USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 LYS NZ :NH3+ 171:sc= -0.952! (180deg=-1.77!) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.32 K(o=1.5,f=-13!) USER MOD Set 1.3: B 84 THR OG1 : rot 68:sc= 1.15 USER MOD Set 2.1: B 66 GLN :FLIP amide:sc= 0.801 F(o=-2,f=-0.59) USER MOD Set 2.2: B 76 ASN :FLIP amide:sc= -1.39 F(o=-2!,f=-0.59) USER MOD Set 3.1: B 56 SER OG : rot 138:sc= -0.706 USER MOD Set 3.2: B 64 GLN : amide:sc= -3.03! K(o=-4.1!,f=-5.8) USER MOD Set 3.3: B 78 HIS :FLIP no HD1:sc= -0.347 F(o=-5.5,f=-4.1) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -0.935! K(o=0.092!,f=-2) USER MOD Set 4.2: B 75 THR OG1 : rot -131:sc= 1.03 USER MOD Set 5.1: B 13 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0) USER MOD Set 5.2: B 25 TYR OH : rot 130:sc= 1.03 USER MOD Set 6.1: A 414 LYS NZ :NH3+ -117:sc= 0.778 (180deg=-2.04) USER MOD Set 6.2: B 97 GLN : amide:sc= -5.45! C(o=-4.7!,f=-16!) USER MOD Single : B 17 GLN : amide:sc= -0.0713 X(o=-0.071,f=0.023) USER MOD Single : B 18 LYS NZ :NH3+ -165:sc= 0.541 (180deg=-0.267!) USER MOD Single : B 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0417) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.297 F(o=-1.9!,f=-0.3) USER MOD Single : B 27 MET CE :methyl 172:sc=-0.00597 (180deg=-0.11) USER MOD Single : B 42 THR OG1 : rot -26:sc= 0.0388 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -156:sc= -0.178 (180deg=-0.974) USER MOD Single : B 47 TYR OH : rot 153:sc= 0.682 USER MOD Single : B 51 LYS NZ :NH3+ -150:sc= 2.23 (180deg=1.36) USER MOD Single : B 52 CYS SG : rot 127:sc= 1.07 USER MOD Single : B 53 GLN :FLIP amide:sc= -4.97! C(o=-6!,f=-5!) USER MOD Single : B 54 LYS NZ :NH3+ 156:sc= 0.289 (180deg=-2.42!) USER MOD Single : B 60 LYS NZ :NH3+ -146:sc= 0.919 (180deg=-1.18!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc= 0.203 K(o=0.2,f=-1.9) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 SER OG : rot 144:sc= 0.195 USER MOD Single : B 83 SER OG : rot 68:sc= 1.03 USER MOD Single : B 87 LYS NZ :NH3+ 154:sc= 1.27 (180deg=1.13) USER MOD Single : B 93 LYS NZ :NH3+ -175:sc= 2.24 (180deg=2.14) USER MOD Single : B 98 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 9.717 9.513 11.995 1.00 0.00 N ATOM 230 CA ASP A 405 9.713 8.070 12.219 1.00 0.00 C ATOM 231 C ASP A 405 8.719 7.718 13.303 1.00 0.00 C ATOM 232 O ASP A 405 8.377 6.552 13.505 1.00 0.00 O ATOM 233 CB ASP A 405 11.112 7.564 12.593 1.00 0.00 C ATOM 234 CG ASP A 405 12.058 7.531 11.407 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.594 7.287 10.275 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.273 7.765 11.597 1.00 0.00 O ATOM 0 HA ASP A 405 9.417 7.581 11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.531 8.205 13.369 1.00 0.00 H new ATOM 0 HB3 ASP A 405 11.031 6.563 13.016 1.00 0.00 H new ATOM 241 N GLU A 406 8.243 8.739 13.989 1.00 0.00 N ATOM 242 CA GLU A 406 7.275 8.556 15.046 1.00 0.00 C ATOM 243 C GLU A 406 6.010 9.323 14.744 1.00 0.00 C ATOM 244 O GLU A 406 5.908 9.994 13.716 1.00 0.00 O ATOM 245 CB GLU A 406 7.821 9.007 16.403 1.00 0.00 C ATOM 246 CG GLU A 406 8.871 10.105 16.334 1.00 0.00 C ATOM 247 CD GLU A 406 8.425 11.340 15.581 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.661 11.411 14.355 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.848 12.246 16.205 1.00 0.00 O ATOM 0 H GLU A 406 8.515 9.709 13.829 1.00 0.00 H new ATOM 0 HA GLU A 406 7.058 7.489 15.098 1.00 0.00 H new ATOM 0 HB2 GLU A 406 6.990 9.356 17.016 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.251 8.144 16.911 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.149 10.392 17.348 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.767 9.707 15.859 1.00 0.00 H new ATOM 256 N ASP A 407 5.063 9.215 15.659 1.00 0.00 N ATOM 257 CA ASP A 407 3.789 9.872 15.546 1.00 0.00 C ATOM 258 C ASP A 407 3.055 9.402 14.305 1.00 0.00 C ATOM 259 O ASP A 407 2.853 10.161 13.367 1.00 0.00 O ATOM 260 CB ASP A 407 3.912 11.389 15.577 1.00 0.00 C ATOM 261 CG ASP A 407 2.596 12.066 15.915 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.567 13.313 15.968 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.595 11.348 16.135 1.00 0.00 O ATOM 0 H ASP A 407 5.166 8.660 16.509 1.00 0.00 H new ATOM 0 HA ASP A 407 3.202 9.593 16.421 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.665 11.675 16.311 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.262 11.743 14.607 1.00 0.00 H new ATOM 268 N PHE A 408 2.754 8.108 14.273 1.00 0.00 N ATOM 269 CA PHE A 408 1.996 7.518 13.195 1.00 0.00 C ATOM 270 C PHE A 408 0.779 6.873 13.810 1.00 0.00 C ATOM 271 O PHE A 408 0.885 6.062 14.731 1.00 0.00 O ATOM 272 CB PHE A 408 2.799 6.459 12.419 1.00 0.00 C ATOM 273 CG PHE A 408 3.852 6.999 11.494 1.00 0.00 C ATOM 274 CD1 PHE A 408 4.986 7.624 11.981 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.706 6.865 10.126 1.00 0.00 C ATOM 276 CE1 PHE A 408 5.945 8.108 11.118 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.661 7.346 9.261 1.00 0.00 C ATOM 278 CZ PHE A 408 5.780 7.968 9.757 1.00 0.00 C ATOM 0 H PHE A 408 3.032 7.446 14.997 1.00 0.00 H new ATOM 0 HA PHE A 408 1.732 8.296 12.479 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.277 5.792 13.137 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.103 5.855 11.837 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.121 7.734 13.047 1.00 0.00 H new ATOM 0 HD2 PHE A 408 2.829 6.375 9.730 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.826 8.597 11.508 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.531 7.235 8.195 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.531 8.348 9.080 1.00 0.00 H new ATOM 288 N VAL A 409 -0.364 7.238 13.300 1.00 0.00 N ATOM 289 CA VAL A 409 -1.603 6.728 13.788 1.00 0.00 C ATOM 290 C VAL A 409 -1.900 5.426 13.110 1.00 0.00 C ATOM 291 O VAL A 409 -1.978 5.354 11.888 1.00 0.00 O ATOM 292 CB VAL A 409 -2.694 7.784 13.602 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.420 8.834 14.607 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.663 8.422 12.250 1.00 0.00 C ATOM 0 H VAL A 409 -0.457 7.901 12.531 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.553 6.520 14.857 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.670 7.310 13.711 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.169 9.621 14.524 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.458 8.400 15.606 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.430 9.256 14.432 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.460 9.162 12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.700 8.910 12.100 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.806 7.659 11.484 1.00 0.00 H new ATOM 304 N GLU A 410 -2.019 4.395 13.916 1.00 0.00 N ATOM 305 CA GLU A 410 -2.229 3.068 13.401 1.00 0.00 C ATOM 306 C GLU A 410 -3.444 3.003 12.493 1.00 0.00 C ATOM 307 O GLU A 410 -4.554 3.379 12.872 1.00 0.00 O ATOM 308 CB GLU A 410 -2.359 2.044 14.520 1.00 0.00 C ATOM 309 CG GLU A 410 -2.146 0.620 14.032 1.00 0.00 C ATOM 310 CD GLU A 410 -0.894 -0.011 14.607 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.153 -0.678 13.853 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.609 0.193 15.806 1.00 0.00 O ATOM 0 H GLU A 410 -1.973 4.454 14.933 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.347 2.821 12.811 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.633 2.270 15.301 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.348 2.126 14.971 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -3.011 0.014 14.302 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -2.083 0.618 12.944 1.00 0.00 H new ATOM 319 N VAL A 411 -3.198 2.541 11.292 1.00 0.00 N ATOM 320 CA VAL A 411 -4.218 2.382 10.298 1.00 0.00 C ATOM 321 C VAL A 411 -4.742 0.955 10.366 1.00 0.00 C ATOM 322 O VAL A 411 -4.004 -0.008 10.095 1.00 0.00 O ATOM 323 CB VAL A 411 -3.689 2.694 8.883 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.836 2.780 7.899 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.916 3.969 8.896 1.00 0.00 C ATOM 0 H VAL A 411 -2.269 2.262 10.978 1.00 0.00 H new ATOM 0 HA VAL A 411 -5.022 3.089 10.501 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.027 1.887 8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.447 3.001 6.905 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.369 1.829 7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.519 3.572 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.547 4.181 7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.562 4.783 9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.073 3.876 9.581 1.00 0.00 H new ATOM 335 N PRO A 412 -6.006 0.811 10.788 1.00 0.00 N ATOM 336 CA PRO A 412 -6.669 -0.487 10.919 1.00 0.00 C ATOM 337 C PRO A 412 -7.006 -1.087 9.566 1.00 0.00 C ATOM 338 O PRO A 412 -6.844 -0.435 8.539 1.00 0.00 O ATOM 339 CB PRO A 412 -7.951 -0.147 11.681 1.00 0.00 C ATOM 340 CG PRO A 412 -8.237 1.263 11.299 1.00 0.00 C ATOM 341 CD PRO A 412 -6.896 1.923 11.171 1.00 0.00 C ATOM 0 HA PRO A 412 -6.041 -1.225 11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.769 -0.810 11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.814 -0.248 12.758 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.789 1.311 10.361 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.848 1.758 12.054 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.905 2.709 10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.583 2.384 12.108 1.00 0.00 H new ATOM 349 N GLU A 413 -7.481 -2.320 9.572 1.00 0.00 N ATOM 350 CA GLU A 413 -7.840 -3.007 8.342 1.00 0.00 C ATOM 351 C GLU A 413 -9.341 -2.922 8.091 1.00 0.00 C ATOM 352 O GLU A 413 -10.123 -2.694 9.014 1.00 0.00 O ATOM 353 CB GLU A 413 -7.433 -4.473 8.411 1.00 0.00 C ATOM 354 CG GLU A 413 -6.037 -4.705 8.952 1.00 0.00 C ATOM 355 CD GLU A 413 -5.739 -6.177 9.098 1.00 0.00 C ATOM 356 OE1 GLU A 413 -5.985 -6.735 10.189 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.302 -6.794 8.112 1.00 0.00 O ATOM 0 H GLU A 413 -7.628 -2.869 10.419 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.310 -2.518 7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.147 -5.008 9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.500 -4.904 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.306 -4.249 8.284 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.934 -4.214 9.920 1.00 0.00 H new ATOM 364 N LYS A 414 -9.731 -3.086 6.836 1.00 0.00 N ATOM 365 CA LYS A 414 -11.134 -3.052 6.456 1.00 0.00 C ATOM 366 C LYS A 414 -11.568 -4.394 5.890 1.00 0.00 C ATOM 367 O LYS A 414 -12.707 -4.817 6.086 1.00 0.00 O ATOM 368 CB LYS A 414 -11.390 -1.950 5.439 1.00 0.00 C ATOM 369 CG LYS A 414 -11.709 -0.617 6.084 1.00 0.00 C ATOM 370 CD LYS A 414 -10.890 0.494 5.470 1.00 0.00 C ATOM 371 CE LYS A 414 -11.277 0.744 4.028 1.00 0.00 C ATOM 372 NZ LYS A 414 -10.598 1.944 3.480 1.00 0.00 N ATOM 0 H LYS A 414 -9.090 -3.245 6.059 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.721 -2.843 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.513 -1.839 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.218 -2.243 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.770 -0.398 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.510 -0.671 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -11.027 1.408 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.832 0.238 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.020 -0.127 3.425 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.357 0.873 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.309 2.660 3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -9.953 2.335 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.055 1.679 2.633 1.00 0.00 H new ATOM 786 N VAL B 8 -0.318 -2.066 -11.181 1.00 0.00 N ATOM 787 CA VAL B 8 -0.315 -0.984 -10.219 1.00 0.00 C ATOM 788 C VAL B 8 -1.725 -0.444 -10.044 1.00 0.00 C ATOM 789 O VAL B 8 -2.243 0.258 -10.910 1.00 0.00 O ATOM 790 CB VAL B 8 0.623 0.162 -10.646 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.823 1.136 -9.498 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.960 -0.380 -11.126 1.00 0.00 C ATOM 0 HA VAL B 8 0.052 -1.386 -9.275 1.00 0.00 H new ATOM 0 HB VAL B 8 0.157 0.693 -11.476 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.488 1.940 -9.814 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.139 1.555 -9.205 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.265 0.613 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.604 0.449 -11.422 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.436 -0.940 -10.321 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.800 -1.038 -11.980 1.00 0.00 H new ATOM 802 N LEU B 9 -2.344 -0.791 -8.927 1.00 0.00 N ATOM 803 CA LEU B 9 -3.699 -0.354 -8.634 1.00 0.00 C ATOM 804 C LEU B 9 -3.704 1.093 -8.158 1.00 0.00 C ATOM 805 O LEU B 9 -4.658 1.831 -8.394 1.00 0.00 O ATOM 806 CB LEU B 9 -4.336 -1.248 -7.564 1.00 0.00 C ATOM 807 CG LEU B 9 -4.104 -2.752 -7.728 1.00 0.00 C ATOM 808 CD1 LEU B 9 -4.688 -3.505 -6.545 1.00 0.00 C ATOM 809 CD2 LEU B 9 -4.712 -3.258 -9.030 1.00 0.00 C ATOM 0 H LEU B 9 -1.926 -1.378 -8.205 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.282 -0.429 -9.552 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.954 -0.945 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.410 -1.064 -7.556 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.029 -2.930 -7.764 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.517 -4.574 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.208 -3.168 -5.626 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.759 -3.314 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.533 -4.329 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.785 -3.068 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.253 -2.739 -9.872 1.00 0.00 H new ATOM 821 N LEU B 10 -2.634 1.493 -7.483 1.00 0.00 N ATOM 822 CA LEU B 10 -2.537 2.857 -6.973 1.00 0.00 C ATOM 823 C LEU B 10 -1.173 3.463 -7.268 1.00 0.00 C ATOM 824 O LEU B 10 -0.144 2.923 -6.862 1.00 0.00 O ATOM 825 CB LEU B 10 -2.801 2.875 -5.470 1.00 0.00 C ATOM 826 CG LEU B 10 -3.184 4.243 -4.901 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.603 4.621 -5.294 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.041 4.246 -3.393 1.00 0.00 C ATOM 0 H LEU B 10 -1.829 0.901 -7.277 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.291 3.459 -7.480 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.600 2.168 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.909 2.520 -4.955 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.505 4.985 -5.322 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.848 5.597 -4.876 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.681 4.661 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.298 3.876 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.317 5.226 -3.003 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.696 3.487 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.007 4.027 -3.125 1.00 0.00 H new ATOM 840 N ILE B 11 -1.170 4.586 -7.971 1.00 0.00 N ATOM 841 CA ILE B 11 0.067 5.270 -8.314 1.00 0.00 C ATOM 842 C ILE B 11 0.203 6.560 -7.515 1.00 0.00 C ATOM 843 O ILE B 11 -0.569 7.499 -7.696 1.00 0.00 O ATOM 844 CB ILE B 11 0.149 5.594 -9.824 1.00 0.00 C ATOM 845 CG1 ILE B 11 0.115 4.302 -10.644 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.411 6.397 -10.130 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.274 4.513 -12.134 1.00 0.00 C ATOM 0 H ILE B 11 -2.014 5.044 -8.316 1.00 0.00 H new ATOM 0 HA ILE B 11 0.884 4.594 -8.065 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.714 6.200 -10.100 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.908 3.641 -10.295 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.830 3.791 -10.459 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.453 6.616 -11.197 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.393 7.331 -9.568 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.289 5.818 -9.844 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.239 3.550 -12.644 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.534 5.147 -12.500 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.231 4.994 -12.333 1.00 0.00 H new ATOM 859 N VAL B 12 1.175 6.580 -6.620 1.00 0.00 N ATOM 860 CA VAL B 12 1.447 7.741 -5.788 1.00 0.00 C ATOM 861 C VAL B 12 2.779 8.350 -6.203 1.00 0.00 C ATOM 862 O VAL B 12 3.739 7.624 -6.472 1.00 0.00 O ATOM 863 CB VAL B 12 1.489 7.351 -4.297 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.722 8.565 -3.414 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.206 6.642 -3.906 1.00 0.00 C ATOM 0 H VAL B 12 1.799 5.792 -6.449 1.00 0.00 H new ATOM 0 HA VAL B 12 0.648 8.469 -5.925 1.00 0.00 H new ATOM 0 HB VAL B 12 2.327 6.670 -4.148 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.746 8.256 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.672 9.029 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.915 9.282 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.247 6.371 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.643 7.304 -4.078 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.091 5.740 -4.508 1.00 0.00 H new ATOM 875 N LYS B 13 2.849 9.668 -6.263 1.00 0.00 N ATOM 876 CA LYS B 13 4.076 10.330 -6.675 1.00 0.00 C ATOM 877 C LYS B 13 4.709 11.105 -5.530 1.00 0.00 C ATOM 878 O LYS B 13 4.052 11.419 -4.543 1.00 0.00 O ATOM 879 CB LYS B 13 3.816 11.255 -7.866 1.00 0.00 C ATOM 880 CG LYS B 13 3.943 10.556 -9.213 1.00 0.00 C ATOM 881 CD LYS B 13 5.281 9.842 -9.338 1.00 0.00 C ATOM 882 CE LYS B 13 5.450 9.184 -10.699 1.00 0.00 C ATOM 883 NZ LYS B 13 6.745 8.458 -10.803 1.00 0.00 N ATOM 0 H LYS B 13 2.079 10.297 -6.034 1.00 0.00 H new ATOM 0 HA LYS B 13 4.779 9.555 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.815 11.677 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.518 12.088 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS B 13 3.132 9.837 -9.331 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.841 11.286 -10.016 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.089 10.555 -9.177 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.363 9.086 -8.557 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.628 8.489 -10.872 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.395 9.943 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.111 8.537 -11.773 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.430 8.873 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.601 7.455 -10.569 1.00 0.00 H new ATOM 897 N LYS B 14 5.997 11.409 -5.698 1.00 0.00 N ATOM 898 CA LYS B 14 6.778 12.143 -4.714 1.00 0.00 C ATOM 899 C LYS B 14 6.651 11.532 -3.320 1.00 0.00 C ATOM 900 O LYS B 14 5.964 12.063 -2.448 1.00 0.00 O ATOM 901 CB LYS B 14 6.354 13.604 -4.719 1.00 0.00 C ATOM 902 CG LYS B 14 7.129 14.462 -5.708 1.00 0.00 C ATOM 903 CD LYS B 14 7.974 15.511 -5.002 1.00 0.00 C ATOM 904 CE LYS B 14 7.431 16.916 -5.225 1.00 0.00 C ATOM 905 NZ LYS B 14 6.132 17.131 -4.534 1.00 0.00 N ATOM 0 H LYS B 14 6.527 11.148 -6.529 1.00 0.00 H new ATOM 0 HA LYS B 14 7.831 12.078 -4.987 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.291 13.664 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.482 14.014 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS B 14 7.772 13.826 -6.316 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.432 14.953 -6.388 1.00 0.00 H new ATOM 0 HD2 LYS B 14 8.002 15.297 -3.934 1.00 0.00 H new ATOM 0 HD3 LYS B 14 9.000 15.456 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS B 14 8.157 17.646 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.306 17.090 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.875 18.137 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.395 16.562 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.217 16.844 -3.538 1.00 0.00 H new ATOM 919 N VAL B 15 7.306 10.397 -3.134 1.00 0.00 N ATOM 920 CA VAL B 15 7.297 9.692 -1.862 1.00 0.00 C ATOM 921 C VAL B 15 8.731 9.415 -1.429 1.00 0.00 C ATOM 922 O VAL B 15 9.528 8.904 -2.208 1.00 0.00 O ATOM 923 CB VAL B 15 6.510 8.367 -1.949 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.553 7.615 -0.627 1.00 0.00 C ATOM 925 CG2 VAL B 15 5.073 8.633 -2.360 1.00 0.00 C ATOM 0 H VAL B 15 7.858 9.939 -3.859 1.00 0.00 H new ATOM 0 HA VAL B 15 6.799 10.324 -1.126 1.00 0.00 H new ATOM 0 HB VAL B 15 6.983 7.742 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.990 6.686 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.588 7.389 -0.371 1.00 0.00 H new ATOM 0 HG13 VAL B 15 6.112 8.231 0.156 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.530 7.689 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.598 9.281 -1.623 1.00 0.00 H new ATOM 0 HG23 VAL B 15 5.058 9.120 -3.335 1.00 0.00 H new ATOM 935 N ARG B 16 9.048 9.747 -0.193 1.00 0.00 N ATOM 936 CA ARG B 16 10.393 9.568 0.324 1.00 0.00 C ATOM 937 C ARG B 16 10.499 8.426 1.321 1.00 0.00 C ATOM 938 O ARG B 16 9.629 8.236 2.169 1.00 0.00 O ATOM 939 CB ARG B 16 10.864 10.846 1.007 1.00 0.00 C ATOM 940 CG ARG B 16 11.157 11.981 0.055 1.00 0.00 C ATOM 941 CD ARG B 16 11.198 13.303 0.789 1.00 0.00 C ATOM 942 NE ARG B 16 11.947 14.317 0.060 1.00 0.00 N ATOM 943 CZ ARG B 16 12.653 15.272 0.651 1.00 0.00 C ATOM 944 NH1 ARG B 16 12.711 15.328 1.976 1.00 0.00 N ATOM 945 NH2 ARG B 16 13.307 16.164 -0.078 1.00 0.00 N ATOM 0 H ARG B 16 8.389 10.145 0.476 1.00 0.00 H new ATOM 0 HA ARG B 16 11.021 9.327 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.102 11.168 1.716 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.763 10.627 1.583 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.111 11.807 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.394 12.015 -0.722 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.180 13.656 0.955 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.649 13.157 1.771 1.00 0.00 H new ATOM 0 HE ARG B 16 11.928 14.292 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.213 14.637 2.538 1.00 0.00 H new ATOM 0 HH12 ARG B 16 13.253 16.062 2.432 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.268 16.118 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.849 16.897 0.379 1.00 0.00 H new ATOM 959 N GLN B 17 11.581 7.675 1.207 1.00 0.00 N ATOM 960 CA GLN B 17 11.863 6.588 2.122 1.00 0.00 C ATOM 961 C GLN B 17 13.187 6.888 2.817 1.00 0.00 C ATOM 962 O GLN B 17 14.257 6.721 2.225 1.00 0.00 O ATOM 963 CB GLN B 17 11.931 5.248 1.382 1.00 0.00 C ATOM 964 CG GLN B 17 11.399 4.073 2.192 1.00 0.00 C ATOM 965 CD GLN B 17 12.231 3.777 3.427 1.00 0.00 C ATOM 966 OE1 GLN B 17 12.017 4.352 4.493 1.00 0.00 O ATOM 967 NE2 GLN B 17 13.186 2.872 3.293 1.00 0.00 N ATOM 0 H GLN B 17 12.285 7.803 0.480 1.00 0.00 H new ATOM 0 HA GLN B 17 11.062 6.507 2.857 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.363 5.326 0.455 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.966 5.048 1.105 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.373 4.282 2.494 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.370 3.186 1.559 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.334 2.416 2.393 1.00 0.00 H new ATOM 0 HE22 GLN B 17 13.775 2.630 4.090 1.00 0.00 H new ATOM 976 N LYS B 18 13.094 7.333 4.069 1.00 0.00 N ATOM 977 CA LYS B 18 14.254 7.696 4.879 1.00 0.00 C ATOM 978 C LYS B 18 15.273 8.546 4.111 1.00 0.00 C ATOM 979 O LYS B 18 16.411 8.126 3.894 1.00 0.00 O ATOM 980 CB LYS B 18 14.907 6.446 5.457 1.00 0.00 C ATOM 981 CG LYS B 18 14.362 6.041 6.823 1.00 0.00 C ATOM 982 CD LYS B 18 14.643 7.094 7.891 1.00 0.00 C ATOM 983 CE LYS B 18 13.485 8.073 8.035 1.00 0.00 C ATOM 984 NZ LYS B 18 13.627 8.941 9.235 1.00 0.00 N ATOM 0 H LYS B 18 12.204 7.452 4.553 1.00 0.00 H new ATOM 0 HA LYS B 18 13.892 8.318 5.697 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.767 5.619 4.761 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.981 6.614 5.540 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.287 5.878 6.750 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.808 5.093 7.124 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.826 6.603 8.847 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.551 7.640 7.634 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.426 8.697 7.143 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.549 7.518 8.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.718 9.404 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.910 8.362 10.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.352 9.665 9.056 1.00 0.00 H new ATOM 998 N LYS B 19 14.847 9.754 3.739 1.00 0.00 N ATOM 999 CA LYS B 19 15.674 10.717 3.016 1.00 0.00 C ATOM 1000 C LYS B 19 16.024 10.287 1.587 1.00 0.00 C ATOM 1001 O LYS B 19 17.145 10.501 1.118 1.00 0.00 O ATOM 1002 CB LYS B 19 16.920 11.004 3.831 1.00 0.00 C ATOM 1003 CG LYS B 19 16.751 12.170 4.787 1.00 0.00 C ATOM 1004 CD LYS B 19 16.628 13.487 4.042 1.00 0.00 C ATOM 1005 CE LYS B 19 15.942 14.542 4.888 1.00 0.00 C ATOM 1006 NZ LYS B 19 14.463 14.419 4.821 1.00 0.00 N ATOM 0 H LYS B 19 13.905 10.094 3.935 1.00 0.00 H new ATOM 0 HA LYS B 19 15.087 11.627 2.895 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.189 10.113 4.398 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.749 11.214 3.155 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.864 12.013 5.400 1.00 0.00 H new ATOM 0 HG3 LYS B 19 17.603 12.213 5.465 1.00 0.00 H new ATOM 0 HD2 LYS B 19 17.619 13.838 3.755 1.00 0.00 H new ATOM 0 HD3 LYS B 19 16.065 13.334 3.121 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.269 14.448 5.924 1.00 0.00 H new ATOM 0 HE3 LYS B 19 16.241 15.533 4.548 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.025 15.258 5.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.165 14.346 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.162 13.567 5.336 1.00 0.00 H new ATOM 1020 N GLN B 20 15.058 9.692 0.901 1.00 0.00 N ATOM 1021 CA GLN B 20 15.222 9.278 -0.490 1.00 0.00 C ATOM 1022 C GLN B 20 13.913 9.530 -1.224 1.00 0.00 C ATOM 1023 O GLN B 20 12.901 8.933 -0.881 1.00 0.00 O ATOM 1024 CB GLN B 20 15.592 7.795 -0.590 1.00 0.00 C ATOM 1025 CG GLN B 20 17.076 7.543 -0.806 1.00 0.00 C ATOM 1026 CD GLN B 20 17.841 7.374 0.492 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.180 6.834 1.504 1.00 0.00 O flip ATOM 1028 NE2 GLN B 20 19.020 7.725 0.585 1.00 0.00 N flip ATOM 0 H GLN B 20 14.139 9.482 1.290 1.00 0.00 H new ATOM 0 HA GLN B 20 16.032 9.853 -0.939 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.277 7.290 0.323 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.034 7.346 -1.412 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.202 6.648 -1.415 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.503 8.374 -1.368 1.00 0.00 H new ATOM 0 HE21 GLN B 20 19.494 8.137 -0.218 1.00 0.00 H new ATOM 0 HE22 GLN B 20 19.521 7.603 1.465 1.00 0.00 H new ATOM 1037 N ASP B 21 13.928 10.406 -2.221 1.00 0.00 N ATOM 1038 CA ASP B 21 12.708 10.733 -2.963 1.00 0.00 C ATOM 1039 C ASP B 21 12.417 9.708 -4.048 1.00 0.00 C ATOM 1040 O ASP B 21 13.327 9.062 -4.577 1.00 0.00 O ATOM 1041 CB ASP B 21 12.790 12.132 -3.580 1.00 0.00 C ATOM 1042 CG ASP B 21 11.674 13.042 -3.095 1.00 0.00 C ATOM 1043 OD1 ASP B 21 10.489 12.658 -3.212 1.00 0.00 O ATOM 1044 OD2 ASP B 21 11.980 14.137 -2.576 1.00 0.00 O ATOM 0 H ASP B 21 14.762 10.901 -2.536 1.00 0.00 H new ATOM 0 HA ASP B 21 11.889 10.714 -2.244 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.753 12.579 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.744 12.051 -4.666 1.00 0.00 H new ATOM 1049 N GLY B 22 11.143 9.564 -4.368 1.00 0.00 N ATOM 1050 CA GLY B 22 10.724 8.622 -5.378 1.00 0.00 C ATOM 1051 C GLY B 22 9.218 8.569 -5.513 1.00 0.00 C ATOM 1052 O GLY B 22 8.549 9.597 -5.429 1.00 0.00 O ATOM 0 H GLY B 22 10.383 10.091 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.164 8.898 -6.336 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.101 7.630 -5.128 1.00 0.00 H new ATOM 1056 N ALA B 23 8.683 7.376 -5.711 1.00 0.00 N ATOM 1057 CA ALA B 23 7.248 7.196 -5.857 1.00 0.00 C ATOM 1058 C ALA B 23 6.810 5.861 -5.279 1.00 0.00 C ATOM 1059 O ALA B 23 7.574 4.894 -5.274 1.00 0.00 O ATOM 1060 CB ALA B 23 6.853 7.298 -7.319 1.00 0.00 C ATOM 0 H ALA B 23 9.224 6.514 -5.775 1.00 0.00 H new ATOM 0 HA ALA B 23 6.743 7.987 -5.302 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.776 7.161 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.130 8.280 -7.703 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.369 6.526 -7.890 1.00 0.00 H new ATOM 1066 N LEU B 24 5.579 5.814 -4.798 1.00 0.00 N ATOM 1067 CA LEU B 24 5.032 4.603 -4.213 1.00 0.00 C ATOM 1068 C LEU B 24 3.925 4.048 -5.097 1.00 0.00 C ATOM 1069 O LEU B 24 3.019 4.770 -5.508 1.00 0.00 O ATOM 1070 CB LEU B 24 4.498 4.881 -2.809 1.00 0.00 C ATOM 1071 CG LEU B 24 4.123 3.633 -2.016 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.360 2.985 -1.424 1.00 0.00 C ATOM 1073 CD2 LEU B 24 3.116 3.971 -0.930 1.00 0.00 C ATOM 0 H LEU B 24 4.937 6.606 -4.802 1.00 0.00 H new ATOM 0 HA LEU B 24 5.828 3.862 -4.139 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.251 5.438 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.621 5.523 -2.888 1.00 0.00 H new ATOM 0 HG LEU B 24 3.659 2.919 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU B 24 5.072 2.097 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU B 24 6.042 2.702 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.857 3.690 -0.758 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.861 3.068 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.548 4.705 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU B 24 2.215 4.384 -1.385 1.00 0.00 H new ATOM 1085 N TYR B 25 4.008 2.765 -5.395 1.00 0.00 N ATOM 1086 CA TYR B 25 3.021 2.117 -6.243 1.00 0.00 C ATOM 1087 C TYR B 25 2.382 0.926 -5.534 1.00 0.00 C ATOM 1088 O TYR B 25 3.075 0.000 -5.106 1.00 0.00 O ATOM 1089 CB TYR B 25 3.673 1.657 -7.553 1.00 0.00 C ATOM 1090 CG TYR B 25 4.441 2.745 -8.278 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.807 2.907 -8.080 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.801 3.606 -9.160 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.513 3.893 -8.742 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.500 4.597 -9.825 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.855 4.736 -9.613 1.00 0.00 C ATOM 1096 OH TYR B 25 6.558 5.721 -10.276 1.00 0.00 O ATOM 0 H TYR B 25 4.750 2.149 -5.062 1.00 0.00 H new ATOM 0 HA TYR B 25 2.238 2.842 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.350 0.830 -7.338 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.899 1.271 -8.216 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.326 2.251 -7.397 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.740 3.500 -9.329 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.575 4.003 -8.578 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.987 5.259 -10.507 1.00 0.00 H new ATOM 0 HH TYR B 25 6.354 5.680 -11.234 1.00 0.00 H new ATOM 1106 N LEU B 26 1.061 0.960 -5.400 1.00 0.00 N ATOM 1107 CA LEU B 26 0.330 -0.130 -4.763 1.00 0.00 C ATOM 1108 C LEU B 26 -0.033 -1.165 -5.808 1.00 0.00 C ATOM 1109 O LEU B 26 -0.555 -0.820 -6.866 1.00 0.00 O ATOM 1110 CB LEU B 26 -0.947 0.364 -4.080 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.741 1.344 -2.929 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -1.920 1.292 -1.970 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.550 1.053 -2.194 1.00 0.00 C ATOM 0 H LEU B 26 0.475 1.729 -5.723 1.00 0.00 H new ATOM 0 HA LEU B 26 0.974 -0.565 -3.999 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.578 0.840 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.495 -0.500 -3.704 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.675 2.348 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.757 1.997 -1.155 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.834 1.557 -2.502 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.015 0.285 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.673 1.766 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.519 0.041 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.389 1.142 -2.884 1.00 0.00 H new ATOM 1125 N MET B 27 0.236 -2.424 -5.523 1.00 0.00 N ATOM 1126 CA MET B 27 -0.056 -3.478 -6.471 1.00 0.00 C ATOM 1127 C MET B 27 -1.024 -4.489 -5.879 1.00 0.00 C ATOM 1128 O MET B 27 -1.227 -4.532 -4.666 1.00 0.00 O ATOM 1129 CB MET B 27 1.224 -4.180 -6.898 1.00 0.00 C ATOM 1130 CG MET B 27 2.454 -3.292 -6.861 1.00 0.00 C ATOM 1131 SD MET B 27 3.875 -4.038 -7.670 1.00 0.00 S ATOM 1132 CE MET B 27 4.037 -2.929 -9.058 1.00 0.00 C ATOM 0 H MET B 27 0.654 -2.740 -4.648 1.00 0.00 H new ATOM 0 HA MET B 27 -0.521 -3.022 -7.345 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.389 -5.040 -6.249 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.096 -4.564 -7.910 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.225 -2.341 -7.343 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.706 -3.071 -5.824 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.958 -3.153 -9.597 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.185 -3.056 -9.726 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.067 -1.900 -8.700 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.576 -5.321 -6.751 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.557 -6.338 -6.382 1.00 0.00 C ATOM 1144 C ALA B 28 -2.152 -7.180 -5.165 1.00 0.00 C ATOM 1145 O ALA B 28 -2.980 -7.428 -4.274 1.00 0.00 O ATOM 1146 CB ALA B 28 -2.812 -7.243 -7.576 1.00 0.00 C ATOM 0 H ALA B 28 -1.354 -5.311 -7.747 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.465 -5.809 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.544 -8.004 -7.306 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.195 -6.650 -8.407 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.880 -7.725 -7.873 1.00 0.00 H new ATOM 1152 N GLU B 29 -0.899 -7.623 -5.114 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.451 -8.464 -4.006 1.00 0.00 C ATOM 1154 C GLU B 29 0.648 -7.810 -3.176 1.00 0.00 C ATOM 1155 O GLU B 29 1.099 -8.396 -2.189 1.00 0.00 O ATOM 1156 CB GLU B 29 0.111 -9.789 -4.528 1.00 0.00 C ATOM 1157 CG GLU B 29 -0.486 -10.258 -5.840 1.00 0.00 C ATOM 1158 CD GLU B 29 0.354 -9.809 -7.018 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -0.199 -9.187 -7.941 1.00 0.00 O ATOM 1160 OE2 GLU B 29 1.580 -10.051 -7.006 1.00 0.00 O ATOM 0 H GLU B 29 -0.186 -7.419 -5.814 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.331 -8.620 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.189 -9.687 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.052 -10.559 -3.774 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.563 -11.345 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.498 -9.867 -5.942 1.00 0.00 H new ATOM 1167 N ARG B 30 1.071 -6.601 -3.524 1.00 0.00 N ATOM 1168 CA ARG B 30 2.176 -5.997 -2.787 1.00 0.00 C ATOM 1169 C ARG B 30 2.237 -4.488 -2.925 1.00 0.00 C ATOM 1170 O ARG B 30 1.531 -3.891 -3.726 1.00 0.00 O ATOM 1171 CB ARG B 30 3.497 -6.590 -3.288 1.00 0.00 C ATOM 1172 CG ARG B 30 3.870 -6.146 -4.698 1.00 0.00 C ATOM 1173 CD ARG B 30 4.872 -7.093 -5.337 1.00 0.00 C ATOM 1174 NE ARG B 30 4.224 -8.255 -5.946 1.00 0.00 N ATOM 1175 CZ ARG B 30 4.875 -9.194 -6.629 1.00 0.00 C ATOM 1176 NH1 ARG B 30 6.194 -9.128 -6.758 1.00 0.00 N ATOM 1177 NH2 ARG B 30 4.205 -10.198 -7.180 1.00 0.00 N ATOM 0 H ARG B 30 0.685 -6.037 -4.281 1.00 0.00 H new ATOM 0 HA ARG B 30 2.010 -6.219 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.296 -6.306 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.429 -7.678 -3.265 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.972 -6.096 -5.314 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.289 -5.140 -4.664 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.442 -6.558 -6.096 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.583 -7.430 -4.583 1.00 0.00 H new ATOM 0 HE ARG B 30 3.214 -8.351 -5.841 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.710 -8.357 -6.334 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.692 -9.848 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.191 -10.250 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG B 30 4.704 -10.918 -7.703 1.00 0.00 H new ATOM 1191 N ILE B 31 3.103 -3.895 -2.124 1.00 0.00 N ATOM 1192 CA ILE B 31 3.336 -2.467 -2.140 1.00 0.00 C ATOM 1193 C ILE B 31 4.819 -2.238 -2.391 1.00 0.00 C ATOM 1194 O ILE B 31 5.666 -2.826 -1.714 1.00 0.00 O ATOM 1195 CB ILE B 31 2.901 -1.786 -0.817 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.421 -0.345 -0.749 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.388 -2.582 0.385 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.897 0.436 0.438 1.00 0.00 C ATOM 0 H ILE B 31 3.668 -4.397 -1.439 1.00 0.00 H new ATOM 0 HA ILE B 31 2.734 -2.018 -2.930 1.00 0.00 H new ATOM 0 HB ILE B 31 1.812 -1.760 -0.795 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.510 -0.363 -0.709 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.144 0.175 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.071 -2.086 1.302 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.966 -3.586 0.351 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.476 -2.645 0.363 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.308 1.445 0.419 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.809 0.486 0.389 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.196 -0.060 1.361 1.00 0.00 H new ATOM 1210 N ALA B 32 5.144 -1.419 -3.370 1.00 0.00 N ATOM 1211 CA ALA B 32 6.534 -1.180 -3.687 1.00 0.00 C ATOM 1212 C ALA B 32 6.840 0.295 -3.873 1.00 0.00 C ATOM 1213 O ALA B 32 6.015 1.064 -4.370 1.00 0.00 O ATOM 1214 CB ALA B 32 6.926 -1.966 -4.924 1.00 0.00 C ATOM 0 H ALA B 32 4.475 -0.915 -3.952 1.00 0.00 H new ATOM 0 HA ALA B 32 7.127 -1.521 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.975 -1.780 -5.156 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.778 -3.030 -4.741 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.307 -1.653 -5.765 1.00 0.00 H new ATOM 1220 N TRP B 33 8.035 0.675 -3.459 1.00 0.00 N ATOM 1221 CA TRP B 33 8.498 2.041 -3.576 1.00 0.00 C ATOM 1222 C TRP B 33 9.700 2.084 -4.508 1.00 0.00 C ATOM 1223 O TRP B 33 10.601 1.242 -4.416 1.00 0.00 O ATOM 1224 CB TRP B 33 8.869 2.606 -2.201 1.00 0.00 C ATOM 1225 CG TRP B 33 9.451 3.986 -2.263 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.764 5.162 -2.318 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.842 4.332 -2.288 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.639 6.215 -2.381 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.919 5.734 -2.360 1.00 0.00 C ATOM 1230 CE3 TRP B 33 12.028 3.594 -2.253 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 12.132 6.410 -2.404 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 13.233 4.269 -2.296 1.00 0.00 C ATOM 1233 CH2 TRP B 33 13.277 5.666 -2.369 1.00 0.00 C ATOM 0 H TRP B 33 8.711 0.042 -3.032 1.00 0.00 H new ATOM 0 HA TRP B 33 7.697 2.656 -3.987 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.980 2.622 -1.571 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.586 1.938 -1.723 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.688 5.251 -2.313 1.00 0.00 H new ATOM 0 HE1 TRP B 33 9.377 7.199 -2.435 1.00 0.00 H new ATOM 0 HE3 TRP B 33 12.003 2.516 -2.193 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 12.168 7.488 -2.464 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 14.156 3.709 -2.273 1.00 0.00 H new ATOM 0 HH2 TRP B 33 14.234 6.165 -2.398 1.00 0.00 H new ATOM 1244 N ALA B 34 9.713 3.054 -5.401 1.00 0.00 N ATOM 1245 CA ALA B 34 10.797 3.190 -6.351 1.00 0.00 C ATOM 1246 C ALA B 34 11.199 4.642 -6.519 1.00 0.00 C ATOM 1247 O ALA B 34 10.347 5.494 -6.755 1.00 0.00 O ATOM 1248 CB ALA B 34 10.384 2.619 -7.697 1.00 0.00 C ATOM 0 H ALA B 34 8.983 3.761 -5.488 1.00 0.00 H new ATOM 0 HA ALA B 34 11.653 2.637 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.206 2.726 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.137 1.563 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.512 3.158 -8.069 1.00 0.00 H new ATOM 1254 N PRO B 35 12.500 4.949 -6.379 1.00 0.00 N ATOM 1255 CA PRO B 35 13.001 6.310 -6.568 1.00 0.00 C ATOM 1256 C PRO B 35 12.619 6.822 -7.954 1.00 0.00 C ATOM 1257 O PRO B 35 12.535 6.036 -8.904 1.00 0.00 O ATOM 1258 CB PRO B 35 14.519 6.164 -6.434 1.00 0.00 C ATOM 1259 CG PRO B 35 14.718 4.913 -5.648 1.00 0.00 C ATOM 1260 CD PRO B 35 13.566 4.010 -5.994 1.00 0.00 C ATOM 0 HA PRO B 35 12.589 7.023 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.997 6.096 -7.411 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.955 7.024 -5.925 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.669 4.443 -5.899 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.739 5.125 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.818 3.332 -6.809 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.271 3.393 -5.146 1.00 0.00 H new ATOM 1368 N THR B 42 12.746 -0.519 -5.397 1.00 0.00 N ATOM 1369 CA THR B 42 13.815 -0.967 -4.522 1.00 0.00 C ATOM 1370 C THR B 42 13.223 -1.559 -3.248 1.00 0.00 C ATOM 1371 O THR B 42 13.771 -2.488 -2.658 1.00 0.00 O ATOM 1372 CB THR B 42 14.757 0.195 -4.165 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.021 1.428 -4.149 1.00 0.00 O ATOM 1374 CG2 THR B 42 15.898 0.294 -5.165 1.00 0.00 C ATOM 0 HA THR B 42 14.392 -1.729 -5.046 1.00 0.00 H new ATOM 0 HB THR B 42 15.178 0.006 -3.177 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.239 1.350 -4.735 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.551 1.123 -4.891 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.469 -0.635 -5.159 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.494 0.465 -6.163 1.00 0.00 H new ATOM 1382 N ILE B 43 12.091 -1.005 -2.835 1.00 0.00 N ATOM 1383 CA ILE B 43 11.391 -1.473 -1.650 1.00 0.00 C ATOM 1384 C ILE B 43 10.174 -2.276 -2.079 1.00 0.00 C ATOM 1385 O ILE B 43 9.229 -1.718 -2.627 1.00 0.00 O ATOM 1386 CB ILE B 43 10.933 -0.293 -0.758 1.00 0.00 C ATOM 1387 CG1 ILE B 43 12.141 0.487 -0.223 1.00 0.00 C ATOM 1388 CG2 ILE B 43 10.065 -0.789 0.394 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.905 -0.235 0.868 1.00 0.00 C ATOM 0 H ILE B 43 11.636 -0.225 -3.309 1.00 0.00 H new ATOM 0 HA ILE B 43 12.076 -2.092 -1.070 1.00 0.00 H new ATOM 0 HB ILE B 43 10.335 0.380 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.820 0.698 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.799 1.448 0.162 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.755 0.058 1.007 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.183 -1.290 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.636 -1.489 1.004 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.744 0.381 1.193 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.243 -0.422 1.713 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.279 -1.184 0.483 1.00 0.00 H new ATOM 1401 N SER B 44 10.203 -3.576 -1.852 1.00 0.00 N ATOM 1402 CA SER B 44 9.093 -4.433 -2.229 1.00 0.00 C ATOM 1403 C SER B 44 8.572 -5.197 -1.021 1.00 0.00 C ATOM 1404 O SER B 44 9.259 -6.059 -0.477 1.00 0.00 O ATOM 1405 CB SER B 44 9.526 -5.407 -3.331 1.00 0.00 C ATOM 1406 OG SER B 44 8.442 -6.214 -3.767 1.00 0.00 O ATOM 0 H SER B 44 10.982 -4.062 -1.409 1.00 0.00 H new ATOM 0 HA SER B 44 8.287 -3.807 -2.612 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.927 -4.847 -4.176 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.329 -6.044 -2.960 1.00 0.00 H new ATOM 0 HG SER B 44 8.750 -6.823 -4.470 1.00 0.00 H new ATOM 1412 N HIS B 45 7.365 -4.861 -0.597 1.00 0.00 N ATOM 1413 CA HIS B 45 6.744 -5.522 0.538 1.00 0.00 C ATOM 1414 C HIS B 45 5.438 -6.149 0.121 1.00 0.00 C ATOM 1415 O HIS B 45 4.574 -5.484 -0.450 1.00 0.00 O ATOM 1416 CB HIS B 45 6.480 -4.536 1.677 1.00 0.00 C ATOM 1417 CG HIS B 45 7.680 -4.222 2.509 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.382 -5.155 3.237 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.291 -3.037 2.730 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.377 -4.520 3.866 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.368 -3.230 3.591 1.00 0.00 N ATOM 0 H HIS B 45 6.794 -4.131 -1.024 1.00 0.00 H new ATOM 0 HA HIS B 45 7.432 -6.291 0.890 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.091 -3.609 1.256 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.702 -4.944 2.322 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.180 -6.153 3.288 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.991 -2.090 2.306 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.094 -5.001 4.515 1.00 0.00 H new ATOM 1429 N MET B 46 5.292 -7.427 0.385 1.00 0.00 N ATOM 1430 CA MET B 46 4.067 -8.108 0.057 1.00 0.00 C ATOM 1431 C MET B 46 3.099 -7.883 1.197 1.00 0.00 C ATOM 1432 O MET B 46 3.512 -7.787 2.353 1.00 0.00 O ATOM 1433 CB MET B 46 4.298 -9.611 -0.146 1.00 0.00 C ATOM 1434 CG MET B 46 5.388 -9.944 -1.152 1.00 0.00 C ATOM 1435 SD MET B 46 4.858 -9.720 -2.863 1.00 0.00 S ATOM 1436 CE MET B 46 3.558 -10.948 -2.981 1.00 0.00 C ATOM 0 H MET B 46 6.004 -8.011 0.824 1.00 0.00 H new ATOM 0 HA MET B 46 3.669 -7.714 -0.878 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.555 -10.060 0.813 1.00 0.00 H new ATOM 0 HB3 MET B 46 3.365 -10.070 -0.473 1.00 0.00 H new ATOM 0 HG2 MET B 46 6.257 -9.314 -0.961 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.705 -10.977 -1.008 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.425 -11.238 -4.023 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.830 -11.824 -2.392 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.627 -10.530 -2.600 1.00 0.00 H new ATOM 1446 N TYR B 47 1.822 -7.775 0.891 1.00 0.00 N ATOM 1447 CA TYR B 47 0.825 -7.575 1.936 1.00 0.00 C ATOM 1448 C TYR B 47 0.818 -8.778 2.875 1.00 0.00 C ATOM 1449 O TYR B 47 0.359 -8.698 4.009 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.567 -7.363 1.339 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.657 -6.191 0.386 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.041 -4.980 0.674 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.365 -6.299 -0.802 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.129 -3.912 -0.197 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.456 -5.236 -1.676 1.00 0.00 C ATOM 1456 CZ TYR B 47 -0.837 -4.045 -1.370 1.00 0.00 C ATOM 1457 OH TYR B 47 -0.922 -2.987 -2.243 1.00 0.00 O ATOM 0 H TYR B 47 1.449 -7.821 -0.057 1.00 0.00 H new ATOM 0 HA TYR B 47 1.088 -6.678 2.497 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -0.867 -8.269 0.813 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.280 -7.214 2.150 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.515 -4.872 1.593 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.853 -7.231 -1.047 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.355 -2.977 0.041 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.011 -5.338 -2.597 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.048 -3.324 -3.154 1.00 0.00 H new ATOM 1467 N ALA B 48 1.378 -9.881 2.389 1.00 0.00 N ATOM 1468 CA ALA B 48 1.457 -11.116 3.151 1.00 0.00 C ATOM 1469 C ALA B 48 2.535 -11.041 4.230 1.00 0.00 C ATOM 1470 O ALA B 48 2.645 -11.944 5.059 1.00 0.00 O ATOM 1471 CB ALA B 48 1.726 -12.287 2.218 1.00 0.00 C ATOM 0 H ALA B 48 1.788 -9.941 1.457 1.00 0.00 H new ATOM 0 HA ALA B 48 0.499 -11.265 3.649 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.784 -13.208 2.798 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.918 -12.366 1.491 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.669 -12.127 1.696 1.00 0.00 H new ATOM 1477 N ASP B 49 3.332 -9.979 4.209 1.00 0.00 N ATOM 1478 CA ASP B 49 4.389 -9.803 5.199 1.00 0.00 C ATOM 1479 C ASP B 49 4.035 -8.664 6.142 1.00 0.00 C ATOM 1480 O ASP B 49 4.686 -8.464 7.172 1.00 0.00 O ATOM 1481 CB ASP B 49 5.740 -9.482 4.536 1.00 0.00 C ATOM 1482 CG ASP B 49 5.914 -10.077 3.150 1.00 0.00 C ATOM 1483 OD1 ASP B 49 6.304 -9.322 2.229 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.666 -11.289 2.976 1.00 0.00 O ATOM 0 H ASP B 49 3.267 -9.229 3.520 1.00 0.00 H new ATOM 0 HA ASP B 49 4.478 -10.741 5.747 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.851 -8.400 4.470 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.542 -9.846 5.178 1.00 0.00 H new ATOM 1489 N ILE B 50 2.988 -7.927 5.801 1.00 0.00 N ATOM 1490 CA ILE B 50 2.576 -6.786 6.599 1.00 0.00 C ATOM 1491 C ILE B 50 1.454 -7.160 7.566 1.00 0.00 C ATOM 1492 O ILE B 50 0.511 -7.857 7.201 1.00 0.00 O ATOM 1493 CB ILE B 50 2.121 -5.620 5.700 1.00 0.00 C ATOM 1494 CG1 ILE B 50 3.186 -5.332 4.637 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.853 -4.380 6.540 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.703 -4.454 3.505 1.00 0.00 C ATOM 0 H ILE B 50 2.410 -8.100 4.978 1.00 0.00 H new ATOM 0 HA ILE B 50 3.442 -6.468 7.179 1.00 0.00 H new ATOM 0 HB ILE B 50 1.195 -5.900 5.198 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.041 -4.854 5.114 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.538 -6.278 4.225 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.532 -3.564 5.892 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.070 -4.595 7.267 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.764 -4.091 7.063 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.515 -4.297 2.795 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.867 -4.938 3.000 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.378 -3.493 3.903 1.00 0.00 H new ATOM 1508 N LYS B 51 1.578 -6.699 8.802 1.00 0.00 N ATOM 1509 CA LYS B 51 0.590 -6.974 9.841 1.00 0.00 C ATOM 1510 C LYS B 51 -0.467 -5.872 9.903 1.00 0.00 C ATOM 1511 O LYS B 51 -1.659 -6.134 9.782 1.00 0.00 O ATOM 1512 CB LYS B 51 1.297 -7.099 11.189 1.00 0.00 C ATOM 1513 CG LYS B 51 0.397 -7.537 12.333 1.00 0.00 C ATOM 1514 CD LYS B 51 1.204 -7.836 13.589 1.00 0.00 C ATOM 1515 CE LYS B 51 1.923 -6.598 14.111 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.403 -6.702 13.960 1.00 0.00 N ATOM 0 H LYS B 51 2.362 -6.126 9.114 1.00 0.00 H new ATOM 0 HA LYS B 51 0.084 -7.909 9.602 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.114 -7.814 11.092 1.00 0.00 H new ATOM 0 HB3 LYS B 51 1.743 -6.137 11.442 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -0.332 -6.755 12.544 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -0.163 -8.424 12.038 1.00 0.00 H new ATOM 0 HD2 LYS B 51 0.541 -8.224 14.362 1.00 0.00 H new ATOM 0 HD3 LYS B 51 1.934 -8.616 13.374 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.565 -5.719 13.575 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.676 -6.452 15.163 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 3.868 -6.163 14.718 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 3.689 -7.700 14.020 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 3.686 -6.316 13.037 1.00 0.00 H new ATOM 1530 N CYS B 52 -0.014 -4.645 10.107 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.900 -3.491 10.188 1.00 0.00 C ATOM 1532 C CYS B 52 -0.181 -2.281 9.623 1.00 0.00 C ATOM 1533 O CYS B 52 0.972 -2.396 9.197 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.325 -3.235 11.633 1.00 0.00 C ATOM 1535 SG CYS B 52 0.019 -3.386 12.836 1.00 0.00 S ATOM 0 H CYS B 52 0.974 -4.420 10.221 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.802 -3.685 9.607 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.751 -2.234 11.703 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.116 -3.937 11.898 1.00 0.00 H new ATOM 0 HG CYS B 52 0.071 -2.311 13.565 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.816 -1.119 9.613 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.178 0.042 9.073 1.00 0.00 C ATOM 1543 C GLN B 53 -0.430 1.210 10.005 1.00 0.00 C ATOM 1544 O GLN B 53 -1.214 1.088 10.925 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.755 0.285 7.677 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.243 -0.003 7.616 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.920 0.557 6.391 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.375 1.625 5.837 1.00 0.00 O flip ATOM 1549 NE2 GLN B 53 -3.939 0.042 5.953 1.00 0.00 N flip ATOM 0 H GLN B 53 -1.759 -0.969 9.970 1.00 0.00 H new ATOM 0 HA GLN B 53 0.901 -0.087 8.986 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.574 1.320 7.386 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.235 -0.345 6.956 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.396 -1.082 7.644 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.721 0.410 8.505 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.330 -0.783 6.408 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.398 0.437 5.132 1.00 0.00 H new ATOM 1558 N LYS B 54 0.299 2.290 9.826 1.00 0.00 N ATOM 1559 CA LYS B 54 0.112 3.502 10.611 1.00 0.00 C ATOM 1560 C LYS B 54 0.365 4.668 9.689 1.00 0.00 C ATOM 1561 O LYS B 54 0.879 4.486 8.590 1.00 0.00 O ATOM 1562 CB LYS B 54 1.069 3.603 11.806 1.00 0.00 C ATOM 1563 CG LYS B 54 1.150 2.364 12.669 1.00 0.00 C ATOM 1564 CD LYS B 54 0.990 2.728 14.130 1.00 0.00 C ATOM 1565 CE LYS B 54 2.068 2.105 14.984 1.00 0.00 C ATOM 1566 NZ LYS B 54 1.904 0.633 15.110 1.00 0.00 N ATOM 0 H LYS B 54 1.042 2.358 9.131 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.899 3.495 11.019 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.067 3.834 11.434 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.760 4.442 12.430 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.373 1.658 12.376 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.108 1.867 12.514 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.020 3.812 14.240 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.012 2.399 14.482 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.044 2.324 14.551 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.050 2.557 15.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.823 0.199 15.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.229 0.423 15.873 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.545 0.246 14.214 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.011 5.846 10.110 1.00 0.00 N ATOM 1581 CA ILE B 55 0.198 7.033 9.288 1.00 0.00 C ATOM 1582 C ILE B 55 0.577 8.223 10.136 1.00 0.00 C ATOM 1583 O ILE B 55 -0.074 8.455 11.120 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.112 7.406 8.557 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.265 7.251 9.538 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.328 6.547 7.326 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.642 7.513 8.997 1.00 0.00 C ATOM 0 H ILE B 55 -0.461 6.021 11.008 1.00 0.00 H new ATOM 0 HA ILE B 55 0.997 6.800 8.584 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.052 8.438 8.210 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.241 6.236 9.935 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.093 7.926 10.377 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.258 6.838 6.838 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.497 6.686 6.635 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.384 5.499 7.619 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.377 7.371 9.789 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.699 8.537 8.628 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.850 6.821 8.181 1.00 0.00 H new ATOM 1599 N SER B 56 1.625 8.969 9.806 1.00 0.00 N ATOM 1600 CA SER B 56 1.908 10.148 10.599 1.00 0.00 C ATOM 1601 C SER B 56 0.750 11.084 10.334 1.00 0.00 C ATOM 1602 O SER B 56 0.601 11.584 9.199 1.00 0.00 O ATOM 1603 CB SER B 56 3.264 10.788 10.283 1.00 0.00 C ATOM 1604 OG SER B 56 3.640 10.588 8.947 1.00 0.00 O ATOM 0 H SER B 56 2.263 8.788 9.031 1.00 0.00 H new ATOM 0 HA SER B 56 1.995 9.895 11.656 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.218 11.857 10.491 1.00 0.00 H new ATOM 0 HB3 SER B 56 4.025 10.368 10.941 1.00 0.00 H new ATOM 0 HG SER B 56 4.028 11.414 8.589 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.096 11.253 11.385 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.350 12.015 11.357 1.00 0.00 C ATOM 1612 C PRO B 57 -1.177 13.480 10.984 1.00 0.00 C ATOM 1613 O PRO B 57 -0.058 14.000 10.937 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.857 11.939 12.803 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.656 11.618 13.611 1.00 0.00 C ATOM 1616 CD PRO B 57 0.171 10.742 12.740 1.00 0.00 C ATOM 0 HA PRO B 57 -2.020 11.601 10.604 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.303 12.883 13.116 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.624 11.172 12.913 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -0.114 12.522 13.889 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.927 11.111 14.537 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.229 10.809 12.993 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.115 9.695 12.837 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.298 14.140 10.717 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.291 15.556 10.405 1.00 0.00 C ATOM 1626 C GLU B 58 -1.684 16.305 11.583 1.00 0.00 C ATOM 1627 O GLU B 58 -1.990 16.012 12.738 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.712 16.054 10.124 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.155 15.861 8.680 1.00 0.00 C ATOM 1630 CD GLU B 58 -3.734 14.520 8.112 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -4.255 13.483 8.573 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -2.876 14.497 7.212 1.00 0.00 O ATOM 0 H GLU B 58 -3.224 13.712 10.712 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.697 15.733 9.508 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.407 15.531 10.781 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.772 17.113 10.375 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.240 15.951 8.622 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.736 16.658 8.066 1.00 0.00 H new ATOM 1639 N GLY B 59 -0.847 17.276 11.292 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.178 18.013 12.340 1.00 0.00 C ATOM 1641 C GLY B 59 1.310 17.760 12.293 1.00 0.00 C ATOM 1642 O GLY B 59 2.106 18.636 12.631 1.00 0.00 O ATOM 0 H GLY B 59 -0.614 17.572 10.344 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.376 19.079 12.227 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.573 17.716 13.311 1.00 0.00 H new ATOM 1646 N LYS B 60 1.691 16.553 11.877 1.00 0.00 N ATOM 1647 CA LYS B 60 3.096 16.225 11.721 1.00 0.00 C ATOM 1648 C LYS B 60 3.593 17.002 10.513 1.00 0.00 C ATOM 1649 O LYS B 60 2.842 17.197 9.555 1.00 0.00 O ATOM 1650 CB LYS B 60 3.313 14.717 11.504 1.00 0.00 C ATOM 1651 CG LYS B 60 3.459 13.900 12.788 1.00 0.00 C ATOM 1652 CD LYS B 60 4.709 14.284 13.576 1.00 0.00 C ATOM 1653 CE LYS B 60 5.672 13.113 13.759 1.00 0.00 C ATOM 1654 NZ LYS B 60 7.061 13.572 14.023 1.00 0.00 N ATOM 0 H LYS B 60 1.048 15.796 11.645 1.00 0.00 H new ATOM 0 HA LYS B 60 3.643 16.490 12.626 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.474 14.322 10.932 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.207 14.576 10.897 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.578 14.047 13.413 1.00 0.00 H new ATOM 0 HG3 LYS B 60 3.500 12.840 12.539 1.00 0.00 H new ATOM 0 HD2 LYS B 60 5.223 15.095 13.061 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.415 14.664 14.554 1.00 0.00 H new ATOM 0 HE2 LYS B 60 5.332 12.490 14.586 1.00 0.00 H new ATOM 0 HE3 LYS B 60 5.660 12.490 12.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.734 12.906 13.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 7.198 14.517 13.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 7.224 13.614 15.049 1.00 0.00 H new ATOM 1668 N ALA B 61 4.833 17.460 10.550 1.00 0.00 N ATOM 1669 CA ALA B 61 5.378 18.233 9.442 1.00 0.00 C ATOM 1670 C ALA B 61 5.433 17.409 8.163 1.00 0.00 C ATOM 1671 O ALA B 61 5.469 17.957 7.062 1.00 0.00 O ATOM 1672 CB ALA B 61 6.756 18.771 9.798 1.00 0.00 C ATOM 0 H ALA B 61 5.478 17.313 11.327 1.00 0.00 H new ATOM 0 HA ALA B 61 4.712 19.076 9.261 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.150 19.346 8.960 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.680 19.413 10.675 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.427 17.939 10.014 1.00 0.00 H new ATOM 1678 N LYS B 62 5.431 16.093 8.311 1.00 0.00 N ATOM 1679 CA LYS B 62 5.474 15.209 7.165 1.00 0.00 C ATOM 1680 C LYS B 62 4.385 14.142 7.260 1.00 0.00 C ATOM 1681 O LYS B 62 4.464 13.227 8.087 1.00 0.00 O ATOM 1682 CB LYS B 62 6.854 14.553 7.043 1.00 0.00 C ATOM 1683 CG LYS B 62 7.974 15.527 6.698 1.00 0.00 C ATOM 1684 CD LYS B 62 8.643 16.092 7.941 1.00 0.00 C ATOM 1685 CE LYS B 62 9.642 15.111 8.529 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.047 15.482 9.912 1.00 0.00 N ATOM 0 H LYS B 62 5.400 15.618 9.213 1.00 0.00 H new ATOM 0 HA LYS B 62 5.292 15.805 6.271 1.00 0.00 H new ATOM 0 HB2 LYS B 62 7.094 14.058 7.984 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.811 13.779 6.277 1.00 0.00 H new ATOM 0 HG2 LYS B 62 8.719 15.020 6.085 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.572 16.345 6.100 1.00 0.00 H new ATOM 0 HD2 LYS B 62 9.150 17.024 7.691 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.885 16.332 8.687 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.207 14.112 8.536 1.00 0.00 H new ATOM 0 HE3 LYS B 62 10.526 15.069 7.892 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.729 14.785 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.487 16.424 9.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.209 15.496 10.527 1.00 0.00 H new ATOM 1700 N ILE B 63 3.360 14.276 6.427 1.00 0.00 N ATOM 1701 CA ILE B 63 2.271 13.310 6.390 1.00 0.00 C ATOM 1702 C ILE B 63 2.806 12.043 5.749 1.00 0.00 C ATOM 1703 O ILE B 63 3.186 12.050 4.576 1.00 0.00 O ATOM 1704 CB ILE B 63 1.067 13.860 5.600 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.557 15.142 6.260 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.043 12.827 5.516 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.340 16.281 5.289 1.00 0.00 C ATOM 0 H ILE B 63 3.261 15.047 5.767 1.00 0.00 H new ATOM 0 HA ILE B 63 1.916 13.104 7.400 1.00 0.00 H new ATOM 0 HB ILE B 63 1.391 14.087 4.584 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.382 14.928 6.771 1.00 0.00 H new ATOM 0 HG13 ILE B 63 1.270 15.457 7.022 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -0.881 13.239 4.954 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.328 11.934 5.012 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.374 12.566 6.521 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.022 17.156 5.829 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.281 16.523 4.796 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.396 15.986 4.541 1.00 0.00 H new ATOM 1719 N GLN B 64 2.850 10.951 6.504 1.00 0.00 N ATOM 1720 CA GLN B 64 3.463 9.727 5.978 1.00 0.00 C ATOM 1721 C GLN B 64 2.726 8.459 6.371 1.00 0.00 C ATOM 1722 O GLN B 64 1.808 8.480 7.182 1.00 0.00 O ATOM 1723 CB GLN B 64 4.910 9.620 6.477 1.00 0.00 C ATOM 1724 CG GLN B 64 5.750 10.865 6.245 1.00 0.00 C ATOM 1725 CD GLN B 64 6.955 10.926 7.160 1.00 0.00 C ATOM 1726 OE1 GLN B 64 8.010 11.440 6.794 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.798 10.414 8.361 1.00 0.00 N ATOM 0 H GLN B 64 2.483 10.882 7.453 1.00 0.00 H new ATOM 0 HA GLN B 64 3.417 9.808 4.892 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.898 9.399 7.544 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.390 8.776 5.982 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.083 10.887 5.207 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.134 11.750 6.401 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.905 9.997 8.625 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.569 10.434 9.029 1.00 0.00 H new ATOM 1736 N LEU B 65 3.127 7.358 5.748 1.00 0.00 N ATOM 1737 CA LEU B 65 2.567 6.049 6.036 1.00 0.00 C ATOM 1738 C LEU B 65 3.653 5.150 6.626 1.00 0.00 C ATOM 1739 O LEU B 65 4.821 5.255 6.254 1.00 0.00 O ATOM 1740 CB LEU B 65 2.016 5.388 4.772 1.00 0.00 C ATOM 1741 CG LEU B 65 1.232 4.097 5.022 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.244 4.381 5.212 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.439 3.110 3.898 1.00 0.00 C ATOM 0 H LEU B 65 3.850 7.350 5.029 1.00 0.00 H new ATOM 0 HA LEU B 65 1.750 6.182 6.745 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.368 6.098 4.259 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.846 5.170 4.100 1.00 0.00 H new ATOM 0 HG LEU B 65 1.614 3.654 5.942 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.775 3.445 5.388 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.380 5.042 6.068 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.640 4.861 4.317 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.871 2.202 4.102 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.098 3.549 2.961 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.498 2.865 3.819 1.00 0.00 H new ATOM 1755 N GLN B 66 3.267 4.291 7.552 1.00 0.00 N ATOM 1756 CA GLN B 66 4.188 3.365 8.186 1.00 0.00 C ATOM 1757 C GLN B 66 3.653 1.945 8.081 1.00 0.00 C ATOM 1758 O GLN B 66 2.547 1.662 8.533 1.00 0.00 O ATOM 1759 CB GLN B 66 4.368 3.741 9.652 1.00 0.00 C ATOM 1760 CG GLN B 66 5.442 2.944 10.372 1.00 0.00 C ATOM 1761 CD GLN B 66 5.785 3.532 11.726 1.00 0.00 C ATOM 1762 OE1 GLN B 66 6.806 4.373 11.758 1.00 0.00 O flip ATOM 1763 NE2 GLN B 66 5.141 3.226 12.731 1.00 0.00 N flip ATOM 0 H GLN B 66 2.306 4.216 7.886 1.00 0.00 H new ATOM 0 HA GLN B 66 5.152 3.419 7.680 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.614 4.801 9.716 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.419 3.602 10.170 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.104 1.916 10.500 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.340 2.909 9.755 1.00 0.00 H new ATOM 0 HE21 GLN B 66 4.361 2.573 12.658 1.00 0.00 H new ATOM 0 HE22 GLN B 66 5.388 3.626 13.636 1.00 0.00 H new ATOM 1772 N LEU B 67 4.420 1.067 7.469 1.00 0.00 N ATOM 1773 CA LEU B 67 4.011 -0.321 7.327 1.00 0.00 C ATOM 1774 C LEU B 67 4.603 -1.170 8.435 1.00 0.00 C ATOM 1775 O LEU B 67 5.813 -1.372 8.478 1.00 0.00 O ATOM 1776 CB LEU B 67 4.459 -0.882 5.980 1.00 0.00 C ATOM 1777 CG LEU B 67 3.664 -0.399 4.773 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.150 -1.107 3.522 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.178 -0.638 4.983 1.00 0.00 C ATOM 0 H LEU B 67 5.329 1.286 7.061 1.00 0.00 H new ATOM 0 HA LEU B 67 2.923 -0.352 7.388 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.508 -0.625 5.829 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.400 -1.970 6.021 1.00 0.00 H new ATOM 0 HG LEU B 67 3.819 0.673 4.652 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.579 -0.759 2.662 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.207 -0.889 3.368 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.014 -2.182 3.636 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.626 -0.287 4.111 1.00 0.00 H new ATOM 0 HD22 LEU B 67 1.997 -1.704 5.122 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.843 -0.095 5.867 1.00 0.00 H new ATOM 1791 N VAL B 68 3.762 -1.657 9.332 1.00 0.00 N ATOM 1792 CA VAL B 68 4.239 -2.503 10.409 1.00 0.00 C ATOM 1793 C VAL B 68 4.118 -3.953 9.993 1.00 0.00 C ATOM 1794 O VAL B 68 3.018 -4.508 9.925 1.00 0.00 O ATOM 1795 CB VAL B 68 3.488 -2.276 11.734 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.001 -3.226 12.804 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.655 -0.845 12.193 1.00 0.00 C ATOM 0 H VAL B 68 2.757 -1.483 9.336 1.00 0.00 H new ATOM 0 HA VAL B 68 5.281 -2.239 10.591 1.00 0.00 H new ATOM 0 HB VAL B 68 2.429 -2.473 11.568 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.460 -3.053 13.734 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.847 -4.255 12.481 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.065 -3.052 12.965 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.119 -0.699 13.131 1.00 0.00 H new ATOM 0 HG22 VAL B 68 4.713 -0.632 12.343 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.253 -0.171 11.436 1.00 0.00 H new ATOM 1807 N LEU B 69 5.252 -4.559 9.713 1.00 0.00 N ATOM 1808 CA LEU B 69 5.289 -5.935 9.275 1.00 0.00 C ATOM 1809 C LEU B 69 4.891 -6.879 10.412 1.00 0.00 C ATOM 1810 O LEU B 69 4.656 -6.445 11.546 1.00 0.00 O ATOM 1811 CB LEU B 69 6.665 -6.279 8.712 1.00 0.00 C ATOM 1812 CG LEU B 69 7.136 -5.413 7.534 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.049 -6.216 6.632 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.971 -4.842 6.741 1.00 0.00 C ATOM 0 H LEU B 69 6.167 -4.114 9.782 1.00 0.00 H new ATOM 0 HA LEU B 69 4.561 -6.065 8.474 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.397 -6.197 9.515 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.657 -7.321 8.393 1.00 0.00 H new ATOM 0 HG LEU B 69 7.688 -4.568 7.946 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.378 -5.593 5.800 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.917 -6.552 7.199 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.510 -7.082 6.247 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.353 -4.237 5.919 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.368 -5.658 6.342 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.356 -4.222 7.393 1.00 0.00 H new ATOM 1826 N HIS B 70 4.809 -8.166 10.108 1.00 0.00 N ATOM 1827 CA HIS B 70 4.394 -9.173 11.086 1.00 0.00 C ATOM 1828 C HIS B 70 5.252 -9.190 12.349 1.00 0.00 C ATOM 1829 O HIS B 70 4.714 -9.125 13.457 1.00 0.00 O ATOM 1830 CB HIS B 70 4.369 -10.558 10.447 1.00 0.00 C ATOM 1831 CG HIS B 70 3.239 -10.736 9.480 1.00 0.00 C ATOM 1832 ND1 HIS B 70 1.981 -10.198 9.653 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.198 -11.398 8.300 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.236 -10.543 8.597 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.927 -11.275 7.749 1.00 0.00 N ATOM 0 H HIS B 70 5.025 -8.544 9.186 1.00 0.00 H new ATOM 0 HA HIS B 70 3.389 -8.893 11.401 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.313 -10.731 9.930 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.292 -11.312 11.230 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.022 -11.937 7.856 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.203 -10.258 8.458 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.598 -11.671 6.868 1.00 0.00 H new ATOM 1843 N ALA B 71 6.568 -9.241 12.191 1.00 0.00 N ATOM 1844 CA ALA B 71 7.474 -9.298 13.339 1.00 0.00 C ATOM 1845 C ALA B 71 7.491 -7.987 14.121 1.00 0.00 C ATOM 1846 O ALA B 71 7.829 -7.961 15.303 1.00 0.00 O ATOM 1847 CB ALA B 71 8.880 -9.660 12.882 1.00 0.00 C ATOM 0 H ALA B 71 7.034 -9.244 11.284 1.00 0.00 H new ATOM 0 HA ALA B 71 7.103 -10.072 14.011 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.544 -9.699 13.745 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.864 -10.634 12.392 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.240 -8.907 12.181 1.00 0.00 H new ATOM 1853 N GLY B 72 7.095 -6.909 13.467 1.00 0.00 N ATOM 1854 CA GLY B 72 7.088 -5.609 14.107 1.00 0.00 C ATOM 1855 C GLY B 72 8.004 -4.658 13.381 1.00 0.00 C ATOM 1856 O GLY B 72 8.455 -3.651 13.925 1.00 0.00 O ATOM 0 H GLY B 72 6.776 -6.909 12.498 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.074 -5.209 14.119 1.00 0.00 H new ATOM 0 HA3 GLY B 72 7.405 -5.707 15.145 1.00 0.00 H new ATOM 1860 N ASP B 73 8.251 -4.996 12.130 1.00 0.00 N ATOM 1861 CA ASP B 73 9.111 -4.233 11.250 1.00 0.00 C ATOM 1862 C ASP B 73 8.344 -3.020 10.778 1.00 0.00 C ATOM 1863 O ASP B 73 7.118 -3.010 10.854 1.00 0.00 O ATOM 1864 CB ASP B 73 9.519 -5.098 10.051 1.00 0.00 C ATOM 1865 CG ASP B 73 9.691 -6.564 10.414 1.00 0.00 C ATOM 1866 OD1 ASP B 73 8.666 -7.232 10.714 1.00 0.00 O ATOM 1867 OD2 ASP B 73 10.837 -7.051 10.395 1.00 0.00 O ATOM 0 H ASP B 73 7.851 -5.825 11.690 1.00 0.00 H new ATOM 0 HA ASP B 73 10.014 -3.922 11.775 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.764 -5.008 9.270 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.453 -4.719 9.636 1.00 0.00 H new ATOM 1872 N THR B 74 9.026 -2.001 10.293 1.00 0.00 N ATOM 1873 CA THR B 74 8.323 -0.814 9.849 1.00 0.00 C ATOM 1874 C THR B 74 8.982 -0.158 8.642 1.00 0.00 C ATOM 1875 O THR B 74 10.202 -0.002 8.584 1.00 0.00 O ATOM 1876 CB THR B 74 8.211 0.216 10.991 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.410 0.208 11.775 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.021 -0.081 11.890 1.00 0.00 C ATOM 0 H THR B 74 10.041 -1.969 10.198 1.00 0.00 H new ATOM 0 HA THR B 74 7.328 -1.143 9.549 1.00 0.00 H new ATOM 0 HB THR B 74 8.067 1.198 10.541 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.333 0.866 12.497 1.00 0.00 H new ATOM 0 HG21 THR B 74 6.971 0.663 12.685 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.104 -0.047 11.302 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.135 -1.072 12.328 1.00 0.00 H new ATOM 1886 N THR B 75 8.154 0.198 7.675 1.00 0.00 N ATOM 1887 CA THR B 75 8.604 0.868 6.471 1.00 0.00 C ATOM 1888 C THR B 75 7.928 2.234 6.381 1.00 0.00 C ATOM 1889 O THR B 75 6.700 2.317 6.298 1.00 0.00 O ATOM 1890 CB THR B 75 8.266 0.041 5.218 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.263 -1.357 5.546 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.274 0.307 4.111 1.00 0.00 C ATOM 0 H THR B 75 7.148 0.029 7.705 1.00 0.00 H new ATOM 0 HA THR B 75 9.687 0.985 6.518 1.00 0.00 H new ATOM 0 HB THR B 75 7.277 0.334 4.865 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.797 -1.849 4.887 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.017 -0.287 3.234 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.257 1.365 3.850 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.272 0.034 4.454 1.00 0.00 H new ATOM 1900 N ASN B 76 8.721 3.294 6.422 1.00 0.00 N ATOM 1901 CA ASN B 76 8.188 4.652 6.372 1.00 0.00 C ATOM 1902 C ASN B 76 8.113 5.189 4.953 1.00 0.00 C ATOM 1903 O ASN B 76 9.069 5.094 4.187 1.00 0.00 O ATOM 1904 CB ASN B 76 9.038 5.594 7.222 1.00 0.00 C ATOM 1905 CG ASN B 76 8.556 5.693 8.653 1.00 0.00 C ATOM 1906 OD1 ASN B 76 8.921 6.773 9.314 1.00 0.00 O flip ATOM 1907 ND2 ASN B 76 7.868 4.809 9.159 1.00 0.00 N flip ATOM 0 H ASN B 76 9.737 3.242 6.490 1.00 0.00 H new ATOM 0 HA ASN B 76 7.175 4.606 6.771 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.072 5.248 7.215 1.00 0.00 H new ATOM 0 HB3 ASN B 76 9.031 6.587 6.772 1.00 0.00 H new ATOM 0 HD21 ASN B 76 7.608 3.989 8.611 1.00 0.00 H new ATOM 0 HD22 ASN B 76 7.557 4.896 10.127 1.00 0.00 H new ATOM 1914 N PHE B 77 6.967 5.755 4.616 1.00 0.00 N ATOM 1915 CA PHE B 77 6.752 6.339 3.305 1.00 0.00 C ATOM 1916 C PHE B 77 6.273 7.776 3.459 1.00 0.00 C ATOM 1917 O PHE B 77 5.120 8.024 3.818 1.00 0.00 O ATOM 1918 CB PHE B 77 5.741 5.516 2.506 1.00 0.00 C ATOM 1919 CG PHE B 77 6.240 4.141 2.169 1.00 0.00 C ATOM 1920 CD1 PHE B 77 5.553 3.016 2.591 1.00 0.00 C ATOM 1921 CD2 PHE B 77 7.405 3.976 1.437 1.00 0.00 C ATOM 1922 CE1 PHE B 77 6.019 1.752 2.288 1.00 0.00 C ATOM 1923 CE2 PHE B 77 7.874 2.715 1.130 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.180 1.600 1.557 1.00 0.00 C ATOM 0 H PHE B 77 6.163 5.822 5.241 1.00 0.00 H new ATOM 0 HA PHE B 77 7.694 6.335 2.756 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.817 5.431 3.078 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.498 6.044 1.584 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.644 3.128 3.163 1.00 0.00 H new ATOM 0 HD2 PHE B 77 7.953 4.845 1.103 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.475 0.882 2.623 1.00 0.00 H new ATOM 0 HE2 PHE B 77 8.782 2.600 0.557 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.545 0.612 1.320 1.00 0.00 H new ATOM 1934 N HIS B 78 7.171 8.710 3.190 1.00 0.00 N ATOM 1935 CA HIS B 78 6.882 10.130 3.312 1.00 0.00 C ATOM 1936 C HIS B 78 6.265 10.666 2.033 1.00 0.00 C ATOM 1937 O HIS B 78 6.840 10.544 0.961 1.00 0.00 O ATOM 1938 CB HIS B 78 8.182 10.888 3.640 1.00 0.00 C ATOM 1939 CG HIS B 78 8.088 12.394 3.606 1.00 0.00 C ATOM 1940 ND1 HIS B 78 7.007 13.216 3.634 1.00 0.00 N flip ATOM 1941 CD2 HIS B 78 9.187 13.224 3.523 1.00 0.00 C flip ATOM 1942 CE1 HIS B 78 7.434 14.537 3.565 1.00 0.00 C flip ATOM 1943 NE2 HIS B 78 8.748 14.488 3.500 1.00 0.00 N flip ATOM 0 H HIS B 78 8.121 8.505 2.881 1.00 0.00 H new ATOM 0 HA HIS B 78 6.163 10.278 4.118 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.517 10.586 4.632 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.952 10.574 2.935 1.00 0.00 H new ATOM 0 HD2 HIS B 78 10.219 12.909 3.484 1.00 0.00 H new ATOM 0 HE1 HIS B 78 6.815 15.422 3.565 1.00 0.00 H new ATOM 0 HE2 HIS B 78 9.353 15.307 3.440 1.00 0.00 H new ATOM 1951 N PHE B 79 5.093 11.253 2.154 1.00 0.00 N ATOM 1952 CA PHE B 79 4.419 11.828 1.009 1.00 0.00 C ATOM 1953 C PHE B 79 4.943 13.241 0.779 1.00 0.00 C ATOM 1954 O PHE B 79 4.355 14.219 1.240 1.00 0.00 O ATOM 1955 CB PHE B 79 2.905 11.832 1.235 1.00 0.00 C ATOM 1956 CG PHE B 79 2.311 10.451 1.263 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.862 9.853 0.098 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.211 9.748 2.454 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.326 8.580 0.119 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.675 8.475 2.481 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.231 7.890 1.312 1.00 0.00 C ATOM 0 H PHE B 79 4.587 11.345 3.035 1.00 0.00 H new ATOM 0 HA PHE B 79 4.622 11.228 0.122 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.685 12.335 2.177 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.427 12.411 0.445 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.932 10.388 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.556 10.201 3.372 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.981 8.124 -0.797 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.603 7.938 3.415 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.810 6.895 1.330 1.00 0.00 H new ATOM 1971 N SER B 80 6.066 13.332 0.075 1.00 0.00 N ATOM 1972 CA SER B 80 6.706 14.608 -0.213 1.00 0.00 C ATOM 1973 C SER B 80 5.981 15.366 -1.322 1.00 0.00 C ATOM 1974 O SER B 80 6.490 16.356 -1.856 1.00 0.00 O ATOM 1975 CB SER B 80 8.171 14.374 -0.592 1.00 0.00 C ATOM 1976 OG SER B 80 8.348 13.107 -1.206 1.00 0.00 O ATOM 0 H SER B 80 6.556 12.525 -0.311 1.00 0.00 H new ATOM 0 HA SER B 80 6.657 15.224 0.685 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.503 15.159 -1.271 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.795 14.439 0.300 1.00 0.00 H new ATOM 0 HG SER B 80 9.032 13.175 -1.905 1.00 0.00 H new ATOM 1982 N ASN B 81 4.798 14.902 -1.675 1.00 0.00 N ATOM 1983 CA ASN B 81 4.014 15.554 -2.702 1.00 0.00 C ATOM 1984 C ASN B 81 3.072 16.563 -2.067 1.00 0.00 C ATOM 1985 O ASN B 81 1.953 16.236 -1.708 1.00 0.00 O ATOM 1986 CB ASN B 81 3.228 14.526 -3.514 1.00 0.00 C ATOM 1987 CG ASN B 81 2.965 15.002 -4.926 1.00 0.00 C ATOM 1988 OD1 ASN B 81 3.717 15.818 -5.468 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.915 14.485 -5.538 1.00 0.00 N ATOM 0 H ASN B 81 4.360 14.077 -1.265 1.00 0.00 H new ATOM 0 HA ASN B 81 4.688 16.077 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.782 13.588 -3.545 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.279 14.320 -3.018 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.699 14.757 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.321 13.814 -5.052 1.00 0.00 H new ATOM 1996 N GLU B 82 3.544 17.794 -1.940 1.00 0.00 N ATOM 1997 CA GLU B 82 2.771 18.885 -1.344 1.00 0.00 C ATOM 1998 C GLU B 82 1.386 19.019 -1.981 1.00 0.00 C ATOM 1999 O GLU B 82 0.406 19.341 -1.304 1.00 0.00 O ATOM 2000 CB GLU B 82 3.548 20.208 -1.472 1.00 0.00 C ATOM 2001 CG GLU B 82 3.722 20.716 -2.905 1.00 0.00 C ATOM 2002 CD GLU B 82 4.417 19.718 -3.814 1.00 0.00 C ATOM 2003 OE1 GLU B 82 3.723 19.049 -4.609 1.00 0.00 O ATOM 2004 OE2 GLU B 82 5.649 19.559 -3.708 1.00 0.00 O ATOM 0 H GLU B 82 4.477 18.070 -2.247 1.00 0.00 H new ATOM 0 HA GLU B 82 2.623 18.651 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.033 20.973 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU B 82 4.534 20.078 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU B 82 2.743 20.955 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.296 21.643 -2.888 1.00 0.00 H new ATOM 2011 N SER B 83 1.316 18.751 -3.276 1.00 0.00 N ATOM 2012 CA SER B 83 0.078 18.846 -4.027 1.00 0.00 C ATOM 2013 C SER B 83 -1.018 17.926 -3.470 1.00 0.00 C ATOM 2014 O SER B 83 -2.123 18.385 -3.153 1.00 0.00 O ATOM 2015 CB SER B 83 0.350 18.514 -5.497 1.00 0.00 C ATOM 2016 OG SER B 83 1.389 19.330 -6.019 1.00 0.00 O ATOM 0 H SER B 83 2.119 18.461 -3.835 1.00 0.00 H new ATOM 0 HA SER B 83 -0.290 19.868 -3.935 1.00 0.00 H new ATOM 0 HB2 SER B 83 0.625 17.464 -5.591 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.559 18.659 -6.081 1.00 0.00 H new ATOM 0 HG SER B 83 2.239 19.088 -5.596 1.00 0.00 H new ATOM 2022 N THR B 84 -0.723 16.641 -3.331 1.00 0.00 N ATOM 2023 CA THR B 84 -1.721 15.695 -2.850 1.00 0.00 C ATOM 2024 C THR B 84 -1.206 14.774 -1.740 1.00 0.00 C ATOM 2025 O THR B 84 -1.637 13.636 -1.651 1.00 0.00 O ATOM 2026 CB THR B 84 -2.237 14.839 -4.023 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.205 14.699 -5.004 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.468 15.463 -4.665 1.00 0.00 C ATOM 0 H THR B 84 0.188 16.233 -3.541 1.00 0.00 H new ATOM 0 HA THR B 84 -2.526 16.290 -2.420 1.00 0.00 H new ATOM 0 HB THR B 84 -2.516 13.860 -3.632 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.480 14.150 -4.640 1.00 0.00 H new ATOM 0 HG21 THR B 84 -3.807 14.835 -5.489 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.262 15.548 -3.923 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.218 16.454 -5.044 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.341 15.286 -0.868 1.00 0.00 N ATOM 2037 CA ALA B 85 0.232 14.485 0.225 1.00 0.00 C ATOM 2038 C ALA B 85 -0.846 13.782 1.037 1.00 0.00 C ATOM 2039 O ALA B 85 -0.924 12.556 1.054 1.00 0.00 O ATOM 2040 CB ALA B 85 1.079 15.356 1.143 1.00 0.00 C ATOM 0 H ALA B 85 -0.017 16.253 -0.892 1.00 0.00 H new ATOM 0 HA ALA B 85 0.863 13.723 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.493 14.744 1.944 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.892 15.804 0.571 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.459 16.144 1.571 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.674 14.573 1.704 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.759 14.048 2.522 1.00 0.00 C ATOM 2048 C VAL B 86 -3.713 13.187 1.684 1.00 0.00 C ATOM 2049 O VAL B 86 -4.172 12.137 2.126 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.542 15.206 3.179 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.781 14.704 3.902 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.661 15.974 4.140 1.00 0.00 C ATOM 0 H VAL B 86 -1.614 15.591 1.694 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.321 13.422 3.300 1.00 0.00 H new ATOM 0 HB VAL B 86 -3.862 15.874 2.379 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.306 15.547 4.352 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.439 14.203 3.192 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.488 14.001 4.682 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.234 16.784 4.590 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.304 15.303 4.922 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.809 16.388 3.601 1.00 0.00 H new ATOM 2062 N LYS B 87 -3.963 13.623 0.453 1.00 0.00 N ATOM 2063 CA LYS B 87 -4.869 12.913 -0.448 1.00 0.00 C ATOM 2064 C LYS B 87 -4.331 11.525 -0.805 1.00 0.00 C ATOM 2065 O LYS B 87 -5.024 10.522 -0.640 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.101 13.729 -1.727 1.00 0.00 C ATOM 2067 CG LYS B 87 -5.774 15.080 -1.498 1.00 0.00 C ATOM 2068 CD LYS B 87 -4.757 16.210 -1.389 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.392 17.566 -1.669 1.00 0.00 C ATOM 2070 NZ LYS B 87 -4.382 18.664 -1.713 1.00 0.00 N ATOM 0 H LYS B 87 -3.550 14.466 0.055 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.818 12.785 0.073 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.142 13.893 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.714 13.143 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.461 15.287 -2.319 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -6.370 15.039 -0.586 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.320 16.212 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -3.943 16.037 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -5.925 17.526 -2.619 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.131 17.785 -0.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -4.737 19.438 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.212 19.019 -0.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -3.492 18.301 -2.110 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.093 11.475 -1.285 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.463 10.213 -1.660 1.00 0.00 C ATOM 2086 C GLU B 88 -2.232 9.355 -0.419 1.00 0.00 C ATOM 2087 O GLU B 88 -2.228 8.126 -0.491 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.147 10.472 -2.406 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.335 11.221 -3.720 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.032 11.704 -4.336 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.361 12.860 -4.060 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.585 10.948 -5.114 1.00 0.00 O ATOM 0 H GLU B 88 -2.504 12.296 -1.424 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.128 9.670 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.479 11.044 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.657 9.519 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -1.844 10.569 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -1.987 12.078 -3.550 1.00 0.00 H new ATOM 2099 N ARG B 89 -2.058 10.018 0.722 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.852 9.336 1.993 1.00 0.00 C ATOM 2101 C ARG B 89 -3.053 8.457 2.310 1.00 0.00 C ATOM 2102 O ARG B 89 -2.908 7.266 2.579 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.643 10.361 3.116 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.165 9.767 4.437 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.322 9.344 5.336 1.00 0.00 C ATOM 2106 NE ARG B 89 -3.425 10.308 5.339 1.00 0.00 N ATOM 2107 CZ ARG B 89 -3.568 11.293 6.226 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -2.650 11.515 7.156 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -4.638 12.064 6.177 1.00 0.00 N ATOM 0 H ARG B 89 -2.056 11.036 0.790 1.00 0.00 H new ATOM 0 HA ARG B 89 -0.962 8.711 1.917 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.917 11.103 2.783 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.581 10.888 3.288 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.530 8.904 4.236 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.550 10.499 4.961 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.695 8.374 5.007 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.956 9.216 6.355 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.134 10.219 4.611 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -1.817 10.928 7.201 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -2.776 12.273 7.826 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -5.349 11.904 5.464 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.754 12.819 6.853 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.235 9.059 2.267 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.477 8.346 2.546 1.00 0.00 C ATOM 2125 C ASP B 90 -5.750 7.294 1.479 1.00 0.00 C ATOM 2126 O ASP B 90 -6.286 6.232 1.778 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.647 9.325 2.640 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.751 9.944 4.018 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.482 9.393 4.865 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -6.078 10.961 4.264 1.00 0.00 O ATOM 0 H ASP B 90 -4.361 10.045 2.040 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.369 7.839 3.505 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.523 10.112 1.896 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.576 8.806 2.403 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.360 7.582 0.239 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.557 6.644 -0.858 1.00 0.00 C ATOM 2137 C ALA B 91 -4.801 5.346 -0.594 1.00 0.00 C ATOM 2138 O ALA B 91 -5.353 4.254 -0.734 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.112 7.265 -2.175 1.00 0.00 C ATOM 0 H ALA B 91 -4.907 8.456 -0.028 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.620 6.413 -0.928 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.266 6.551 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.696 8.165 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.055 7.524 -2.116 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.539 5.473 -0.191 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.710 4.308 0.106 1.00 0.00 C ATOM 2147 C VAL B 92 -3.210 3.646 1.374 1.00 0.00 C ATOM 2148 O VAL B 92 -3.265 2.426 1.485 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.227 4.697 0.308 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.384 3.479 0.656 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.674 5.386 -0.924 1.00 0.00 C ATOM 0 H VAL B 92 -3.069 6.369 -0.063 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.778 3.628 -0.743 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.180 5.396 1.143 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.654 3.782 0.792 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.755 3.031 1.578 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.446 2.751 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.370 5.649 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.746 4.714 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.248 6.291 -1.124 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.606 4.487 2.306 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.094 4.062 3.597 1.00 0.00 C ATOM 2163 C LYS B 93 -5.348 3.205 3.464 1.00 0.00 C ATOM 2164 O LYS B 93 -5.389 2.081 3.955 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.360 5.313 4.432 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.455 5.174 5.469 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.726 6.505 6.138 1.00 0.00 C ATOM 2168 CE LYS B 93 -7.141 6.583 6.672 1.00 0.00 C ATOM 2169 NZ LYS B 93 -8.117 7.018 5.634 1.00 0.00 N ATOM 0 H LYS B 93 -3.597 5.500 2.184 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.348 3.438 4.089 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.437 5.596 4.937 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.620 6.131 3.760 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.366 4.806 4.997 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.163 4.437 6.217 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -5.020 6.653 6.955 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.561 7.312 5.424 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.435 5.607 7.057 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.172 7.279 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.055 7.138 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.807 7.922 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.171 6.298 4.885 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.342 3.733 2.767 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.614 3.047 2.573 1.00 0.00 C ATOM 2185 C ASP B 94 -7.470 1.767 1.763 1.00 0.00 C ATOM 2186 O ASP B 94 -8.082 0.741 2.081 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.615 3.981 1.899 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.432 4.760 2.907 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -8.854 5.606 3.619 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -10.650 4.499 3.008 1.00 0.00 O ATOM 0 H ASP B 94 -6.292 4.648 2.319 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.979 2.764 3.560 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.082 4.676 1.250 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.283 3.399 1.263 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.658 1.819 0.731 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.452 0.656 -0.117 1.00 0.00 C ATOM 2197 C LEU B 95 -5.626 -0.383 0.620 1.00 0.00 C ATOM 2198 O LEU B 95 -5.735 -1.571 0.342 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.775 1.054 -1.430 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.083 0.139 -2.616 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.579 0.104 -2.888 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.326 0.598 -3.852 1.00 0.00 C ATOM 0 H LEU B 95 -6.130 2.647 0.456 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.423 0.224 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.078 2.070 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.696 1.073 -1.275 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.756 -0.871 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.780 -0.552 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.100 -0.271 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.931 1.110 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.557 -0.064 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.623 1.616 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.255 0.572 -3.653 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.809 0.059 1.566 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.010 -0.867 2.345 1.00 0.00 C ATOM 2216 C LEU B 96 -4.906 -1.650 3.287 1.00 0.00 C ATOM 2217 O LEU B 96 -4.903 -2.870 3.246 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.903 -0.160 3.100 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.595 -0.053 2.326 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.544 0.636 3.165 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.110 -1.428 1.895 1.00 0.00 C ATOM 0 H LEU B 96 -4.685 1.042 1.808 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.526 -1.562 1.659 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.240 0.842 3.364 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.718 -0.690 4.034 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.774 0.542 1.431 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.385 0.705 2.599 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.886 1.638 3.426 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.372 0.063 4.076 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.175 -1.328 1.344 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.947 -2.049 2.776 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.860 -1.894 1.256 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.675 -0.959 4.143 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.624 -1.638 5.026 1.00 0.00 C ATOM 2235 C GLN B 97 -7.517 -2.584 4.222 1.00 0.00 C ATOM 2236 O GLN B 97 -8.120 -3.507 4.764 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.489 -0.617 5.769 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.708 0.662 5.002 1.00 0.00 C ATOM 2239 CD GLN B 97 -8.059 1.843 5.882 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.752 2.762 5.453 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.602 1.824 7.111 1.00 0.00 N ATOM 0 H GLN B 97 -5.656 0.056 4.239 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.058 -2.218 5.755 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.456 -1.067 5.992 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.019 -0.382 6.724 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.806 0.896 4.437 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.508 0.509 4.277 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.029 1.043 7.430 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.819 2.591 7.748 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.616 -2.321 2.931 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.403 -3.139 2.031 1.00 0.00 C ATOM 2252 C GLN B 98 -7.604 -4.320 1.453 1.00 0.00 C ATOM 2253 O GLN B 98 -8.091 -5.448 1.427 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.930 -2.243 0.915 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.180 -1.487 1.315 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.459 -2.239 1.023 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.456 -3.537 1.260 1.00 0.00 O flip ATOM 2258 NE2 GLN B 98 -12.450 -1.645 0.614 1.00 0.00 N flip ATOM 0 H GLN B 98 -7.152 -1.533 2.479 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.228 -3.581 2.590 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.155 -1.531 0.629 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.144 -2.851 0.036 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.134 -1.264 2.381 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.201 -0.532 0.790 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.408 -0.640 0.444 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -13.316 -2.156 0.444 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.379 -4.064 1.003 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.548 -5.104 0.389 1.00 0.00 C ATOM 2269 C LEU B 99 -4.694 -5.900 1.385 1.00 0.00 C ATOM 2270 O LEU B 99 -4.403 -7.072 1.139 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.638 -4.486 -0.668 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.354 -4.003 -1.925 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.428 -3.141 -2.765 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.867 -5.175 -2.742 1.00 0.00 C ATOM 0 H LEU B 99 -5.937 -3.146 1.050 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.245 -5.813 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.107 -3.644 -0.223 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.886 -5.221 -0.955 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.209 -3.402 -1.617 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.955 -2.805 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.110 -2.275 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.554 -3.723 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.374 -4.804 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.029 -5.807 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.567 -5.757 -2.143 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.286 -5.268 2.482 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.436 -5.914 3.493 1.00 0.00 C ATOM 2288 C LEU B 100 -4.043 -7.217 4.038 1.00 0.00 C ATOM 2289 O LEU B 100 -3.428 -8.282 3.920 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.121 -4.942 4.645 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.030 -3.920 4.333 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -1.890 -2.884 5.451 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -0.713 -4.631 4.097 1.00 0.00 C ATOM 0 H LEU B 100 -4.530 -4.302 2.700 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.507 -6.184 2.991 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.033 -4.410 4.914 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -2.820 -5.520 5.519 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.316 -3.384 3.428 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.104 -2.174 5.193 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -2.833 -2.352 5.574 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -1.633 -3.387 6.383 1.00 0.00 H new ATOM 0 HD21 LEU B 100 0.062 -3.897 3.875 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.437 -5.191 4.990 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -0.815 -5.317 3.256 1.00 0.00 H new