USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 832 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 25 SER OG : rot 180:sc= -0.2 USER MOD Single : A 28 GLN : amide:sc= -3.63! C(o=-3.6!,f=-3.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -4.03! C(o=-4!,f=-5.3!) USER MOD Single : A 52 GLN : amide:sc= -0.21 K(o=-0.21,f=-0.96) USER MOD Single : A 53 CYS SG : rot -97:sc= -1.47 USER MOD Single : A 55 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.00022) USER MOD Single : A 56 MET CE :methyl -109:sc= -1.88! (180deg=-5.92!) USER MOD Single : A 57 ASN : amide:sc=-0.00784 K(o=-0.0078,f=-1) USER MOD Single : A 60 MET CE :methyl -147:sc= -2.3 (180deg=-2.87!) USER MOD Single : A 65 LYS NZ :NH3+ -155:sc= -0.0903 (180deg=-0.851) USER MOD Single : A 69 GLN : amide:sc= -0.0115 K(o=-0.011,f=-1) USER MOD Single : A 71 SER OG : rot 130:sc= -0.629 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 81:sc= 0.174 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot -80:sc= 1.91 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 36:sc= 0.856 USER MOD Single : A 94 THR OG1 : rot -81:sc= 0.451 USER MOD Single : A 99 LYS NZ :NH3+ -155:sc= -2.6! (180deg=-3.09!) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0.44) USER MOD Single : A 101 SER OG : rot 32:sc= 0.0502 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.0186 F(o=-0.72,f=-0.019) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -126:sc= -0.718 (180deg=-1.07) USER MOD Single : A 120 GLN : amide:sc= -0.797 K(o=-0.8,f=-1.3) USER MOD Single : A 122 HIS : no HE2:sc= -6.72! C(o=-6.7!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 201 N VAL A 20 -1.450 2.003 -8.956 1.00 0.00 N ATOM 202 CA VAL A 20 -2.697 2.278 -8.252 1.00 0.00 C ATOM 203 C VAL A 20 -3.819 2.606 -9.231 1.00 0.00 C ATOM 204 O VAL A 20 -3.764 3.611 -9.938 1.00 0.00 O ATOM 205 CB VAL A 20 -2.537 3.447 -7.261 1.00 0.00 C ATOM 206 CG1 VAL A 20 -3.855 3.735 -6.558 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.440 3.142 -6.252 1.00 0.00 C ATOM 0 HA VAL A 20 -2.954 1.375 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.249 4.338 -7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.723 4.563 -5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.611 3.999 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.177 2.849 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.340 3.978 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.697 2.240 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.496 2.990 -6.776 1.00 0.00 H new ATOM 217 N GLU A 21 -4.837 1.751 -9.265 1.00 0.00 N ATOM 218 CA GLU A 21 -5.972 1.951 -10.157 1.00 0.00 C ATOM 219 C GLU A 21 -6.875 3.070 -9.647 1.00 0.00 C ATOM 220 O GLU A 21 -6.962 3.310 -8.443 1.00 0.00 O ATOM 221 CB GLU A 21 -6.775 0.655 -10.295 1.00 0.00 C ATOM 222 CG GLU A 21 -6.130 -0.366 -11.216 1.00 0.00 C ATOM 223 CD GLU A 21 -6.263 0.002 -12.680 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.304 -0.334 -13.284 1.00 0.00 O ATOM 225 OE2 GLU A 21 -5.328 0.626 -13.224 1.00 0.00 O ATOM 0 H GLU A 21 -4.898 0.914 -8.685 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.586 2.237 -11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.904 0.211 -9.308 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.770 0.893 -10.670 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.074 -0.461 -10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.587 -1.341 -11.048 1.00 0.00 H new ATOM 232 N GLU A 22 -7.544 3.751 -10.572 1.00 0.00 N ATOM 233 CA GLU A 22 -8.439 4.846 -10.216 1.00 0.00 C ATOM 234 C GLU A 22 -9.897 4.401 -10.285 1.00 0.00 C ATOM 235 O GLU A 22 -10.460 4.245 -11.369 1.00 0.00 O ATOM 236 CB GLU A 22 -8.214 6.040 -11.145 1.00 0.00 C ATOM 237 CG GLU A 22 -7.131 6.990 -10.664 1.00 0.00 C ATOM 238 CD GLU A 22 -6.769 8.036 -11.701 1.00 0.00 C ATOM 239 OE1 GLU A 22 -7.683 8.516 -12.404 1.00 0.00 O ATOM 240 OE2 GLU A 22 -5.572 8.375 -11.809 1.00 0.00 O ATOM 0 H GLU A 22 -7.483 3.564 -11.573 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.217 5.145 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.949 5.673 -12.137 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.149 6.591 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.467 7.487 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.240 6.418 -10.404 1.00 0.00 H new ATOM 247 N VAL A 23 -10.503 4.197 -9.119 1.00 0.00 N ATOM 248 CA VAL A 23 -11.895 3.770 -9.046 1.00 0.00 C ATOM 249 C VAL A 23 -12.833 4.969 -8.952 1.00 0.00 C ATOM 250 O VAL A 23 -12.766 5.749 -8.003 1.00 0.00 O ATOM 251 CB VAL A 23 -12.137 2.847 -7.837 1.00 0.00 C ATOM 252 CG1 VAL A 23 -13.612 2.496 -7.719 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.288 1.590 -7.949 1.00 0.00 C ATOM 0 H VAL A 23 -10.052 4.321 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.105 3.218 -9.962 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.842 3.378 -6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.763 1.843 -6.859 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.194 3.408 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.938 1.984 -8.625 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.471 0.949 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.550 1.054 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.234 1.865 -7.979 1.00 0.00 H new ATOM 263 N GLY A 24 -13.708 5.108 -9.943 1.00 0.00 N ATOM 264 CA GLY A 24 -14.648 6.214 -9.953 1.00 0.00 C ATOM 265 C GLY A 24 -16.087 5.751 -10.064 1.00 0.00 C ATOM 266 O GLY A 24 -16.940 6.473 -10.579 1.00 0.00 O ATOM 0 H GLY A 24 -13.783 4.475 -10.739 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.527 6.798 -9.041 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.417 6.876 -10.788 1.00 0.00 H new ATOM 270 N SER A 25 -16.357 4.542 -9.582 1.00 0.00 N ATOM 271 CA SER A 25 -17.702 3.981 -9.634 1.00 0.00 C ATOM 272 C SER A 25 -17.820 2.767 -8.718 1.00 0.00 C ATOM 273 O SER A 25 -16.858 2.025 -8.526 1.00 0.00 O ATOM 274 CB SER A 25 -18.057 3.588 -11.069 1.00 0.00 C ATOM 275 OG SER A 25 -17.287 2.480 -11.500 1.00 0.00 O ATOM 0 H SER A 25 -15.662 3.932 -9.151 1.00 0.00 H new ATOM 0 HA SER A 25 -18.401 4.743 -9.290 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.117 3.344 -11.131 1.00 0.00 H new ATOM 0 HB3 SER A 25 -17.886 4.434 -11.734 1.00 0.00 H new ATOM 0 HG SER A 25 -17.534 2.248 -12.419 1.00 0.00 H new ATOM 281 N ALA A 26 -19.008 2.572 -8.155 1.00 0.00 N ATOM 282 CA ALA A 26 -19.254 1.448 -7.261 1.00 0.00 C ATOM 283 C ALA A 26 -19.150 0.121 -8.005 1.00 0.00 C ATOM 284 O ALA A 26 -18.776 -0.899 -7.427 1.00 0.00 O ATOM 285 CB ALA A 26 -20.622 1.582 -6.608 1.00 0.00 C ATOM 0 H ALA A 26 -19.815 3.178 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.489 1.460 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.792 0.735 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.662 2.508 -6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.393 1.599 -7.378 1.00 0.00 H new ATOM 291 N GLY A 27 -19.483 0.141 -9.292 1.00 0.00 N ATOM 292 CA GLY A 27 -19.421 -1.066 -10.094 1.00 0.00 C ATOM 293 C GLY A 27 -17.997 -1.529 -10.335 1.00 0.00 C ATOM 294 O GLY A 27 -17.732 -2.729 -10.402 1.00 0.00 O ATOM 0 H GLY A 27 -19.795 0.973 -9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.978 -1.859 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.909 -0.887 -11.052 1.00 0.00 H new ATOM 298 N GLN A 28 -17.081 -0.576 -10.468 1.00 0.00 N ATOM 299 CA GLN A 28 -15.678 -0.893 -10.705 1.00 0.00 C ATOM 300 C GLN A 28 -15.045 -1.520 -9.468 1.00 0.00 C ATOM 301 O GLN A 28 -14.231 -2.439 -9.572 1.00 0.00 O ATOM 302 CB GLN A 28 -14.908 0.368 -11.103 1.00 0.00 C ATOM 303 CG GLN A 28 -13.518 0.085 -11.650 1.00 0.00 C ATOM 304 CD GLN A 28 -12.591 1.278 -11.532 1.00 0.00 C ATOM 305 OE1 GLN A 28 -12.980 2.412 -11.815 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.356 1.029 -11.112 1.00 0.00 N ATOM 0 H GLN A 28 -17.285 0.422 -10.416 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.628 -1.614 -11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.481 0.912 -11.854 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.822 1.020 -10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.086 -0.760 -11.114 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.596 -0.207 -12.697 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.076 0.074 -10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.687 1.793 -11.013 1.00 0.00 H new ATOM 315 N PHE A 29 -15.422 -1.018 -8.297 1.00 0.00 N ATOM 316 CA PHE A 29 -14.890 -1.529 -7.039 1.00 0.00 C ATOM 317 C PHE A 29 -15.556 -2.849 -6.662 1.00 0.00 C ATOM 318 O PHE A 29 -14.881 -3.842 -6.396 1.00 0.00 O ATOM 319 CB PHE A 29 -15.095 -0.504 -5.921 1.00 0.00 C ATOM 320 CG PHE A 29 -14.847 -1.058 -4.547 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.609 -1.581 -4.210 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.852 -1.057 -3.593 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.377 -2.092 -2.946 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.625 -1.565 -2.328 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.387 -2.084 -2.005 1.00 0.00 C ATOM 0 H PHE A 29 -16.094 -0.258 -8.193 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.822 -1.706 -7.170 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.429 0.342 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.115 -0.122 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.816 -1.590 -4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.823 -0.655 -3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.407 -2.497 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.416 -1.556 -1.592 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.209 -2.483 -1.017 1.00 0.00 H new ATOM 335 N GLU A 30 -16.886 -2.850 -6.642 1.00 0.00 N ATOM 336 CA GLU A 30 -17.643 -4.047 -6.297 1.00 0.00 C ATOM 337 C GLU A 30 -17.197 -5.236 -7.143 1.00 0.00 C ATOM 338 O GLU A 30 -17.091 -6.358 -6.648 1.00 0.00 O ATOM 339 CB GLU A 30 -19.141 -3.803 -6.490 1.00 0.00 C ATOM 340 CG GLU A 30 -19.766 -2.955 -5.395 1.00 0.00 C ATOM 341 CD GLU A 30 -21.258 -3.187 -5.257 1.00 0.00 C ATOM 342 OE1 GLU A 30 -22.029 -2.557 -6.011 1.00 0.00 O ATOM 343 OE2 GLU A 30 -21.654 -3.999 -4.394 1.00 0.00 O ATOM 0 H GLU A 30 -17.460 -2.036 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.452 -4.277 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.300 -3.315 -7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.655 -4.764 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -19.278 -3.177 -4.446 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.584 -1.902 -5.608 1.00 0.00 H new ATOM 350 N GLU A 31 -16.938 -4.981 -8.422 1.00 0.00 N ATOM 351 CA GLU A 31 -16.505 -6.030 -9.337 1.00 0.00 C ATOM 352 C GLU A 31 -15.055 -6.424 -9.067 1.00 0.00 C ATOM 353 O GLU A 31 -14.715 -7.607 -9.045 1.00 0.00 O ATOM 354 CB GLU A 31 -16.656 -5.567 -10.788 1.00 0.00 C ATOM 355 CG GLU A 31 -15.480 -4.748 -11.292 1.00 0.00 C ATOM 356 CD GLU A 31 -15.548 -4.486 -12.784 1.00 0.00 C ATOM 357 OE1 GLU A 31 -16.434 -5.065 -13.447 1.00 0.00 O ATOM 358 OE2 GLU A 31 -14.716 -3.704 -13.288 1.00 0.00 O ATOM 0 H GLU A 31 -17.021 -4.058 -8.847 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.138 -6.902 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.780 -6.441 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -17.566 -4.974 -10.878 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.451 -3.797 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -14.552 -5.271 -11.061 1.00 0.00 H new ATOM 365 N LEU A 32 -14.205 -5.424 -8.862 1.00 0.00 N ATOM 366 CA LEU A 32 -12.792 -5.664 -8.593 1.00 0.00 C ATOM 367 C LEU A 32 -12.608 -6.433 -7.288 1.00 0.00 C ATOM 368 O LEU A 32 -11.598 -7.109 -7.090 1.00 0.00 O ATOM 369 CB LEU A 32 -12.032 -4.338 -8.528 1.00 0.00 C ATOM 370 CG LEU A 32 -10.521 -4.418 -8.751 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.193 -4.300 -10.231 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.807 -3.335 -7.956 1.00 0.00 C ATOM 0 H LEU A 32 -14.470 -4.439 -8.877 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.390 -6.266 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.454 -3.664 -9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.212 -3.887 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.172 -5.389 -8.399 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.114 -4.359 -10.370 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.674 -5.112 -10.776 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.556 -3.344 -10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.733 -3.407 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.161 -2.355 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.015 -3.466 -6.894 1.00 0.00 H new ATOM 384 N LEU A 33 -13.592 -6.326 -6.402 1.00 0.00 N ATOM 385 CA LEU A 33 -13.541 -7.013 -5.116 1.00 0.00 C ATOM 386 C LEU A 33 -13.538 -8.526 -5.307 1.00 0.00 C ATOM 387 O LEU A 33 -13.006 -9.265 -4.478 1.00 0.00 O ATOM 388 CB LEU A 33 -14.730 -6.599 -4.247 1.00 0.00 C ATOM 389 CG LEU A 33 -14.509 -5.388 -3.339 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.836 -4.867 -2.811 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.579 -5.746 -2.189 1.00 0.00 C ATOM 0 H LEU A 33 -14.434 -5.770 -6.550 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.616 -6.727 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.576 -6.388 -4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.012 -7.448 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.040 -4.599 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.658 -4.006 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.469 -4.571 -3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.333 -5.651 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.433 -4.872 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.019 -6.552 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.617 -6.070 -2.586 1.00 0.00 H new ATOM 403 N ARG A 34 -14.134 -8.980 -6.404 1.00 0.00 N ATOM 404 CA ARG A 34 -14.199 -10.405 -6.705 1.00 0.00 C ATOM 405 C ARG A 34 -12.895 -10.889 -7.331 1.00 0.00 C ATOM 406 O ARG A 34 -12.348 -11.919 -6.935 1.00 0.00 O ATOM 407 CB ARG A 34 -15.369 -10.696 -7.647 1.00 0.00 C ATOM 408 CG ARG A 34 -16.647 -9.962 -7.276 1.00 0.00 C ATOM 409 CD ARG A 34 -17.236 -10.490 -5.976 1.00 0.00 C ATOM 410 NE ARG A 34 -17.557 -11.912 -6.059 1.00 0.00 N ATOM 411 CZ ARG A 34 -17.703 -12.696 -4.997 1.00 0.00 C ATOM 412 NH1 ARG A 34 -17.556 -12.198 -3.777 1.00 0.00 N ATOM 413 NH2 ARG A 34 -17.996 -13.981 -5.153 1.00 0.00 N ATOM 0 H ARG A 34 -14.579 -8.381 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.353 -10.942 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.084 -10.421 -8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.564 -11.768 -7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.440 -8.896 -7.177 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.377 -10.072 -8.078 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.528 -10.325 -5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.138 -9.928 -5.732 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.676 -12.326 -6.984 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.330 -11.211 -3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.669 -12.802 -2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -18.109 -14.368 -6.090 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -18.108 -14.581 -4.336 1.00 0.00 H new ATOM 427 N LEU A 35 -12.402 -10.140 -8.311 1.00 0.00 N ATOM 428 CA LEU A 35 -11.161 -10.492 -8.993 1.00 0.00 C ATOM 429 C LEU A 35 -9.966 -10.354 -8.056 1.00 0.00 C ATOM 430 O LEU A 35 -9.186 -11.292 -7.885 1.00 0.00 O ATOM 431 CB LEU A 35 -10.964 -9.605 -10.224 1.00 0.00 C ATOM 432 CG LEU A 35 -12.171 -9.465 -11.151 1.00 0.00 C ATOM 433 CD1 LEU A 35 -11.904 -8.419 -12.222 1.00 0.00 C ATOM 434 CD2 LEU A 35 -12.515 -10.805 -11.786 1.00 0.00 C ATOM 0 H LEU A 35 -12.842 -9.285 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.232 -11.533 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.673 -8.610 -9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.130 -10.002 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.024 -9.137 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.775 -8.334 -12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.708 -7.456 -11.750 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.038 -8.716 -12.813 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.377 -10.686 -12.443 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.664 -11.162 -12.366 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.751 -11.528 -11.005 1.00 0.00 H new ATOM 446 N LYS A 36 -9.829 -9.180 -7.449 1.00 0.00 N ATOM 447 CA LYS A 36 -8.731 -8.920 -6.525 1.00 0.00 C ATOM 448 C LYS A 36 -9.085 -9.382 -5.115 1.00 0.00 C ATOM 449 O LYS A 36 -8.692 -8.757 -4.131 1.00 0.00 O ATOM 450 CB LYS A 36 -8.390 -7.428 -6.514 1.00 0.00 C ATOM 451 CG LYS A 36 -8.161 -6.846 -7.898 1.00 0.00 C ATOM 452 CD LYS A 36 -6.866 -7.353 -8.509 1.00 0.00 C ATOM 453 CE LYS A 36 -6.733 -6.931 -9.964 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.655 -7.684 -10.664 1.00 0.00 N ATOM 0 H LYS A 36 -10.465 -8.393 -7.580 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.862 -9.483 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.200 -6.882 -6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.495 -7.273 -5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.997 -7.108 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.134 -5.758 -7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.019 -6.970 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.831 -8.440 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.681 -7.093 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.521 -5.863 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.596 -7.367 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.746 -7.510 -10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.869 -8.701 -10.638 1.00 0.00 H new ATOM 468 N ALA A 37 -9.828 -10.480 -5.026 1.00 0.00 N ATOM 469 CA ALA A 37 -10.231 -11.027 -3.737 1.00 0.00 C ATOM 470 C ALA A 37 -9.119 -11.874 -3.128 1.00 0.00 C ATOM 471 O ALA A 37 -8.768 -11.710 -1.959 1.00 0.00 O ATOM 472 CB ALA A 37 -11.502 -11.850 -3.887 1.00 0.00 C ATOM 0 H ALA A 37 -10.163 -11.008 -5.832 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.428 -10.194 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.791 -12.253 -2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.302 -11.217 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.324 -12.671 -4.582 1.00 0.00 H new ATOM 478 N LYS A 38 -8.567 -12.781 -3.927 1.00 0.00 N ATOM 479 CA LYS A 38 -7.493 -13.654 -3.468 1.00 0.00 C ATOM 480 C LYS A 38 -6.293 -12.839 -2.996 1.00 0.00 C ATOM 481 O LYS A 38 -5.577 -13.245 -2.081 1.00 0.00 O ATOM 482 CB LYS A 38 -7.068 -14.606 -4.588 1.00 0.00 C ATOM 483 CG LYS A 38 -6.198 -13.951 -5.646 1.00 0.00 C ATOM 484 CD LYS A 38 -5.408 -14.981 -6.435 1.00 0.00 C ATOM 485 CE LYS A 38 -4.087 -14.412 -6.930 1.00 0.00 C ATOM 486 NZ LYS A 38 -3.383 -15.356 -7.841 1.00 0.00 N ATOM 0 H LYS A 38 -8.846 -12.931 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.867 -14.237 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.526 -15.446 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.959 -15.014 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.824 -13.373 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.511 -13.250 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.218 -15.853 -5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.000 -15.322 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.269 -13.472 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.447 -14.185 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.488 -14.931 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.186 -16.244 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.983 -15.553 -8.668 1.00 0.00 H new ATOM 500 N SER A 39 -6.081 -11.688 -3.625 1.00 0.00 N ATOM 501 CA SER A 39 -4.967 -10.817 -3.271 1.00 0.00 C ATOM 502 C SER A 39 -5.393 -9.784 -2.233 1.00 0.00 C ATOM 503 O SER A 39 -6.584 -9.577 -1.998 1.00 0.00 O ATOM 504 CB SER A 39 -4.427 -10.112 -4.517 1.00 0.00 C ATOM 505 OG SER A 39 -3.992 -11.050 -5.486 1.00 0.00 O ATOM 0 H SER A 39 -6.666 -11.337 -4.383 1.00 0.00 H new ATOM 0 HA SER A 39 -4.178 -11.434 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.203 -9.477 -4.944 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.598 -9.460 -4.240 1.00 0.00 H new ATOM 0 HG SER A 39 -3.653 -10.574 -6.273 1.00 0.00 H new ATOM 511 N LEU A 40 -4.412 -9.137 -1.613 1.00 0.00 N ATOM 512 CA LEU A 40 -4.683 -8.124 -0.599 1.00 0.00 C ATOM 513 C LEU A 40 -5.089 -6.803 -1.244 1.00 0.00 C ATOM 514 O LEU A 40 -4.257 -6.098 -1.817 1.00 0.00 O ATOM 515 CB LEU A 40 -3.452 -7.916 0.285 1.00 0.00 C ATOM 516 CG LEU A 40 -3.512 -6.732 1.250 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.671 -6.893 2.222 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.197 -6.592 2.004 1.00 0.00 C ATOM 0 H LEU A 40 -3.421 -9.296 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.510 -8.475 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.288 -8.824 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.583 -7.789 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.675 -5.823 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.698 -6.041 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.607 -6.944 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.540 -7.810 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.257 -5.744 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.005 -7.502 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.386 -6.429 1.294 1.00 0.00 H new ATOM 530 N LEU A 41 -6.372 -6.472 -1.146 1.00 0.00 N ATOM 531 CA LEU A 41 -6.889 -5.234 -1.717 1.00 0.00 C ATOM 532 C LEU A 41 -6.909 -4.120 -0.676 1.00 0.00 C ATOM 533 O LEU A 41 -7.411 -4.302 0.434 1.00 0.00 O ATOM 534 CB LEU A 41 -8.297 -5.454 -2.273 1.00 0.00 C ATOM 535 CG LEU A 41 -8.819 -4.377 -3.225 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.047 -4.403 -4.535 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.308 -4.565 -3.477 1.00 0.00 C ATOM 0 H LEU A 41 -7.073 -7.044 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.227 -4.934 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.315 -6.411 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.988 -5.535 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.670 -3.403 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.432 -3.630 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.991 -4.219 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.164 -5.379 -5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.663 -3.790 -4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.481 -5.545 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.848 -4.495 -2.533 1.00 0.00 H new ATOM 549 N VAL A 42 -6.363 -2.964 -1.041 1.00 0.00 N ATOM 550 CA VAL A 42 -6.322 -1.819 -0.139 1.00 0.00 C ATOM 551 C VAL A 42 -7.003 -0.606 -0.761 1.00 0.00 C ATOM 552 O VAL A 42 -6.430 0.074 -1.612 1.00 0.00 O ATOM 553 CB VAL A 42 -4.873 -1.448 0.230 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.852 -0.261 1.181 1.00 0.00 C ATOM 555 CG2 VAL A 42 -4.156 -2.643 0.838 1.00 0.00 C ATOM 0 H VAL A 42 -5.943 -2.796 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.857 -2.108 0.766 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.346 -1.162 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.820 -0.013 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.326 0.596 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.395 -0.515 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.134 -2.363 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.680 -2.962 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.139 -3.462 0.119 1.00 0.00 H new ATOM 565 N VAL A 43 -8.232 -0.338 -0.329 1.00 0.00 N ATOM 566 CA VAL A 43 -8.992 0.795 -0.842 1.00 0.00 C ATOM 567 C VAL A 43 -8.618 2.082 -0.115 1.00 0.00 C ATOM 568 O VAL A 43 -9.008 2.296 1.033 1.00 0.00 O ATOM 569 CB VAL A 43 -10.509 0.563 -0.702 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.282 1.789 -1.164 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.932 -0.671 -1.484 1.00 0.00 C ATOM 0 H VAL A 43 -8.722 -0.890 0.375 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.742 0.891 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.738 0.395 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.351 1.606 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.999 2.648 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.051 1.992 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.006 -0.821 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.690 -0.534 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.403 -1.544 -1.101 1.00 0.00 H new ATOM 581 N HIS A 44 -7.858 2.938 -0.792 1.00 0.00 N ATOM 582 CA HIS A 44 -7.431 4.206 -0.211 1.00 0.00 C ATOM 583 C HIS A 44 -8.336 5.345 -0.669 1.00 0.00 C ATOM 584 O HIS A 44 -8.591 5.508 -1.863 1.00 0.00 O ATOM 585 CB HIS A 44 -5.981 4.504 -0.596 1.00 0.00 C ATOM 586 CG HIS A 44 -5.551 5.902 -0.272 1.00 0.00 C ATOM 587 ND1 HIS A 44 -5.077 6.782 -1.221 1.00 0.00 N ATOM 588 CD2 HIS A 44 -5.527 6.571 0.905 1.00 0.00 C ATOM 589 CE1 HIS A 44 -4.779 7.932 -0.642 1.00 0.00 C ATOM 590 NE2 HIS A 44 -5.043 7.830 0.648 1.00 0.00 N ATOM 0 H HIS A 44 -7.526 2.776 -1.743 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.502 4.123 0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.325 3.802 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.855 4.332 -1.665 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.832 6.186 1.867 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.386 8.807 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.909 8.567 1.341 1.00 0.00 H new ATOM 599 N PHE A 45 -8.819 6.131 0.287 1.00 0.00 N ATOM 600 CA PHE A 45 -9.697 7.255 -0.018 1.00 0.00 C ATOM 601 C PHE A 45 -8.887 8.511 -0.323 1.00 0.00 C ATOM 602 O PHE A 45 -8.016 8.904 0.453 1.00 0.00 O ATOM 603 CB PHE A 45 -10.648 7.518 1.151 1.00 0.00 C ATOM 604 CG PHE A 45 -11.901 6.691 1.104 1.00 0.00 C ATOM 605 CD1 PHE A 45 -11.857 5.328 1.349 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.123 7.277 0.813 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.008 4.564 1.306 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.277 6.518 0.769 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.219 5.160 1.015 1.00 0.00 C ATOM 0 H PHE A 45 -8.617 6.011 1.280 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.281 6.998 -0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.125 7.318 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.919 8.574 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.912 4.857 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.174 8.338 0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.960 3.503 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.223 6.986 0.542 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.120 4.565 0.980 1.00 0.00 H new ATOM 619 N TRP A 46 -9.181 9.136 -1.457 1.00 0.00 N ATOM 620 CA TRP A 46 -8.480 10.348 -1.865 1.00 0.00 C ATOM 621 C TRP A 46 -9.465 11.471 -2.171 1.00 0.00 C ATOM 622 O TRP A 46 -10.492 11.250 -2.813 1.00 0.00 O ATOM 623 CB TRP A 46 -7.609 10.070 -3.091 1.00 0.00 C ATOM 624 CG TRP A 46 -8.374 10.088 -4.380 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.871 9.008 -5.053 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.727 11.241 -5.151 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.512 9.421 -6.196 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.438 10.786 -6.279 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.513 12.614 -4.998 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.935 11.656 -7.246 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -9.006 13.476 -5.959 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.711 12.995 -7.071 1.00 0.00 C ATOM 0 H TRP A 46 -9.900 8.824 -2.110 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.843 10.664 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.813 10.814 -3.139 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.130 9.098 -2.975 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.774 7.981 -4.734 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.969 8.810 -6.873 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.972 12.994 -4.144 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.478 11.287 -8.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.845 14.539 -5.851 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -10.085 13.695 -7.804 1.00 0.00 H new ATOM 643 N ALA A 47 -9.146 12.675 -1.708 1.00 0.00 N ATOM 644 CA ALA A 47 -10.003 13.832 -1.934 1.00 0.00 C ATOM 645 C ALA A 47 -9.204 15.008 -2.485 1.00 0.00 C ATOM 646 O ALA A 47 -8.026 15.189 -2.174 1.00 0.00 O ATOM 647 CB ALA A 47 -10.708 14.228 -0.645 1.00 0.00 C ATOM 0 H ALA A 47 -8.300 12.875 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.753 13.557 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.344 15.093 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.319 13.396 -0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.966 14.478 0.113 1.00 0.00 H new ATOM 653 N PRO A 48 -9.856 15.828 -3.322 1.00 0.00 N ATOM 654 CA PRO A 48 -9.225 17.001 -3.934 1.00 0.00 C ATOM 655 C PRO A 48 -8.943 18.103 -2.918 1.00 0.00 C ATOM 656 O PRO A 48 -8.059 18.935 -3.121 1.00 0.00 O ATOM 657 CB PRO A 48 -10.262 17.469 -4.957 1.00 0.00 C ATOM 658 CG PRO A 48 -11.564 16.971 -4.432 1.00 0.00 C ATOM 659 CD PRO A 48 -11.261 15.673 -3.737 1.00 0.00 C ATOM 0 HA PRO A 48 -8.255 16.761 -4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.263 18.555 -5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.053 17.063 -5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.007 17.689 -3.742 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.280 16.823 -5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -11.917 15.512 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.391 14.820 -4.403 1.00 0.00 H new ATOM 667 N TRP A 49 -9.699 18.102 -1.827 1.00 0.00 N ATOM 668 CA TRP A 49 -9.530 19.103 -0.779 1.00 0.00 C ATOM 669 C TRP A 49 -8.492 18.651 0.242 1.00 0.00 C ATOM 670 O TRP A 49 -7.540 19.374 0.534 1.00 0.00 O ATOM 671 CB TRP A 49 -10.865 19.373 -0.083 1.00 0.00 C ATOM 672 CG TRP A 49 -11.668 18.132 0.164 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.520 17.519 -0.711 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.696 17.354 1.365 1.00 0.00 C ATOM 675 NE1 TRP A 49 -13.075 16.407 -0.125 1.00 0.00 N ATOM 676 CE2 TRP A 49 -12.586 16.284 1.148 1.00 0.00 C ATOM 677 CE3 TRP A 49 -11.055 17.457 2.603 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -12.849 15.325 2.123 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -11.318 16.505 3.570 1.00 0.00 C ATOM 680 CH2 TRP A 49 -12.207 15.450 3.326 1.00 0.00 C ATOM 0 H TRP A 49 -10.435 17.420 -1.644 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.178 20.024 -1.244 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.676 19.870 0.868 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.451 20.061 -0.692 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.727 17.859 -1.715 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.743 15.775 -0.567 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.367 18.266 2.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.535 14.512 1.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -10.830 16.576 4.531 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -12.389 14.721 4.102 1.00 0.00 H new ATOM 691 N ALA A 50 -8.682 17.452 0.782 1.00 0.00 N ATOM 692 CA ALA A 50 -7.760 16.904 1.769 1.00 0.00 C ATOM 693 C ALA A 50 -6.345 16.817 1.210 1.00 0.00 C ATOM 694 O ALA A 50 -6.058 16.041 0.297 1.00 0.00 O ATOM 695 CB ALA A 50 -8.233 15.533 2.229 1.00 0.00 C ATOM 0 H ALA A 50 -9.466 16.841 0.553 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.743 17.577 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.535 15.136 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.223 15.621 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.281 14.859 1.374 1.00 0.00 H new ATOM 701 N PRO A 51 -5.436 17.632 1.767 1.00 0.00 N ATOM 702 CA PRO A 51 -4.035 17.665 1.338 1.00 0.00 C ATOM 703 C PRO A 51 -3.280 16.398 1.725 1.00 0.00 C ATOM 704 O PRO A 51 -2.491 15.871 0.941 1.00 0.00 O ATOM 705 CB PRO A 51 -3.465 18.875 2.083 1.00 0.00 C ATOM 706 CG PRO A 51 -4.335 19.025 3.283 1.00 0.00 C ATOM 707 CD PRO A 51 -5.707 18.582 2.858 1.00 0.00 C ATOM 0 HA PRO A 51 -3.942 17.731 0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.425 18.712 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.490 19.770 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.967 18.417 4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.348 20.059 3.629 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.248 18.109 3.677 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.313 19.422 2.518 1.00 0.00 H new ATOM 715 N GLN A 52 -3.527 15.914 2.938 1.00 0.00 N ATOM 716 CA GLN A 52 -2.870 14.709 3.428 1.00 0.00 C ATOM 717 C GLN A 52 -2.885 13.612 2.369 1.00 0.00 C ATOM 718 O GLN A 52 -1.847 13.034 2.044 1.00 0.00 O ATOM 719 CB GLN A 52 -3.553 14.212 4.703 1.00 0.00 C ATOM 720 CG GLN A 52 -3.586 15.245 5.818 1.00 0.00 C ATOM 721 CD GLN A 52 -2.202 15.724 6.211 1.00 0.00 C ATOM 722 OE1 GLN A 52 -1.581 16.515 5.500 1.00 0.00 O ATOM 723 NE2 GLN A 52 -1.710 15.246 7.348 1.00 0.00 N ATOM 0 H GLN A 52 -4.178 16.338 3.599 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.833 14.958 3.653 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.574 13.913 4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.035 13.322 5.059 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.185 16.098 5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.079 14.817 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.259 14.592 7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.783 15.533 7.663 1.00 0.00 H new ATOM 732 N CYS A 53 -4.067 13.330 1.833 1.00 0.00 N ATOM 733 CA CYS A 53 -4.218 12.300 0.811 1.00 0.00 C ATOM 734 C CYS A 53 -3.109 12.403 -0.231 1.00 0.00 C ATOM 735 O CYS A 53 -2.694 11.401 -0.812 1.00 0.00 O ATOM 736 CB CYS A 53 -5.584 12.421 0.133 1.00 0.00 C ATOM 737 SG CYS A 53 -6.979 12.008 1.207 1.00 0.00 S ATOM 0 H CYS A 53 -4.935 13.800 2.089 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.147 11.327 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.708 13.441 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.604 11.767 -0.739 1.00 0.00 H new ATOM 0 HG CYS A 53 -7.331 10.773 1.005 1.00 0.00 H new ATOM 743 N ALA A 54 -2.634 13.623 -0.464 1.00 0.00 N ATOM 744 CA ALA A 54 -1.574 13.857 -1.436 1.00 0.00 C ATOM 745 C ALA A 54 -0.372 12.958 -1.164 1.00 0.00 C ATOM 746 O ALA A 54 0.118 12.274 -2.063 1.00 0.00 O ATOM 747 CB ALA A 54 -1.156 15.319 -1.420 1.00 0.00 C ATOM 0 H ALA A 54 -2.967 14.464 0.008 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.962 13.613 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.363 15.479 -2.151 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.012 15.945 -1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.792 15.583 -0.427 1.00 0.00 H new ATOM 753 N GLN A 55 0.097 12.965 0.079 1.00 0.00 N ATOM 754 CA GLN A 55 1.243 12.151 0.467 1.00 0.00 C ATOM 755 C GLN A 55 0.918 10.665 0.356 1.00 0.00 C ATOM 756 O GLN A 55 1.592 9.925 -0.360 1.00 0.00 O ATOM 757 CB GLN A 55 1.671 12.486 1.897 1.00 0.00 C ATOM 758 CG GLN A 55 1.792 13.977 2.163 1.00 0.00 C ATOM 759 CD GLN A 55 2.780 14.657 1.236 1.00 0.00 C ATOM 760 OE1 GLN A 55 2.467 15.672 0.613 1.00 0.00 O ATOM 761 NE2 GLN A 55 3.982 14.101 1.141 1.00 0.00 N ATOM 0 H GLN A 55 -0.298 13.525 0.834 1.00 0.00 H new ATOM 0 HA GLN A 55 2.064 12.376 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.949 12.059 2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.630 12.010 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.813 14.443 2.049 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.102 14.134 3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.198 13.260 1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.689 14.515 0.533 1.00 0.00 H new ATOM 770 N MET A 56 -0.119 10.236 1.067 1.00 0.00 N ATOM 771 CA MET A 56 -0.534 8.838 1.047 1.00 0.00 C ATOM 772 C MET A 56 -0.433 8.262 -0.362 1.00 0.00 C ATOM 773 O MET A 56 -0.100 7.092 -0.541 1.00 0.00 O ATOM 774 CB MET A 56 -1.967 8.701 1.565 1.00 0.00 C ATOM 775 CG MET A 56 -2.152 9.218 2.983 1.00 0.00 C ATOM 776 SD MET A 56 -1.488 8.092 4.225 1.00 0.00 S ATOM 777 CE MET A 56 0.255 8.500 4.154 1.00 0.00 C ATOM 0 H MET A 56 -0.688 10.836 1.664 1.00 0.00 H new ATOM 0 HA MET A 56 0.135 8.277 1.699 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.639 9.242 0.899 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.259 7.652 1.528 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.663 10.188 3.079 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.214 9.376 3.172 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.803 7.678 3.693 1.00 0.00 H new ATOM 0 HE2 MET A 56 0.393 9.405 3.563 1.00 0.00 H new ATOM 0 HE3 MET A 56 0.631 8.665 5.164 1.00 0.00 H new ATOM 787 N ASN A 57 -0.724 9.092 -1.358 1.00 0.00 N ATOM 788 CA ASN A 57 -0.667 8.664 -2.751 1.00 0.00 C ATOM 789 C ASN A 57 0.719 8.128 -3.099 1.00 0.00 C ATOM 790 O ASN A 57 0.882 6.943 -3.386 1.00 0.00 O ATOM 791 CB ASN A 57 -1.024 9.827 -3.679 1.00 0.00 C ATOM 792 CG ASN A 57 -1.054 9.415 -5.138 1.00 0.00 C ATOM 793 OD1 ASN A 57 -1.184 8.233 -5.458 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.934 10.390 -6.031 1.00 0.00 N ATOM 0 H ASN A 57 -1.002 10.065 -1.227 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.393 7.862 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.998 10.227 -3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.299 10.630 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.948 10.173 -7.028 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.828 11.356 -5.720 1.00 0.00 H new ATOM 801 N GLU A 58 1.713 9.011 -3.071 1.00 0.00 N ATOM 802 CA GLU A 58 3.084 8.625 -3.383 1.00 0.00 C ATOM 803 C GLU A 58 3.518 7.427 -2.544 1.00 0.00 C ATOM 804 O GLU A 58 4.238 6.549 -3.020 1.00 0.00 O ATOM 805 CB GLU A 58 4.035 9.800 -3.144 1.00 0.00 C ATOM 806 CG GLU A 58 4.479 9.938 -1.697 1.00 0.00 C ATOM 807 CD GLU A 58 5.606 10.939 -1.526 1.00 0.00 C ATOM 808 OE1 GLU A 58 5.333 12.156 -1.578 1.00 0.00 O ATOM 809 OE2 GLU A 58 6.762 10.503 -1.340 1.00 0.00 O ATOM 0 H GLU A 58 1.594 9.996 -2.836 1.00 0.00 H new ATOM 0 HA GLU A 58 3.123 8.342 -4.435 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.915 9.679 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.545 10.723 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.629 10.246 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.802 8.966 -1.326 1.00 0.00 H new ATOM 816 N VAL A 59 3.074 7.398 -1.291 1.00 0.00 N ATOM 817 CA VAL A 59 3.414 6.308 -0.385 1.00 0.00 C ATOM 818 C VAL A 59 2.859 4.980 -0.888 1.00 0.00 C ATOM 819 O VAL A 59 3.489 3.934 -0.734 1.00 0.00 O ATOM 820 CB VAL A 59 2.878 6.570 1.035 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.205 5.403 1.954 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.446 7.869 1.587 1.00 0.00 C ATOM 0 H VAL A 59 2.478 8.117 -0.881 1.00 0.00 H new ATOM 0 HA VAL A 59 4.502 6.254 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 59 1.794 6.667 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.818 5.607 2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.746 4.494 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.286 5.271 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.057 8.039 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.533 7.803 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.155 8.697 0.940 1.00 0.00 H new ATOM 832 N MET A 60 1.676 5.030 -1.492 1.00 0.00 N ATOM 833 CA MET A 60 1.037 3.831 -2.020 1.00 0.00 C ATOM 834 C MET A 60 1.752 3.341 -3.275 1.00 0.00 C ATOM 835 O MET A 60 2.103 2.166 -3.382 1.00 0.00 O ATOM 836 CB MET A 60 -0.435 4.108 -2.333 1.00 0.00 C ATOM 837 CG MET A 60 -1.322 4.148 -1.100 1.00 0.00 C ATOM 838 SD MET A 60 -2.962 4.812 -1.444 1.00 0.00 S ATOM 839 CE MET A 60 -3.610 3.559 -2.548 1.00 0.00 C ATOM 0 H MET A 60 1.141 5.888 -1.628 1.00 0.00 H new ATOM 0 HA MET A 60 1.100 3.052 -1.260 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.513 5.060 -2.858 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.805 3.339 -3.011 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.420 3.141 -0.695 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.842 4.755 -0.332 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.275 4.024 -3.276 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.786 3.071 -3.068 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.165 2.818 -1.972 1.00 0.00 H new ATOM 849 N ALA A 61 1.966 4.249 -4.221 1.00 0.00 N ATOM 850 CA ALA A 61 2.641 3.909 -5.468 1.00 0.00 C ATOM 851 C ALA A 61 3.917 3.117 -5.202 1.00 0.00 C ATOM 852 O ALA A 61 4.077 2.000 -5.691 1.00 0.00 O ATOM 853 CB ALA A 61 2.955 5.170 -6.259 1.00 0.00 C ATOM 0 H ALA A 61 1.682 5.226 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 61 1.971 3.282 -6.057 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.459 4.901 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.028 5.696 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.603 5.818 -5.669 1.00 0.00 H new ATOM 859 N GLU A 62 4.822 3.705 -4.426 1.00 0.00 N ATOM 860 CA GLU A 62 6.084 3.053 -4.097 1.00 0.00 C ATOM 861 C GLU A 62 5.845 1.651 -3.544 1.00 0.00 C ATOM 862 O GLU A 62 6.651 0.743 -3.753 1.00 0.00 O ATOM 863 CB GLU A 62 6.866 3.888 -3.081 1.00 0.00 C ATOM 864 CG GLU A 62 7.195 5.289 -3.568 1.00 0.00 C ATOM 865 CD GLU A 62 8.008 5.285 -4.848 1.00 0.00 C ATOM 866 OE1 GLU A 62 9.055 4.605 -4.883 1.00 0.00 O ATOM 867 OE2 GLU A 62 7.599 5.962 -5.814 1.00 0.00 O ATOM 0 H GLU A 62 4.705 4.631 -4.014 1.00 0.00 H new ATOM 0 HA GLU A 62 6.669 2.968 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.287 3.959 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.794 3.371 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.269 5.840 -3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.748 5.819 -2.792 1.00 0.00 H new ATOM 874 N LEU A 63 4.733 1.482 -2.837 1.00 0.00 N ATOM 875 CA LEU A 63 4.387 0.191 -2.253 1.00 0.00 C ATOM 876 C LEU A 63 3.876 -0.771 -3.321 1.00 0.00 C ATOM 877 O LEU A 63 4.154 -1.969 -3.275 1.00 0.00 O ATOM 878 CB LEU A 63 3.328 0.370 -1.163 1.00 0.00 C ATOM 879 CG LEU A 63 3.824 0.937 0.168 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.651 1.373 1.032 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.677 -0.089 0.900 1.00 0.00 C ATOM 0 H LEU A 63 4.056 2.223 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 63 5.288 -0.233 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.548 1.027 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.864 -0.598 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 63 4.441 1.811 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.023 1.774 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.081 2.142 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.007 0.516 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.021 0.332 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.084 -0.982 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.538 -0.352 0.285 1.00 0.00 H new ATOM 893 N ALA A 64 3.130 -0.237 -4.282 1.00 0.00 N ATOM 894 CA ALA A 64 2.584 -1.048 -5.364 1.00 0.00 C ATOM 895 C ALA A 64 3.666 -1.916 -5.999 1.00 0.00 C ATOM 896 O ALA A 64 3.551 -3.141 -6.035 1.00 0.00 O ATOM 897 CB ALA A 64 1.935 -0.158 -6.414 1.00 0.00 C ATOM 0 H ALA A 64 2.890 0.753 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 64 1.825 -1.708 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.532 -0.776 -7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.128 0.415 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.680 0.525 -6.822 1.00 0.00 H new ATOM 903 N LYS A 65 4.716 -1.273 -6.499 1.00 0.00 N ATOM 904 CA LYS A 65 5.819 -1.986 -7.132 1.00 0.00 C ATOM 905 C LYS A 65 6.530 -2.889 -6.130 1.00 0.00 C ATOM 906 O LYS A 65 6.722 -4.078 -6.380 1.00 0.00 O ATOM 907 CB LYS A 65 6.814 -0.993 -7.737 1.00 0.00 C ATOM 908 CG LYS A 65 7.329 0.033 -6.743 1.00 0.00 C ATOM 909 CD LYS A 65 7.889 1.258 -7.446 1.00 0.00 C ATOM 910 CE LYS A 65 6.816 2.313 -7.667 1.00 0.00 C ATOM 911 NZ LYS A 65 6.094 2.108 -8.953 1.00 0.00 N ATOM 0 H LYS A 65 4.826 -0.259 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 65 5.408 -2.609 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.660 -1.544 -8.149 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.337 -0.474 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.520 0.333 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.104 -0.417 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.700 1.681 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.316 0.965 -8.405 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.104 2.285 -6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.273 3.303 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.699 3.014 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.755 1.742 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.323 1.425 -8.813 1.00 0.00 H new ATOM 925 N GLU A 66 6.918 -2.316 -4.995 1.00 0.00 N ATOM 926 CA GLU A 66 7.607 -3.070 -3.955 1.00 0.00 C ATOM 927 C GLU A 66 6.877 -4.377 -3.656 1.00 0.00 C ATOM 928 O GLU A 66 7.501 -5.426 -3.490 1.00 0.00 O ATOM 929 CB GLU A 66 7.722 -2.235 -2.678 1.00 0.00 C ATOM 930 CG GLU A 66 8.356 -2.982 -1.517 1.00 0.00 C ATOM 931 CD GLU A 66 9.844 -3.202 -1.708 1.00 0.00 C ATOM 932 OE1 GLU A 66 10.255 -3.537 -2.838 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.598 -3.038 -0.725 1.00 0.00 O ATOM 0 H GLU A 66 6.767 -1.332 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 66 8.608 -3.306 -4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.311 -1.342 -2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.728 -1.899 -2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.190 -2.423 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.862 -3.946 -1.397 1.00 0.00 H new ATOM 940 N LEU A 67 5.552 -4.305 -3.590 1.00 0.00 N ATOM 941 CA LEU A 67 4.736 -5.482 -3.311 1.00 0.00 C ATOM 942 C LEU A 67 3.846 -5.822 -4.502 1.00 0.00 C ATOM 943 O LEU A 67 2.715 -5.350 -4.618 1.00 0.00 O ATOM 944 CB LEU A 67 3.876 -5.247 -2.068 1.00 0.00 C ATOM 945 CG LEU A 67 4.607 -4.705 -0.838 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.636 -3.990 0.088 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.319 -5.831 -0.102 1.00 0.00 C ATOM 0 H LEU A 67 5.020 -3.445 -3.726 1.00 0.00 H new ATOM 0 HA LEU A 67 5.405 -6.323 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.079 -4.550 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.400 -6.189 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 67 5.355 -3.986 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.174 -3.611 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.173 -3.158 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.864 -4.687 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.834 -5.427 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.589 -6.574 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.045 -6.299 -0.767 1.00 0.00 H new ATOM 959 N PRO A 68 4.366 -6.662 -5.408 1.00 0.00 N ATOM 960 CA PRO A 68 3.634 -7.087 -6.606 1.00 0.00 C ATOM 961 C PRO A 68 2.466 -8.010 -6.274 1.00 0.00 C ATOM 962 O PRO A 68 1.575 -8.217 -7.097 1.00 0.00 O ATOM 963 CB PRO A 68 4.692 -7.834 -7.422 1.00 0.00 C ATOM 964 CG PRO A 68 5.681 -8.310 -6.414 1.00 0.00 C ATOM 965 CD PRO A 68 5.708 -7.264 -5.334 1.00 0.00 C ATOM 0 HA PRO A 68 3.188 -6.243 -7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.253 -8.668 -7.971 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.160 -7.179 -8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.391 -9.280 -6.010 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.667 -8.433 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.898 -7.703 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.490 -6.525 -5.510 1.00 0.00 H new ATOM 973 N GLN A 69 2.479 -8.562 -5.065 1.00 0.00 N ATOM 974 CA GLN A 69 1.420 -9.463 -4.627 1.00 0.00 C ATOM 975 C GLN A 69 0.331 -8.701 -3.879 1.00 0.00 C ATOM 976 O GLN A 69 -0.457 -9.290 -3.138 1.00 0.00 O ATOM 977 CB GLN A 69 1.995 -10.563 -3.732 1.00 0.00 C ATOM 978 CG GLN A 69 2.541 -10.048 -2.410 1.00 0.00 C ATOM 979 CD GLN A 69 3.544 -10.997 -1.783 1.00 0.00 C ATOM 980 OE1 GLN A 69 3.704 -12.133 -2.231 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.225 -10.535 -0.741 1.00 0.00 N ATOM 0 H GLN A 69 3.210 -8.401 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 69 0.977 -9.919 -5.512 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.218 -11.301 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.792 -11.077 -4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.014 -9.079 -2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.715 -9.889 -1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.060 -9.587 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.913 -11.128 -0.278 1.00 0.00 H new ATOM 990 N VAL A 70 0.292 -7.387 -4.077 1.00 0.00 N ATOM 991 CA VAL A 70 -0.700 -6.544 -3.422 1.00 0.00 C ATOM 992 C VAL A 70 -1.392 -5.629 -4.426 1.00 0.00 C ATOM 993 O VAL A 70 -0.752 -5.071 -5.317 1.00 0.00 O ATOM 994 CB VAL A 70 -0.064 -5.684 -2.314 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.094 -4.742 -1.710 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.554 -6.569 -1.242 1.00 0.00 C ATOM 0 H VAL A 70 0.937 -6.883 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.436 -7.212 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 70 0.728 -5.081 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.625 -4.143 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.485 -4.084 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.911 -5.323 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.999 -5.945 -0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.218 -7.200 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.325 -7.197 -1.689 1.00 0.00 H new ATOM 1006 N SER A 71 -2.704 -5.478 -4.274 1.00 0.00 N ATOM 1007 CA SER A 71 -3.485 -4.632 -5.169 1.00 0.00 C ATOM 1008 C SER A 71 -3.851 -3.315 -4.491 1.00 0.00 C ATOM 1009 O SER A 71 -4.586 -3.296 -3.503 1.00 0.00 O ATOM 1010 CB SER A 71 -4.755 -5.360 -5.615 1.00 0.00 C ATOM 1011 OG SER A 71 -4.441 -6.553 -6.311 1.00 0.00 O ATOM 0 H SER A 71 -3.248 -5.930 -3.540 1.00 0.00 H new ATOM 0 HA SER A 71 -2.875 -4.412 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.369 -5.594 -4.745 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.347 -4.706 -6.256 1.00 0.00 H new ATOM 0 HG SER A 71 -4.955 -7.297 -5.933 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.334 -2.216 -5.030 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.604 -0.894 -4.477 1.00 0.00 C ATOM 1019 C PHE A 72 -4.629 -0.149 -5.327 1.00 0.00 C ATOM 1020 O PHE A 72 -4.359 0.209 -6.474 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.311 -0.081 -4.387 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.323 -0.633 -3.400 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -1.360 -0.244 -2.071 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -0.357 -1.541 -3.802 1.00 0.00 C ATOM 1025 CE1 PHE A 72 -0.453 -0.750 -1.160 1.00 0.00 C ATOM 1026 CE2 PHE A 72 0.553 -2.051 -2.895 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.506 -1.654 -1.573 1.00 0.00 C ATOM 0 H PHE A 72 -2.726 -2.215 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.013 -1.023 -3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.846 -0.043 -5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.555 0.945 -4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.107 0.464 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.314 -1.854 -4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.494 -0.439 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.300 -2.760 -3.220 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.218 -2.050 -0.864 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.808 0.082 -4.757 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.874 0.784 -5.460 1.00 0.00 C ATOM 1039 C VAL A 73 -7.336 2.007 -4.676 1.00 0.00 C ATOM 1040 O VAL A 73 -7.609 1.925 -3.479 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.082 -0.137 -5.713 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.715 -1.241 -6.693 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.589 -0.722 -4.403 1.00 0.00 C ATOM 0 H VAL A 73 -6.048 -0.208 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.464 1.103 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.883 0.456 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.581 -1.882 -6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.403 -0.799 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.898 -1.834 -6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.443 -1.370 -4.600 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.795 -1.301 -3.932 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.893 0.086 -3.737 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.424 3.143 -5.361 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.856 4.385 -4.730 1.00 0.00 C ATOM 1055 C LYS A 74 -9.191 4.851 -5.304 1.00 0.00 C ATOM 1056 O LYS A 74 -9.411 4.795 -6.514 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.798 5.474 -4.924 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.529 5.808 -6.380 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.379 6.791 -6.523 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.867 8.231 -6.473 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.769 9.177 -6.128 1.00 0.00 N ATOM 0 H LYS A 74 -7.202 3.229 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.984 4.197 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.120 6.378 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.868 5.152 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.298 4.894 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.428 6.230 -6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.654 6.623 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.862 6.613 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.292 8.504 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.666 8.318 -5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.142 10.148 -6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.380 8.932 -5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.017 9.112 -6.844 1.00 0.00 H new ATOM 1075 N LEU A 75 -10.077 5.311 -4.428 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.390 5.788 -4.847 1.00 0.00 C ATOM 1077 C LEU A 75 -11.637 7.209 -4.351 1.00 0.00 C ATOM 1078 O LEU A 75 -11.176 7.590 -3.275 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.485 4.856 -4.325 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.919 5.374 -4.439 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.895 4.217 -4.582 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.274 6.228 -3.231 1.00 0.00 C ATOM 0 H LEU A 75 -9.910 5.364 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.416 5.793 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.417 3.911 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.281 4.640 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.991 5.995 -5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.910 4.605 -4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.653 3.646 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.822 3.569 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.298 6.588 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.185 5.630 -2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.594 7.078 -3.174 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.370 7.988 -5.141 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.680 9.366 -4.779 1.00 0.00 C ATOM 1096 C GLU A 76 -13.955 9.437 -3.944 1.00 0.00 C ATOM 1097 O GLU A 76 -15.061 9.309 -4.468 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.833 10.224 -6.037 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.749 11.718 -5.769 1.00 0.00 C ATOM 1100 CD GLU A 76 -12.947 12.547 -7.022 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -13.697 12.104 -7.916 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -12.350 13.641 -7.109 1.00 0.00 O ATOM 0 H GLU A 76 -12.760 7.688 -6.035 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.854 9.752 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.058 9.947 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.792 10.001 -6.505 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.503 11.994 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.777 11.951 -5.333 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.791 9.641 -2.641 1.00 0.00 N ATOM 1110 CA ALA A 77 -14.927 9.730 -1.733 1.00 0.00 C ATOM 1111 C ALA A 77 -16.037 10.591 -2.325 1.00 0.00 C ATOM 1112 O ALA A 77 -17.220 10.293 -2.162 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.486 10.286 -0.387 1.00 0.00 C ATOM 0 H ALA A 77 -12.882 9.748 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.322 8.725 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.345 10.347 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.733 9.629 0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.063 11.281 -0.525 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.647 11.660 -3.012 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.611 12.566 -3.627 1.00 0.00 C ATOM 1121 C GLU A 78 -17.089 12.021 -4.970 1.00 0.00 C ATOM 1122 O GLU A 78 -18.173 12.363 -5.441 1.00 0.00 O ATOM 1123 CB GLU A 78 -15.992 13.952 -3.818 1.00 0.00 C ATOM 1124 CG GLU A 78 -15.703 14.674 -2.513 1.00 0.00 C ATOM 1125 CD GLU A 78 -16.956 14.927 -1.696 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -17.955 15.405 -2.273 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -16.936 14.646 -0.479 1.00 0.00 O ATOM 0 H GLU A 78 -14.671 11.920 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.470 12.648 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.064 13.852 -4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.666 14.562 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.002 14.083 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.216 15.625 -2.728 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.270 11.171 -5.583 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.626 10.593 -6.866 1.00 0.00 C ATOM 1136 C GLY A 79 -17.610 9.447 -6.733 1.00 0.00 C ATOM 1137 O GLY A 79 -18.548 9.331 -7.521 1.00 0.00 O ATOM 0 H GLY A 79 -15.367 10.873 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.057 11.366 -7.502 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.724 10.237 -7.364 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.395 8.597 -5.734 1.00 0.00 N ATOM 1142 CA VAL A 80 -18.269 7.454 -5.500 1.00 0.00 C ATOM 1143 C VAL A 80 -18.884 7.508 -4.106 1.00 0.00 C ATOM 1144 O VAL A 80 -18.409 6.869 -3.167 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.511 6.124 -5.664 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.460 4.945 -5.509 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.804 6.077 -7.011 1.00 0.00 C ATOM 0 H VAL A 80 -16.622 8.679 -5.073 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.062 7.505 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.756 6.057 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.906 4.014 -5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.915 4.972 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -19.240 5.003 -6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.273 5.130 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.539 6.167 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -16.093 6.900 -7.078 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.966 8.288 -3.966 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.669 8.443 -2.689 1.00 0.00 C ATOM 1159 C PRO A 81 -21.409 7.175 -2.277 1.00 0.00 C ATOM 1160 O PRO A 81 -21.699 6.970 -1.099 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.662 9.575 -2.966 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.887 9.529 -4.438 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.586 9.078 -5.042 1.00 0.00 C ATOM 0 HA PRO A 81 -19.982 8.651 -1.868 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.593 9.428 -2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.259 10.540 -2.657 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.693 8.839 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -22.176 10.508 -4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.746 8.480 -5.939 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.962 9.924 -5.330 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.711 6.327 -3.256 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.418 5.079 -2.993 1.00 0.00 C ATOM 1173 C GLU A 82 -21.639 4.209 -2.010 1.00 0.00 C ATOM 1174 O GLU A 82 -22.165 3.796 -0.977 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.648 4.313 -4.297 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.218 2.920 -4.093 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.735 2.904 -4.090 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.337 3.927 -3.700 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.319 1.870 -4.476 1.00 0.00 O ATOM 0 H GLU A 82 -21.477 6.481 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.383 5.324 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -23.327 4.885 -4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.703 4.234 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.853 2.263 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.852 2.517 -3.149 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.381 3.934 -2.341 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.529 3.114 -1.489 1.00 0.00 C ATOM 1188 C VAL A 83 -19.265 3.799 -0.153 1.00 0.00 C ATOM 1189 O VAL A 83 -19.377 3.182 0.906 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.182 2.807 -2.171 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.268 2.041 -1.228 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.403 2.031 -3.461 1.00 0.00 C ATOM 0 H VAL A 83 -19.930 4.267 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.062 2.179 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.697 3.751 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.322 1.833 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.084 2.638 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.743 1.102 -0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.441 1.823 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.909 1.092 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.017 2.622 -4.140 1.00 0.00 H new ATOM 1202 N SER A 84 -18.913 5.080 -0.211 1.00 0.00 N ATOM 1203 CA SER A 84 -18.629 5.850 0.995 1.00 0.00 C ATOM 1204 C SER A 84 -19.779 5.741 1.992 1.00 0.00 C ATOM 1205 O SER A 84 -19.560 5.624 3.197 1.00 0.00 O ATOM 1206 CB SER A 84 -18.383 7.318 0.642 1.00 0.00 C ATOM 1207 OG SER A 84 -17.331 7.446 -0.299 1.00 0.00 O ATOM 0 H SER A 84 -18.818 5.606 -1.080 1.00 0.00 H new ATOM 0 HA SER A 84 -17.731 5.439 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.295 7.755 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.137 7.876 1.545 1.00 0.00 H new ATOM 0 HG SER A 84 -17.673 7.263 -1.199 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.005 5.780 1.479 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.190 5.686 2.324 1.00 0.00 C ATOM 1215 C GLU A 85 -22.210 4.366 3.088 1.00 0.00 C ATOM 1216 O GLU A 85 -22.228 4.348 4.319 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.458 5.819 1.478 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.643 6.386 2.243 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.393 7.795 2.743 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -23.878 8.620 1.959 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -24.713 8.074 3.917 1.00 0.00 O ATOM 0 H GLU A 85 -21.203 5.876 0.483 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.157 6.502 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.248 6.461 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.726 4.839 1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.522 6.384 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.868 5.738 3.090 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.207 3.261 2.349 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.225 1.935 2.955 1.00 0.00 C ATOM 1230 C LYS A 86 -21.265 1.865 4.138 1.00 0.00 C ATOM 1231 O LYS A 86 -21.676 1.602 5.269 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.851 0.874 1.918 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.814 -0.538 2.479 1.00 0.00 C ATOM 1234 CD LYS A 86 -21.072 -1.486 1.552 1.00 0.00 C ATOM 1235 CE LYS A 86 -21.915 -1.856 0.341 1.00 0.00 C ATOM 1236 NZ LYS A 86 -21.557 -3.198 -0.195 1.00 0.00 N ATOM 0 H LYS A 86 -22.192 3.258 1.329 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.235 1.741 3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.567 0.911 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.874 1.115 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.331 -0.530 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.832 -0.897 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -20.143 -1.021 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -20.799 -2.390 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -22.970 -1.844 0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.780 -1.106 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.154 -3.413 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.557 -3.202 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.710 -3.918 0.540 1.00 0.00 H new ATOM 1250 N TYR A 87 -19.985 2.103 3.872 1.00 0.00 N ATOM 1251 CA TYR A 87 -18.967 2.065 4.915 1.00 0.00 C ATOM 1252 C TYR A 87 -19.028 3.320 5.781 1.00 0.00 C ATOM 1253 O TYR A 87 -18.425 3.377 6.852 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.576 1.928 4.294 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.386 0.649 3.510 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -16.921 -0.505 4.128 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.672 0.595 2.151 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -16.745 -1.676 3.416 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -17.501 -0.572 1.432 1.00 0.00 C ATOM 1260 CZ TYR A 87 -17.037 -1.704 2.068 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.864 -2.868 1.354 1.00 0.00 O ATOM 0 H TYR A 87 -19.628 2.324 2.942 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.162 1.199 5.547 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.396 2.778 3.636 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -16.828 1.974 5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -16.693 -0.487 5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -18.034 1.480 1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -16.381 -2.564 3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -17.730 -0.598 0.377 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.918 -2.972 1.122 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.762 4.322 5.308 1.00 0.00 N ATOM 1272 CA GLU A 88 -19.903 5.576 6.039 1.00 0.00 C ATOM 1273 C GLU A 88 -18.556 6.280 6.175 1.00 0.00 C ATOM 1274 O GLU A 88 -18.262 6.888 7.205 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.499 5.321 7.425 1.00 0.00 C ATOM 1276 CG GLU A 88 -21.847 4.620 7.387 1.00 0.00 C ATOM 1277 CD GLU A 88 -22.378 4.304 8.772 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.021 3.237 9.315 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.151 5.123 9.312 1.00 0.00 O ATOM 0 H GLU A 88 -20.268 4.290 4.423 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.577 6.221 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.801 4.718 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.608 6.273 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.565 5.249 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.756 3.695 6.817 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.741 6.193 5.129 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.426 6.821 5.131 1.00 0.00 C ATOM 1288 C ILE A 89 -16.542 8.340 5.062 1.00 0.00 C ATOM 1289 O ILE A 89 -16.728 8.911 3.987 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.565 6.330 3.952 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.295 4.829 4.080 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.257 7.105 3.891 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.227 4.492 5.096 1.00 0.00 C ATOM 0 H ILE A 89 -17.969 5.694 4.269 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.943 6.537 6.066 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.111 6.505 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.220 4.324 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.996 4.438 3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.660 6.746 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.469 8.166 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.704 6.959 4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.088 3.411 5.133 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.289 4.968 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -14.532 4.853 6.078 1.00 0.00 H new ATOM 1305 N SER A 90 -16.430 8.990 6.216 1.00 0.00 N ATOM 1306 CA SER A 90 -16.525 10.443 6.288 1.00 0.00 C ATOM 1307 C SER A 90 -15.246 11.043 6.865 1.00 0.00 C ATOM 1308 O SER A 90 -15.291 11.992 7.648 1.00 0.00 O ATOM 1309 CB SER A 90 -17.726 10.856 7.141 1.00 0.00 C ATOM 1310 OG SER A 90 -18.180 12.151 6.790 1.00 0.00 O ATOM 0 H SER A 90 -16.273 8.533 7.114 1.00 0.00 H new ATOM 0 HA SER A 90 -16.660 10.824 5.276 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.534 10.136 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 90 -17.451 10.837 8.195 1.00 0.00 H new ATOM 0 HG SER A 90 -18.949 12.391 7.348 1.00 0.00 H new ATOM 1316 N SER A 91 -14.107 10.483 6.471 1.00 0.00 N ATOM 1317 CA SER A 91 -12.815 10.959 6.951 1.00 0.00 C ATOM 1318 C SER A 91 -11.686 10.461 6.054 1.00 0.00 C ATOM 1319 O SER A 91 -11.586 9.268 5.766 1.00 0.00 O ATOM 1320 CB SER A 91 -12.581 10.497 8.390 1.00 0.00 C ATOM 1321 OG SER A 91 -13.118 11.424 9.317 1.00 0.00 O ATOM 0 H SER A 91 -14.053 9.699 5.821 1.00 0.00 H new ATOM 0 HA SER A 91 -12.823 12.049 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.040 9.520 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.512 10.378 8.568 1.00 0.00 H new ATOM 0 HG SER A 91 -13.946 11.805 8.957 1.00 0.00 H new ATOM 1327 N VAL A 92 -10.835 11.384 5.617 1.00 0.00 N ATOM 1328 CA VAL A 92 -9.712 11.041 4.754 1.00 0.00 C ATOM 1329 C VAL A 92 -8.408 11.620 5.292 1.00 0.00 C ATOM 1330 O VAL A 92 -8.394 12.618 6.012 1.00 0.00 O ATOM 1331 CB VAL A 92 -9.931 11.549 3.317 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -10.865 10.619 2.557 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.477 12.969 3.332 1.00 0.00 C ATOM 0 H VAL A 92 -10.902 12.375 5.847 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.646 9.953 4.740 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.970 11.558 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.007 10.995 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.430 9.620 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -11.828 10.575 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.626 13.312 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.429 12.987 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.768 13.626 3.836 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.285 10.979 4.936 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.289 9.789 4.080 1.00 0.00 C ATOM 1345 C PRO A 93 -7.877 8.571 4.784 1.00 0.00 C ATOM 1346 O PRO A 93 -8.030 8.560 6.006 1.00 0.00 O ATOM 1347 CB PRO A 93 -5.806 9.567 3.775 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.085 10.193 4.918 1.00 0.00 C ATOM 1349 CD PRO A 93 -5.923 11.368 5.343 1.00 0.00 C ATOM 0 HA PRO A 93 -7.905 9.928 3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.573 8.505 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.523 10.028 2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.962 9.484 5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.086 10.513 4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.858 11.540 6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.604 12.288 4.853 1.00 0.00 H new ATOM 1357 N THR A 94 -8.204 7.544 4.006 1.00 0.00 N ATOM 1358 CA THR A 94 -8.776 6.321 4.555 1.00 0.00 C ATOM 1359 C THR A 94 -8.089 5.087 3.981 1.00 0.00 C ATOM 1360 O THR A 94 -7.551 5.123 2.874 1.00 0.00 O ATOM 1361 CB THR A 94 -10.287 6.231 4.272 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.851 7.545 4.199 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.994 5.430 5.356 1.00 0.00 C ATOM 0 H THR A 94 -8.082 7.535 2.993 1.00 0.00 H new ATOM 0 HA THR A 94 -8.617 6.354 5.633 1.00 0.00 H new ATOM 0 HB THR A 94 -10.426 5.723 3.318 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.012 7.883 5.105 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.060 5.380 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.583 4.421 5.390 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.846 5.914 6.321 1.00 0.00 H new ATOM 1371 N PHE A 95 -8.110 3.997 4.740 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.488 2.751 4.306 1.00 0.00 C ATOM 1373 C PHE A 95 -8.340 1.550 4.707 1.00 0.00 C ATOM 1374 O PHE A 95 -8.448 1.218 5.888 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.087 2.620 4.906 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.100 3.603 4.344 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.544 3.406 3.090 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.728 4.723 5.069 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.635 4.309 2.571 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.820 5.630 4.555 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.274 5.422 3.303 1.00 0.00 C ATOM 0 H PHE A 95 -8.551 3.951 5.659 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.409 2.772 3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.149 2.756 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.719 1.609 4.733 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.824 2.538 2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -5.153 4.890 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.207 4.144 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.538 6.499 5.131 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.566 6.129 2.898 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.943 0.903 3.716 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.786 -0.262 3.964 1.00 0.00 C ATOM 1393 C LEU A 96 -9.159 -1.522 3.377 1.00 0.00 C ATOM 1394 O LEU A 96 -9.180 -1.731 2.164 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.177 -0.045 3.367 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.080 0.941 4.109 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.418 1.079 3.400 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.282 0.498 5.551 1.00 0.00 C ATOM 0 H LEU A 96 -8.864 1.165 2.733 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.876 -0.392 5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.060 0.303 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.685 -1.008 3.321 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.593 1.916 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -14.046 1.785 3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.256 1.443 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.912 0.108 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.927 1.211 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.746 -0.488 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.317 0.453 6.056 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.604 -2.361 4.246 1.00 0.00 N ATOM 1411 CA PHE A 97 -7.973 -3.602 3.814 1.00 0.00 C ATOM 1412 C PHE A 97 -9.020 -4.675 3.531 1.00 0.00 C ATOM 1413 O PHE A 97 -9.572 -5.278 4.452 1.00 0.00 O ATOM 1414 CB PHE A 97 -6.992 -4.098 4.879 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.852 -3.153 5.130 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -5.985 -2.110 6.032 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -4.647 -3.308 4.463 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -4.937 -1.239 6.265 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -3.596 -2.441 4.693 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.741 -1.405 5.594 1.00 0.00 C ATOM 0 H PHE A 97 -8.579 -2.204 5.253 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.427 -3.401 2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.532 -4.259 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.592 -5.064 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.918 -1.976 6.559 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.528 -4.115 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -5.053 -0.430 6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.661 -2.574 4.168 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.921 -0.726 5.774 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.288 -4.909 2.250 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.270 -5.908 1.845 1.00 0.00 C ATOM 1432 C PHE A 98 -9.589 -7.228 1.493 1.00 0.00 C ATOM 1433 O PHE A 98 -8.763 -7.290 0.583 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.078 -5.403 0.648 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.077 -4.339 1.005 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.272 -4.672 1.622 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -11.821 -3.007 0.723 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -14.193 -3.695 1.952 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.738 -2.027 1.051 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.926 -2.371 1.665 1.00 0.00 C ATOM 0 H PHE A 98 -8.839 -4.421 1.475 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.945 -6.080 2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.393 -5.010 -0.103 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.601 -6.244 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.486 -5.706 1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -10.894 -2.732 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -15.120 -3.967 2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.526 -0.992 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.645 -1.606 1.920 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.943 -8.281 2.222 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.368 -9.601 1.988 1.00 0.00 C ATOM 1452 C LYS A 99 -10.454 -10.611 1.630 1.00 0.00 C ATOM 1453 O LYS A 99 -11.129 -11.147 2.507 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.605 -10.074 3.228 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.435 -10.988 2.909 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.174 -10.196 2.609 1.00 0.00 C ATOM 1457 CE LYS A 99 -4.927 -11.054 2.760 1.00 0.00 C ATOM 1458 NZ LYS A 99 -3.716 -10.230 3.025 1.00 0.00 N ATOM 0 H LYS A 99 -10.625 -8.246 2.980 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.676 -9.526 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.238 -9.204 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.294 -10.597 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.254 -11.656 3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.685 -11.614 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.224 -9.801 1.594 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.112 -9.341 3.282 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.070 -11.762 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.777 -11.639 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.869 -10.746 2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.787 -9.332 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.645 -10.036 4.044 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.614 -10.866 0.336 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.617 -11.813 -0.138 1.00 0.00 C ATOM 1474 C ASN A 100 -13.022 -11.238 0.011 1.00 0.00 C ATOM 1475 O ASN A 100 -13.925 -11.902 0.518 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.509 -13.131 0.633 1.00 0.00 C ATOM 1477 CG ASN A 100 -11.979 -14.319 -0.184 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -13.179 -14.517 -0.377 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.034 -15.116 -0.667 1.00 0.00 N ATOM 0 H ASN A 100 -10.062 -10.430 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.431 -12.002 -1.195 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.474 -13.288 0.935 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.101 -13.064 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -11.290 -15.932 -1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.052 -14.913 -0.482 1.00 0.00 H new ATOM 1486 N SER A 101 -13.198 -9.998 -0.435 1.00 0.00 N ATOM 1487 CA SER A 101 -14.492 -9.331 -0.349 1.00 0.00 C ATOM 1488 C SER A 101 -14.949 -9.217 1.102 1.00 0.00 C ATOM 1489 O SER A 101 -16.143 -9.270 1.393 1.00 0.00 O ATOM 1490 CB SER A 101 -15.537 -10.092 -1.166 1.00 0.00 C ATOM 1491 OG SER A 101 -15.359 -9.871 -2.555 1.00 0.00 O ATOM 0 H SER A 101 -12.461 -9.435 -0.859 1.00 0.00 H new ATOM 0 HA SER A 101 -14.383 -8.326 -0.758 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.464 -11.158 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 101 -16.537 -9.775 -0.869 1.00 0.00 H new ATOM 0 HG SER A 101 -14.407 -9.740 -2.746 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.988 -9.062 2.008 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.291 -8.941 3.429 1.00 0.00 C ATOM 1499 C GLN A 102 -13.259 -8.068 4.134 1.00 0.00 C ATOM 1500 O GLN A 102 -12.057 -8.323 4.056 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.337 -10.324 4.081 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.583 -11.122 3.730 1.00 0.00 C ATOM 1503 CD GLN A 102 -15.662 -12.439 4.476 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -15.525 -12.482 5.699 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -15.885 -13.523 3.742 1.00 0.00 N ATOM 0 H GLN A 102 -12.994 -9.017 1.783 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.268 -8.467 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.456 -10.889 3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.283 -10.208 5.163 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -16.467 -10.526 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.596 -11.315 2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.992 -13.441 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.949 -14.437 4.189 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.735 -7.036 4.822 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.854 -6.123 5.542 1.00 0.00 C ATOM 1516 C LYS A 103 -12.222 -6.815 6.746 1.00 0.00 C ATOM 1517 O LYS A 103 -12.924 -7.307 7.629 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.631 -4.887 6.000 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.755 -3.814 6.622 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.586 -2.681 7.200 1.00 0.00 C ATOM 1521 CE LYS A 103 -13.949 -2.942 8.654 1.00 0.00 C ATOM 1522 NZ LYS A 103 -12.901 -2.441 9.586 1.00 0.00 N ATOM 0 H LYS A 103 -14.727 -6.810 4.896 1.00 0.00 H new ATOM 0 HA LYS A 103 -12.059 -5.813 4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.159 -4.463 5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.387 -5.191 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.142 -4.254 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.073 -3.419 5.869 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.031 -1.746 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.496 -2.560 6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.899 -2.460 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.089 -4.012 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.186 -2.638 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.000 -2.919 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.785 -1.415 9.459 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.894 -6.846 6.774 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.169 -7.474 7.871 1.00 0.00 C ATOM 1538 C ILE A 104 -9.326 -6.454 8.629 1.00 0.00 C ATOM 1539 O ILE A 104 -9.064 -6.613 9.821 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.253 -8.605 7.366 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.191 -8.046 6.417 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -10.075 -9.683 6.674 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -7.022 -8.980 6.201 1.00 0.00 C ATOM 0 H ILE A 104 -10.299 -6.444 6.050 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.917 -7.895 8.543 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.748 -9.053 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.654 -7.828 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.822 -7.101 6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -9.414 -10.475 6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.797 -10.098 7.378 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.604 -9.249 5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.309 -8.519 5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.534 -9.179 7.155 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.379 -9.917 5.774 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.907 -5.405 7.930 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.097 -4.356 8.537 1.00 0.00 C ATOM 1557 C ASP A 105 -8.485 -2.985 7.992 1.00 0.00 C ATOM 1558 O ASP A 105 -9.101 -2.880 6.932 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.611 -4.618 8.283 1.00 0.00 C ATOM 1560 CG ASP A 105 -5.976 -5.457 9.374 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.325 -6.651 9.483 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.131 -4.920 10.120 1.00 0.00 O ATOM 0 H ASP A 105 -9.115 -5.259 6.942 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.281 -4.365 9.611 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.493 -5.124 7.325 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.085 -3.666 8.208 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.121 -1.938 8.725 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.433 -0.574 8.316 1.00 0.00 C ATOM 1569 C ARG A 106 -7.547 0.430 9.048 1.00 0.00 C ATOM 1570 O ARG A 106 -7.377 0.351 10.266 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.906 -0.262 8.585 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.238 1.219 8.518 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.585 1.518 9.157 1.00 0.00 C ATOM 1574 NE ARG A 106 -12.162 2.764 8.659 1.00 0.00 N ATOM 1575 CZ ARG A 106 -13.054 3.482 9.334 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.468 3.079 10.527 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.533 4.605 8.814 1.00 0.00 N ATOM 0 H ARG A 106 -7.610 -2.008 9.605 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.241 -0.490 7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.520 -0.796 7.860 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.175 -0.641 9.571 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.460 1.791 9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.248 1.544 7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.272 0.695 8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.467 1.580 10.239 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.864 3.101 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.102 2.216 10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.153 3.632 11.043 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.217 4.917 7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.217 5.156 9.332 1.00 0.00 H new ATOM 1591 N LEU A 107 -6.985 1.372 8.300 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.116 2.391 8.877 1.00 0.00 C ATOM 1593 C LEU A 107 -6.705 3.785 8.679 1.00 0.00 C ATOM 1594 O LEU A 107 -6.758 4.293 7.559 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.724 2.319 8.249 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.560 2.750 9.142 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.239 2.610 8.403 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.757 4.181 9.621 1.00 0.00 C ATOM 0 H LEU A 107 -7.116 1.452 7.292 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.034 2.200 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.546 1.294 7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.719 2.941 7.354 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.535 2.096 10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.423 2.921 9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.094 1.570 8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.252 3.238 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.919 4.471 10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.809 4.849 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.684 4.250 10.190 1.00 0.00 H new ATOM 1610 N ASP A 108 -7.144 4.397 9.773 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.725 5.734 9.720 1.00 0.00 C ATOM 1612 C ASP A 108 -6.677 6.795 10.037 1.00 0.00 C ATOM 1613 O ASP A 108 -6.018 6.741 11.075 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.894 5.844 10.700 1.00 0.00 C ATOM 1615 CG ASP A 108 -8.553 5.294 12.071 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -8.561 4.055 12.232 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -8.279 6.101 12.984 1.00 0.00 O ATOM 0 H ASP A 108 -7.109 3.989 10.707 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.092 5.904 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.189 6.889 10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.753 5.306 10.299 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.527 7.761 9.135 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.557 8.821 9.337 1.00 0.00 C ATOM 1624 C GLY A 109 -4.389 8.729 8.375 1.00 0.00 C ATOM 1625 O GLY A 109 -4.018 7.638 7.941 1.00 0.00 O ATOM 0 H GLY A 109 -7.060 7.828 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.048 9.787 9.216 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.185 8.779 10.361 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.809 9.876 8.039 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.677 9.920 7.122 1.00 0.00 C ATOM 1631 C ALA A 110 -1.394 9.469 7.813 1.00 0.00 C ATOM 1632 O ALA A 110 -0.642 10.288 8.344 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.509 11.323 6.557 1.00 0.00 C ATOM 0 H ALA A 110 -4.104 10.788 8.388 1.00 0.00 H new ATOM 0 HA ALA A 110 -2.879 9.232 6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.660 11.341 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.413 11.610 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.334 12.025 7.372 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.149 8.163 7.801 1.00 0.00 N ATOM 1640 CA HIS A 111 0.044 7.603 8.427 1.00 0.00 C ATOM 1641 C HIS A 111 0.958 6.968 7.383 1.00 0.00 C ATOM 1642 O HIS A 111 0.622 5.943 6.792 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.345 6.566 9.480 1.00 0.00 C ATOM 1644 CG HIS A 111 -1.184 7.123 10.589 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -2.518 7.059 10.807 1.00 0.00 N flip ATOM 1646 CD2 HIS A 111 -0.659 7.848 11.638 1.00 0.00 C flip ATOM 1647 CE1 HIS A 111 -2.772 7.739 11.973 1.00 0.00 C flip ATOM 1648 NE2 HIS A 111 -1.634 8.205 12.455 1.00 0.00 N flip ATOM 0 H HIS A 111 -1.760 7.473 7.365 1.00 0.00 H new ATOM 0 HA HIS A 111 0.585 8.416 8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -0.889 5.755 8.996 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.561 6.133 9.904 1.00 0.00 H new ATOM 0 HD2 HIS A 111 0.386 8.087 11.771 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -3.745 7.871 12.423 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -1.526 8.748 13.312 1.00 0.00 H new ATOM 1657 N ALA A 112 2.114 7.586 7.161 1.00 0.00 N ATOM 1658 CA ALA A 112 3.076 7.080 6.190 1.00 0.00 C ATOM 1659 C ALA A 112 3.628 5.725 6.619 1.00 0.00 C ATOM 1660 O ALA A 112 3.497 4.723 5.915 1.00 0.00 O ATOM 1661 CB ALA A 112 4.208 8.078 6.000 1.00 0.00 C ATOM 0 H ALA A 112 2.406 8.437 7.640 1.00 0.00 H new ATOM 0 HA ALA A 112 2.560 6.948 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.919 7.687 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.803 9.024 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.714 8.239 6.952 1.00 0.00 H new ATOM 1667 N PRO A 113 4.262 5.691 7.800 1.00 0.00 N ATOM 1668 CA PRO A 113 4.848 4.464 8.349 1.00 0.00 C ATOM 1669 C PRO A 113 3.787 3.457 8.779 1.00 0.00 C ATOM 1670 O PRO A 113 3.849 2.283 8.414 1.00 0.00 O ATOM 1671 CB PRO A 113 5.637 4.960 9.563 1.00 0.00 C ATOM 1672 CG PRO A 113 4.959 6.225 9.965 1.00 0.00 C ATOM 1673 CD PRO A 113 4.456 6.847 8.691 1.00 0.00 C ATOM 0 HA PRO A 113 5.457 3.939 7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.621 4.229 10.371 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.683 5.134 9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.137 6.026 10.653 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.651 6.893 10.479 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.526 7.392 8.850 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.174 7.556 8.279 1.00 0.00 H new ATOM 1681 N GLU A 114 2.814 3.924 9.555 1.00 0.00 N ATOM 1682 CA GLU A 114 1.739 3.062 10.034 1.00 0.00 C ATOM 1683 C GLU A 114 1.116 2.279 8.882 1.00 0.00 C ATOM 1684 O GLU A 114 0.707 1.129 9.047 1.00 0.00 O ATOM 1685 CB GLU A 114 0.666 3.893 10.740 1.00 0.00 C ATOM 1686 CG GLU A 114 -0.098 3.122 11.804 1.00 0.00 C ATOM 1687 CD GLU A 114 0.563 3.197 13.166 1.00 0.00 C ATOM 1688 OE1 GLU A 114 1.098 4.273 13.507 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.546 2.180 13.891 1.00 0.00 O ATOM 0 H GLU A 114 2.748 4.893 9.865 1.00 0.00 H new ATOM 0 HA GLU A 114 2.165 2.353 10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.136 4.762 11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.039 4.267 9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.112 3.515 11.874 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.181 2.078 11.502 1.00 0.00 H new ATOM 1696 N LEU A 115 1.045 2.910 7.715 1.00 0.00 N ATOM 1697 CA LEU A 115 0.471 2.274 6.535 1.00 0.00 C ATOM 1698 C LEU A 115 1.309 1.076 6.099 1.00 0.00 C ATOM 1699 O LEU A 115 0.831 -0.059 6.087 1.00 0.00 O ATOM 1700 CB LEU A 115 0.366 3.282 5.388 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.270 2.765 4.097 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.680 2.260 4.362 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.284 3.856 3.036 1.00 0.00 C ATOM 0 H LEU A 115 1.378 3.862 7.561 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.527 1.921 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.211 4.139 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.368 3.644 5.156 1.00 0.00 H new ATOM 0 HG LEU A 115 0.329 1.933 3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.117 1.896 3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.645 1.448 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.290 3.073 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.740 3.471 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.860 4.708 3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.738 4.172 2.825 1.00 0.00 H new ATOM 1715 N THR A 116 2.564 1.336 5.745 1.00 0.00 N ATOM 1716 CA THR A 116 3.470 0.280 5.310 1.00 0.00 C ATOM 1717 C THR A 116 3.381 -0.933 6.229 1.00 0.00 C ATOM 1718 O THR A 116 3.144 -2.053 5.775 1.00 0.00 O ATOM 1719 CB THR A 116 4.928 0.773 5.269 1.00 0.00 C ATOM 1720 OG1 THR A 116 5.045 1.884 4.373 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.864 -0.342 4.826 1.00 0.00 C ATOM 0 H THR A 116 2.976 2.269 5.751 1.00 0.00 H new ATOM 0 HA THR A 116 3.163 -0.006 4.304 1.00 0.00 H new ATOM 0 HB THR A 116 5.210 1.086 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.975 2.193 4.354 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.888 0.030 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.795 -1.175 5.526 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.580 -0.681 3.830 1.00 0.00 H new ATOM 1729 N LYS A 117 3.571 -0.704 7.524 1.00 0.00 N ATOM 1730 CA LYS A 117 3.511 -1.777 8.508 1.00 0.00 C ATOM 1731 C LYS A 117 2.349 -2.721 8.214 1.00 0.00 C ATOM 1732 O LYS A 117 2.548 -3.910 7.965 1.00 0.00 O ATOM 1733 CB LYS A 117 3.367 -1.198 9.917 1.00 0.00 C ATOM 1734 CG LYS A 117 4.689 -0.800 10.550 1.00 0.00 C ATOM 1735 CD LYS A 117 4.622 -0.857 12.066 1.00 0.00 C ATOM 1736 CE LYS A 117 4.175 0.473 12.655 1.00 0.00 C ATOM 1737 NZ LYS A 117 3.599 0.310 14.018 1.00 0.00 N ATOM 0 H LYS A 117 3.768 0.217 7.916 1.00 0.00 H new ATOM 0 HA LYS A 117 4.441 -2.343 8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.716 -0.325 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.876 -1.933 10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.478 -1.463 10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.955 0.209 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.930 -1.642 12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.601 -1.122 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.024 1.155 12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.433 0.930 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.307 1.238 14.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.773 -0.320 13.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.315 -0.102 14.650 1.00 0.00 H new ATOM 1751 N LYS A 118 1.134 -2.183 8.243 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.061 -2.975 7.977 1.00 0.00 C ATOM 1753 C LYS A 118 0.037 -3.668 6.622 1.00 0.00 C ATOM 1754 O LYS A 118 -0.091 -4.889 6.527 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.306 -2.087 8.020 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.842 -1.857 9.422 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.846 -0.717 9.456 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.168 -0.300 10.883 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.056 0.476 11.498 1.00 0.00 N ATOM 0 H LYS A 118 0.951 -1.201 8.448 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.141 -3.739 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.070 -1.124 7.568 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.088 -2.542 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.314 -2.770 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.015 -1.635 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.448 0.137 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.762 -1.022 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.077 0.301 10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.368 -1.187 11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.780 0.033 12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.241 0.486 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.370 1.452 11.674 1.00 0.00 H new ATOM 1773 N VAL A 119 0.265 -2.881 5.575 1.00 0.00 N ATOM 1774 CA VAL A 119 0.382 -3.419 4.225 1.00 0.00 C ATOM 1775 C VAL A 119 1.280 -4.651 4.201 1.00 0.00 C ATOM 1776 O VAL A 119 0.842 -5.742 3.836 1.00 0.00 O ATOM 1777 CB VAL A 119 0.945 -2.369 3.249 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.065 -2.951 1.849 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.070 -1.124 3.244 1.00 0.00 C ATOM 0 H VAL A 119 0.372 -1.869 5.636 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.623 -3.698 3.907 1.00 0.00 H new ATOM 0 HB VAL A 119 1.942 -2.084 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.464 -2.195 1.173 1.00 0.00 H new ATOM 0 HG12 VAL A 119 1.735 -3.810 1.868 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.081 -3.266 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.482 -0.392 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.940 -1.391 2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.040 -0.696 4.246 1.00 0.00 H new ATOM 1789 N GLN A 120 2.537 -4.469 4.592 1.00 0.00 N ATOM 1790 CA GLN A 120 3.496 -5.567 4.615 1.00 0.00 C ATOM 1791 C GLN A 120 2.952 -6.749 5.410 1.00 0.00 C ATOM 1792 O GLN A 120 2.859 -7.864 4.897 1.00 0.00 O ATOM 1793 CB GLN A 120 4.823 -5.100 5.217 1.00 0.00 C ATOM 1794 CG GLN A 120 5.464 -3.950 4.458 1.00 0.00 C ATOM 1795 CD GLN A 120 6.804 -3.542 5.039 1.00 0.00 C ATOM 1796 OE1 GLN A 120 6.898 -3.168 6.208 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.849 -3.613 4.224 1.00 0.00 N ATOM 0 H GLN A 120 2.915 -3.572 4.897 1.00 0.00 H new ATOM 0 HA GLN A 120 3.664 -5.890 3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.656 -4.794 6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.517 -5.940 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.597 -4.237 3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 120 4.791 -3.093 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.725 -3.929 3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.776 -3.352 4.560 1.00 0.00 H new ATOM 1806 N ARG A 121 2.593 -6.498 6.665 1.00 0.00 N ATOM 1807 CA ARG A 121 2.059 -7.542 7.531 1.00 0.00 C ATOM 1808 C ARG A 121 1.059 -8.414 6.777 1.00 0.00 C ATOM 1809 O ARG A 121 1.275 -9.613 6.600 1.00 0.00 O ATOM 1810 CB ARG A 121 1.389 -6.923 8.758 1.00 0.00 C ATOM 1811 CG ARG A 121 0.743 -7.945 9.680 1.00 0.00 C ATOM 1812 CD ARG A 121 -0.070 -7.272 10.775 1.00 0.00 C ATOM 1813 NE ARG A 121 -0.406 -8.197 11.854 1.00 0.00 N ATOM 1814 CZ ARG A 121 -1.357 -7.964 12.751 1.00 0.00 C ATOM 1815 NH1 ARG A 121 -2.063 -6.843 12.700 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -1.605 -8.855 13.704 1.00 0.00 N ATOM 0 H ARG A 121 2.662 -5.580 7.105 1.00 0.00 H new ATOM 0 HA ARG A 121 2.889 -8.169 7.857 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.132 -6.357 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.630 -6.213 8.428 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.098 -8.604 9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 121 1.515 -8.570 10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.493 -6.432 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.987 -6.865 10.348 1.00 0.00 H new ATOM 0 HE ARG A 121 0.118 -9.069 11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.877 -6.156 11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.793 -6.668 13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.065 -9.719 13.747 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -2.336 -8.675 14.393 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.037 -7.804 6.337 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.071 -8.524 5.603 1.00 0.00 C ATOM 1832 C HIS A 122 -0.491 -9.188 4.358 1.00 0.00 C ATOM 1833 O HIS A 122 -0.638 -10.394 4.160 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.202 -7.574 5.209 1.00 0.00 C ATOM 1835 CG HIS A 122 -2.807 -6.848 6.371 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.162 -7.474 7.547 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.118 -5.541 6.533 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -3.667 -6.583 8.382 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.651 -5.402 7.791 1.00 0.00 N ATOM 0 H HIS A 122 -0.232 -6.812 6.476 1.00 0.00 H new ATOM 0 HA HIS A 122 -1.470 -9.301 6.255 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -1.820 -6.845 4.494 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -2.981 -8.141 4.700 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -3.052 -8.469 7.742 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -2.974 -4.754 5.808 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.031 -6.786 9.378 1.00 0.00 H new ATOM 1848 N ALA A 123 0.168 -8.393 3.522 1.00 0.00 N ATOM 1849 CA ALA A 123 0.771 -8.904 2.297 1.00 0.00 C ATOM 1850 C ALA A 123 1.290 -10.324 2.492 1.00 0.00 C ATOM 1851 O ALA A 123 1.254 -11.140 1.571 1.00 0.00 O ATOM 1852 CB ALA A 123 1.897 -7.987 1.841 1.00 0.00 C ATOM 0 H ALA A 123 0.298 -7.392 3.671 1.00 0.00 H new ATOM 0 HA ALA A 123 0.002 -8.929 1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.338 -8.380 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.500 -6.989 1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.660 -7.934 2.618 1.00 0.00 H new