19 0.323 12.237 -4.182 1.00 45.32 C ATOM 280 C THR A 19 -0.978 11.614 -3.656 1.00 64.11 C ATOM 281 O THR A 19 -1.618 12.148 -2.749 1.00 62.13 O ATOM 282 CB THR A 19 -0.002 13.108 -5.426 1.00 44.44 C ATOM 283 OG1 THR A 19 1.184 13.774 -5.898 1.00 13.13 O ATOM 284 CG2 THR A 19 -1.074 14.152 -5.117 1.00 64.50 C ATOM 0 H THR A 19 1.609 11.181 -5.474 1.00 32.51 H new ATOM 0 HA THR A 19 0.760 12.869 -3.409 1.00 45.32 H new ATOM 0 HB THR A 19 -0.381 12.439 -6.199 1.00 44.44 H new ATOM 0 HG1 THR A 19 0.963 14.317 -6.683 1.00 13.13 H new ATOM 0 HG21 THR A 19 -1.275 14.742 -6.011 1.00 64.50 H new ATOM 0 HG22 THR A 19 -1.989 13.651 -4.799 1.00 64.50 H new ATOM 0 HG23 THR A 19 -0.724 14.808 -4.320 1.00 64.50 H new ATOM 292 N TRP A 20 -1.355 10.475 -4.230 1.00 0.10 N ATOM 293 CA TRP A 20 -2.561 9.747 -3.821 1.00 53.52 C ATOM 294 C TRP A 20 -2.491 9.321 -2.341 1.00 62.30 C ATOM 295 O TRP A 20 -3.464 9.464 -1.596 1.00 30.12 O ATOM 296 CB TRP A 20 -2.751 8.525 -4.732 1.00 34.41 C ATOM 297 CG TRP A 20 -3.985 7.715 -4.440 1.00 20.43 C ATOM 298 CD1 TRP A 20 -5.252 8.183 -4.233 1.00 33.42 C ATOM 299 CD2 TRP A 20 -4.067 6.287 -4.353 1.00 14.12 C ATOM 300 NE1 TRP A 20 -6.111 7.134 -4.013 1.00 52.32 N ATOM 301 CE2 TRP A 20 -5.409 5.960 -4.084 1.00 64.33 C ATOM 302 CE3 TRP A 20 -3.135 5.253 -4.481 1.00 11.03 C ATOM 303 CZ2 TRP A 20 -5.839 4.646 -3.934 1.00 35.42 C ATOM 304 CZ3 TRP A 20 -3.563 3.948 -4.332 1.00 53.41 C ATOM 305 CH2 TRP A 20 -4.906 3.654 -4.066 1.00 53.14 C ATOM 0 H TRP A 20 -0.839 10.029 -4.988 1.00 0.10 H new ATOM 0 HA TRP A 20 -3.419 10.411 -3.923 1.00 53.52 H new ATOM 0 HB2 TRP A 20 -2.790 8.862 -5.768 1.00 34.41 H new ATOM 0 HB3 TRP A 20 -1.878 7.879 -4.640 1.00 34.41 H new ATOM 0 HD1 TRP A 20 -5.536 9.225 -4.241 1.00 33.42 H new ATOM 0 HE1 TRP A 20 -7.110 7.216 -3.827 1.00 52.32 H new ATOM 0 HE3 TRP A 20 -2.099 5.471 -4.693 1.00 11.03 H new ATOM 0 HZ2 TRP A 20 -6.873 4.417 -3.721 1.00 35.42 H new ATOM 0 HZ3 TRP A 20 -2.850 3.142 -4.422 1.00 53.41 H new ATOM 0 HH2 TRP A 20 -5.212 2.623 -3.963 1.00 53.14 H new ATOM 316 N LEU A 21 -1.338 8.813 -1.915 1.00 32.23 N ATOM 317 CA LEU A 21 -1.139 8.431 -0.511 1.00 5.24 C ATOM 318 C LEU A 21 -1.237 9.653 0.425 1.00 63.33 C ATOM 319 O LEU A 21 -1.851 9.590 1.496 1.00 4.22 O ATOM 320 CB LEU A 21 0.224 7.744 -0.329 1.00 43.25 C ATOM 321 CG LEU A 21 0.435 6.463 -1.154 1.00 54.11 C ATOM 322 CD1 LEU A 21 1.806 5.856 -0.866 1.00 52.42 C ATOM 323 CD2 LEU A 21 -0.674 5.449 -0.877 1.00 25.33 C ATOM 0 H LEU A 21 -0.528 8.655 -2.515 1.00 32.23 H new ATOM 0 HA LEU A 21 -1.932 7.733 -0.245 1.00 5.24 H new ATOM 0 HB2 LEU A 21 1.008 8.456 -0.589 1.00 43.25 H new ATOM 0 HB3 LEU A 21 0.351 7.501 0.726 1.00 43.25 H new ATOM 0 HG LEU A 21 0.394 6.729 -2.210 1.00 54.11 H new ATOM 0 HD11 LEU A 21 1.935 4.951 -1.460 1.00 52.42 H new ATOM 0 HD12 LEU A 21 2.584 6.574 -1.126 1.00 52.42 H new ATOM 0 HD13 LEU A 21 1.879 5.609 0.193 1.00 52.42 H new ATOM 0 HD21 LEU A 21 -0.503 4.552 -1.472 1.00 25.33 H new ATOM 0 HD22 LEU A 21 -0.673 5.189 0.181 1.00 25.33 H new ATOM 0 HD23 LEU A 21 -1.638 5.882 -1.143 1.00 25.33 H new ATOM 335 N ILE A 22 -0.637 10.767 0.007 1.00 72.30 N ATOM 336 CA ILE A 22 -0.641 11.997 0.807 1.00 51.11 C ATOM 337 C ILE A 22 -2.058 12.597 0.938 1.00 41.12 C ATOM 338 O ILE A 22 -2.487 12.951 2.037 1.00 2.55 O ATOM 339 CB ILE A 22 0.315 13.062 0.211 1.00 42.14 C ATOM 340 CG1 ILE A 22 1.748 12.506 0.115 1.00 50.32 C ATOM 341 CG2 ILE A 22 0.291 14.342 1.052 1.00 74.30 C ATOM 342 CD1 ILE A 22 2.735 13.454 -0.540 1.00 34.15 C ATOM 0 H ILE A 22 -0.141 10.846 -0.881 1.00 72.30 H new ATOM 0 HA ILE A 22 -0.290 11.718 1.801 1.00 51.11 H new ATOM 0 HB ILE A 22 -0.029 13.307 -0.794 1.00 42.14 H new ATOM 0 HG12 ILE A 22 2.101 12.266 1.118 1.00 50.32 H new ATOM 0 HG13 ILE A 22 1.728 11.573 -0.448 1.00 50.32 H new ATOM 0 HG21 ILE A 22 0.969 15.076 0.616 1.00 74.30 H new ATOM 0 HG22 ILE A 22 -0.721 14.747 1.069 1.00 74.30 H new ATOM 0 HG23 ILE A 22 0.608 14.115 2.070 1.00 74.30 H new ATOM 0 HD11 ILE A 22 3.721 12.990 -0.570 1.00 34.15 H new ATOM 0 HD12 ILE A 22 2.407 13.676 -1.556 1.00 34.15 H new ATOM 0 HD13 ILE A 22 2.787 14.379 0.034 1.00 34.15 H new ATOM 354 N THR A 23 -2.789 12.694 -0.177 1.00 73.54 N ATOM 355 CA THR A 23 -4.143 13.279 -0.166 1.00 24.23 C ATOM 356 C THR A 23 -5.116 12.453 0.691 1.00 14.43 C ATOM 357 O THR A 23 -6.067 12.988 1.258 1.00 12.24 O ATOM 358 CB THR A 23 -4.732 13.442 -1.593 1.00 62.12 C ATOM 359 OG1 THR A 23 -6.011 14.096 -1.532 1.00 70.11 O ATOM 360 CG2 THR A 23 -4.887 12.096 -2.297 1.00 12.14 C ATOM 0 H THR A 23 -2.473 12.379 -1.094 1.00 73.54 H new ATOM 0 HA THR A 23 -4.030 14.269 0.275 1.00 24.23 H new ATOM 0 HB THR A 23 -4.032 14.050 -2.166 1.00 62.12 H new ATOM 0 HG1 THR A 23 -6.372 14.194 -2.438 1.00 70.11 H new ATOM 0 HG21 THR A 23 -5.302 12.252 -3.293 1.00 12.14 H new ATOM 0 HG22 THR A 23 -3.912 11.615 -2.381 1.00 12.14 H new ATOM 0 HG23 THR A 23 -5.557 11.459 -1.720 1.00 12.14 H new ATOM 368 N LEU A 24 -4.870 11.144 0.788 1.00 21.44 N ATOM 369 CA LEU A 24 -5.682 10.267 1.645 1.00 33.52 C ATOM 370 C LEU A 24 -5.248 10.357 3.121 1.00 44.13 C ATOM 371 O LEU A 24 -5.950 9.875 4.008 1.00 1.10 O ATOM 372 CB LEU A 24 -5.598 8.812 1.160 1.00 74.13 C ATOM 373 CG LEU A 24 -6.235 8.538 -0.213 1.00 41.45 C ATOM 374 CD1 LEU A 24 -6.034 7.082 -0.619 1.00 50.42 C ATOM 375 CD2 LEU A 24 -7.723 8.891 -0.201 1.00 24.33 C ATOM 0 H LEU A 24 -4.120 10.667 0.288 1.00 21.44 H new ATOM 0 HA LEU A 24 -6.715 10.607 1.576 1.00 33.52 H new ATOM 0 HB2 LEU A 24 -4.549 8.520 1.120 1.00 74.13 H new ATOM 0 HB3 LEU A 24 -6.079 8.172 1.899 1.00 74.13 H new ATOM 0 HG LEU A 24 -5.740 9.171 -0.949 1.00 41.45 H new ATOM 0 HD11 LEU A 24 -6.492 6.909 -1.593 1.00 50.42 H new ATOM 0 HD12 LEU A 24 -4.968 6.864 -0.676 1.00 50.42 H new ATOM 0 HD13 LEU A 24 -6.499 6.430 0.121 1.00 50.42 H new ATOM 0 HD21 LEU A 24 -8.153 8.689 -1.182 1.00 24.33 H new ATOM 0 HD22 LEU A 24 -8.234 8.288 0.550 1.00 24.33 H new ATOM 0 HD23 LEU A 24 -7.844 9.948 0.038 1.00 24.33 H new ATOM 387 N GLY A 25 -4.089 10.972 3.371 1.00 13.13 N ATOM 388 CA GLY A 25 -3.597 11.144 4.739 1.00 12.21 C ATOM 389 C GLY A 25 -3.023 9.867 5.344 1.00 71.25 C ATOM 390 O GLY A 25 -2.866 9.760 6.561 1.00 42.12 O ATOM 0 H GLY A 25 -3.478 11.356 2.650 1.00 13.13 H new ATOM 0 HA2 GLY A 25 -2.829 11.917 4.746 1.00 12.21 H new ATOM 0 HA3 GLY A 25 -4.413 11.500 5.368 1.00 12.21 H new ATOM 394 N VAL A 26 -2.703 8.901 4.490 1.00 62.04 N ATOM 395 CA VAL A 26 -2.161 7.614 4.938 1.00 4.02 C ATOM 396 C VAL A 26 -0.633 7.664 5.045 1.00 33.43 C ATOM 397 O VAL A 26 -0.018 6.906 5.797 1.00 5.42 O ATOM 398 CB VAL A 26 -2.584 6.479 3.975 1.00 45.01 C ATOM 399 CG1 VAL A 26 -4.090 6.523 3.757 1.00 1.31 C ATOM 400 CG2 VAL A 26 -1.840 6.566 2.643 1.00 34.23 C ATOM 0 H VAL A 26 -2.808 8.981 3.479 1.00 62.04 H new ATOM 0 HA VAL A 26 -2.569 7.410 5.928 1.00 4.02 H new ATOM 0 HB VAL A 26 -2.318 5.526 4.432 1.00 45.01 H new ATOM 0 HG11 VAL A 26 -4.383 5.722 3.078 1.00 1.31 H new ATOM 0 HG12 VAL A 26 -4.600 6.394 4.712 1.00 1.31 H new ATOM 0 HG13 VAL A 26 -4.367 7.484 3.325 1.00 1.31 H new ATOM 0 HG21 VAL A 26 -2.163 5.753 1.992 1.00 34.23 H new ATOM 0 HG22 VAL A 26 -2.059 7.521 2.166 1.00 34.23 H new ATOM 0 HG23 VAL A 26 -0.767 6.486 2.819 1.00 34.23 H new ATOM 410 N LEU A 27 -0.035 8.568 4.278 1.00 61.23 N ATOM 411 CA LEU A 27 1.406 8.799 4.308 1.00 13.21 C ATOM 412 C LEU A 27 1.687 10.296 4.479 1.00 71.52 C ATOM 413 O LEU A 27 1.284 11.110 3.646 1.00 65.33 O ATOM 414 CB LEU A 27 2.052 8.276 3.015 1.00 31.30 C ATOM 415 CG LEU A 27 3.582 8.419 2.929 1.00 13.32 C ATOM 416 CD1 LEU A 27 4.268 7.679 4.076 1.00 4.05 C ATOM 417 CD2 LEU A 27 4.088 7.913 1.580 1.00 41.25 C ATOM 0 H LEU A 27 -0.535 9.162 3.617 1.00 61.23 H new ATOM 0 HA LEU A 27 1.838 8.261 5.152 1.00 13.21 H new ATOM 0 HB2 LEU A 27 1.797 7.222 2.904 1.00 31.30 H new ATOM 0 HB3 LEU A 27 1.608 8.802 2.170 1.00 31.30 H new ATOM 0 HG LEU A 27 3.831 9.476 3.018 1.00 13.32 H new ATOM 0 HD11 LEU A 27 5.348 7.797 3.990 1.00 4.05 H new ATOM 0 HD12 LEU A 27 3.932 8.091 5.027 1.00 4.05 H new ATOM 0 HD13 LEU A 27 4.014 6.620 4.030 1.00 4.05 H new ATOM 0 HD21 LEU A 27 5.172 8.021 1.534 1.00 41.25 H new ATOM 0 HD22 LEU A 27 3.822 6.862 1.463 1.00 41.25 H new ATOM 0 HD23 LEU A 27 3.632 8.494 0.779 1.00 41.25 H new ATOM 429 N GLU A 28 2.355 10.654 5.573 1.00 73.24 N ATOM 430 CA GLU A 28 2.644 12.058 5.880 1.00 14.31 C ATOM 431 C GLU A 28 3.572 12.690 4.827 1.00 12.44 C ATOM 432 O GLU A 28 4.379 12.006 4.195 1.00 3.31 O ATOM 433 CB GLU A 28 3.244 12.179 7.290 1.00 24.14 C ATOM 434 CG GLU A 28 4.492 11.336 7.514 1.00 52.11 C ATOM 435 CD GLU A 28 4.940 11.331 8.971 1.00 43.22 C ATOM 436 OE1 GLU A 28 4.456 10.477 9.748 1.00 74.34 O ATOM 437 OE2 GLU A 28 5.765 12.189 9.350 1.00 14.15 O ATOM 0 H GLU A 28 2.708 9.992 6.264 1.00 73.24 H new ATOM 0 HA GLU A 28 1.705 12.611 5.852 1.00 14.31 H new ATOM 0 HB2 GLU A 28 3.487 13.224 7.480 1.00 24.14 H new ATOM 0 HB3 GLU A 28 2.488 11.889 8.020 1.00 24.14 H new ATOM 0 HG2 GLU A 28 4.297 10.312 7.194 1.00 52.11 H new ATOM 0 HG3 GLU A 28 5.301 11.717 6.890 1.00 52.11 H new ATOM 444 N SER A 29 3.452 14.004 4.655 1.00 24.14 N ATOM 445 CA SER A 29 4.137 14.721 3.566 1.00 5.45 C ATOM 446 C SER A 29 5.659 14.781 3.768 1.00 3.01 C ATOM 447 O SER A 29 6.139 15.087 4.863 1.00 64.01 O ATOM 448 CB SER A 29 3.587 16.152 3.431 1.00 13.31 C ATOM 449 OG SER A 29 3.820 16.918 4.606 1.00 2.03 O ATOM 0 H SER A 29 2.885 14.603 5.256 1.00 24.14 H new ATOM 0 HA SER A 29 3.941 14.159 2.653 1.00 5.45 H new ATOM 0 HB2 SER A 29 4.055 16.643 2.578 1.00 13.31 H new ATOM 0 HB3 SER A 29 2.517 16.113 3.228 1.00 13.31 H new ATOM 0 HG SER A 29 3.460 17.821 4.485 1.00 2.03 H new ATOM 455 N PRO A 30 6.442 14.497 2.706 1.00 73.11 N ATOM 456 CA PRO A 30 7.908 14.639 2.743 1.00 33.22 C ATOM 457 C PRO A 30 8.347 16.113 2.803 1.00 13.43 C ATOM 458 O PRO A 30 7.518 17.025 2.732 1.00 13.14 O ATOM 459 CB PRO A 30 8.359 13.988 1.427 1.00 21.30 C ATOM 460 CG PRO A 30 7.186 14.131 0.517 1.00 40.22 C ATOM 461 CD PRO A 30 5.969 14.007 1.393 1.00 62.41 C ATOM 0 HA PRO A 30 8.345 14.179 3.629 1.00 33.22 H new ATOM 0 HB2 PRO A 30 9.240 14.485 1.020 1.00 21.30 H new ATOM 0 HB3 PRO A 30 8.623 12.940 1.573 1.00 21.30 H new ATOM 0 HG2 PRO A 30 7.203 15.093 0.006 1.00 40.22 H new ATOM 0 HG3 PRO A 30 7.193 13.360 -0.254 1.00 40.22 H new ATOM 0 HD2 PRO A 30 5.139 14.605 1.016 1.00 62.41 H new ATOM 0 HD3 PRO A 30 5.619 12.976 1.451 1.00 62.41 H new ATOM 469 N LYS A 31 9.648 16.355 2.930 1.00 21.03 N ATOM 470 CA LYS A 31 10.156 17.729 3.040 1.00 15.04 C ATOM 471 C LYS A 31 10.566 18.312 1.676 1.00 73.21 C ATOM 472 O LYS A 31 11.017 19.455 1.594 1.00 13.13 O ATOM 473 CB LYS A 31 11.333 17.784 4.027 1.00 64.41 C ATOM 474 CG LYS A 31 11.041 17.140 5.385 1.00 52.01 C ATOM 475 CD LYS A 31 9.704 17.593 5.976 1.00 22.21 C ATOM 476 CE LYS A 31 9.643 19.101 6.199 1.00 75.30 C ATOM 477 NZ LYS A 31 8.302 19.530 6.678 1.00 31.23 N ATOM 0 H LYS A 31 10.366 15.631 2.960 1.00 21.03 H new ATOM 0 HA LYS A 31 9.342 18.347 3.419 1.00 15.04 H new ATOM 0 HB2 LYS A 31 12.193 17.286 3.578 1.00 64.41 H new ATOM 0 HB3 LYS A 31 11.613 18.826 4.184 1.00 64.41 H new ATOM 0 HG2 LYS A 31 11.037 16.056 5.275 1.00 52.01 H new ATOM 0 HG3 LYS A 31 11.844 17.387 6.080 1.00 52.01 H new ATOM 0 HD2 LYS A 31 8.896 17.295 5.308 1.00 22.21 H new ATOM 0 HD3 LYS A 31 9.538 17.082 6.924 1.00 22.21 H new ATOM 0 HE2 LYS A 31 10.400 19.393 6.927 1.00 75.30 H new ATOM 0 HE3 LYS A 31 9.880 19.617 5.268 1.00 75.30 H new ATOM 0 HZ1 LYS A 31 8.297 20.560 6.819 1.00 31.23 H new ATOM 0 HZ2 LYS A 31 7.583 19.274 5.972 1.00 31.23 H new ATOM 0 HZ3 LYS A 31 8.087 19.056 7.579 1.00 31.23 H new ATOM 491 N LYS A 32 10.388 17.535 0.608 1.00 34.54 N ATOM 492 CA LYS A 32 10.696 18.005 -0.750 1.00 4.44 C ATOM 493 C LYS A 32 9.950 17.185 -1.813 1.00 65.54 C ATOM 494 O LYS A 32 9.254 16.217 -1.497 1.00 72.30 O ATOM 495 CB LYS A 32 12.208 17.939 -1.023 1.00 70.01 C ATOM 496 CG LYS A 32 12.766 16.521 -1.148 1.00 43.43 C ATOM 497 CD LYS A 32 14.236 16.534 -1.567 1.00 4.33 C ATOM 498 CE LYS A 32 14.780 15.131 -1.808 1.00 22.53 C ATOM 499 NZ LYS A 32 16.203 15.155 -2.236 1.00 72.43 N ATOM 0 H LYS A 32 10.033 16.580 0.652 1.00 34.54 H new ATOM 0 HA LYS A 32 10.363 19.041 -0.813 1.00 4.44 H new ATOM 0 HB2 LYS A 32 12.423 18.483 -1.943 1.00 70.01 H new ATOM 0 HB3 LYS A 32 12.733 18.453 -0.218 1.00 70.01 H new ATOM 0 HG2 LYS A 32 12.663 16.003 -0.195 1.00 43.43 H new ATOM 0 HG3 LYS A 32 12.183 15.962 -1.880 1.00 43.43 H new ATOM 0 HD2 LYS A 32 14.348 17.126 -2.476 1.00 4.33 H new ATOM 0 HD3 LYS A 32 14.828 17.023 -0.793 1.00 4.33 H new ATOM 0 HE2 LYS A 32 14.685 14.543 -0.895 1.00 22.53 H new ATOM 0 HE3 LYS A 32 14.180 14.635 -2.571 1.00 22.53 H new ATOM 0 HZ1 LYS A 32 16.536 14.182 -2.390 1.00 72.43 H new ATOM 0 HZ2 LYS A 32 16.290 15.695 -3.121 1.00 72.43 H new ATOM 0 HZ3 LYS A 32 16.780 15.606 -1.497 1.00 72.43 H new ATOM 513 N THR A 33 10.100 17.587 -3.075 1.00 63.34 N ATOM 514 CA THR A 33 9.519 16.851 -4.204 1.00 44.10 C ATOM 515 C THR A 33 10.222 15.499 -4.400 1.00 52.13 C ATOM 516 O THR A 33 11.430 15.447 -4.645 1.00 70.33 O ATOM 517 CB THR A 33 9.609 17.664 -5.524 1.00 0.31 C ATOM 518 OG1 THR A 33 8.947 18.933 -5.367 1.00 72.21 O ATOM 519 CG2 THR A 33 8.980 16.903 -6.691 1.00 72.21 C ATOM 0 H THR A 33 10.621 18.422 -3.345 1.00 63.34 H new ATOM 0 HA THR A 33 8.469 16.684 -3.964 1.00 44.10 H new ATOM 0 HB THR A 33 10.664 17.823 -5.746 1.00 0.31 H new ATOM 0 HG1 THR A 33 9.010 19.440 -6.203 1.00 72.21 H new ATOM 0 HG21 THR A 33 9.060 17.500 -7.600 1.00 72.21 H new ATOM 0 HG22 THR A 33 9.502 15.956 -6.832 1.00 72.21 H new ATOM 0 HG23 THR A 33 7.929 16.709 -6.475 1.00 72.21 H new ATOM 527 N ILE A 34 9.458 14.415 -4.291 1.00 20.23 N ATOM 528 CA ILE A 34 10.006 13.059 -4.406 1.00 13.50 C ATOM 529 C ILE A 34 10.731 12.843 -5.747 1.00 55.23 C ATOM 530 O ILE A 34 10.113 12.831 -6.812 1.00 61.54 O ATOM 531 CB ILE A 34 8.891 11.994 -4.238 1.00 64.52 C ATOM 532 CG1 ILE A 34 8.213 12.143 -2.867 1.00 14.14 C ATOM 533 CG2 ILE A 34 9.452 10.583 -4.409 1.00 51.24 C ATOM 534 CD1 ILE A 34 9.156 11.963 -1.692 1.00 73.31 C ATOM 0 H ILE A 34 8.453 14.446 -4.122 1.00 20.23 H new ATOM 0 HA ILE A 34 10.735 12.945 -3.604 1.00 13.50 H new ATOM 0 HB ILE A 34 8.145 12.156 -5.016 1.00 64.52 H new ATOM 0 HG12 ILE A 34 7.755 13.130 -2.805 1.00 14.14 H new ATOM 0 HG13 ILE A 34 7.408 11.412 -2.789 1.00 14.14 H new ATOM 0 HG21 ILE A 34 8.650 9.855 -4.286 1.00 51.24 H new ATOM 0 HG22 ILE A 34 9.885 10.482 -5.404 1.00 51.24 H new ATOM 0 HG23 ILE A 34 10.222 10.404 -3.658 1.00 51.24 H new ATOM 0 HD11 ILE A 34 8.603 12.083 -0.760 1.00 73.31 H new ATOM 0 HD12 ILE A 34 9.595 10.966 -1.728 1.00 73.31 H new ATOM 0 HD13 ILE A 34 9.948 12.711 -1.743 1.00 73.31 H new ATOM 546 N SER A 35 12.050 12.683 -5.677 1.00 41.21 N ATOM 547 CA SER A 35 12.881 12.457 -6.869 1.00 34.33 C ATOM 548 C SER A 35 12.951 10.967 -7.224 1.00 10.55 C ATOM 549 O SER A 35 13.228 10.599 -8.368 1.00 52.42 O ATOM 550 CB SER A 35 14.295 13.003 -6.636 1.00 43.24 C ATOM 551 OG SER A 35 14.269 14.387 -6.300 1.00 12.12 O ATOM 0 H SER A 35 12.575 12.705 -4.803 1.00 41.21 H new ATOM 0 HA SER A 35 12.421 12.985 -7.704 1.00 34.33 H new ATOM 0 HB2 SER A 35 14.776 12.442 -5.835 1.00 43.24 H new ATOM 0 HB3 SER A 35 14.896 12.856 -7.534 1.00 43.24 H new ATOM 0 HG SER A 35 15.184 14.706 -6.156 1.00 12.12 H new ATOM 557 N ASP A 36 12.708 10.112 -6.231 1.00 74.41 N ATOM 558 CA ASP A 36 12.686 8.658 -6.433 1.00 21.03 C ATOM 559 C ASP A 36 11.294 8.091 -6.106 1.00 15.22 C ATOM 560 O ASP A 36 11.077 7.565 -5.015 1.00 21.32 O ATOM 561 CB ASP A 36 13.737 7.983 -5.543 1.00 52.22 C ATOM 562 CG ASP A 36 15.104 8.628 -5.660 1.00 33.21 C ATOM 563 OD1 ASP A 36 15.859 8.270 -6.590 1.00 0.10 O ATOM 564 OD2 ASP A 36 15.435 9.489 -4.815 1.00 1.15 O ATOM 0 H ASP A 36 12.522 10.401 -5.271 1.00 74.41 H new ATOM 0 HA ASP A 36 12.916 8.454 -7.479 1.00 21.03 H new ATOM 0 HB2 ASP A 36 13.408 8.024 -4.505 1.00 52.22 H new ATOM 0 HB3 ASP A 36 13.813 6.929 -5.812 1.00 52.22 H new ATOM 569 N PRO A 37 10.324 8.193 -7.037 1.00 54.31 N ATOM 570 CA PRO A 37 8.929 7.794 -6.770 1.00 23.42 C ATOM 571 C PRO A 37 8.782 6.304 -6.423 1.00 2.44 C ATOM 572 O PRO A 37 8.184 5.948 -5.407 1.00 45.51 O ATOM 573 CB PRO A 37 8.202 8.126 -8.085 1.00 43.41 C ATOM 574 CG PRO A 37 9.278 8.168 -9.119 1.00 54.23 C ATOM 575 CD PRO A 37 10.500 8.691 -8.414 1.00 60.32 C ATOM 0 HA PRO A 37 8.524 8.313 -5.901 1.00 23.42 H new ATOM 0 HB2 PRO A 37 7.454 7.371 -8.324 1.00 43.41 H new ATOM 0 HB3 PRO A 37 7.681 9.081 -8.018 1.00 43.41 H new ATOM 0 HG2 PRO A 37 9.460 7.177 -9.535 1.00 54.23 H new ATOM 0 HG3 PRO A 37 8.998 8.816 -9.950 1.00 54.23 H new ATOM 0 HD2 PRO A 37 11.418 8.316 -8.865 1.00 60.32 H new ATOM 0 HD3 PRO A 37 10.551 9.779 -8.447 1.00 60.32 H new ATOM 583 N GLU A 38 9.346 5.436 -7.260 1.00 34.13 N ATOM 584 CA GLU A 38 9.236 3.987 -7.065 1.00 64.32 C ATOM 585 C GLU A 38 10.018 3.525 -5.826 1.00 44.04 C ATOM 586 O GLU A 38 9.533 2.708 -5.043 1.00 75.31 O ATOM 587 CB GLU A 38 9.726 3.256 -8.321 1.00 70.24 C ATOM 588 CG GLU A 38 8.948 3.640 -9.577 1.00 51.42 C ATOM 589 CD GLU A 38 9.475 2.973 -10.836 1.00 64.42 C ATOM 590 OE1 GLU A 38 10.539 3.395 -11.333 1.00 12.21 O ATOM 591 OE2 GLU A 38 8.822 2.037 -11.344 1.00 34.44 O ATOM 0 H GLU A 38 9.885 5.709 -8.082 1.00 34.13 H new ATOM 0 HA GLU A 38 8.187 3.742 -6.896 1.00 64.32 H new ATOM 0 HB2 GLU A 38 10.783 3.476 -8.474 1.00 70.24 H new ATOM 0 HB3 GLU A 38 9.644 2.181 -8.164 1.00 70.24 H new ATOM 0 HG2 GLU A 38 7.900 3.372 -9.443 1.00 51.42 H new ATOM 0 HG3 GLU A 38 8.987 4.722 -9.704 1.00 51.42 H new ATOM 598 N GLY A 39 11.223 4.062 -5.651 1.00 74.20 N ATOM 599 CA GLY A 39 12.032 3.738 -4.480 1.00 44.43 C ATOM 600 C GLY A 39 11.417 4.229 -3.171 1.00 33.22 C ATOM 601 O GLY A 39 11.490 3.548 -2.146 1.00 14.31 O ATOM 0 H GLY A 39 11.658 4.718 -6.300 1.00 74.20 H new ATOM 0 HA2 GLY A 39 12.168 2.658 -4.428 1.00 44.43 H new ATOM 0 HA3 GLY A 39 13.022 4.179 -4.597 1.00 44.43 H new ATOM 605 N PHE A 40 10.814 5.416 -3.210 1.00 50.14 N ATOM 606 CA PHE A 40 10.139 5.993 -2.042 1.00 13.31 C ATOM 607 C PHE A 40 8.921 5.152 -1.626 1.00 2.32 C ATOM 608 O PHE A 40 8.717 4.882 -0.439 1.00 71.14 O ATOM 609 CB PHE A 40 9.709 7.434 -2.354 1.00 31.53 C ATOM 610 CG PHE A 40 8.935 8.110 -1.247 1.00 25.13 C ATOM 611 CD1 PHE A 40 9.561 8.472 -0.061 1.00 51.55 C ATOM 612 CD2 PHE A 40 7.582 8.390 -1.396 1.00 24.43 C ATOM 613 CE1 PHE A 40 8.855 9.097 0.949 1.00 2.23 C ATOM 614 CE2 PHE A 40 6.873 9.013 -0.387 1.00 23.31 C ATOM 615 CZ PHE A 40 7.511 9.367 0.787 1.00 65.00 C ATOM 0 H PHE A 40 10.778 6.003 -4.043 1.00 50.14 H new ATOM 0 HA PHE A 40 10.840 5.995 -1.207 1.00 13.31 H new ATOM 0 HB2 PHE A 40 10.598 8.026 -2.572 1.00 31.53 H new ATOM 0 HB3 PHE A 40 9.099 7.430 -3.257 1.00 31.53 H new ATOM 0 HD1 PHE A 40 10.612 8.262 0.073 1.00 51.55 H new ATOM 0 HD2 PHE A 40 7.079 8.117 -2.312 1.00 24.43 H new ATOM 0 HE1 PHE A 40 9.355 9.374 1.865 1.00 2.23 H new ATOM 0 HE2 PHE A 40 5.821 9.223 -0.515 1.00 23.31 H new ATOM 0 HZ PHE A 40 6.959 9.854 1.577 1.00 65.00 H new ATOM 625 N LEU A 41 8.112 4.746 -2.603 1.00 54.34 N ATOM 626 CA LEU A 41 6.941 3.901 -2.335 1.00 13.41 C ATOM 627 C LEU A 41 7.358 2.516 -1.806 1.00 33.51 C ATOM 628 O LEU A 41 6.787 2.021 -0.838 1.00 12.31 O ATOM 629 CB LEU A 41 6.086 3.749 -3.601 1.00 31.50 C ATOM 630 CG LEU A 41 5.468 5.050 -4.141 1.00 32.33 C ATOM 631 CD1 LEU A 41 4.670 4.780 -5.412 1.00 4.34 C ATOM 632 CD2 LEU A 41 4.591 5.711 -3.082 1.00 61.20 C ATOM 0 H LEU A 41 8.242 4.986 -3.586 1.00 54.34 H new ATOM 0 HA LEU A 41 6.347 4.392 -1.564 1.00 13.41 H new ATOM 0 HB2 LEU A 41 6.702 3.307 -4.384 1.00 31.50 H new ATOM 0 HB3 LEU A 41 5.281 3.044 -3.393 1.00 31.50 H new ATOM 0 HG LEU A 41 6.278 5.736 -4.387 1.00 32.33 H new ATOM 0 HD11 LEU A 41 4.241 5.713 -5.778 1.00 4.34 H new ATOM 0 HD12 LEU A 41 5.328 4.361 -6.173 1.00 4.34 H new ATOM 0 HD13 LEU A 41 3.869 4.073 -5.195 1.00 4.34 H new ATOM 0 HD21 LEU A 41 4.164 6.629 -3.485 1.00 61.20 H new ATOM 0 HD22 LEU A 41 3.788 5.031 -2.799 1.00 61.20 H new ATOM 0 HD23 LEU A 41 5.194 5.946 -2.205 1.00 61.20 H new ATOM 644 N GLN A 42 8.359 1.901 -2.437 1.00 55.23 N ATOM 645 CA GLN A 42 8.862 0.596 -1.988 1.00 33.35 C ATOM 646 C GLN A 42 9.356 0.673 -0.532 1.00 33.10 C ATOM 647 O GLN A 42 9.070 -0.206 0.281 1.00 10.43 O ATOM 648 CB GLN A 42 9.989 0.105 -2.924 1.00 20.44 C ATOM 649 CG GLN A 42 10.435 -1.345 -2.690 1.00 15.30 C ATOM 650 CD GLN A 42 11.370 -1.522 -1.497 1.00 20.45 C ATOM 651 OE1 GLN A 42 12.161 -0.640 -1.169 1.00 74.33 O ATOM 652 NE2 GLN A 42 11.282 -2.660 -0.836 1.00 35.00 N ATOM 0 H GLN A 42 8.837 2.280 -3.255 1.00 55.23 H new ATOM 0 HA GLN A 42 8.043 -0.122 -2.028 1.00 33.35 H new ATOM 0 HB2 GLN A 42 9.654 0.205 -3.956 1.00 20.44 H new ATOM 0 HB3 GLN A 42 10.852 0.760 -2.804 1.00 20.44 H new ATOM 0 HG2 GLN A 42 9.552 -1.966 -2.542 1.00 15.30 H new ATOM 0 HG3 GLN A 42 10.935 -1.710 -3.587 1.00 15.30 H new ATOM 0 HE21 GLN A 42 10.615 -3.372 -1.133 1.00 35.00 H new ATOM 0 HE22 GLN A 42 11.881 -2.828 -0.027 1.00 35.00 H new ATOM 661 N ALA A 43 10.092 1.737 -0.214 1.00 54.43 N ATOM 662 CA ALA A 43 10.629 1.939 1.139 1.00 22.43 C ATOM 663 C ALA A 43 9.513 2.140 2.181 1.00 33.11 C ATOM 664 O ALA A 43 9.522 1.515 3.241 1.00 5.34 O ATOM 665 CB ALA A 43 11.581 3.132 1.149 1.00 41.24 C ATOM 0 H ALA A 43 10.333 2.477 -0.874 1.00 54.43 H new ATOM 0 HA ALA A 43 11.173 1.036 1.416 1.00 22.43 H new ATOM 0 HB1 ALA A 43 11.975 3.275 2.155 1.00 41.24 H new ATOM 0 HB2 ALA A 43 12.405 2.946 0.460 1.00 41.24 H new ATOM 0 HB3 ALA A 43 11.044 4.028 0.839 1.00 41.24 H new ATOM 671 N SER A 44 8.556 3.009 1.866 1.00 32.12 N ATOM 672 CA SER A 44 7.469 3.352 2.800 1.00 24.01 C ATOM 673 C SER A 44 6.449 2.211 2.947 1.00 3.25 C ATOM 674 O SER A 44 6.116 1.795 4.059 1.00 14.03 O ATOM 675 CB SER A 44 6.756 4.629 2.330 1.00 45.41 C ATOM 676 OG SER A 44 6.260 4.485 1.009 1.00 42.52 O ATOM 0 H SER A 44 8.505 3.494 0.970 1.00 32.12 H new ATOM 0 HA SER A 44 7.921 3.518 3.778 1.00 24.01 H new ATOM 0 HB2 SER A 44 5.933 4.859 3.007 1.00 45.41 H new ATOM 0 HB3 SER A 44 7.447 5.471 2.372 1.00 45.41 H new ATOM 0 HG SER A 44 6.988 4.628 0.369 1.00 42.52 H new ATOM 682 N LEU A 45 5.957 1.704 1.821 1.00 15.41 N ATOM 683 CA LEU A 45 4.932 0.650 1.816 1.00 34.35 C ATOM 684 C LEU A 45 5.477 -0.707 2.305 1.00 33.31 C ATOM 685 O LEU A 45 4.701 -1.601 2.642 1.00 71.14 O ATOM 686 CB LEU A 45 4.347 0.494 0.403 1.00 3.44 C ATOM 687 CG LEU A 45 3.736 1.772 -0.202 1.00 65.43 C ATOM 688 CD1 LEU A 45 3.225 1.514 -1.619 1.00 33.41 C ATOM 689 CD2 LEU A 45 2.618 2.310 0.689 1.00 40.02 C ATOM 0 H LEU A 45 6.250 2.004 0.891 1.00 15.41 H new ATOM 0 HA LEU A 45 4.152 0.958 2.513 1.00 34.35 H new ATOM 0 HB2 LEU A 45 5.135 0.138 -0.261 1.00 3.44 H new ATOM 0 HB3 LEU A 45 3.579 -0.279 0.429 1.00 3.44 H new ATOM 0 HG LEU A 45 4.519 2.528 -0.259 1.00 65.43 H new ATOM 0 HD11 LEU A 45 2.798 2.431 -2.025 1.00 33.41 H new ATOM 0 HD12 LEU A 45 4.052 1.188 -2.250 1.00 33.41 H new ATOM 0 HD13 LEU A 45 2.460 0.738 -1.594 1.00 33.41 H new ATOM 0 HD21 LEU A 45 2.200 3.213 0.243 1.00 40.02 H new ATOM 0 HD22 LEU A 45 1.836 1.557 0.785 1.00 40.02 H new ATOM 0 HD23 LEU A 45 3.019 2.544 1.675 1.00 40.02 H new ATOM 701 N LYS A 46 6.802 -0.837 2.360 1.00 31.34 N ATOM 702 CA LYS A 46 7.465 -2.100 2.734 1.00 53.05 C ATOM 703 C LYS A 46 6.909 -2.708 4.037 1.00 1.02 C ATOM 704 O LYS A 46 6.709 -3.918 4.135 1.00 52.41 O ATOM 705 CB LYS A 46 8.972 -1.867 2.901 1.00 55.41 C ATOM 706 CG LYS A 46 9.778 -3.154 3.050 1.00 31.31 C ATOM 707 CD LYS A 46 11.248 -2.900 3.391 1.00 24.21 C ATOM 708 CE LYS A 46 11.452 -2.507 4.856 1.00 3.30 C ATOM 709 NZ LYS A 46 10.922 -1.151 5.172 1.00 13.42 N ATOM 0 H LYS A 46 7.449 -0.078 2.149 1.00 31.34 H new ATOM 0 HA LYS A 46 7.267 -2.807 1.928 1.00 53.05 H new ATOM 0 HB2 LYS A 46 9.343 -1.314 2.038 1.00 55.41 H new ATOM 0 HB3 LYS A 46 9.139 -1.240 3.777 1.00 55.41 H new ATOM 0 HG2 LYS A 46 9.330 -3.769 3.831 1.00 31.31 H new ATOM 0 HG3 LYS A 46 9.719 -3.723 2.122 1.00 31.31 H new ATOM 0 HD2 LYS A 46 11.828 -3.797 3.175 1.00 24.21 H new ATOM 0 HD3 LYS A 46 11.635 -2.109 2.749 1.00 24.21 H new ATOM 0 HE2 LYS A 46 10.962 -3.241 5.495 1.00 3.30 H new ATOM 0 HE3 LYS A 46 12.516 -2.539 5.091 1.00 3.30 H new ATOM 0 HZ1 LYS A 46 11.553 -0.682 5.853 1.00 13.42 H new ATOM 0 HZ2 LYS A 46 10.872 -0.586 4.300 1.00 13.42 H new ATOM 0 HZ3 LYS A 46 9.971 -1.237 5.584 1.00 13.42 H new ATOM 723 N ASP A 47 6.678 -1.862 5.037 1.00 75.41 N ATOM 724 CA ASP A 47 6.242 -2.322 6.361 1.00 10.22 C ATOM 725 C ASP A 47 4.722 -2.571 6.432 1.00 34.11 C ATOM 726 O ASP A 47 4.191 -2.926 7.487 1.00 74.01 O ATOM 727 CB ASP A 47 6.674 -1.301 7.417 1.00 12.33 C ATOM 728 CG ASP A 47 8.181 -1.091 7.412 1.00 4.51 C ATOM 729 OD1 ASP A 47 8.693 -0.434 6.480 1.00 2.13 O ATOM 730 OD2 ASP A 47 8.865 -1.604 8.322 1.00 43.03 O ATOM 0 H ASP A 47 6.785 -0.851 4.960 1.00 75.41 H new ATOM 0 HA ASP A 47 6.719 -3.282 6.556 1.00 10.22 H new ATOM 0 HB2 ASP A 47 6.173 -0.351 7.231 1.00 12.33 H new ATOM 0 HB3 ASP A 47 6.357 -1.641 8.403 1.00 12.33 H new ATOM 735 N GLY A 48 4.026 -2.372 5.312 1.00 72.12 N ATOM 736 CA GLY A 48 2.594 -2.666 5.232 1.00 23.45 C ATOM 737 C GLY A 48 1.683 -1.650 5.928 1.00 45.41 C ATOM 738 O GLY A 48 0.558 -1.423 5.481 1.00 44.44 O ATOM 0 H GLY A 48 4.430 -2.009 4.449 1.00 72.12 H new ATOM 0 HA2 GLY A 48 2.309 -2.726 4.182 1.00 23.45 H new ATOM 0 HA3 GLY A 48 2.416 -3.649 5.668 1.00 23.45 H new ATOM 742 N VAL A 49 2.162 -1.035 7.010 1.00 2.14 N ATOM 743 CA VAL A 49 1.352 -0.104 7.816 1.00 2.03 C ATOM 744 C VAL A 49 0.659 0.976 6.956 1.00 23.42 C ATOM 745 O VAL A 49 -0.529 1.256 7.131 1.00 22.44 O ATOM 746 CB VAL A 49 2.217 0.587 8.904 1.00 41.10 C ATOM 747 CG1 VAL A 49 1.362 1.491 9.793 1.00 32.54 C ATOM 748 CG2 VAL A 49 2.966 -0.452 9.743 1.00 3.40 C ATOM 0 H VAL A 49 3.113 -1.163 7.355 1.00 2.14 H new ATOM 0 HA VAL A 49 0.578 -0.707 8.290 1.00 2.03 H new ATOM 0 HB VAL A 49 2.954 1.213 8.401 1.00 41.10 H new ATOM 0 HG11 VAL A 49 1.993 1.962 10.546 1.00 32.54 H new ATOM 0 HG12 VAL A 49 0.890 2.260 9.182 1.00 32.54 H new ATOM 0 HG13 VAL A 49 0.593 0.895 10.285 1.00 32.54 H new ATOM 0 HG21 VAL A 49 3.566 0.055 10.499 1.00 3.40 H new ATOM 0 HG22 VAL A 49 2.248 -1.111 10.231 1.00 3.40 H new ATOM 0 HG23 VAL A 49 3.618 -1.040 9.097 1.00 3.40 H new ATOM 758 N VAL A 50 1.401 1.576 6.024 1.00 0.02 N ATOM 759 CA VAL A 50 0.835 2.597 5.132 1.00 31.11 C ATOM 760 C VAL A 50 -0.247 1.998 4.211 1.00 41.24 C ATOM 761 O VAL A 50 -1.248 2.649 3.904 1.00 52.32 O ATOM 762 CB VAL A 50 1.935 3.270 4.269 1.00 40.34 C ATOM 763 CG1 VAL A 50 1.343 4.378 3.397 1.00 31.43 C ATOM 764 CG2 VAL A 50 3.056 3.820 5.152 1.00 14.30 C ATOM 0 H VAL A 50 2.389 1.377 5.865 1.00 0.02 H new ATOM 0 HA VAL A 50 0.378 3.354 5.769 1.00 31.11 H new ATOM 0 HB VAL A 50 2.359 2.511 3.612 1.00 40.34 H new ATOM 0 HG11 VAL A 50 2.134 4.834 2.802 1.00 31.43 H new ATOM 0 HG12 VAL A 50 0.588 3.955 2.734 1.00 31.43 H new ATOM 0 HG13 VAL A 50 0.885 5.136 4.033 1.00 31.43 H new ATOM 0 HG21 VAL A 50 3.816 4.287 4.526 1.00 14.30 H new ATOM 0 HG22 VAL A 50 2.647 4.560 5.840 1.00 14.30 H new ATOM 0 HG23 VAL A 50 3.505 3.005 5.720 1.00 14.30 H new ATOM 774 N LEU A 51 -0.048 0.745 3.790 1.00 44.34 N ATOM 775 CA LEU A 51 -1.030 0.039 2.950 1.00 2.43 C ATOM 776 C LEU A 51 -2.339 -0.203 3.714 1.00 42.54 C ATOM 777 O LEU A 51 -3.430 -0.071 3.160 1.00 52.34 O ATOM 778 CB LEU A 51 -0.456 -1.298 2.460 1.00 70.24 C ATOM 779 CG LEU A 51 0.723 -1.194 1.478 1.00 2.22 C ATOM 780 CD1 LEU A 51 1.283 -2.579 1.160 1.00 53.14 C ATOM 781 CD2 LEU A 51 0.299 -0.475 0.197 1.00 31.22 C ATOM 0 H LEU A 51 0.782 0.196 4.015 1.00 44.34 H new ATOM 0 HA LEU A 51 -1.246 0.671 2.088 1.00 2.43 H new ATOM 0 HB2 LEU A 51 -0.134 -1.874 3.327 1.00 70.24 H new ATOM 0 HB3 LEU A 51 -1.256 -1.863 1.981 1.00 70.24 H new ATOM 0 HG LEU A 51 1.510 -0.608 1.952 1.00 2.22 H new ATOM 0 HD11 LEU A 51 2.116 -2.484 0.464 1.00 53.14 H new ATOM 0 HD12 LEU A 51 1.630 -3.051 2.079 1.00 53.14 H new ATOM 0 HD13 LEU A 51 0.503 -3.192 0.710 1.00 53.14 H new ATOM 0 HD21 LEU A 51 1.148 -0.413 -0.483 1.00 31.22 H new ATOM 0 HD22 LEU A 51 -0.509 -1.029 -0.281 1.00 31.22 H new ATOM 0 HD23 LEU A 51 -0.045 0.530 0.441 1.00 31.22 H new ATOM 793 N CYS A 52 -2.219 -0.560 4.991 1.00 31.45 N ATOM 794 CA CYS A 52 -3.390 -0.753 5.855 1.00 34.31 C ATOM 795 C CYS A 52 -4.233 0.531 5.936 1.00 13.35 C ATOM 796 O CYS A 52 -5.440 0.512 5.685 1.00 20.34 O ATOM 797 CB CYS A 52 -2.949 -1.182 7.259 1.00 44.03 C ATOM 798 SG CYS A 52 -1.951 -2.692 7.294 1.00 20.12 S ATOM 0 H CYS A 52 -1.325 -0.722 5.454 1.00 31.45 H new ATOM 0 HA CYS A 52 -4.006 -1.540 5.419 1.00 34.31 H new ATOM 0 HB2 CYS A 52 -2.378 -0.372 7.712 1.00 44.03 H new ATOM 0 HB3 CYS A 52 -3.835 -1.331 7.876 1.00 44.03 H new ATOM 0 HG CYS A 52 -0.840 -2.493 6.650 1.00 20.12 H new ATOM 804 N ARG A 53 -3.582 1.647 6.276 1.00 32.20 N ATOM 805 CA ARG A 53 -4.241 2.960 6.295 1.00 32.22 C ATOM 806 C ARG A 53 -4.852 3.297 4.921 1.00 15.30 C ATOM 807 O ARG A 53 -5.975 3.799 4.832 1.00 53.12 O ATOM 808 CB ARG A 53 -3.234 4.046 6.708 1.00 74.54 C ATOM 809 CG ARG A 53 -2.819 3.983 8.177 1.00 71.34 C ATOM 810 CD ARG A 53 -1.716 4.992 8.503 1.00 14.13 C ATOM 811 NE ARG A 53 -1.493 5.116 9.945 1.00 54.33 N ATOM 812 CZ ARG A 53 -0.323 5.075 10.527 1.00 64.42 C ATOM 813 NH1 ARG A 53 0.758 4.905 9.832 1.00 33.32 N ATOM 814 NH2 ARG A 53 -0.237 5.212 11.808 1.00 12.21 N ATOM 0 H ARG A 53 -2.598 1.669 6.543 1.00 32.20 H new ATOM 0 HA ARG A 53 -5.051 2.924 7.024 1.00 32.22 H new ATOM 0 HB2 ARG A 53 -2.344 3.957 6.086 1.00 74.54 H new ATOM 0 HB3 ARG A 53 -3.668 5.025 6.505 1.00 74.54 H new ATOM 0 HG2 ARG A 53 -3.686 4.177 8.808 1.00 71.34 H new ATOM 0 HG3 ARG A 53 -2.472 2.977 8.413 1.00 71.34 H new ATOM 0 HD2 ARG A 53 -0.789 4.685 8.018 1.00 14.13 H new ATOM 0 HD3 ARG A 53 -1.983 5.966 8.093 1.00 14.13 H new ATOM 0 HE ARG A 53 -2.312 5.244 10.540 1.00 54.33 H new ATOM 0 HH11 ARG A 53 0.702 4.801 8.819 1.00 33.32 H new ATOM 0 HH12 ARG A 53 1.665 4.875 10.298 1.00 33.32 H new ATOM 0 HH21 ARG A 53 -1.081 5.352 12.364 1.00 12.21 H new ATOM 0 HH22 ARG A 53 0.675 5.180 12.264 1.00 12.21 H new ATOM 828 N LEU A 54 -4.099 3.012 3.855 1.00 61.42 N ATOM 829 CA LEU A 54 -4.570 3.216 2.477 1.00 23.15 C ATOM 830 C LEU A 54 -5.916 2.523 2.233 1.00 32.33 C ATOM 831 O LEU A 54 -6.869 3.137 1.740 1.00 24.23 O ATOM 832 CB LEU A 54 -3.517 2.692 1.487 1.00 71.44 C ATOM 833 CG LEU A 54 -3.902 2.761 -0.001 1.00 3.25 C ATOM 834 CD1 LEU A 54 -4.178 4.198 -0.432 1.00 42.14 C ATOM 835 CD2 LEU A 54 -2.810 2.137 -0.867 1.00 71.43 C ATOM 0 H LEU A 54 -3.153 2.636 3.918 1.00 61.42 H new ATOM 0 HA LEU A 54 -4.716 4.285 2.323 1.00 23.15 H new ATOM 0 HB2 LEU A 54 -2.597 3.258 1.631 1.00 71.44 H new ATOM 0 HB3 LEU A 54 -3.295 1.655 1.737 1.00 71.44 H new ATOM 0 HG LEU A 54 -4.820 2.189 -0.138 1.00 3.25 H new ATOM 0 HD11 LEU A 54 -4.448 4.216 -1.488 1.00 42.14 H new ATOM 0 HD12 LEU A 54 -4.999 4.604 0.159 1.00 42.14 H new ATOM 0 HD13 LEU A 54 -3.285 4.803 -0.275 1.00 42.14 H new ATOM 0 HD21 LEU A 54 -3.100 2.195 -1.916 1.00 71.43 H new ATOM 0 HD22 LEU A 54 -1.875 2.677 -0.719 1.00 71.43 H new ATOM 0 HD23 LEU A 54 -2.674 1.093 -0.585 1.00 71.43 H new ATOM 847 N LEU A 55 -5.992 1.248 2.594 1.00 0.44 N ATOM 848 CA LEU A 55 -7.217 0.468 2.415 1.00 23.23 C ATOM 849 C LEU A 55 -8.371 1.025 3.266 1.00 54.35 C ATOM 850 O LEU A 55 -9.508 1.083 2.811 1.00 2.51 O ATOM 851 CB LEU A 55 -6.962 -1.007 2.764 1.00 72.42 C ATOM 852 CG LEU A 55 -8.149 -1.958 2.518 1.00 61.24 C ATOM 853 CD1 LEU A 55 -8.539 -1.970 1.041 1.00 25.14 C ATOM 854 CD2 LEU A 55 -7.816 -3.368 2.998 1.00 53.52 C ATOM 0 H LEU A 55 -5.221 0.729 3.013 1.00 0.44 H new ATOM 0 HA LEU A 55 -7.510 0.543 1.368 1.00 23.23 H new ATOM 0 HB2 LEU A 55 -6.110 -1.359 2.182 1.00 72.42 H new ATOM 0 HB3 LEU A 55 -6.679 -1.071 3.815 1.00 72.42 H new ATOM 0 HG LEU A 55 -9.001 -1.592 3.091 1.00 61.24 H new ATOM 0 HD11 LEU A 55 -9.379 -2.648 0.892 1.00 25.14 H new ATOM 0 HD12 LEU A 55 -8.825 -0.965 0.732 1.00 25.14 H new ATOM 0 HD13 LEU A 55 -7.691 -2.306 0.444 1.00 25.14 H new ATOM 0 HD21 LEU A 55 -8.667 -4.025 2.816 1.00 53.52 H new ATOM 0 HD22 LEU A 55 -6.947 -3.741 2.456 1.00 53.52 H new ATOM 0 HD23 LEU A 55 -7.596 -3.347 4.065 1.00 53.52 H new ATOM 866 N GLU A 56 -8.070 1.457 4.491 1.00 22.05 N ATOM 867 CA GLU A 56 -9.108 1.956 5.410 1.00 74.33 C ATOM 868 C GLU A 56 -9.696 3.311 4.974 1.00 41.44 C ATOM 869 O GLU A 56 -10.828 3.642 5.330 1.00 55.13 O ATOM 870 CB GLU A 56 -8.558 2.068 6.835 1.00 32.05 C ATOM 871 CG GLU A 56 -8.137 0.732 7.435 1.00 22.33 C ATOM 872 CD GLU A 56 -7.698 0.856 8.883 1.00 50.23 C ATOM 873 OE1 GLU A 56 -6.584 1.359 9.132 1.00 72.14 O ATOM 874 OE2 GLU A 56 -8.465 0.457 9.783 1.00 42.24 O ATOM 0 H GLU A 56 -7.124 1.474 4.873 1.00 22.05 H new ATOM 0 HA GLU A 56 -9.918 1.227 5.382 1.00 74.33 H new ATOM 0 HB2 GLU A 56 -7.701 2.741 6.832 1.00 32.05 H new ATOM 0 HB3 GLU A 56 -9.317 2.520 7.474 1.00 32.05 H new ATOM 0 HG2 GLU A 56 -8.969 0.030 7.370 1.00 22.33 H new ATOM 0 HG3 GLU A 56 -7.321 0.314 6.846 1.00 22.33 H new ATOM 881 N ARG A 57 -8.930 4.100 4.223 1.00 14.30 N ATOM 882 CA ARG A 57 -9.423 5.391 3.713 1.00 41.23 C ATOM 883 C ARG A 57 -10.382 5.203 2.525 1.00 22.22 C ATOM 884 O ARG A 57 -11.156 6.102 2.186 1.00 64.15 O ATOM 885 CB ARG A 57 -8.245 6.293 3.318 1.00 2.30 C ATOM 886 CG ARG A 57 -7.431 6.786 4.513 1.00 31.33 C ATOM 887 CD ARG A 57 -8.237 7.723 5.408 1.00 33.31 C ATOM 888 NE ARG A 57 -8.507 9.008 4.763 1.00 24.33 N ATOM 889 CZ ARG A 57 -9.615 9.687 4.902 1.00 51.05 C ATOM 890 NH1 ARG A 57 -10.591 9.222 5.616 1.00 10.51 N ATOM 891 NH2 ARG A 57 -9.747 10.841 4.325 1.00 11.35 N ATOM 0 H ARG A 57 -7.972 3.876 3.952 1.00 14.30 H new ATOM 0 HA ARG A 57 -9.984 5.873 4.514 1.00 41.23 H new ATOM 0 HB2 ARG A 57 -7.589 5.745 2.642 1.00 2.30 H new ATOM 0 HB3 ARG A 57 -8.625 7.153 2.767 1.00 2.30 H new ATOM 0 HG2 ARG A 57 -7.091 5.931 5.097 1.00 31.33 H new ATOM 0 HG3 ARG A 57 -6.540 7.303 4.156 1.00 31.33 H new ATOM 0 HD2 ARG A 57 -9.181 7.246 5.673 1.00 33.31 H new ATOM 0 HD3 ARG A 57 -7.693 7.892 6.337 1.00 33.31 H new ATOM 0 HE ARG A 57 -7.781 9.401 4.164 1.00 24.33 H new ATOM 0 HH11 ARG A 57 -10.499 8.317 6.077 1.00 10.51 H new ATOM 0 HH12 ARG A 57 -11.451 9.761 5.717 1.00 10.51 H new ATOM 0 HH21 ARG A 57 -8.986 11.220 3.762 1.00 11.35 H new ATOM 0 HH22 ARG A 57 -10.612 11.370 4.434 1.00 11.35 H new ATOM 905 N LEU A 58 -10.320 4.032 1.900 1.00 54.53 N ATOM 906 CA LEU A 58 -11.228 3.677 0.803 1.00 41.44 C ATOM 907 C LEU A 58 -12.349 2.755 1.313 1.00 14.50 C ATOM 908 O LEU A 58 -13.538 3.051 1.172 1.00 32.44 O ATOM 909 CB LEU A 58 -10.433 2.995 -0.321 1.00 10.01 C ATOM 910 CG LEU A 58 -9.240 3.807 -0.856 1.00 50.14 C ATOM 911 CD1 LEU A 58 -8.451 3.008 -1.889 1.00 14.15 C ATOM 912 CD2 LEU A 58 -9.712 5.138 -1.445 1.00 31.45 C ATOM 0 H LEU A 58 -9.646 3.303 2.134 1.00 54.53 H new ATOM 0 HA LEU A 58 -11.689 4.583 0.410 1.00 41.44 H new ATOM 0 HB2 LEU A 58 -10.066 2.036 0.044 1.00 10.01 H new ATOM 0 HB3 LEU A 58 -11.110 2.784 -1.149 1.00 10.01 H new ATOM 0 HG LEU A 58 -8.576 4.020 -0.018 1.00 50.14 H new ATOM 0 HD11 LEU A 58 -7.614 3.606 -2.250 1.00 14.15 H new ATOM 0 HD12 LEU A 58 -8.073 2.094 -1.431 1.00 14.15 H new ATOM 0 HD13 LEU A 58 -9.101 2.752 -2.725 1.00 14.15 H new ATOM 0 HD21 LEU A 58 -8.853 5.696 -1.817 1.00 31.45 H new ATOM 0 HD22 LEU A 58 -10.404 4.948 -2.265 1.00 31.45 H new ATOM 0 HD23 LEU A 58 -10.215 5.720 -0.673 1.00 31.45 H new ATOM 924 N LEU A 59 -11.948 1.627 1.893 1.00 21.11 N ATOM 925 CA LEU A 59 -12.868 0.713 2.577 1.00 54.14 C ATOM 926 C LEU A 59 -12.721 0.865 4.107 1.00 35.41 C ATOM 927 O LEU A 59 -11.801 0.303 4.714 1.00 42.43 O ATOM 928 CB LEU A 59 -12.585 -0.734 2.144 1.00 32.01 C ATOM 929 CG LEU A 59 -12.689 -0.996 0.632 1.00 3.14 C ATOM 930 CD1 LEU A 59 -12.304 -2.436 0.303 1.00 51.44 C ATOM 931 CD2 LEU A 59 -14.094 -0.684 0.120 1.00 65.43 C ATOM 0 H LEU A 59 -10.976 1.318 1.904 1.00 21.11 H new ATOM 0 HA LEU A 59 -13.893 0.962 2.303 1.00 54.14 H new ATOM 0 HB2 LEU A 59 -11.583 -1.007 2.476 1.00 32.01 H new ATOM 0 HB3 LEU A 59 -13.282 -1.394 2.660 1.00 32.01 H new ATOM 0 HG LEU A 59 -11.988 -0.331 0.127 1.00 3.14 H new ATOM 0 HD11 LEU A 59 -12.385 -2.598 -0.772 1.00 51.44 H new ATOM 0 HD12 LEU A 59 -11.278 -2.620 0.621 1.00 51.44 H new ATOM 0 HD13 LEU A 59 -12.974 -3.120 0.824 1.00 51.44 H new ATOM 0 HD21 LEU A 59 -14.142 -0.877 -0.952 1.00 65.43 H new ATOM 0 HD22 LEU A 59 -14.818 -1.316 0.635 1.00 65.43 H new ATOM 0 HD23 LEU A 59 -14.326 0.364 0.311 1.00 65.43 H new ATOM 943 N PRO A 60 -13.629 1.631 4.751 1.00 25.30 N ATOM 944 CA PRO A 60 -13.476 2.054 6.159 1.00 51.52 C ATOM 945 C PRO A 60 -13.348 0.891 7.161 1.00 33.45 C ATOM 946 O PRO A 60 -14.331 0.228 7.496 1.00 34.53 O ATOM 947 CB PRO A 60 -14.753 2.873 6.433 1.00 31.14 C ATOM 948 CG PRO A 60 -15.718 2.445 5.379 1.00 32.13 C ATOM 949 CD PRO A 60 -14.886 2.133 4.167 1.00 22.45 C ATOM 0 HA PRO A 60 -12.549 2.611 6.295 1.00 51.52 H new ATOM 0 HB2 PRO A 60 -15.144 2.673 7.431 1.00 31.14 H new ATOM 0 HB3 PRO A 60 -14.555 3.943 6.376 1.00 31.14 H new ATOM 0 HG2 PRO A 60 -16.286 1.571 5.700 1.00 32.13 H new ATOM 0 HG3 PRO A 60 -16.440 3.233 5.166 1.00 32.13 H new ATOM 0 HD2 PRO A 60 -15.362 1.387 3.531 1.00 22.45 H new ATOM 0 HD3 PRO A 60 -14.721 3.017 3.552 1.00 22.45 H new ATOM 957 N GLY A 61 -12.120 0.640 7.621 1.00 53.23 N ATOM 958 CA GLY A 61 -11.892 -0.328 8.691 1.00 51.02 C ATOM 959 C GLY A 61 -11.944 -1.790 8.249 1.00 22.21 C ATOM 960 O GLY A 61 -12.255 -2.669 9.052 1.00 65.32 O ATOM 0 H GLY A 61 -11.275 1.091 7.271 1.00 53.23 H new ATOM 0 HA2 GLY A 61 -10.918 -0.132 9.139 1.00 51.02 H new ATOM 0 HA3 GLY A 61 -12.638 -0.171 9.470 1.00 51.02 H new ATOM 964 N THR A 62 -11.644 -2.063 6.979 1.00 64.14 N ATOM 965 CA THR A 62 -11.590 -3.454 6.491 1.00 73.50 C ATOM 966 C THR A 62 -10.442 -4.236 7.156 1.00 31.51 C ATOM 967 O THR A 62 -10.535 -5.448 7.361 1.00 2.20 O ATOM 968 CB THR A 62 -11.432 -3.516 4.949 1.00 72.20 C ATOM 969 OG1 THR A 62 -12.551 -2.882 4.310 1.00 0.41 O ATOM 970 CG2 THR A 62 -11.326 -4.957 4.451 1.00 24.02 C ATOM 0 H THR A 62 -11.436 -1.356 6.274 1.00 64.14 H new ATOM 0 HA THR A 62 -12.539 -3.917 6.762 1.00 73.50 H new ATOM 0 HB THR A 62 -10.510 -2.992 4.696 1.00 72.20 H new ATOM 0 HG1 THR A 62 -12.814 -3.400 3.521 1.00 0.41 H new ATOM 0 HG21 THR A 62 -11.216 -4.960 3.367 1.00 24.02 H new ATOM 0 HG22 THR A 62 -10.458 -5.436 4.905 1.00 24.02 H new ATOM 0 HG23 THR A 62 -12.228 -5.504 4.726 1.00 24.02 H new ATOM 978 N ILE A 63 -9.365 -3.528 7.498 1.00 35.31 N ATOM 979 CA ILE A 63 -8.221 -4.126 8.203 1.00 41.30 C ATOM 980 C ILE A 63 -8.638 -4.671 9.582 1.00 73.30 C ATOM 981 O ILE A 63 -9.218 -3.948 10.396 1.00 60.34 O ATOM 982 CB ILE A 63 -7.085 -3.087 8.386 1.00 14.31 C ATOM 983 CG1 ILE A 63 -6.606 -2.567 7.018 1.00 54.42 C ATOM 984 CG2 ILE A 63 -5.918 -3.683 9.177 1.00 31.10 C ATOM 985 CD1 ILE A 63 -6.009 -3.636 6.124 1.00 24.22 C ATOM 0 H ILE A 63 -9.257 -2.534 7.299 1.00 35.31 H new ATOM 0 HA ILE A 63 -7.860 -4.953 7.592 1.00 41.30 H new ATOM 0 HB ILE A 63 -7.482 -2.247 8.956 1.00 14.31 H new ATOM 0 HG12 ILE A 63 -7.448 -2.105 6.502 1.00 54.42 H new ATOM 0 HG13 ILE A 63 -5.863 -1.786 7.178 1.00 54.42 H new ATOM 0 HG21 ILE A 63 -5.135 -2.933 9.291 1.00 31.10 H new ATOM 0 HG22 ILE A 63 -6.267 -3.995 10.161 1.00 31.10 H new ATOM 0 HG23 ILE A 63 -5.519 -4.546 8.643 1.00 31.10 H new ATOM 0 HD11 ILE A 63 -5.697 -3.188 5.180 1.00 24.22 H new ATOM 0 HD12 ILE A 63 -5.146 -4.082 6.617 1.00 24.22 H new ATOM 0 HD13 ILE A 63 -6.755 -4.407 5.930 1.00 24.22 H new ATOM 997 N GLU A 64 -8.322 -5.937 9.842 1.00 14.35 N ATOM 998 CA GLU A 64 -8.722 -6.607 11.084 1.00 44.12 C ATOM 999 C GLU A 64 -7.659 -6.460 12.184 1.00 1.11 C ATOM 1000 O GLU A 64 -7.979 -6.163 13.337 1.00 72.43 O ATOM 1001 CB GLU A 64 -8.991 -8.092 10.806 1.00 12.00 C ATOM 1002 CG GLU A 64 -9.443 -8.882 12.028 1.00 0.32 C ATOM 1003 CD GLU A 64 -9.779 -10.325 11.692 1.00 33.21 C ATOM 1004 OE1 GLU A 64 -10.832 -10.555 11.058 1.00 54.04 O ATOM 1005 OE2 GLU A 64 -8.989 -11.228 12.046 1.00 41.23 O ATOM 0 H GLU A 64 -7.786 -6.527 9.205 1.00 14.35 H new ATOM 0 HA GLU A 64 -9.632 -6.128 11.444 1.00 44.12 H new ATOM 0 HB2 GLU A 64 -9.754 -8.173 10.032 1.00 12.00 H new ATOM 0 HB3 GLU A 64 -8.084 -8.546 10.408 1.00 12.00 H new ATOM 0 HG2 GLU A 64 -8.656 -8.861 12.782 1.00 0.32 H new ATOM 0 HG3 GLU A 64 -10.317 -8.400 12.466 1.00 0.32 H new ATOM 1012 N LYS A 65 -6.393 -6.679 11.830 1.00 14.21 N ATOM 1013 CA LYS A 65 -5.300 -6.577 12.802 1.00 53.33 C ATOM 1014 C LYS A 65 -3.989 -6.114 12.147 1.00 21.23 C ATOM 1015 O LYS A 65 -3.293 -6.896 11.497 1.00 14.40 O ATOM 1016 CB LYS A 65 -5.095 -7.925 13.512 1.00 65.23 C ATOM 1017 CG LYS A 65 -4.042 -7.895 14.622 1.00 23.41 C ATOM 1018 CD LYS A 65 -4.408 -6.908 15.730 1.00 64.23 C ATOM 1019 CE LYS A 65 -3.371 -6.903 16.849 1.00 13.04 C ATOM 1020 NZ LYS A 65 -3.315 -8.204 17.566 1.00 32.12 N ATOM 0 H LYS A 65 -6.098 -6.926 10.885 1.00 14.21 H new ATOM 0 HA LYS A 65 -5.582 -5.822 13.536 1.00 53.33 H new ATOM 0 HB2 LYS A 65 -6.046 -8.247 13.937 1.00 65.23 H new ATOM 0 HB3 LYS A 65 -4.806 -8.672 12.773 1.00 65.23 H new ATOM 0 HG2 LYS A 65 -3.934 -8.893 15.046 1.00 23.41 H new ATOM 0 HG3 LYS A 65 -3.076 -7.622 14.198 1.00 23.41 H new ATOM 0 HD2 LYS A 65 -4.495 -5.906 15.310 1.00 64.23 H new ATOM 0 HD3 LYS A 65 -5.384 -7.167 16.140 1.00 64.23 H new ATOM 0 HE2 LYS A 65 -2.390 -6.677 16.432 1.00 13.04 H new ATOM 0 HE3 LYS A 65 -3.607 -6.109 17.558 1.00 13.04 H new ATOM 0 HZ1 LYS A 65 -2.741 -8.101 18.427 1.00 32.12 H new ATOM 0 HZ2 LYS A 65 -4.278 -8.499 17.825 1.00 32.12 H new ATOM 0 HZ3 LYS A 65 -2.887 -8.923 16.948 1.00 32.12 H new ATOM 1034 N VAL A 66 -3.660 -4.838 12.327 1.00 42.01 N ATOM 1035 CA VAL A 66 -2.402 -4.275 11.821 1.00 32.24 C ATOM 1036 C VAL A 66 -1.403 -4.044 12.967 1.00 35.11 C ATOM 1037 O VAL A 66 -1.797 -3.739 14.096 1.00 5.11 O ATOM 1038 CB VAL A 66 -2.642 -2.935 11.074 1.00 70.50 C ATOM 1039 CG1 VAL A 66 -3.254 -1.892 12.006 1.00 53.22 C ATOM 1040 CG2 VAL A 66 -1.347 -2.414 10.448 1.00 41.01 C ATOM 0 H VAL A 66 -4.248 -4.167 12.822 1.00 42.01 H new ATOM 0 HA VAL A 66 -1.986 -4.999 11.121 1.00 32.24 H new ATOM 0 HB VAL A 66 -3.351 -3.125 10.268 1.00 70.50 H new ATOM 0 HG11 VAL A 66 -3.412 -0.963 11.458 1.00 53.22 H new ATOM 0 HG12 VAL A 66 -4.209 -2.257 12.384 1.00 53.22 H new ATOM 0 HG13 VAL A 66 -2.579 -1.710 12.842 1.00 53.22 H new ATOM 0 HG21 VAL A 66 -1.545 -1.475 9.931 1.00 41.01 H new ATOM 0 HG22 VAL A 66 -0.606 -2.249 11.230 1.00 41.01 H new ATOM 0 HG23 VAL A 66 -0.967 -3.146 9.736 1.00 41.01 H new ATOM 1050 N TYR A 67 -0.116 -4.207 12.682 1.00 61.21 N ATOM 1051 CA TYR A 67 0.933 -3.958 13.675 1.00 20.33 C ATOM 1052 C TYR A 67 1.622 -2.608 13.398 1.00 22.05 C ATOM 1053 O TYR A 67 2.474 -2.513 12.512 1.00 23.25 O ATOM 1054 CB TYR A 67 1.967 -5.096 13.657 1.00 31.53 C ATOM 1055 CG TYR A 67 1.353 -6.488 13.593 1.00 54.02 C ATOM 1056 CD1 TYR A 67 0.274 -6.846 14.399 1.00 12.10 C ATOM 1057 CD2 TYR A 67 1.848 -7.439 12.709 1.00 11.13 C ATOM 1058 CE1 TYR A 67 -0.283 -8.110 14.325 1.00 15.44 C ATOM 1059 CE2 TYR A 67 1.295 -8.700 12.630 1.00 75.34 C ATOM 1060 CZ TYR A 67 0.232 -9.032 13.437 1.00 11.31 C ATOM 1061 OH TYR A 67 -0.326 -10.291 13.346 1.00 24.51 O ATOM 0 H TYR A 67 0.230 -4.511 11.772 1.00 61.21 H new ATOM 0 HA TYR A 67 0.474 -3.920 14.663 1.00 20.33 H new ATOM 0 HB2 TYR A 67 2.626 -4.961 12.800 1.00 31.53 H new ATOM 0 HB3 TYR A 67 2.587 -5.024 14.550 1.00 31.53 H new ATOM 0 HD1 TYR A 67 -0.134 -6.125 15.092 1.00 12.10 H new ATOM 0 HD2 TYR A 67 2.682 -7.186 12.071 1.00 11.13 H new ATOM 0 HE1 TYR A 67 -1.117 -8.374 14.959 1.00 15.44 H new ATOM 0 HE2 TYR A 67 1.696 -9.425 11.936 1.00 75.34 H new ATOM 0 HH TYR A 67 0.156 -10.814 12.672 1.00 24.51 H new ATOM 1071 N PRO A 68 1.260 -1.540 14.148 1.00 53.21 N ATOM 1072 CA PRO A 68 1.810 -0.184 13.922 1.00 42.43 C ATOM 1073 C PRO A 68 3.314 -0.088 14.226 1.00 24.01 C ATOM 1074 O PRO A 68 3.993 0.844 13.790 1.00 74.41 O ATOM 1075 CB PRO A 68 1.000 0.694 14.889 1.00 45.44 C ATOM 1076 CG PRO A 68 0.531 -0.241 15.952 1.00 70.22 C ATOM 1077 CD PRO A 68 0.291 -1.560 15.263 1.00 32.23 C ATOM 0 HA PRO A 68 1.725 0.117 12.878 1.00 42.43 H new ATOM 0 HB2 PRO A 68 1.614 1.492 15.307 1.00 45.44 H new ATOM 0 HB3 PRO A 68 0.160 1.170 14.382 1.00 45.44 H new ATOM 0 HG2 PRO A 68 1.277 -0.342 16.741 1.00 70.22 H new ATOM 0 HG3 PRO A 68 -0.382 0.127 16.421 1.00 70.22 H new ATOM 0 HD2 PRO A 68 0.466 -2.402 15.933 1.00 32.23 H new ATOM 0 HD3 PRO A 68 -0.734 -1.646 14.904 1.00 32.23 H new ATOM 1085 N GLU A 69 3.827 -1.055 14.982 1.00 72.40 N ATOM 1086 CA GLU A 69 5.257 -1.127 15.296 1.00 4.05 C ATOM 1087 C GLU A 69 5.813 -2.534 15.004 1.00 61.41 C ATOM 1088 O GLU A 69 6.021 -3.330 15.921 1.00 11.40 O ATOM 1089 CB GLU A 69 5.501 -0.760 16.768 1.00 2.53 C ATOM 1090 CG GLU A 69 5.107 0.670 17.125 1.00 4.35 C ATOM 1091 CD GLU A 69 5.310 0.991 18.597 1.00 21.20 C ATOM 1092 OE1 GLU A 69 6.473 1.071 19.036 1.00 24.00 O ATOM 1093 OE2 GLU A 69 4.307 1.183 19.318 1.00 34.21 O ATOM 0 H GLU A 69 3.272 -1.806 15.392 1.00 72.40 H new ATOM 0 HA GLU A 69 5.779 -0.411 14.661 1.00 4.05 H new ATOM 0 HB2 GLU A 69 4.941 -1.449 17.401 1.00 2.53 H new ATOM 0 HB3 GLU A 69 6.557 -0.903 16.997 1.00 2.53 H new ATOM 0 HG2 GLU A 69 5.694 1.364 16.523 1.00 4.35 H new ATOM 0 HG3 GLU A 69 4.060 0.829 16.865 1.00 4.35 H new ATOM 1100 N PRO A 70 6.037 -2.869 13.719 1.00 52.50 N ATOM 1101 CA PRO A 70 6.544 -4.193 13.324 1.00 40.11 C ATOM 1102 C PRO A 70 8.039 -4.376 13.641 1.00 45.01 C ATOM 1103 O PRO A 70 8.897 -3.699 13.073 1.00 64.21 O ATOM 1104 CB PRO A 70 6.292 -4.224 11.811 1.00 24.13 C ATOM 1105 CG PRO A 70 6.345 -2.793 11.389 1.00 32.14 C ATOM 1106 CD PRO A 70 5.814 -1.989 12.552 1.00 23.32 C ATOM 0 HA PRO A 70 6.053 -5.000 13.867 1.00 40.11 H new ATOM 0 HB2 PRO A 70 7.048 -4.817 11.296 1.00 24.13 H new ATOM 0 HB3 PRO A 70 5.325 -4.670 11.580 1.00 24.13 H new ATOM 0 HG2 PRO A 70 7.365 -2.497 11.145 1.00 32.14 H new ATOM 0 HG3 PRO A 70 5.743 -2.628 10.495 1.00 32.14 H new ATOM 0 HD2 PRO A 70 6.343 -1.042 12.658 1.00 23.32 H new ATOM 0 HD3 PRO A 70 4.758 -1.752 12.426 1.00 23.32 H new ATOM 1114 N ARG A 71 8.347 -5.297 14.553 1.00 14.24 N ATOM 1115 CA ARG A 71 9.734 -5.562 14.951 1.00 3.23 C ATOM 1116 C ARG A 71 10.398 -6.563 13.991 1.00 33.51 C ATOM 1117 O ARG A 71 11.531 -6.365 13.543 1.00 63.25 O ATOM 1118 CB ARG A 71 9.779 -6.122 16.382 1.00 12.53 C ATOM 1119 CG ARG A 71 8.984 -5.311 17.400 1.00 1.03 C ATOM 1120 CD ARG A 71 9.498 -3.883 17.533 1.00 71.24 C ATOM 1121 NE ARG A 71 8.721 -3.122 18.511 1.00 61.24 N ATOM 1122 CZ ARG A 71 8.630 -1.820 18.529 1.00 13.54 C ATOM 1123 NH1 ARG A 71 9.259 -1.095 17.656 1.00 20.42 N ATOM 1124 NH2 ARG A 71 7.907 -1.241 19.430 1.00 24.54 N ATOM 0 H ARG A 71 7.656 -5.874 15.032 1.00 14.24 H new ATOM 0 HA ARG A 71 10.281 -4.620 14.911 1.00 3.23 H new ATOM 0 HB2 ARG A 71 9.398 -7.143 16.372 1.00 12.53 H new ATOM 0 HB3 ARG A 71 10.818 -6.172 16.707 1.00 12.53 H new ATOM 0 HG2 ARG A 71 7.935 -5.291 17.105 1.00 1.03 H new ATOM 0 HG3 ARG A 71 9.033 -5.804 18.371 1.00 1.03 H new ATOM 0 HD2 ARG A 71 10.546 -3.899 17.832 1.00 71.24 H new ATOM 0 HD3 ARG A 71 9.451 -3.387 16.564 1.00 71.24 H new ATOM 0 HE ARG A 71 8.216 -3.644 19.227 1.00 61.24 H new ATOM 0 HH11 ARG A 71 9.835 -1.541 16.942 1.00 20.42 H new ATOM 0 HH12 ARG A 71 9.178 -0.079 17.683 1.00 20.42 H new ATOM 0 HH21 ARG A 71 7.411 -1.801 20.123 1.00 24.54 H new ATOM 0 HH22 ARG A 71 7.833 -0.224 19.448 1.00 24.54 H new ATOM 1138 N SER A 72 9.674 -7.636 13.682 1.00 31.41 N ATOM 1139 CA SER A 72 10.188 -8.713 12.825 1.00 70.44 C ATOM 1140 C SER A 72 9.582 -8.659 11.414 1.00 41.43 C ATOM 1141 O SER A 72 8.507 -8.090 11.208 1.00 50.45 O ATOM 1142 CB SER A 72 9.886 -10.078 13.457 1.00 33.32 C ATOM 1143 OG SER A 72 10.410 -10.170 14.774 1.00 13.50 O ATOM 0 H SER A 72 8.721 -7.788 14.013 1.00 31.41 H new ATOM 0 HA SER A 72 11.265 -8.574 12.737 1.00 70.44 H new ATOM 0 HB2 SER A 72 8.808 -10.238 13.481 1.00 33.32 H new ATOM 0 HB3 SER A 72 10.312 -10.868 12.839 1.00 33.32 H new ATOM 0 HG SER A 72 10.199 -11.050 15.149 1.00 13.50 H new ATOM 1149 N GLU A 73 10.274 -9.280 10.457 1.00 42.24 N ATOM 1150 CA GLU A 73 9.830 -9.329 9.054 1.00 12.43 C ATOM 1151 C GLU A 73 8.375 -9.819 8.927 1.00 52.04 C ATOM 1152 O GLU A 73 7.563 -9.210 8.223 1.00 73.31 O ATOM 1153 CB GLU A 73 10.764 -10.247 8.247 1.00 41.55 C ATOM 1154 CG GLU A 73 10.355 -10.423 6.789 1.00 43.11 C ATOM 1155 CD GLU A 73 11.248 -11.397 6.036 1.00 55.10 C ATOM 1156 OE1 GLU A 73 11.290 -12.588 6.410 1.00 3.43 O ATOM 1157 OE2 GLU A 73 11.902 -10.986 5.058 1.00 51.52 O ATOM 0 H GLU A 73 11.156 -9.763 10.627 1.00 42.24 H new ATOM 0 HA GLU A 73 9.871 -8.315 8.656 1.00 12.43 H new ATOM 0 HB2 GLU A 73 11.775 -9.841 8.283 1.00 41.55 H new ATOM 0 HB3 GLU A 73 10.796 -11.226 8.725 1.00 41.55 H new ATOM 0 HG2 GLU A 73 9.325 -10.776 6.746 1.00 43.11 H new ATOM 0 HG3 GLU A 73 10.381 -9.454 6.290 1.00 43.11 H new ATOM 1164 N SER A 74 8.053 -10.909 9.624 1.00 23.42 N ATOM 1165 CA SER A 74 6.708 -11.515 9.570 1.00 1.32 C ATOM 1166 C SER A 74 5.599 -10.487 9.842 1.00 25.15 C ATOM 1167 O SER A 74 4.525 -10.540 9.241 1.00 13.31 O ATOM 1168 CB SER A 74 6.593 -12.661 10.587 1.00 13.02 C ATOM 1169 OG SER A 74 7.647 -13.600 10.433 1.00 11.11 O ATOM 0 H SER A 74 8.704 -11.398 10.238 1.00 23.42 H new ATOM 0 HA SER A 74 6.576 -11.900 8.559 1.00 1.32 H new ATOM 0 HB2 SER A 74 6.611 -12.255 11.598 1.00 13.02 H new ATOM 0 HB3 SER A 74 5.634 -13.165 10.463 1.00 13.02 H new ATOM 0 HG SER A 74 7.547 -14.316 11.095 1.00 11.11 H new ATOM 1175 N GLU A 75 5.869 -9.543 10.744 1.00 20.54 N ATOM 1176 CA GLU A 75 4.890 -8.511 11.102 1.00 11.21 C ATOM 1177 C GLU A 75 4.647 -7.545 9.934 1.00 45.22 C ATOM 1178 O GLU A 75 3.502 -7.318 9.536 1.00 24.13 O ATOM 1179 CB GLU A 75 5.358 -7.737 12.340 1.00 43.34 C ATOM 1180 CG GLU A 75 5.488 -8.603 13.589 1.00 22.22 C ATOM 1181 CD GLU A 75 5.929 -7.811 14.807 1.00 43.52 C ATOM 1182 OE1 GLU A 75 5.067 -7.213 15.481 1.00 4.10 O ATOM 1183 OE2 GLU A 75 7.142 -7.781 15.094 1.00 31.40 O ATOM 0 H GLU A 75 6.757 -9.470 11.241 1.00 20.54 H new ATOM 0 HA GLU A 75 3.948 -9.009 11.330 1.00 11.21 H new ATOM 0 HB2 GLU A 75 6.322 -7.275 12.126 1.00 43.34 H new ATOM 0 HB3 GLU A 75 4.655 -6.929 12.540 1.00 43.34 H new ATOM 0 HG2 GLU A 75 4.530 -9.079 13.798 1.00 22.22 H new ATOM 0 HG3 GLU A 75 6.206 -9.401 13.400 1.00 22.22 H new ATOM 1190 N CYS A 76 5.727 -6.984 9.385 1.00 61.02 N ATOM 1191 CA CYS A 76 5.634 -6.095 8.215 1.00 4.15 C ATOM 1192 C CYS A 76 4.865 -6.770 7.071 1.00 64.13 C ATOM 1193 O CYS A 76 3.966 -6.178 6.472 1.00 55.31 O ATOM 1194 CB CYS A 76 7.036 -5.708 7.723 1.00 73.24 C ATOM 1195 SG CYS A 76 8.050 -4.853 8.954 1.00 54.41 S ATOM 0 H CYS A 76 6.677 -7.127 9.728 1.00 61.02 H new ATOM 0 HA CYS A 76 5.096 -5.198 8.522 1.00 4.15 H new ATOM 0 HB2 CYS A 76 7.558 -6.610 7.404 1.00 73.24 H new ATOM 0 HB3 CYS A 76 6.936 -5.070 6.845 1.00 73.24 H new ATOM 0 HG CYS A 76 8.270 -3.633 8.563 1.00 54.41 H new ATOM 1201 N LEU A 77 5.226 -8.021 6.789 1.00 53.00 N ATOM 1202 CA LEU A 77 4.564 -8.808 5.745 1.00 22.14 C ATOM 1203 C LEU A 77 3.083 -9.054 6.076 1.00 31.03 C ATOM 1204 O LEU A 77 2.224 -9.008 5.194 1.00 62.42 O ATOM 1205 CB LEU A 77 5.297 -10.146 5.558 1.00 2.14 C ATOM 1206 CG LEU A 77 6.787 -10.028 5.193 1.00 41.11 C ATOM 1207 CD1 LEU A 77 7.430 -11.403 5.053 1.00 34.02 C ATOM 1208 CD2 LEU A 77 6.968 -9.221 3.914 1.00 61.44 C ATOM 0 H LEU A 77 5.977 -8.515 7.271 1.00 53.00 H new ATOM 0 HA LEU A 77 4.604 -8.239 4.816 1.00 22.14 H new ATOM 0 HB2 LEU A 77 5.209 -10.723 6.479 1.00 2.14 H new ATOM 0 HB3 LEU A 77 4.791 -10.714 4.777 1.00 2.14 H new ATOM 0 HG LEU A 77 7.288 -9.502 6.006 1.00 41.11 H new ATOM 0 HD11 LEU A 77 8.483 -11.288 4.795 1.00 34.02 H new ATOM 0 HD12 LEU A 77 7.345 -11.942 5.996 1.00 34.02 H new ATOM 0 HD13 LEU A 77 6.923 -11.964 4.268 1.00 34.02 H new ATOM 0 HD21 LEU A 77 8.029 -9.151 3.675 1.00 61.44 H new ATOM 0 HD22 LEU A 77 6.444 -9.714 3.095 1.00 61.44 H new ATOM 0 HD23 LEU A 77 6.561 -8.220 4.055 1.00 61.44 H new ATOM 1220 N SER A 78 2.790 -9.307 7.354 1.00 43.44 N ATOM 1221 CA SER A 78 1.406 -9.518 7.811 1.00 55.45 C ATOM 1222 C SER A 78 0.536 -8.286 7.529 1.00 10.42 C ATOM 1223 O SER A 78 -0.596 -8.406 7.051 1.00 52.14 O ATOM 1224 CB SER A 78 1.369 -9.848 9.311 1.00 14.53 C ATOM 1225 OG SER A 78 0.046 -10.142 9.746 1.00 1.20 O ATOM 0 H SER A 78 3.489 -9.372 8.094 1.00 43.44 H new ATOM 0 HA SER A 78 1.003 -10.363 7.254 1.00 55.45 H new ATOM 0 HB2 SER A 78 2.018 -10.700 9.514 1.00 14.53 H new ATOM 0 HB3 SER A 78 1.762 -9.006 9.880 1.00 14.53 H new ATOM 0 HG SER A 78 -0.065 -9.852 10.676 1.00 1.20 H new ATOM 1231 N ASN A 79 1.077 -7.099 7.816 1.00 2.05 N ATOM 1232 CA ASN A 79 0.382 -5.837 7.525 1.00 1.42 C ATOM 1233 C ASN A 79 0.028 -5.742 6.031 1.00 65.34 C ATOM 1234 O ASN A 79 -1.065 -5.302 5.656 1.00 71.23 O ATOM 1235 CB ASN A 79 1.252 -4.641 7.930 1.00 62.04 C ATOM 1236 CG ASN A 79 1.630 -4.655 9.401 1.00 61.21 C ATOM 1237 OD1 ASN A 79 0.911 -5.187 10.237 1.00 14.40 O ATOM 1238 ND2 ASN A 79 2.761 -4.064 9.731 1.00 13.25 N ATOM 0 H ASN A 79 1.993 -6.983 8.249 1.00 2.05 H new ATOM 0 HA ASN A 79 -0.541 -5.818 8.105 1.00 1.42 H new ATOM 0 HB2 ASN A 79 2.160 -4.638 7.327 1.00 62.04 H new ATOM 0 HB3 ASN A 79 0.718 -3.718 7.706 1.00 62.04 H new ATOM 0 HD21 ASN A 79 3.059 -4.041 10.706 1.00 13.25 H new ATOM 0 HD22 ASN A 79 3.338 -3.630 9.011 1.00 13.25 H new ATOM 1245 N ILE A 80 0.962 -6.167 5.180 1.00 4.32 N ATOM 1246 CA ILE A 80 0.726 -6.221 3.736 1.00 32.54 C ATOM 1247 C ILE A 80 -0.360 -7.259 3.399 1.00 55.14 C ATOM 1248 O ILE A 80 -1.217 -7.024 2.548 1.00 11.13 O ATOM 1249 CB ILE A 80 2.023 -6.570 2.962 1.00 63.31 C ATOM 1250 CG1 ILE A 80 3.149 -5.584 3.324 1.00 33.30 C ATOM 1251 CG2 ILE A 80 1.767 -6.568 1.452 1.00 33.23 C ATOM 1252 CD1 ILE A 80 4.485 -5.914 2.688 1.00 11.12 C ATOM 0 H ILE A 80 1.890 -6.479 5.465 1.00 4.32 H new ATOM 0 HA ILE A 80 0.390 -5.231 3.428 1.00 32.54 H new ATOM 0 HB ILE A 80 2.338 -7.572 3.253 1.00 63.31 H new ATOM 0 HG12 ILE A 80 2.851 -4.581 3.020 1.00 33.30 H new ATOM 0 HG13 ILE A 80 3.268 -5.566 4.407 1.00 33.30 H new ATOM 0 HG21 ILE A 80 2.689 -6.815 0.926 1.00 33.23 H new ATOM 0 HG22 ILE A 80 1.003 -7.307 1.212 1.00 33.23 H new ATOM 0 HG23 ILE A 80 1.426 -5.580 1.142 1.00 33.23 H new ATOM 0 HD11 ILE A 80 5.225 -5.174 2.991 1.00 11.12 H new ATOM 0 HD12 ILE A 80 4.808 -6.904 3.012 1.00 11.12 H new ATOM 0 HD13 ILE A 80 4.384 -5.902 1.603 1.00 11.12 H new ATOM 1264 N ARG A 81 -0.326 -8.404 4.090 1.00 23.34 N ATOM 1265 CA ARG A 81 -1.312 -9.472 3.870 1.00 33.14 C ATOM 1266 C ARG A 81 -2.733 -9.023 4.259 1.00 30.51 C ATOM 1267 O ARG A 81 -3.710 -9.480 3.670 1.00 32.31 O ATOM 1268 CB ARG A 81 -0.923 -10.743 4.643 1.00 22.01 C ATOM 1269 CG ARG A 81 0.401 -11.367 4.194 1.00 60.21 C ATOM 1270 CD ARG A 81 0.353 -11.869 2.749 1.00 30.21 C ATOM 1271 NE ARG A 81 1.647 -12.405 2.312 1.00 65.45 N ATOM 1272 CZ ARG A 81 1.868 -12.953 1.143 1.00 13.04 C ATOM 1273 NH1 ARG A 81 0.908 -13.113 0.290 1.00 30.25 N ATOM 1274 NH2 ARG A 81 3.060 -13.356 0.838 1.00 74.34 N ATOM 0 H ARG A 81 0.371 -8.616 4.804 1.00 23.34 H new ATOM 0 HA ARG A 81 -1.313 -9.698 2.804 1.00 33.14 H new ATOM 0 HB2 ARG A 81 -0.858 -10.504 5.705 1.00 22.01 H new ATOM 0 HB3 ARG A 81 -1.717 -11.481 4.530 1.00 22.01 H new ATOM 0 HG2 ARG A 81 1.198 -10.630 4.293 1.00 60.21 H new ATOM 0 HG3 ARG A 81 0.650 -12.197 4.855 1.00 60.21 H new ATOM 0 HD2 ARG A 81 -0.409 -12.643 2.659 1.00 30.21 H new ATOM 0 HD3 ARG A 81 0.058 -11.052 2.091 1.00 30.21 H new ATOM 0 HE ARG A 81 2.429 -12.347 2.964 1.00 65.45 H new ATOM 0 HH11 ARG A 81 -0.038 -12.811 0.524 1.00 30.25 H new ATOM 0 HH12 ARG A 81 1.097 -13.542 -0.616 1.00 30.25 H new ATOM 0 HH21 ARG A 81 3.822 -13.246 1.507 1.00 74.34 H new ATOM 0 HH22 ARG A 81 3.237 -13.783 -0.071 1.00 74.34 H new ATOM 1288 N GLU A 82 -2.848 -8.141 5.254 1.00 44.21 N ATOM 1289 CA GLU A 82 -4.142 -7.522 5.589 1.00 2.14 C ATOM 1290 C GLU A 82 -4.660 -6.669 4.421 1.00 3.20 C ATOM 1291 O GLU A 82 -5.841 -6.729 4.063 1.00 72.40 O ATOM 1292 CB GLU A 82 -4.023 -6.659 6.857 1.00 55.11 C ATOM 1293 CG GLU A 82 -3.965 -7.462 8.154 1.00 10.23 C ATOM 1294 CD GLU A 82 -5.250 -8.235 8.426 1.00 23.33 C ATOM 1295 OE1 GLU A 82 -6.214 -7.630 8.945 1.00 44.22 O ATOM 1296 OE2 GLU A 82 -5.304 -9.451 8.121 1.00 30.34 O ATOM 0 H GLU A 82 -2.070 -7.838 5.840 1.00 44.21 H new ATOM 0 HA GLU A 82 -4.855 -8.324 5.777 1.00 2.14 H new ATOM 0 HB2 GLU A 82 -3.126 -6.044 6.782 1.00 55.11 H new ATOM 0 HB3 GLU A 82 -4.873 -5.978 6.901 1.00 55.11 H new ATOM 0 HG2 GLU A 82 -3.129 -8.160 8.107 1.00 10.23 H new ATOM 0 HG3 GLU A 82 -3.769 -6.786 8.986 1.00 10.23 H new ATOM 1303 N PHE A 83 -3.765 -5.882 3.828 1.00 73.14 N ATOM 1304 CA PHE A 83 -4.091 -5.086 2.638 1.00 10.53 C ATOM 1305 C PHE A 83 -4.564 -5.988 1.485 1.00 41.24 C ATOM 1306 O PHE A 83 -5.602 -5.740 0.865 1.00 41.43 O ATOM 1307 CB PHE A 83 -2.860 -4.272 2.210 1.00 55.22 C ATOM 1308 CG PHE A 83 -3.043 -3.502 0.925 1.00 54.20 C ATOM 1309 CD1 PHE A 83 -3.804 -2.343 0.896 1.00 3.21 C ATOM 1310 CD2 PHE A 83 -2.451 -3.938 -0.254 1.00 3.50 C ATOM 1311 CE1 PHE A 83 -3.969 -1.636 -0.278 1.00 10.33 C ATOM 1312 CE2 PHE A 83 -2.614 -3.234 -1.429 1.00 40.34 C ATOM 1313 CZ PHE A 83 -3.374 -2.082 -1.442 1.00 70.12 C ATOM 0 H PHE A 83 -2.803 -5.776 4.151 1.00 73.14 H new ATOM 0 HA PHE A 83 -4.905 -4.405 2.886 1.00 10.53 H new ATOM 0 HB2 PHE A 83 -2.606 -3.572 3.006 1.00 55.22 H new ATOM 0 HB3 PHE A 83 -2.013 -4.948 2.098 1.00 55.22 H new ATOM 0 HD1 PHE A 83 -4.273 -1.990 1.802 1.00 3.21 H new ATOM 0 HD2 PHE A 83 -1.856 -4.839 -0.250 1.00 3.50 H new ATOM 0 HE1 PHE A 83 -4.563 -0.734 -0.286 1.00 10.33 H new ATOM 0 HE2 PHE A 83 -2.147 -3.584 -2.338 1.00 40.34 H new ATOM 0 HZ PHE A 83 -3.503 -1.530 -2.361 1.00 70.12 H new ATOM 1323 N LEU A 84 -3.795 -7.039 1.216 1.00 73.05 N ATOM 1324 CA LEU A 84 -4.131 -8.013 0.172 1.00 31.42 C ATOM 1325 C LEU A 84 -5.460 -8.727 0.477 1.00 64.20 C ATOM 1326 O LEU A 84 -6.287 -8.939 -0.413 1.00 13.14 O ATOM 1327 CB LEU A 84 -3.003 -9.047 0.042 1.00 43.11 C ATOM 1328 CG LEU A 84 -1.605 -8.462 -0.232 1.00 75.23 C ATOM 1329 CD1 LEU A 84 -0.544 -9.561 -0.216 1.00 61.14 C ATOM 1330 CD2 LEU A 84 -1.582 -7.703 -1.558 1.00 73.32 C ATOM 0 H LEU A 84 -2.926 -7.242 1.710 1.00 73.05 H new ATOM 0 HA LEU A 84 -4.245 -7.474 -0.768 1.00 31.42 H new ATOM 0 HB2 LEU A 84 -2.961 -9.632 0.961 1.00 43.11 H new ATOM 0 HB3 LEU A 84 -3.255 -9.736 -0.764 1.00 43.11 H new ATOM 0 HG LEU A 84 -1.373 -7.755 0.565 1.00 75.23 H new ATOM 0 HD11 LEU A 84 0.435 -9.124 -0.412 1.00 61.14 H new ATOM 0 HD12 LEU A 84 -0.537 -10.045 0.760 1.00 61.14 H new ATOM 0 HD13 LEU A 84 -0.773 -10.299 -0.985 1.00 61.14 H new ATOM 0 HD21 LEU A 84 -0.584 -7.299 -1.729 1.00 73.32 H new ATOM 0 HD22 LEU A 84 -1.843 -8.381 -2.370 1.00 73.32 H new ATOM 0 HD23 LEU A 84 -2.303 -6.886 -1.522 1.00 73.32 H new ATOM 1342 N ARG A 85 -5.653 -9.086 1.746 1.00 74.04 N ATOM 1343 CA ARG A 85 -6.883 -9.742 2.200 1.00 21.22 C ATOM 1344 C ARG A 85 -8.117 -8.878 1.907 1.00 31.34 C ATOM 1345 O ARG A 85 -9.056 -9.324 1.253 1.00 62.33 O ATOM 1346 CB ARG A 85 -6.800 -10.032 3.707 1.00 71.23 C ATOM 1347 CG ARG A 85 -8.055 -10.675 4.290 1.00 53.13 C ATOM 1348 CD ARG A 85 -8.310 -12.061 3.710 1.00 52.51 C ATOM 1349 NE ARG A 85 -7.212 -12.981 4.001 1.00 21.12 N ATOM 1350 CZ ARG A 85 -7.355 -14.129 4.606 1.00 34.12 C ATOM 1351 NH1 ARG A 85 -8.529 -14.549 4.953 1.00 3.23 N ATOM 1352 NH2 ARG A 85 -6.317 -14.860 4.858 1.00 32.35 N ATOM 0 H ARG A 85 -4.967 -8.932 2.485 1.00 74.04 H new ATOM 0 HA ARG A 85 -6.984 -10.679 1.653 1.00 21.22 H new ATOM 0 HB2 ARG A 85 -5.949 -10.688 3.893 1.00 71.23 H new ATOM 0 HB3 ARG A 85 -6.605 -9.099 4.235 1.00 71.23 H new ATOM 0 HG2 ARG A 85 -7.955 -10.748 5.373 1.00 53.13 H new ATOM 0 HG3 ARG A 85 -8.915 -10.035 4.092 1.00 53.13 H new ATOM 0 HD2 ARG A 85 -9.238 -12.461 4.119 1.00 52.51 H new ATOM 0 HD3 ARG A 85 -8.444 -11.985 2.631 1.00 52.51 H new ATOM 0 HE ARG A 85 -6.272 -12.708 3.712 1.00 21.12 H new ATOM 0 HH11 ARG A 85 -9.353 -13.982 4.754 1.00 3.23 H new ATOM 0 HH12 ARG A 85 -8.630 -15.447 5.425 1.00 3.23 H new ATOM 0 HH21 ARG A 85 -5.388 -14.539 4.584 1.00 32.35 H new ATOM 0 HH22 ARG A 85 -6.428 -15.757 5.331 1.00 32.35 H new ATOM 1366 N GLY A 86 -8.104 -7.639 2.392 1.00 35.34 N ATOM 1367 CA GLY A 86 -9.230 -6.736 2.176 1.00 23.03 C ATOM 1368 C GLY A 86 -9.515 -6.477 0.699 1.00 72.14 C ATOM 1369 O GLY A 86 -10.661 -6.577 0.248 1.00 40.21 O ATOM 0 H GLY A 86 -7.335 -7.241 2.931 1.00 35.34 H new ATOM 0 HA2 GLY A 86 -10.120 -7.157 2.643 1.00 23.03 H new ATOM 0 HA3 GLY A 86 -9.028 -5.787 2.673 1.00 23.03 H new ATOM 1373 N CYS A 87 -8.467 -6.156 -0.058 1.00 42.43 N ATOM 1374 CA CYS A 87 -8.596 -5.885 -1.495 1.00 13.42 C ATOM 1375 C CYS A 87 -9.049 -7.128 -2.278 1.00 33.20 C ATOM 1376 O CYS A 87 -9.725 -7.012 -3.298 1.00 61.43 O ATOM 1377 CB CYS A 87 -7.269 -5.366 -2.063 1.00 0.30 C ATOM 1378 SG CYS A 87 -6.751 -3.772 -1.380 1.00 1.32 S ATOM 0 H CYS A 87 -7.515 -6.076 0.298 1.00 42.43 H new ATOM 0 HA CYS A 87 -9.364 -5.121 -1.611 1.00 13.42 H new ATOM 0 HB2 CYS A 87 -6.490 -6.103 -1.870 1.00 0.30 H new ATOM 0 HB3 CYS A 87 -7.360 -5.274 -3.145 1.00 0.30 H new ATOM 0 HG CYS A 87 -6.101 -3.966 -0.271 1.00 1.32 H new ATOM 1384 N GLY A 88 -8.678 -8.312 -1.795 1.00 61.41 N ATOM 1385 CA GLY A 88 -9.073 -9.555 -2.454 1.00 73.24 C ATOM 1386 C GLY A 88 -10.444 -10.077 -2.007 1.00 13.14 C ATOM 1387 O GLY A 88 -11.162 -10.697 -2.789 1.00 62.15 O ATOM 0 H GLY A 88 -8.110 -8.437 -0.957 1.00 61.41 H new ATOM 0 HA2 GLY A 88 -9.088 -9.396 -3.532 1.00 73.24 H new ATOM 0 HA3 GLY A 88 -8.320 -10.318 -2.254 1.00 73.24 H new ATOM 1391 N ALA A 89 -10.808 -9.819 -0.751 1.00 62.04 N ATOM 1392 CA ALA A 89 -12.071 -10.324 -0.183 1.00 71.43 C ATOM 1393 C ALA A 89 -13.260 -9.397 -0.484 1.00 74.13 C ATOM 1394 O ALA A 89 -14.387 -9.858 -0.683 1.00 31.02 O ATOM 1395 CB ALA A 89 -11.926 -10.526 1.324 1.00 11.41 C ATOM 0 H ALA A 89 -10.250 -9.264 -0.102 1.00 62.04 H new ATOM 0 HA ALA A 89 -12.281 -11.281 -0.660 1.00 71.43 H new ATOM 0 HB1 ALA A 89 -12.865 -10.899 1.733 1.00 11.41 H new ATOM 0 HB2 ALA A 89 -11.133 -11.247 1.520 1.00 11.41 H new ATOM 0 HB3 ALA A 89 -11.677 -9.576 1.796 1.00 11.41 H new ATOM 1401 N SER A 90 -13.014 -8.089 -0.498 1.00 54.33 N ATOM 1402 CA SER A 90 -14.073 -7.105 -0.778 1.00 20.45 C ATOM 1403 C SER A 90 -14.106 -6.729 -2.269 1.00 20.45 C ATOM 1404 O SER A 90 -15.073 -7.026 -2.975 1.00 14.03 O ATOM 1405 CB SER A 90 -13.867 -5.843 0.075 1.00 23.42 C ATOM 1406 OG SER A 90 -14.891 -4.886 -0.154 1.00 10.43 O ATOM 0 H SER A 90 -12.096 -7.681 -0.320 1.00 54.33 H new ATOM 0 HA SER A 90 -15.029 -7.561 -0.520 1.00 20.45 H new ATOM 0 HB2 SER A 90 -13.851 -6.115 1.130 1.00 23.42 H new ATOM 0 HB3 SER A 90 -12.897 -5.402 -0.155 1.00 23.42 H new ATOM 0 HG SER A 90 -14.928 -4.260 0.599 1.00 10.43 H new ATOM 1412 N LEU A 91 -13.036 -6.095 -2.747 1.00 53.11 N ATOM 1413 CA LEU A 91 -12.932 -5.659 -4.151 1.00 25.44 C ATOM 1414 C LEU A 91 -12.598 -6.819 -5.105 1.00 32.34 C ATOM 1415 O LEU A 91 -13.043 -6.837 -6.253 1.00 41.12 O ATOM 1416 CB LEU A 91 -11.850 -4.572 -4.264 1.00 34.21 C ATOM 1417 CG LEU A 91 -12.262 -3.180 -3.765 1.00 13.01 C ATOM 1418 CD1 LEU A 91 -11.036 -2.305 -3.530 1.00 34.33 C ATOM 1419 CD2 LEU A 91 -13.201 -2.520 -4.772 1.00 11.21 C ATOM 0 H LEU A 91 -12.218 -5.867 -2.181 1.00 53.11 H new ATOM 0 HA LEU A 91 -13.905 -5.267 -4.447 1.00 25.44 H new ATOM 0 HB2 LEU A 91 -10.973 -4.896 -3.703 1.00 34.21 H new ATOM 0 HB3 LEU A 91 -11.548 -4.491 -5.308 1.00 34.21 H new ATOM 0 HG LEU A 91 -12.785 -3.294 -2.816 1.00 13.01 H new ATOM 0 HD11 LEU A 91 -11.352 -1.323 -3.177 1.00 34.33 H new ATOM 0 HD12 LEU A 91 -10.395 -2.771 -2.782 1.00 34.33 H new ATOM 0 HD13 LEU A 91 -10.484 -2.194 -4.463 1.00 34.33 H new ATOM 0 HD21 LEU A 91 -13.488 -1.533 -4.409 1.00 11.21 H new ATOM 0 HD22 LEU A 91 -12.694 -2.421 -5.732 1.00 11.21 H new ATOM 0 HD23 LEU A 91 -14.093 -3.135 -4.895 1.00 11.21 H new ATOM 1431 N ARG A 92 -11.808 -7.768 -4.612 1.00 34.04 N ATOM 1432 CA ARG A 92 -11.285 -8.874 -5.422 1.00 10.31 C ATOM 1433 C ARG A 92 -10.546 -8.353 -6.668 1.00 13.12 C ATOM 1434 O ARG A 92 -10.946 -8.598 -7.809 1.00 72.43 O ATOM 1435 CB ARG A 92 -12.398 -9.860 -5.813 1.00 62.43 C ATOM 1436 CG ARG A 92 -11.861 -11.131 -6.462 1.00 62.15 C ATOM 1437 CD ARG A 92 -12.966 -12.111 -6.826 1.00 70.04 C ATOM 1438 NE ARG A 92 -12.429 -13.309 -7.467 1.00 54.35 N ATOM 1439 CZ ARG A 92 -13.150 -14.322 -7.853 1.00 43.04 C ATOM 1440 NH1 ARG A 92 -14.434 -14.326 -7.676 1.00 72.00 N ATOM 1441 NH2 ARG A 92 -12.579 -15.331 -8.425 1.00 51.51 N ATOM 0 H ARG A 92 -11.509 -7.796 -3.637 1.00 34.04 H new ATOM 0 HA ARG A 92 -10.565 -9.415 -4.808 1.00 10.31 H new ATOM 0 HB2 ARG A 92 -12.971 -10.125 -4.924 1.00 62.43 H new ATOM 0 HB3 ARG A 92 -13.087 -9.369 -6.501 1.00 62.43 H new ATOM 0 HG2 ARG A 92 -11.302 -10.868 -7.360 1.00 62.15 H new ATOM 0 HG3 ARG A 92 -11.161 -11.615 -5.781 1.00 62.15 H new ATOM 0 HD2 ARG A 92 -13.515 -12.393 -5.927 1.00 70.04 H new ATOM 0 HD3 ARG A 92 -13.677 -11.627 -7.495 1.00 70.04 H new ATOM 0 HE ARG A 92 -11.422 -13.355 -7.622 1.00 54.35 H new ATOM 0 HH11 ARG A 92 -14.890 -13.530 -7.230 1.00 72.00 H new ATOM 0 HH12 ARG A 92 -14.989 -15.125 -7.983 1.00 72.00 H new ATOM 0 HH21 ARG A 92 -11.570 -15.330 -8.571 1.00 51.51 H new ATOM 0 HH22 ARG A 92 -13.138 -16.128 -8.730 1.00 51.51 H new ATOM 1455 N LEU A 93 -9.474 -7.608 -6.432 1.00 21.34 N ATOM 1456 CA LEU A 93 -8.653 -7.055 -7.513 1.00 43.52 C ATOM 1457 C LEU A 93 -7.303 -7.783 -7.631 1.00 52.34 C ATOM 1458 O LEU A 93 -6.914 -8.538 -6.739 1.00 14.21 O ATOM 1459 CB LEU A 93 -8.449 -5.541 -7.293 1.00 14.32 C ATOM 1460 CG LEU A 93 -7.907 -5.115 -5.908 1.00 44.45 C ATOM 1461 CD1 LEU A 93 -6.406 -5.372 -5.784 1.00 62.43 C ATOM 1462 CD2 LEU A 93 -8.220 -3.648 -5.633 1.00 55.11 C ATOM 0 H LEU A 93 -9.147 -7.369 -5.496 1.00 21.34 H new ATOM 0 HA LEU A 93 -9.180 -7.208 -8.455 1.00 43.52 H new ATOM 0 HB2 LEU A 93 -7.763 -5.174 -8.056 1.00 14.32 H new ATOM 0 HB3 LEU A 93 -9.403 -5.040 -7.455 1.00 14.32 H new ATOM 0 HG LEU A 93 -8.411 -5.727 -5.160 1.00 44.45 H new ATOM 0 HD11 LEU A 93 -6.064 -5.060 -4.797 1.00 62.43 H new ATOM 0 HD12 LEU A 93 -6.207 -6.435 -5.917 1.00 62.43 H new ATOM 0 HD13 LEU A 93 -5.875 -4.805 -6.549 1.00 62.43 H new ATOM 0 HD21 LEU A 93 -7.830 -3.370 -4.654 1.00 55.11 H new ATOM 0 HD22 LEU A 93 -7.755 -3.027 -6.399 1.00 55.11 H new ATOM 0 HD23 LEU A 93 -9.299 -3.497 -5.650 1.00 55.11 H new ATOM 1474 N GLU A 94 -6.595 -7.553 -8.736 1.00 3.53 N ATOM 1475 CA GLU A 94 -5.270 -8.155 -8.948 1.00 11.41 C ATOM 1476 C GLU A 94 -4.280 -7.729 -7.848 1.00 21.03 C ATOM 1477 O GLU A 94 -3.917 -6.556 -7.737 1.00 13.04 O ATOM 1478 CB GLU A 94 -4.722 -7.771 -10.329 1.00 55.21 C ATOM 1479 CG GLU A 94 -5.604 -8.220 -11.489 1.00 73.35 C ATOM 1480 CD GLU A 94 -4.978 -7.918 -12.839 1.00 32.23 C ATOM 1481 OE1 GLU A 94 -4.242 -8.778 -13.362 1.00 44.33 O ATOM 1482 OE2 GLU A 94 -5.194 -6.809 -13.371 1.00 15.44 O ATOM 0 H GLU A 94 -6.912 -6.956 -9.500 1.00 3.53 H new ATOM 0 HA GLU A 94 -5.385 -9.238 -8.900 1.00 11.41 H new ATOM 0 HB2 GLU A 94 -4.603 -6.688 -10.374 1.00 55.21 H new ATOM 0 HB3 GLU A 94 -3.730 -8.206 -10.450 1.00 55.21 H new ATOM 0 HG2 GLU A 94 -5.789 -9.291 -11.408 1.00 73.35 H new ATOM 0 HG3 GLU A 94 -6.572 -7.723 -11.420 1.00 73.35 H new ATOM 1489 N THR A 95 -3.851 -8.690 -7.034 1.00 30.55 N ATOM 1490 CA THR A 95 -2.954 -8.412 -5.906 1.00 71.35 C ATOM 1491 C THR A 95 -1.508 -8.849 -6.181 1.00 5.21 C ATOM 1492 O THR A 95 -1.206 -9.474 -7.198 1.00 75.12 O ATOM 1493 CB THR A 95 -3.440 -9.124 -4.617 1.00 43.51 C ATOM 1494 OG1 THR A 95 -3.515 -10.545 -4.833 1.00 24.45 O ATOM 1495 CG2 THR A 95 -4.804 -8.600 -4.174 1.00 52.43 C ATOM 0 H THR A 95 -4.109 -9.672 -7.132 1.00 30.55 H new ATOM 0 HA THR A 95 -2.974 -7.331 -5.771 1.00 71.35 H new ATOM 0 HB THR A 95 -2.718 -8.913 -3.828 1.00 43.51 H new ATOM 0 HG1 THR A 95 -3.821 -10.985 -4.013 1.00 24.45 H new ATOM 0 HG21 THR A 95 -5.116 -9.119 -3.268 1.00 52.43 H new ATOM 0 HG22 THR A 95 -4.736 -7.531 -3.974 1.00 52.43 H new ATOM 0 HG23 THR A 95 -5.535 -8.776 -4.963 1.00 52.43 H new ATOM 1503 N PHE A 96 -0.627 -8.492 -5.253 1.00 4.24 N ATOM 1504 CA PHE A 96 0.783 -8.910 -5.261 1.00 33.14 C ATOM 1505 C PHE A 96 1.092 -9.693 -3.975 1.00 54.04 C ATOM 1506 O PHE A 96 0.197 -9.919 -3.156 1.00 23.11 O ATOM 1507 CB PHE A 96 1.697 -7.678 -5.359 1.00 21.52 C ATOM 1508 CG PHE A 96 1.505 -6.695 -4.227 1.00 30.51 C ATOM 1509 CD1 PHE A 96 0.483 -5.756 -4.267 1.00 23.41 C ATOM 1510 CD2 PHE A 96 2.343 -6.714 -3.119 1.00 60.52 C ATOM 1511 CE1 PHE A 96 0.303 -4.858 -3.232 1.00 2.44 C ATOM 1512 CE2 PHE A 96 2.166 -5.818 -2.083 1.00 12.54 C ATOM 1513 CZ PHE A 96 1.144 -4.890 -2.138 1.00 70.32 C ATOM 0 H PHE A 96 -0.868 -7.896 -4.461 1.00 4.24 H new ATOM 0 HA PHE A 96 0.964 -9.550 -6.125 1.00 33.14 H new ATOM 0 HB2 PHE A 96 2.736 -8.006 -5.373 1.00 21.52 H new ATOM 0 HB3 PHE A 96 1.510 -7.171 -6.306 1.00 21.52 H new ATOM 0 HD1 PHE A 96 -0.180 -5.727 -5.119 1.00 23.41 H new ATOM 0 HD2 PHE A 96 3.143 -7.438 -3.067 1.00 60.52 H new ATOM 0 HE1 PHE A 96 -0.495 -4.132 -3.279 1.00 2.44 H new ATOM 0 HE2 PHE A 96 2.827 -5.843 -1.229 1.00 12.54 H new ATOM 0 HZ PHE A 96 1.003 -4.191 -1.327 1.00 70.32 H new ATOM 1523 N ASP A 97 2.333 -10.132 -3.796 1.00 34.21 N ATOM 1524 CA ASP A 97 2.731 -10.782 -2.542 1.00 65.02 C ATOM 1525 C ASP A 97 3.612 -9.865 -1.687 1.00 51.01 C ATOM 1526 O ASP A 97 4.409 -9.083 -2.198 1.00 51.21 O ATOM 1527 CB ASP A 97 3.451 -12.106 -2.811 1.00 2.42 C ATOM 1528 CG ASP A 97 2.484 -13.220 -3.153 1.00 65.25 C ATOM 1529 OD1 ASP A 97 1.934 -13.837 -2.214 1.00 50.50 O ATOM 1530 OD2 ASP A 97 2.267 -13.485 -4.352 1.00 43.44 O ATOM 0 H ASP A 97 3.076 -10.054 -4.490 1.00 34.21 H new ATOM 0 HA ASP A 97 1.818 -10.990 -1.985 1.00 65.02 H new ATOM 0 HB2 ASP A 97 4.157 -11.974 -3.631 1.00 2.42 H new ATOM 0 HB3 ASP A 97 4.032 -12.387 -1.933 1.00 2.42 H new ATOM 1535 N ALA A 98 3.462 -9.979 -0.370 1.00 42.32 N ATOM 1536 CA ALA A 98 4.254 -9.189 0.576 1.00 34.21 C ATOM 1537 C ALA A 98 5.763 -9.345 0.324 1.00 62.23 C ATOM 1538 O ALA A 98 6.548 -8.432 0.581 1.00 51.31 O ATOM 1539 CB ALA A 98 3.914 -9.605 2.003 1.00 4.24 C ATOM 0 H ALA A 98 2.796 -10.614 0.071 1.00 42.32 H new ATOM 0 HA ALA A 98 4.004 -8.138 0.431 1.00 34.21 H new ATOM 0 HB1 ALA A 98 4.505 -9.016 2.704 1.00 4.24 H new ATOM 0 HB2 ALA A 98 2.854 -9.434 2.189 1.00 4.24 H new ATOM 0 HB3 ALA A 98 4.140 -10.663 2.137 1.00 4.24 H new ATOM 1545 N ASN A 99 6.149 -10.505 -0.200 1.00 32.12 N ATOM 1546 CA ASN A 99 7.555 -10.838 -0.422 1.00 61.41 C ATOM 1547 C ASN A 99 8.202 -9.943 -1.494 1.00 34.41 C ATOM 1548 O ASN A 99 9.249 -9.337 -1.252 1.00 50.44 O ATOM 1549 CB ASN A 99 7.687 -12.312 -0.826 1.00 24.11 C ATOM 1550 CG ASN A 99 6.947 -13.252 0.116 1.00 74.15 C ATOM 1551 OD1 ASN A 99 5.868 -12.938 0.615 1.00 42.52 O ATOM 1552 ND2 ASN A 99 7.525 -14.403 0.382 1.00 21.21 N ATOM 0 H ASN A 99 5.499 -11.239 -0.482 1.00 32.12 H new ATOM 0 HA ASN A 99 8.083 -10.662 0.515 1.00 61.41 H new ATOM 0 HB2 ASN A 99 7.302 -12.442 -1.838 1.00 24.11 H new ATOM 0 HB3 ASN A 99 8.742 -12.584 -0.849 1.00 24.11 H new ATOM 0 HD21 ASN A 99 7.078 -15.063 1.018 1.00 21.21 H new ATOM 0 HD22 ASN A 99 8.421 -14.635 -0.048 1.00 21.21 H new ATOM 1559 N ASP A 100 7.579 -9.855 -2.672 1.00 25.04 N ATOM 1560 CA ASP A 100 8.148 -9.078 -3.780 1.00 11.32 C ATOM 1561 C ASP A 100 8.183 -7.572 -3.473 1.00 23.11 C ATOM 1562 O ASP A 100 9.086 -6.867 -3.931 1.00 23.00 O ATOM 1563 CB ASP A 100 7.404 -9.356 -5.095 1.00 15.04 C ATOM 1564 CG ASP A 100 5.896 -9.239 -4.974 1.00 33.53 C ATOM 1565 OD1 ASP A 100 5.373 -8.115 -5.079 1.00 12.22 O ATOM 1566 OD2 ASP A 100 5.235 -10.283 -4.784 1.00 32.30 O ATOM 0 H ASP A 100 6.689 -10.307 -2.884 1.00 25.04 H new ATOM 0 HA ASP A 100 9.181 -9.406 -3.900 1.00 11.32 H new ATOM 0 HB2 ASP A 100 7.755 -8.659 -5.856 1.00 15.04 H new ATOM 0 HB3 ASP A 100 7.656 -10.358 -5.441 1.00 15.04 H new ATOM 1571 N LEU A 101 7.216 -7.082 -2.698 1.00 22.55 N ATOM 1572 CA LEU A 101 7.238 -5.689 -2.233 1.00 73.54 C ATOM 1573 C LEU A 101 8.366 -5.469 -1.213 1.00 24.22 C ATOM 1574 O LEU A 101 9.192 -4.565 -1.365 1.00 34.31 O ATOM 1575 CB LEU A 101 5.890 -5.303 -1.601 1.00 33.21 C ATOM 1576 CG LEU A 101 5.852 -3.926 -0.908 1.00 73.11 C ATOM 1577 CD1 LEU A 101 6.246 -2.808 -1.874 1.00 51.21 C ATOM 1578 CD2 LEU A 101 4.472 -3.661 -0.315 1.00 3.55 C ATOM 0 H LEU A 101 6.411 -7.622 -2.379 1.00 22.55 H new ATOM 0 HA LEU A 101 7.418 -5.055 -3.101 1.00 73.54 H new ATOM 0 HB2 LEU A 101 5.126 -5.320 -2.378 1.00 33.21 H new ATOM 0 HB3 LEU A 101 5.619 -6.066 -0.871 1.00 33.21 H new ATOM 0 HG LEU A 101 6.581 -3.940 -0.098 1.00 73.11 H new ATOM 0 HD11 LEU A 101 6.210 -1.850 -1.356 1.00 51.21 H new ATOM 0 HD12 LEU A 101 7.257 -2.984 -2.241 1.00 51.21 H new ATOM 0 HD13 LEU A 101 5.552 -2.792 -2.715 1.00 51.21 H new ATOM 0 HD21 LEU A 101 4.466 -2.685 0.170 1.00 3.55 H new ATOM 0 HD22 LEU A 101 3.726 -3.677 -1.109 1.00 3.55 H new ATOM 0 HD23 LEU A 101 4.237 -4.432 0.419 1.00 3.55 H new ATOM 1590 N TYR A 102 8.398 -6.314 -0.187 1.00 11.43 N ATOM 1591 CA TYR A 102 9.390 -6.209 0.886 1.00 4.10 C ATOM 1592 C TYR A 102 10.826 -6.279 0.342 1.00 34.21 C ATOM 1593 O TYR A 102 11.665 -5.435 0.657 1.00 40.21 O ATOM 1594 CB TYR A 102 9.154 -7.327 1.908 1.00 42.34 C ATOM 1595 CG TYR A 102 10.056 -7.258 3.129 1.00 52.02 C ATOM 1596 CD1 TYR A 102 9.755 -6.415 4.193 1.00 0.24 C ATOM 1597 CD2 TYR A 102 11.206 -8.036 3.215 1.00 23.45 C ATOM 1598 CE1 TYR A 102 10.569 -6.352 5.307 1.00 42.53 C ATOM 1599 CE2 TYR A 102 12.023 -7.979 4.327 1.00 12.22 C ATOM 1600 CZ TYR A 102 11.703 -7.135 5.368 1.00 1.44 C ATOM 1601 OH TYR A 102 12.522 -7.075 6.473 1.00 11.33 O ATOM 0 H TYR A 102 7.743 -7.087 -0.073 1.00 11.43 H new ATOM 0 HA TYR A 102 9.272 -5.238 1.367 1.00 4.10 H new ATOM 0 HB2 TYR A 102 8.115 -7.291 2.236 1.00 42.34 H new ATOM 0 HB3 TYR A 102 9.300 -8.289 1.417 1.00 42.34 H new ATOM 0 HD1 TYR A 102 8.869 -5.799 4.148 1.00 0.24 H new ATOM 0 HD2 TYR A 102 11.464 -8.695 2.399 1.00 23.45 H new ATOM 0 HE1 TYR A 102 10.319 -5.693 6.126 1.00 42.53 H new ATOM 0 HE2 TYR A 102 12.909 -8.594 4.380 1.00 12.22 H new ATOM 0 HH TYR A 102 13.276 -7.690 6.355 1.00 11.33 H new ATOM 1611 N GLN A 103 11.093 -7.287 -0.484 1.00 61.53 N ATOM 1612 CA GLN A 103 12.426 -7.485 -1.067 1.00 73.31 C ATOM 1613 C GLN A 103 12.665 -6.566 -2.281 1.00 10.24 C ATOM 1614 O GLN A 103 13.778 -6.492 -2.801 1.00 52.22 O ATOM 1615 CB GLN A 103 12.601 -8.952 -1.491 1.00 22.14 C ATOM 1616 CG GLN A 103 12.445 -9.961 -0.354 1.00 54.45 C ATOM 1617 CD GLN A 103 13.533 -9.853 0.705 1.00 52.21 C ATOM 1618 OE1 GLN A 103 14.660 -9.462 0.424 1.00 24.34 O ATOM 1619 NE2 GLN A 103 13.211 -10.216 1.929 1.00 13.12 N ATOM 0 H GLN A 103 10.405 -7.984 -0.768 1.00 61.53 H new ATOM 0 HA GLN A 103 13.159 -7.229 -0.302 1.00 73.31 H new ATOM 0 HB2 GLN A 103 11.872 -9.182 -2.268 1.00 22.14 H new ATOM 0 HB3 GLN A 103 13.589 -9.074 -1.935 1.00 22.14 H new ATOM 0 HG2 GLN A 103 11.473 -9.817 0.118 1.00 54.45 H new ATOM 0 HG3 GLN A 103 12.452 -10.969 -0.769 1.00 54.45 H new ATOM 0 HE21 GLN A 103 12.265 -10.537 2.133 1.00 13.12 H new ATOM 0 HE22 GLN A 103 13.908 -10.176 2.673 1.00 13.12 H new ATOM 1628 N GLY A 104 11.613 -5.879 -2.735 1.00 45.30 N ATOM 1629 CA GLY A 104 11.727 -4.996 -3.897 1.00 74.53 C ATOM 1630 C GLY A 104 11.973 -5.750 -5.205 1.00 30.11 C ATOM 1631 O GLY A 104 12.639 -5.238 -6.111 1.00 54.03 O ATOM 0 H GLY A 104 10.682 -5.917 -2.320 1.00 45.30 H new ATOM 0 HA2 GLY A 104 10.813 -4.409 -3.990 1.00 74.53 H new ATOM 0 HA3 GLY A 104 12.543 -4.292 -3.732 1.00 74.53 H new ATOM 1635 N GLN A 105 11.426 -6.962 -5.306 1.00 31.14 N ATOM 1636 CA GLN A 105 11.634 -7.819 -6.480 1.00 72.24 C ATOM 1637 C GLN A 105 10.661 -7.485 -7.622 1.00 64.14 C ATOM 1638 O GLN A 105 11.062 -7.419 -8.785 1.00 72.21 O ATOM 1639 CB GLN A 105 11.495 -9.297 -6.082 1.00 50.21 C ATOM 1640 CG GLN A 105 12.493 -9.738 -5.015 1.00 60.24 C ATOM 1641 CD GLN A 105 13.941 -9.545 -5.447 1.00 13.02 C ATOM 1642 OE1 GLN A 105 14.538 -8.498 -5.217 1.00 34.20 O ATOM 1643 NE2 GLN A 105 14.515 -10.544 -6.080 1.00 45.44 N ATOM 0 H GLN A 105 10.833 -7.376 -4.587 1.00 31.14 H new ATOM 0 HA GLN A 105 12.643 -7.632 -6.848 1.00 72.24 H new ATOM 0 HB2 GLN A 105 10.483 -9.473 -5.716 1.00 50.21 H new ATOM 0 HB3 GLN A 105 11.626 -9.917 -6.969 1.00 50.21 H new ATOM 0 HG2 GLN A 105 12.313 -9.174 -4.100 1.00 60.24 H new ATOM 0 HG3 GLN A 105 12.326 -10.789 -4.779 1.00 60.24 H new ATOM 0 HE21 GLN A 105 13.994 -11.403 -6.257 1.00 45.44 H new ATOM 0 HE22 GLN A 105 15.482 -10.461 -6.394 1.00 45.44 H new ATOM 1652 N ASN A 106 9.385 -7.275 -7.292 1.00 5.44 N ATOM 1653 CA ASN A 106 8.367 -6.953 -8.307 1.00 41.23 C ATOM 1654 C ASN A 106 7.529 -5.732 -7.903 1.00 3.25 C ATOM 1655 O ASN A 106 6.328 -5.847 -7.655 1.00 71.54 O ATOM 1656 CB ASN A 106 7.439 -8.150 -8.555 1.00 24.24 C ATOM 1657 CG ASN A 106 8.165 -9.362 -9.099 1.00 15.03 C ATOM 1658 OD1 ASN A 106 8.331 -9.509 -10.301 1.00 42.23 O ATOM 1659 ND2 ASN A 106 8.571 -10.254 -8.225 1.00 63.21 N ATOM 0 H ASN A 106 9.029 -7.321 -6.337 1.00 5.44 H new ATOM 0 HA ASN A 106 8.902 -6.717 -9.227 1.00 41.23 H new ATOM 0 HB2 ASN A 106 6.945 -8.419 -7.621 1.00 24.24 H new ATOM 0 HB3 ASN A 106 6.658 -7.857 -9.256 1.00 24.24 H new ATOM 0 HD21 ASN A 106 9.041 -11.102 -8.542 1.00 63.21 H new ATOM 0 HD22 ASN A 106 8.416 -10.099 -7.229 1.00 63.21 H new ATOM 1666 N PHE A 107 8.158 -4.558 -7.851 1.00 12.31 N ATOM 1667 CA PHE A 107 7.435 -3.324 -7.518 1.00 34.12 C ATOM 1668 C PHE A 107 6.353 -3.024 -8.570 1.00 41.34 C ATOM 1669 O PHE A 107 5.343 -2.385 -8.275 1.00 13.44 O ATOM 1670 CB PHE A 107 8.402 -2.136 -7.394 1.00 64.40 C ATOM 1671 CG PHE A 107 7.715 -0.851 -6.989 1.00 31.21 C ATOM 1672 CD1 PHE A 107 7.371 -0.620 -5.664 1.00 14.11 C ATOM 1673 CD2 PHE A 107 7.399 0.116 -7.935 1.00 42.31 C ATOM 1674 CE1 PHE A 107 6.731 0.547 -5.293 1.00 32.32 C ATOM 1675 CE2 PHE A 107 6.761 1.283 -7.567 1.00 24.34 C ATOM 1676 CZ PHE A 107 6.426 1.499 -6.246 1.00 74.42 C ATOM 0 H PHE A 107 9.154 -4.432 -8.032 1.00 12.31 H new ATOM 0 HA PHE A 107 6.949 -3.472 -6.554 1.00 34.12 H new ATOM 0 HB2 PHE A 107 9.171 -2.377 -6.660 1.00 64.40 H new ATOM 0 HB3 PHE A 107 8.907 -1.986 -8.348 1.00 64.40 H new ATOM 0 HD1 PHE A 107 7.606 -1.361 -4.914 1.00 14.11 H new ATOM 0 HD2 PHE A 107 7.656 -0.048 -8.971 1.00 42.31 H new ATOM 0 HE1 PHE A 107 6.469 0.715 -4.259 1.00 32.32 H new ATOM 0 HE2 PHE A 107 6.524 2.027 -8.313 1.00 24.34 H new ATOM 0 HZ PHE A 107 5.926 2.412 -5.958 1.00 74.42 H new ATOM 1686 N ASN A 108 6.573 -3.501 -9.794 1.00 10.54 N ATOM 1687 CA ASN A 108 5.591 -3.364 -10.875 1.00 34.11 C ATOM 1688 C ASN A 108 4.238 -3.996 -10.490 1.00 5.43 C ATOM 1689 O ASN A 108 3.178 -3.452 -10.804 1.00 43.41 O ATOM 1690 CB ASN A 108 6.149 -3.998 -12.154 1.00 2.42 C ATOM 1691 CG ASN A 108 6.515 -5.457 -11.957 1.00 31.12 C ATOM 1692 OD1 ASN A 108 7.596 -5.783 -11.481 1.00 4.25 O ATOM 1693 ND2 ASN A 108 5.626 -6.347 -12.334 1.00 63.33 N ATOM 0 H ASN A 108 7.427 -3.989 -10.065 1.00 10.54 H new ATOM 0 HA ASN A 108 5.410 -2.304 -11.051 1.00 34.11 H new ATOM 0 HB2 ASN A 108 5.410 -3.915 -12.951 1.00 2.42 H new ATOM 0 HB3 ASN A 108 7.030 -3.444 -12.477 1.00 2.42 H new ATOM 0 HD21 ASN A 108 5.826 -7.342 -12.234 1.00 63.33 H new ATOM 0 HD22 ASN A 108 4.735 -6.043 -12.727 1.00 63.33 H new ATOM 1700 N LYS A 109 4.284 -5.138 -9.795 1.00 73.52 N ATOM 1701 CA LYS A 109 3.071 -5.775 -9.263 1.00 32.44 C ATOM 1702 C LYS A 109 2.361 -4.848 -8.268 1.00 52.22 C ATOM 1703 O LYS A 109 1.173 -4.547 -8.410 1.00 31.11 O ATOM 1704 CB LYS A 109 3.415 -7.090 -8.561 1.00 65.15 C ATOM 1705 CG LYS A 109 3.785 -8.228 -9.499 1.00 1.34 C ATOM 1706 CD LYS A 109 4.070 -9.501 -8.714 1.00 34.22 C ATOM 1707 CE LYS A 109 4.191 -10.715 -9.619 1.00 45.45 C ATOM 1708 NZ LYS A 109 5.289 -10.579 -10.615 1.00 43.10 N ATOM 0 H LYS A 109 5.147 -5.641 -9.587 1.00 73.52 H new ATOM 0 HA LYS A 109 2.408 -5.976 -10.104 1.00 32.44 H new ATOM 0 HB2 LYS A 109 4.245 -6.915 -7.877 1.00 65.15 H new ATOM 0 HB3 LYS A 109 2.562 -7.398 -7.956 1.00 65.15 H new ATOM 0 HG2 LYS A 109 2.972 -8.404 -10.204 1.00 1.34 H new ATOM 0 HG3 LYS A 109 4.662 -7.952 -10.085 1.00 1.34 H new ATOM 0 HD2 LYS A 109 4.993 -9.378 -8.148 1.00 34.22 H new ATOM 0 HD3 LYS A 109 3.272 -9.667 -7.991 1.00 34.22 H new ATOM 0 HE2 LYS A 109 4.366 -11.602 -9.010 1.00 45.45 H new ATOM 0 HE3 LYS A 109 3.247 -10.869 -10.143 1.00 45.45 H new ATOM 0 HZ1 LYS A 109 4.885 -10.516 -11.571 1.00 43.10 H new ATOM 0 HZ2 LYS A 109 5.836 -9.718 -10.413 1.00 43.10 H new ATOM 0 HZ3 LYS A 109 5.914 -11.408 -10.558 1.00 43.10 H new ATOM 1722 N VAL A 110 3.113 -4.402 -7.263 1.00 5.51 N ATOM 1723 CA VAL A 110 2.593 -3.504 -6.225 1.00 63.10 C ATOM 1724 C VAL A 110 1.952 -2.254 -6.838 1.00 72.03 C ATOM 1725 O VAL A 110 0.804 -1.918 -6.543 1.00 75.53 O ATOM 1726 CB VAL A 110 3.721 -3.067 -5.257 1.00 10.20 C ATOM 1727 CG1 VAL A 110 3.163 -2.262 -4.081 1.00 22.51 C ATOM 1728 CG2 VAL A 110 4.511 -4.283 -4.774 1.00 12.55 C ATOM 0 H VAL A 110 4.095 -4.649 -7.143 1.00 5.51 H new ATOM 0 HA VAL A 110 1.834 -4.059 -5.674 1.00 63.10 H new ATOM 0 HB VAL A 110 4.403 -2.414 -5.801 1.00 10.20 H new ATOM 0 HG11 VAL A 110 3.979 -1.970 -3.420 1.00 22.51 H new ATOM 0 HG12 VAL A 110 2.663 -1.369 -4.456 1.00 22.51 H new ATOM 0 HG13 VAL A 110 2.449 -2.873 -3.528 1.00 22.51 H new ATOM 0 HG21 VAL A 110 5.299 -3.958 -4.095 1.00 12.55 H new ATOM 0 HG22 VAL A 110 3.842 -4.968 -4.253 1.00 12.55 H new ATOM 0 HG23 VAL A 110 4.956 -4.791 -5.630 1.00 12.55 H new ATOM 1738 N LEU A 111 2.701 -1.583 -7.707 1.00 21.21 N ATOM 1739 CA LEU A 111 2.233 -0.356 -8.356 1.00 71.41 C ATOM 1740 C LEU A 111 0.942 -0.593 -9.160 1.00 34.04 C ATOM 1741 O LEU A 111 -0.028 0.150 -9.015 1.00 11.12 O ATOM 1742 CB LEU A 111 3.334 0.203 -9.268 1.00 2.42 C ATOM 1743 CG LEU A 111 3.044 1.583 -9.883 1.00 3.12 C ATOM 1744 CD1 LEU A 111 2.806 2.625 -8.791 1.00 20.14 C ATOM 1745 CD2 LEU A 111 4.188 2.012 -10.799 1.00 12.30 C ATOM 0 H LEU A 111 3.641 -1.868 -7.982 1.00 21.21 H new ATOM 0 HA LEU A 111 2.004 0.370 -7.576 1.00 71.41 H new ATOM 0 HB2 LEU A 111 4.259 0.267 -8.695 1.00 2.42 H new ATOM 0 HB3 LEU A 111 3.508 -0.507 -10.077 1.00 2.42 H new ATOM 0 HG LEU A 111 2.136 1.507 -10.481 1.00 3.12 H new ATOM 0 HD11 LEU A 111 2.603 3.593 -9.250 1.00 20.14 H new ATOM 0 HD12 LEU A 111 1.953 2.326 -8.182 1.00 20.14 H new ATOM 0 HD13 LEU A 111 3.692 2.701 -8.161 1.00 20.14 H new ATOM 0 HD21 LEU A 111 3.966 2.990 -11.225 1.00 12.30 H new ATOM 0 HD22 LEU A 111 5.113 2.068 -10.225 1.00 12.30 H new ATOM 0 HD23 LEU A 111 4.304 1.284 -11.602 1.00 12.30 H new ATOM 1757 N SER A 112 0.928 -1.636 -9.995 1.00 44.01 N ATOM 1758 CA SER A 112 -0.259 -1.962 -10.807 1.00 41.24 C ATOM 1759 C SER A 112 -1.472 -2.279 -9.920 1.00 30.21 C ATOM 1760 O SER A 112 -2.608 -1.925 -10.246 1.00 65.44 O ATOM 1761 CB SER A 112 0.020 -3.149 -11.740 1.00 63.33 C ATOM 1762 OG SER A 112 -1.107 -3.430 -12.558 1.00 45.21 O ATOM 0 H SER A 112 1.717 -2.268 -10.130 1.00 44.01 H new ATOM 0 HA SER A 112 -0.487 -1.083 -11.410 1.00 41.24 H new ATOM 0 HB2 SER A 112 0.883 -2.928 -12.368 1.00 63.33 H new ATOM 0 HB3 SER A 112 0.273 -4.029 -11.149 1.00 63.33 H new ATOM 0 HG SER A 112 -0.905 -4.189 -13.144 1.00 45.21 H new ATOM 1768 N SER A 113 -1.222 -2.945 -8.793 1.00 34.22 N ATOM 1769 CA SER A 113 -2.281 -3.258 -7.823 1.00 73.22 C ATOM 1770 C SER A 113 -2.843 -1.972 -7.197 1.00 73.24 C ATOM 1771 O SER A 113 -4.055 -1.825 -7.036 1.00 61.10 O ATOM 1772 CB SER A 113 -1.748 -4.188 -6.722 1.00 21.24 C ATOM 1773 OG SER A 113 -2.786 -4.619 -5.853 1.00 61.11 O ATOM 0 H SER A 113 -0.296 -3.280 -8.526 1.00 34.22 H new ATOM 0 HA SER A 113 -3.085 -3.767 -8.354 1.00 73.22 H new ATOM 0 HB2 SER A 113 -1.271 -5.056 -7.178 1.00 21.24 H new ATOM 0 HB3 SER A 113 -0.982 -3.669 -6.146 1.00 21.24 H new ATOM 0 HG SER A 113 -3.352 -5.270 -6.317 1.00 61.11 H new ATOM 1779 N LEU A 114 -1.951 -1.035 -6.864 1.00 4.21 N ATOM 1780 CA LEU A 114 -2.355 0.277 -6.338 1.00 75.15 C ATOM 1781 C LEU A 114 -3.181 1.059 -7.373 1.00 52.30 C ATOM 1782 O LEU A 114 -4.201 1.667 -7.042 1.00 44.52 O ATOM 1783 CB LEU A 114 -1.121 1.096 -5.930 1.00 2.05 C ATOM 1784 CG LEU A 114 -0.252 0.477 -4.822 1.00 61.20 C ATOM 1785 CD1 LEU A 114 0.967 1.350 -4.538 1.00 24.10 C ATOM 1786 CD2 LEU A 114 -1.067 0.256 -3.546 1.00 61.21 C ATOM 0 H LEU A 114 -0.942 -1.159 -6.949 1.00 4.21 H new ATOM 0 HA LEU A 114 -2.976 0.106 -5.459 1.00 75.15 H new ATOM 0 HB2 LEU A 114 -0.500 1.248 -6.813 1.00 2.05 H new ATOM 0 HB3 LEU A 114 -1.453 2.080 -5.600 1.00 2.05 H new ATOM 0 HG LEU A 114 0.098 -0.494 -5.173 1.00 61.20 H new ATOM 0 HD11 LEU A 114 1.567 0.893 -3.751 1.00 24.10 H new ATOM 0 HD12 LEU A 114 1.567 1.443 -5.443 1.00 24.10 H new ATOM 0 HD13 LEU A 114 0.640 2.339 -4.216 1.00 24.10 H new ATOM 0 HD21 LEU A 114 -0.429 -0.183 -2.778 1.00 61.21 H new ATOM 0 HD22 LEU A 114 -1.456 1.211 -3.193 1.00 61.21 H new ATOM 0 HD23 LEU A 114 -1.897 -0.418 -3.757 1.00 61.21 H new ATOM 1798 N VAL A 115 -2.732 1.036 -8.629 1.00 5.02 N ATOM 1799 CA VAL A 115 -3.460 1.686 -9.724 1.00 21.24 C ATOM 1800 C VAL A 115 -4.872 1.097 -9.872 1.00 45.52 C ATOM 1801 O VAL A 115 -5.857 1.833 -9.947 1.00 14.23 O ATOM 1802 CB VAL A 115 -2.695 1.561 -11.070 1.00 53.04 C ATOM 1803 CG1 VAL A 115 -3.497 2.169 -12.221 1.00 51.40 C ATOM 1804 CG2 VAL A 115 -1.318 2.216 -10.963 1.00 33.41 C ATOM 0 H VAL A 115 -1.868 0.575 -8.915 1.00 5.02 H new ATOM 0 HA VAL A 115 -3.542 2.743 -9.472 1.00 21.24 H new ATOM 0 HB VAL A 115 -2.559 0.501 -11.285 1.00 53.04 H new ATOM 0 HG11 VAL A 115 -2.936 2.066 -13.150 1.00 51.40 H new ATOM 0 HG12 VAL A 115 -4.451 1.650 -12.314 1.00 51.40 H new ATOM 0 HG13 VAL A 115 -3.677 3.225 -12.021 1.00 51.40 H new ATOM 0 HG21 VAL A 115 -0.794 2.120 -11.914 1.00 33.41 H new ATOM 0 HG22 VAL A 115 -1.435 3.272 -10.718 1.00 33.41 H new ATOM 0 HG23 VAL A 115 -0.741 1.724 -10.180 1.00 33.41 H new ATOM 1814 N THR A 116 -4.968 -0.236 -9.894 1.00 33.04 N ATOM 1815 CA THR A 116 -6.274 -0.913 -9.942 1.00 74.23 C ATOM 1816 C THR A 116 -7.131 -0.528 -8.730 1.00 31.24 C ATOM 1817 O THR A 116 -8.321 -0.247 -8.863 1.00 54.32 O ATOM 1818 CB THR A 116 -6.135 -2.459 -9.986 1.00 5.52 C ATOM 1819 OG1 THR A 116 -5.392 -2.862 -11.151 1.00 25.32 O ATOM 1820 CG2 THR A 116 -7.506 -3.134 -10.001 1.00 34.42 C ATOM 0 H THR A 116 -4.166 -0.866 -9.880 1.00 33.04 H new ATOM 0 HA THR A 116 -6.758 -0.584 -10.862 1.00 74.23 H new ATOM 0 HB THR A 116 -5.601 -2.770 -9.088 1.00 5.52 H new ATOM 0 HG1 THR A 116 -4.447 -2.630 -11.033 1.00 25.32 H new ATOM 0 HG21 THR A 116 -7.378 -4.216 -10.032 1.00 34.42 H new ATOM 0 HG22 THR A 116 -8.057 -2.859 -9.101 1.00 34.42 H new ATOM 0 HG23 THR A 116 -8.062 -2.809 -10.880 1.00 34.42 H new ATOM 1828 N LEU A 117 -6.510 -0.510 -7.548 1.00 71.21 N ATOM 1829 CA LEU A 117 -7.187 -0.101 -6.311 1.00 73.51 C ATOM 1830 C LEU A 117 -7.808 1.300 -6.451 1.00 1.33 C ATOM 1831 O LEU A 117 -8.955 1.528 -6.061 1.00 73.41 O ATOM 1832 CB LEU A 117 -6.196 -0.123 -5.136 1.00 72.24 C ATOM 1833 CG LEU A 117 -6.764 0.299 -3.769 1.00 64.40 C ATOM 1834 CD1 LEU A 117 -7.866 -0.654 -3.317 1.00 31.43 C ATOM 1835 CD2 LEU A 117 -5.654 0.370 -2.726 1.00 61.11 C ATOM 0 H LEU A 117 -5.534 -0.775 -7.420 1.00 71.21 H new ATOM 0 HA LEU A 117 -7.992 -0.809 -6.117 1.00 73.51 H new ATOM 0 HB2 LEU A 117 -5.793 -1.132 -5.045 1.00 72.24 H new ATOM 0 HB3 LEU A 117 -5.360 0.533 -5.379 1.00 72.24 H new ATOM 0 HG LEU A 117 -7.200 1.292 -3.876 1.00 64.40 H new ATOM 0 HD11 LEU A 117 -8.250 -0.333 -2.349 1.00 31.43 H new ATOM 0 HD12 LEU A 117 -8.675 -0.648 -4.048 1.00 31.43 H new ATOM 0 HD13 LEU A 117 -7.462 -1.663 -3.231 1.00 31.43 H new ATOM 0 HD21 LEU A 117 -6.075 0.670 -1.766 1.00 61.11 H new ATOM 0 HD22 LEU A 117 -5.185 -0.609 -2.626 1.00 61.11 H new ATOM 0 HD23 LEU A 117 -4.907 1.100 -3.039 1.00 61.11 H new ATOM 1847 N ASN A 118 -7.043 2.234 -7.014 1.00 0.45 N ATOM 1848 CA ASN A 118 -7.533 3.590 -7.270 1.00 65.54 C ATOM 1849 C ASN A 118 -8.715 3.579 -8.257 1.00 41.03 C ATOM 1850 O ASN A 118 -9.740 4.210 -8.019 1.00 75.03 O ATOM 1851 CB ASN A 118 -6.394 4.461 -7.822 1.00 71.42 C ATOM 1852 CG ASN A 118 -6.814 5.899 -8.080 1.00 2.10 C ATOM 1853 OD1 ASN A 118 -7.252 6.252 -9.170 1.00 1.31 O ATOM 1854 ND2 ASN A 118 -6.683 6.744 -7.078 1.00 41.12 N ATOM 0 H ASN A 118 -6.078 2.077 -7.303 1.00 0.45 H new ATOM 0 HA ASN A 118 -7.885 4.008 -6.327 1.00 65.54 H new ATOM 0 HB2 ASN A 118 -5.563 4.452 -7.116 1.00 71.42 H new ATOM 0 HB3 ASN A 118 -6.028 4.024 -8.751 1.00 71.42 H new ATOM 0 HD21 ASN A 118 -6.949 7.721 -7.197 1.00 41.12 H new ATOM 0 HD22 ASN A 118 -6.316 6.421 -6.183 1.00 41.12 H new ATOM 1861 N LYS A 119 -8.563 2.838 -9.351 1.00 75.42 N ATOM 1862 CA LYS A 119 -9.575 2.785 -10.416 1.00 32.21 C ATOM 1863 C LYS A 119 -10.910 2.185 -9.933 1.00 51.10 C ATOM 1864 O LYS A 119 -11.984 2.728 -10.219 1.00 62.31 O ATOM 1865 CB LYS A 119 -9.030 1.976 -11.601 1.00 5.43 C ATOM 1866 CG LYS A 119 -7.811 2.616 -12.267 1.00 15.50 C ATOM 1867 CD LYS A 119 -7.150 1.684 -13.280 1.00 73.10 C ATOM 1868 CE LYS A 119 -8.114 1.250 -14.375 1.00 54.54 C ATOM 1869 NZ LYS A 119 -7.432 0.444 -15.420 1.00 73.35 N ATOM 0 H LYS A 119 -7.743 2.259 -9.529 1.00 75.42 H new ATOM 0 HA LYS A 119 -9.781 3.810 -10.725 1.00 32.21 H new ATOM 0 HB2 LYS A 119 -8.763 0.977 -11.257 1.00 5.43 H new ATOM 0 HB3 LYS A 119 -9.819 1.857 -12.343 1.00 5.43 H new ATOM 0 HG2 LYS A 119 -8.114 3.536 -12.766 1.00 15.50 H new ATOM 0 HG3 LYS A 119 -7.085 2.892 -11.502 1.00 15.50 H new ATOM 0 HD2 LYS A 119 -6.294 2.187 -13.730 1.00 73.10 H new ATOM 0 HD3 LYS A 119 -6.767 0.803 -12.765 1.00 73.10 H new ATOM 0 HE2 LYS A 119 -8.924 0.667 -13.937 1.00 54.54 H new ATOM 0 HE3 LYS A 119 -8.566 2.130 -14.832 1.00 54.54 H new ATOM 0 HZ1 LYS A 119 -8.120 0.167 -16.149 1.00 73.35 H new ATOM 0 HZ2 LYS A 119 -6.675 1.009 -15.856 1.00 73.35 H new ATOM 0 HZ3 LYS A 119 -7.022 -0.409 -14.988 1.00 73.35 H new ATOM 1883 N VAL A 120 -10.845 1.070 -9.204 1.00 22.43 N ATOM 1884 CA VAL A 120 -12.061 0.389 -8.732 1.00 24.55 C ATOM 1885 C VAL A 120 -12.792 1.195 -7.643 1.00 54.13 C ATOM 1886 O VAL A 120 -14.020 1.269 -7.635 1.00 22.22 O ATOM 1887 CB VAL A 120 -11.759 -1.044 -8.211 1.00 72.20 C ATOM 1888 CG1 VAL A 120 -11.183 -1.912 -9.328 1.00 44.00 C ATOM 1889 CG2 VAL A 120 -10.812 -1.010 -7.015 1.00 40.44 C ATOM 0 H VAL A 120 -9.973 0.619 -8.927 1.00 22.43 H new ATOM 0 HA VAL A 120 -12.717 0.312 -9.599 1.00 24.55 H new ATOM 0 HB VAL A 120 -12.700 -1.484 -7.880 1.00 72.20 H new ATOM 0 HG11 VAL A 120 -10.978 -2.911 -8.943 1.00 44.00 H new ATOM 0 HG12 VAL A 120 -11.902 -1.978 -10.145 1.00 44.00 H new ATOM 0 HG13 VAL A 120 -10.258 -1.467 -9.694 1.00 44.00 H new ATOM 0 HG21 VAL A 120 -10.620 -2.027 -6.674 1.00 40.44 H new ATOM 0 HG22 VAL A 120 -9.872 -0.542 -7.308 1.00 40.44 H new ATOM 0 HG23 VAL A 120 -11.266 -0.436 -6.207 1.00 40.44 H new ATOM 1899 N THR A 121 -12.039 1.813 -6.733 1.00 54.43 N ATOM 1900 CA THR A 121 -12.642 2.628 -5.668 1.00 44.21 C ATOM 1901 C THR A 121 -13.145 3.970 -6.214 1.00 31.23 C ATOM 1902 O THR A 121 -14.199 4.462 -5.806 1.00 61.51 O ATOM 1903 CB THR A 121 -11.659 2.885 -4.506 1.00 13.45 C ATOM 1904 OG1 THR A 121 -10.482 3.551 -4.991 1.00 4.03 O ATOM 1905 CG2 THR A 121 -11.270 1.575 -3.821 1.00 50.44 C ATOM 0 H THR A 121 -11.020 1.769 -6.708 1.00 54.43 H new ATOM 0 HA THR A 121 -13.486 2.056 -5.283 1.00 44.21 H new ATOM 0 HB THR A 121 -12.156 3.522 -3.775 1.00 13.45 H new ATOM 0 HG1 THR A 121 -9.848 2.887 -5.334 1.00 4.03 H new ATOM 0 HG21 THR A 121 -10.577 1.783 -3.006 1.00 50.44 H new ATOM 0 HG22 THR A 121 -12.163 1.093 -3.424 1.00 50.44 H new ATOM 0 HG23 THR A 121 -10.792 0.914 -4.544 1.00 50.44 H new ATOM 1913 N ALA A 122 -12.389 4.559 -7.143 1.00 54.12 N ATOM 1914 CA ALA A 122 -12.820 5.783 -7.833 1.00 15.31 C ATOM 1915 C ALA A 122 -14.129 5.553 -8.592 1.00 60.31 C ATOM 1916 O ALA A 122 -14.984 6.437 -8.659 1.00 34.21 O ATOM 1917 CB ALA A 122 -11.737 6.279 -8.787 1.00 3.51 C ATOM 0 H ALA A 122 -11.476 4.211 -7.437 1.00 54.12 H new ATOM 0 HA ALA A 122 -12.992 6.548 -7.076 1.00 15.31 H new ATOM 0 HB1 ALA A 122 -12.079 7.186 -9.286 1.00 3.51 H new ATOM 0 HB2 ALA A 122 -10.828 6.495 -8.225 1.00 3.51 H new ATOM 0 HB3 ALA A 122 -11.529 5.511 -9.532 1.00 3.51 H new ATOM 1923 N ASP A 123 -14.280 4.350 -9.150 1.00 55.31 N ATOM 1924 CA ASP A 123 -15.503 3.965 -9.856 1.00 63.24 C ATOM 1925 C ASP A 123 -16.728 4.067 -8.931 1.00 52.11 C ATOM 1926 O ASP A 123 -17.813 4.463 -9.361 1.00 40.23 O ATOM 1927 CB ASP A 123 -15.364 2.536 -10.400 1.00 41.12 C ATOM 1928 CG ASP A 123 -16.473 2.168 -11.369 1.00 51.25 C ATOM 1929 OD1 ASP A 123 -16.319 2.439 -12.579 1.00 5.41 O ATOM 1930 OD2 ASP A 123 -17.500 1.605 -10.934 1.00 24.12 O ATOM 0 H ASP A 123 -13.566 3.622 -9.126 1.00 55.31 H new ATOM 0 HA ASP A 123 -15.651 4.652 -10.689 1.00 63.24 H new ATOM 0 HB2 ASP A 123 -14.401 2.434 -10.901 1.00 41.12 H new ATOM 0 HB3 ASP A 123 -15.366 1.833 -9.567 1.00 41.12 H new