USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 ASN : amide:sc= -7.08! K(o=-11!,f=-0.31) USER MOD Set 1.2: A 102 LYS NZ :NH3+ -109:sc= -3.95! (180deg=0) USER MOD Set 2.1: A 47 CYS SG : rot -144:sc= -0.875 USER MOD Set 2.2: A 49 HIS : no HE2:sc= -4.23! C(o=-5.1!,f=-14!) USER MOD Set 3.1: A 28 ASN : amide:sc= -2.19 K(o=-4.7,f=-5.8!) USER MOD Set 3.2: A 33 GLN : amide:sc= -2.52! K(o=-4.7!,f=-3.4) USER MOD Set 4.1: A 23 THR OG1 : rot -91:sc= 1.26 USER MOD Set 4.2: A 26 ASN : amide:sc= -0.588 K(o=0.67,f=-2.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -167:sc= 1.67 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 80:sc= -2.63 USER MOD Single : A 51 GLN : amide:sc= -2.83! C(o=-2.8!,f=-2.7!) USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.06 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0199) USER MOD Single : A 74 ASN : amide:sc= -6.75! C(o=-6.8!,f=-17!) USER MOD Single : A 77 LYS NZ :NH3+ -162:sc= -0.0174 (180deg=-0.224) USER MOD Single : A 78 HIS : no HD1:sc= -8.38! C(o=-8.4!,f=-6.4!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 85 TYR OH : rot 75:sc= 0.705 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 17:sc= -0.333 USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 0.0499 (180deg=0.00262) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0.204 (180deg=0.153) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 120:sc= -0.0305 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.610 2.755 -11.743 1.00 0.00 N ATOM 196 CA ASP A 18 7.306 1.329 -11.715 1.00 0.00 C ATOM 197 C ASP A 18 6.127 1.043 -10.789 1.00 0.00 C ATOM 198 O ASP A 18 5.606 -0.072 -10.756 1.00 0.00 O ATOM 199 CB ASP A 18 8.531 0.533 -11.261 1.00 0.00 C ATOM 200 CG ASP A 18 9.747 0.800 -12.126 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.259 1.938 -12.094 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.186 -0.129 -12.837 1.00 0.00 O ATOM 0 HA ASP A 18 7.036 1.021 -12.725 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.762 0.786 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.298 -0.532 -11.285 1.00 0.00 H new ATOM 207 N VAL A 19 5.712 2.058 -10.038 1.00 0.00 N ATOM 208 CA VAL A 19 4.595 1.916 -9.111 1.00 0.00 C ATOM 209 C VAL A 19 3.265 1.871 -9.856 1.00 0.00 C ATOM 210 O VAL A 19 3.000 2.705 -10.723 1.00 0.00 O ATOM 211 CB VAL A 19 4.561 3.071 -8.092 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.294 3.005 -7.253 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.798 3.036 -7.208 1.00 0.00 C ATOM 0 H VAL A 19 6.132 2.987 -10.053 1.00 0.00 H new ATOM 0 HA VAL A 19 4.742 0.976 -8.579 1.00 0.00 H new ATOM 0 HB VAL A 19 4.558 4.015 -8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.287 3.828 -6.539 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.423 3.081 -7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.263 2.058 -6.715 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.758 3.859 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.834 2.089 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.690 3.135 -7.826 1.00 0.00 H new ATOM 223 N ILE A 20 2.434 0.894 -9.512 1.00 0.00 N ATOM 224 CA ILE A 20 1.131 0.741 -10.148 1.00 0.00 C ATOM 225 C ILE A 20 0.076 1.593 -9.450 1.00 0.00 C ATOM 226 O ILE A 20 -0.180 1.428 -8.258 1.00 0.00 O ATOM 227 CB ILE A 20 0.671 -0.729 -10.144 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.606 -1.580 -11.006 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.762 -0.837 -10.642 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.525 -3.060 -10.704 1.00 0.00 C ATOM 0 H ILE A 20 2.639 0.196 -8.797 1.00 0.00 H new ATOM 0 HA ILE A 20 1.242 1.076 -11.179 1.00 0.00 H new ATOM 0 HB ILE A 20 0.708 -1.104 -9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.366 -1.418 -12.057 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.632 -1.243 -10.857 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.072 -1.882 -10.633 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.418 -0.258 -9.992 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.824 -0.449 -11.659 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.214 -3.602 -11.352 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.794 -3.234 -9.662 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.509 -3.412 -10.880 1.00 0.00 H new ATOM 242 N GLU A 21 -0.534 2.504 -10.203 1.00 0.00 N ATOM 243 CA GLU A 21 -1.562 3.382 -9.656 1.00 0.00 C ATOM 244 C GLU A 21 -2.804 2.586 -9.263 1.00 0.00 C ATOM 245 O GLU A 21 -3.638 2.259 -10.108 1.00 0.00 O ATOM 246 CB GLU A 21 -1.936 4.462 -10.673 1.00 0.00 C ATOM 247 CG GLU A 21 -2.462 5.738 -10.040 1.00 0.00 C ATOM 248 CD GLU A 21 -2.394 6.927 -10.979 1.00 0.00 C ATOM 249 OE1 GLU A 21 -1.488 6.952 -11.838 1.00 0.00 O ATOM 250 OE2 GLU A 21 -3.245 7.832 -10.854 1.00 0.00 O ATOM 0 H GLU A 21 -0.334 2.653 -11.192 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.159 3.859 -8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.060 4.700 -11.276 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.691 4.065 -11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.495 5.585 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.886 5.957 -9.141 1.00 0.00 H new ATOM 257 N LEU A 22 -2.919 2.278 -7.976 1.00 0.00 N ATOM 258 CA LEU A 22 -4.058 1.520 -7.469 1.00 0.00 C ATOM 259 C LEU A 22 -5.239 2.441 -7.180 1.00 0.00 C ATOM 260 O LEU A 22 -5.087 3.480 -6.536 1.00 0.00 O ATOM 261 CB LEU A 22 -3.666 0.760 -6.201 1.00 0.00 C ATOM 262 CG LEU A 22 -2.792 -0.479 -6.404 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.462 -1.124 -5.067 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.484 -1.475 -7.323 1.00 0.00 C ATOM 0 H LEU A 22 -2.238 2.541 -7.264 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.358 0.805 -8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.140 1.447 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.578 0.456 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.859 -0.169 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.840 -2.004 -5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.925 -0.411 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.385 -1.420 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.848 -2.350 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.433 -1.780 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.668 -1.010 -8.291 1.00 0.00 H new ATOM 276 N THR A 23 -6.417 2.052 -7.658 1.00 0.00 N ATOM 277 CA THR A 23 -7.624 2.841 -7.450 1.00 0.00 C ATOM 278 C THR A 23 -8.777 1.967 -6.971 1.00 0.00 C ATOM 279 O THR A 23 -8.756 0.743 -7.103 1.00 0.00 O ATOM 280 CB THR A 23 -8.049 3.570 -8.739 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.051 2.810 -9.423 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.855 3.786 -9.656 1.00 0.00 C ATOM 0 H THR A 23 -6.560 1.195 -8.192 1.00 0.00 H new ATOM 0 HA THR A 23 -7.389 3.580 -6.684 1.00 0.00 H new ATOM 0 HB THR A 23 -8.456 4.543 -8.464 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.622 2.202 -10.061 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.179 4.302 -10.560 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.106 4.389 -9.142 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.423 2.822 -9.924 1.00 0.00 H new ATOM 290 N PRO A 24 -9.809 2.606 -6.401 1.00 0.00 N ATOM 291 CA PRO A 24 -10.992 1.905 -5.892 1.00 0.00 C ATOM 292 C PRO A 24 -11.845 1.320 -7.012 1.00 0.00 C ATOM 293 O PRO A 24 -13.018 1.004 -6.811 1.00 0.00 O ATOM 294 CB PRO A 24 -11.761 3.000 -5.149 1.00 0.00 C ATOM 295 CG PRO A 24 -11.333 4.271 -5.799 1.00 0.00 C ATOM 296 CD PRO A 24 -9.902 4.063 -6.211 1.00 0.00 C ATOM 0 HA PRO A 24 -10.724 1.054 -5.266 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.838 2.855 -5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.522 2.999 -4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.959 4.498 -6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.423 5.111 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.665 4.603 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.209 4.413 -5.446 1.00 0.00 H new ATOM 304 N SER A 25 -11.249 1.177 -8.191 1.00 0.00 N ATOM 305 CA SER A 25 -11.957 0.632 -9.344 1.00 0.00 C ATOM 306 C SER A 25 -11.250 -0.610 -9.878 1.00 0.00 C ATOM 307 O SER A 25 -11.859 -1.444 -10.546 1.00 0.00 O ATOM 308 CB SER A 25 -12.064 1.686 -10.448 1.00 0.00 C ATOM 309 OG SER A 25 -13.169 2.546 -10.227 1.00 0.00 O ATOM 0 H SER A 25 -10.278 1.431 -8.373 1.00 0.00 H new ATOM 0 HA SER A 25 -12.960 0.349 -9.023 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.145 2.272 -10.486 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.169 1.195 -11.415 1.00 0.00 H new ATOM 0 HG SER A 25 -13.214 3.211 -10.945 1.00 0.00 H new ATOM 315 N ASN A 26 -9.960 -0.724 -9.578 1.00 0.00 N ATOM 316 CA ASN A 26 -9.169 -1.863 -10.028 1.00 0.00 C ATOM 317 C ASN A 26 -8.468 -2.537 -8.852 1.00 0.00 C ATOM 318 O ASN A 26 -8.065 -3.697 -8.937 1.00 0.00 O ATOM 319 CB ASN A 26 -8.136 -1.416 -11.064 1.00 0.00 C ATOM 320 CG ASN A 26 -7.665 0.007 -10.833 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.374 0.965 -11.142 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.462 0.151 -10.289 1.00 0.00 N ATOM 0 H ASN A 26 -9.441 -0.042 -9.025 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.845 -2.584 -10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.279 -2.089 -11.033 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.568 -1.496 -12.062 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.091 1.084 -10.111 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.909 -0.672 -10.049 1.00 0.00 H new ATOM 329 N PHE A 27 -8.326 -1.801 -7.754 1.00 0.00 N ATOM 330 CA PHE A 27 -7.673 -2.326 -6.561 1.00 0.00 C ATOM 331 C PHE A 27 -7.984 -3.809 -6.379 1.00 0.00 C ATOM 332 O PHE A 27 -7.158 -4.570 -5.878 1.00 0.00 O ATOM 333 CB PHE A 27 -8.120 -1.545 -5.324 1.00 0.00 C ATOM 334 CG PHE A 27 -7.355 -1.901 -4.081 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.455 -3.169 -3.530 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.537 -0.969 -3.464 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.753 -3.500 -2.386 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.832 -1.295 -2.321 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.941 -2.561 -1.781 1.00 0.00 C ATOM 0 H PHE A 27 -8.655 -0.839 -7.666 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.596 -2.211 -6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.007 -0.478 -5.517 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.181 -1.727 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.089 -3.907 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.449 0.023 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.839 -4.491 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.196 -0.560 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.392 -2.817 -0.887 1.00 0.00 H new ATOM 349 N ASN A 28 -9.182 -4.211 -6.791 1.00 0.00 N ATOM 350 CA ASN A 28 -9.603 -5.603 -6.673 1.00 0.00 C ATOM 351 C ASN A 28 -9.065 -6.434 -7.834 1.00 0.00 C ATOM 352 O ASN A 28 -8.589 -7.553 -7.640 1.00 0.00 O ATOM 353 CB ASN A 28 -11.130 -5.693 -6.631 1.00 0.00 C ATOM 354 CG ASN A 28 -11.617 -7.071 -6.227 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.898 -7.324 -5.056 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.718 -7.971 -7.199 1.00 0.00 N ATOM 0 H ASN A 28 -9.878 -3.594 -7.209 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.196 -6.003 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.516 -4.954 -5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.533 -5.441 -7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.039 -8.916 -6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.474 -7.717 -8.156 1.00 0.00 H new ATOM 363 N ARG A 29 -9.145 -5.879 -9.039 1.00 0.00 N ATOM 364 CA ARG A 29 -8.667 -6.570 -10.230 1.00 0.00 C ATOM 365 C ARG A 29 -7.147 -6.479 -10.338 1.00 0.00 C ATOM 366 O ARG A 29 -6.541 -7.090 -11.218 1.00 0.00 O ATOM 367 CB ARG A 29 -9.313 -5.976 -11.483 1.00 0.00 C ATOM 368 CG ARG A 29 -10.701 -6.525 -11.771 1.00 0.00 C ATOM 369 CD ARG A 29 -10.638 -7.946 -12.310 1.00 0.00 C ATOM 370 NE ARG A 29 -10.503 -7.973 -13.764 1.00 0.00 N ATOM 371 CZ ARG A 29 -10.811 -9.028 -14.511 1.00 0.00 C ATOM 372 NH1 ARG A 29 -11.269 -10.135 -13.944 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.662 -8.976 -15.829 1.00 0.00 N ATOM 0 H ARG A 29 -9.536 -4.954 -9.216 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.947 -7.620 -10.147 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.376 -4.894 -11.371 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.669 -6.171 -12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.297 -6.507 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.205 -5.883 -12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.795 -8.468 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.540 -8.485 -12.019 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.153 -7.137 -14.231 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.386 -10.179 -12.932 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.505 -10.943 -14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.311 -8.126 -16.269 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.899 -9.786 -16.401 1.00 0.00 H new ATOM 387 N GLU A 30 -6.539 -5.713 -9.438 1.00 0.00 N ATOM 388 CA GLU A 30 -5.091 -5.543 -9.433 1.00 0.00 C ATOM 389 C GLU A 30 -4.457 -6.304 -8.272 1.00 0.00 C ATOM 390 O GLU A 30 -3.502 -7.058 -8.458 1.00 0.00 O ATOM 391 CB GLU A 30 -4.731 -4.059 -9.342 1.00 0.00 C ATOM 392 CG GLU A 30 -4.630 -3.372 -10.694 1.00 0.00 C ATOM 393 CD GLU A 30 -3.337 -3.696 -11.418 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.277 -3.717 -10.757 1.00 0.00 O ATOM 395 OE2 GLU A 30 -3.385 -3.929 -12.643 1.00 0.00 O ATOM 0 H GLU A 30 -7.027 -5.200 -8.703 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.700 -5.948 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.482 -3.548 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.780 -3.956 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.474 -3.673 -11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.704 -2.293 -10.556 1.00 0.00 H new ATOM 402 N VAL A 31 -4.996 -6.099 -7.074 1.00 0.00 N ATOM 403 CA VAL A 31 -4.484 -6.766 -5.882 1.00 0.00 C ATOM 404 C VAL A 31 -5.328 -7.985 -5.530 1.00 0.00 C ATOM 405 O VAL A 31 -4.850 -9.119 -5.580 1.00 0.00 O ATOM 406 CB VAL A 31 -4.453 -5.810 -4.675 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.891 -6.516 -3.450 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.642 -4.565 -5.002 1.00 0.00 C ATOM 0 H VAL A 31 -5.786 -5.477 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.467 -7.086 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.474 -5.502 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.876 -5.825 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.517 -7.374 -3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.876 -6.855 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.631 -3.901 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.621 -4.852 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.093 -4.050 -5.850 1.00 0.00 H new ATOM 418 N ILE A 32 -6.585 -7.745 -5.174 1.00 0.00 N ATOM 419 CA ILE A 32 -7.497 -8.825 -4.814 1.00 0.00 C ATOM 420 C ILE A 32 -7.472 -9.935 -5.859 1.00 0.00 C ATOM 421 O ILE A 32 -7.618 -11.112 -5.530 1.00 0.00 O ATOM 422 CB ILE A 32 -8.941 -8.313 -4.658 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.989 -7.149 -3.667 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.856 -9.441 -4.204 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.566 -7.530 -2.266 1.00 0.00 C ATOM 0 H ILE A 32 -6.996 -6.813 -5.127 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.156 -9.222 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.291 -7.955 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.343 -6.349 -4.028 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.003 -6.751 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.873 -9.064 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.841 -10.242 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.510 -9.826 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.625 -6.656 -1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.227 -8.309 -1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.541 -7.900 -2.283 1.00 0.00 H new ATOM 437 N GLN A 33 -7.285 -9.552 -7.118 1.00 0.00 N ATOM 438 CA GLN A 33 -7.241 -10.517 -8.210 1.00 0.00 C ATOM 439 C GLN A 33 -5.801 -10.891 -8.547 1.00 0.00 C ATOM 440 O GLN A 33 -5.484 -11.212 -9.693 1.00 0.00 O ATOM 441 CB GLN A 33 -7.935 -9.948 -9.449 1.00 0.00 C ATOM 442 CG GLN A 33 -9.450 -9.898 -9.328 1.00 0.00 C ATOM 443 CD GLN A 33 -10.001 -10.996 -8.440 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.251 -12.112 -8.896 1.00 0.00 O ATOM 445 NE2 GLN A 33 -10.194 -10.684 -7.163 1.00 0.00 N ATOM 0 H GLN A 33 -7.162 -8.582 -7.407 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.766 -11.417 -7.889 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.560 -8.942 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.668 -10.553 -10.315 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.747 -8.929 -8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.893 -9.982 -10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.973 -9.746 -6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.563 -11.382 -6.518 1.00 0.00 H new ATOM 454 N SER A 34 -4.933 -10.848 -7.541 1.00 0.00 N ATOM 455 CA SER A 34 -3.525 -11.179 -7.732 1.00 0.00 C ATOM 456 C SER A 34 -3.144 -12.415 -6.923 1.00 0.00 C ATOM 457 O SER A 34 -3.287 -12.440 -5.701 1.00 0.00 O ATOM 458 CB SER A 34 -2.642 -9.998 -7.326 1.00 0.00 C ATOM 459 OG SER A 34 -1.293 -10.219 -7.696 1.00 0.00 O ATOM 0 H SER A 34 -5.179 -10.587 -6.586 1.00 0.00 H new ATOM 0 HA SER A 34 -3.368 -11.394 -8.789 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.008 -9.087 -7.800 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.706 -9.845 -6.249 1.00 0.00 H new ATOM 0 HG SER A 34 -0.720 -9.558 -7.254 1.00 0.00 H new ATOM 465 N ASP A 35 -2.658 -13.440 -7.615 1.00 0.00 N ATOM 466 CA ASP A 35 -2.254 -14.680 -6.963 1.00 0.00 C ATOM 467 C ASP A 35 -0.820 -14.584 -6.452 1.00 0.00 C ATOM 468 O ASP A 35 -0.129 -15.592 -6.317 1.00 0.00 O ATOM 469 CB ASP A 35 -2.386 -15.857 -7.931 1.00 0.00 C ATOM 470 CG ASP A 35 -2.678 -17.163 -7.219 1.00 0.00 C ATOM 471 OD1 ASP A 35 -1.716 -17.829 -6.784 1.00 0.00 O ATOM 472 OD2 ASP A 35 -3.869 -17.519 -7.098 1.00 0.00 O ATOM 0 H ASP A 35 -2.534 -13.436 -8.627 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.914 -14.845 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.184 -15.649 -8.644 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.464 -15.957 -8.504 1.00 0.00 H new ATOM 477 N GLY A 36 -0.379 -13.362 -6.170 1.00 0.00 N ATOM 478 CA GLY A 36 0.971 -13.155 -5.678 1.00 0.00 C ATOM 479 C GLY A 36 1.019 -12.207 -4.497 1.00 0.00 C ATOM 480 O GLY A 36 0.096 -12.171 -3.682 1.00 0.00 O ATOM 0 H GLY A 36 -0.932 -12.511 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.399 -14.114 -5.387 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.591 -12.760 -6.483 1.00 0.00 H new ATOM 484 N LEU A 37 2.098 -11.438 -4.402 1.00 0.00 N ATOM 485 CA LEU A 37 2.264 -10.485 -3.310 1.00 0.00 C ATOM 486 C LEU A 37 2.060 -9.055 -3.799 1.00 0.00 C ATOM 487 O LEU A 37 2.590 -8.662 -4.838 1.00 0.00 O ATOM 488 CB LEU A 37 3.655 -10.629 -2.688 1.00 0.00 C ATOM 489 CG LEU A 37 3.773 -10.244 -1.213 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.188 -11.333 -0.328 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.226 -9.979 -0.846 1.00 0.00 C ATOM 0 H LEU A 37 2.871 -11.456 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 37 1.510 -10.702 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.976 -11.665 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.352 -10.016 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 37 3.205 -9.328 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.281 -11.041 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.135 -11.474 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.728 -12.265 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.291 -9.706 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.816 -10.878 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.613 -9.163 -1.457 1.00 0.00 H new ATOM 503 N TRP A 38 1.290 -8.281 -3.043 1.00 0.00 N ATOM 504 CA TRP A 38 1.017 -6.893 -3.398 1.00 0.00 C ATOM 505 C TRP A 38 1.355 -5.958 -2.242 1.00 0.00 C ATOM 506 O TRP A 38 1.011 -6.229 -1.091 1.00 0.00 O ATOM 507 CB TRP A 38 -0.451 -6.725 -3.794 1.00 0.00 C ATOM 508 CG TRP A 38 -0.674 -6.752 -5.276 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.982 -7.842 -6.039 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.604 -5.639 -6.173 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.107 -7.473 -7.356 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.881 -6.127 -7.465 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.336 -4.277 -6.011 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.896 -5.300 -8.585 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.351 -3.458 -7.124 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.630 -3.971 -8.397 1.00 0.00 C ATOM 0 H TRP A 38 0.843 -8.591 -2.180 1.00 0.00 H new ATOM 0 HA TRP A 38 1.647 -6.631 -4.248 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.038 -7.519 -3.331 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.822 -5.781 -3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.109 -8.846 -5.662 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.332 -8.100 -8.128 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.121 -3.872 -5.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.110 -5.694 -9.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.144 -2.404 -7.010 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.635 -3.305 -9.247 1.00 0.00 H new ATOM 527 N LEU A 39 2.029 -4.857 -2.555 1.00 0.00 N ATOM 528 CA LEU A 39 2.413 -3.881 -1.541 1.00 0.00 C ATOM 529 C LEU A 39 1.732 -2.539 -1.791 1.00 0.00 C ATOM 530 O LEU A 39 2.163 -1.762 -2.643 1.00 0.00 O ATOM 531 CB LEU A 39 3.932 -3.701 -1.528 1.00 0.00 C ATOM 532 CG LEU A 39 4.706 -4.594 -0.558 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.201 -4.497 -0.820 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.389 -4.218 0.882 1.00 0.00 C ATOM 0 H LEU A 39 2.321 -4.618 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 39 2.089 -4.256 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.308 -3.882 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.152 -2.661 -1.287 1.00 0.00 H new ATOM 0 HG LEU A 39 4.396 -5.627 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.735 -5.139 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.413 -4.817 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.527 -3.465 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.949 -4.864 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.670 -3.179 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.321 -4.341 1.064 1.00 0.00 H new ATOM 546 N VAL A 40 0.667 -2.273 -1.042 1.00 0.00 N ATOM 547 CA VAL A 40 -0.071 -1.024 -1.180 1.00 0.00 C ATOM 548 C VAL A 40 0.290 -0.046 -0.067 1.00 0.00 C ATOM 549 O VAL A 40 0.206 -0.378 1.115 1.00 0.00 O ATOM 550 CB VAL A 40 -1.592 -1.266 -1.161 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.341 0.014 -1.500 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.965 -2.383 -2.125 1.00 0.00 C ATOM 0 H VAL A 40 0.296 -2.906 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 40 0.210 -0.595 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.881 -1.572 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.414 -0.177 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.097 0.783 -0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.050 0.354 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.043 -2.541 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.663 -2.108 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.457 -3.302 -1.832 1.00 0.00 H new ATOM 562 N GLU A 41 0.691 1.161 -0.454 1.00 0.00 N ATOM 563 CA GLU A 41 1.066 2.187 0.512 1.00 0.00 C ATOM 564 C GLU A 41 0.136 3.393 0.412 1.00 0.00 C ATOM 565 O GLU A 41 0.075 4.060 -0.621 1.00 0.00 O ATOM 566 CB GLU A 41 2.514 2.626 0.287 1.00 0.00 C ATOM 567 CG GLU A 41 2.806 4.034 0.777 1.00 0.00 C ATOM 568 CD GLU A 41 2.858 5.046 -0.351 1.00 0.00 C ATOM 569 OE1 GLU A 41 2.188 4.820 -1.381 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.569 6.062 -0.206 1.00 0.00 O ATOM 0 H GLU A 41 0.764 1.452 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 41 0.975 1.761 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.180 1.928 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.742 2.566 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.039 4.332 1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.757 4.039 1.309 1.00 0.00 H new ATOM 577 N PHE A 42 -0.587 3.666 1.493 1.00 0.00 N ATOM 578 CA PHE A 42 -1.515 4.790 1.529 1.00 0.00 C ATOM 579 C PHE A 42 -0.790 6.083 1.888 1.00 0.00 C ATOM 580 O PHE A 42 -0.470 6.326 3.052 1.00 0.00 O ATOM 581 CB PHE A 42 -2.635 4.523 2.537 1.00 0.00 C ATOM 582 CG PHE A 42 -3.436 3.290 2.230 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.980 2.038 2.610 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.646 3.383 1.561 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.715 0.902 2.329 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.386 2.251 1.279 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.920 1.008 1.662 1.00 0.00 C ATOM 0 H PHE A 42 -0.548 3.124 2.356 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.949 4.902 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.202 4.427 3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.303 5.384 2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.039 1.949 3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.015 4.351 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.348 -0.068 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.329 2.338 0.759 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.496 0.122 1.441 1.00 0.00 H new ATOM 597 N TYR A 43 -0.534 6.910 0.880 1.00 0.00 N ATOM 598 CA TYR A 43 0.157 8.177 1.088 1.00 0.00 C ATOM 599 C TYR A 43 -0.807 9.352 0.949 1.00 0.00 C ATOM 600 O TYR A 43 -1.991 9.167 0.668 1.00 0.00 O ATOM 601 CB TYR A 43 1.306 8.326 0.090 1.00 0.00 C ATOM 602 CG TYR A 43 0.850 8.648 -1.315 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.494 9.944 -1.671 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.773 7.658 -2.287 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.077 10.244 -2.953 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.358 7.949 -3.572 1.00 0.00 C ATOM 607 CZ TYR A 43 0.010 9.243 -3.900 1.00 0.00 C ATOM 608 OH TYR A 43 -0.405 9.536 -5.178 1.00 0.00 O ATOM 0 H TYR A 43 -0.795 6.726 -0.089 1.00 0.00 H new ATOM 0 HA TYR A 43 0.561 8.179 2.100 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.976 9.114 0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.883 7.402 0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.544 10.730 -0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.042 6.643 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.195 11.256 -3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.306 7.168 -4.316 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.394 8.720 -5.721 1.00 0.00 H new ATOM 618 N ALA A 44 -0.290 10.560 1.148 1.00 0.00 N ATOM 619 CA ALA A 44 -1.103 11.765 1.043 1.00 0.00 C ATOM 620 C ALA A 44 -0.351 12.871 0.310 1.00 0.00 C ATOM 621 O ALA A 44 0.721 13.309 0.728 1.00 0.00 O ATOM 622 CB ALA A 44 -1.526 12.239 2.425 1.00 0.00 C ATOM 0 H ALA A 44 0.688 10.730 1.383 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.995 11.523 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.133 13.140 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.109 11.459 2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.640 12.459 3.021 1.00 0.00 H new ATOM 628 N PRO A 45 -0.924 13.335 -0.811 1.00 0.00 N ATOM 629 CA PRO A 45 -0.325 14.396 -1.626 1.00 0.00 C ATOM 630 C PRO A 45 -0.362 15.752 -0.930 1.00 0.00 C ATOM 631 O PRO A 45 0.003 16.771 -1.517 1.00 0.00 O ATOM 632 CB PRO A 45 -1.200 14.415 -2.882 1.00 0.00 C ATOM 633 CG PRO A 45 -2.513 13.870 -2.437 1.00 0.00 C ATOM 634 CD PRO A 45 -2.201 12.859 -1.369 1.00 0.00 C ATOM 0 HA PRO A 45 0.730 14.209 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.304 15.426 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.767 13.806 -3.675 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.153 14.662 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.046 13.408 -3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.982 12.822 -0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.110 11.854 -1.781 1.00 0.00 H new ATOM 642 N TRP A 46 -0.803 15.757 0.323 1.00 0.00 N ATOM 643 CA TRP A 46 -0.886 16.989 1.099 1.00 0.00 C ATOM 644 C TRP A 46 -0.007 16.910 2.341 1.00 0.00 C ATOM 645 O TRP A 46 0.261 17.923 2.989 1.00 0.00 O ATOM 646 CB TRP A 46 -2.336 17.265 1.501 1.00 0.00 C ATOM 647 CG TRP A 46 -2.979 16.122 2.226 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.955 15.294 1.749 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.693 15.683 3.559 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.293 14.367 2.705 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.533 14.583 3.824 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.809 16.110 4.553 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.512 13.909 5.042 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.790 15.440 5.761 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.637 14.348 5.997 1.00 0.00 C ATOM 0 H TRP A 46 -1.108 14.922 0.823 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.527 17.808 0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.367 18.151 2.134 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.917 17.491 0.607 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.396 15.359 0.765 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.996 13.636 2.599 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.152 16.949 4.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.164 13.068 5.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.111 15.763 6.537 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.598 13.844 6.951 1.00 0.00 H new ATOM 666 N CYS A 47 0.439 15.703 2.670 1.00 0.00 N ATOM 667 CA CYS A 47 1.289 15.492 3.837 1.00 0.00 C ATOM 668 C CYS A 47 2.761 15.665 3.475 1.00 0.00 C ATOM 669 O CYS A 47 3.100 15.938 2.325 1.00 0.00 O ATOM 670 CB CYS A 47 1.054 14.098 4.420 1.00 0.00 C ATOM 671 SG CYS A 47 1.051 14.045 6.227 1.00 0.00 S ATOM 0 H CYS A 47 0.226 14.855 2.145 1.00 0.00 H new ATOM 0 HA CYS A 47 1.028 16.239 4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.100 13.719 4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.827 13.425 4.049 1.00 0.00 H new ATOM 0 HG CYS A 47 1.590 12.932 6.629 1.00 0.00 H new ATOM 677 N GLY A 48 3.631 15.504 4.468 1.00 0.00 N ATOM 678 CA GLY A 48 5.056 15.648 4.235 1.00 0.00 C ATOM 679 C GLY A 48 5.773 14.313 4.191 1.00 0.00 C ATOM 680 O GLY A 48 6.302 13.918 3.151 1.00 0.00 O ATOM 0 H GLY A 48 3.374 15.277 5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.216 16.174 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.490 16.264 5.023 1.00 0.00 H new ATOM 684 N HIS A 49 5.793 13.615 5.322 1.00 0.00 N ATOM 685 CA HIS A 49 6.452 12.317 5.408 1.00 0.00 C ATOM 686 C HIS A 49 6.001 11.402 4.274 1.00 0.00 C ATOM 687 O HIS A 49 6.652 10.401 3.974 1.00 0.00 O ATOM 688 CB HIS A 49 6.157 11.660 6.757 1.00 0.00 C ATOM 689 CG HIS A 49 4.722 11.762 7.172 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.329 12.013 8.470 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.582 11.648 6.451 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.010 12.046 8.530 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.532 11.828 7.318 1.00 0.00 N ATOM 0 H HIS A 49 5.360 13.927 6.192 1.00 0.00 H new ATOM 0 HA HIS A 49 7.526 12.476 5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.439 10.608 6.709 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.781 12.123 7.521 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.959 12.152 9.260 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.511 11.452 5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.422 12.221 9.419 1.00 0.00 H new ATOM 702 N CYS A 50 4.883 11.752 3.648 1.00 0.00 N ATOM 703 CA CYS A 50 4.343 10.961 2.548 1.00 0.00 C ATOM 704 C CYS A 50 4.982 11.366 1.223 1.00 0.00 C ATOM 705 O CYS A 50 5.407 10.514 0.443 1.00 0.00 O ATOM 706 CB CYS A 50 2.825 11.129 2.468 1.00 0.00 C ATOM 707 SG CYS A 50 1.897 9.930 3.453 1.00 0.00 S ATOM 0 H CYS A 50 4.333 12.578 3.883 1.00 0.00 H new ATOM 0 HA CYS A 50 4.575 9.913 2.738 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.564 12.134 2.798 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.515 11.045 1.426 1.00 0.00 H new ATOM 0 HG CYS A 50 1.892 10.303 4.698 1.00 0.00 H new ATOM 713 N GLN A 51 5.044 12.670 0.976 1.00 0.00 N ATOM 714 CA GLN A 51 5.629 13.187 -0.256 1.00 0.00 C ATOM 715 C GLN A 51 7.118 12.862 -0.329 1.00 0.00 C ATOM 716 O GLN A 51 7.715 12.882 -1.406 1.00 0.00 O ATOM 717 CB GLN A 51 5.420 14.699 -0.350 1.00 0.00 C ATOM 718 CG GLN A 51 3.959 15.116 -0.286 1.00 0.00 C ATOM 719 CD GLN A 51 3.785 16.617 -0.172 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.752 17.375 -0.263 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.548 17.057 0.030 1.00 0.00 N ATOM 0 H GLN A 51 4.697 13.388 1.612 1.00 0.00 H new ATOM 0 HA GLN A 51 5.128 12.706 -1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.964 15.184 0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.852 15.060 -1.284 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.444 14.761 -1.179 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.484 14.633 0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.776 16.394 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.370 18.058 0.116 1.00 0.00 H new ATOM 730 N ARG A 52 7.711 12.564 0.822 1.00 0.00 N ATOM 731 CA ARG A 52 9.130 12.237 0.888 1.00 0.00 C ATOM 732 C ARG A 52 9.347 10.731 0.765 1.00 0.00 C ATOM 733 O ARG A 52 10.484 10.256 0.753 1.00 0.00 O ATOM 734 CB ARG A 52 9.732 12.745 2.199 1.00 0.00 C ATOM 735 CG ARG A 52 9.081 12.152 3.438 1.00 0.00 C ATOM 736 CD ARG A 52 9.780 10.874 3.877 1.00 0.00 C ATOM 737 NE ARG A 52 11.032 11.149 4.578 1.00 0.00 N ATOM 738 CZ ARG A 52 11.597 10.302 5.432 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.026 9.134 5.688 1.00 0.00 N ATOM 740 NH2 ARG A 52 12.737 10.624 6.030 1.00 0.00 N ATOM 0 H ARG A 52 7.231 12.542 1.722 1.00 0.00 H new ATOM 0 HA ARG A 52 9.630 12.728 0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.797 12.515 2.213 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.640 13.831 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.109 12.880 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.031 11.942 3.234 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.118 10.304 4.528 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.982 10.253 3.004 1.00 0.00 H new ATOM 0 HE ARG A 52 11.498 12.039 4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.150 8.883 5.229 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.462 8.486 6.344 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.180 11.522 5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.170 9.974 6.685 1.00 0.00 H new ATOM 754 N LEU A 53 8.251 9.986 0.676 1.00 0.00 N ATOM 755 CA LEU A 53 8.321 8.534 0.555 1.00 0.00 C ATOM 756 C LEU A 53 8.079 8.095 -0.886 1.00 0.00 C ATOM 757 O LEU A 53 8.034 6.901 -1.184 1.00 0.00 O ATOM 758 CB LEU A 53 7.295 7.876 1.479 1.00 0.00 C ATOM 759 CG LEU A 53 7.350 6.350 1.564 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.714 5.890 2.054 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.249 5.827 2.475 1.00 0.00 C ATOM 0 H LEU A 53 7.303 10.363 0.685 1.00 0.00 H new ATOM 0 HA LEU A 53 9.322 8.218 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.427 8.281 2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.298 8.166 1.147 1.00 0.00 H new ATOM 0 HG LEU A 53 7.191 5.944 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.733 4.801 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.484 6.233 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.904 6.306 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.303 4.739 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.376 6.242 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.278 6.125 2.080 1.00 0.00 H new ATOM 773 N THR A 54 7.926 9.069 -1.778 1.00 0.00 N ATOM 774 CA THR A 54 7.690 8.784 -3.188 1.00 0.00 C ATOM 775 C THR A 54 8.893 8.090 -3.817 1.00 0.00 C ATOM 776 O THR A 54 8.773 7.042 -4.452 1.00 0.00 O ATOM 777 CB THR A 54 7.383 10.070 -3.977 1.00 0.00 C ATOM 778 OG1 THR A 54 6.872 11.076 -3.095 1.00 0.00 O ATOM 779 CG2 THR A 54 6.374 9.799 -5.083 1.00 0.00 C ATOM 0 H THR A 54 7.961 10.062 -1.549 1.00 0.00 H new ATOM 0 HA THR A 54 6.825 8.122 -3.237 1.00 0.00 H new ATOM 0 HB THR A 54 8.310 10.421 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.617 11.587 -2.715 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.173 10.722 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.778 9.055 -5.769 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.447 9.426 -4.647 1.00 0.00 H new ATOM 787 N PRO A 55 10.081 8.685 -3.637 1.00 0.00 N ATOM 788 CA PRO A 55 11.329 8.140 -4.179 1.00 0.00 C ATOM 789 C PRO A 55 11.755 6.856 -3.475 1.00 0.00 C ATOM 790 O PRO A 55 12.429 6.010 -4.062 1.00 0.00 O ATOM 791 CB PRO A 55 12.346 9.255 -3.920 1.00 0.00 C ATOM 792 CG PRO A 55 11.794 10.007 -2.758 1.00 0.00 C ATOM 793 CD PRO A 55 10.298 9.936 -2.891 1.00 0.00 C ATOM 0 HA PRO A 55 11.232 7.869 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.332 8.848 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.458 9.899 -4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.123 9.567 -1.817 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.138 11.041 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.809 9.913 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.901 10.798 -3.427 1.00 0.00 H new ATOM 801 N GLU A 56 11.358 6.719 -2.214 1.00 0.00 N ATOM 802 CA GLU A 56 11.700 5.537 -1.430 1.00 0.00 C ATOM 803 C GLU A 56 10.776 4.371 -1.772 1.00 0.00 C ATOM 804 O GLU A 56 11.188 3.212 -1.747 1.00 0.00 O ATOM 805 CB GLU A 56 11.614 5.848 0.066 1.00 0.00 C ATOM 806 CG GLU A 56 12.655 6.848 0.540 1.00 0.00 C ATOM 807 CD GLU A 56 12.435 7.282 1.976 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.574 8.155 2.208 1.00 0.00 O ATOM 809 OE2 GLU A 56 13.126 6.747 2.869 1.00 0.00 O ATOM 0 H GLU A 56 10.800 7.411 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 56 12.723 5.252 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.621 6.236 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.730 4.922 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.647 6.406 0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.633 7.724 -0.108 1.00 0.00 H new ATOM 816 N TRP A 57 9.527 4.688 -2.091 1.00 0.00 N ATOM 817 CA TRP A 57 8.544 3.668 -2.438 1.00 0.00 C ATOM 818 C TRP A 57 8.739 3.190 -3.873 1.00 0.00 C ATOM 819 O TRP A 57 8.651 1.995 -4.157 1.00 0.00 O ATOM 820 CB TRP A 57 7.127 4.213 -2.256 1.00 0.00 C ATOM 821 CG TRP A 57 6.074 3.146 -2.269 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.979 3.084 -3.083 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.016 1.989 -1.427 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.244 1.959 -2.798 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.859 1.270 -1.786 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.829 1.491 -0.406 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.498 0.081 -1.159 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.469 0.310 0.216 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.312 -0.385 -0.163 1.00 0.00 C ATOM 0 H TRP A 57 9.170 5.643 -2.117 1.00 0.00 H new ATOM 0 HA TRP A 57 8.687 2.819 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.073 4.756 -1.312 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.917 4.931 -3.049 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.728 3.813 -3.840 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.380 1.682 -3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.723 2.019 -0.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.606 -0.455 -1.449 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.090 -0.084 1.007 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.058 -1.306 0.341 1.00 0.00 H new ATOM 840 N LYS A 58 9.003 4.130 -4.774 1.00 0.00 N ATOM 841 CA LYS A 58 9.212 3.805 -6.180 1.00 0.00 C ATOM 842 C LYS A 58 10.345 2.797 -6.343 1.00 0.00 C ATOM 843 O LYS A 58 10.201 1.793 -7.041 1.00 0.00 O ATOM 844 CB LYS A 58 9.524 5.074 -6.977 1.00 0.00 C ATOM 845 CG LYS A 58 8.286 5.801 -7.473 1.00 0.00 C ATOM 846 CD LYS A 58 8.642 7.125 -8.128 1.00 0.00 C ATOM 847 CE LYS A 58 7.443 8.058 -8.188 1.00 0.00 C ATOM 848 NZ LYS A 58 7.815 9.410 -8.689 1.00 0.00 N ATOM 0 H LYS A 58 9.077 5.124 -4.556 1.00 0.00 H new ATOM 0 HA LYS A 58 8.295 3.359 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.107 5.751 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.148 4.812 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.755 5.172 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.608 5.978 -6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.448 7.602 -7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.015 6.945 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.680 7.628 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.003 8.147 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.970 10.015 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.524 9.832 -8.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.212 9.328 -9.647 1.00 0.00 H new ATOM 862 N LYS A 59 11.472 3.071 -5.695 1.00 0.00 N ATOM 863 CA LYS A 59 12.630 2.188 -5.766 1.00 0.00 C ATOM 864 C LYS A 59 12.220 0.735 -5.545 1.00 0.00 C ATOM 865 O LYS A 59 12.455 -0.122 -6.397 1.00 0.00 O ATOM 866 CB LYS A 59 13.674 2.598 -4.725 1.00 0.00 C ATOM 867 CG LYS A 59 14.620 3.684 -5.208 1.00 0.00 C ATOM 868 CD LYS A 59 15.723 3.952 -4.198 1.00 0.00 C ATOM 869 CE LYS A 59 15.268 4.927 -3.122 1.00 0.00 C ATOM 870 NZ LYS A 59 16.393 5.342 -2.238 1.00 0.00 N ATOM 0 H LYS A 59 11.608 3.898 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 59 13.064 2.278 -6.762 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.163 2.946 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.256 1.721 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.061 3.387 -6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.060 4.602 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.029 3.014 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.597 4.355 -4.710 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.831 5.808 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.485 4.465 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.042 6.006 -1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.794 4.504 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.129 5.806 -2.808 1.00 0.00 H new ATOM 884 N ALA A 60 11.606 0.466 -4.398 1.00 0.00 N ATOM 885 CA ALA A 60 11.160 -0.882 -4.068 1.00 0.00 C ATOM 886 C ALA A 60 10.284 -1.457 -5.175 1.00 0.00 C ATOM 887 O ALA A 60 10.324 -2.656 -5.452 1.00 0.00 O ATOM 888 CB ALA A 60 10.409 -0.880 -2.745 1.00 0.00 C ATOM 0 H ALA A 60 11.406 1.164 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 60 12.041 -1.516 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.082 -1.893 -2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.066 -0.519 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.540 -0.226 -2.821 1.00 0.00 H new ATOM 894 N ALA A 61 9.493 -0.595 -5.805 1.00 0.00 N ATOM 895 CA ALA A 61 8.608 -1.018 -6.884 1.00 0.00 C ATOM 896 C ALA A 61 9.404 -1.440 -8.114 1.00 0.00 C ATOM 897 O ALA A 61 9.072 -2.425 -8.774 1.00 0.00 O ATOM 898 CB ALA A 61 7.637 0.098 -7.238 1.00 0.00 C ATOM 0 H ALA A 61 9.447 0.400 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 61 8.041 -1.882 -6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.982 -0.232 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.037 0.349 -6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.195 0.977 -7.560 1.00 0.00 H new ATOM 904 N THR A 62 10.457 -0.687 -8.418 1.00 0.00 N ATOM 905 CA THR A 62 11.299 -0.982 -9.571 1.00 0.00 C ATOM 906 C THR A 62 11.986 -2.334 -9.418 1.00 0.00 C ATOM 907 O THR A 62 12.136 -3.077 -10.388 1.00 0.00 O ATOM 908 CB THR A 62 12.371 0.105 -9.775 1.00 0.00 C ATOM 909 OG1 THR A 62 11.753 1.394 -9.855 1.00 0.00 O ATOM 910 CG2 THR A 62 13.174 -0.157 -11.040 1.00 0.00 C ATOM 0 H THR A 62 10.747 0.131 -7.882 1.00 0.00 H new ATOM 0 HA THR A 62 10.645 -1.006 -10.443 1.00 0.00 H new ATOM 0 HB THR A 62 13.049 0.080 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.442 2.080 -9.983 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.925 0.624 -11.163 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.667 -1.126 -10.964 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.506 -0.157 -11.901 1.00 0.00 H new ATOM 918 N ALA A 63 12.400 -2.648 -8.195 1.00 0.00 N ATOM 919 CA ALA A 63 13.068 -3.913 -7.916 1.00 0.00 C ATOM 920 C ALA A 63 12.060 -5.050 -7.786 1.00 0.00 C ATOM 921 O ALA A 63 12.240 -6.122 -8.365 1.00 0.00 O ATOM 922 CB ALA A 63 13.905 -3.800 -6.650 1.00 0.00 C ATOM 0 H ALA A 63 12.284 -2.044 -7.382 1.00 0.00 H new ATOM 0 HA ALA A 63 13.726 -4.140 -8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.398 -4.752 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.657 -3.022 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.260 -3.545 -5.809 1.00 0.00 H new ATOM 928 N LEU A 64 10.999 -4.809 -7.023 1.00 0.00 N ATOM 929 CA LEU A 64 9.962 -5.813 -6.816 1.00 0.00 C ATOM 930 C LEU A 64 8.913 -5.748 -7.922 1.00 0.00 C ATOM 931 O LEU A 64 7.874 -6.404 -7.847 1.00 0.00 O ATOM 932 CB LEU A 64 9.296 -5.614 -5.454 1.00 0.00 C ATOM 933 CG LEU A 64 10.238 -5.366 -4.276 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.479 -4.768 -3.101 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.929 -6.658 -3.864 1.00 0.00 C ATOM 0 H LEU A 64 10.835 -3.927 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 64 10.432 -6.796 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.609 -4.771 -5.528 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.695 -6.496 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 64 11.000 -4.653 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.166 -4.599 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.032 -3.820 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.694 -5.456 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.596 -6.462 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.180 -7.393 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.507 -7.045 -4.703 1.00 0.00 H new ATOM 947 N LYS A 65 9.193 -4.955 -8.950 1.00 0.00 N ATOM 948 CA LYS A 65 8.277 -4.806 -10.074 1.00 0.00 C ATOM 949 C LYS A 65 7.781 -6.165 -10.555 1.00 0.00 C ATOM 950 O LYS A 65 6.580 -6.370 -10.738 1.00 0.00 O ATOM 951 CB LYS A 65 8.964 -4.065 -11.224 1.00 0.00 C ATOM 952 CG LYS A 65 8.356 -4.358 -12.585 1.00 0.00 C ATOM 953 CD LYS A 65 8.965 -3.482 -13.668 1.00 0.00 C ATOM 954 CE LYS A 65 8.190 -2.184 -13.835 1.00 0.00 C ATOM 955 NZ LYS A 65 8.463 -1.541 -15.150 1.00 0.00 N ATOM 0 H LYS A 65 10.048 -4.405 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 65 7.419 -4.224 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.913 -2.993 -11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.020 -4.336 -11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.510 -5.408 -12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.279 -4.195 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.002 -3.258 -13.417 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.976 -4.025 -14.613 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.122 -2.384 -13.743 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.456 -1.496 -13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.916 -0.659 -15.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.478 -1.327 -15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.186 -2.187 -15.916 1.00 0.00 H new ATOM 969 N ASP A 66 8.711 -7.092 -10.758 1.00 0.00 N ATOM 970 CA ASP A 66 8.368 -8.433 -11.215 1.00 0.00 C ATOM 971 C ASP A 66 8.184 -9.380 -10.034 1.00 0.00 C ATOM 972 O ASP A 66 7.518 -10.409 -10.147 1.00 0.00 O ATOM 973 CB ASP A 66 9.452 -8.969 -12.151 1.00 0.00 C ATOM 974 CG ASP A 66 9.264 -8.506 -13.582 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.808 -7.360 -13.779 1.00 0.00 O ATOM 976 OD2 ASP A 66 9.573 -9.288 -14.504 1.00 0.00 O ATOM 0 H ASP A 66 9.709 -6.939 -10.613 1.00 0.00 H new ATOM 0 HA ASP A 66 7.426 -8.374 -11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.429 -8.645 -11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.447 -10.059 -12.121 1.00 0.00 H new ATOM 981 N VAL A 67 8.780 -9.025 -8.899 1.00 0.00 N ATOM 982 CA VAL A 67 8.683 -9.843 -7.696 1.00 0.00 C ATOM 983 C VAL A 67 7.376 -9.578 -6.956 1.00 0.00 C ATOM 984 O VAL A 67 6.498 -10.439 -6.897 1.00 0.00 O ATOM 985 CB VAL A 67 9.863 -9.580 -6.742 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.099 -10.783 -5.841 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.119 -9.240 -7.530 1.00 0.00 C ATOM 0 H VAL A 67 9.335 -8.176 -8.788 1.00 0.00 H new ATOM 0 HA VAL A 67 8.711 -10.884 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 67 9.615 -8.726 -6.111 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.936 -10.579 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.203 -10.977 -5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.326 -11.656 -6.452 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.943 -9.057 -6.840 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.373 -10.072 -8.186 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.942 -8.347 -8.129 1.00 0.00 H new ATOM 997 N VAL A 68 7.254 -8.381 -6.393 1.00 0.00 N ATOM 998 CA VAL A 68 6.054 -8.001 -5.657 1.00 0.00 C ATOM 999 C VAL A 68 5.407 -6.760 -6.263 1.00 0.00 C ATOM 1000 O VAL A 68 6.056 -5.728 -6.433 1.00 0.00 O ATOM 1001 CB VAL A 68 6.367 -7.730 -4.173 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.130 -7.220 -3.451 1.00 0.00 C ATOM 1003 CG2 VAL A 68 6.906 -8.986 -3.505 1.00 0.00 C ATOM 0 H VAL A 68 7.972 -7.657 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 68 5.361 -8.840 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 68 7.135 -6.958 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.370 -7.034 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.793 -6.293 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.338 -7.966 -3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.122 -8.777 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.163 -9.781 -3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.820 -9.302 -4.008 1.00 0.00 H new ATOM 1013 N LYS A 69 4.124 -6.868 -6.589 1.00 0.00 N ATOM 1014 CA LYS A 69 3.386 -5.755 -7.175 1.00 0.00 C ATOM 1015 C LYS A 69 3.256 -4.605 -6.181 1.00 0.00 C ATOM 1016 O LYS A 69 2.393 -4.625 -5.304 1.00 0.00 O ATOM 1017 CB LYS A 69 1.997 -6.216 -7.622 1.00 0.00 C ATOM 1018 CG LYS A 69 2.014 -7.060 -8.886 1.00 0.00 C ATOM 1019 CD LYS A 69 1.879 -6.200 -10.132 1.00 0.00 C ATOM 1020 CE LYS A 69 2.223 -6.984 -11.389 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.289 -8.123 -11.606 1.00 0.00 N ATOM 0 H LYS A 69 3.573 -7.716 -6.457 1.00 0.00 H new ATOM 0 HA LYS A 69 3.941 -5.401 -8.043 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.538 -6.790 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.369 -5.341 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.943 -7.628 -8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.200 -7.784 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.860 -5.821 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.536 -5.334 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.191 -6.319 -12.252 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.243 -7.360 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.504 -8.580 -12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.399 -8.814 -10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.310 -7.772 -11.618 1.00 0.00 H new ATOM 1035 N VAL A 70 4.118 -3.604 -6.326 1.00 0.00 N ATOM 1036 CA VAL A 70 4.097 -2.444 -5.443 1.00 0.00 C ATOM 1037 C VAL A 70 3.257 -1.318 -6.034 1.00 0.00 C ATOM 1038 O VAL A 70 3.709 -0.590 -6.918 1.00 0.00 O ATOM 1039 CB VAL A 70 5.520 -1.920 -5.171 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.483 -0.757 -4.191 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.408 -3.039 -4.649 1.00 0.00 C ATOM 0 H VAL A 70 4.839 -3.573 -7.046 1.00 0.00 H new ATOM 0 HA VAL A 70 3.652 -2.770 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 70 5.941 -1.560 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.497 -0.400 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.883 0.051 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.043 -1.088 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.410 -2.652 -4.462 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.992 -3.431 -3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.460 -3.837 -5.389 1.00 0.00 H new ATOM 1051 N GLY A 71 2.031 -1.179 -5.540 1.00 0.00 N ATOM 1052 CA GLY A 71 1.146 -0.138 -6.031 1.00 0.00 C ATOM 1053 C GLY A 71 1.214 1.124 -5.194 1.00 0.00 C ATOM 1054 O GLY A 71 2.219 1.385 -4.533 1.00 0.00 O ATOM 0 H GLY A 71 1.634 -1.769 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.407 0.099 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.122 -0.510 -6.039 1.00 0.00 H new ATOM 1058 N ALA A 72 0.142 1.909 -5.221 1.00 0.00 N ATOM 1059 CA ALA A 72 0.084 3.149 -4.459 1.00 0.00 C ATOM 1060 C ALA A 72 -1.321 3.743 -4.483 1.00 0.00 C ATOM 1061 O ALA A 72 -1.866 4.031 -5.548 1.00 0.00 O ATOM 1062 CB ALA A 72 1.092 4.151 -5.003 1.00 0.00 C ATOM 0 H ALA A 72 -0.698 1.707 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 72 0.337 2.922 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.037 5.073 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.096 3.734 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.865 4.365 -6.048 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.902 3.924 -3.301 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.243 4.483 -3.186 1.00 0.00 C ATOM 1070 C VAL A 73 -3.228 5.791 -2.402 1.00 0.00 C ATOM 1071 O VAL A 73 -2.761 5.839 -1.265 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.206 3.497 -2.499 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.355 4.244 -1.839 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.728 2.478 -3.501 1.00 0.00 C ATOM 0 H VAL A 73 -1.464 3.691 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.594 4.674 -4.200 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.658 2.963 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.025 3.531 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.960 4.931 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.905 4.806 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.407 1.789 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.260 2.994 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.891 1.921 -3.922 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.743 6.850 -3.018 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.789 8.159 -2.377 1.00 0.00 C ATOM 1086 C ASN A 74 -4.842 8.189 -1.274 1.00 0.00 C ATOM 1087 O ASN A 74 -6.002 8.521 -1.518 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.087 9.246 -3.412 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.254 10.615 -2.780 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.990 10.799 -1.592 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.694 11.583 -3.575 1.00 0.00 N ATOM 0 H ASN A 74 -4.134 6.827 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.814 8.350 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.278 9.282 -4.141 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.995 8.987 -3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.826 12.525 -3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.900 11.385 -4.554 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.430 7.839 -0.060 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.337 7.827 1.081 1.00 0.00 C ATOM 1100 C ALA A 75 -6.233 9.061 1.082 1.00 0.00 C ATOM 1101 O ALA A 75 -7.416 8.981 1.415 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.549 7.744 2.380 1.00 0.00 C ATOM 0 H ALA A 75 -3.474 7.560 0.159 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.975 6.947 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.239 7.736 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.955 6.830 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.888 8.607 2.460 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.663 10.201 0.708 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.411 11.452 0.666 1.00 0.00 C ATOM 1110 C ASP A 76 -7.556 11.367 -0.338 1.00 0.00 C ATOM 1111 O ASP A 76 -8.686 11.755 -0.041 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.483 12.614 0.303 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.199 13.950 0.310 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.733 14.331 1.372 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.227 14.614 -0.748 1.00 0.00 O ATOM 0 H ASP A 76 -4.685 10.285 0.430 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.832 11.629 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.653 12.646 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.056 12.439 -0.684 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.257 10.857 -1.528 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.260 10.720 -2.576 1.00 0.00 C ATOM 1122 C LYS A 77 -9.108 9.470 -2.358 1.00 0.00 C ATOM 1123 O LYS A 77 -10.328 9.553 -2.214 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.588 10.659 -3.950 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.526 10.240 -5.068 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.765 9.648 -6.242 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.254 10.731 -7.180 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.362 11.374 -7.939 1.00 0.00 N ATOM 0 H LYS A 77 -6.327 10.531 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.912 11.592 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.171 11.638 -4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.753 9.959 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.240 9.508 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.101 11.103 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.925 9.059 -5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.415 8.967 -6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.721 11.488 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.538 10.298 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.974 11.872 -8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.033 10.646 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.855 12.054 -7.325 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.454 8.314 -2.333 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.148 7.047 -2.130 1.00 0.00 C ATOM 1144 C HIS A 78 -9.418 6.807 -0.647 1.00 0.00 C ATOM 1145 O HIS A 78 -9.267 5.690 -0.153 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.326 5.893 -2.704 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.929 6.093 -4.134 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -8.783 6.609 -5.087 1.00 0.00 N ATOM 1149 CD2 HIS A 78 -6.761 5.846 -4.772 1.00 0.00 C ATOM 1150 CE1 HIS A 78 -8.157 6.668 -6.249 1.00 0.00 C ATOM 1151 NE2 HIS A 78 -6.929 6.212 -6.085 1.00 0.00 N ATOM 0 H HIS A 78 -7.444 8.228 -2.451 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.104 7.097 -2.652 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.427 5.763 -2.101 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.902 4.971 -2.621 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.864 5.437 -4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.578 7.028 -7.176 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.220 6.143 -6.815 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.816 7.863 0.055 1.00 0.00 N ATOM 1161 CA GLN A 79 -10.104 7.766 1.481 1.00 0.00 C ATOM 1162 C GLN A 79 -10.919 6.514 1.788 1.00 0.00 C ATOM 1163 O GLN A 79 -10.787 5.922 2.859 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.859 9.009 1.956 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.948 10.128 2.433 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.718 11.328 2.948 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.835 11.600 2.506 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -10.125 12.053 3.889 1.00 0.00 N ATOM 0 H GLN A 79 -9.946 8.794 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.155 7.700 2.014 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.480 9.380 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.531 8.728 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.299 9.751 3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.302 10.440 1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.199 11.791 4.226 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.596 12.872 4.275 1.00 0.00 H new ATOM 1177 N SER A 80 -11.762 6.116 0.840 1.00 0.00 N ATOM 1178 CA SER A 80 -12.602 4.936 1.011 1.00 0.00 C ATOM 1179 C SER A 80 -11.751 3.675 1.130 1.00 0.00 C ATOM 1180 O SER A 80 -11.996 2.825 1.986 1.00 0.00 O ATOM 1181 CB SER A 80 -13.573 4.801 -0.164 1.00 0.00 C ATOM 1182 OG SER A 80 -14.682 5.669 -0.012 1.00 0.00 O ATOM 0 H SER A 80 -11.881 6.593 -0.054 1.00 0.00 H new ATOM 0 HA SER A 80 -13.172 5.056 1.932 1.00 0.00 H new ATOM 0 HB2 SER A 80 -13.055 5.028 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.921 3.771 -0.236 1.00 0.00 H new ATOM 0 HG SER A 80 -15.286 5.565 -0.776 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.750 3.562 0.265 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.860 2.406 0.271 1.00 0.00 C ATOM 1190 C LEU A 81 -9.096 2.314 1.588 1.00 0.00 C ATOM 1191 O LEU A 81 -9.154 1.299 2.282 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.877 2.487 -0.898 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.465 2.245 -2.288 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.415 2.484 -3.362 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.024 0.833 -2.392 1.00 0.00 C ATOM 0 H LEU A 81 -10.534 4.257 -0.450 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.470 1.509 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.413 3.473 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.083 1.760 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.281 2.951 -2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.853 2.307 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.062 3.513 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.577 1.803 -3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.439 0.678 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.226 0.112 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.808 0.696 -1.647 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.381 3.382 1.927 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.617 3.402 3.161 1.00 0.00 C ATOM 1209 C GLY A 82 -8.467 3.081 4.374 1.00 0.00 C ATOM 1210 O GLY A 82 -8.229 2.089 5.062 1.00 0.00 O ATOM 0 H GLY A 82 -8.317 4.234 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.802 2.682 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.164 4.385 3.288 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.461 3.923 4.639 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.333 3.707 5.779 1.00 0.00 C ATOM 1216 C GLY A 83 -10.962 2.327 5.774 1.00 0.00 C ATOM 1217 O GLY A 83 -11.130 1.712 6.827 1.00 0.00 O ATOM 0 H GLY A 83 -9.678 4.751 4.084 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.763 3.840 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.120 4.462 5.779 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.312 1.842 4.587 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.929 0.528 4.452 1.00 0.00 C ATOM 1223 C GLN A 84 -11.056 -0.551 5.085 1.00 0.00 C ATOM 1224 O GLN A 84 -11.515 -1.665 5.339 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.170 0.204 2.976 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.664 -1.213 2.737 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.081 -1.452 1.299 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.269 -1.563 0.995 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.103 -1.530 0.405 1.00 0.00 N ATOM 0 H GLN A 84 -11.179 2.339 3.706 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.886 0.548 4.974 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.899 0.907 2.573 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.243 0.355 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.877 -1.918 3.005 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.510 -1.414 3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.132 -1.432 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.322 -1.688 -0.579 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.796 -0.213 5.336 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.858 -1.154 5.937 1.00 0.00 C ATOM 1240 C TYR A 85 -8.519 -0.746 7.368 1.00 0.00 C ATOM 1241 O TYR A 85 -8.352 -1.594 8.244 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.579 -1.235 5.102 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.722 -2.083 3.858 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.585 -1.711 2.835 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.994 -3.257 3.707 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.719 -2.483 1.697 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.120 -4.035 2.572 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.984 -3.644 1.570 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.114 -4.416 0.438 1.00 0.00 O ATOM 0 H TYR A 85 -9.401 0.705 5.133 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.332 -2.135 5.960 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.279 -0.228 4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.777 -1.641 5.719 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.161 -0.803 2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.318 -3.567 4.490 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.395 -2.180 0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.546 -4.944 2.470 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.644 -3.986 -0.307 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.420 0.560 7.596 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.102 1.059 8.922 1.00 0.00 C ATOM 1261 C GLY A 86 -6.984 2.082 8.903 1.00 0.00 C ATOM 1262 O GLY A 86 -6.275 2.256 9.894 1.00 0.00 O ATOM 0 H GLY A 86 -8.554 1.281 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.993 1.507 9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.816 0.224 9.562 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.823 2.761 7.771 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.783 3.772 7.627 1.00 0.00 C ATOM 1268 C VAL A 87 -6.204 5.089 8.268 1.00 0.00 C ATOM 1269 O VAL A 87 -7.173 5.716 7.842 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.443 4.020 6.145 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.358 5.078 6.016 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.018 2.724 5.472 1.00 0.00 C ATOM 0 H VAL A 87 -7.400 2.629 6.940 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.898 3.391 8.136 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.337 4.388 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.131 5.240 4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.705 6.011 6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.459 4.742 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.782 2.918 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.137 2.325 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.830 1.999 5.532 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.468 5.503 9.295 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.766 6.747 9.995 1.00 0.00 C ATOM 1284 C GLN A 88 -4.565 7.686 9.971 1.00 0.00 C ATOM 1285 O GLN A 88 -4.719 8.907 9.994 1.00 0.00 O ATOM 1286 CB GLN A 88 -6.173 6.457 11.441 1.00 0.00 C ATOM 1287 CG GLN A 88 -5.014 6.027 12.325 1.00 0.00 C ATOM 1288 CD GLN A 88 -5.416 5.869 13.778 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -5.111 6.720 14.615 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -6.104 4.777 14.087 1.00 0.00 N ATOM 0 H GLN A 88 -4.662 4.996 9.660 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.595 7.234 9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.632 7.350 11.866 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.932 5.675 11.446 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.613 5.082 11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.213 6.763 12.251 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.335 4.098 13.362 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -6.402 4.617 15.049 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.369 7.109 9.925 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.159 7.909 9.899 1.00 0.00 C ATOM 1301 C GLY A 89 -1.183 7.452 8.833 1.00 0.00 C ATOM 1302 O GLY A 89 -0.689 6.325 8.876 1.00 0.00 O ATOM 0 H GLY A 89 -3.216 6.101 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.421 8.952 9.724 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.675 7.861 10.874 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.906 8.326 7.871 1.00 0.00 N ATOM 1307 CA PHE A 90 0.015 8.005 6.787 1.00 0.00 C ATOM 1308 C PHE A 90 1.407 8.559 7.075 1.00 0.00 C ATOM 1309 O PHE A 90 1.589 9.454 7.900 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.507 8.567 5.463 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.973 8.890 5.486 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.871 8.052 6.127 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.454 10.032 4.866 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.221 8.348 6.148 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.803 10.333 4.884 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.687 9.490 5.527 1.00 0.00 C ATOM 0 H PHE A 90 -1.307 9.263 7.820 1.00 0.00 H new ATOM 0 HA PHE A 90 0.084 6.920 6.711 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.052 9.469 5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.315 7.845 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.512 7.158 6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.766 10.695 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.911 7.686 6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.165 11.226 4.396 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.741 9.723 5.544 1.00 0.00 H new ATOM 1326 N PRO A 91 2.416 8.014 6.377 1.00 0.00 N ATOM 1327 CA PRO A 91 2.212 6.948 5.392 1.00 0.00 C ATOM 1328 C PRO A 91 1.817 5.626 6.042 1.00 0.00 C ATOM 1329 O PRO A 91 2.222 5.330 7.167 1.00 0.00 O ATOM 1330 CB PRO A 91 3.579 6.824 4.716 1.00 0.00 C ATOM 1331 CG PRO A 91 4.550 7.322 5.730 1.00 0.00 C ATOM 1332 CD PRO A 91 3.833 8.397 6.497 1.00 0.00 C ATOM 0 HA PRO A 91 1.400 7.179 4.703 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.791 5.791 4.439 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.623 7.415 3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.870 6.517 6.392 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.446 7.716 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.154 8.430 7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.020 9.384 6.075 1.00 0.00 H new ATOM 1340 N THR A 92 1.024 4.834 5.328 1.00 0.00 N ATOM 1341 CA THR A 92 0.575 3.544 5.835 1.00 0.00 C ATOM 1342 C THR A 92 0.764 2.447 4.794 1.00 0.00 C ATOM 1343 O THR A 92 -0.002 2.351 3.834 1.00 0.00 O ATOM 1344 CB THR A 92 -0.907 3.590 6.252 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.064 4.409 7.416 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.433 2.191 6.537 1.00 0.00 C ATOM 0 H THR A 92 0.679 5.064 4.396 1.00 0.00 H new ATOM 0 HA THR A 92 1.185 3.319 6.710 1.00 0.00 H new ATOM 0 HB THR A 92 -1.479 4.016 5.428 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.269 4.971 7.530 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.481 2.249 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.340 1.578 5.641 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.855 1.743 7.345 1.00 0.00 H new ATOM 1354 N ILE A 93 1.787 1.622 4.989 1.00 0.00 N ATOM 1355 CA ILE A 93 2.074 0.530 4.067 1.00 0.00 C ATOM 1356 C ILE A 93 1.361 -0.749 4.490 1.00 0.00 C ATOM 1357 O ILE A 93 1.301 -1.077 5.675 1.00 0.00 O ATOM 1358 CB ILE A 93 3.587 0.255 3.974 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.315 1.475 3.406 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.850 -0.973 3.116 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.743 1.605 3.890 1.00 0.00 C ATOM 0 H ILE A 93 2.431 1.689 5.777 1.00 0.00 H new ATOM 0 HA ILE A 93 1.708 0.839 3.088 1.00 0.00 H new ATOM 0 HB ILE A 93 3.969 0.062 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.313 1.416 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.764 2.376 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.923 -1.154 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.358 -1.839 3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.457 -0.807 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.198 2.491 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.752 1.696 4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.309 0.721 3.595 1.00 0.00 H new ATOM 1373 N LYS A 94 0.822 -1.470 3.513 1.00 0.00 N ATOM 1374 CA LYS A 94 0.114 -2.717 3.781 1.00 0.00 C ATOM 1375 C LYS A 94 0.576 -3.819 2.833 1.00 0.00 C ATOM 1376 O LYS A 94 0.733 -3.593 1.633 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.396 -2.510 3.644 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.027 -1.824 4.843 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.335 -2.813 5.954 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.245 -2.203 7.008 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.328 -3.052 8.229 1.00 0.00 N ATOM 0 H LYS A 94 0.862 -1.212 2.527 1.00 0.00 H new ATOM 0 HA LYS A 94 0.341 -3.023 4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.593 -1.917 2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.875 -3.478 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.354 -1.053 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.945 -1.324 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.809 -3.699 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.405 -3.139 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.875 -1.214 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.243 -2.068 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.239 -2.889 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.252 -4.054 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.551 -2.807 8.876 1.00 0.00 H new ATOM 1395 N ILE A 95 0.789 -5.011 3.380 1.00 0.00 N ATOM 1396 CA ILE A 95 1.230 -6.149 2.581 1.00 0.00 C ATOM 1397 C ILE A 95 0.064 -7.078 2.259 1.00 0.00 C ATOM 1398 O ILE A 95 -0.748 -7.397 3.127 1.00 0.00 O ATOM 1399 CB ILE A 95 2.327 -6.952 3.304 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.583 -6.096 3.481 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.650 -8.222 2.530 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.469 -6.552 4.620 1.00 0.00 C ATOM 0 H ILE A 95 0.664 -5.214 4.372 1.00 0.00 H new ATOM 0 HA ILE A 95 1.638 -5.746 1.654 1.00 0.00 H new ATOM 0 HB ILE A 95 1.960 -7.234 4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.158 -6.113 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.287 -5.061 3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.427 -8.779 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.754 -8.837 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.001 -7.960 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.340 -5.900 4.687 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.911 -6.509 5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.795 -7.576 4.439 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.010 -7.511 1.004 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.076 -8.405 0.566 1.00 0.00 C ATOM 1416 C PHE A 96 -0.509 -9.749 0.121 1.00 0.00 C ATOM 1417 O PHE A 96 0.319 -9.817 -0.787 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.866 -7.768 -0.579 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.833 -6.712 -0.124 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.383 -5.455 0.248 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.192 -6.976 -0.069 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.271 -4.481 0.666 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.084 -6.006 0.348 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.623 -4.758 0.717 1.00 0.00 C ATOM 0 H PHE A 96 0.655 -7.257 0.273 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.745 -8.574 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.168 -7.328 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.414 -8.547 -1.110 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.327 -5.234 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.559 -7.951 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.908 -3.505 0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.141 -6.224 0.385 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.319 -4.000 1.045 1.00 0.00 H new ATOM 1434 N GLY A 97 -0.961 -10.819 0.768 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.488 -12.148 0.426 1.00 0.00 C ATOM 1436 C GLY A 97 -1.509 -13.225 0.735 1.00 0.00 C ATOM 1437 O GLY A 97 -2.547 -13.311 0.080 1.00 0.00 O ATOM 0 H GLY A 97 -1.646 -10.789 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.241 -12.180 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.431 -12.355 0.974 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.214 -14.048 1.736 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.114 -15.124 2.131 1.00 0.00 C ATOM 1443 C ALA A 98 -3.571 -14.726 1.920 1.00 0.00 C ATOM 1444 O ALA A 98 -4.256 -15.275 1.059 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.875 -15.506 3.584 1.00 0.00 C ATOM 0 H ALA A 98 -0.358 -13.990 2.288 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.905 -15.988 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.554 -16.311 3.865 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.845 -15.841 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.054 -14.641 4.222 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.038 -13.766 2.713 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.415 -13.295 2.614 1.00 0.00 C ATOM 1453 C ASN A 99 -5.471 -11.908 1.982 1.00 0.00 C ATOM 1454 O ASN A 99 -4.998 -10.930 2.562 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.066 -13.265 3.998 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.569 -13.071 3.925 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.215 -13.494 2.967 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.131 -12.427 4.941 1.00 0.00 N ATOM 0 H ASN A 99 -3.483 -13.300 3.431 1.00 0.00 H new ATOM 0 HA ASN A 99 -5.965 -13.987 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.847 -14.197 4.520 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.626 -12.459 4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.138 -12.265 4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.556 -12.094 5.715 1.00 0.00 H new ATOM 1465 N LYS A 100 -6.053 -11.829 0.790 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.173 -10.562 0.079 1.00 0.00 C ATOM 1467 C LYS A 100 -7.245 -9.682 0.715 1.00 0.00 C ATOM 1468 O LYS A 100 -7.339 -8.491 0.418 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.509 -10.810 -1.393 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.295 -11.130 -2.248 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.229 -10.054 -2.129 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.211 -10.151 -3.255 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.166 -11.173 -2.971 1.00 0.00 N ATOM 0 H LYS A 100 -6.449 -12.628 0.296 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.216 -10.044 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.219 -11.635 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.006 -9.928 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.879 -12.091 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.599 -11.229 -3.290 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.699 -9.071 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.721 -10.148 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.721 -10.402 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.739 -9.180 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.394 -11.082 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.790 -11.028 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.582 -12.124 -3.040 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.049 -10.275 1.591 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.113 -9.544 2.269 1.00 0.00 C ATOM 1489 C ASN A 101 -8.583 -8.846 3.518 1.00 0.00 C ATOM 1490 O ASN A 101 -9.106 -7.812 3.934 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.253 -10.492 2.645 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.282 -10.627 1.540 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.380 -10.077 1.629 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -10.931 -11.361 0.491 1.00 0.00 N ATOM 0 H ASN A 101 -7.984 -11.260 1.848 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.492 -8.786 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.843 -11.475 2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.741 -10.128 3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.582 -11.487 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.010 -11.798 0.460 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.542 -9.418 4.112 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.938 -8.852 5.312 1.00 0.00 C ATOM 1503 C LYS A 102 -5.417 -8.847 5.206 1.00 0.00 C ATOM 1504 O LYS A 102 -4.746 -9.835 5.506 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.371 -9.645 6.548 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.841 -10.027 6.541 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.175 -10.980 7.677 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.273 -11.955 7.282 1.00 0.00 C ATOM 1509 NZ LYS A 102 -9.718 -13.246 6.791 1.00 0.00 N ATOM 0 H LYS A 102 -7.098 -10.275 3.781 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.281 -7.822 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.769 -10.551 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.162 -9.054 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.452 -9.128 6.627 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.092 -10.493 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.281 -11.534 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.490 -10.410 8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.920 -12.140 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.894 -11.508 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -9.871 -13.322 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.699 -13.285 6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.196 -14.035 7.271 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.857 -7.708 4.770 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.408 -7.547 4.617 1.00 0.00 C ATOM 1525 C PRO A 103 -2.684 -7.505 5.958 1.00 0.00 C ATOM 1526 O PRO A 103 -3.315 -7.512 7.014 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.276 -6.203 3.895 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.513 -5.456 4.255 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.595 -6.491 4.395 1.00 0.00 C ATOM 0 HA PRO A 103 -2.959 -8.382 4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.383 -5.667 4.216 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.196 -6.339 2.817 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.379 -4.903 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.767 -4.727 3.485 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.322 -6.211 5.157 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.145 -6.626 3.464 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.356 -7.461 5.908 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.548 -7.418 7.120 1.00 0.00 C ATOM 1539 C GLU A 104 0.031 -6.023 7.339 1.00 0.00 C ATOM 1540 O GLU A 104 0.283 -5.287 6.385 1.00 0.00 O ATOM 1541 CB GLU A 104 0.584 -8.445 7.042 1.00 0.00 C ATOM 1542 CG GLU A 104 0.133 -9.810 6.551 1.00 0.00 C ATOM 1543 CD GLU A 104 1.290 -10.771 6.356 1.00 0.00 C ATOM 1544 OE1 GLU A 104 2.044 -10.998 7.325 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.442 -11.296 5.232 1.00 0.00 O ATOM 0 H GLU A 104 -0.818 -7.454 5.041 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.193 -7.662 7.964 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.361 -8.067 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.034 -8.553 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.571 -10.235 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.402 -9.695 5.608 1.00 0.00 H new ATOM 1552 N ASP A 105 0.239 -5.666 8.602 1.00 0.00 N ATOM 1553 CA ASP A 105 0.788 -4.360 8.948 1.00 0.00 C ATOM 1554 C ASP A 105 2.271 -4.286 8.599 1.00 0.00 C ATOM 1555 O ASP A 105 3.102 -4.936 9.234 1.00 0.00 O ATOM 1556 CB ASP A 105 0.586 -4.076 10.437 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.838 -4.335 10.888 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.148 -5.493 11.239 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.643 -3.380 10.888 1.00 0.00 O ATOM 0 H ASP A 105 0.036 -6.263 9.403 1.00 0.00 H new ATOM 0 HA ASP A 105 0.258 -3.604 8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.267 -4.698 11.018 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.847 -3.038 10.645 1.00 0.00 H new ATOM 1564 N TYR A 106 2.596 -3.489 7.587 1.00 0.00 N ATOM 1565 CA TYR A 106 3.979 -3.332 7.152 1.00 0.00 C ATOM 1566 C TYR A 106 4.803 -2.602 8.208 1.00 0.00 C ATOM 1567 O TYR A 106 4.661 -1.394 8.395 1.00 0.00 O ATOM 1568 CB TYR A 106 4.035 -2.569 5.827 1.00 0.00 C ATOM 1569 CG TYR A 106 5.442 -2.280 5.354 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.170 -1.221 5.882 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.043 -3.066 4.379 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.455 -0.952 5.453 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.329 -2.806 3.944 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.030 -1.748 4.484 1.00 0.00 C ATOM 1575 OH TYR A 106 9.310 -1.485 4.053 1.00 0.00 O ATOM 0 H TYR A 106 1.921 -2.942 7.053 1.00 0.00 H new ATOM 0 HA TYR A 106 4.404 -4.326 7.010 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.515 -3.146 5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.497 -1.627 5.936 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.723 -0.597 6.642 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.496 -3.894 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.006 -0.124 5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.782 -3.428 3.186 1.00 0.00 H new ATOM 0 HH TYR A 106 9.881 -2.262 4.229 1.00 0.00 H new ATOM 1654 N GLY A 112 13.301 2.411 0.121 1.00 0.00 N ATOM 1655 CA GLY A 112 13.287 1.526 -1.029 1.00 0.00 C ATOM 1656 C GLY A 112 14.076 0.254 -0.792 1.00 0.00 C ATOM 1657 O GLY A 112 13.620 -0.838 -1.130 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.256 1.270 -1.274 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.699 2.050 -1.892 1.00 0.00 H new ATOM 1661 N GLU A 113 15.263 0.395 -0.210 1.00 0.00 N ATOM 1662 CA GLU A 113 16.117 -0.753 0.069 1.00 0.00 C ATOM 1663 C GLU A 113 15.437 -1.714 1.040 1.00 0.00 C ATOM 1664 O GLU A 113 15.330 -2.910 0.773 1.00 0.00 O ATOM 1665 CB GLU A 113 17.457 -0.291 0.646 1.00 0.00 C ATOM 1666 CG GLU A 113 17.372 1.021 1.407 1.00 0.00 C ATOM 1667 CD GLU A 113 18.461 1.161 2.454 1.00 0.00 C ATOM 1668 OE1 GLU A 113 18.885 0.127 3.011 1.00 0.00 O ATOM 1669 OE2 GLU A 113 18.889 2.304 2.715 1.00 0.00 O ATOM 0 H GLU A 113 15.654 1.292 0.077 1.00 0.00 H new ATOM 0 HA GLU A 113 16.295 -1.278 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.842 -1.063 1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.175 -0.184 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.442 1.850 0.703 1.00 0.00 H new ATOM 0 HG3 GLU A 113 16.398 1.094 1.890 1.00 0.00 H new ATOM 1676 N ALA A 114 14.980 -1.180 2.168 1.00 0.00 N ATOM 1677 CA ALA A 114 14.309 -1.989 3.179 1.00 0.00 C ATOM 1678 C ALA A 114 13.074 -2.674 2.603 1.00 0.00 C ATOM 1679 O ALA A 114 12.883 -3.878 2.777 1.00 0.00 O ATOM 1680 CB ALA A 114 13.929 -1.130 4.375 1.00 0.00 C ATOM 0 H ALA A 114 15.062 -0.191 2.405 1.00 0.00 H new ATOM 0 HA ALA A 114 15.002 -2.764 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.429 -1.747 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.828 -0.692 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 114 13.257 -0.334 4.053 1.00 0.00 H new ATOM 1686 N ILE A 115 12.240 -1.900 1.917 1.00 0.00 N ATOM 1687 CA ILE A 115 11.024 -2.433 1.315 1.00 0.00 C ATOM 1688 C ILE A 115 11.325 -3.664 0.467 1.00 0.00 C ATOM 1689 O ILE A 115 10.630 -4.677 0.554 1.00 0.00 O ATOM 1690 CB ILE A 115 10.320 -1.380 0.440 1.00 0.00 C ATOM 1691 CG1 ILE A 115 10.032 -0.118 1.256 1.00 0.00 C ATOM 1692 CG2 ILE A 115 9.034 -1.947 -0.141 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.084 1.155 0.439 1.00 0.00 C ATOM 0 H ILE A 115 12.384 -0.902 1.764 1.00 0.00 H new ATOM 0 HA ILE A 115 10.362 -2.712 2.135 1.00 0.00 H new ATOM 0 HB ILE A 115 10.981 -1.114 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 115 9.046 -0.207 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.755 -0.048 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.548 -1.190 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.265 -2.819 -0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.366 -2.238 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.870 2.009 1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.077 1.268 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.342 1.106 -0.358 1.00 0.00 H new ATOM 1705 N VAL A 116 12.367 -3.571 -0.354 1.00 0.00 N ATOM 1706 CA VAL A 116 12.762 -4.677 -1.217 1.00 0.00 C ATOM 1707 C VAL A 116 12.935 -5.964 -0.416 1.00 0.00 C ATOM 1708 O VAL A 116 12.551 -7.043 -0.867 1.00 0.00 O ATOM 1709 CB VAL A 116 14.075 -4.368 -1.960 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.651 -5.634 -2.576 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.847 -3.304 -3.023 1.00 0.00 C ATOM 0 H VAL A 116 12.953 -2.740 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 116 11.963 -4.810 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 116 14.797 -3.982 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.578 -5.396 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.853 -6.362 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.935 -6.053 -3.283 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.785 -3.098 -3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.109 -3.660 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.484 -2.391 -2.552 1.00 0.00 H new ATOM 1721 N ASP A 117 13.514 -5.841 0.773 1.00 0.00 N ATOM 1722 CA ASP A 117 13.737 -6.993 1.638 1.00 0.00 C ATOM 1723 C ASP A 117 12.432 -7.446 2.286 1.00 0.00 C ATOM 1724 O ASP A 117 12.206 -8.640 2.481 1.00 0.00 O ATOM 1725 CB ASP A 117 14.767 -6.657 2.717 1.00 0.00 C ATOM 1726 CG ASP A 117 15.507 -7.884 3.214 1.00 0.00 C ATOM 1727 OD1 ASP A 117 14.920 -8.986 3.177 1.00 0.00 O ATOM 1728 OD2 ASP A 117 16.672 -7.742 3.639 1.00 0.00 O ATOM 0 H ASP A 117 13.838 -4.954 1.160 1.00 0.00 H new ATOM 0 HA ASP A 117 14.120 -7.808 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.485 -5.940 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.266 -6.174 3.556 1.00 0.00 H new ATOM 1733 N ALA A 118 11.578 -6.484 2.619 1.00 0.00 N ATOM 1734 CA ALA A 118 10.296 -6.784 3.244 1.00 0.00 C ATOM 1735 C ALA A 118 9.385 -7.550 2.290 1.00 0.00 C ATOM 1736 O ALA A 118 8.776 -8.550 2.668 1.00 0.00 O ATOM 1737 CB ALA A 118 9.621 -5.501 3.705 1.00 0.00 C ATOM 0 H ALA A 118 11.751 -5.490 2.466 1.00 0.00 H new ATOM 0 HA ALA A 118 10.482 -7.416 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.664 -5.740 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.259 -4.994 4.428 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.455 -4.849 2.848 1.00 0.00 H new ATOM 1743 N ALA A 119 9.298 -7.073 1.053 1.00 0.00 N ATOM 1744 CA ALA A 119 8.462 -7.715 0.045 1.00 0.00 C ATOM 1745 C ALA A 119 8.887 -9.162 -0.180 1.00 0.00 C ATOM 1746 O ALA A 119 8.049 -10.063 -0.246 1.00 0.00 O ATOM 1747 CB ALA A 119 8.520 -6.937 -1.261 1.00 0.00 C ATOM 0 H ALA A 119 9.795 -6.245 0.724 1.00 0.00 H new ATOM 0 HA ALA A 119 7.434 -7.718 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.892 -7.427 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.161 -5.921 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.549 -6.905 -1.620 1.00 0.00 H new ATOM 1753 N LEU A 120 10.192 -9.379 -0.298 1.00 0.00 N ATOM 1754 CA LEU A 120 10.728 -10.718 -0.517 1.00 0.00 C ATOM 1755 C LEU A 120 10.418 -11.629 0.667 1.00 0.00 C ATOM 1756 O LEU A 120 9.806 -12.685 0.507 1.00 0.00 O ATOM 1757 CB LEU A 120 12.240 -10.653 -0.743 1.00 0.00 C ATOM 1758 CG LEU A 120 12.699 -9.928 -2.008 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.095 -9.357 -1.819 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.663 -10.869 -3.204 1.00 0.00 C ATOM 0 H LEU A 120 10.899 -8.645 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 120 10.252 -11.133 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.695 -10.163 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.627 -11.672 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 120 12.014 -9.102 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.405 -8.845 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.090 -8.650 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.793 -10.166 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.993 -10.336 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.325 -11.715 -3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.645 -11.230 -3.352 1.00 0.00 H new ATOM 1772 N SER A 121 10.843 -11.211 1.855 1.00 0.00 N ATOM 1773 CA SER A 121 10.612 -11.990 3.067 1.00 0.00 C ATOM 1774 C SER A 121 9.186 -12.532 3.100 1.00 0.00 C ATOM 1775 O SER A 121 8.960 -13.695 3.432 1.00 0.00 O ATOM 1776 CB SER A 121 10.873 -11.133 4.307 1.00 0.00 C ATOM 1777 OG SER A 121 11.231 -11.938 5.417 1.00 0.00 O ATOM 0 H SER A 121 11.349 -10.338 2.005 1.00 0.00 H new ATOM 0 HA SER A 121 11.303 -12.833 3.065 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.671 -10.420 4.099 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.982 -10.553 4.547 1.00 0.00 H new ATOM 0 HG SER A 121 11.394 -11.367 6.196 1.00 0.00 H new ATOM 1783 N ALA A 122 8.227 -11.679 2.755 1.00 0.00 N ATOM 1784 CA ALA A 122 6.823 -12.071 2.744 1.00 0.00 C ATOM 1785 C ALA A 122 6.519 -12.988 1.563 1.00 0.00 C ATOM 1786 O ALA A 122 5.742 -13.936 1.685 1.00 0.00 O ATOM 1787 CB ALA A 122 5.931 -10.839 2.701 1.00 0.00 C ATOM 0 H ALA A 122 8.397 -10.712 2.479 1.00 0.00 H new ATOM 0 HA ALA A 122 6.618 -12.622 3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.885 -11.147 2.693 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.121 -10.222 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.147 -10.265 1.800 1.00 0.00 H new