USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=29 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 Single : A 13 SER OG : rot 140:sc= -0.0185 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 76:sc= 1.09 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= -0.339 USER MOD Single : A 31 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.21) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.0419 (180deg=-0.268) 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 :FLIP amide:sc= -0.758 F(o=-1.3,f=-0.76) USER MOD Single : A 44 SER OG : rot 82:sc= 0.664 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0.974) USER MOD Single : A 52 CYS SG : rot -25:sc= -2.91! USER MOD Single : A 62 THR OG1 : rot 94:sc= 0.796 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 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 -117:sc= -2.54! USER MOD Single : A 78 SER OG : rot -22:sc= 0.483 USER MOD Single : A 79 ASN : amide:sc= 1.45 K(o=1.4,f=-5.8!) USER MOD Single : A 87 CYS SG : rot 153:sc= -1.65! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 30:sc= -0.207 USER MOD Single : A 103 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.59) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 108 ASN : amide:sc= -0.298 K(o=-0.3,f=-5.8!) USER MOD Single : A 109 LYS NZ :NH3+ 171:sc= 0.798 (180deg=0.568) USER MOD Single : A 112 SER OG : rot 85:sc= 0.878 USER MOD Single : A 113 SER OG : rot 74:sc= 0.269 USER MOD Single : A 116 THR OG1 : rot 78:sc= 0.989 USER MOD Single : A 118 ASN : amide:sc= 1.13 K(o=1.1,f=-0.096) USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0984) USER MOD Single : A 121 THR OG1 : rot -83:sc= 0.937 USER MOD ----------------------------------------------------------------- ATOM 195 N SER A 13 3.058 6.976 -13.471 1.00 61.40 N ATOM 196 CA SER A 13 1.955 6.741 -12.525 1.00 35.01 C ATOM 197 C SER A 13 2.447 6.670 -11.068 1.00 52.33 C ATOM 198 O SER A 13 1.687 6.922 -10.133 1.00 64.44 O ATOM 199 CB SER A 13 1.221 5.442 -12.883 1.00 5.31 C ATOM 200 OG SER A 13 0.116 5.222 -12.024 1.00 15.33 O ATOM 0 HA SER A 13 1.273 7.587 -12.606 1.00 35.01 H new ATOM 0 HB2 SER A 13 0.877 5.489 -13.916 1.00 5.31 H new ATOM 0 HB3 SER A 13 1.911 4.601 -12.814 1.00 5.31 H new ATOM 0 HG SER A 13 -0.638 4.873 -12.544 1.00 15.33 H new ATOM 206 N ALA A 14 3.726 6.345 -10.877 1.00 53.32 N ATOM 207 CA ALA A 14 4.291 6.198 -9.531 1.00 13.14 C ATOM 208 C ALA A 14 4.293 7.531 -8.762 1.00 64.11 C ATOM 209 O ALA A 14 3.983 7.566 -7.571 1.00 74.44 O ATOM 210 CB ALA A 14 5.698 5.612 -9.609 1.00 3.22 C ATOM 0 H ALA A 14 4.390 6.179 -11.633 1.00 53.32 H new ATOM 0 HA ALA A 14 3.654 5.509 -8.976 1.00 13.14 H new ATOM 0 HB1 ALA A 14 6.105 5.508 -8.603 1.00 3.22 H new ATOM 0 HB2 ALA A 14 5.659 4.633 -10.087 1.00 3.22 H new ATOM 0 HB3 ALA A 14 6.337 6.275 -10.192 1.00 3.22 H new ATOM 216 N GLU A 15 4.631 8.626 -9.450 1.00 51.10 N ATOM 217 CA GLU A 15 4.646 9.959 -8.822 1.00 24.04 C ATOM 218 C GLU A 15 3.264 10.349 -8.273 1.00 34.50 C ATOM 219 O GLU A 15 3.130 10.708 -7.101 1.00 43.44 O ATOM 220 CB GLU A 15 5.131 11.033 -9.810 1.00 54.53 C ATOM 221 CG GLU A 15 6.616 10.943 -10.152 1.00 53.14 C ATOM 222 CD GLU A 15 7.115 12.167 -10.913 1.00 61.33 C ATOM 223 OE1 GLU A 15 7.311 13.228 -10.275 1.00 23.53 O ATOM 224 OE2 GLU A 15 7.306 12.079 -12.144 1.00 62.55 O ATOM 0 H GLU A 15 4.897 8.621 -10.435 1.00 51.10 H new ATOM 0 HA GLU A 15 5.343 9.903 -7.986 1.00 24.04 H new ATOM 0 HB2 GLU A 15 4.552 10.952 -10.730 1.00 54.53 H new ATOM 0 HB3 GLU A 15 4.925 12.017 -9.389 1.00 54.53 H new ATOM 0 HG2 GLU A 15 7.191 10.831 -9.233 1.00 53.14 H new ATOM 0 HG3 GLU A 15 6.794 10.049 -10.750 1.00 53.14 H new ATOM 231 N GLN A 16 2.237 10.278 -9.122 1.00 72.34 N ATOM 232 CA GLN A 16 0.872 10.621 -8.702 1.00 15.13 C ATOM 233 C GLN A 16 0.366 9.677 -7.595 1.00 0.44 C ATOM 234 O GLN A 16 -0.422 10.081 -6.738 1.00 73.24 O ATOM 235 CB GLN A 16 -0.091 10.597 -9.900 1.00 35.43 C ATOM 236 CG GLN A 16 -0.200 9.238 -10.583 1.00 43.44 C ATOM 237 CD GLN A 16 -1.217 9.228 -11.709 1.00 42.24 C ATOM 238 OE1 GLN A 16 -0.898 9.505 -12.862 1.00 34.13 O ATOM 239 NE2 GLN A 16 -2.453 8.905 -11.384 1.00 31.44 N ATOM 0 H GLN A 16 2.320 9.989 -10.097 1.00 72.34 H new ATOM 0 HA GLN A 16 0.902 11.632 -8.296 1.00 15.13 H new ATOM 0 HB2 GLN A 16 -1.081 10.903 -9.563 1.00 35.43 H new ATOM 0 HB3 GLN A 16 0.238 11.334 -10.632 1.00 35.43 H new ATOM 0 HG2 GLN A 16 0.776 8.955 -10.978 1.00 43.44 H new ATOM 0 HG3 GLN A 16 -0.475 8.486 -9.844 1.00 43.44 H new ATOM 0 HE21 GLN A 16 -2.684 8.680 -10.416 1.00 31.44 H new ATOM 0 HE22 GLN A 16 -3.179 8.880 -12.100 1.00 31.44 H new ATOM 248 N THR A 17 0.826 8.422 -7.617 1.00 74.25 N ATOM 249 CA THR A 17 0.490 7.454 -6.562 1.00 14.31 C ATOM 250 C THR A 17 1.018 7.925 -5.196 1.00 23.42 C ATOM 251 O THR A 17 0.352 7.766 -4.172 1.00 21.31 O ATOM 252 CB THR A 17 1.050 6.042 -6.879 1.00 63.23 C ATOM 253 OG1 THR A 17 0.433 5.524 -8.069 1.00 24.21 O ATOM 254 CG2 THR A 17 0.806 5.073 -5.727 1.00 31.03 C ATOM 0 H THR A 17 1.430 8.051 -8.350 1.00 74.25 H new ATOM 0 HA THR A 17 -0.597 7.391 -6.523 1.00 14.31 H new ATOM 0 HB THR A 17 2.125 6.139 -7.028 1.00 63.23 H new ATOM 0 HG1 THR A 17 0.816 5.966 -8.855 1.00 24.21 H new ATOM 0 HG21 THR A 17 1.211 4.094 -5.983 1.00 31.03 H new ATOM 0 HG22 THR A 17 1.298 5.445 -4.828 1.00 31.03 H new ATOM 0 HG23 THR A 17 -0.265 4.986 -5.545 1.00 31.03 H new ATOM 262 N VAL A 18 2.215 8.519 -5.191 1.00 32.35 N ATOM 263 CA VAL A 18 2.766 9.132 -3.974 1.00 44.12 C ATOM 264 C VAL A 18 1.803 10.198 -3.425 1.00 62.15 C ATOM 265 O VAL A 18 1.379 10.139 -2.268 1.00 74.31 O ATOM 266 CB VAL A 18 4.150 9.787 -4.237 1.00 42.32 C ATOM 267 CG1 VAL A 18 4.699 10.433 -2.963 1.00 71.10 C ATOM 268 CG2 VAL A 18 5.139 8.764 -4.796 1.00 3.31 C ATOM 0 H VAL A 18 2.820 8.589 -6.010 1.00 32.35 H new ATOM 0 HA VAL A 18 2.892 8.334 -3.242 1.00 44.12 H new ATOM 0 HB VAL A 18 4.015 10.571 -4.983 1.00 42.32 H new ATOM 0 HG11 VAL A 18 5.669 10.885 -3.173 1.00 71.10 H new ATOM 0 HG12 VAL A 18 4.008 11.202 -2.618 1.00 71.10 H new ATOM 0 HG13 VAL A 18 4.812 9.673 -2.190 1.00 71.10 H new ATOM 0 HG21 VAL A 18 6.101 9.246 -4.972 1.00 3.31 H new ATOM 0 HG22 VAL A 18 5.266 7.952 -4.080 1.00 3.31 H new ATOM 0 HG23 VAL A 18 4.757 8.364 -5.735 1.00 3.31 H new ATOM 278 N THR A 19 1.447 11.158 -4.280 1.00 5.42 N ATOM 279 CA THR A 19 0.496 12.222 -3.916 1.00 34.41 C ATOM 280 C THR A 19 -0.849 11.638 -3.456 1.00 13.02 C ATOM 281 O THR A 19 -1.492 12.168 -2.550 1.00 14.42 O ATOM 282 CB THR A 19 0.241 13.184 -5.106 1.00 61.34 C ATOM 283 OG1 THR A 19 1.485 13.699 -5.604 1.00 12.32 O ATOM 284 CG2 THR A 19 -0.661 14.350 -4.701 1.00 2.32 C ATOM 0 H THR A 19 1.802 11.225 -5.234 1.00 5.42 H new ATOM 0 HA THR A 19 0.949 12.777 -3.094 1.00 34.41 H new ATOM 0 HB THR A 19 -0.261 12.613 -5.887 1.00 61.34 H new ATOM 0 HG1 THR A 19 1.311 14.303 -6.356 1.00 12.32 H new ATOM 0 HG21 THR A 19 -0.818 15.003 -5.559 1.00 2.32 H new ATOM 0 HG22 THR A 19 -1.621 13.965 -4.357 1.00 2.32 H new ATOM 0 HG23 THR A 19 -0.188 14.914 -3.897 1.00 2.32 H new ATOM 292 N TRP A 20 -1.263 10.541 -4.087 1.00 53.21 N ATOM 293 CA TRP A 20 -2.509 9.849 -3.731 1.00 23.43 C ATOM 294 C TRP A 20 -2.490 9.369 -2.266 1.00 14.31 C ATOM 295 O TRP A 20 -3.435 9.609 -1.510 1.00 13.52 O ATOM 296 CB TRP A 20 -2.730 8.671 -4.690 1.00 54.24 C ATOM 297 CG TRP A 20 -3.938 7.836 -4.387 1.00 41.12 C ATOM 298 CD1 TRP A 20 -5.231 8.263 -4.269 1.00 72.42 C ATOM 299 CD2 TRP A 20 -3.959 6.419 -4.186 1.00 61.11 C ATOM 300 NE1 TRP A 20 -6.054 7.195 -3.999 1.00 21.24 N ATOM 301 CE2 TRP A 20 -5.295 6.054 -3.939 1.00 14.43 C ATOM 302 CE3 TRP A 20 -2.976 5.426 -4.182 1.00 42.24 C ATOM 303 CZ2 TRP A 20 -5.671 4.736 -3.698 1.00 61.34 C ATOM 304 CZ3 TRP A 20 -3.351 4.119 -3.942 1.00 34.43 C ATOM 305 CH2 TRP A 20 -4.688 3.785 -3.703 1.00 33.21 C ATOM 0 H TRP A 20 -0.751 10.106 -4.855 1.00 53.21 H new ATOM 0 HA TRP A 20 -3.337 10.551 -3.827 1.00 23.43 H new ATOM 0 HB2 TRP A 20 -2.818 9.058 -5.705 1.00 54.24 H new ATOM 0 HB3 TRP A 20 -1.848 8.031 -4.668 1.00 54.24 H new ATOM 0 HD1 TRP A 20 -5.558 9.287 -4.372 1.00 72.42 H new ATOM 0 HE1 TRP A 20 -7.064 7.243 -3.865 1.00 21.24 H new ATOM 0 HE3 TRP A 20 -1.941 5.676 -4.363 1.00 42.24 H new ATOM 0 HZ2 TRP A 20 -6.702 4.473 -3.514 1.00 61.34 H new ATOM 0 HZ3 TRP A 20 -2.600 3.343 -3.939 1.00 34.43 H new ATOM 0 HH2 TRP A 20 -4.950 2.754 -3.518 1.00 33.21 H new ATOM 316 N LEU A 21 -1.409 8.705 -1.868 1.00 73.10 N ATOM 317 CA LEU A 21 -1.248 8.252 -0.480 1.00 11.23 C ATOM 318 C LEU A 21 -1.230 9.441 0.501 1.00 65.43 C ATOM 319 O LEU A 21 -1.752 9.359 1.619 1.00 61.34 O ATOM 320 CB LEU A 21 0.044 7.437 -0.336 1.00 11.21 C ATOM 321 CG LEU A 21 0.132 6.178 -1.218 1.00 41.12 C ATOM 322 CD1 LEU A 21 1.469 5.469 -1.019 1.00 53.32 C ATOM 323 CD2 LEU A 21 -1.031 5.232 -0.929 1.00 60.43 C ATOM 0 H LEU A 21 -0.630 8.466 -2.482 1.00 73.10 H new ATOM 0 HA LEU A 21 -2.103 7.622 -0.233 1.00 11.23 H new ATOM 0 HB2 LEU A 21 0.890 8.084 -0.570 1.00 11.21 H new ATOM 0 HB3 LEU A 21 0.151 7.138 0.707 1.00 11.21 H new ATOM 0 HG LEU A 21 0.065 6.489 -2.261 1.00 41.12 H new ATOM 0 HD11 LEU A 21 1.509 4.583 -1.652 1.00 53.32 H new ATOM 0 HD12 LEU A 21 2.282 6.143 -1.288 1.00 53.32 H new ATOM 0 HD13 LEU A 21 1.573 5.174 0.025 1.00 53.32 H new ATOM 0 HD21 LEU A 21 -0.948 4.350 -1.563 1.00 60.43 H new ATOM 0 HD22 LEU A 21 -1.003 4.930 0.118 1.00 60.43 H new ATOM 0 HD23 LEU A 21 -1.973 5.740 -1.135 1.00 60.43 H new ATOM 335 N ILE A 22 -0.629 10.546 0.070 1.00 54.15 N ATOM 336 CA ILE A 22 -0.558 11.763 0.883 1.00 45.54 C ATOM 337 C ILE A 22 -1.949 12.397 1.084 1.00 21.51 C ATOM 338 O ILE A 22 -2.354 12.682 2.214 1.00 21.31 O ATOM 339 CB ILE A 22 0.396 12.806 0.241 1.00 30.32 C ATOM 340 CG1 ILE A 22 1.805 12.213 0.083 1.00 53.53 C ATOM 341 CG2 ILE A 22 0.442 14.091 1.071 1.00 12.44 C ATOM 342 CD1 ILE A 22 2.772 13.112 -0.656 1.00 45.13 C ATOM 0 H ILE A 22 -0.181 10.627 -0.843 1.00 54.15 H new ATOM 0 HA ILE A 22 -0.167 11.469 1.857 1.00 45.54 H new ATOM 0 HB ILE A 22 0.011 13.059 -0.747 1.00 30.32 H new ATOM 0 HG12 ILE A 22 2.210 11.996 1.072 1.00 53.53 H new ATOM 0 HG13 ILE A 22 1.731 11.263 -0.446 1.00 53.53 H new ATOM 0 HG21 ILE A 22 1.117 14.805 0.599 1.00 12.44 H new ATOM 0 HG22 ILE A 22 -0.557 14.522 1.130 1.00 12.44 H new ATOM 0 HG23 ILE A 22 0.799 13.863 2.075 1.00 12.44 H new ATOM 0 HD11 ILE A 22 3.743 12.622 -0.726 1.00 45.13 H new ATOM 0 HD12 ILE A 22 2.392 13.309 -1.658 1.00 45.13 H new ATOM 0 HD13 ILE A 22 2.878 14.053 -0.117 1.00 45.13 H new ATOM 354 N THR A 23 -2.680 12.597 -0.015 1.00 32.21 N ATOM 355 CA THR A 23 -3.990 13.274 0.034 1.00 41.12 C ATOM 356 C THR A 23 -5.038 12.467 0.817 1.00 22.20 C ATOM 357 O THR A 23 -5.967 13.037 1.394 1.00 1.43 O ATOM 358 CB THR A 23 -4.541 13.581 -1.387 1.00 2.04 C ATOM 359 OG1 THR A 23 -5.712 14.415 -1.298 1.00 64.24 O ATOM 360 CG2 THR A 23 -4.886 12.304 -2.149 1.00 5.12 C ATOM 0 H THR A 23 -2.394 12.303 -0.949 1.00 32.21 H new ATOM 0 HA THR A 23 -3.813 14.214 0.557 1.00 41.12 H new ATOM 0 HB THR A 23 -3.756 14.103 -1.934 1.00 2.04 H new ATOM 0 HG1 THR A 23 -6.049 14.603 -2.199 1.00 64.24 H new ATOM 0 HG21 THR A 23 -5.268 12.562 -3.137 1.00 5.12 H new ATOM 0 HG22 THR A 23 -3.991 11.690 -2.254 1.00 5.12 H new ATOM 0 HG23 THR A 23 -5.646 11.747 -1.601 1.00 5.12 H new ATOM 368 N LEU A 24 -4.900 11.142 0.831 1.00 65.40 N ATOM 369 CA LEU A 24 -5.796 10.282 1.620 1.00 22.32 C ATOM 370 C LEU A 24 -5.487 10.377 3.125 1.00 40.24 C ATOM 371 O LEU A 24 -6.358 10.136 3.963 1.00 10.34 O ATOM 372 CB LEU A 24 -5.693 8.823 1.151 1.00 54.31 C ATOM 373 CG LEU A 24 -6.258 8.542 -0.252 1.00 3.40 C ATOM 374 CD1 LEU A 24 -6.052 7.080 -0.631 1.00 74.23 C ATOM 375 CD2 LEU A 24 -7.740 8.908 -0.319 1.00 70.22 C ATOM 0 H LEU A 24 -4.182 10.638 0.310 1.00 65.40 H new ATOM 0 HA LEU A 24 -6.815 10.635 1.462 1.00 22.32 H new ATOM 0 HB2 LEU A 24 -4.644 8.526 1.169 1.00 54.31 H new ATOM 0 HB3 LEU A 24 -6.215 8.190 1.869 1.00 54.31 H new ATOM 0 HG LEU A 24 -5.718 9.162 -0.968 1.00 3.40 H new ATOM 0 HD11 LEU A 24 -6.458 6.901 -1.627 1.00 74.23 H new ATOM 0 HD12 LEU A 24 -4.987 6.850 -0.627 1.00 74.23 H new ATOM 0 HD13 LEU A 24 -6.564 6.442 0.089 1.00 74.23 H new ATOM 0 HD21 LEU A 24 -8.121 8.702 -1.319 1.00 70.22 H new ATOM 0 HD22 LEU A 24 -8.294 8.316 0.409 1.00 70.22 H new ATOM 0 HD23 LEU A 24 -7.864 9.968 -0.095 1.00 70.22 H new ATOM 387 N GLY A 25 -4.248 10.742 3.457 1.00 64.12 N ATOM 388 CA GLY A 25 -3.843 10.860 4.856 1.00 30.14 C ATOM 389 C GLY A 25 -3.261 9.572 5.432 1.00 72.55 C ATOM 390 O GLY A 25 -3.414 9.293 6.620 1.00 21.24 O ATOM 0 H GLY A 25 -3.514 10.959 2.782 1.00 64.12 H new ATOM 0 HA2 GLY A 25 -3.103 11.656 4.946 1.00 30.14 H new ATOM 0 HA3 GLY A 25 -4.706 11.158 5.452 1.00 30.14 H new ATOM 394 N VAL A 26 -2.600 8.776 4.589 1.00 35.33 N ATOM 395 CA VAL A 26 -1.953 7.535 5.044 1.00 25.23 C ATOM 396 C VAL A 26 -0.420 7.628 4.961 1.00 33.13 C ATOM 397 O VAL A 26 0.300 6.870 5.611 1.00 25.35 O ATOM 398 CB VAL A 26 -2.439 6.310 4.228 1.00 21.21 C ATOM 399 CG1 VAL A 26 -3.951 6.152 4.355 1.00 2.42 C ATOM 400 CG2 VAL A 26 -2.029 6.423 2.759 1.00 64.14 C ATOM 0 H VAL A 26 -2.497 8.964 3.592 1.00 35.33 H new ATOM 0 HA VAL A 26 -2.239 7.402 6.087 1.00 25.23 H new ATOM 0 HB VAL A 26 -1.960 5.421 4.638 1.00 21.21 H new ATOM 0 HG11 VAL A 26 -4.276 5.288 3.776 1.00 2.42 H new ATOM 0 HG12 VAL A 26 -4.215 6.008 5.403 1.00 2.42 H new ATOM 0 HG13 VAL A 26 -4.443 7.048 3.977 1.00 2.42 H new ATOM 0 HG21 VAL A 26 -2.385 5.549 2.214 1.00 64.14 H new ATOM 0 HG22 VAL A 26 -2.467 7.323 2.327 1.00 64.14 H new ATOM 0 HG23 VAL A 26 -0.943 6.478 2.688 1.00 64.14 H new ATOM 410 N LEU A 27 0.067 8.564 4.152 1.00 71.30 N ATOM 411 CA LEU A 27 1.504 8.805 4.000 1.00 14.33 C ATOM 412 C LEU A 27 1.812 10.300 4.152 1.00 22.23 C ATOM 413 O LEU A 27 1.007 11.148 3.757 1.00 32.21 O ATOM 414 CB LEU A 27 1.975 8.301 2.624 1.00 75.31 C ATOM 415 CG LEU A 27 3.484 8.424 2.345 1.00 60.41 C ATOM 416 CD1 LEU A 27 4.292 7.597 3.345 1.00 41.34 C ATOM 417 CD2 LEU A 27 3.796 8.001 0.912 1.00 12.42 C ATOM 0 H LEU A 27 -0.518 9.176 3.584 1.00 71.30 H new ATOM 0 HA LEU A 27 2.038 8.261 4.779 1.00 14.33 H new ATOM 0 HB2 LEU A 27 1.691 7.253 2.525 1.00 75.31 H new ATOM 0 HB3 LEU A 27 1.436 8.851 1.853 1.00 75.31 H new ATOM 0 HG LEU A 27 3.772 9.468 2.465 1.00 60.41 H new ATOM 0 HD11 LEU A 27 5.355 7.700 3.127 1.00 41.34 H new ATOM 0 HD12 LEU A 27 4.092 7.952 4.356 1.00 41.34 H new ATOM 0 HD13 LEU A 27 4.005 6.548 3.266 1.00 41.34 H new ATOM 0 HD21 LEU A 27 4.867 8.094 0.730 1.00 12.42 H new ATOM 0 HD22 LEU A 27 3.491 6.965 0.764 1.00 12.42 H new ATOM 0 HD23 LEU A 27 3.253 8.642 0.217 1.00 12.42 H new ATOM 429 N GLU A 28 2.963 10.623 4.735 1.00 73.12 N ATOM 430 CA GLU A 28 3.350 12.021 4.947 1.00 34.43 C ATOM 431 C GLU A 28 3.882 12.669 3.659 1.00 75.54 C ATOM 432 O GLU A 28 4.313 11.984 2.730 1.00 32.12 O ATOM 433 CB GLU A 28 4.413 12.135 6.048 1.00 3.44 C ATOM 434 CG GLU A 28 5.730 11.427 5.732 1.00 11.53 C ATOM 435 CD GLU A 28 6.822 11.754 6.741 1.00 10.55 C ATOM 436 OE1 GLU A 28 6.693 11.346 7.915 1.00 11.30 O ATOM 437 OE2 GLU A 28 7.809 12.429 6.369 1.00 63.23 O ATOM 0 H GLU A 28 3.644 9.941 5.069 1.00 73.12 H new ATOM 0 HA GLU A 28 2.450 12.553 5.255 1.00 34.43 H new ATOM 0 HB2 GLU A 28 4.617 13.190 6.231 1.00 3.44 H new ATOM 0 HB3 GLU A 28 4.007 11.724 6.972 1.00 3.44 H new ATOM 0 HG2 GLU A 28 5.565 10.350 5.716 1.00 11.53 H new ATOM 0 HG3 GLU A 28 6.063 11.714 4.735 1.00 11.53 H new ATOM 444 N SER A 29 3.855 13.999 3.617 1.00 44.02 N ATOM 445 CA SER A 29 4.363 14.752 2.462 1.00 13.45 C ATOM 446 C SER A 29 5.898 14.843 2.492 1.00 72.23 C ATOM 447 O SER A 29 6.500 15.007 3.560 1.00 30.03 O ATOM 448 CB SER A 29 3.757 16.166 2.437 1.00 60.44 C ATOM 449 OG SER A 29 4.160 16.887 1.280 1.00 11.42 O ATOM 0 H SER A 29 3.487 14.583 4.368 1.00 44.02 H new ATOM 0 HA SER A 29 4.067 14.219 1.558 1.00 13.45 H new ATOM 0 HB2 SER A 29 2.669 16.097 2.463 1.00 60.44 H new ATOM 0 HB3 SER A 29 4.063 16.710 3.331 1.00 60.44 H new ATOM 0 HG SER A 29 3.757 17.780 1.294 1.00 11.42 H new ATOM 455 N PRO A 30 6.564 14.745 1.322 1.00 21.34 N ATOM 456 CA PRO A 30 8.032 14.807 1.245 1.00 72.54 C ATOM 457 C PRO A 30 8.593 16.189 1.620 1.00 50.32 C ATOM 458 O PRO A 30 7.891 17.202 1.559 1.00 34.41 O ATOM 459 CB PRO A 30 8.328 14.484 -0.227 1.00 40.24 C ATOM 460 CG PRO A 30 7.085 14.876 -0.954 1.00 4.32 C ATOM 461 CD PRO A 30 5.951 14.572 -0.011 1.00 12.54 C ATOM 0 HA PRO A 30 8.500 14.120 1.950 1.00 72.54 H new ATOM 0 HB2 PRO A 30 9.192 15.041 -0.589 1.00 40.24 H new ATOM 0 HB3 PRO A 30 8.551 13.426 -0.364 1.00 40.24 H new ATOM 0 HG2 PRO A 30 7.102 15.933 -1.218 1.00 4.32 H new ATOM 0 HG3 PRO A 30 6.982 14.317 -1.884 1.00 4.32 H new ATOM 0 HD2 PRO A 30 5.111 15.251 -0.159 1.00 12.54 H new ATOM 0 HD3 PRO A 30 5.571 13.560 -0.151 1.00 12.54 H new ATOM 469 N LYS A 31 9.859 16.217 2.021 1.00 1.13 N ATOM 470 CA LYS A 31 10.543 17.471 2.356 1.00 34.34 C ATOM 471 C LYS A 31 11.261 18.022 1.115 1.00 63.52 C ATOM 472 O LYS A 31 11.452 19.232 0.965 1.00 1.44 O ATOM 473 CB LYS A 31 11.533 17.227 3.507 1.00 13.11 C ATOM 474 CG LYS A 31 10.926 16.435 4.666 1.00 22.23 C ATOM 475 CD LYS A 31 9.688 17.122 5.245 1.00 65.11 C ATOM 476 CE LYS A 31 8.955 16.229 6.244 1.00 44.21 C ATOM 477 NZ LYS A 31 8.364 15.023 5.596 1.00 65.43 N ATOM 0 H LYS A 31 10.439 15.384 2.124 1.00 1.13 H new ATOM 0 HA LYS A 31 9.813 18.212 2.682 1.00 34.34 H new ATOM 0 HB2 LYS A 31 12.401 16.690 3.124 1.00 13.11 H new ATOM 0 HB3 LYS A 31 11.891 18.187 3.879 1.00 13.11 H new ATOM 0 HG2 LYS A 31 10.658 15.436 4.321 1.00 22.23 H new ATOM 0 HG3 LYS A 31 11.672 16.312 5.451 1.00 22.23 H new ATOM 0 HD2 LYS A 31 9.984 18.049 5.736 1.00 65.11 H new ATOM 0 HD3 LYS A 31 9.011 17.392 4.435 1.00 65.11 H new ATOM 0 HE2 LYS A 31 9.648 15.916 7.025 1.00 44.21 H new ATOM 0 HE3 LYS A 31 8.165 16.802 6.729 1.00 44.21 H new ATOM 0 HZ1 LYS A 31 7.951 14.405 6.324 1.00 65.43 H new ATOM 0 HZ2 LYS A 31 7.622 15.316 4.928 1.00 65.43 H new ATOM 0 HZ3 LYS A 31 9.106 14.505 5.083 1.00 65.43 H new ATOM 491 N LYS A 32 11.667 17.107 0.237 1.00 62.34 N ATOM 492 CA LYS A 32 12.191 17.451 -1.090 1.00 75.44 C ATOM 493 C LYS A 32 11.201 17.007 -2.183 1.00 75.23 C ATOM 494 O LYS A 32 10.100 16.539 -1.889 1.00 23.12 O ATOM 495 CB LYS A 32 13.554 16.774 -1.338 1.00 33.02 C ATOM 496 CG LYS A 32 14.722 17.357 -0.541 1.00 34.24 C ATOM 497 CD LYS A 32 14.627 17.051 0.953 1.00 64.02 C ATOM 498 CE LYS A 32 15.879 17.493 1.701 1.00 21.11 C ATOM 499 NZ LYS A 32 17.083 16.739 1.261 1.00 64.55 N ATOM 0 H LYS A 32 11.643 16.104 0.423 1.00 62.34 H new ATOM 0 HA LYS A 32 12.321 18.533 -1.128 1.00 75.44 H new ATOM 0 HB2 LYS A 32 13.465 15.714 -1.100 1.00 33.02 H new ATOM 0 HB3 LYS A 32 13.789 16.843 -2.400 1.00 33.02 H new ATOM 0 HG2 LYS A 32 15.658 16.957 -0.931 1.00 34.24 H new ATOM 0 HG3 LYS A 32 14.752 18.437 -0.685 1.00 34.24 H new ATOM 0 HD2 LYS A 32 13.756 17.554 1.373 1.00 64.02 H new ATOM 0 HD3 LYS A 32 14.477 15.981 1.096 1.00 64.02 H new ATOM 0 HE2 LYS A 32 16.040 18.559 1.541 1.00 21.11 H new ATOM 0 HE3 LYS A 32 15.732 17.350 2.771 1.00 21.11 H new ATOM 0 HZ1 LYS A 32 17.844 16.863 1.959 1.00 64.55 H new ATOM 0 HZ2 LYS A 32 16.849 15.729 1.179 1.00 64.55 H new ATOM 0 HZ3 LYS A 32 17.398 17.097 0.337 1.00 64.55 H new ATOM 513 N THR A 33 11.590 17.165 -3.442 1.00 2.12 N ATOM 514 CA THR A 33 10.815 16.617 -4.562 1.00 43.24 C ATOM 515 C THR A 33 11.118 15.124 -4.734 1.00 52.33 C ATOM 516 O THR A 33 12.268 14.702 -4.603 1.00 62.22 O ATOM 517 CB THR A 33 11.125 17.363 -5.885 1.00 70.12 C ATOM 518 OG1 THR A 33 10.780 18.751 -5.757 1.00 20.42 O ATOM 519 CG2 THR A 33 10.362 16.758 -7.062 1.00 11.21 C ATOM 0 H THR A 33 12.434 17.666 -3.719 1.00 2.12 H new ATOM 0 HA THR A 33 9.759 16.753 -4.331 1.00 43.24 H new ATOM 0 HB THR A 33 12.193 17.262 -6.081 1.00 70.12 H new ATOM 0 HG1 THR A 33 10.980 19.217 -6.596 1.00 20.42 H new ATOM 0 HG21 THR A 33 10.604 17.306 -7.973 1.00 11.21 H new ATOM 0 HG22 THR A 33 10.647 15.713 -7.181 1.00 11.21 H new ATOM 0 HG23 THR A 33 9.290 16.823 -6.873 1.00 11.21 H new ATOM 527 N ILE A 34 10.090 14.323 -5.008 1.00 31.23 N ATOM 528 CA ILE A 34 10.264 12.874 -5.168 1.00 63.22 C ATOM 529 C ILE A 34 11.154 12.543 -6.379 1.00 30.41 C ATOM 530 O ILE A 34 10.699 12.552 -7.527 1.00 42.12 O ATOM 531 CB ILE A 34 8.895 12.154 -5.314 1.00 2.11 C ATOM 532 CG1 ILE A 34 8.013 12.407 -4.080 1.00 1.34 C ATOM 533 CG2 ILE A 34 9.092 10.653 -5.525 1.00 24.45 C ATOM 534 CD1 ILE A 34 8.587 11.854 -2.788 1.00 23.31 C ATOM 0 H ILE A 34 9.130 14.648 -5.124 1.00 31.23 H new ATOM 0 HA ILE A 34 10.757 12.513 -4.265 1.00 63.22 H new ATOM 0 HB ILE A 34 8.391 12.563 -6.190 1.00 2.11 H new ATOM 0 HG12 ILE A 34 7.861 13.481 -3.968 1.00 1.34 H new ATOM 0 HG13 ILE A 34 7.032 11.963 -4.250 1.00 1.34 H new ATOM 0 HG21 ILE A 34 8.120 10.169 -5.625 1.00 24.45 H new ATOM 0 HG22 ILE A 34 9.675 10.486 -6.431 1.00 24.45 H new ATOM 0 HG23 ILE A 34 9.621 10.232 -4.670 1.00 24.45 H new ATOM 0 HD11 ILE A 34 7.907 12.073 -1.965 1.00 23.31 H new ATOM 0 HD12 ILE A 34 8.712 10.775 -2.878 1.00 23.31 H new ATOM 0 HD13 ILE A 34 9.554 12.317 -2.592 1.00 23.31 H new ATOM 546 N SER A 35 12.428 12.265 -6.114 1.00 42.14 N ATOM 547 CA SER A 35 13.395 11.946 -7.174 1.00 73.51 C ATOM 548 C SER A 35 13.165 10.536 -7.730 1.00 70.11 C ATOM 549 O SER A 35 13.240 10.310 -8.938 1.00 54.21 O ATOM 550 CB SER A 35 14.833 12.067 -6.646 1.00 55.30 C ATOM 551 OG SER A 35 15.081 13.358 -6.105 1.00 64.34 O ATOM 0 H SER A 35 12.821 12.253 -5.173 1.00 42.14 H new ATOM 0 HA SER A 35 13.248 12.663 -7.981 1.00 73.51 H new ATOM 0 HB2 SER A 35 15.006 11.311 -5.880 1.00 55.30 H new ATOM 0 HB3 SER A 35 15.537 11.868 -7.454 1.00 55.30 H new ATOM 0 HG SER A 35 16.003 13.403 -5.776 1.00 64.34 H new ATOM 557 N ASP A 36 12.901 9.592 -6.832 1.00 12.44 N ATOM 558 CA ASP A 36 12.615 8.205 -7.208 1.00 13.35 C ATOM 559 C ASP A 36 11.281 7.739 -6.593 1.00 14.13 C ATOM 560 O ASP A 36 11.235 7.278 -5.451 1.00 1.54 O ATOM 561 CB ASP A 36 13.772 7.298 -6.767 1.00 64.12 C ATOM 562 CG ASP A 36 13.517 5.820 -7.016 1.00 53.53 C ATOM 563 OD1 ASP A 36 12.747 5.478 -7.940 1.00 34.42 O ATOM 564 OD2 ASP A 36 14.106 4.988 -6.294 1.00 70.04 O ATOM 0 H ASP A 36 12.878 9.762 -5.827 1.00 12.44 H new ATOM 0 HA ASP A 36 12.519 8.144 -8.292 1.00 13.35 H new ATOM 0 HB2 ASP A 36 14.678 7.596 -7.296 1.00 64.12 H new ATOM 0 HB3 ASP A 36 13.958 7.452 -5.704 1.00 64.12 H new ATOM 569 N PRO A 37 10.171 7.869 -7.347 1.00 15.45 N ATOM 570 CA PRO A 37 8.832 7.493 -6.859 1.00 73.32 C ATOM 571 C PRO A 37 8.684 5.987 -6.605 1.00 33.44 C ATOM 572 O PRO A 37 8.101 5.572 -5.602 1.00 25.32 O ATOM 573 CB PRO A 37 7.901 7.953 -7.992 1.00 50.22 C ATOM 574 CG PRO A 37 8.768 7.983 -9.208 1.00 55.34 C ATOM 575 CD PRO A 37 10.131 8.393 -8.726 1.00 2.43 C ATOM 0 HA PRO A 37 8.612 7.949 -5.894 1.00 73.32 H new ATOM 0 HB2 PRO A 37 7.064 7.267 -8.120 1.00 50.22 H new ATOM 0 HB3 PRO A 37 7.479 8.936 -7.783 1.00 50.22 H new ATOM 0 HG2 PRO A 37 8.801 7.006 -9.690 1.00 55.34 H new ATOM 0 HG3 PRO A 37 8.385 8.689 -9.945 1.00 55.34 H new ATOM 0 HD2 PRO A 37 10.922 7.966 -9.343 1.00 2.43 H new ATOM 0 HD3 PRO A 37 10.258 9.475 -8.750 1.00 2.43 H new ATOM 583 N GLU A 38 9.228 5.174 -7.508 1.00 1.01 N ATOM 584 CA GLU A 38 9.137 3.716 -7.399 1.00 73.04 C ATOM 585 C GLU A 38 9.871 3.201 -6.149 1.00 71.33 C ATOM 586 O GLU A 38 9.346 2.369 -5.404 1.00 1.01 O ATOM 587 CB GLU A 38 9.701 3.067 -8.673 1.00 1.13 C ATOM 588 CG GLU A 38 8.955 3.479 -9.943 1.00 63.42 C ATOM 589 CD GLU A 38 9.590 2.944 -11.218 1.00 51.43 C ATOM 590 OE1 GLU A 38 10.456 3.644 -11.791 1.00 4.14 O ATOM 591 OE2 GLU A 38 9.213 1.839 -11.665 1.00 2.22 O ATOM 0 H GLU A 38 9.739 5.500 -8.328 1.00 1.01 H new ATOM 0 HA GLU A 38 8.088 3.440 -7.294 1.00 73.04 H new ATOM 0 HB2 GLU A 38 10.753 3.336 -8.774 1.00 1.13 H new ATOM 0 HB3 GLU A 38 9.657 1.983 -8.570 1.00 1.13 H new ATOM 0 HG2 GLU A 38 7.926 3.125 -9.882 1.00 63.42 H new ATOM 0 HG3 GLU A 38 8.915 4.567 -9.995 1.00 63.42 H new ATOM 598 N GLY A 39 11.076 3.715 -5.918 1.00 31.44 N ATOM 599 CA GLY A 39 11.833 3.346 -4.726 1.00 62.42 C ATOM 600 C GLY A 39 11.232 3.912 -3.439 1.00 4.55 C ATOM 601 O GLY A 39 11.227 3.244 -2.399 1.00 14.21 O ATOM 0 H GLY A 39 11.545 4.381 -6.533 1.00 31.44 H new ATOM 0 HA2 GLY A 39 11.878 2.259 -4.653 1.00 62.42 H new ATOM 0 HA3 GLY A 39 12.858 3.701 -4.829 1.00 62.42 H new ATOM 605 N PHE A 40 10.730 5.147 -3.507 1.00 30.51 N ATOM 606 CA PHE A 40 10.089 5.794 -2.354 1.00 10.04 C ATOM 607 C PHE A 40 8.855 5.007 -1.881 1.00 73.04 C ATOM 608 O PHE A 40 8.687 4.755 -0.684 1.00 34.42 O ATOM 609 CB PHE A 40 9.691 7.235 -2.705 1.00 4.14 C ATOM 610 CG PHE A 40 8.996 7.964 -1.579 1.00 1.21 C ATOM 611 CD1 PHE A 40 9.711 8.393 -0.472 1.00 41.13 C ATOM 612 CD2 PHE A 40 7.632 8.215 -1.630 1.00 51.12 C ATOM 613 CE1 PHE A 40 9.081 9.058 0.563 1.00 32.21 C ATOM 614 CE2 PHE A 40 6.998 8.880 -0.597 1.00 0.23 C ATOM 615 CZ PHE A 40 7.723 9.302 0.501 1.00 23.32 C ATOM 0 H PHE A 40 10.754 5.722 -4.349 1.00 30.51 H new ATOM 0 HA PHE A 40 10.812 5.810 -1.538 1.00 10.04 H new ATOM 0 HB2 PHE A 40 10.585 7.791 -2.989 1.00 4.14 H new ATOM 0 HB3 PHE A 40 9.035 7.220 -3.576 1.00 4.14 H new ATOM 0 HD1 PHE A 40 10.773 8.205 -0.417 1.00 41.13 H new ATOM 0 HD2 PHE A 40 7.060 7.887 -2.485 1.00 51.12 H new ATOM 0 HE1 PHE A 40 9.650 9.387 1.420 1.00 32.21 H new ATOM 0 HE2 PHE A 40 5.936 9.070 -0.648 1.00 0.23 H new ATOM 0 HZ PHE A 40 7.229 9.821 1.309 1.00 23.32 H new ATOM 625 N LEU A 41 7.994 4.627 -2.824 1.00 60.21 N ATOM 626 CA LEU A 41 6.799 3.837 -2.506 1.00 62.44 C ATOM 627 C LEU A 41 7.169 2.488 -1.869 1.00 11.23 C ATOM 628 O LEU A 41 6.644 2.130 -0.815 1.00 61.43 O ATOM 629 CB LEU A 41 5.952 3.608 -3.765 1.00 62.51 C ATOM 630 CG LEU A 41 5.300 4.870 -4.353 1.00 65.55 C ATOM 631 CD1 LEU A 41 4.584 4.547 -5.660 1.00 34.32 C ATOM 632 CD2 LEU A 41 4.334 5.499 -3.349 1.00 1.53 C ATOM 0 H LEU A 41 8.099 4.851 -3.813 1.00 60.21 H new ATOM 0 HA LEU A 41 6.214 4.405 -1.782 1.00 62.44 H new ATOM 0 HB2 LEU A 41 6.582 3.154 -4.530 1.00 62.51 H new ATOM 0 HB3 LEU A 41 5.167 2.889 -3.530 1.00 62.51 H new ATOM 0 HG LEU A 41 6.088 5.593 -4.565 1.00 65.55 H new ATOM 0 HD11 LEU A 41 4.129 5.454 -6.060 1.00 34.32 H new ATOM 0 HD12 LEU A 41 5.301 4.153 -6.380 1.00 34.32 H new ATOM 0 HD13 LEU A 41 3.809 3.803 -5.476 1.00 34.32 H new ATOM 0 HD21 LEU A 41 3.884 6.390 -3.786 1.00 1.53 H new ATOM 0 HD22 LEU A 41 3.551 4.783 -3.099 1.00 1.53 H new ATOM 0 HD23 LEU A 41 4.877 5.773 -2.444 1.00 1.53 H new ATOM 644 N GLN A 42 8.085 1.759 -2.507 1.00 73.42 N ATOM 645 CA GLN A 42 8.532 0.450 -2.006 1.00 24.42 C ATOM 646 C GLN A 42 8.998 0.542 -0.540 1.00 41.15 C ATOM 647 O GLN A 42 8.564 -0.239 0.311 1.00 41.32 O ATOM 648 CB GLN A 42 9.658 -0.091 -2.912 1.00 71.41 C ATOM 649 CG GLN A 42 10.087 -1.539 -2.638 1.00 55.03 C ATOM 650 CD GLN A 42 11.061 -1.693 -1.474 1.00 52.21 C ATOM 651 OE1 GLN A 42 10.548 -1.969 -0.293 1.00 33.20 O flip ATOM 652 NE2 GLN A 42 12.270 -1.594 -1.644 1.00 42.44 N flip ATOM 0 H GLN A 42 8.536 2.050 -3.375 1.00 73.42 H new ATOM 0 HA GLN A 42 7.690 -0.242 -2.033 1.00 24.42 H new ATOM 0 HB2 GLN A 42 9.333 -0.017 -3.950 1.00 71.41 H new ATOM 0 HB3 GLN A 42 10.530 0.555 -2.804 1.00 71.41 H new ATOM 0 HG2 GLN A 42 9.199 -2.137 -2.435 1.00 55.03 H new ATOM 0 HG3 GLN A 42 10.547 -1.946 -3.538 1.00 55.03 H new ATOM 0 HE21 GLN A 42 12.639 -1.379 -2.570 1.00 42.44 H new ATOM 0 HE22 GLN A 42 12.908 -1.726 -0.859 1.00 42.44 H new ATOM 661 N ALA A 43 9.871 1.506 -0.254 1.00 15.42 N ATOM 662 CA ALA A 43 10.395 1.704 1.104 1.00 11.14 C ATOM 663 C ALA A 43 9.295 2.123 2.099 1.00 14.25 C ATOM 664 O ALA A 43 9.243 1.633 3.230 1.00 1.12 O ATOM 665 CB ALA A 43 11.510 2.743 1.082 1.00 0.43 C ATOM 0 H ALA A 43 10.233 2.165 -0.943 1.00 15.42 H new ATOM 0 HA ALA A 43 10.791 0.748 1.447 1.00 11.14 H new ATOM 0 HB1 ALA A 43 11.895 2.885 2.092 1.00 0.43 H new ATOM 0 HB2 ALA A 43 12.315 2.399 0.432 1.00 0.43 H new ATOM 0 HB3 ALA A 43 11.119 3.688 0.706 1.00 0.43 H new ATOM 671 N SER A 44 8.416 3.027 1.670 1.00 34.24 N ATOM 672 CA SER A 44 7.337 3.543 2.534 1.00 45.15 C ATOM 673 C SER A 44 6.275 2.472 2.839 1.00 53.41 C ATOM 674 O SER A 44 5.706 2.443 3.929 1.00 0.14 O ATOM 675 CB SER A 44 6.661 4.764 1.887 1.00 15.02 C ATOM 676 OG SER A 44 7.574 5.841 1.729 1.00 4.21 O ATOM 0 H SER A 44 8.424 3.422 0.730 1.00 34.24 H new ATOM 0 HA SER A 44 7.801 3.837 3.476 1.00 45.15 H new ATOM 0 HB2 SER A 44 6.255 4.484 0.915 1.00 15.02 H new ATOM 0 HB3 SER A 44 5.821 5.085 2.503 1.00 15.02 H new ATOM 0 HG SER A 44 8.100 5.707 0.913 1.00 4.21 H new ATOM 682 N LEU A 45 6.009 1.595 1.872 1.00 61.13 N ATOM 683 CA LEU A 45 4.989 0.546 2.032 1.00 45.34 C ATOM 684 C LEU A 45 5.583 -0.751 2.614 1.00 0.35 C ATOM 685 O LEU A 45 4.852 -1.696 2.913 1.00 24.22 O ATOM 686 CB LEU A 45 4.330 0.252 0.675 1.00 73.23 C ATOM 687 CG LEU A 45 3.701 1.468 -0.032 1.00 42.24 C ATOM 688 CD1 LEU A 45 3.149 1.072 -1.399 1.00 60.53 C ATOM 689 CD2 LEU A 45 2.609 2.093 0.834 1.00 62.14 C ATOM 0 H LEU A 45 6.482 1.586 0.968 1.00 61.13 H new ATOM 0 HA LEU A 45 4.243 0.914 2.737 1.00 45.34 H new ATOM 0 HB2 LEU A 45 5.079 -0.184 0.014 1.00 73.23 H new ATOM 0 HB3 LEU A 45 3.556 -0.502 0.822 1.00 73.23 H new ATOM 0 HG LEU A 45 4.481 2.214 -0.184 1.00 42.24 H new ATOM 0 HD11 LEU A 45 2.710 1.945 -1.881 1.00 60.53 H new ATOM 0 HD12 LEU A 45 3.957 0.684 -2.019 1.00 60.53 H new ATOM 0 HD13 LEU A 45 2.386 0.304 -1.275 1.00 60.53 H new ATOM 0 HD21 LEU A 45 2.179 2.950 0.315 1.00 62.14 H new ATOM 0 HD22 LEU A 45 1.829 1.356 1.025 1.00 62.14 H new ATOM 0 HD23 LEU A 45 3.038 2.420 1.781 1.00 62.14 H new ATOM 701 N LYS A 46 6.905 -0.774 2.786 1.00 15.11 N ATOM 702 CA LYS A 46 7.631 -1.968 3.256 1.00 21.03 C ATOM 703 C LYS A 46 7.027 -2.566 4.546 1.00 21.01 C ATOM 704 O LYS A 46 6.871 -3.781 4.664 1.00 42.32 O ATOM 705 CB LYS A 46 9.106 -1.604 3.496 1.00 2.31 C ATOM 706 CG LYS A 46 9.997 -2.791 3.857 1.00 52.44 C ATOM 707 CD LYS A 46 11.390 -2.339 4.291 1.00 61.13 C ATOM 708 CE LYS A 46 12.296 -3.521 4.624 1.00 22.24 C ATOM 709 NZ LYS A 46 12.722 -4.270 3.411 1.00 54.13 N ATOM 0 H LYS A 46 7.507 0.029 2.606 1.00 15.11 H new ATOM 0 HA LYS A 46 7.544 -2.729 2.480 1.00 21.03 H new ATOM 0 HB2 LYS A 46 9.501 -1.128 2.598 1.00 2.31 H new ATOM 0 HB3 LYS A 46 9.160 -0.867 4.297 1.00 2.31 H new ATOM 0 HG2 LYS A 46 9.533 -3.363 4.660 1.00 52.44 H new ATOM 0 HG3 LYS A 46 10.081 -3.457 2.999 1.00 52.44 H new ATOM 0 HD2 LYS A 46 11.843 -1.747 3.496 1.00 61.13 H new ATOM 0 HD3 LYS A 46 11.306 -1.690 5.163 1.00 61.13 H new ATOM 0 HE2 LYS A 46 13.178 -3.161 5.154 1.00 22.24 H new ATOM 0 HE3 LYS A 46 11.772 -4.197 5.300 1.00 22.24 H new ATOM 0 HZ1 LYS A 46 13.160 -5.169 3.695 1.00 54.13 H new ATOM 0 HZ2 LYS A 46 11.893 -4.462 2.813 1.00 54.13 H new ATOM 0 HZ3 LYS A 46 13.411 -3.703 2.877 1.00 54.13 H new ATOM 723 N ASP A 47 6.693 -1.707 5.507 1.00 53.52 N ATOM 724 CA ASP A 47 6.189 -2.159 6.813 1.00 2.45 C ATOM 725 C ASP A 47 4.687 -2.506 6.787 1.00 64.31 C ATOM 726 O ASP A 47 4.130 -2.961 7.790 1.00 31.44 O ATOM 727 CB ASP A 47 6.475 -1.093 7.872 1.00 30.11 C ATOM 728 CG ASP A 47 7.965 -0.875 8.066 1.00 65.51 C ATOM 729 OD1 ASP A 47 8.552 -0.044 7.341 1.00 2.52 O ATOM 730 OD2 ASP A 47 8.561 -1.544 8.937 1.00 71.40 O ATOM 0 H ASP A 47 6.760 -0.694 5.411 1.00 53.52 H new ATOM 0 HA ASP A 47 6.715 -3.080 7.064 1.00 2.45 H new ATOM 0 HB2 ASP A 47 6.006 -0.154 7.578 1.00 30.11 H new ATOM 0 HB3 ASP A 47 6.025 -1.392 8.819 1.00 30.11 H new ATOM 735 N GLY A 48 4.031 -2.274 5.651 1.00 52.55 N ATOM 736 CA GLY A 48 2.626 -2.653 5.496 1.00 12.03 C ATOM 737 C GLY A 48 1.628 -1.726 6.198 1.00 23.35 C ATOM 738 O GLY A 48 0.483 -1.611 5.762 1.00 53.40 O ATOM 0 H GLY A 48 4.444 -1.830 4.831 1.00 52.55 H new ATOM 0 HA2 GLY A 48 2.387 -2.682 4.433 1.00 12.03 H new ATOM 0 HA3 GLY A 48 2.493 -3.664 5.880 1.00 12.03 H new ATOM 742 N VAL A 49 2.054 -1.067 7.278 1.00 32.44 N ATOM 743 CA VAL A 49 1.169 -0.185 8.060 1.00 43.50 C ATOM 744 C VAL A 49 0.423 0.824 7.167 1.00 53.43 C ATOM 745 O VAL A 49 -0.802 0.960 7.249 1.00 63.31 O ATOM 746 CB VAL A 49 1.964 0.593 9.140 1.00 32.23 C ATOM 747 CG1 VAL A 49 1.029 1.428 10.016 1.00 12.41 C ATOM 748 CG2 VAL A 49 2.797 -0.363 9.990 1.00 14.54 C ATOM 0 H VAL A 49 3.008 -1.124 7.636 1.00 32.44 H new ATOM 0 HA VAL A 49 0.438 -0.835 8.541 1.00 43.50 H new ATOM 0 HB VAL A 49 2.644 1.277 8.631 1.00 32.23 H new ATOM 0 HG11 VAL A 49 1.613 1.963 10.765 1.00 12.41 H new ATOM 0 HG12 VAL A 49 0.492 2.145 9.395 1.00 12.41 H new ATOM 0 HG13 VAL A 49 0.315 0.772 10.514 1.00 12.41 H new ATOM 0 HG21 VAL A 49 3.347 0.203 10.742 1.00 14.54 H new ATOM 0 HG22 VAL A 49 2.139 -1.078 10.484 1.00 14.54 H new ATOM 0 HG23 VAL A 49 3.501 -0.898 9.352 1.00 14.54 H new ATOM 758 N VAL A 50 1.170 1.524 6.310 1.00 41.51 N ATOM 759 CA VAL A 50 0.582 2.481 5.361 1.00 70.04 C ATOM 760 C VAL A 50 -0.476 1.811 4.461 1.00 41.30 C ATOM 761 O VAL A 50 -1.494 2.416 4.127 1.00 71.30 O ATOM 762 CB VAL A 50 1.677 3.138 4.476 1.00 41.52 C ATOM 763 CG1 VAL A 50 1.068 4.162 3.516 1.00 73.24 C ATOM 764 CG2 VAL A 50 2.756 3.784 5.347 1.00 25.52 C ATOM 0 H VAL A 50 2.185 1.448 6.251 1.00 41.51 H new ATOM 0 HA VAL A 50 0.093 3.254 5.954 1.00 70.04 H new ATOM 0 HB VAL A 50 2.142 2.355 3.877 1.00 41.52 H new ATOM 0 HG11 VAL A 50 1.857 4.606 2.909 1.00 73.24 H new ATOM 0 HG12 VAL A 50 0.346 3.667 2.867 1.00 73.24 H new ATOM 0 HG13 VAL A 50 0.567 4.943 4.087 1.00 73.24 H new ATOM 0 HG21 VAL A 50 3.514 4.239 4.709 1.00 25.52 H new ATOM 0 HG22 VAL A 50 2.304 4.550 5.977 1.00 25.52 H new ATOM 0 HG23 VAL A 50 3.219 3.024 5.976 1.00 25.52 H new ATOM 774 N LEU A 51 -0.237 0.551 4.093 1.00 12.54 N ATOM 775 CA LEU A 51 -1.182 -0.213 3.267 1.00 33.21 C ATOM 776 C LEU A 51 -2.488 -0.485 4.026 1.00 13.33 C ATOM 777 O LEU A 51 -3.581 -0.260 3.506 1.00 12.13 O ATOM 778 CB LEU A 51 -0.557 -1.547 2.834 1.00 3.13 C ATOM 779 CG LEU A 51 0.664 -1.441 1.908 1.00 4.04 C ATOM 780 CD1 LEU A 51 1.257 -2.823 1.646 1.00 63.32 C ATOM 781 CD2 LEU A 51 0.286 -0.759 0.593 1.00 71.44 C ATOM 0 H LEU A 51 0.603 0.035 4.353 1.00 12.54 H new ATOM 0 HA LEU A 51 -1.409 0.386 2.385 1.00 33.21 H new ATOM 0 HB2 LEU A 51 -0.265 -2.098 3.728 1.00 3.13 H new ATOM 0 HB3 LEU A 51 -1.321 -2.139 2.331 1.00 3.13 H new ATOM 0 HG LEU A 51 1.419 -0.831 2.404 1.00 4.04 H new ATOM 0 HD11 LEU A 51 2.121 -2.729 0.988 1.00 63.32 H new ATOM 0 HD12 LEU A 51 1.567 -3.271 2.590 1.00 63.32 H new ATOM 0 HD13 LEU A 51 0.507 -3.457 1.172 1.00 63.32 H new ATOM 0 HD21 LEU A 51 1.165 -0.694 -0.049 1.00 71.44 H new ATOM 0 HD22 LEU A 51 -0.488 -1.340 0.091 1.00 71.44 H new ATOM 0 HD23 LEU A 51 -0.089 0.244 0.798 1.00 71.44 H new ATOM 793 N CYS A 52 -2.367 -0.978 5.258 1.00 71.54 N ATOM 794 CA CYS A 52 -3.539 -1.254 6.101 1.00 72.23 C ATOM 795 C CYS A 52 -4.390 0.010 6.292 1.00 65.13 C ATOM 796 O CYS A 52 -5.612 -0.024 6.155 1.00 3.03 O ATOM 797 CB CYS A 52 -3.098 -1.798 7.463 1.00 23.35 C ATOM 798 SG CYS A 52 -2.041 -3.263 7.367 1.00 74.13 S ATOM 0 H CYS A 52 -1.473 -1.196 5.698 1.00 71.54 H new ATOM 0 HA CYS A 52 -4.147 -2.005 5.597 1.00 72.23 H new ATOM 0 HB2 CYS A 52 -2.565 -1.013 8.000 1.00 23.35 H new ATOM 0 HB3 CYS A 52 -3.984 -2.041 8.049 1.00 23.35 H new ATOM 0 HG CYS A 52 -2.272 -3.892 6.253 1.00 74.13 H new ATOM 804 N ARG A 53 -3.729 1.127 6.601 1.00 33.31 N ATOM 805 CA ARG A 53 -4.409 2.424 6.718 1.00 14.11 C ATOM 806 C ARG A 53 -5.060 2.824 5.384 1.00 51.10 C ATOM 807 O ARG A 53 -6.194 3.299 5.350 1.00 54.30 O ATOM 808 CB ARG A 53 -3.415 3.507 7.166 1.00 15.23 C ATOM 809 CG ARG A 53 -2.828 3.266 8.554 1.00 73.15 C ATOM 810 CD ARG A 53 -1.843 4.360 8.955 1.00 62.01 C ATOM 811 NE ARG A 53 -1.320 4.158 10.307 1.00 14.31 N ATOM 812 CZ ARG A 53 -0.346 4.853 10.829 1.00 54.00 C ATOM 813 NH1 ARG A 53 0.241 5.788 10.149 1.00 63.11 N ATOM 814 NH2 ARG A 53 0.040 4.615 12.038 1.00 63.41 N ATOM 0 H ARG A 53 -2.725 1.163 6.775 1.00 33.31 H new ATOM 0 HA ARG A 53 -5.194 2.330 7.468 1.00 14.11 H new ATOM 0 HB2 ARG A 53 -2.602 3.563 6.442 1.00 15.23 H new ATOM 0 HB3 ARG A 53 -3.917 4.474 7.157 1.00 15.23 H new ATOM 0 HG2 ARG A 53 -3.635 3.218 9.286 1.00 73.15 H new ATOM 0 HG3 ARG A 53 -2.324 2.300 8.572 1.00 73.15 H new ATOM 0 HD2 ARG A 53 -1.016 4.381 8.246 1.00 62.01 H new ATOM 0 HD3 ARG A 53 -2.336 5.330 8.898 1.00 62.01 H new ATOM 0 HE ARG A 53 -1.744 3.427 10.878 1.00 14.31 H new ATOM 0 HH11 ARG A 53 -0.057 5.988 9.194 1.00 63.11 H new ATOM 0 HH12 ARG A 53 1.001 6.324 10.569 1.00 63.11 H new ATOM 0 HH21 ARG A 53 -0.416 3.884 12.584 1.00 63.41 H new ATOM 0 HH22 ARG A 53 0.801 5.158 12.447 1.00 63.41 H new ATOM 828 N LEU A 54 -4.330 2.613 4.290 1.00 2.05 N ATOM 829 CA LEU A 54 -4.836 2.885 2.939 1.00 31.15 C ATOM 830 C LEU A 54 -6.169 2.161 2.687 1.00 2.21 C ATOM 831 O LEU A 54 -7.150 2.768 2.250 1.00 10.44 O ATOM 832 CB LEU A 54 -3.788 2.452 1.903 1.00 44.24 C ATOM 833 CG LEU A 54 -4.169 2.657 0.428 1.00 22.32 C ATOM 834 CD1 LEU A 54 -4.432 4.132 0.134 1.00 1.41 C ATOM 835 CD2 LEU A 54 -3.078 2.106 -0.489 1.00 45.30 C ATOM 0 H LEU A 54 -3.377 2.251 4.311 1.00 2.05 H new ATOM 0 HA LEU A 54 -5.019 3.956 2.846 1.00 31.15 H new ATOM 0 HB2 LEU A 54 -2.866 3.000 2.098 1.00 44.24 H new ATOM 0 HB3 LEU A 54 -3.570 1.395 2.057 1.00 44.24 H new ATOM 0 HG LEU A 54 -5.090 2.107 0.233 1.00 22.32 H new ATOM 0 HD11 LEU A 54 -4.700 4.252 -0.916 1.00 1.41 H new ATOM 0 HD12 LEU A 54 -5.250 4.487 0.760 1.00 1.41 H new ATOM 0 HD13 LEU A 54 -3.534 4.711 0.348 1.00 1.41 H new ATOM 0 HD21 LEU A 54 -3.365 2.260 -1.529 1.00 45.30 H new ATOM 0 HD22 LEU A 54 -2.140 2.625 -0.291 1.00 45.30 H new ATOM 0 HD23 LEU A 54 -2.950 1.040 -0.302 1.00 45.30 H new ATOM 847 N LEU A 55 -6.200 0.866 2.990 1.00 21.44 N ATOM 848 CA LEU A 55 -7.407 0.058 2.804 1.00 74.22 C ATOM 849 C LEU A 55 -8.517 0.470 3.789 1.00 5.15 C ATOM 850 O LEU A 55 -9.691 0.465 3.440 1.00 24.02 O ATOM 851 CB LEU A 55 -7.078 -1.433 2.960 1.00 23.24 C ATOM 852 CG LEU A 55 -8.223 -2.402 2.616 1.00 43.30 C ATOM 853 CD1 LEU A 55 -8.695 -2.196 1.176 1.00 64.42 C ATOM 854 CD2 LEU A 55 -7.787 -3.849 2.836 1.00 53.24 C ATOM 0 H LEU A 55 -5.404 0.351 3.366 1.00 21.44 H new ATOM 0 HA LEU A 55 -7.777 0.235 1.794 1.00 74.22 H new ATOM 0 HB2 LEU A 55 -6.224 -1.667 2.325 1.00 23.24 H new ATOM 0 HB3 LEU A 55 -6.769 -1.614 3.990 1.00 23.24 H new ATOM 0 HG LEU A 55 -9.059 -2.190 3.282 1.00 43.30 H new ATOM 0 HD11 LEU A 55 -9.505 -2.892 0.955 1.00 64.42 H new ATOM 0 HD12 LEU A 55 -9.052 -1.173 1.053 1.00 64.42 H new ATOM 0 HD13 LEU A 55 -7.866 -2.376 0.492 1.00 64.42 H new ATOM 0 HD21 LEU A 55 -8.610 -4.519 2.587 1.00 53.24 H new ATOM 0 HD22 LEU A 55 -6.932 -4.072 2.198 1.00 53.24 H new ATOM 0 HD23 LEU A 55 -7.507 -3.990 3.880 1.00 53.24 H new ATOM 866 N GLU A 56 -8.138 0.842 5.012 1.00 53.13 N ATOM 867 CA GLU A 56 -9.110 1.290 6.026 1.00 1.12 C ATOM 868 C GLU A 56 -9.649 2.702 5.736 1.00 63.30 C ATOM 869 O GLU A 56 -10.610 3.149 6.362 1.00 44.12 O ATOM 870 CB GLU A 56 -8.484 1.240 7.429 1.00 63.44 C ATOM 871 CG GLU A 56 -8.285 -0.177 7.967 1.00 3.41 C ATOM 872 CD GLU A 56 -9.597 -0.892 8.274 1.00 31.12 C ATOM 873 OE1 GLU A 56 -10.207 -1.465 7.348 1.00 43.34 O ATOM 874 OE2 GLU A 56 -10.024 -0.884 9.450 1.00 2.31 O ATOM 0 H GLU A 56 -7.169 0.844 5.330 1.00 53.13 H new ATOM 0 HA GLU A 56 -9.956 0.604 5.983 1.00 1.12 H new ATOM 0 HB2 GLU A 56 -7.520 1.748 7.405 1.00 63.44 H new ATOM 0 HB3 GLU A 56 -9.119 1.795 8.120 1.00 63.44 H new ATOM 0 HG2 GLU A 56 -7.723 -0.760 7.238 1.00 3.41 H new ATOM 0 HG3 GLU A 56 -7.682 -0.133 8.874 1.00 3.41 H new ATOM 881 N ARG A 57 -9.017 3.412 4.806 1.00 15.23 N ATOM 882 CA ARG A 57 -9.524 4.712 4.348 1.00 51.31 C ATOM 883 C ARG A 57 -10.593 4.536 3.258 1.00 72.40 C ATOM 884 O ARG A 57 -11.661 5.147 3.309 1.00 21.12 O ATOM 885 CB ARG A 57 -8.371 5.580 3.818 1.00 73.41 C ATOM 886 CG ARG A 57 -7.451 6.127 4.905 1.00 2.53 C ATOM 887 CD ARG A 57 -8.199 7.034 5.880 1.00 60.43 C ATOM 888 NE ARG A 57 -8.886 8.132 5.199 1.00 53.05 N ATOM 889 CZ ARG A 57 -9.688 8.978 5.791 1.00 14.24 C ATOM 890 NH1 ARG A 57 -9.925 8.890 7.060 1.00 41.33 N ATOM 891 NH2 ARG A 57 -10.255 9.915 5.106 1.00 54.21 N ATOM 0 H ARG A 57 -8.154 3.114 4.352 1.00 15.23 H new ATOM 0 HA ARG A 57 -9.983 5.212 5.201 1.00 51.31 H new ATOM 0 HB2 ARG A 57 -7.778 4.990 3.119 1.00 73.41 H new ATOM 0 HB3 ARG A 57 -8.788 6.416 3.256 1.00 73.41 H new ATOM 0 HG2 ARG A 57 -7.002 5.298 5.452 1.00 2.53 H new ATOM 0 HG3 ARG A 57 -6.635 6.684 4.444 1.00 2.53 H new ATOM 0 HD2 ARG A 57 -8.926 6.444 6.438 1.00 60.43 H new ATOM 0 HD3 ARG A 57 -7.496 7.442 6.606 1.00 60.43 H new ATOM 0 HE ARG A 57 -8.729 8.245 4.197 1.00 53.05 H new ATOM 0 HH11 ARG A 57 -9.484 8.154 7.611 1.00 41.33 H new ATOM 0 HH12 ARG A 57 -10.553 9.557 7.509 1.00 41.33 H new ATOM 0 HH21 ARG A 57 -10.077 9.994 4.105 1.00 54.21 H new ATOM 0 HH22 ARG A 57 -10.881 10.576 5.566 1.00 54.21 H new ATOM 905 N LEU A 58 -10.292 3.696 2.275 1.00 11.01 N ATOM 906 CA LEU A 58 -11.213 3.440 1.161 1.00 31.24 C ATOM 907 C LEU A 58 -12.306 2.422 1.547 1.00 41.40 C ATOM 908 O LEU A 58 -13.483 2.611 1.234 1.00 11.33 O ATOM 909 CB LEU A 58 -10.415 2.948 -0.054 1.00 41.32 C ATOM 910 CG LEU A 58 -9.297 3.903 -0.519 1.00 65.44 C ATOM 911 CD1 LEU A 58 -8.502 3.295 -1.671 1.00 53.41 C ATOM 912 CD2 LEU A 58 -9.873 5.263 -0.917 1.00 52.23 C ATOM 0 H LEU A 58 -9.416 3.176 2.222 1.00 11.01 H new ATOM 0 HA LEU A 58 -11.720 4.372 0.910 1.00 31.24 H new ATOM 0 HB2 LEU A 58 -9.972 1.981 0.186 1.00 41.32 H new ATOM 0 HB3 LEU A 58 -11.104 2.786 -0.883 1.00 41.32 H new ATOM 0 HG LEU A 58 -8.616 4.054 0.318 1.00 65.44 H new ATOM 0 HD11 LEU A 58 -7.720 3.989 -1.980 1.00 53.41 H new ATOM 0 HD12 LEU A 58 -8.049 2.359 -1.346 1.00 53.41 H new ATOM 0 HD13 LEU A 58 -9.169 3.103 -2.512 1.00 53.41 H new ATOM 0 HD21 LEU A 58 -9.065 5.919 -1.241 1.00 52.23 H new ATOM 0 HD22 LEU A 58 -10.584 5.132 -1.733 1.00 52.23 H new ATOM 0 HD23 LEU A 58 -10.380 5.708 -0.061 1.00 52.23 H new ATOM 924 N LEU A 59 -11.907 1.351 2.229 1.00 32.31 N ATOM 925 CA LEU A 59 -12.844 0.327 2.726 1.00 3.30 C ATOM 926 C LEU A 59 -12.685 0.113 4.248 1.00 25.35 C ATOM 927 O LEU A 59 -12.138 -0.903 4.684 1.00 3.31 O ATOM 928 CB LEU A 59 -12.611 -1.010 1.995 1.00 72.45 C ATOM 929 CG LEU A 59 -12.909 -1.012 0.486 1.00 30.14 C ATOM 930 CD1 LEU A 59 -12.508 -2.346 -0.139 1.00 71.13 C ATOM 931 CD2 LEU A 59 -14.386 -0.724 0.226 1.00 13.44 C ATOM 0 H LEU A 59 -10.931 1.162 2.456 1.00 32.31 H new ATOM 0 HA LEU A 59 -13.856 0.681 2.528 1.00 3.30 H new ATOM 0 HB2 LEU A 59 -11.572 -1.305 2.141 1.00 72.45 H new ATOM 0 HB3 LEU A 59 -13.229 -1.773 2.469 1.00 72.45 H new ATOM 0 HG LEU A 59 -12.319 -0.222 0.022 1.00 30.14 H new ATOM 0 HD11 LEU A 59 -12.727 -2.328 -1.207 1.00 71.13 H new ATOM 0 HD12 LEU A 59 -11.441 -2.512 0.010 1.00 71.13 H new ATOM 0 HD13 LEU A 59 -13.070 -3.152 0.333 1.00 71.13 H new ATOM 0 HD21 LEU A 59 -14.574 -0.730 -0.848 1.00 13.44 H new ATOM 0 HD22 LEU A 59 -14.996 -1.489 0.706 1.00 13.44 H new ATOM 0 HD23 LEU A 59 -14.643 0.253 0.634 1.00 13.44 H new ATOM 943 N PRO A 60 -13.165 1.065 5.076 1.00 34.11 N ATOM 944 CA PRO A 60 -13.008 0.998 6.545 1.00 52.15 C ATOM 945 C PRO A 60 -13.729 -0.204 7.183 1.00 11.44 C ATOM 946 O PRO A 60 -14.854 -0.553 6.798 1.00 11.21 O ATOM 947 CB PRO A 60 -13.618 2.324 7.034 1.00 20.41 C ATOM 948 CG PRO A 60 -14.529 2.759 5.935 1.00 32.34 C ATOM 949 CD PRO A 60 -13.900 2.272 4.656 1.00 65.13 C ATOM 0 HA PRO A 60 -11.964 0.862 6.826 1.00 52.15 H new ATOM 0 HB2 PRO A 60 -14.163 2.187 7.968 1.00 20.41 H new ATOM 0 HB3 PRO A 60 -12.844 3.068 7.223 1.00 20.41 H new ATOM 0 HG2 PRO A 60 -15.526 2.337 6.065 1.00 32.34 H new ATOM 0 HG3 PRO A 60 -14.640 3.843 5.927 1.00 32.34 H new ATOM 0 HD2 PRO A 60 -14.651 2.043 3.900 1.00 65.13 H new ATOM 0 HD3 PRO A 60 -13.233 3.019 4.226 1.00 65.13 H new ATOM 957 N GLY A 61 -13.070 -0.839 8.151 1.00 13.51 N ATOM 958 CA GLY A 61 -13.660 -1.973 8.859 1.00 15.32 C ATOM 959 C GLY A 61 -13.195 -3.326 8.321 1.00 14.13 C ATOM 960 O GLY A 61 -13.617 -4.379 8.810 1.00 14.15 O ATOM 0 H GLY A 61 -12.131 -0.589 8.462 1.00 13.51 H new ATOM 0 HA2 GLY A 61 -13.408 -1.904 9.917 1.00 15.32 H new ATOM 0 HA3 GLY A 61 -14.746 -1.914 8.786 1.00 15.32 H new ATOM 964 N THR A 62 -12.319 -3.296 7.320 1.00 51.40 N ATOM 965 CA THR A 62 -11.804 -4.519 6.691 1.00 13.14 C ATOM 966 C THR A 62 -10.611 -5.087 7.473 1.00 2.02 C ATOM 967 O THR A 62 -10.603 -6.263 7.853 1.00 74.12 O ATOM 968 CB THR A 62 -11.379 -4.258 5.222 1.00 21.15 C ATOM 969 OG1 THR A 62 -12.495 -3.753 4.470 1.00 74.52 O ATOM 970 CG2 THR A 62 -10.858 -5.527 4.555 1.00 14.41 C ATOM 0 H THR A 62 -11.946 -2.434 6.922 1.00 51.40 H new ATOM 0 HA THR A 62 -12.614 -5.249 6.702 1.00 13.14 H new ATOM 0 HB THR A 62 -10.575 -3.522 5.237 1.00 21.15 H new ATOM 0 HG1 THR A 62 -12.477 -2.773 4.476 1.00 74.52 H new ATOM 0 HG21 THR A 62 -10.570 -5.306 3.527 1.00 14.41 H new ATOM 0 HG22 THR A 62 -9.992 -5.897 5.103 1.00 14.41 H new ATOM 0 HG23 THR A 62 -11.640 -6.286 4.557 1.00 14.41 H new ATOM 978 N ILE A 63 -9.609 -4.246 7.727 1.00 42.33 N ATOM 979 CA ILE A 63 -8.434 -4.657 8.499 1.00 21.24 C ATOM 980 C ILE A 63 -8.766 -4.728 9.999 1.00 4.20 C ATOM 981 O ILE A 63 -8.657 -3.737 10.726 1.00 1.34 O ATOM 982 CB ILE A 63 -7.233 -3.701 8.267 1.00 62.21 C ATOM 983 CG1 ILE A 63 -6.910 -3.599 6.767 1.00 53.33 C ATOM 984 CG2 ILE A 63 -6.006 -4.169 9.052 1.00 55.13 C ATOM 985 CD1 ILE A 63 -6.528 -4.920 6.130 1.00 63.10 C ATOM 0 H ILE A 63 -9.586 -3.277 7.410 1.00 42.33 H new ATOM 0 HA ILE A 63 -8.149 -5.649 8.150 1.00 21.24 H new ATOM 0 HB ILE A 63 -7.509 -2.711 8.629 1.00 62.21 H new ATOM 0 HG12 ILE A 63 -7.777 -3.193 6.246 1.00 53.33 H new ATOM 0 HG13 ILE A 63 -6.093 -2.890 6.629 1.00 53.33 H new ATOM 0 HG21 ILE A 63 -5.177 -3.484 8.874 1.00 55.13 H new ATOM 0 HG22 ILE A 63 -6.240 -4.187 10.116 1.00 55.13 H new ATOM 0 HG23 ILE A 63 -5.725 -5.170 8.726 1.00 55.13 H new ATOM 0 HD11 ILE A 63 -6.315 -4.766 5.072 1.00 63.10 H new ATOM 0 HD12 ILE A 63 -5.642 -5.320 6.624 1.00 63.10 H new ATOM 0 HD13 ILE A 63 -7.352 -5.626 6.235 1.00 63.10 H new ATOM 997 N GLU A 64 -9.199 -5.909 10.441 1.00 24.55 N ATOM 998 CA GLU A 64 -9.605 -6.126 11.836 1.00 71.21 C ATOM 999 C GLU A 64 -8.436 -5.918 12.814 1.00 24.24 C ATOM 1000 O GLU A 64 -8.603 -5.338 13.890 1.00 25.13 O ATOM 1001 CB GLU A 64 -10.170 -7.544 11.993 1.00 14.13 C ATOM 1002 CG GLU A 64 -10.729 -7.846 13.380 1.00 4.10 C ATOM 1003 CD GLU A 64 -11.294 -9.254 13.487 1.00 15.14 C ATOM 1004 OE1 GLU A 64 -12.389 -9.501 12.935 1.00 14.31 O ATOM 1005 OE2 GLU A 64 -10.641 -10.118 14.114 1.00 21.11 O ATOM 0 H GLU A 64 -9.279 -6.737 9.851 1.00 24.55 H new ATOM 0 HA GLU A 64 -10.372 -5.390 12.079 1.00 71.21 H new ATOM 0 HB2 GLU A 64 -10.959 -7.692 11.256 1.00 14.13 H new ATOM 0 HB3 GLU A 64 -9.383 -8.263 11.766 1.00 14.13 H new ATOM 0 HG2 GLU A 64 -9.941 -7.717 14.122 1.00 4.10 H new ATOM 0 HG3 GLU A 64 -11.511 -7.125 13.618 1.00 4.10 H new ATOM 1012 N LYS A 65 -7.256 -6.398 12.435 1.00 64.43 N ATOM 1013 CA LYS A 65 -6.050 -6.254 13.257 1.00 3.53 C ATOM 1014 C LYS A 65 -4.850 -5.823 12.404 1.00 54.23 C ATOM 1015 O LYS A 65 -4.690 -6.276 11.269 1.00 2.34 O ATOM 1016 CB LYS A 65 -5.739 -7.576 13.987 1.00 75.41 C ATOM 1017 CG LYS A 65 -4.420 -7.569 14.763 1.00 63.35 C ATOM 1018 CD LYS A 65 -4.385 -6.468 15.823 1.00 41.42 C ATOM 1019 CE LYS A 65 -3.014 -6.350 16.473 1.00 2.44 C ATOM 1020 NZ LYS A 65 -2.943 -5.207 17.420 1.00 15.04 N ATOM 0 H LYS A 65 -7.104 -6.895 11.557 1.00 64.43 H new ATOM 0 HA LYS A 65 -6.236 -5.477 13.998 1.00 3.53 H new ATOM 0 HB2 LYS A 65 -6.553 -7.797 14.678 1.00 75.41 H new ATOM 0 HB3 LYS A 65 -5.713 -8.384 13.256 1.00 75.41 H new ATOM 0 HG2 LYS A 65 -4.276 -8.538 15.242 1.00 63.35 H new ATOM 0 HG3 LYS A 65 -3.591 -7.430 14.068 1.00 63.35 H new ATOM 0 HD2 LYS A 65 -4.653 -5.515 15.366 1.00 41.42 H new ATOM 0 HD3 LYS A 65 -5.133 -6.677 16.588 1.00 41.42 H new ATOM 0 HE2 LYS A 65 -2.783 -7.274 17.003 1.00 2.44 H new ATOM 0 HE3 LYS A 65 -2.256 -6.228 15.700 1.00 2.44 H new ATOM 0 HZ1 LYS A 65 -1.993 -5.163 17.840 1.00 15.04 H new ATOM 0 HZ2 LYS A 65 -3.138 -4.321 16.911 1.00 15.04 H new ATOM 0 HZ3 LYS A 65 -3.649 -5.336 18.173 1.00 15.04 H new ATOM 1034 N VAL A 66 -4.023 -4.938 12.952 1.00 64.35 N ATOM 1035 CA VAL A 66 -2.805 -4.484 12.279 1.00 61.22 C ATOM 1036 C VAL A 66 -1.698 -4.168 13.298 1.00 62.12 C ATOM 1037 O VAL A 66 -1.974 -3.898 14.470 1.00 70.14 O ATOM 1038 CB VAL A 66 -3.085 -3.228 11.408 1.00 5.14 C ATOM 1039 CG1 VAL A 66 -3.585 -2.065 12.264 1.00 44.24 C ATOM 1040 CG2 VAL A 66 -1.847 -2.827 10.605 1.00 13.50 C ATOM 0 H VAL A 66 -4.174 -4.516 13.868 1.00 64.35 H new ATOM 0 HA VAL A 66 -2.469 -5.294 11.632 1.00 61.22 H new ATOM 0 HB VAL A 66 -3.873 -3.484 10.700 1.00 5.14 H new ATOM 0 HG11 VAL A 66 -3.773 -1.200 11.628 1.00 44.24 H new ATOM 0 HG12 VAL A 66 -4.508 -2.354 12.766 1.00 44.24 H new ATOM 0 HG13 VAL A 66 -2.831 -1.811 13.009 1.00 44.24 H new ATOM 0 HG21 VAL A 66 -2.072 -1.945 10.005 1.00 13.50 H new ATOM 0 HG22 VAL A 66 -1.028 -2.602 11.288 1.00 13.50 H new ATOM 0 HG23 VAL A 66 -1.557 -3.648 9.949 1.00 13.50 H new ATOM 1050 N TYR A 67 -0.443 -4.230 12.859 1.00 24.14 N ATOM 1051 CA TYR A 67 0.694 -3.853 13.703 1.00 20.44 C ATOM 1052 C TYR A 67 1.229 -2.467 13.302 1.00 74.32 C ATOM 1053 O TYR A 67 2.019 -2.350 12.362 1.00 4.12 O ATOM 1054 CB TYR A 67 1.812 -4.902 13.600 1.00 31.30 C ATOM 1055 CG TYR A 67 1.360 -6.309 13.952 1.00 30.30 C ATOM 1056 CD1 TYR A 67 0.617 -6.551 15.105 1.00 71.51 C ATOM 1057 CD2 TYR A 67 1.669 -7.390 13.134 1.00 73.42 C ATOM 1058 CE1 TYR A 67 0.200 -7.827 15.430 1.00 31.33 C ATOM 1059 CE2 TYR A 67 1.255 -8.669 13.454 1.00 61.23 C ATOM 1060 CZ TYR A 67 0.521 -8.882 14.602 1.00 45.35 C ATOM 1061 OH TYR A 67 0.108 -10.156 14.926 1.00 60.44 O ATOM 0 H TYR A 67 -0.185 -4.538 11.922 1.00 24.14 H new ATOM 0 HA TYR A 67 0.352 -3.808 14.737 1.00 20.44 H new ATOM 0 HB2 TYR A 67 2.208 -4.900 12.585 1.00 31.30 H new ATOM 0 HB3 TYR A 67 2.629 -4.616 14.262 1.00 31.30 H new ATOM 0 HD1 TYR A 67 0.363 -5.727 15.756 1.00 71.51 H new ATOM 0 HD2 TYR A 67 2.242 -7.227 12.233 1.00 73.42 H new ATOM 0 HE1 TYR A 67 -0.375 -7.998 16.328 1.00 31.33 H new ATOM 0 HE2 TYR A 67 1.505 -9.498 12.808 1.00 61.23 H new ATOM 0 HH TYR A 67 0.415 -10.784 14.239 1.00 60.44 H new ATOM 1071 N PRO A 68 0.807 -1.397 14.012 1.00 33.12 N ATOM 1072 CA PRO A 68 1.218 -0.013 13.699 1.00 4.10 C ATOM 1073 C PRO A 68 2.639 0.307 14.187 1.00 22.44 C ATOM 1074 O PRO A 68 3.084 1.454 14.150 1.00 43.14 O ATOM 1075 CB PRO A 68 0.187 0.817 14.469 1.00 75.12 C ATOM 1076 CG PRO A 68 -0.120 -0.019 15.665 1.00 42.30 C ATOM 1077 CD PRO A 68 -0.102 -1.446 15.179 1.00 10.34 C ATOM 0 HA PRO A 68 1.246 0.181 12.627 1.00 4.10 H new ATOM 0 HB2 PRO A 68 0.588 1.790 14.753 1.00 75.12 H new ATOM 0 HB3 PRO A 68 -0.705 1.002 13.871 1.00 75.12 H new ATOM 0 HG2 PRO A 68 0.618 0.136 16.452 1.00 42.30 H new ATOM 0 HG3 PRO A 68 -1.092 0.240 16.085 1.00 42.30 H new ATOM 0 HD2 PRO A 68 0.265 -2.128 15.946 1.00 10.34 H new ATOM 0 HD3 PRO A 68 -1.098 -1.788 14.899 1.00 10.34 H new ATOM 1085 N GLU A 69 3.331 -0.721 14.665 1.00 0.21 N ATOM 1086 CA GLU A 69 4.698 -0.593 15.175 1.00 74.32 C ATOM 1087 C GLU A 69 5.489 -1.904 14.974 1.00 0.44 C ATOM 1088 O GLU A 69 5.863 -2.577 15.933 1.00 42.23 O ATOM 1089 CB GLU A 69 4.643 -0.199 16.659 1.00 30.44 C ATOM 1090 CG GLU A 69 3.713 -1.081 17.488 1.00 62.54 C ATOM 1091 CD GLU A 69 3.550 -0.588 18.913 1.00 4.50 C ATOM 1092 OE1 GLU A 69 2.885 0.449 19.114 1.00 23.22 O ATOM 1093 OE2 GLU A 69 4.088 -1.230 19.839 1.00 31.10 O ATOM 0 H GLU A 69 2.962 -1.671 14.711 1.00 0.21 H new ATOM 0 HA GLU A 69 5.220 0.184 14.618 1.00 74.32 H new ATOM 0 HB2 GLU A 69 5.648 -0.250 17.078 1.00 30.44 H new ATOM 0 HB3 GLU A 69 4.316 0.838 16.740 1.00 30.44 H new ATOM 0 HG2 GLU A 69 2.735 -1.121 17.008 1.00 62.54 H new ATOM 0 HG3 GLU A 69 4.103 -2.099 17.503 1.00 62.54 H new ATOM 1100 N PRO A 70 5.752 -2.282 13.708 1.00 60.44 N ATOM 1101 CA PRO A 70 6.415 -3.552 13.380 1.00 71.13 C ATOM 1102 C PRO A 70 7.954 -3.484 13.463 1.00 14.13 C ATOM 1103 O PRO A 70 8.594 -2.695 12.764 1.00 23.21 O ATOM 1104 CB PRO A 70 5.952 -3.797 11.941 1.00 72.24 C ATOM 1105 CG PRO A 70 5.800 -2.430 11.353 1.00 23.14 C ATOM 1106 CD PRO A 70 5.426 -1.506 12.492 1.00 30.35 C ATOM 0 HA PRO A 70 6.156 -4.345 14.082 1.00 71.13 H new ATOM 0 HB2 PRO A 70 6.680 -4.388 11.386 1.00 72.24 H new ATOM 0 HB3 PRO A 70 5.011 -4.346 11.916 1.00 72.24 H new ATOM 0 HG2 PRO A 70 6.728 -2.106 10.881 1.00 23.14 H new ATOM 0 HG3 PRO A 70 5.030 -2.424 10.581 1.00 23.14 H new ATOM 0 HD2 PRO A 70 5.990 -0.574 12.451 1.00 30.35 H new ATOM 0 HD3 PRO A 70 4.369 -1.241 12.460 1.00 30.35 H new ATOM 1114 N ARG A 71 8.544 -4.321 14.319 1.00 51.41 N ATOM 1115 CA ARG A 71 10.005 -4.367 14.481 1.00 15.20 C ATOM 1116 C ARG A 71 10.660 -5.295 13.442 1.00 21.45 C ATOM 1117 O ARG A 71 11.676 -4.946 12.834 1.00 14.03 O ATOM 1118 CB ARG A 71 10.387 -4.842 15.895 1.00 33.32 C ATOM 1119 CG ARG A 71 10.115 -3.842 17.022 1.00 62.32 C ATOM 1120 CD ARG A 71 8.629 -3.528 17.190 1.00 43.03 C ATOM 1121 NE ARG A 71 8.338 -2.943 18.501 1.00 41.15 N ATOM 1122 CZ ARG A 71 7.783 -1.776 18.690 1.00 71.20 C ATOM 1123 NH1 ARG A 71 7.540 -0.986 17.694 1.00 44.02 N ATOM 1124 NH2 ARG A 71 7.502 -1.390 19.888 1.00 74.54 N ATOM 0 H ARG A 71 8.036 -4.977 14.912 1.00 51.41 H new ATOM 0 HA ARG A 71 10.374 -3.353 14.327 1.00 15.20 H new ATOM 0 HB2 ARG A 71 9.843 -5.762 16.110 1.00 33.32 H new ATOM 0 HB3 ARG A 71 11.448 -5.091 15.902 1.00 33.32 H new ATOM 0 HG2 ARG A 71 10.505 -4.242 17.958 1.00 62.32 H new ATOM 0 HG3 ARG A 71 10.656 -2.918 16.820 1.00 62.32 H new ATOM 0 HD2 ARG A 71 8.313 -2.839 16.407 1.00 43.03 H new ATOM 0 HD3 ARG A 71 8.049 -4.442 17.064 1.00 43.03 H new ATOM 0 HE ARG A 71 8.587 -3.487 19.327 1.00 41.15 H new ATOM 0 HH11 ARG A 71 7.782 -1.272 16.745 1.00 44.02 H new ATOM 0 HH12 ARG A 71 7.106 -0.078 17.858 1.00 44.02 H new ATOM 0 HH21 ARG A 71 7.713 -1.995 20.682 1.00 74.54 H new ATOM 0 HH22 ARG A 71 7.069 -0.480 20.042 1.00 74.54 H new ATOM 1138 N SER A 72 10.078 -6.481 13.251 1.00 41.42 N ATOM 1139 CA SER A 72 10.653 -7.502 12.353 1.00 3.21 C ATOM 1140 C SER A 72 9.687 -7.900 11.222 1.00 11.21 C ATOM 1141 O SER A 72 8.524 -7.489 11.201 1.00 3.14 O ATOM 1142 CB SER A 72 11.054 -8.746 13.159 1.00 13.34 C ATOM 1143 OG SER A 72 12.046 -8.440 14.133 1.00 50.35 O ATOM 0 H SER A 72 9.209 -6.764 13.703 1.00 41.42 H new ATOM 0 HA SER A 72 11.535 -7.062 11.888 1.00 3.21 H new ATOM 0 HB2 SER A 72 10.175 -9.160 13.652 1.00 13.34 H new ATOM 0 HB3 SER A 72 11.431 -9.513 12.483 1.00 13.34 H new ATOM 0 HG SER A 72 12.278 -9.252 14.630 1.00 50.35 H new ATOM 1149 N GLU A 73 10.176 -8.732 10.300 1.00 31.33 N ATOM 1150 CA GLU A 73 9.423 -9.115 9.095 1.00 25.33 C ATOM 1151 C GLU A 73 8.061 -9.752 9.415 1.00 44.11 C ATOM 1152 O GLU A 73 7.043 -9.378 8.835 1.00 42.40 O ATOM 1153 CB GLU A 73 10.249 -10.088 8.247 1.00 41.13 C ATOM 1154 CG GLU A 73 11.622 -9.560 7.858 1.00 32.55 C ATOM 1155 CD GLU A 73 12.351 -10.486 6.903 1.00 12.32 C ATOM 1156 OE1 GLU A 73 12.899 -11.513 7.359 1.00 35.04 O ATOM 1157 OE2 GLU A 73 12.372 -10.199 5.690 1.00 1.30 O ATOM 0 H GLU A 73 11.100 -9.159 10.363 1.00 31.33 H new ATOM 0 HA GLU A 73 9.231 -8.195 8.543 1.00 25.33 H new ATOM 0 HB2 GLU A 73 10.373 -11.020 8.799 1.00 41.13 H new ATOM 0 HB3 GLU A 73 9.693 -10.326 7.340 1.00 41.13 H new ATOM 0 HG2 GLU A 73 11.513 -8.579 7.396 1.00 32.55 H new ATOM 0 HG3 GLU A 73 12.223 -9.424 8.757 1.00 32.55 H new ATOM 1164 N SER A 74 8.045 -10.715 10.334 1.00 50.13 N ATOM 1165 CA SER A 74 6.807 -11.429 10.699 1.00 21.53 C ATOM 1166 C SER A 74 5.675 -10.464 11.100 1.00 61.14 C ATOM 1167 O SER A 74 4.495 -10.810 11.024 1.00 54.24 O ATOM 1168 CB SER A 74 7.083 -12.423 11.836 1.00 4.23 C ATOM 1169 OG SER A 74 8.055 -13.386 11.449 1.00 43.53 O ATOM 0 H SER A 74 8.872 -11.025 10.844 1.00 50.13 H new ATOM 0 HA SER A 74 6.473 -11.972 9.815 1.00 21.53 H new ATOM 0 HB2 SER A 74 7.431 -11.885 12.718 1.00 4.23 H new ATOM 0 HB3 SER A 74 6.158 -12.927 12.115 1.00 4.23 H new ATOM 0 HG SER A 74 8.214 -14.006 12.191 1.00 43.53 H new ATOM 1175 N GLU A 75 6.042 -9.256 11.524 1.00 33.33 N ATOM 1176 CA GLU A 75 5.062 -8.206 11.830 1.00 3.11 C ATOM 1177 C GLU A 75 4.660 -7.440 10.554 1.00 40.51 C ATOM 1178 O GLU A 75 3.488 -7.412 10.175 1.00 73.52 O ATOM 1179 CB GLU A 75 5.647 -7.235 12.865 1.00 2.00 C ATOM 1180 CG GLU A 75 5.974 -7.884 14.206 1.00 31.20 C ATOM 1181 CD GLU A 75 6.792 -6.980 15.114 1.00 32.04 C ATOM 1182 OE1 GLU A 75 6.219 -6.056 15.724 1.00 70.44 O ATOM 1183 OE2 GLU A 75 8.021 -7.182 15.213 1.00 3.21 O ATOM 0 H GLU A 75 7.013 -8.976 11.665 1.00 33.33 H new ATOM 0 HA GLU A 75 4.168 -8.676 12.240 1.00 3.11 H new ATOM 0 HB2 GLU A 75 6.554 -6.789 12.458 1.00 2.00 H new ATOM 0 HB3 GLU A 75 4.938 -6.423 13.029 1.00 2.00 H new ATOM 0 HG2 GLU A 75 5.046 -8.154 14.710 1.00 31.20 H new ATOM 0 HG3 GLU A 75 6.523 -8.810 14.032 1.00 31.20 H new ATOM 1190 N CYS A 76 5.652 -6.839 9.893 1.00 14.43 N ATOM 1191 CA CYS A 76 5.427 -6.040 8.675 1.00 22.42 C ATOM 1192 C CYS A 76 4.691 -6.845 7.591 1.00 50.15 C ATOM 1193 O CYS A 76 3.675 -6.405 7.052 1.00 62.53 O ATOM 1194 CB CYS A 76 6.772 -5.555 8.120 1.00 74.54 C ATOM 1195 SG CYS A 76 7.809 -4.691 9.326 1.00 52.21 S ATOM 0 H CYS A 76 6.629 -6.889 10.180 1.00 14.43 H new ATOM 0 HA CYS A 76 4.802 -5.190 8.948 1.00 22.42 H new ATOM 0 HB2 CYS A 76 7.323 -6.413 7.734 1.00 74.54 H new ATOM 0 HB3 CYS A 76 6.585 -4.890 7.277 1.00 74.54 H new ATOM 0 HG CYS A 76 7.986 -3.461 8.944 1.00 52.21 H new ATOM 1201 N LEU A 77 5.218 -8.030 7.284 1.00 71.51 N ATOM 1202 CA LEU A 77 4.628 -8.913 6.271 1.00 23.24 C ATOM 1203 C LEU A 77 3.158 -9.234 6.583 1.00 15.14 C ATOM 1204 O LEU A 77 2.333 -9.318 5.676 1.00 23.43 O ATOM 1205 CB LEU A 77 5.441 -10.214 6.161 1.00 42.40 C ATOM 1206 CG LEU A 77 6.894 -10.042 5.682 1.00 10.22 C ATOM 1207 CD1 LEU A 77 7.642 -11.373 5.735 1.00 62.31 C ATOM 1208 CD2 LEU A 77 6.931 -9.458 4.271 1.00 34.10 C ATOM 0 H LEU A 77 6.058 -8.405 7.724 1.00 71.51 H new ATOM 0 HA LEU A 77 4.658 -8.387 5.317 1.00 23.24 H new ATOM 0 HB2 LEU A 77 5.452 -10.700 7.137 1.00 42.40 H new ATOM 0 HB3 LEU A 77 4.927 -10.888 5.475 1.00 42.40 H new ATOM 0 HG LEU A 77 7.394 -9.344 6.354 1.00 10.22 H new ATOM 0 HD11 LEU A 77 8.667 -11.228 5.392 1.00 62.31 H new ATOM 0 HD12 LEU A 77 7.651 -11.745 6.760 1.00 62.31 H new ATOM 0 HD13 LEU A 77 7.143 -12.097 5.091 1.00 62.31 H new ATOM 0 HD21 LEU A 77 7.967 -9.344 3.951 1.00 34.10 H new ATOM 0 HD22 LEU A 77 6.411 -10.128 3.586 1.00 34.10 H new ATOM 0 HD23 LEU A 77 6.441 -8.484 4.267 1.00 34.10 H new ATOM 1220 N SER A 78 2.836 -9.399 7.870 1.00 12.14 N ATOM 1221 CA SER A 78 1.451 -9.665 8.293 1.00 5.34 C ATOM 1222 C SER A 78 0.524 -8.523 7.853 1.00 64.21 C ATOM 1223 O SER A 78 -0.527 -8.759 7.255 1.00 71.20 O ATOM 1224 CB SER A 78 1.368 -9.847 9.819 1.00 71.40 C ATOM 1225 OG SER A 78 0.065 -10.248 10.234 1.00 54.41 O ATOM 0 H SER A 78 3.509 -9.354 8.635 1.00 12.14 H new ATOM 0 HA SER A 78 1.127 -10.589 7.814 1.00 5.34 H new ATOM 0 HB2 SER A 78 2.096 -10.593 10.136 1.00 71.40 H new ATOM 0 HB3 SER A 78 1.635 -8.912 10.312 1.00 71.40 H new ATOM 0 HG SER A 78 -0.590 -9.989 9.552 1.00 54.41 H new ATOM 1231 N ASN A 79 0.942 -7.285 8.132 1.00 30.41 N ATOM 1232 CA ASN A 79 0.195 -6.092 7.706 1.00 21.42 C ATOM 1233 C ASN A 79 -0.066 -6.111 6.189 1.00 25.21 C ATOM 1234 O ASN A 79 -1.150 -5.748 5.720 1.00 75.12 O ATOM 1235 CB ASN A 79 0.971 -4.815 8.074 1.00 50.43 C ATOM 1236 CG ASN A 79 1.280 -4.709 9.560 1.00 64.14 C ATOM 1237 OD1 ASN A 79 0.545 -5.211 10.399 1.00 21.20 O ATOM 1238 ND2 ASN A 79 2.373 -4.050 9.900 1.00 24.13 N ATOM 0 H ASN A 79 1.795 -7.080 8.652 1.00 30.41 H new ATOM 0 HA ASN A 79 -0.763 -6.099 8.225 1.00 21.42 H new ATOM 0 HB2 ASN A 79 1.905 -4.791 7.513 1.00 50.43 H new ATOM 0 HB3 ASN A 79 0.392 -3.944 7.767 1.00 50.43 H new ATOM 0 HD21 ASN A 79 2.623 -3.949 10.884 1.00 24.13 H new ATOM 0 HD22 ASN A 79 2.967 -3.642 9.179 1.00 24.13 H new ATOM 1245 N ILE A 80 0.941 -6.541 5.429 1.00 42.23 N ATOM 1246 CA ILE A 80 0.828 -6.641 3.971 1.00 65.43 C ATOM 1247 C ILE A 80 -0.184 -7.728 3.558 1.00 3.44 C ATOM 1248 O ILE A 80 -1.012 -7.504 2.675 1.00 71.43 O ATOM 1249 CB ILE A 80 2.199 -6.943 3.310 1.00 3.33 C ATOM 1250 CG1 ILE A 80 3.247 -5.893 3.727 1.00 61.05 C ATOM 1251 CG2 ILE A 80 2.062 -6.986 1.787 1.00 62.02 C ATOM 1252 CD1 ILE A 80 4.628 -6.134 3.147 1.00 4.21 C ATOM 0 H ILE A 80 1.848 -6.827 5.799 1.00 42.23 H new ATOM 0 HA ILE A 80 0.473 -5.672 3.620 1.00 65.43 H new ATOM 0 HB ILE A 80 2.537 -7.920 3.655 1.00 3.33 H new ATOM 0 HG12 ILE A 80 2.901 -4.907 3.417 1.00 61.05 H new ATOM 0 HG13 ILE A 80 3.319 -5.878 4.815 1.00 61.05 H new ATOM 0 HG21 ILE A 80 3.033 -7.199 1.340 1.00 62.02 H new ATOM 0 HG22 ILE A 80 1.355 -7.767 1.507 1.00 62.02 H new ATOM 0 HG23 ILE A 80 1.700 -6.023 1.427 1.00 62.02 H new ATOM 0 HD11 ILE A 80 5.307 -5.352 3.488 1.00 4.21 H new ATOM 0 HD12 ILE A 80 4.997 -7.105 3.478 1.00 4.21 H new ATOM 0 HD13 ILE A 80 4.573 -6.118 2.058 1.00 4.21 H new ATOM 1264 N ARG A 81 -0.123 -8.897 4.207 1.00 2.25 N ATOM 1265 CA ARG A 81 -1.046 -10.004 3.891 1.00 10.04 C ATOM 1266 C ARG A 81 -2.507 -9.548 4.007 1.00 71.30 C ATOM 1267 O ARG A 81 -3.289 -9.684 3.070 1.00 42.54 O ATOM 1268 CB ARG A 81 -0.859 -11.192 4.840 1.00 71.23 C ATOM 1269 CG ARG A 81 0.571 -11.679 5.021 1.00 45.22 C ATOM 1270 CD ARG A 81 0.628 -12.870 5.977 1.00 21.13 C ATOM 1271 NE ARG A 81 -0.206 -12.665 7.170 1.00 15.43 N ATOM 1272 CZ ARG A 81 -0.003 -13.238 8.321 1.00 30.14 C ATOM 1273 NH1 ARG A 81 1.025 -14.003 8.512 1.00 35.33 N ATOM 1274 NH2 ARG A 81 -0.833 -13.034 9.289 1.00 11.45 N ATOM 0 H ARG A 81 0.547 -9.104 4.948 1.00 2.25 H new ATOM 0 HA ARG A 81 -0.817 -10.309 2.870 1.00 10.04 H new ATOM 0 HB2 ARG A 81 -1.255 -10.917 5.818 1.00 71.23 H new ATOM 0 HB3 ARG A 81 -1.462 -12.023 4.474 1.00 71.23 H new ATOM 0 HG2 ARG A 81 0.987 -11.964 4.055 1.00 45.22 H new ATOM 0 HG3 ARG A 81 1.189 -10.868 5.407 1.00 45.22 H new ATOM 0 HD2 ARG A 81 0.298 -13.768 5.455 1.00 21.13 H new ATOM 0 HD3 ARG A 81 1.661 -13.039 6.282 1.00 21.13 H new ATOM 0 HE ARG A 81 -1.000 -12.029 7.090 1.00 15.43 H new ATOM 0 HH11 ARG A 81 1.689 -14.163 7.755 1.00 35.33 H new ATOM 0 HH12 ARG A 81 1.170 -14.445 9.420 1.00 35.33 H new ATOM 0 HH21 ARG A 81 -1.641 -12.427 9.149 1.00 11.45 H new ATOM 0 HH22 ARG A 81 -0.681 -13.480 10.194 1.00 11.45 H new ATOM 1288 N GLU A 82 -2.861 -9.025 5.181 1.00 74.34 N ATOM 1289 CA GLU A 82 -4.225 -8.556 5.453 1.00 75.20 C ATOM 1290 C GLU A 82 -4.696 -7.524 4.413 1.00 4.20 C ATOM 1291 O GLU A 82 -5.865 -7.514 4.025 1.00 35.35 O ATOM 1292 CB GLU A 82 -4.317 -7.974 6.877 1.00 63.24 C ATOM 1293 CG GLU A 82 -4.471 -9.024 7.984 1.00 11.23 C ATOM 1294 CD GLU A 82 -3.270 -9.955 8.137 1.00 44.42 C ATOM 1295 OE1 GLU A 82 -3.119 -10.892 7.322 1.00 51.11 O ATOM 1296 OE2 GLU A 82 -2.491 -9.775 9.095 1.00 62.31 O ATOM 0 H GLU A 82 -2.219 -8.914 5.966 1.00 74.34 H new ATOM 0 HA GLU A 82 -4.890 -9.416 5.379 1.00 75.20 H new ATOM 0 HB2 GLU A 82 -3.421 -7.385 7.074 1.00 63.24 H new ATOM 0 HB3 GLU A 82 -5.164 -7.290 6.922 1.00 63.24 H new ATOM 0 HG2 GLU A 82 -4.644 -8.514 8.932 1.00 11.23 H new ATOM 0 HG3 GLU A 82 -5.358 -9.624 7.779 1.00 11.23 H new ATOM 1303 N PHE A 83 -3.783 -6.661 3.966 1.00 1.54 N ATOM 1304 CA PHE A 83 -4.082 -5.703 2.890 1.00 74.12 C ATOM 1305 C PHE A 83 -4.435 -6.438 1.584 1.00 51.20 C ATOM 1306 O PHE A 83 -5.439 -6.131 0.930 1.00 0.55 O ATOM 1307 CB PHE A 83 -2.882 -4.768 2.664 1.00 32.24 C ATOM 1308 CG PHE A 83 -3.035 -3.844 1.480 1.00 65.24 C ATOM 1309 CD1 PHE A 83 -3.884 -2.748 1.540 1.00 14.03 C ATOM 1310 CD2 PHE A 83 -2.327 -4.072 0.305 1.00 11.14 C ATOM 1311 CE1 PHE A 83 -4.023 -1.899 0.459 1.00 53.20 C ATOM 1312 CE2 PHE A 83 -2.464 -3.225 -0.778 1.00 51.44 C ATOM 1313 CZ PHE A 83 -3.311 -2.138 -0.701 1.00 4.20 C ATOM 0 H PHE A 83 -2.831 -6.602 4.328 1.00 1.54 H new ATOM 0 HA PHE A 83 -4.944 -5.108 3.192 1.00 74.12 H new ATOM 0 HB2 PHE A 83 -2.728 -4.169 3.561 1.00 32.24 H new ATOM 0 HB3 PHE A 83 -1.985 -5.372 2.526 1.00 32.24 H new ATOM 0 HD1 PHE A 83 -4.443 -2.556 2.444 1.00 14.03 H new ATOM 0 HD2 PHE A 83 -1.663 -4.921 0.238 1.00 11.14 H new ATOM 0 HE1 PHE A 83 -4.687 -1.050 0.520 1.00 53.20 H new ATOM 0 HE2 PHE A 83 -1.908 -3.414 -1.685 1.00 51.44 H new ATOM 0 HZ PHE A 83 -3.417 -1.475 -1.547 1.00 4.20 H new ATOM 1323 N LEU A 84 -3.604 -7.412 1.218 1.00 31.31 N ATOM 1324 CA LEU A 84 -3.833 -8.236 0.024 1.00 52.31 C ATOM 1325 C LEU A 84 -5.156 -9.012 0.132 1.00 74.02 C ATOM 1326 O LEU A 84 -5.920 -9.101 -0.830 1.00 0.01 O ATOM 1327 CB LEU A 84 -2.664 -9.212 -0.164 1.00 72.01 C ATOM 1328 CG LEU A 84 -1.281 -8.556 -0.299 1.00 15.10 C ATOM 1329 CD1 LEU A 84 -0.178 -9.611 -0.318 1.00 5.22 C ATOM 1330 CD2 LEU A 84 -1.226 -7.684 -1.551 1.00 73.40 C ATOM 0 H LEU A 84 -2.758 -7.654 1.734 1.00 31.31 H new ATOM 0 HA LEU A 84 -3.898 -7.576 -0.841 1.00 52.31 H new ATOM 0 HB2 LEU A 84 -2.643 -9.897 0.684 1.00 72.01 H new ATOM 0 HB3 LEU A 84 -2.852 -9.813 -1.054 1.00 72.01 H new ATOM 0 HG LEU A 84 -1.116 -7.918 0.569 1.00 15.10 H new ATOM 0 HD11 LEU A 84 0.791 -9.122 -0.414 1.00 5.22 H new ATOM 0 HD12 LEU A 84 -0.205 -10.183 0.610 1.00 5.22 H new ATOM 0 HD13 LEU A 84 -0.331 -10.282 -1.163 1.00 5.22 H new ATOM 0 HD21 LEU A 84 -0.240 -7.226 -1.633 1.00 73.40 H new ATOM 0 HD22 LEU A 84 -1.415 -8.299 -2.431 1.00 73.40 H new ATOM 0 HD23 LEU A 84 -1.984 -6.904 -1.484 1.00 73.40 H new ATOM 1342 N ARG A 85 -5.413 -9.562 1.316 1.00 50.34 N ATOM 1343 CA ARG A 85 -6.645 -10.303 1.588 1.00 63.44 C ATOM 1344 C ARG A 85 -7.879 -9.399 1.434 1.00 40.15 C ATOM 1345 O ARG A 85 -8.854 -9.774 0.788 1.00 24.11 O ATOM 1346 CB ARG A 85 -6.596 -10.901 3.007 1.00 40.32 C ATOM 1347 CG ARG A 85 -7.842 -11.693 3.401 1.00 42.32 C ATOM 1348 CD ARG A 85 -7.721 -12.278 4.808 1.00 12.32 C ATOM 1349 NE ARG A 85 -6.645 -13.265 4.901 1.00 73.54 N ATOM 1350 CZ ARG A 85 -5.555 -13.112 5.607 1.00 11.32 C ATOM 1351 NH1 ARG A 85 -5.361 -12.033 6.298 1.00 21.34 N ATOM 1352 NH2 ARG A 85 -4.664 -14.045 5.621 1.00 32.43 N ATOM 0 H ARG A 85 -4.777 -9.508 2.112 1.00 50.34 H new ATOM 0 HA ARG A 85 -6.726 -11.111 0.861 1.00 63.44 H new ATOM 0 HB2 ARG A 85 -5.726 -11.554 3.083 1.00 40.32 H new ATOM 0 HB3 ARG A 85 -6.452 -10.093 3.724 1.00 40.32 H new ATOM 0 HG2 ARG A 85 -8.716 -11.044 3.351 1.00 42.32 H new ATOM 0 HG3 ARG A 85 -8.002 -12.499 2.685 1.00 42.32 H new ATOM 0 HD2 ARG A 85 -7.538 -11.474 5.520 1.00 12.32 H new ATOM 0 HD3 ARG A 85 -8.665 -12.744 5.089 1.00 12.32 H new ATOM 0 HE ARG A 85 -6.753 -14.134 4.378 1.00 73.54 H new ATOM 0 HH11 ARG A 85 -6.062 -11.292 6.295 1.00 21.34 H new ATOM 0 HH12 ARG A 85 -4.507 -11.924 6.845 1.00 21.34 H new ATOM 0 HH21 ARG A 85 -4.811 -14.899 5.082 1.00 32.43 H new ATOM 0 HH22 ARG A 85 -3.813 -13.929 6.171 1.00 32.43 H new ATOM 1366 N GLY A 86 -7.820 -8.202 2.018 1.00 11.43 N ATOM 1367 CA GLY A 86 -8.934 -7.262 1.926 1.00 63.30 C ATOM 1368 C GLY A 86 -9.262 -6.864 0.489 1.00 32.43 C ATOM 1369 O GLY A 86 -10.392 -7.047 0.024 1.00 42.10 O ATOM 0 H GLY A 86 -7.021 -7.864 2.554 1.00 11.43 H new ATOM 0 HA2 GLY A 86 -9.817 -7.708 2.384 1.00 63.30 H new ATOM 0 HA3 GLY A 86 -8.695 -6.367 2.500 1.00 63.30 H new ATOM 1373 N CYS A 87 -8.271 -6.325 -0.217 1.00 43.11 N ATOM 1374 CA CYS A 87 -8.444 -5.933 -1.623 1.00 51.21 C ATOM 1375 C CYS A 87 -8.806 -7.141 -2.502 1.00 1.23 C ATOM 1376 O CYS A 87 -9.628 -7.037 -3.415 1.00 34.51 O ATOM 1377 CB CYS A 87 -7.166 -5.274 -2.157 1.00 55.11 C ATOM 1378 SG CYS A 87 -6.683 -3.774 -1.274 1.00 62.23 S ATOM 0 H CYS A 87 -7.339 -6.148 0.157 1.00 43.11 H new ATOM 0 HA CYS A 87 -9.265 -5.218 -1.665 1.00 51.21 H new ATOM 0 HB2 CYS A 87 -6.349 -5.994 -2.102 1.00 55.11 H new ATOM 0 HB3 CYS A 87 -7.308 -5.033 -3.210 1.00 55.11 H new ATOM 0 HG CYS A 87 -5.397 -3.610 -1.369 1.00 62.23 H new ATOM 1384 N GLY A 88 -8.188 -8.285 -2.212 1.00 53.33 N ATOM 1385 CA GLY A 88 -8.432 -9.504 -2.977 1.00 53.32 C ATOM 1386 C GLY A 88 -9.772 -10.175 -2.662 1.00 43.01 C ATOM 1387 O GLY A 88 -10.283 -10.952 -3.467 1.00 3.32 O ATOM 0 H GLY A 88 -7.515 -8.392 -1.453 1.00 53.33 H new ATOM 0 HA2 GLY A 88 -8.396 -9.267 -4.040 1.00 53.32 H new ATOM 0 HA3 GLY A 88 -7.627 -10.212 -2.781 1.00 53.32 H new ATOM 1391 N ALA A 89 -10.336 -9.892 -1.485 1.00 11.42 N ATOM 1392 CA ALA A 89 -11.632 -10.461 -1.091 1.00 4.23 C ATOM 1393 C ALA A 89 -12.807 -9.577 -1.540 1.00 61.23 C ATOM 1394 O ALA A 89 -13.786 -10.070 -2.099 1.00 14.43 O ATOM 1395 CB ALA A 89 -11.684 -10.677 0.419 1.00 11.02 C ATOM 0 H ALA A 89 -9.919 -9.274 -0.789 1.00 11.42 H new ATOM 0 HA ALA A 89 -11.730 -11.423 -1.594 1.00 4.23 H new ATOM 0 HB1 ALA A 89 -12.651 -11.099 0.693 1.00 11.02 H new ATOM 0 HB2 ALA A 89 -10.891 -11.364 0.716 1.00 11.02 H new ATOM 0 HB3 ALA A 89 -11.547 -9.723 0.928 1.00 11.02 H new ATOM 1401 N SER A 90 -12.711 -8.270 -1.289 1.00 21.55 N ATOM 1402 CA SER A 90 -13.791 -7.331 -1.647 1.00 11.55 C ATOM 1403 C SER A 90 -13.697 -6.869 -3.112 1.00 42.11 C ATOM 1404 O SER A 90 -14.557 -7.186 -3.932 1.00 5.35 O ATOM 1405 CB SER A 90 -13.767 -6.102 -0.720 1.00 14.32 C ATOM 1406 OG SER A 90 -14.779 -5.168 -1.068 1.00 61.34 O ATOM 0 H SER A 90 -11.904 -7.834 -0.842 1.00 21.55 H new ATOM 0 HA SER A 90 -14.731 -7.868 -1.522 1.00 11.55 H new ATOM 0 HB2 SER A 90 -13.905 -6.421 0.313 1.00 14.32 H new ATOM 0 HB3 SER A 90 -12.791 -5.621 -0.777 1.00 14.32 H new ATOM 0 HG SER A 90 -14.739 -4.400 -0.460 1.00 61.34 H new ATOM 1412 N LEU A 91 -12.631 -6.138 -3.440 1.00 42.33 N ATOM 1413 CA LEU A 91 -12.470 -5.536 -4.774 1.00 22.33 C ATOM 1414 C LEU A 91 -11.973 -6.545 -5.822 1.00 73.24 C ATOM 1415 O LEU A 91 -12.119 -6.323 -7.025 1.00 22.32 O ATOM 1416 CB LEU A 91 -11.499 -4.350 -4.682 1.00 52.30 C ATOM 1417 CG LEU A 91 -12.033 -3.134 -3.908 1.00 10.20 C ATOM 1418 CD1 LEU A 91 -10.906 -2.163 -3.574 1.00 23.14 C ATOM 1419 CD2 LEU A 91 -13.124 -2.430 -4.709 1.00 2.25 C ATOM 0 H LEU A 91 -11.860 -5.945 -2.800 1.00 42.33 H new ATOM 0 HA LEU A 91 -13.452 -5.196 -5.104 1.00 22.33 H new ATOM 0 HB2 LEU A 91 -10.579 -4.689 -4.207 1.00 52.30 H new ATOM 0 HB3 LEU A 91 -11.238 -4.034 -5.692 1.00 52.30 H new ATOM 0 HG LEU A 91 -12.463 -3.489 -2.971 1.00 10.20 H new ATOM 0 HD11 LEU A 91 -11.310 -1.311 -3.027 1.00 23.14 H new ATOM 0 HD12 LEU A 91 -10.160 -2.668 -2.960 1.00 23.14 H new ATOM 0 HD13 LEU A 91 -10.441 -1.814 -4.496 1.00 23.14 H new ATOM 0 HD21 LEU A 91 -13.491 -1.571 -4.147 1.00 2.25 H new ATOM 0 HD22 LEU A 91 -12.716 -2.092 -5.662 1.00 2.25 H new ATOM 0 HD23 LEU A 91 -13.946 -3.123 -4.892 1.00 2.25 H new ATOM 1431 N ARG A 92 -11.371 -7.643 -5.357 1.00 22.44 N ATOM 1432 CA ARG A 92 -10.865 -8.715 -6.239 1.00 14.24 C ATOM 1433 C ARG A 92 -9.808 -8.184 -7.228 1.00 53.30 C ATOM 1434 O ARG A 92 -9.502 -8.828 -8.231 1.00 14.14 O ATOM 1435 CB ARG A 92 -12.021 -9.368 -7.029 1.00 64.42 C ATOM 1436 CG ARG A 92 -13.309 -9.574 -6.235 1.00 31.14 C ATOM 1437 CD ARG A 92 -13.097 -10.404 -4.976 1.00 30.01 C ATOM 1438 NE ARG A 92 -12.634 -11.758 -5.264 1.00 31.52 N ATOM 1439 CZ ARG A 92 -12.734 -12.754 -4.429 1.00 65.32 C ATOM 1440 NH1 ARG A 92 -13.300 -12.594 -3.269 1.00 22.31 N ATOM 1441 NH2 ARG A 92 -12.272 -13.913 -4.760 1.00 70.31 N ATOM 0 H ARG A 92 -11.218 -7.820 -4.364 1.00 22.44 H new ATOM 0 HA ARG A 92 -10.397 -9.462 -5.598 1.00 14.24 H new ATOM 0 HB2 ARG A 92 -12.243 -8.749 -7.898 1.00 64.42 H new ATOM 0 HB3 ARG A 92 -11.684 -10.335 -7.404 1.00 64.42 H new ATOM 0 HG2 ARG A 92 -13.721 -8.603 -5.960 1.00 31.14 H new ATOM 0 HG3 ARG A 92 -14.047 -10.065 -6.869 1.00 31.14 H new ATOM 0 HD2 ARG A 92 -12.370 -9.905 -4.335 1.00 30.01 H new ATOM 0 HD3 ARG A 92 -14.032 -10.455 -4.418 1.00 30.01 H new ATOM 0 HE ARG A 92 -12.207 -11.935 -6.173 1.00 31.52 H new ATOM 0 HH11 ARG A 92 -13.671 -11.682 -3.004 1.00 22.31 H new ATOM 0 HH12 ARG A 92 -13.372 -13.381 -2.624 1.00 22.31 H new ATOM 0 HH21 ARG A 92 -11.832 -14.045 -5.670 1.00 70.31 H new ATOM 0 HH22 ARG A 92 -12.347 -14.696 -4.111 1.00 70.31 H new ATOM 1455 N LEU A 93 -9.241 -7.016 -6.930 1.00 62.52 N ATOM 1456 CA LEU A 93 -8.332 -6.331 -7.857 1.00 43.21 C ATOM 1457 C LEU A 93 -6.954 -7.009 -7.944 1.00 72.43 C ATOM 1458 O LEU A 93 -6.609 -7.856 -7.116 1.00 32.12 O ATOM 1459 CB LEU A 93 -8.193 -4.846 -7.459 1.00 71.32 C ATOM 1460 CG LEU A 93 -7.721 -4.555 -6.016 1.00 11.51 C ATOM 1461 CD1 LEU A 93 -6.209 -4.718 -5.876 1.00 65.11 C ATOM 1462 CD2 LEU A 93 -8.142 -3.153 -5.586 1.00 62.04 C ATOM 0 H LEU A 93 -9.394 -6.520 -6.052 1.00 62.52 H new ATOM 0 HA LEU A 93 -8.770 -6.396 -8.853 1.00 43.21 H new ATOM 0 HB2 LEU A 93 -7.493 -4.373 -8.148 1.00 71.32 H new ATOM 0 HB3 LEU A 93 -9.159 -4.363 -7.605 1.00 71.32 H new ATOM 0 HG LEU A 93 -8.199 -5.284 -5.362 1.00 11.51 H new ATOM 0 HD11 LEU A 93 -5.914 -4.505 -4.849 1.00 65.11 H new ATOM 0 HD12 LEU A 93 -5.928 -5.740 -6.130 1.00 65.11 H new ATOM 0 HD13 LEU A 93 -5.704 -4.025 -6.549 1.00 65.11 H new ATOM 0 HD21 LEU A 93 -7.801 -2.967 -4.568 1.00 62.04 H new ATOM 0 HD22 LEU A 93 -7.698 -2.418 -6.257 1.00 62.04 H new ATOM 0 HD23 LEU A 93 -9.228 -3.071 -5.625 1.00 62.04 H new ATOM 1474 N GLU A 94 -6.178 -6.623 -8.959 1.00 64.34 N ATOM 1475 CA GLU A 94 -4.817 -7.141 -9.155 1.00 4.13 C ATOM 1476 C GLU A 94 -3.948 -6.913 -7.907 1.00 42.32 C ATOM 1477 O GLU A 94 -3.607 -5.779 -7.574 1.00 42.03 O ATOM 1478 CB GLU A 94 -4.168 -6.469 -10.380 1.00 62.50 C ATOM 1479 CG GLU A 94 -4.912 -6.705 -11.696 1.00 22.23 C ATOM 1480 CD GLU A 94 -4.911 -8.164 -12.130 1.00 62.02 C ATOM 1481 OE1 GLU A 94 -5.805 -8.925 -11.687 1.00 4.54 O ATOM 1482 OE2 GLU A 94 -4.018 -8.557 -12.914 1.00 30.23 O ATOM 0 H GLU A 94 -6.470 -5.947 -9.665 1.00 64.34 H new ATOM 0 HA GLU A 94 -4.886 -8.215 -9.327 1.00 4.13 H new ATOM 0 HB2 GLU A 94 -4.104 -5.396 -10.200 1.00 62.50 H new ATOM 0 HB3 GLU A 94 -3.147 -6.836 -10.483 1.00 62.50 H new ATOM 0 HG2 GLU A 94 -5.942 -6.365 -11.590 1.00 22.23 H new ATOM 0 HG3 GLU A 94 -4.455 -6.099 -12.478 1.00 22.23 H new ATOM 1489 N THR A 95 -3.612 -7.992 -7.211 1.00 12.11 N ATOM 1490 CA THR A 95 -2.807 -7.902 -5.985 1.00 23.12 C ATOM 1491 C THR A 95 -1.367 -8.387 -6.204 1.00 52.41 C ATOM 1492 O THR A 95 -1.015 -8.886 -7.276 1.00 12.23 O ATOM 1493 CB THR A 95 -3.437 -8.719 -4.830 1.00 60.15 C ATOM 1494 OG1 THR A 95 -3.607 -10.087 -5.228 1.00 42.31 O ATOM 1495 CG2 THR A 95 -4.784 -8.134 -4.406 1.00 3.23 C ATOM 0 H THR A 95 -3.881 -8.942 -7.469 1.00 12.11 H new ATOM 0 HA THR A 95 -2.788 -6.846 -5.715 1.00 23.12 H new ATOM 0 HB THR A 95 -2.759 -8.670 -3.978 1.00 60.15 H new ATOM 0 HG1 THR A 95 -4.004 -10.595 -4.490 1.00 42.31 H new ATOM 0 HG21 THR A 95 -5.200 -8.730 -3.594 1.00 3.23 H new ATOM 0 HG22 THR A 95 -4.645 -7.107 -4.068 1.00 3.23 H new ATOM 0 HG23 THR A 95 -5.469 -8.147 -5.253 1.00 3.23 H new ATOM 1503 N PHE A 96 -0.543 -8.230 -5.173 1.00 61.41 N ATOM 1504 CA PHE A 96 0.868 -8.641 -5.205 1.00 33.03 C ATOM 1505 C PHE A 96 1.185 -9.587 -4.036 1.00 21.23 C ATOM 1506 O PHE A 96 0.292 -9.966 -3.279 1.00 13.12 O ATOM 1507 CB PHE A 96 1.783 -7.405 -5.167 1.00 11.41 C ATOM 1508 CG PHE A 96 1.547 -6.497 -3.982 1.00 12.52 C ATOM 1509 CD1 PHE A 96 0.610 -5.473 -4.051 1.00 63.13 C ATOM 1510 CD2 PHE A 96 2.262 -6.663 -2.804 1.00 42.13 C ATOM 1511 CE1 PHE A 96 0.392 -4.639 -2.971 1.00 2.53 C ATOM 1512 CE2 PHE A 96 2.046 -5.833 -1.723 1.00 13.14 C ATOM 1513 CZ PHE A 96 1.110 -4.819 -1.805 1.00 53.03 C ATOM 0 H PHE A 96 -0.830 -7.814 -4.287 1.00 61.41 H new ATOM 0 HA PHE A 96 1.051 -9.180 -6.135 1.00 33.03 H new ATOM 0 HB2 PHE A 96 2.822 -7.736 -5.156 1.00 11.41 H new ATOM 0 HB3 PHE A 96 1.640 -6.833 -6.084 1.00 11.41 H new ATOM 0 HD1 PHE A 96 0.045 -5.327 -4.960 1.00 63.13 H new ATOM 0 HD2 PHE A 96 2.997 -7.452 -2.733 1.00 42.13 H new ATOM 0 HE1 PHE A 96 -0.339 -3.847 -3.039 1.00 2.53 H new ATOM 0 HE2 PHE A 96 2.609 -5.976 -0.812 1.00 13.14 H new ATOM 0 HZ PHE A 96 0.941 -4.169 -0.959 1.00 53.03 H new ATOM 1523 N ASP A 97 2.442 -10.005 -3.913 1.00 41.54 N ATOM 1524 CA ASP A 97 2.866 -10.860 -2.796 1.00 45.21 C ATOM 1525 C ASP A 97 3.704 -10.060 -1.782 1.00 71.03 C ATOM 1526 O ASP A 97 4.464 -9.169 -2.150 1.00 62.30 O ATOM 1527 CB ASP A 97 3.661 -12.062 -3.321 1.00 41.32 C ATOM 1528 CG ASP A 97 2.846 -12.901 -4.290 1.00 63.21 C ATOM 1529 OD1 ASP A 97 2.795 -12.554 -5.492 1.00 1.32 O ATOM 1530 OD2 ASP A 97 2.248 -13.908 -3.851 1.00 14.45 O ATOM 0 H ASP A 97 3.187 -9.769 -4.569 1.00 41.54 H new ATOM 0 HA ASP A 97 1.975 -11.226 -2.285 1.00 45.21 H new ATOM 0 HB2 ASP A 97 4.565 -11.710 -3.817 1.00 41.32 H new ATOM 0 HB3 ASP A 97 3.978 -12.682 -2.482 1.00 41.32 H new ATOM 1535 N ALA A 98 3.568 -10.392 -0.499 1.00 2.34 N ATOM 1536 CA ALA A 98 4.257 -9.657 0.573 1.00 33.41 C ATOM 1537 C ALA A 98 5.780 -9.545 0.337 1.00 74.00 C ATOM 1538 O ALA A 98 6.417 -8.577 0.760 1.00 2.31 O ATOM 1539 CB ALA A 98 3.973 -10.318 1.919 1.00 52.01 C ATOM 0 H ALA A 98 2.988 -11.165 -0.172 1.00 2.34 H new ATOM 0 HA ALA A 98 3.865 -8.640 0.572 1.00 33.41 H new ATOM 0 HB1 ALA A 98 4.486 -9.769 2.709 1.00 52.01 H new ATOM 0 HB2 ALA A 98 2.900 -10.310 2.109 1.00 52.01 H new ATOM 0 HB3 ALA A 98 4.330 -11.348 1.901 1.00 52.01 H new ATOM 1545 N ASN A 99 6.353 -10.529 -0.354 1.00 71.32 N ATOM 1546 CA ASN A 99 7.806 -10.581 -0.575 1.00 74.50 C ATOM 1547 C ASN A 99 8.291 -9.556 -1.616 1.00 45.44 C ATOM 1548 O ASN A 99 9.255 -8.831 -1.365 1.00 4.30 O ATOM 1549 CB ASN A 99 8.228 -11.990 -0.998 1.00 42.02 C ATOM 1550 CG ASN A 99 7.819 -13.033 0.021 1.00 73.42 C ATOM 1551 OD1 ASN A 99 6.744 -13.614 -0.070 1.00 35.13 O ATOM 1552 ND2 ASN A 99 8.662 -13.277 1.003 1.00 34.41 N ATOM 0 H ASN A 99 5.837 -11.303 -0.772 1.00 71.32 H new ATOM 0 HA ASN A 99 8.276 -10.322 0.374 1.00 74.50 H new ATOM 0 HB2 ASN A 99 7.779 -12.229 -1.962 1.00 42.02 H new ATOM 0 HB3 ASN A 99 9.309 -12.020 -1.134 1.00 42.02 H new ATOM 0 HD21 ASN A 99 8.428 -13.967 1.717 1.00 34.41 H new ATOM 0 HD22 ASN A 99 9.549 -12.776 1.050 1.00 34.41 H new ATOM 1559 N ASP A 100 7.630 -9.484 -2.775 1.00 35.23 N ATOM 1560 CA ASP A 100 8.090 -8.593 -3.852 1.00 4.04 C ATOM 1561 C ASP A 100 8.097 -7.121 -3.410 1.00 43.42 C ATOM 1562 O ASP A 100 8.990 -6.362 -3.785 1.00 53.25 O ATOM 1563 CB ASP A 100 7.263 -8.782 -5.133 1.00 13.02 C ATOM 1564 CG ASP A 100 5.768 -8.784 -4.891 1.00 3.44 C ATOM 1565 OD1 ASP A 100 5.192 -7.704 -4.681 1.00 40.43 O ATOM 1566 OD2 ASP A 100 5.167 -9.876 -4.930 1.00 41.22 O ATOM 0 H ASP A 100 6.790 -10.020 -2.993 1.00 35.23 H new ATOM 0 HA ASP A 100 9.119 -8.872 -4.078 1.00 4.04 H new ATOM 0 HB2 ASP A 100 7.508 -7.986 -5.835 1.00 13.02 H new ATOM 0 HB3 ASP A 100 7.548 -9.722 -5.605 1.00 13.02 H new ATOM 1571 N LEU A 101 7.114 -6.727 -2.608 1.00 33.12 N ATOM 1572 CA LEU A 101 7.086 -5.377 -2.038 1.00 73.14 C ATOM 1573 C LEU A 101 8.165 -5.195 -0.955 1.00 1.24 C ATOM 1574 O LEU A 101 8.952 -4.250 -1.005 1.00 60.45 O ATOM 1575 CB LEU A 101 5.705 -5.067 -1.443 1.00 55.33 C ATOM 1576 CG LEU A 101 5.601 -3.721 -0.699 1.00 12.45 C ATOM 1577 CD1 LEU A 101 5.917 -2.555 -1.632 1.00 61.35 C ATOM 1578 CD2 LEU A 101 4.222 -3.557 -0.073 1.00 24.42 C ATOM 0 H LEU A 101 6.328 -7.317 -2.336 1.00 33.12 H new ATOM 0 HA LEU A 101 7.294 -4.681 -2.851 1.00 73.14 H new ATOM 0 HB2 LEU A 101 4.969 -5.078 -2.247 1.00 55.33 H new ATOM 0 HB3 LEU A 101 5.436 -5.867 -0.754 1.00 55.33 H new ATOM 0 HG LEU A 101 6.341 -3.719 0.102 1.00 12.45 H new ATOM 0 HD11 LEU A 101 5.836 -1.617 -1.082 1.00 61.35 H new ATOM 0 HD12 LEU A 101 6.930 -2.663 -2.019 1.00 61.35 H new ATOM 0 HD13 LEU A 101 5.210 -2.551 -2.462 1.00 61.35 H new ATOM 0 HD21 LEU A 101 4.170 -2.601 0.447 1.00 24.42 H new ATOM 0 HD22 LEU A 101 3.462 -3.587 -0.854 1.00 24.42 H new ATOM 0 HD23 LEU A 101 4.046 -4.366 0.636 1.00 24.42 H new ATOM 1590 N TYR A 102 8.202 -6.109 0.014 1.00 52.11 N ATOM 1591 CA TYR A 102 9.114 -5.988 1.161 1.00 13.14 C ATOM 1592 C TYR A 102 10.593 -6.028 0.736 1.00 65.13 C ATOM 1593 O TYR A 102 11.439 -5.363 1.337 1.00 75.52 O ATOM 1594 CB TYR A 102 8.832 -7.109 2.175 1.00 42.03 C ATOM 1595 CG TYR A 102 9.454 -6.875 3.542 1.00 4.22 C ATOM 1596 CD1 TYR A 102 8.778 -6.140 4.508 1.00 32.21 C ATOM 1597 CD2 TYR A 102 10.708 -7.385 3.867 1.00 10.01 C ATOM 1598 CE1 TYR A 102 9.331 -5.917 5.752 1.00 52.44 C ATOM 1599 CE2 TYR A 102 11.265 -7.166 5.113 1.00 24.12 C ATOM 1600 CZ TYR A 102 10.572 -6.431 6.050 1.00 70.41 C ATOM 1601 OH TYR A 102 11.126 -6.207 7.291 1.00 43.21 O ATOM 0 H TYR A 102 7.614 -6.942 0.032 1.00 52.11 H new ATOM 0 HA TYR A 102 8.932 -5.017 1.621 1.00 13.14 H new ATOM 0 HB2 TYR A 102 7.754 -7.217 2.291 1.00 42.03 H new ATOM 0 HB3 TYR A 102 9.205 -8.051 1.773 1.00 42.03 H new ATOM 0 HD1 TYR A 102 7.802 -5.736 4.281 1.00 32.21 H new ATOM 0 HD2 TYR A 102 11.254 -7.961 3.134 1.00 10.01 H new ATOM 0 HE1 TYR A 102 8.792 -5.341 6.489 1.00 52.44 H new ATOM 0 HE2 TYR A 102 12.238 -7.569 5.351 1.00 24.12 H new ATOM 0 HH TYR A 102 10.412 -6.120 7.957 1.00 43.21 H new ATOM 1611 N GLN A 103 10.897 -6.819 -0.292 1.00 71.01 N ATOM 1612 CA GLN A 103 12.277 -6.976 -0.781 1.00 41.01 C ATOM 1613 C GLN A 103 12.541 -6.141 -2.051 1.00 30.23 C ATOM 1614 O GLN A 103 13.678 -6.053 -2.516 1.00 22.31 O ATOM 1615 CB GLN A 103 12.567 -8.460 -1.059 1.00 0.50 C ATOM 1616 CG GLN A 103 12.419 -9.363 0.164 1.00 72.02 C ATOM 1617 CD GLN A 103 13.432 -9.059 1.259 1.00 54.15 C ATOM 1618 OE1 GLN A 103 14.549 -8.623 0.993 1.00 70.21 O ATOM 1619 NE2 GLN A 103 13.060 -9.300 2.499 1.00 22.14 N ATOM 0 H GLN A 103 10.207 -7.365 -0.808 1.00 71.01 H new ATOM 0 HA GLN A 103 12.946 -6.608 -0.003 1.00 41.01 H new ATOM 0 HB2 GLN A 103 11.893 -8.811 -1.840 1.00 0.50 H new ATOM 0 HB3 GLN A 103 13.581 -8.555 -1.447 1.00 0.50 H new ATOM 0 HG2 GLN A 103 11.413 -9.254 0.568 1.00 72.02 H new ATOM 0 HG3 GLN A 103 12.528 -10.403 -0.145 1.00 72.02 H new ATOM 0 HE21 GLN A 103 12.126 -9.662 2.690 1.00 22.14 H new ATOM 0 HE22 GLN A 103 13.706 -9.125 3.269 1.00 22.14 H new ATOM 1628 N GLY A 104 11.491 -5.541 -2.612 1.00 61.10 N ATOM 1629 CA GLY A 104 11.643 -4.704 -3.804 1.00 13.45 C ATOM 1630 C GLY A 104 11.957 -5.491 -5.079 1.00 32.52 C ATOM 1631 O GLY A 104 12.790 -5.072 -5.886 1.00 35.31 O ATOM 0 H GLY A 104 10.535 -5.617 -2.265 1.00 61.10 H new ATOM 0 HA2 GLY A 104 10.725 -4.136 -3.956 1.00 13.45 H new ATOM 0 HA3 GLY A 104 12.440 -3.981 -3.629 1.00 13.45 H new ATOM 1635 N GLN A 105 11.282 -6.622 -5.274 1.00 24.43 N ATOM 1636 CA GLN A 105 11.498 -7.464 -6.459 1.00 2.43 C ATOM 1637 C GLN A 105 10.566 -7.064 -7.621 1.00 41.00 C ATOM 1638 O GLN A 105 10.978 -6.365 -8.551 1.00 5.10 O ATOM 1639 CB GLN A 105 11.292 -8.944 -6.104 1.00 63.41 C ATOM 1640 CG GLN A 105 12.210 -9.446 -4.992 1.00 24.11 C ATOM 1641 CD GLN A 105 11.961 -10.906 -4.647 1.00 10.14 C ATOM 1642 OE1 GLN A 105 11.144 -11.225 -3.789 1.00 23.43 O ATOM 1643 NE2 GLN A 105 12.650 -11.805 -5.320 1.00 42.14 N ATOM 0 H GLN A 105 10.579 -6.981 -4.628 1.00 24.43 H new ATOM 0 HA GLN A 105 12.526 -7.312 -6.789 1.00 2.43 H new ATOM 0 HB2 GLN A 105 10.256 -9.094 -5.802 1.00 63.41 H new ATOM 0 HB3 GLN A 105 11.455 -9.548 -6.997 1.00 63.41 H new ATOM 0 HG2 GLN A 105 13.249 -9.320 -5.298 1.00 24.11 H new ATOM 0 HG3 GLN A 105 12.064 -8.835 -4.101 1.00 24.11 H new ATOM 0 HE21 GLN A 105 13.322 -11.508 -6.027 1.00 42.14 H new ATOM 0 HE22 GLN A 105 12.511 -12.798 -5.134 1.00 42.14 H new ATOM 1652 N ASN A 106 9.305 -7.504 -7.565 1.00 31.13 N ATOM 1653 CA ASN A 106 8.326 -7.203 -8.621 1.00 73.32 C ATOM 1654 C ASN A 106 7.432 -6.016 -8.228 1.00 52.33 C ATOM 1655 O ASN A 106 6.252 -6.186 -7.908 1.00 75.22 O ATOM 1656 CB ASN A 106 7.456 -8.432 -8.924 1.00 55.14 C ATOM 1657 CG ASN A 106 8.279 -9.667 -9.236 1.00 44.14 C ATOM 1658 OD1 ASN A 106 8.802 -9.821 -10.334 1.00 53.42 O ATOM 1659 ND2 ASN A 106 8.372 -10.574 -8.284 1.00 21.34 N ATOM 0 H ASN A 106 8.936 -8.070 -6.801 1.00 31.13 H new ATOM 0 HA ASN A 106 8.884 -6.934 -9.518 1.00 73.32 H new ATOM 0 HB2 ASN A 106 6.812 -8.636 -8.069 1.00 55.14 H new ATOM 0 HB3 ASN A 106 6.804 -8.211 -9.769 1.00 55.14 H new ATOM 0 HD21 ASN A 106 8.891 -11.436 -8.450 1.00 21.34 H new ATOM 0 HD22 ASN A 106 7.925 -10.414 -7.382 1.00 21.34 H new ATOM 1666 N PHE A 107 8.000 -4.813 -8.247 1.00 44.05 N ATOM 1667 CA PHE A 107 7.259 -3.606 -7.865 1.00 61.21 C ATOM 1668 C PHE A 107 6.128 -3.289 -8.861 1.00 43.43 C ATOM 1669 O PHE A 107 5.150 -2.627 -8.509 1.00 65.32 O ATOM 1670 CB PHE A 107 8.208 -2.404 -7.744 1.00 71.13 C ATOM 1671 CG PHE A 107 7.529 -1.150 -7.246 1.00 32.15 C ATOM 1672 CD1 PHE A 107 7.205 -1.009 -5.903 1.00 50.20 C ATOM 1673 CD2 PHE A 107 7.200 -0.119 -8.119 1.00 5.42 C ATOM 1674 CE1 PHE A 107 6.574 0.130 -5.442 1.00 40.13 C ATOM 1675 CE2 PHE A 107 6.570 1.023 -7.661 1.00 74.42 C ATOM 1676 CZ PHE A 107 6.255 1.147 -6.321 1.00 55.53 C ATOM 0 H PHE A 107 8.968 -4.644 -8.521 1.00 44.05 H new ATOM 0 HA PHE A 107 6.804 -3.800 -6.894 1.00 61.21 H new ATOM 0 HB2 PHE A 107 9.022 -2.661 -7.067 1.00 71.13 H new ATOM 0 HB3 PHE A 107 8.655 -2.204 -8.718 1.00 71.13 H new ATOM 0 HD1 PHE A 107 7.450 -1.800 -5.210 1.00 50.20 H new ATOM 0 HD2 PHE A 107 7.440 -0.212 -9.168 1.00 5.42 H new ATOM 0 HE1 PHE A 107 6.330 0.226 -4.394 1.00 40.13 H new ATOM 0 HE2 PHE A 107 6.324 1.818 -8.350 1.00 74.42 H new ATOM 0 HZ PHE A 107 5.760 2.037 -5.962 1.00 55.53 H new ATOM 1686 N ASN A 108 6.262 -3.770 -10.096 1.00 71.41 N ATOM 1687 CA ASN A 108 5.252 -3.531 -11.134 1.00 54.20 C ATOM 1688 C ASN A 108 3.861 -4.024 -10.695 1.00 60.00 C ATOM 1689 O ASN A 108 2.845 -3.389 -10.996 1.00 51.03 O ATOM 1690 CB ASN A 108 5.664 -4.206 -12.451 1.00 43.41 C ATOM 1691 CG ASN A 108 5.734 -5.720 -12.344 1.00 15.51 C ATOM 1692 OD1 ASN A 108 6.022 -6.273 -11.287 1.00 50.40 O ATOM 1693 ND2 ASN A 108 5.471 -6.400 -13.440 1.00 45.52 N ATOM 0 H ASN A 108 7.058 -4.327 -10.405 1.00 71.41 H new ATOM 0 HA ASN A 108 5.190 -2.454 -11.292 1.00 54.20 H new ATOM 0 HB2 ASN A 108 4.952 -3.935 -13.230 1.00 43.41 H new ATOM 0 HB3 ASN A 108 6.637 -3.824 -12.760 1.00 43.41 H new ATOM 0 HD21 ASN A 108 5.503 -7.419 -13.428 1.00 45.52 H new ATOM 0 HD22 ASN A 108 5.235 -5.907 -14.301 1.00 45.52 H new ATOM 1700 N LYS A 109 3.818 -5.151 -9.978 1.00 63.13 N ATOM 1701 CA LYS A 109 2.560 -5.669 -9.423 1.00 54.22 C ATOM 1702 C LYS A 109 2.009 -4.713 -8.354 1.00 30.04 C ATOM 1703 O LYS A 109 0.822 -4.383 -8.349 1.00 45.11 O ATOM 1704 CB LYS A 109 2.758 -7.066 -8.807 1.00 1.31 C ATOM 1705 CG LYS A 109 3.284 -8.122 -9.780 1.00 53.22 C ATOM 1706 CD LYS A 109 3.249 -9.525 -9.165 1.00 5.53 C ATOM 1707 CE LYS A 109 4.008 -9.584 -7.843 1.00 22.32 C ATOM 1708 NZ LYS A 109 4.010 -10.949 -7.245 1.00 44.11 N ATOM 0 H LYS A 109 4.637 -5.722 -9.768 1.00 63.13 H new ATOM 0 HA LYS A 109 1.846 -5.746 -10.243 1.00 54.22 H new ATOM 0 HB2 LYS A 109 3.451 -6.985 -7.970 1.00 1.31 H new ATOM 0 HB3 LYS A 109 1.806 -7.408 -8.400 1.00 1.31 H new ATOM 0 HG2 LYS A 109 2.685 -8.109 -10.691 1.00 53.22 H new ATOM 0 HG3 LYS A 109 4.306 -7.876 -10.067 1.00 53.22 H new ATOM 0 HD2 LYS A 109 2.214 -9.825 -9.003 1.00 5.53 H new ATOM 0 HD3 LYS A 109 3.682 -10.239 -9.865 1.00 5.53 H new ATOM 0 HE2 LYS A 109 5.036 -9.260 -8.004 1.00 22.32 H new ATOM 0 HE3 LYS A 109 3.559 -8.883 -7.139 1.00 22.32 H new ATOM 0 HZ1 LYS A 109 4.661 -10.972 -6.434 1.00 44.11 H new ATOM 0 HZ2 LYS A 109 3.050 -11.189 -6.925 1.00 44.11 H new ATOM 0 HZ3 LYS A 109 4.321 -11.640 -7.958 1.00 44.11 H new ATOM 1722 N VAL A 110 2.888 -4.267 -7.457 1.00 42.34 N ATOM 1723 CA VAL A 110 2.508 -3.346 -6.379 1.00 75.00 C ATOM 1724 C VAL A 110 1.908 -2.045 -6.935 1.00 70.44 C ATOM 1725 O VAL A 110 0.803 -1.647 -6.563 1.00 31.42 O ATOM 1726 CB VAL A 110 3.722 -2.997 -5.481 1.00 74.15 C ATOM 1727 CG1 VAL A 110 3.301 -2.088 -4.325 1.00 31.52 C ATOM 1728 CG2 VAL A 110 4.397 -4.266 -4.961 1.00 32.32 C ATOM 0 H VAL A 110 3.874 -4.529 -7.454 1.00 42.34 H new ATOM 0 HA VAL A 110 1.755 -3.860 -5.782 1.00 75.00 H new ATOM 0 HB VAL A 110 4.447 -2.455 -6.088 1.00 74.15 H new ATOM 0 HG11 VAL A 110 4.170 -1.857 -3.709 1.00 31.52 H new ATOM 0 HG12 VAL A 110 2.882 -1.164 -4.723 1.00 31.52 H new ATOM 0 HG13 VAL A 110 2.551 -2.595 -3.718 1.00 31.52 H new ATOM 0 HG21 VAL A 110 5.246 -3.995 -4.333 1.00 32.32 H new ATOM 0 HG22 VAL A 110 3.682 -4.844 -4.375 1.00 32.32 H new ATOM 0 HG23 VAL A 110 4.744 -4.864 -5.803 1.00 32.32 H new ATOM 1738 N LEU A 111 2.646 -1.393 -7.834 1.00 13.12 N ATOM 1739 CA LEU A 111 2.196 -0.138 -8.447 1.00 4.41 C ATOM 1740 C LEU A 111 0.841 -0.316 -9.150 1.00 44.35 C ATOM 1741 O LEU A 111 -0.070 0.492 -8.979 1.00 31.15 O ATOM 1742 CB LEU A 111 3.247 0.369 -9.446 1.00 24.52 C ATOM 1743 CG LEU A 111 2.952 1.747 -10.065 1.00 61.00 C ATOM 1744 CD1 LEU A 111 2.847 2.817 -8.980 1.00 51.30 C ATOM 1745 CD2 LEU A 111 4.021 2.119 -11.091 1.00 71.45 C ATOM 0 H LEU A 111 3.560 -1.712 -8.156 1.00 13.12 H new ATOM 0 HA LEU A 111 2.070 0.599 -7.654 1.00 4.41 H new ATOM 0 HB2 LEU A 111 4.212 0.414 -8.942 1.00 24.52 H new ATOM 0 HB3 LEU A 111 3.342 -0.360 -10.251 1.00 24.52 H new ATOM 0 HG LEU A 111 1.993 1.690 -10.579 1.00 61.00 H new ATOM 0 HD11 LEU A 111 2.638 3.783 -9.440 1.00 51.30 H new ATOM 0 HD12 LEU A 111 2.041 2.561 -8.293 1.00 51.30 H new ATOM 0 HD13 LEU A 111 3.787 2.872 -8.431 1.00 51.30 H new ATOM 0 HD21 LEU A 111 3.793 3.096 -11.516 1.00 71.45 H new ATOM 0 HD22 LEU A 111 4.996 2.153 -10.605 1.00 71.45 H new ATOM 0 HD23 LEU A 111 4.038 1.373 -11.885 1.00 71.45 H new ATOM 1757 N SER A 112 0.712 -1.388 -9.932 1.00 34.54 N ATOM 1758 CA SER A 112 -0.547 -1.692 -10.632 1.00 32.35 C ATOM 1759 C SER A 112 -1.692 -1.942 -9.642 1.00 54.14 C ATOM 1760 O SER A 112 -2.845 -1.598 -9.911 1.00 51.10 O ATOM 1761 CB SER A 112 -0.377 -2.909 -11.550 1.00 41.43 C ATOM 1762 OG SER A 112 0.603 -2.660 -12.548 1.00 2.41 O ATOM 0 H SER A 112 1.459 -2.062 -10.100 1.00 34.54 H new ATOM 0 HA SER A 112 -0.802 -0.822 -11.238 1.00 32.35 H new ATOM 0 HB2 SER A 112 -0.087 -3.777 -10.959 1.00 41.43 H new ATOM 0 HB3 SER A 112 -1.330 -3.149 -12.022 1.00 41.43 H new ATOM 0 HG SER A 112 1.493 -2.860 -12.190 1.00 2.41 H new ATOM 1768 N SER A 113 -1.368 -2.544 -8.498 1.00 61.42 N ATOM 1769 CA SER A 113 -2.357 -2.785 -7.440 1.00 42.30 C ATOM 1770 C SER A 113 -2.855 -1.462 -6.847 1.00 34.11 C ATOM 1771 O SER A 113 -4.058 -1.253 -6.690 1.00 34.31 O ATOM 1772 CB SER A 113 -1.761 -3.663 -6.330 1.00 13.51 C ATOM 1773 OG SER A 113 -2.748 -4.032 -5.380 1.00 42.41 O ATOM 0 H SER A 113 -0.429 -2.875 -8.277 1.00 61.42 H new ATOM 0 HA SER A 113 -3.203 -3.308 -7.887 1.00 42.30 H new ATOM 0 HB2 SER A 113 -1.322 -4.559 -6.768 1.00 13.51 H new ATOM 0 HB3 SER A 113 -0.955 -3.125 -5.831 1.00 13.51 H new ATOM 0 HG SER A 113 -3.332 -4.718 -5.765 1.00 42.41 H new ATOM 1779 N LEU A 114 -1.916 -0.568 -6.538 1.00 12.23 N ATOM 1780 CA LEU A 114 -2.244 0.761 -6.005 1.00 53.21 C ATOM 1781 C LEU A 114 -3.084 1.579 -7.002 1.00 70.14 C ATOM 1782 O LEU A 114 -4.108 2.165 -6.640 1.00 33.24 O ATOM 1783 CB LEU A 114 -0.957 1.525 -5.663 1.00 50.12 C ATOM 1784 CG LEU A 114 -0.040 0.847 -4.628 1.00 42.05 C ATOM 1785 CD1 LEU A 114 1.255 1.636 -4.453 1.00 1.44 C ATOM 1786 CD2 LEU A 114 -0.759 0.684 -3.288 1.00 12.23 C ATOM 0 H LEU A 114 -0.916 -0.738 -6.647 1.00 12.23 H new ATOM 0 HA LEU A 114 -2.836 0.618 -5.101 1.00 53.21 H new ATOM 0 HB2 LEU A 114 -0.390 1.676 -6.581 1.00 50.12 H new ATOM 0 HB3 LEU A 114 -1.229 2.512 -5.290 1.00 50.12 H new ATOM 0 HG LEU A 114 0.213 -0.146 -5.000 1.00 42.05 H new ATOM 0 HD11 LEU A 114 1.887 1.139 -3.717 1.00 1.44 H new ATOM 0 HD12 LEU A 114 1.780 1.689 -5.407 1.00 1.44 H new ATOM 0 HD13 LEU A 114 1.023 2.644 -4.110 1.00 1.44 H new ATOM 0 HD21 LEU A 114 -0.092 0.203 -2.573 1.00 12.23 H new ATOM 0 HD22 LEU A 114 -1.050 1.664 -2.910 1.00 12.23 H new ATOM 0 HD23 LEU A 114 -1.648 0.069 -3.425 1.00 12.23 H new ATOM 1798 N VAL A 115 -2.644 1.614 -8.259 1.00 30.31 N ATOM 1799 CA VAL A 115 -3.375 2.323 -9.315 1.00 34.52 C ATOM 1800 C VAL A 115 -4.796 1.758 -9.486 1.00 5.42 C ATOM 1801 O VAL A 115 -5.767 2.510 -9.559 1.00 55.23 O ATOM 1802 CB VAL A 115 -2.621 2.259 -10.669 1.00 61.52 C ATOM 1803 CG1 VAL A 115 -3.429 2.927 -11.781 1.00 65.32 C ATOM 1804 CG2 VAL A 115 -1.241 2.906 -10.548 1.00 42.10 C ATOM 0 H VAL A 115 -1.786 1.161 -8.574 1.00 30.31 H new ATOM 0 HA VAL A 115 -3.446 3.366 -9.006 1.00 34.52 H new ATOM 0 HB VAL A 115 -2.490 1.209 -10.930 1.00 61.52 H new ATOM 0 HG11 VAL A 115 -2.876 2.867 -12.719 1.00 65.32 H new ATOM 0 HG12 VAL A 115 -4.386 2.418 -11.891 1.00 65.32 H new ATOM 0 HG13 VAL A 115 -3.601 3.973 -11.527 1.00 65.32 H new ATOM 0 HG21 VAL A 115 -0.728 2.851 -11.508 1.00 42.10 H new ATOM 0 HG22 VAL A 115 -1.353 3.950 -10.256 1.00 42.10 H new ATOM 0 HG23 VAL A 115 -0.657 2.379 -9.794 1.00 42.10 H new ATOM 1814 N THR A 116 -4.917 0.431 -9.539 1.00 0.02 N ATOM 1815 CA THR A 116 -6.234 -0.216 -9.633 1.00 13.40 C ATOM 1816 C THR A 116 -7.097 0.103 -8.405 1.00 71.21 C ATOM 1817 O THR A 116 -8.291 0.368 -8.531 1.00 33.02 O ATOM 1818 CB THR A 116 -6.127 -1.754 -9.784 1.00 15.11 C ATOM 1819 OG1 THR A 116 -5.385 -2.082 -10.967 1.00 13.20 O ATOM 1820 CG2 THR A 116 -7.511 -2.399 -9.855 1.00 2.44 C ATOM 0 H THR A 116 -4.128 -0.216 -9.519 1.00 0.02 H new ATOM 0 HA THR A 116 -6.705 0.187 -10.530 1.00 13.40 H new ATOM 0 HB THR A 116 -5.609 -2.142 -8.907 1.00 15.11 H new ATOM 0 HG1 THR A 116 -4.427 -1.969 -10.794 1.00 13.20 H new ATOM 0 HG21 THR A 116 -7.404 -3.479 -9.961 1.00 2.44 H new ATOM 0 HG22 THR A 116 -8.063 -2.177 -8.942 1.00 2.44 H new ATOM 0 HG23 THR A 116 -8.054 -2.002 -10.713 1.00 2.44 H new ATOM 1828 N LEU A 117 -6.481 0.080 -7.222 1.00 23.55 N ATOM 1829 CA LEU A 117 -7.171 0.429 -5.974 1.00 11.40 C ATOM 1830 C LEU A 117 -7.770 1.845 -6.055 1.00 55.14 C ATOM 1831 O LEU A 117 -8.873 2.099 -5.564 1.00 12.22 O ATOM 1832 CB LEU A 117 -6.195 0.319 -4.791 1.00 24.14 C ATOM 1833 CG LEU A 117 -6.791 0.603 -3.401 1.00 71.52 C ATOM 1834 CD1 LEU A 117 -7.948 -0.344 -3.096 1.00 34.32 C ATOM 1835 CD2 LEU A 117 -5.714 0.498 -2.323 1.00 32.31 C ATOM 0 H LEU A 117 -5.502 -0.177 -7.099 1.00 23.55 H new ATOM 0 HA LEU A 117 -7.992 -0.271 -5.821 1.00 11.40 H new ATOM 0 HB2 LEU A 117 -5.772 -0.686 -4.786 1.00 24.14 H new ATOM 0 HB3 LEU A 117 -5.370 1.011 -4.960 1.00 24.14 H new ATOM 0 HG LEU A 117 -7.180 1.621 -3.404 1.00 71.52 H new ATOM 0 HD11 LEU A 117 -8.350 -0.121 -2.108 1.00 34.32 H new ATOM 0 HD12 LEU A 117 -8.731 -0.215 -3.844 1.00 34.32 H new ATOM 0 HD13 LEU A 117 -7.591 -1.374 -3.118 1.00 34.32 H new ATOM 0 HD21 LEU A 117 -6.155 0.702 -1.347 1.00 32.31 H new ATOM 0 HD22 LEU A 117 -5.292 -0.507 -2.327 1.00 32.31 H new ATOM 0 HD23 LEU A 117 -4.926 1.224 -2.524 1.00 32.31 H new ATOM 1847 N ASN A 118 -7.037 2.759 -6.688 1.00 21.52 N ATOM 1848 CA ASN A 118 -7.539 4.111 -6.961 1.00 41.14 C ATOM 1849 C ASN A 118 -8.710 4.069 -7.960 1.00 63.52 C ATOM 1850 O ASN A 118 -9.774 4.630 -7.712 1.00 22.20 O ATOM 1851 CB ASN A 118 -6.408 4.991 -7.519 1.00 34.32 C ATOM 1852 CG ASN A 118 -6.877 6.395 -7.862 1.00 70.23 C ATOM 1853 OD1 ASN A 118 -7.332 6.661 -8.971 1.00 22.44 O ATOM 1854 ND2 ASN A 118 -6.766 7.307 -6.920 1.00 4.41 N ATOM 0 H ASN A 118 -6.089 2.590 -7.024 1.00 21.52 H new ATOM 0 HA ASN A 118 -7.899 4.538 -6.025 1.00 41.14 H new ATOM 0 HB2 ASN A 118 -5.603 5.049 -6.787 1.00 34.32 H new ATOM 0 HB3 ASN A 118 -5.994 4.522 -8.411 1.00 34.32 H new ATOM 0 HD21 ASN A 118 -7.062 8.266 -7.101 1.00 4.41 H new ATOM 0 HD22 ASN A 118 -6.384 7.055 -6.008 1.00 4.41 H new ATOM 1861 N LYS A 119 -8.498 3.380 -9.082 1.00 25.11 N ATOM 1862 CA LYS A 119 -9.491 3.302 -10.164 1.00 64.22 C ATOM 1863 C LYS A 119 -10.840 2.742 -9.681 1.00 10.35 C ATOM 1864 O LYS A 119 -11.893 3.325 -9.941 1.00 5.40 O ATOM 1865 CB LYS A 119 -8.953 2.435 -11.310 1.00 41.14 C ATOM 1866 CG LYS A 119 -7.707 3.007 -11.987 1.00 41.23 C ATOM 1867 CD LYS A 119 -7.155 2.068 -13.057 1.00 13.03 C ATOM 1868 CE LYS A 119 -8.181 1.777 -14.147 1.00 74.23 C ATOM 1869 NZ LYS A 119 -8.635 3.015 -14.834 1.00 70.44 N ATOM 0 H LYS A 119 -7.640 2.862 -9.270 1.00 25.11 H new ATOM 0 HA LYS A 119 -9.664 4.319 -10.516 1.00 64.22 H new ATOM 0 HB2 LYS A 119 -8.721 1.442 -10.924 1.00 41.14 H new ATOM 0 HB3 LYS A 119 -9.736 2.311 -12.058 1.00 41.14 H new ATOM 0 HG2 LYS A 119 -7.949 3.969 -12.439 1.00 41.23 H new ATOM 0 HG3 LYS A 119 -6.939 3.192 -11.236 1.00 41.23 H new ATOM 0 HD2 LYS A 119 -6.266 2.512 -13.505 1.00 13.03 H new ATOM 0 HD3 LYS A 119 -6.844 1.132 -12.593 1.00 13.03 H new ATOM 0 HE2 LYS A 119 -7.748 1.095 -14.879 1.00 74.23 H new ATOM 0 HE3 LYS A 119 -9.041 1.270 -13.709 1.00 74.23 H new ATOM 0 HZ1 LYS A 119 -9.225 2.762 -15.652 1.00 70.44 H new ATOM 0 HZ2 LYS A 119 -9.190 3.595 -14.173 1.00 70.44 H new ATOM 0 HZ3 LYS A 119 -7.808 3.556 -15.158 1.00 70.44 H new ATOM 1883 N VAL A 120 -10.802 1.610 -8.977 1.00 20.02 N ATOM 1884 CA VAL A 120 -12.026 0.948 -8.508 1.00 20.43 C ATOM 1885 C VAL A 120 -12.817 1.822 -7.514 1.00 71.21 C ATOM 1886 O VAL A 120 -14.029 1.976 -7.646 1.00 10.31 O ATOM 1887 CB VAL A 120 -11.724 -0.438 -7.871 1.00 32.11 C ATOM 1888 CG1 VAL A 120 -11.161 -1.401 -8.916 1.00 21.54 C ATOM 1889 CG2 VAL A 120 -10.763 -0.311 -6.687 1.00 62.34 C ATOM 0 H VAL A 120 -9.940 1.131 -8.718 1.00 20.02 H new ATOM 0 HA VAL A 120 -12.645 0.796 -9.392 1.00 20.43 H new ATOM 0 HB VAL A 120 -12.665 -0.842 -7.496 1.00 32.11 H new ATOM 0 HG11 VAL A 120 -10.956 -2.365 -8.450 1.00 21.54 H new ATOM 0 HG12 VAL A 120 -11.887 -1.533 -9.718 1.00 21.54 H new ATOM 0 HG13 VAL A 120 -10.237 -0.993 -9.326 1.00 21.54 H new ATOM 0 HG21 VAL A 120 -10.573 -1.298 -6.265 1.00 62.34 H new ATOM 0 HG22 VAL A 120 -9.824 0.126 -7.026 1.00 62.34 H new ATOM 0 HG23 VAL A 120 -11.207 0.330 -5.925 1.00 62.34 H new ATOM 1899 N THR A 121 -12.128 2.412 -6.537 1.00 3.02 N ATOM 1900 CA THR A 121 -12.790 3.264 -5.535 1.00 51.32 C ATOM 1901 C THR A 121 -13.278 4.584 -6.151 1.00 33.43 C ATOM 1902 O THR A 121 -14.339 5.098 -5.784 1.00 4.53 O ATOM 1903 CB THR A 121 -11.860 3.569 -4.340 1.00 54.41 C ATOM 1904 OG1 THR A 121 -10.648 4.187 -4.800 1.00 40.41 O ATOM 1905 CG2 THR A 121 -11.528 2.294 -3.570 1.00 34.44 C ATOM 0 H THR A 121 -11.120 2.320 -6.414 1.00 3.02 H new ATOM 0 HA THR A 121 -13.652 2.703 -5.174 1.00 51.32 H new ATOM 0 HB THR A 121 -12.382 4.253 -3.671 1.00 54.41 H new ATOM 0 HG1 THR A 121 -10.022 3.496 -5.101 1.00 40.41 H new ATOM 0 HG21 THR A 121 -10.872 2.535 -2.733 1.00 34.44 H new ATOM 0 HG22 THR A 121 -12.448 1.847 -3.193 1.00 34.44 H new ATOM 0 HG23 THR A 121 -11.027 1.589 -4.233 1.00 34.44 H new ATOM 1913 N ALA A 122 -12.505 5.127 -7.087 1.00 5.24 N ATOM 1914 CA ALA A 122 -12.923 6.311 -7.844 1.00 0.41 C ATOM 1915 C ALA A 122 -14.197 6.024 -8.656 1.00 23.32 C ATOM 1916 O ALA A 122 -15.110 6.848 -8.715 1.00 21.35 O ATOM 1917 CB ALA A 122 -11.800 6.776 -8.764 1.00 50.31 C ATOM 0 H ALA A 122 -11.585 4.769 -7.342 1.00 5.24 H new ATOM 0 HA ALA A 122 -13.146 7.107 -7.133 1.00 0.41 H new ATOM 0 HB1 ALA A 122 -12.125 7.656 -9.319 1.00 50.31 H new ATOM 0 HB2 ALA A 122 -10.922 7.027 -8.169 1.00 50.31 H new ATOM 0 HB3 ALA A 122 -11.548 5.978 -9.463 1.00 50.31 H new ATOM 1923 N ASP A 123 -14.252 4.844 -9.274 1.00 11.44 N ATOM 1924 CA ASP A 123 -15.440 4.402 -10.011 1.00 63.44 C ATOM 1925 C ASP A 123 -16.649 4.249 -9.067 1.00 25.15 C ATOM 1926 O ASP A 123 -17.777 4.597 -9.419 1.00 15.11 O ATOM 1927 CB ASP A 123 -15.148 3.078 -10.727 1.00 5.23 C ATOM 1928 CG ASP A 123 -16.309 2.616 -11.590 1.00 24.45 C ATOM 1929 OD1 ASP A 123 -16.432 3.093 -12.737 1.00 53.22 O ATOM 1930 OD2 ASP A 123 -17.105 1.774 -11.126 1.00 45.51 O ATOM 0 H ASP A 123 -13.484 4.173 -9.280 1.00 11.44 H new ATOM 0 HA ASP A 123 -15.688 5.160 -10.754 1.00 63.44 H new ATOM 0 HB2 ASP A 123 -14.260 3.193 -11.349 1.00 5.23 H new ATOM 0 HB3 ASP A 123 -14.922 2.311 -9.987 1.00 5.23 H new