USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=25 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 81 ASN : amide:sc= 1.69 K(o=3.4,f=0.07) USER MOD Set 1.2: B 83 SER OG : rot 90:sc= 1.18 USER MOD Set 1.3: B 84 THR OG1 : rot 72:sc= 0.541 USER MOD Set 2.1: B 62 LYS NZ :NH3+ -118:sc=0.000602 (180deg=0) USER MOD Set 2.2: B 78 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.3) USER MOD Set 3.1: B 66 GLN : amide:sc= 0.797 X(o=-2.6,f=-2.4) USER MOD Set 3.2: B 76 ASN : amide:sc= -3.36! C(o=-2.6!,f=-2.4!) USER MOD Set 4.1: B 56 SER OG : rot 143:sc= 0.398 USER MOD Set 4.2: B 64 GLN : amide:sc= 0.221 K(o=0.62,f=-0.084) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -1.57! K(o=-0.76!,f=-2.4) USER MOD Set 5.2: B 75 THR OG1 : rot -139:sc= 0.813 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -141:sc= 1.06 (180deg=0) USER MOD Set 6.2: B 25 TYR OH : rot 150:sc= 0.913 USER MOD Set 7.1: A 414 LYS NZ :NH3+ -111:sc= 2.37 (180deg=-1.02) USER MOD Set 7.2: B 97 GLN : amide:sc= -10! C(o=-7.7!,f=-17!) USER MOD Single : B 14 LYS NZ :NH3+ 163:sc= 0.495 (180deg=-0.0886) USER MOD Single : B 17 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.18) USER MOD Single : B 18 LYS NZ :NH3+ 155:sc= 0.874 (180deg=-0.484) USER MOD Single : B 19 LYS NZ :NH3+ -136:sc= -0.165 (180deg=-0.673) USER MOD Single : B 20 GLN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : B 27 MET CE :methyl 179:sc= -0.284 (180deg=-0.292) USER MOD Single : B 42 THR OG1 : rot -12:sc= 0.31 USER MOD Single : B 44 SER OG : rot 180:sc= 0.371 USER MOD Single : B 46 MET CE :methyl 151:sc= -0.329 (180deg=-1.3!) USER MOD Single : B 47 TYR OH : rot -25:sc= 0.995 USER MOD Single : B 51 LYS NZ :NH3+ 169:sc= 1.09 (180deg=0.785) USER MOD Single : B 52 CYS SG : rot 122:sc= 0.576 USER MOD Single : B 53 GLN : amide:sc= -2.05! C(o=-2!,f=-8.1!) USER MOD Single : B 54 LYS NZ :NH3+ 159:sc= 0.389 (180deg=-2.28!) USER MOD Single : B 60 LYS NZ :NH3+ -179:sc= 0.717 (180deg=0.703) USER MOD Single : B 70 HIS : no HD1:sc= 0.426 K(o=0.43,f=-1.4) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 SER OG : rot 150:sc= 0.769 USER MOD Single : B 87 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.07) USER MOD Single : B 93 LYS NZ :NH3+ 174:sc= 1.99 (180deg=1.64) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.027 9.054 11.981 1.00 0.00 N ATOM 230 CA ASP A 405 9.896 7.628 12.231 1.00 0.00 C ATOM 231 C ASP A 405 8.923 7.385 13.364 1.00 0.00 C ATOM 232 O ASP A 405 8.625 6.241 13.716 1.00 0.00 O ATOM 233 CB ASP A 405 11.261 6.998 12.530 1.00 0.00 C ATOM 234 CG ASP A 405 12.187 7.008 11.323 1.00 0.00 C ATOM 235 OD1 ASP A 405 13.365 7.402 11.468 1.00 0.00 O ATOM 236 OD2 ASP A 405 11.739 6.638 10.218 1.00 0.00 O ATOM 0 HA ASP A 405 9.503 7.152 11.333 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.734 7.537 13.351 1.00 0.00 H new ATOM 0 HB3 ASP A 405 11.117 5.971 12.865 1.00 0.00 H new ATOM 241 N GLU A 406 8.407 8.467 13.919 1.00 0.00 N ATOM 242 CA GLU A 406 7.450 8.375 15.001 1.00 0.00 C ATOM 243 C GLU A 406 6.186 9.132 14.668 1.00 0.00 C ATOM 244 O GLU A 406 6.086 9.755 13.616 1.00 0.00 O ATOM 245 CB GLU A 406 8.021 8.898 16.326 1.00 0.00 C ATOM 246 CG GLU A 406 8.970 10.090 16.210 1.00 0.00 C ATOM 247 CD GLU A 406 8.499 11.181 15.265 1.00 0.00 C ATOM 248 OE1 GLU A 406 8.910 11.159 14.090 1.00 0.00 O ATOM 249 OE2 GLU A 406 7.728 12.061 15.695 1.00 0.00 O ATOM 0 H GLU A 406 8.637 9.420 13.636 1.00 0.00 H new ATOM 0 HA GLU A 406 7.220 7.317 15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 406 7.190 9.179 16.973 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.549 8.083 16.821 1.00 0.00 H new ATOM 0 HG2 GLU A 406 9.113 10.522 17.201 1.00 0.00 H new ATOM 0 HG3 GLU A 406 9.943 9.732 15.875 1.00 0.00 H new ATOM 256 N ASP A 407 5.231 9.063 15.581 1.00 0.00 N ATOM 257 CA ASP A 407 3.958 9.726 15.439 1.00 0.00 C ATOM 258 C ASP A 407 3.228 9.264 14.188 1.00 0.00 C ATOM 259 O ASP A 407 3.095 10.000 13.216 1.00 0.00 O ATOM 260 CB ASP A 407 4.097 11.243 15.482 1.00 0.00 C ATOM 261 CG ASP A 407 2.755 11.941 15.580 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.632 13.066 15.050 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.827 11.360 16.182 1.00 0.00 O ATOM 0 H ASP A 407 5.325 8.537 16.450 1.00 0.00 H new ATOM 0 HA ASP A 407 3.350 9.440 16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.714 11.525 16.335 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.617 11.584 14.586 1.00 0.00 H new ATOM 268 N PHE A 408 2.854 7.991 14.194 1.00 0.00 N ATOM 269 CA PHE A 408 2.070 7.402 13.129 1.00 0.00 C ATOM 270 C PHE A 408 0.890 6.732 13.785 1.00 0.00 C ATOM 271 O PHE A 408 1.049 5.909 14.688 1.00 0.00 O ATOM 272 CB PHE A 408 2.867 6.382 12.293 1.00 0.00 C ATOM 273 CG PHE A 408 3.916 6.985 11.403 1.00 0.00 C ATOM 274 CD1 PHE A 408 5.070 7.535 11.928 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.736 7.011 10.032 1.00 0.00 C ATOM 276 CE1 PHE A 408 6.014 8.106 11.105 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.681 7.575 9.206 1.00 0.00 C ATOM 278 CZ PHE A 408 5.818 8.126 9.744 1.00 0.00 C ATOM 0 H PHE A 408 3.089 7.340 14.943 1.00 0.00 H new ATOM 0 HA PHE A 408 1.763 8.180 12.430 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.346 5.674 12.969 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.170 5.813 11.677 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.233 7.517 12.995 1.00 0.00 H new ATOM 0 HD2 PHE A 408 2.842 6.583 9.604 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.909 8.538 11.528 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.529 7.584 8.137 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.558 8.575 9.098 1.00 0.00 H new ATOM 288 N VAL A 409 -0.282 7.089 13.334 1.00 0.00 N ATOM 289 CA VAL A 409 -1.493 6.563 13.877 1.00 0.00 C ATOM 290 C VAL A 409 -1.826 5.279 13.186 1.00 0.00 C ATOM 291 O VAL A 409 -1.972 5.237 11.971 1.00 0.00 O ATOM 292 CB VAL A 409 -2.594 7.622 13.783 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.283 8.638 14.811 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.628 8.310 12.456 1.00 0.00 C ATOM 0 H VAL A 409 -0.418 7.757 12.575 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.383 6.327 14.935 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.560 7.137 13.922 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.040 9.422 14.789 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.275 8.169 15.795 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.304 9.073 14.608 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.429 9.049 12.450 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.674 8.807 12.279 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.806 7.576 11.670 1.00 0.00 H new ATOM 304 N GLU A 410 -1.903 4.227 13.973 1.00 0.00 N ATOM 305 CA GLU A 410 -2.138 2.911 13.438 1.00 0.00 C ATOM 306 C GLU A 410 -3.376 2.868 12.558 1.00 0.00 C ATOM 307 O GLU A 410 -4.457 3.327 12.935 1.00 0.00 O ATOM 308 CB GLU A 410 -2.245 1.868 14.539 1.00 0.00 C ATOM 309 CG GLU A 410 -2.032 0.459 14.018 1.00 0.00 C ATOM 310 CD GLU A 410 -0.751 -0.162 14.531 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.002 -0.750 13.724 1.00 0.00 O ATOM 312 OE2 GLU A 410 -0.452 -0.022 15.735 1.00 0.00 O ATOM 0 H GLU A 410 -1.805 4.262 14.988 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.273 2.672 12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.508 2.082 15.313 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.227 1.936 15.007 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.877 -0.165 14.311 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -2.012 0.477 12.928 1.00 0.00 H new ATOM 319 N VAL A 411 -3.185 2.316 11.385 1.00 0.00 N ATOM 320 CA VAL A 411 -4.223 2.174 10.406 1.00 0.00 C ATOM 321 C VAL A 411 -4.675 0.715 10.355 1.00 0.00 C ATOM 322 O VAL A 411 -3.928 -0.171 9.916 1.00 0.00 O ATOM 323 CB VAL A 411 -3.748 2.640 9.017 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.934 2.879 8.112 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.928 3.885 9.142 1.00 0.00 C ATOM 0 H VAL A 411 -2.284 1.947 11.083 1.00 0.00 H new ATOM 0 HA VAL A 411 -5.064 2.805 10.694 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.128 1.858 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.584 3.208 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.501 1.954 8.003 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.574 3.647 8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.598 4.204 8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.529 4.673 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.058 3.686 9.768 1.00 0.00 H new ATOM 335 N PRO A 412 -5.893 0.460 10.851 1.00 0.00 N ATOM 336 CA PRO A 412 -6.503 -0.881 10.892 1.00 0.00 C ATOM 337 C PRO A 412 -6.964 -1.339 9.515 1.00 0.00 C ATOM 338 O PRO A 412 -6.908 -0.570 8.567 1.00 0.00 O ATOM 339 CB PRO A 412 -7.715 -0.666 11.797 1.00 0.00 C ATOM 340 CG PRO A 412 -8.091 0.751 11.543 1.00 0.00 C ATOM 341 CD PRO A 412 -6.791 1.481 11.423 1.00 0.00 C ATOM 0 HA PRO A 412 -5.808 -1.645 11.238 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.528 -1.348 11.548 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.468 -0.834 12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.682 0.845 10.632 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.695 1.151 12.358 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.876 2.354 10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.436 1.836 12.391 1.00 0.00 H new ATOM 349 N GLU A 413 -7.406 -2.587 9.410 1.00 0.00 N ATOM 350 CA GLU A 413 -7.893 -3.133 8.144 1.00 0.00 C ATOM 351 C GLU A 413 -9.413 -2.980 8.025 1.00 0.00 C ATOM 352 O GLU A 413 -10.108 -2.818 9.026 1.00 0.00 O ATOM 353 CB GLU A 413 -7.505 -4.608 8.005 1.00 0.00 C ATOM 354 CG GLU A 413 -7.896 -5.465 9.200 1.00 0.00 C ATOM 355 CD GLU A 413 -6.776 -5.593 10.211 1.00 0.00 C ATOM 356 OE1 GLU A 413 -6.074 -6.624 10.190 1.00 0.00 O ATOM 357 OE2 GLU A 413 -6.587 -4.662 11.016 1.00 0.00 O ATOM 0 H GLU A 413 -7.438 -3.244 10.189 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.425 -2.567 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.976 -5.014 7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -6.427 -4.677 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -8.771 -5.031 9.684 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -8.184 -6.457 8.853 1.00 0.00 H new ATOM 364 N LYS A 414 -9.923 -3.000 6.791 1.00 0.00 N ATOM 365 CA LYS A 414 -11.362 -2.873 6.560 1.00 0.00 C ATOM 366 C LYS A 414 -11.969 -4.202 6.151 1.00 0.00 C ATOM 367 O LYS A 414 -13.008 -4.601 6.672 1.00 0.00 O ATOM 368 CB LYS A 414 -11.674 -1.873 5.445 1.00 0.00 C ATOM 369 CG LYS A 414 -10.551 -0.926 5.123 1.00 0.00 C ATOM 370 CD LYS A 414 -10.649 0.346 5.933 1.00 0.00 C ATOM 371 CE LYS A 414 -11.683 1.282 5.355 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.322 2.713 5.556 1.00 0.00 N ATOM 0 H LYS A 414 -9.365 -3.102 5.943 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.787 -2.527 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -11.937 -2.425 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.551 -1.292 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -9.596 -1.412 5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -10.571 -0.684 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.908 0.105 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.678 0.841 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.795 1.084 4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.649 1.084 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.979 3.144 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -10.351 2.778 5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -11.384 3.217 4.649 1.00 0.00 H new ATOM 786 N VAL B 8 -0.969 -2.365 -11.091 1.00 0.00 N ATOM 787 CA VAL B 8 -0.911 -1.270 -10.139 1.00 0.00 C ATOM 788 C VAL B 8 -2.308 -0.707 -9.929 1.00 0.00 C ATOM 789 O VAL B 8 -2.927 -0.203 -10.863 1.00 0.00 O ATOM 790 CB VAL B 8 0.027 -0.138 -10.615 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.294 0.847 -9.488 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.335 -0.701 -11.152 1.00 0.00 C ATOM 0 HA VAL B 8 -0.513 -1.665 -9.204 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.472 0.392 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.956 1.636 -9.844 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.648 1.285 -9.157 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.765 0.327 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.976 0.117 -11.480 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.839 -1.264 -10.366 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.128 -1.360 -11.995 1.00 0.00 H new ATOM 802 N LEU B 9 -2.801 -0.805 -8.708 1.00 0.00 N ATOM 803 CA LEU B 9 -4.133 -0.319 -8.387 1.00 0.00 C ATOM 804 C LEU B 9 -4.086 1.135 -7.941 1.00 0.00 C ATOM 805 O LEU B 9 -5.049 1.878 -8.119 1.00 0.00 O ATOM 806 CB LEU B 9 -4.767 -1.184 -7.293 1.00 0.00 C ATOM 807 CG LEU B 9 -4.758 -2.693 -7.556 1.00 0.00 C ATOM 808 CD1 LEU B 9 -5.474 -3.429 -6.436 1.00 0.00 C ATOM 809 CD2 LEU B 9 -5.401 -3.015 -8.899 1.00 0.00 C ATOM 0 H LEU B 9 -2.300 -1.217 -7.921 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.744 -0.384 -9.288 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -4.245 -0.993 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.799 -0.863 -7.154 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.721 -3.027 -7.587 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.459 -4.500 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.970 -3.230 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.507 -3.085 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.382 -4.093 -9.062 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.433 -2.666 -8.901 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.848 -2.518 -9.696 1.00 0.00 H new ATOM 821 N LEU B 10 -2.968 1.541 -7.355 1.00 0.00 N ATOM 822 CA LEU B 10 -2.825 2.914 -6.886 1.00 0.00 C ATOM 823 C LEU B 10 -1.452 3.477 -7.222 1.00 0.00 C ATOM 824 O LEU B 10 -0.430 2.880 -6.894 1.00 0.00 O ATOM 825 CB LEU B 10 -3.060 2.976 -5.381 1.00 0.00 C ATOM 826 CG LEU B 10 -3.425 4.359 -4.839 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.829 4.763 -5.259 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.309 4.379 -3.330 1.00 0.00 C ATOM 0 H LEU B 10 -2.154 0.947 -7.194 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.571 3.523 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.858 2.280 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.160 2.630 -4.874 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.724 5.079 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.059 5.750 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.890 4.790 -6.347 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.547 4.039 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.572 5.369 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.987 3.640 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.285 4.143 -3.041 1.00 0.00 H new ATOM 840 N ILE B 11 -1.436 4.626 -7.881 1.00 0.00 N ATOM 841 CA ILE B 11 -0.189 5.276 -8.251 1.00 0.00 C ATOM 842 C ILE B 11 -0.033 6.590 -7.498 1.00 0.00 C ATOM 843 O ILE B 11 -0.777 7.540 -7.731 1.00 0.00 O ATOM 844 CB ILE B 11 -0.106 5.545 -9.773 1.00 0.00 C ATOM 845 CG1 ILE B 11 -0.122 4.222 -10.546 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.147 6.348 -10.109 1.00 0.00 C ATOM 847 CD1 ILE B 11 -0.032 4.390 -12.048 1.00 0.00 C ATOM 0 H ILE B 11 -2.275 5.128 -8.171 1.00 0.00 H new ATOM 0 HA ILE B 11 0.619 4.596 -7.981 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.975 6.132 -10.070 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.711 3.605 -10.208 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.038 3.682 -10.304 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.187 6.527 -11.183 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.119 7.302 -9.583 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.031 5.789 -9.801 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.049 3.410 -12.525 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.879 4.980 -12.400 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.897 4.901 -12.302 1.00 0.00 H new ATOM 859 N VAL B 12 0.921 6.619 -6.583 1.00 0.00 N ATOM 860 CA VAL B 12 1.200 7.804 -5.788 1.00 0.00 C ATOM 861 C VAL B 12 2.546 8.383 -6.205 1.00 0.00 C ATOM 862 O VAL B 12 3.515 7.642 -6.394 1.00 0.00 O ATOM 863 CB VAL B 12 1.209 7.462 -4.284 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.618 8.661 -3.445 1.00 0.00 C ATOM 865 CG2 VAL B 12 -0.157 6.957 -3.860 1.00 0.00 C ATOM 0 H VAL B 12 1.523 5.824 -6.370 1.00 0.00 H new ATOM 0 HA VAL B 12 0.417 8.542 -5.962 1.00 0.00 H new ATOM 0 HB VAL B 12 1.947 6.677 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.614 8.386 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.619 8.982 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.915 9.477 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.142 6.718 -2.797 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.904 7.728 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.407 6.062 -4.430 1.00 0.00 H new ATOM 875 N LYS B 13 2.616 9.694 -6.352 1.00 0.00 N ATOM 876 CA LYS B 13 3.852 10.332 -6.775 1.00 0.00 C ATOM 877 C LYS B 13 4.496 11.122 -5.646 1.00 0.00 C ATOM 878 O LYS B 13 3.851 11.431 -4.648 1.00 0.00 O ATOM 879 CB LYS B 13 3.606 11.233 -7.988 1.00 0.00 C ATOM 880 CG LYS B 13 3.732 10.500 -9.316 1.00 0.00 C ATOM 881 CD LYS B 13 5.072 9.791 -9.427 1.00 0.00 C ATOM 882 CE LYS B 13 5.235 9.086 -10.765 1.00 0.00 C ATOM 883 NZ LYS B 13 6.543 8.380 -10.863 1.00 0.00 N ATOM 0 H LYS B 13 1.839 10.334 -6.187 1.00 0.00 H new ATOM 0 HA LYS B 13 4.546 9.541 -7.060 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.609 11.667 -7.913 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.316 12.060 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.924 9.774 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.623 11.208 -10.137 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.877 10.515 -9.298 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.165 9.064 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.424 8.370 -10.899 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.154 9.814 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.925 8.488 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.210 8.788 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.409 7.370 -10.656 1.00 0.00 H new ATOM 897 N LYS B 14 5.778 11.445 -5.838 1.00 0.00 N ATOM 898 CA LYS B 14 6.572 12.186 -4.867 1.00 0.00 C ATOM 899 C LYS B 14 6.443 11.604 -3.463 1.00 0.00 C ATOM 900 O LYS B 14 5.737 12.139 -2.607 1.00 0.00 O ATOM 901 CB LYS B 14 6.187 13.657 -4.889 1.00 0.00 C ATOM 902 CG LYS B 14 7.004 14.494 -5.861 1.00 0.00 C ATOM 903 CD LYS B 14 6.877 15.981 -5.566 1.00 0.00 C ATOM 904 CE LYS B 14 7.616 16.364 -4.292 1.00 0.00 C ATOM 905 NZ LYS B 14 7.463 17.808 -3.968 1.00 0.00 N ATOM 0 H LYS B 14 6.294 11.195 -6.681 1.00 0.00 H new ATOM 0 HA LYS B 14 7.620 12.094 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.132 13.742 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.302 14.067 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS B 14 8.052 14.200 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.673 14.295 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS B 14 7.274 16.554 -6.404 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.824 16.245 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.241 15.765 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS B 14 8.674 16.128 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.724 17.970 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.084 18.370 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.475 18.095 -4.118 1.00 0.00 H new ATOM 919 N VAL B 15 7.119 10.488 -3.248 1.00 0.00 N ATOM 920 CA VAL B 15 7.115 9.810 -1.964 1.00 0.00 C ATOM 921 C VAL B 15 8.547 9.590 -1.499 1.00 0.00 C ATOM 922 O VAL B 15 9.334 8.945 -2.187 1.00 0.00 O ATOM 923 CB VAL B 15 6.380 8.456 -2.036 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.401 7.746 -0.689 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.952 8.657 -2.510 1.00 0.00 C ATOM 0 H VAL B 15 7.686 10.027 -3.959 1.00 0.00 H new ATOM 0 HA VAL B 15 6.583 10.442 -1.253 1.00 0.00 H new ATOM 0 HB VAL B 15 6.903 7.825 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.875 6.795 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.433 7.566 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.909 8.369 0.058 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.445 7.693 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.426 9.311 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.958 9.112 -3.501 1.00 0.00 H new ATOM 935 N ARG B 16 8.874 10.127 -0.341 1.00 0.00 N ATOM 936 CA ARG B 16 10.214 10.010 0.204 1.00 0.00 C ATOM 937 C ARG B 16 10.340 8.837 1.164 1.00 0.00 C ATOM 938 O ARG B 16 9.506 8.641 2.048 1.00 0.00 O ATOM 939 CB ARG B 16 10.607 11.291 0.938 1.00 0.00 C ATOM 940 CG ARG B 16 11.190 12.359 0.039 1.00 0.00 C ATOM 941 CD ARG B 16 11.749 13.519 0.844 1.00 0.00 C ATOM 942 NE ARG B 16 12.436 14.487 -0.007 1.00 0.00 N ATOM 943 CZ ARG B 16 13.255 15.434 0.445 1.00 0.00 C ATOM 944 NH1 ARG B 16 13.482 15.571 1.745 1.00 0.00 N ATOM 945 NH2 ARG B 16 13.852 16.253 -0.405 1.00 0.00 N ATOM 0 H ARG B 16 8.226 10.653 0.245 1.00 0.00 H new ATOM 0 HA ARG B 16 10.883 9.840 -0.640 1.00 0.00 H new ATOM 0 HB2 ARG B 16 9.728 11.694 1.441 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.334 11.046 1.713 1.00 0.00 H new ATOM 0 HG2 ARG B 16 11.980 11.927 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.420 12.724 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.939 14.015 1.378 1.00 0.00 H new ATOM 0 HD3 ARG B 16 12.441 13.140 1.596 1.00 0.00 H new ATOM 0 HE ARG B 16 12.278 14.434 -1.013 1.00 0.00 H new ATOM 0 HH11 ARG B 16 13.027 14.947 2.411 1.00 0.00 H new ATOM 0 HH12 ARG B 16 14.112 16.301 2.079 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.685 16.159 -1.407 1.00 0.00 H new ATOM 0 HH22 ARG B 16 14.480 16.979 -0.059 1.00 0.00 H new ATOM 959 N GLN B 17 11.386 8.056 0.967 1.00 0.00 N ATOM 960 CA GLN B 17 11.683 6.929 1.826 1.00 0.00 C ATOM 961 C GLN B 17 13.091 7.119 2.378 1.00 0.00 C ATOM 962 O GLN B 17 14.071 6.897 1.672 1.00 0.00 O ATOM 963 CB GLN B 17 11.581 5.618 1.043 1.00 0.00 C ATOM 964 CG GLN B 17 11.175 4.415 1.884 1.00 0.00 C ATOM 965 CD GLN B 17 12.259 3.971 2.847 1.00 0.00 C ATOM 966 OE1 GLN B 17 12.297 4.396 4.000 1.00 0.00 O ATOM 967 NE2 GLN B 17 13.150 3.116 2.377 1.00 0.00 N ATOM 0 H GLN B 17 12.053 8.187 0.206 1.00 0.00 H new ATOM 0 HA GLN B 17 10.965 6.878 2.644 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.857 5.745 0.238 1.00 0.00 H new ATOM 0 HB3 GLN B 17 12.544 5.412 0.576 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.275 4.660 2.447 1.00 0.00 H new ATOM 0 HG3 GLN B 17 10.922 3.586 1.223 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.083 2.787 1.414 1.00 0.00 H new ATOM 0 HE22 GLN B 17 13.905 2.784 2.978 1.00 0.00 H new ATOM 976 N LYS B 18 13.169 7.540 3.638 1.00 0.00 N ATOM 977 CA LYS B 18 14.435 7.792 4.315 1.00 0.00 C ATOM 978 C LYS B 18 15.358 8.704 3.492 1.00 0.00 C ATOM 979 O LYS B 18 16.424 8.285 3.034 1.00 0.00 O ATOM 980 CB LYS B 18 15.113 6.469 4.645 1.00 0.00 C ATOM 981 CG LYS B 18 14.710 5.889 5.996 1.00 0.00 C ATOM 982 CD LYS B 18 14.922 6.882 7.133 1.00 0.00 C ATOM 983 CE LYS B 18 13.604 7.275 7.787 1.00 0.00 C ATOM 984 NZ LYS B 18 13.800 8.232 8.909 1.00 0.00 N ATOM 0 H LYS B 18 12.350 7.716 4.220 1.00 0.00 H new ATOM 0 HA LYS B 18 14.225 8.323 5.243 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.876 5.746 3.865 1.00 0.00 H new ATOM 0 HB3 LYS B 18 16.193 6.612 4.630 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.661 5.593 5.965 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.290 4.987 6.190 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.583 6.444 7.881 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.419 7.773 6.750 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.948 7.722 7.040 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.103 6.381 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.932 8.788 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.016 7.706 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.589 8.872 8.686 1.00 0.00 H new ATOM 998 N LYS B 19 14.911 9.949 3.310 1.00 0.00 N ATOM 999 CA LYS B 19 15.641 10.978 2.574 1.00 0.00 C ATOM 1000 C LYS B 19 15.868 10.618 1.107 1.00 0.00 C ATOM 1001 O LYS B 19 16.873 11.005 0.510 1.00 0.00 O ATOM 1002 CB LYS B 19 16.957 11.266 3.280 1.00 0.00 C ATOM 1003 CG LYS B 19 16.854 12.374 4.315 1.00 0.00 C ATOM 1004 CD LYS B 19 17.954 13.414 4.157 1.00 0.00 C ATOM 1005 CE LYS B 19 19.289 12.929 4.702 1.00 0.00 C ATOM 1006 NZ LYS B 19 19.203 12.514 6.134 1.00 0.00 N ATOM 0 H LYS B 19 14.016 10.273 3.677 1.00 0.00 H new ATOM 0 HA LYS B 19 15.025 11.877 2.565 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.307 10.356 3.766 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.707 11.540 2.538 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.882 12.860 4.229 1.00 0.00 H new ATOM 0 HG3 LYS B 19 16.906 11.941 5.314 1.00 0.00 H new ATOM 0 HD2 LYS B 19 18.064 13.666 3.102 1.00 0.00 H new ATOM 0 HD3 LYS B 19 17.663 14.328 4.674 1.00 0.00 H new ATOM 0 HE2 LYS B 19 19.639 12.088 4.103 1.00 0.00 H new ATOM 0 HE3 LYS B 19 20.030 13.722 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 20.021 12.890 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 18.326 12.886 6.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 19.202 11.476 6.195 1.00 0.00 H new ATOM 1020 N GLN B 20 14.921 9.898 0.524 1.00 0.00 N ATOM 1021 CA GLN B 20 15.005 9.510 -0.879 1.00 0.00 C ATOM 1022 C GLN B 20 13.665 9.759 -1.560 1.00 0.00 C ATOM 1023 O GLN B 20 12.664 9.151 -1.193 1.00 0.00 O ATOM 1024 CB GLN B 20 15.389 8.035 -1.009 1.00 0.00 C ATOM 1025 CG GLN B 20 16.831 7.741 -0.630 1.00 0.00 C ATOM 1026 CD GLN B 20 17.024 6.322 -0.135 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.247 5.401 -0.919 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.942 6.137 1.173 1.00 0.00 N ATOM 0 H GLN B 20 14.082 9.569 1.002 1.00 0.00 H new ATOM 0 HA GLN B 20 15.776 10.111 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.729 7.440 -0.378 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.221 7.715 -2.037 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.472 7.911 -1.495 1.00 0.00 H new ATOM 0 HG3 GLN B 20 17.149 8.439 0.145 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.755 6.928 1.789 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.065 5.203 1.565 1.00 0.00 H new ATOM 1037 N ASP B 21 13.645 10.649 -2.544 1.00 0.00 N ATOM 1038 CA ASP B 21 12.408 10.971 -3.256 1.00 0.00 C ATOM 1039 C ASP B 21 12.120 9.941 -4.341 1.00 0.00 C ATOM 1040 O ASP B 21 13.015 9.538 -5.089 1.00 0.00 O ATOM 1041 CB ASP B 21 12.474 12.371 -3.878 1.00 0.00 C ATOM 1042 CG ASP B 21 11.619 13.384 -3.135 1.00 0.00 C ATOM 1043 OD1 ASP B 21 10.389 13.176 -3.027 1.00 0.00 O ATOM 1044 OD2 ASP B 21 12.177 14.394 -2.652 1.00 0.00 O ATOM 0 H ASP B 21 14.466 11.160 -2.869 1.00 0.00 H new ATOM 0 HA ASP B 21 11.599 10.951 -2.526 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.509 12.712 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.148 12.318 -4.917 1.00 0.00 H new ATOM 1049 N GLY B 22 10.872 9.518 -4.414 1.00 0.00 N ATOM 1050 CA GLY B 22 10.467 8.544 -5.401 1.00 0.00 C ATOM 1051 C GLY B 22 8.965 8.487 -5.558 1.00 0.00 C ATOM 1052 O GLY B 22 8.290 9.511 -5.470 1.00 0.00 O ATOM 0 H GLY B 22 10.123 9.836 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.923 8.789 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.839 7.561 -5.114 1.00 0.00 H new ATOM 1056 N ALA B 23 8.437 7.295 -5.777 1.00 0.00 N ATOM 1057 CA ALA B 23 7.005 7.114 -5.943 1.00 0.00 C ATOM 1058 C ALA B 23 6.553 5.791 -5.343 1.00 0.00 C ATOM 1059 O ALA B 23 7.290 4.803 -5.368 1.00 0.00 O ATOM 1060 CB ALA B 23 6.633 7.185 -7.414 1.00 0.00 C ATOM 0 H ALA B 23 8.981 6.435 -5.844 1.00 0.00 H new ATOM 0 HA ALA B 23 6.494 7.918 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.557 7.048 -7.524 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.918 8.158 -7.815 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.157 6.400 -7.960 1.00 0.00 H new ATOM 1066 N LEU B 24 5.342 5.781 -4.809 1.00 0.00 N ATOM 1067 CA LEU B 24 4.782 4.587 -4.199 1.00 0.00 C ATOM 1068 C LEU B 24 3.672 4.029 -5.076 1.00 0.00 C ATOM 1069 O LEU B 24 2.747 4.746 -5.459 1.00 0.00 O ATOM 1070 CB LEU B 24 4.245 4.895 -2.802 1.00 0.00 C ATOM 1071 CG LEU B 24 3.849 3.666 -1.988 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.076 2.992 -1.399 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.865 4.046 -0.892 1.00 0.00 C ATOM 0 H LEU B 24 4.725 6.593 -4.786 1.00 0.00 H new ATOM 0 HA LEU B 24 5.572 3.842 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU B 24 5.003 5.451 -2.250 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.377 5.547 -2.896 1.00 0.00 H new ATOM 0 HG LEU B 24 3.361 2.956 -2.656 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.770 2.119 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.742 2.681 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.598 3.692 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.594 3.157 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.325 4.777 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU B 24 1.970 4.477 -1.340 1.00 0.00 H new ATOM 1085 N TYR B 25 3.770 2.755 -5.399 1.00 0.00 N ATOM 1086 CA TYR B 25 2.779 2.113 -6.245 1.00 0.00 C ATOM 1087 C TYR B 25 2.109 0.951 -5.524 1.00 0.00 C ATOM 1088 O TYR B 25 2.771 -0.017 -5.139 1.00 0.00 O ATOM 1089 CB TYR B 25 3.432 1.610 -7.537 1.00 0.00 C ATOM 1090 CG TYR B 25 4.202 2.669 -8.298 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.571 2.822 -8.117 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.563 3.510 -9.199 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.280 3.783 -8.813 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.266 4.474 -9.899 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.625 4.606 -9.701 1.00 0.00 C ATOM 1096 OH TYR B 25 6.333 5.566 -10.396 1.00 0.00 O ATOM 0 H TYR B 25 4.525 2.142 -5.090 1.00 0.00 H new ATOM 0 HA TYR B 25 2.017 2.853 -6.488 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.108 0.790 -7.294 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.658 1.203 -8.187 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.090 2.179 -7.421 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.499 3.410 -9.356 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.344 3.888 -8.661 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.754 5.120 -10.597 1.00 0.00 H new ATOM 0 HH TYR B 25 5.907 5.722 -11.265 1.00 0.00 H new ATOM 1106 N LEU B 26 0.801 1.055 -5.325 1.00 0.00 N ATOM 1107 CA LEU B 26 0.050 -0.012 -4.682 1.00 0.00 C ATOM 1108 C LEU B 26 -0.322 -1.025 -5.736 1.00 0.00 C ATOM 1109 O LEU B 26 -0.964 -0.687 -6.729 1.00 0.00 O ATOM 1110 CB LEU B 26 -1.216 0.498 -3.996 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.995 1.459 -2.833 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -2.181 1.424 -1.885 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.283 1.127 -2.092 1.00 0.00 C ATOM 0 H LEU B 26 0.242 1.863 -5.598 1.00 0.00 H new ATOM 0 HA LEU B 26 0.676 -0.455 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.836 0.995 -4.742 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.781 -0.360 -3.632 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.901 2.467 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.008 2.115 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -3.084 1.717 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.304 0.414 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.418 1.827 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.223 0.112 -1.700 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.130 1.203 -2.774 1.00 0.00 H new ATOM 1125 N MET B 27 0.073 -2.258 -5.531 1.00 0.00 N ATOM 1126 CA MET B 27 -0.191 -3.286 -6.507 1.00 0.00 C ATOM 1127 C MET B 27 -1.212 -4.274 -5.977 1.00 0.00 C ATOM 1128 O MET B 27 -1.397 -4.396 -4.767 1.00 0.00 O ATOM 1129 CB MET B 27 1.100 -4.006 -6.862 1.00 0.00 C ATOM 1130 CG MET B 27 2.333 -3.131 -6.708 1.00 0.00 C ATOM 1131 SD MET B 27 3.768 -3.780 -7.566 1.00 0.00 S ATOM 1132 CE MET B 27 3.576 -2.935 -9.121 1.00 0.00 C ATOM 0 H MET B 27 0.576 -2.573 -4.701 1.00 0.00 H new ATOM 0 HA MET B 27 -0.597 -2.819 -7.404 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.205 -4.886 -6.227 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.040 -4.361 -7.891 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.112 -2.133 -7.086 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.567 -3.027 -5.649 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.397 -3.204 -9.785 1.00 0.00 H new ATOM 0 HE2 MET B 27 2.630 -3.225 -9.578 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.583 -1.858 -8.953 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.841 -4.984 -6.896 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.874 -5.965 -6.585 1.00 0.00 C ATOM 1144 C ALA B 28 -2.515 -6.895 -5.421 1.00 0.00 C ATOM 1145 O ALA B 28 -3.347 -7.143 -4.540 1.00 0.00 O ATOM 1146 CB ALA B 28 -3.175 -6.780 -7.833 1.00 0.00 C ATOM 0 H ALA B 28 -1.649 -4.897 -7.894 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.754 -5.410 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.947 -7.516 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.524 -6.117 -8.625 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.270 -7.291 -8.161 1.00 0.00 H new ATOM 1152 N GLU B 29 -1.286 -7.405 -5.400 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.886 -8.334 -4.348 1.00 0.00 C ATOM 1154 C GLU B 29 0.237 -7.789 -3.449 1.00 0.00 C ATOM 1155 O GLU B 29 0.608 -8.428 -2.451 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.437 -9.668 -4.971 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.233 -10.095 -6.206 1.00 0.00 C ATOM 1158 CD GLU B 29 -2.708 -10.333 -5.926 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -3.545 -9.545 -6.407 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -3.045 -11.295 -5.211 1.00 0.00 O ATOM 0 H GLU B 29 -0.562 -7.195 -6.087 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.761 -8.479 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.616 -9.591 -5.243 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.515 -10.451 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.137 -9.327 -6.974 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.797 -11.008 -6.612 1.00 0.00 H new ATOM 1167 N ARG B 30 0.756 -6.600 -3.742 1.00 0.00 N ATOM 1168 CA ARG B 30 1.860 -6.071 -2.939 1.00 0.00 C ATOM 1169 C ARG B 30 1.980 -4.560 -3.037 1.00 0.00 C ATOM 1170 O ARG B 30 1.291 -3.920 -3.816 1.00 0.00 O ATOM 1171 CB ARG B 30 3.186 -6.708 -3.380 1.00 0.00 C ATOM 1172 CG ARG B 30 3.653 -6.284 -4.770 1.00 0.00 C ATOM 1173 CD ARG B 30 5.073 -6.757 -5.050 1.00 0.00 C ATOM 1174 NE ARG B 30 5.366 -6.770 -6.482 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.320 -6.050 -7.068 1.00 0.00 C ATOM 1176 NH1 ARG B 30 7.139 -5.296 -6.344 1.00 0.00 N ATOM 1177 NH2 ARG B 30 6.468 -6.109 -8.383 1.00 0.00 N ATOM 0 H ARG B 30 0.444 -5.999 -4.504 1.00 0.00 H new ATOM 0 HA ARG B 30 1.643 -6.323 -1.901 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.958 -6.450 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.079 -7.793 -3.360 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.978 -6.692 -5.522 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.607 -5.198 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.781 -6.104 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.210 -7.758 -4.641 1.00 0.00 H new ATOM 0 HE ARG B 30 4.798 -7.375 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.040 -5.265 -5.329 1.00 0.00 H new ATOM 0 HH12 ARG B 30 7.867 -4.748 -6.803 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.853 -6.703 -8.939 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.197 -5.560 -8.839 1.00 0.00 H new ATOM 1191 N ILE B 31 2.861 -4.006 -2.223 1.00 0.00 N ATOM 1192 CA ILE B 31 3.130 -2.580 -2.221 1.00 0.00 C ATOM 1193 C ILE B 31 4.615 -2.379 -2.486 1.00 0.00 C ATOM 1194 O ILE B 31 5.456 -3.050 -1.881 1.00 0.00 O ATOM 1195 CB ILE B 31 2.721 -1.911 -0.882 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.206 -0.457 -0.834 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.260 -2.696 0.305 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.743 0.301 0.393 1.00 0.00 C ATOM 0 H ILE B 31 3.410 -4.533 -1.544 1.00 0.00 H new ATOM 0 HA ILE B 31 2.533 -2.105 -3.000 1.00 0.00 H new ATOM 0 HB ILE B 31 1.633 -1.912 -0.822 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.295 -0.446 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE B 31 2.855 0.063 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE B 31 2.960 -2.207 1.231 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.859 -3.709 0.283 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.348 -2.735 0.252 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.125 1.321 0.356 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.653 0.322 0.418 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.117 -0.194 1.289 1.00 0.00 H new ATOM 1210 N ALA B 32 4.948 -1.491 -3.406 1.00 0.00 N ATOM 1211 CA ALA B 32 6.340 -1.263 -3.737 1.00 0.00 C ATOM 1212 C ALA B 32 6.653 0.215 -3.897 1.00 0.00 C ATOM 1213 O ALA B 32 5.797 1.012 -4.290 1.00 0.00 O ATOM 1214 CB ALA B 32 6.704 -2.023 -5.001 1.00 0.00 C ATOM 0 H ALA B 32 4.282 -0.923 -3.930 1.00 0.00 H new ATOM 0 HA ALA B 32 6.943 -1.632 -2.907 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.752 -1.846 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.543 -3.089 -4.843 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.079 -1.679 -5.825 1.00 0.00 H new ATOM 1220 N TRP B 33 7.889 0.566 -3.584 1.00 0.00 N ATOM 1221 CA TRP B 33 8.356 1.933 -3.693 1.00 0.00 C ATOM 1222 C TRP B 33 9.663 1.965 -4.466 1.00 0.00 C ATOM 1223 O TRP B 33 10.523 1.097 -4.289 1.00 0.00 O ATOM 1224 CB TRP B 33 8.558 2.560 -2.306 1.00 0.00 C ATOM 1225 CG TRP B 33 9.099 3.963 -2.355 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.375 5.118 -2.382 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.480 4.356 -2.390 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.216 6.202 -2.443 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.511 5.761 -2.448 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.691 3.660 -2.383 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.701 6.480 -2.499 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.873 4.375 -2.432 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.870 5.773 -2.490 1.00 0.00 C ATOM 0 H TRP B 33 8.594 -0.090 -3.248 1.00 0.00 H new ATOM 0 HA TRP B 33 7.600 2.513 -4.223 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.606 2.565 -1.776 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.241 1.936 -1.730 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.297 5.173 -2.359 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.922 7.178 -2.479 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.704 2.581 -2.340 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.701 7.559 -2.544 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.814 3.846 -2.425 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.810 6.303 -2.528 1.00 0.00 H new ATOM 1244 N ALA B 34 9.800 2.957 -5.321 1.00 0.00 N ATOM 1245 CA ALA B 34 11.000 3.128 -6.113 1.00 0.00 C ATOM 1246 C ALA B 34 11.256 4.608 -6.325 1.00 0.00 C ATOM 1247 O ALA B 34 10.307 5.384 -6.448 1.00 0.00 O ATOM 1248 CB ALA B 34 10.867 2.416 -7.452 1.00 0.00 C ATOM 0 H ALA B 34 9.085 3.665 -5.486 1.00 0.00 H new ATOM 0 HA ALA B 34 11.843 2.688 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.779 2.557 -8.031 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.705 1.351 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.021 2.829 -8.001 1.00 0.00 H new ATOM 1254 N PRO B 35 12.528 5.032 -6.325 1.00 0.00 N ATOM 1255 CA PRO B 35 12.876 6.432 -6.553 1.00 0.00 C ATOM 1256 C PRO B 35 12.371 6.879 -7.924 1.00 0.00 C ATOM 1257 O PRO B 35 12.153 6.047 -8.808 1.00 0.00 O ATOM 1258 CB PRO B 35 14.408 6.450 -6.490 1.00 0.00 C ATOM 1259 CG PRO B 35 14.781 5.199 -5.767 1.00 0.00 C ATOM 1260 CD PRO B 35 13.716 4.194 -6.098 1.00 0.00 C ATOM 0 HA PRO B 35 12.429 7.111 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.844 6.473 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.771 7.333 -5.964 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.763 4.845 -6.082 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.834 5.371 -4.692 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.973 3.610 -6.982 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.561 3.487 -5.283 1.00 0.00 H new ATOM 1368 N THR B 42 13.153 -0.449 -4.911 1.00 0.00 N ATOM 1369 CA THR B 42 14.068 -0.700 -3.810 1.00 0.00 C ATOM 1370 C THR B 42 13.311 -1.231 -2.597 1.00 0.00 C ATOM 1371 O THR B 42 13.882 -1.881 -1.723 1.00 0.00 O ATOM 1372 CB THR B 42 14.824 0.584 -3.429 1.00 0.00 C ATOM 1373 OG1 THR B 42 14.004 1.726 -3.715 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.135 0.690 -4.194 1.00 0.00 C ATOM 0 HA THR B 42 14.789 -1.450 -4.135 1.00 0.00 H new ATOM 0 HB THR B 42 15.050 0.549 -2.363 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.238 1.450 -4.261 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.651 1.606 -3.907 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.764 -0.169 -3.959 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.931 0.709 -5.265 1.00 0.00 H new ATOM 1382 N ILE B 43 12.019 -0.941 -2.558 1.00 0.00 N ATOM 1383 CA ILE B 43 11.158 -1.388 -1.476 1.00 0.00 C ATOM 1384 C ILE B 43 10.016 -2.216 -2.044 1.00 0.00 C ATOM 1385 O ILE B 43 9.278 -1.746 -2.907 1.00 0.00 O ATOM 1386 CB ILE B 43 10.568 -0.197 -0.689 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.684 0.670 -0.096 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.633 -0.690 0.408 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.491 -0.025 0.981 1.00 0.00 C ATOM 0 H ILE B 43 11.541 -0.392 -3.272 1.00 0.00 H new ATOM 0 HA ILE B 43 11.763 -1.986 -0.795 1.00 0.00 H new ATOM 0 HB ILE B 43 9.992 0.416 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.355 0.980 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.245 1.577 0.320 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.227 0.164 0.951 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.816 -1.258 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.185 -1.329 1.097 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.261 0.651 1.352 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.833 -0.311 1.802 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.961 -0.917 0.565 1.00 0.00 H new ATOM 1401 N SER B 44 9.878 -3.444 -1.574 1.00 0.00 N ATOM 1402 CA SER B 44 8.818 -4.314 -2.047 1.00 0.00 C ATOM 1403 C SER B 44 8.313 -5.199 -0.915 1.00 0.00 C ATOM 1404 O SER B 44 9.054 -6.019 -0.378 1.00 0.00 O ATOM 1405 CB SER B 44 9.318 -5.173 -3.212 1.00 0.00 C ATOM 1406 OG SER B 44 8.252 -5.871 -3.836 1.00 0.00 O ATOM 0 H SER B 44 10.485 -3.859 -0.867 1.00 0.00 H new ATOM 0 HA SER B 44 7.991 -3.696 -2.398 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.818 -4.539 -3.945 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.058 -5.886 -2.849 1.00 0.00 H new ATOM 0 HG SER B 44 8.602 -6.409 -4.576 1.00 0.00 H new ATOM 1412 N HIS B 45 7.054 -5.012 -0.548 1.00 0.00 N ATOM 1413 CA HIS B 45 6.439 -5.793 0.516 1.00 0.00 C ATOM 1414 C HIS B 45 5.111 -6.348 0.059 1.00 0.00 C ATOM 1415 O HIS B 45 4.283 -5.620 -0.492 1.00 0.00 O ATOM 1416 CB HIS B 45 6.211 -4.937 1.768 1.00 0.00 C ATOM 1417 CG HIS B 45 7.458 -4.554 2.503 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.220 -5.433 3.235 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.058 -3.344 2.629 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.233 -4.747 3.777 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.183 -3.473 3.437 1.00 0.00 N ATOM 0 H HIS B 45 6.435 -4.322 -0.974 1.00 0.00 H new ATOM 0 HA HIS B 45 7.119 -6.609 0.760 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.683 -4.028 1.478 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.557 -5.482 2.449 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.044 -6.432 3.346 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.716 -2.426 2.174 1.00 0.00 H new ATOM 0 HE1 HIS B 45 9.993 -5.180 4.411 1.00 0.00 H new ATOM 1429 N MET B 46 4.907 -7.633 0.259 1.00 0.00 N ATOM 1430 CA MET B 46 3.648 -8.237 -0.097 1.00 0.00 C ATOM 1431 C MET B 46 2.707 -8.016 1.064 1.00 0.00 C ATOM 1432 O MET B 46 3.143 -7.943 2.212 1.00 0.00 O ATOM 1433 CB MET B 46 3.798 -9.730 -0.405 1.00 0.00 C ATOM 1434 CG MET B 46 4.451 -10.011 -1.750 1.00 0.00 C ATOM 1435 SD MET B 46 4.061 -11.652 -2.389 1.00 0.00 S ATOM 1436 CE MET B 46 2.281 -11.543 -2.554 1.00 0.00 C ATOM 0 H MET B 46 5.592 -8.272 0.663 1.00 0.00 H new ATOM 0 HA MET B 46 3.259 -7.780 -1.007 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.390 -10.197 0.382 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.814 -10.198 -0.383 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.127 -9.260 -2.470 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.532 -9.912 -1.651 1.00 0.00 H new ATOM 0 HE1 MET B 46 1.950 -12.196 -3.361 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.810 -11.852 -1.621 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.999 -10.515 -2.780 1.00 0.00 H new ATOM 1446 N TYR B 47 1.427 -7.879 0.783 1.00 0.00 N ATOM 1447 CA TYR B 47 0.457 -7.644 1.852 1.00 0.00 C ATOM 1448 C TYR B 47 0.447 -8.800 2.854 1.00 0.00 C ATOM 1449 O TYR B 47 0.036 -8.640 4.001 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.941 -7.418 1.279 1.00 0.00 C ATOM 1451 CG TYR B 47 -1.019 -6.248 0.324 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -1.624 -6.381 -0.916 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -0.480 -5.014 0.660 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -1.692 -5.319 -1.795 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -0.546 -3.945 -0.213 1.00 0.00 C ATOM 1456 CZ TYR B 47 -1.152 -4.104 -1.439 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.218 -3.044 -2.313 1.00 0.00 O ATOM 0 H TYR B 47 1.032 -7.924 -0.156 1.00 0.00 H new ATOM 0 HA TYR B 47 0.761 -6.741 2.382 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.263 -8.321 0.761 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.639 -7.254 2.100 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -2.050 -7.332 -1.199 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.001 -4.887 1.620 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -2.167 -5.441 -2.757 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.125 -2.990 0.065 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.284 -3.381 -3.231 1.00 0.00 H new ATOM 1467 N ALA B 48 0.950 -9.952 2.422 1.00 0.00 N ATOM 1468 CA ALA B 48 0.997 -11.139 3.264 1.00 0.00 C ATOM 1469 C ALA B 48 2.116 -11.059 4.297 1.00 0.00 C ATOM 1470 O ALA B 48 2.179 -11.885 5.211 1.00 0.00 O ATOM 1471 CB ALA B 48 1.169 -12.382 2.403 1.00 0.00 C ATOM 0 H ALA B 48 1.333 -10.087 1.486 1.00 0.00 H new ATOM 0 HA ALA B 48 0.053 -11.198 3.805 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.203 -13.265 3.041 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.330 -12.465 1.713 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.098 -12.307 1.837 1.00 0.00 H new ATOM 1477 N ASP B 49 2.994 -10.072 4.151 1.00 0.00 N ATOM 1478 CA ASP B 49 4.111 -9.898 5.075 1.00 0.00 C ATOM 1479 C ASP B 49 3.861 -8.724 6.011 1.00 0.00 C ATOM 1480 O ASP B 49 4.669 -8.443 6.900 1.00 0.00 O ATOM 1481 CB ASP B 49 5.432 -9.653 4.326 1.00 0.00 C ATOM 1482 CG ASP B 49 5.509 -10.340 2.976 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.837 -9.652 1.980 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.242 -11.558 2.907 1.00 0.00 O ATOM 0 H ASP B 49 2.954 -9.380 3.402 1.00 0.00 H new ATOM 0 HA ASP B 49 4.191 -10.821 5.649 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.565 -8.580 4.185 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.259 -9.998 4.946 1.00 0.00 H new ATOM 1489 N ILE B 50 2.741 -8.042 5.822 1.00 0.00 N ATOM 1490 CA ILE B 50 2.421 -6.889 6.644 1.00 0.00 C ATOM 1491 C ILE B 50 1.401 -7.245 7.729 1.00 0.00 C ATOM 1492 O ILE B 50 0.435 -7.964 7.474 1.00 0.00 O ATOM 1493 CB ILE B 50 1.888 -5.729 5.783 1.00 0.00 C ATOM 1494 CG1 ILE B 50 2.879 -5.418 4.656 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.650 -4.498 6.644 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.322 -4.514 3.579 1.00 0.00 C ATOM 0 H ILE B 50 2.044 -8.266 5.112 1.00 0.00 H new ATOM 0 HA ILE B 50 3.343 -6.571 7.129 1.00 0.00 H new ATOM 0 HB ILE B 50 0.937 -6.024 5.340 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.766 -4.952 5.085 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.200 -6.354 4.200 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.273 -3.686 6.022 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.919 -4.731 7.418 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.587 -4.193 7.110 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.084 -4.342 2.819 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.453 -4.986 3.121 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.027 -3.562 4.020 1.00 0.00 H new ATOM 1508 N LYS B 51 1.626 -6.738 8.936 1.00 0.00 N ATOM 1509 CA LYS B 51 0.738 -6.997 10.064 1.00 0.00 C ATOM 1510 C LYS B 51 -0.339 -5.920 10.151 1.00 0.00 C ATOM 1511 O LYS B 51 -1.521 -6.213 10.319 1.00 0.00 O ATOM 1512 CB LYS B 51 1.542 -7.033 11.366 1.00 0.00 C ATOM 1513 CG LYS B 51 0.723 -7.425 12.586 1.00 0.00 C ATOM 1514 CD LYS B 51 1.268 -6.791 13.861 1.00 0.00 C ATOM 1515 CE LYS B 51 2.752 -7.075 14.054 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.022 -8.515 14.309 1.00 0.00 N ATOM 0 H LYS B 51 2.422 -6.141 9.160 1.00 0.00 H new ATOM 0 HA LYS B 51 0.257 -7.963 9.913 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.367 -7.737 11.253 1.00 0.00 H new ATOM 0 HB3 LYS B 51 1.982 -6.051 11.537 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -0.313 -7.119 12.442 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.723 -8.510 12.691 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.107 -5.713 13.827 1.00 0.00 H new ATOM 0 HD3 LYS B 51 0.713 -7.169 14.719 1.00 0.00 H new ATOM 0 HE2 LYS B 51 3.299 -6.757 13.167 1.00 0.00 H new ATOM 0 HE3 LYS B 51 3.127 -6.484 14.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.045 -8.692 14.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 2.682 -8.769 15.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 2.528 -9.092 13.598 1.00 0.00 H new ATOM 1530 N CYS B 52 0.088 -4.675 10.050 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.811 -3.532 10.109 1.00 0.00 C ATOM 1532 C CYS B 52 -0.084 -2.317 9.565 1.00 0.00 C ATOM 1533 O CYS B 52 1.086 -2.418 9.194 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.280 -3.281 11.544 1.00 0.00 C ATOM 1535 SG CYS B 52 0.015 -3.474 12.790 1.00 0.00 S ATOM 0 H CYS B 52 1.069 -4.425 9.925 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.696 -3.733 9.506 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.685 -2.271 11.611 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.095 -3.968 11.774 1.00 0.00 H new ATOM 0 HG CYS B 52 0.142 -2.367 13.459 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.740 -1.173 9.507 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.099 -0.002 8.993 1.00 0.00 C ATOM 1543 C GLN B 53 -0.380 1.144 9.942 1.00 0.00 C ATOM 1544 O GLN B 53 -1.159 0.983 10.861 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.630 0.264 7.580 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.140 0.235 7.501 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.689 1.010 6.327 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -2.054 1.927 5.817 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -3.893 0.664 5.912 1.00 0.00 N ATOM 0 H GLN B 53 -1.705 -1.041 9.809 1.00 0.00 H new ATOM 0 HA GLN B 53 0.982 -0.125 8.922 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.273 1.236 7.241 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.222 -0.482 6.898 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.474 -0.800 7.433 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.554 0.643 8.423 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.387 -0.105 6.364 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.330 1.166 5.139 1.00 0.00 H new ATOM 1558 N LYS B 54 0.320 2.245 9.783 1.00 0.00 N ATOM 1559 CA LYS B 54 0.109 3.437 10.592 1.00 0.00 C ATOM 1560 C LYS B 54 0.313 4.632 9.692 1.00 0.00 C ATOM 1561 O LYS B 54 0.844 4.494 8.594 1.00 0.00 O ATOM 1562 CB LYS B 54 1.087 3.534 11.771 1.00 0.00 C ATOM 1563 CG LYS B 54 1.226 2.270 12.591 1.00 0.00 C ATOM 1564 CD LYS B 54 1.129 2.587 14.069 1.00 0.00 C ATOM 1565 CE LYS B 54 2.238 1.930 14.854 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.051 0.459 14.974 1.00 0.00 N ATOM 0 H LYS B 54 1.058 2.345 9.086 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.896 3.398 11.012 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.069 3.810 11.387 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.763 4.341 12.427 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.447 1.561 12.313 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.182 1.793 12.377 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.171 3.667 14.213 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.165 2.252 14.451 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.193 2.134 14.370 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.285 2.370 15.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.964 0.009 15.190 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.376 0.256 15.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.682 0.082 14.078 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.113 5.788 10.129 1.00 0.00 N ATOM 1581 CA ILE B 55 0.041 6.989 9.319 1.00 0.00 C ATOM 1582 C ILE B 55 0.481 8.163 10.156 1.00 0.00 C ATOM 1583 O ILE B 55 -0.088 8.385 11.194 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.307 7.377 8.675 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.401 7.201 9.717 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.591 6.553 7.436 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.818 7.341 9.237 1.00 0.00 C ATOM 0 H ILE B 55 -0.566 5.933 11.031 1.00 0.00 H new ATOM 0 HA ILE B 55 0.791 6.764 8.561 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.269 8.417 8.350 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.289 6.213 10.164 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.237 7.931 10.510 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.548 6.854 7.010 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.801 6.714 6.703 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.629 5.497 7.702 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.502 7.194 10.073 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.964 8.337 8.820 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -4.018 6.593 8.469 1.00 0.00 H new ATOM 1599 N SER B 56 1.489 8.912 9.739 1.00 0.00 N ATOM 1600 CA SER B 56 1.865 10.078 10.509 1.00 0.00 C ATOM 1601 C SER B 56 0.682 11.019 10.388 1.00 0.00 C ATOM 1602 O SER B 56 0.397 11.523 9.278 1.00 0.00 O ATOM 1603 CB SER B 56 3.187 10.702 10.033 1.00 0.00 C ATOM 1604 OG SER B 56 2.990 11.674 9.030 1.00 0.00 O ATOM 0 H SER B 56 2.043 8.740 8.900 1.00 0.00 H new ATOM 0 HA SER B 56 2.068 9.829 11.550 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.698 11.157 10.882 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.840 9.917 9.652 1.00 0.00 H new ATOM 0 HG SER B 56 3.623 12.411 9.160 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.044 11.180 11.522 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.287 11.949 11.631 1.00 0.00 C ATOM 1612 C PRO B 57 -1.136 13.419 11.268 1.00 0.00 C ATOM 1613 O PRO B 57 -0.021 13.928 11.102 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.659 11.847 13.116 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.393 11.504 13.802 1.00 0.00 C ATOM 1616 CD PRO B 57 0.356 10.651 12.838 1.00 0.00 C ATOM 0 HA PRO B 57 -2.031 11.553 10.940 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.067 12.787 13.487 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.418 11.083 13.282 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.172 12.401 14.056 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.582 10.972 14.734 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.433 10.726 12.989 1.00 0.00 H new ATOM 0 HD3 PRO B 57 0.091 9.599 12.944 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.270 14.086 11.129 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.292 15.505 10.843 1.00 0.00 C ATOM 1626 C GLU B 58 -1.604 16.243 11.988 1.00 0.00 C ATOM 1627 O GLU B 58 -1.722 15.848 13.147 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.737 15.993 10.685 1.00 0.00 C ATOM 1629 CG GLU B 58 -4.314 15.792 9.289 1.00 0.00 C ATOM 1630 CD GLU B 58 -3.976 14.439 8.690 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -3.417 14.406 7.580 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.253 13.403 9.339 1.00 0.00 O ATOM 0 H GLU B 58 -3.193 13.660 11.211 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.765 15.702 9.909 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.366 15.470 11.405 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.780 17.053 10.935 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.398 15.902 9.332 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.939 16.577 8.632 1.00 0.00 H new ATOM 1639 N GLY B 59 -0.908 17.314 11.670 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.191 18.059 12.685 1.00 0.00 C ATOM 1641 C GLY B 59 1.301 17.980 12.461 1.00 0.00 C ATOM 1642 O GLY B 59 2.030 18.923 12.766 1.00 0.00 O ATOM 0 H GLY B 59 -0.823 17.687 10.724 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.510 19.101 12.670 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -0.436 17.665 13.671 1.00 0.00 H new ATOM 1646 N LYS B 60 1.763 16.850 11.931 1.00 0.00 N ATOM 1647 CA LYS B 60 3.173 16.700 11.607 1.00 0.00 C ATOM 1648 C LYS B 60 3.458 17.561 10.384 1.00 0.00 C ATOM 1649 O LYS B 60 2.560 17.806 9.578 1.00 0.00 O ATOM 1650 CB LYS B 60 3.549 15.235 11.316 1.00 0.00 C ATOM 1651 CG LYS B 60 4.015 14.429 12.529 1.00 0.00 C ATOM 1652 CD LYS B 60 4.788 13.189 12.093 1.00 0.00 C ATOM 1653 CE LYS B 60 5.641 12.605 13.212 1.00 0.00 C ATOM 1654 NZ LYS B 60 6.728 13.511 13.663 1.00 0.00 N ATOM 0 H LYS B 60 1.187 16.035 11.720 1.00 0.00 H new ATOM 0 HA LYS B 60 3.771 17.014 12.462 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.685 14.735 10.878 1.00 0.00 H new ATOM 0 HB3 LYS B 60 4.339 15.222 10.566 1.00 0.00 H new ATOM 0 HG2 LYS B 60 4.646 15.051 13.164 1.00 0.00 H new ATOM 0 HG3 LYS B 60 3.153 14.134 13.127 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.086 12.432 11.744 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.428 13.443 11.248 1.00 0.00 H new ATOM 0 HE2 LYS B 60 5.000 12.369 14.061 1.00 0.00 H new ATOM 0 HE3 LYS B 60 6.079 11.666 12.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 7.279 13.046 14.412 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 7.352 13.731 12.860 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 6.315 14.391 14.032 1.00 0.00 H new ATOM 1668 N ALA B 61 4.692 18.020 10.237 1.00 0.00 N ATOM 1669 CA ALA B 61 5.056 18.863 9.099 1.00 0.00 C ATOM 1670 C ALA B 61 4.971 18.088 7.789 1.00 0.00 C ATOM 1671 O ALA B 61 4.972 18.673 6.708 1.00 0.00 O ATOM 1672 CB ALA B 61 6.453 19.433 9.290 1.00 0.00 C ATOM 0 H ALA B 61 5.456 17.827 10.884 1.00 0.00 H new ATOM 0 HA ALA B 61 4.344 19.687 9.047 1.00 0.00 H new ATOM 0 HB1 ALA B 61 6.711 20.058 8.435 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.480 20.033 10.200 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.171 18.617 9.372 1.00 0.00 H new ATOM 1678 N LYS B 62 4.887 16.774 7.900 1.00 0.00 N ATOM 1679 CA LYS B 62 4.807 15.911 6.738 1.00 0.00 C ATOM 1680 C LYS B 62 3.894 14.724 7.018 1.00 0.00 C ATOM 1681 O LYS B 62 4.045 14.038 8.029 1.00 0.00 O ATOM 1682 CB LYS B 62 6.206 15.433 6.346 1.00 0.00 C ATOM 1683 CG LYS B 62 7.207 15.494 7.488 1.00 0.00 C ATOM 1684 CD LYS B 62 8.638 15.519 6.984 1.00 0.00 C ATOM 1685 CE LYS B 62 9.097 14.146 6.528 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.488 14.178 6.014 1.00 0.00 N ATOM 0 H LYS B 62 4.872 16.279 8.792 1.00 0.00 H new ATOM 0 HA LYS B 62 4.385 16.477 5.907 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.143 14.407 5.983 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.572 16.042 5.519 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.018 16.383 8.089 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.067 14.632 8.140 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.720 16.224 6.156 1.00 0.00 H new ATOM 0 HD3 LYS B 62 9.296 15.879 7.775 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.032 13.445 7.360 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.429 13.779 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.494 13.899 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.871 15.141 6.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 11.076 13.517 6.561 1.00 0.00 H new ATOM 1700 N ILE B 63 2.940 14.510 6.127 1.00 0.00 N ATOM 1701 CA ILE B 63 1.988 13.411 6.246 1.00 0.00 C ATOM 1702 C ILE B 63 2.622 12.134 5.710 1.00 0.00 C ATOM 1703 O ILE B 63 3.051 12.096 4.554 1.00 0.00 O ATOM 1704 CB ILE B 63 0.697 13.736 5.470 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.060 15.011 6.025 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.280 12.581 5.538 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.280 16.228 5.152 1.00 0.00 C ATOM 0 H ILE B 63 2.801 15.091 5.300 1.00 0.00 H new ATOM 0 HA ILE B 63 1.729 13.270 7.295 1.00 0.00 H new ATOM 0 HB ILE B 63 0.954 13.897 4.423 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -1.011 14.849 6.145 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.466 15.208 7.017 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.183 12.835 4.983 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.176 11.692 5.102 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.538 12.383 6.578 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.199 17.094 5.608 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.349 16.416 5.052 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.151 16.052 4.167 1.00 0.00 H new ATOM 1719 N GLN B 64 2.694 11.083 6.529 1.00 0.00 N ATOM 1720 CA GLN B 64 3.368 9.862 6.078 1.00 0.00 C ATOM 1721 C GLN B 64 2.630 8.581 6.448 1.00 0.00 C ATOM 1722 O GLN B 64 1.647 8.604 7.178 1.00 0.00 O ATOM 1723 CB GLN B 64 4.782 9.827 6.662 1.00 0.00 C ATOM 1724 CG GLN B 64 5.620 11.029 6.265 1.00 0.00 C ATOM 1725 CD GLN B 64 6.677 11.386 7.282 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.804 10.900 7.222 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.322 12.250 8.217 1.00 0.00 N ATOM 0 H GLN B 64 2.310 11.048 7.473 1.00 0.00 H new ATOM 0 HA GLN B 64 3.391 9.898 4.989 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.719 9.779 7.749 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.283 8.917 6.331 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.101 10.827 5.308 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.964 11.887 6.117 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.375 12.628 8.229 1.00 0.00 H new ATOM 0 HE22 GLN B 64 6.995 12.538 8.927 1.00 0.00 H new ATOM 1736 N LEU B 65 3.090 7.471 5.881 1.00 0.00 N ATOM 1737 CA LEU B 65 2.530 6.155 6.161 1.00 0.00 C ATOM 1738 C LEU B 65 3.626 5.242 6.715 1.00 0.00 C ATOM 1739 O LEU B 65 4.797 5.394 6.367 1.00 0.00 O ATOM 1740 CB LEU B 65 1.951 5.525 4.894 1.00 0.00 C ATOM 1741 CG LEU B 65 1.151 4.239 5.126 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.317 4.538 5.340 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.328 3.269 3.982 1.00 0.00 C ATOM 0 H LEU B 65 3.862 7.459 5.214 1.00 0.00 H new ATOM 0 HA LEU B 65 1.730 6.272 6.892 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.306 6.254 4.404 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.768 5.309 4.206 1.00 0.00 H new ATOM 0 HG LEU B 65 1.541 3.774 6.031 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.858 3.606 5.502 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.434 5.182 6.212 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.718 5.042 4.461 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.748 2.367 4.177 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.982 3.730 3.057 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.382 3.009 3.885 1.00 0.00 H new ATOM 1755 N GLN B 66 3.247 4.316 7.581 1.00 0.00 N ATOM 1756 CA GLN B 66 4.182 3.377 8.178 1.00 0.00 C ATOM 1757 C GLN B 66 3.659 1.949 8.075 1.00 0.00 C ATOM 1758 O GLN B 66 2.579 1.646 8.566 1.00 0.00 O ATOM 1759 CB GLN B 66 4.383 3.736 9.644 1.00 0.00 C ATOM 1760 CG GLN B 66 5.399 2.865 10.364 1.00 0.00 C ATOM 1761 CD GLN B 66 5.766 3.410 11.730 1.00 0.00 C ATOM 1762 OE1 GLN B 66 5.085 3.147 12.722 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.852 4.164 11.786 1.00 0.00 N ATOM 0 H GLN B 66 2.282 4.194 7.890 1.00 0.00 H new ATOM 0 HA GLN B 66 5.129 3.438 7.641 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.700 4.777 9.712 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.426 3.660 10.160 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.996 1.858 10.474 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.299 2.783 9.755 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.385 4.355 10.937 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.156 4.554 12.678 1.00 0.00 H new ATOM 1772 N LEU B 67 4.413 1.082 7.427 1.00 0.00 N ATOM 1773 CA LEU B 67 4.016 -0.312 7.296 1.00 0.00 C ATOM 1774 C LEU B 67 4.666 -1.156 8.379 1.00 0.00 C ATOM 1775 O LEU B 67 5.885 -1.287 8.408 1.00 0.00 O ATOM 1776 CB LEU B 67 4.418 -0.868 5.931 1.00 0.00 C ATOM 1777 CG LEU B 67 3.582 -0.389 4.752 1.00 0.00 C ATOM 1778 CD1 LEU B 67 3.978 -1.147 3.499 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.098 -0.567 5.039 1.00 0.00 C ATOM 0 H LEU B 67 5.302 1.314 6.983 1.00 0.00 H new ATOM 0 HA LEU B 67 2.932 -0.355 7.398 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.460 -0.606 5.745 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.365 -1.956 5.972 1.00 0.00 H new ATOM 0 HG LEU B 67 3.770 0.673 4.596 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.377 -0.800 2.659 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.033 -0.973 3.287 1.00 0.00 H new ATOM 0 HD13 LEU B 67 3.809 -2.213 3.650 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.518 -0.219 4.184 1.00 0.00 H new ATOM 0 HD22 LEU B 67 1.886 -1.621 5.217 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.826 0.011 5.922 1.00 0.00 H new ATOM 1791 N VAL B 68 3.863 -1.720 9.267 1.00 0.00 N ATOM 1792 CA VAL B 68 4.396 -2.562 10.325 1.00 0.00 C ATOM 1793 C VAL B 68 4.276 -4.020 9.924 1.00 0.00 C ATOM 1794 O VAL B 68 3.174 -4.538 9.730 1.00 0.00 O ATOM 1795 CB VAL B 68 3.691 -2.340 11.678 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.216 -3.313 12.723 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.899 -0.917 12.149 1.00 0.00 C ATOM 0 H VAL B 68 2.849 -1.611 9.277 1.00 0.00 H new ATOM 0 HA VAL B 68 5.442 -2.286 10.458 1.00 0.00 H new ATOM 0 HB VAL B 68 2.624 -2.518 11.541 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.706 -3.140 13.670 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.032 -4.335 12.393 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.287 -3.162 12.855 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.396 -0.773 13.105 1.00 0.00 H new ATOM 0 HG22 VAL B 68 4.965 -0.725 12.267 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.485 -0.226 11.414 1.00 0.00 H new ATOM 1807 N LEU B 69 5.412 -4.676 9.789 1.00 0.00 N ATOM 1808 CA LEU B 69 5.434 -6.066 9.392 1.00 0.00 C ATOM 1809 C LEU B 69 5.154 -6.974 10.591 1.00 0.00 C ATOM 1810 O LEU B 69 4.910 -6.497 11.702 1.00 0.00 O ATOM 1811 CB LEU B 69 6.755 -6.424 8.722 1.00 0.00 C ATOM 1812 CG LEU B 69 7.137 -5.583 7.497 1.00 0.00 C ATOM 1813 CD1 LEU B 69 7.963 -6.414 6.538 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.922 -5.006 6.788 1.00 0.00 C ATOM 0 H LEU B 69 6.332 -4.266 9.949 1.00 0.00 H new ATOM 0 HA LEU B 69 4.642 -6.223 8.660 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.551 -6.335 9.462 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.715 -7.471 8.421 1.00 0.00 H new ATOM 0 HG LEU B 69 7.728 -4.739 7.851 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.230 -5.810 5.671 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.870 -6.752 7.038 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.384 -7.278 6.214 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.247 -4.419 5.929 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.278 -5.818 6.451 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.369 -4.366 7.476 1.00 0.00 H new ATOM 1826 N HIS B 70 5.207 -8.278 10.370 1.00 0.00 N ATOM 1827 CA HIS B 70 4.906 -9.250 11.421 1.00 0.00 C ATOM 1828 C HIS B 70 5.938 -9.285 12.548 1.00 0.00 C ATOM 1829 O HIS B 70 5.571 -9.476 13.710 1.00 0.00 O ATOM 1830 CB HIS B 70 4.747 -10.647 10.820 1.00 0.00 C ATOM 1831 CG HIS B 70 3.609 -10.739 9.856 1.00 0.00 C ATOM 1832 ND1 HIS B 70 2.308 -10.422 10.175 1.00 0.00 N ATOM 1833 CD2 HIS B 70 3.601 -11.076 8.545 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.568 -10.560 9.073 1.00 0.00 C ATOM 1835 NE2 HIS B 70 2.304 -10.960 8.055 1.00 0.00 N ATOM 0 H HIS B 70 5.456 -8.693 9.472 1.00 0.00 H new ATOM 0 HA HIS B 70 3.969 -8.922 11.872 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.670 -10.926 10.312 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.595 -11.368 11.624 1.00 0.00 H new ATOM 0 HD2 HIS B 70 4.463 -11.385 7.972 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.506 -10.369 9.022 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.988 -11.146 7.103 1.00 0.00 H new ATOM 1843 N ALA B 71 7.208 -9.073 12.235 1.00 0.00 N ATOM 1844 CA ALA B 71 8.254 -9.133 13.255 1.00 0.00 C ATOM 1845 C ALA B 71 8.475 -7.785 13.935 1.00 0.00 C ATOM 1846 O ALA B 71 9.371 -7.640 14.765 1.00 0.00 O ATOM 1847 CB ALA B 71 9.554 -9.638 12.646 1.00 0.00 C ATOM 0 H ALA B 71 7.540 -8.860 11.295 1.00 0.00 H new ATOM 0 HA ALA B 71 7.920 -9.831 14.023 1.00 0.00 H new ATOM 0 HB1 ALA B 71 10.325 -9.678 13.416 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.400 -10.636 12.235 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.870 -8.963 11.851 1.00 0.00 H new ATOM 1853 N GLY B 72 7.639 -6.811 13.606 1.00 0.00 N ATOM 1854 CA GLY B 72 7.784 -5.492 14.191 1.00 0.00 C ATOM 1855 C GLY B 72 8.602 -4.595 13.295 1.00 0.00 C ATOM 1856 O GLY B 72 9.148 -3.578 13.726 1.00 0.00 O ATOM 0 H GLY B 72 6.866 -6.908 12.948 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.800 -5.051 14.354 1.00 0.00 H new ATOM 0 HA3 GLY B 72 8.263 -5.573 15.167 1.00 0.00 H new ATOM 1860 N ASP B 73 8.666 -4.986 12.036 1.00 0.00 N ATOM 1861 CA ASP B 73 9.411 -4.262 11.022 1.00 0.00 C ATOM 1862 C ASP B 73 8.583 -3.077 10.586 1.00 0.00 C ATOM 1863 O ASP B 73 7.361 -3.111 10.704 1.00 0.00 O ATOM 1864 CB ASP B 73 9.692 -5.171 9.819 1.00 0.00 C ATOM 1865 CG ASP B 73 9.917 -6.621 10.208 1.00 0.00 C ATOM 1866 OD1 ASP B 73 8.926 -7.300 10.575 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.071 -7.085 10.136 1.00 0.00 O ATOM 0 H ASP B 73 8.199 -5.822 11.685 1.00 0.00 H new ATOM 0 HA ASP B 73 10.366 -3.929 11.429 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.854 -5.113 9.124 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.571 -4.802 9.290 1.00 0.00 H new ATOM 1872 N THR B 74 9.212 -2.032 10.089 1.00 0.00 N ATOM 1873 CA THR B 74 8.458 -0.867 9.677 1.00 0.00 C ATOM 1874 C THR B 74 9.056 -0.183 8.454 1.00 0.00 C ATOM 1875 O THR B 74 10.270 -0.003 8.350 1.00 0.00 O ATOM 1876 CB THR B 74 8.357 0.153 10.828 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.576 0.162 11.581 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.199 -0.172 11.754 1.00 0.00 C ATOM 0 H THR B 74 10.222 -1.965 9.962 1.00 0.00 H new ATOM 0 HA THR B 74 7.464 -1.226 9.409 1.00 0.00 H new ATOM 0 HB THR B 74 8.184 1.135 10.389 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.506 0.814 12.310 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.155 0.566 12.555 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.266 -0.152 11.191 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.343 -1.164 12.182 1.00 0.00 H new ATOM 1886 N THR B 75 8.186 0.168 7.522 1.00 0.00 N ATOM 1887 CA THR B 75 8.579 0.863 6.314 1.00 0.00 C ATOM 1888 C THR B 75 7.851 2.203 6.250 1.00 0.00 C ATOM 1889 O THR B 75 6.623 2.244 6.139 1.00 0.00 O ATOM 1890 CB THR B 75 8.251 0.032 5.061 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.325 -1.368 5.372 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.218 0.360 3.934 1.00 0.00 C ATOM 0 H THR B 75 7.186 -0.023 7.585 1.00 0.00 H new ATOM 0 HA THR B 75 9.657 1.022 6.339 1.00 0.00 H new ATOM 0 HB THR B 75 7.240 0.278 4.736 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.763 -1.844 4.636 1.00 0.00 H new ATOM 0 HG21 THR B 75 8.970 -0.237 3.057 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.142 1.419 3.686 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.236 0.134 4.251 1.00 0.00 H new ATOM 1900 N ASN B 76 8.603 3.289 6.344 1.00 0.00 N ATOM 1901 CA ASN B 76 8.021 4.627 6.332 1.00 0.00 C ATOM 1902 C ASN B 76 7.983 5.217 4.930 1.00 0.00 C ATOM 1903 O ASN B 76 8.954 5.128 4.181 1.00 0.00 O ATOM 1904 CB ASN B 76 8.807 5.556 7.259 1.00 0.00 C ATOM 1905 CG ASN B 76 8.464 5.355 8.721 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.971 4.302 9.125 1.00 0.00 O ATOM 1907 ND2 ASN B 76 8.726 6.365 9.528 1.00 0.00 N ATOM 0 H ASN B 76 9.619 3.272 6.430 1.00 0.00 H new ATOM 0 HA ASN B 76 6.994 4.537 6.687 1.00 0.00 H new ATOM 0 HB2 ASN B 76 9.874 5.388 7.115 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.607 6.591 6.983 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.520 6.289 10.524 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.135 7.222 9.156 1.00 0.00 H new ATOM 1914 N PHE B 77 6.851 5.812 4.585 1.00 0.00 N ATOM 1915 CA PHE B 77 6.666 6.438 3.285 1.00 0.00 C ATOM 1916 C PHE B 77 6.132 7.856 3.452 1.00 0.00 C ATOM 1917 O PHE B 77 4.997 8.055 3.889 1.00 0.00 O ATOM 1918 CB PHE B 77 5.705 5.615 2.424 1.00 0.00 C ATOM 1919 CG PHE B 77 6.238 4.258 2.073 1.00 0.00 C ATOM 1920 CD1 PHE B 77 7.417 4.131 1.359 1.00 0.00 C ATOM 1921 CD2 PHE B 77 5.563 3.111 2.456 1.00 0.00 C ATOM 1922 CE1 PHE B 77 7.916 2.887 1.035 1.00 0.00 C ATOM 1923 CE2 PHE B 77 6.057 1.862 2.133 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.234 1.750 1.421 1.00 0.00 C ATOM 0 H PHE B 77 6.037 5.874 5.197 1.00 0.00 H new ATOM 0 HA PHE B 77 7.633 6.481 2.784 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.760 5.500 2.955 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.491 6.162 1.506 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.953 5.017 1.052 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.641 3.194 3.013 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.839 2.802 0.480 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.523 0.974 2.437 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.621 0.775 1.166 1.00 0.00 H new ATOM 1934 N HIS B 78 6.959 8.832 3.115 1.00 0.00 N ATOM 1935 CA HIS B 78 6.589 10.236 3.226 1.00 0.00 C ATOM 1936 C HIS B 78 5.985 10.738 1.926 1.00 0.00 C ATOM 1937 O HIS B 78 6.602 10.651 0.873 1.00 0.00 O ATOM 1938 CB HIS B 78 7.831 11.064 3.597 1.00 0.00 C ATOM 1939 CG HIS B 78 7.691 12.557 3.450 1.00 0.00 C ATOM 1940 ND1 HIS B 78 8.759 13.397 3.231 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.593 13.356 3.482 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.291 14.648 3.132 1.00 0.00 C ATOM 1943 NE2 HIS B 78 6.981 14.676 3.277 1.00 0.00 N ATOM 0 H HIS B 78 7.902 8.676 2.758 1.00 0.00 H new ATOM 0 HA HIS B 78 5.838 10.344 4.008 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.096 10.843 4.631 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.664 10.733 2.976 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.579 13.020 3.641 1.00 0.00 H new ATOM 0 HE1 HIS B 78 8.906 15.519 2.957 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.376 15.497 3.245 1.00 0.00 H new ATOM 1951 N PHE B 79 4.780 11.266 2.007 1.00 0.00 N ATOM 1952 CA PHE B 79 4.117 11.808 0.838 1.00 0.00 C ATOM 1953 C PHE B 79 4.587 13.240 0.630 1.00 0.00 C ATOM 1954 O PHE B 79 3.952 14.190 1.085 1.00 0.00 O ATOM 1955 CB PHE B 79 2.598 11.740 1.009 1.00 0.00 C ATOM 1956 CG PHE B 79 2.087 10.331 1.140 1.00 0.00 C ATOM 1957 CD1 PHE B 79 1.624 9.645 0.031 1.00 0.00 C ATOM 1958 CD2 PHE B 79 2.084 9.691 2.369 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.165 8.347 0.144 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.624 8.394 2.489 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.165 7.721 1.374 1.00 0.00 C ATOM 0 H PHE B 79 4.240 11.331 2.870 1.00 0.00 H new ATOM 0 HA PHE B 79 4.372 11.219 -0.043 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.311 12.309 1.893 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.119 12.217 0.154 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.621 10.130 -0.934 1.00 0.00 H new ATOM 0 HD2 PHE B 79 2.445 10.212 3.243 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.806 7.823 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE B 79 1.623 7.907 3.453 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.807 6.706 1.464 1.00 0.00 H new ATOM 1971 N SER B 80 5.727 13.378 -0.038 1.00 0.00 N ATOM 1972 CA SER B 80 6.332 14.676 -0.289 1.00 0.00 C ATOM 1973 C SER B 80 5.596 15.457 -1.376 1.00 0.00 C ATOM 1974 O SER B 80 5.965 16.588 -1.690 1.00 0.00 O ATOM 1975 CB SER B 80 7.810 14.498 -0.655 1.00 0.00 C ATOM 1976 OG SER B 80 8.042 13.252 -1.296 1.00 0.00 O ATOM 0 H SER B 80 6.255 12.593 -0.419 1.00 0.00 H new ATOM 0 HA SER B 80 6.254 15.262 0.627 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.123 15.310 -1.311 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.419 14.564 0.246 1.00 0.00 H new ATOM 0 HG SER B 80 8.796 13.339 -1.916 1.00 0.00 H new ATOM 1982 N ASN B 81 4.569 14.854 -1.958 1.00 0.00 N ATOM 1983 CA ASN B 81 3.787 15.519 -2.990 1.00 0.00 C ATOM 1984 C ASN B 81 2.829 16.515 -2.353 1.00 0.00 C ATOM 1985 O ASN B 81 1.751 16.148 -1.899 1.00 0.00 O ATOM 1986 CB ASN B 81 3.014 14.503 -3.829 1.00 0.00 C ATOM 1987 CG ASN B 81 2.369 15.131 -5.051 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.805 16.176 -5.537 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.330 14.496 -5.554 1.00 0.00 N ATOM 0 H ASN B 81 4.259 13.909 -1.734 1.00 0.00 H new ATOM 0 HA ASN B 81 4.470 16.053 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.690 13.709 -4.146 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.244 14.039 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.855 14.867 -6.377 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.001 13.633 -5.121 1.00 0.00 H new ATOM 1996 N GLU B 82 3.235 17.773 -2.333 1.00 0.00 N ATOM 1997 CA GLU B 82 2.452 18.851 -1.737 1.00 0.00 C ATOM 1998 C GLU B 82 1.043 18.915 -2.323 1.00 0.00 C ATOM 1999 O GLU B 82 0.077 19.230 -1.624 1.00 0.00 O ATOM 2000 CB GLU B 82 3.169 20.191 -1.958 1.00 0.00 C ATOM 2001 CG GLU B 82 4.620 20.209 -1.482 1.00 0.00 C ATOM 2002 CD GLU B 82 5.611 19.715 -2.528 1.00 0.00 C ATOM 2003 OE1 GLU B 82 6.823 19.963 -2.371 1.00 0.00 O ATOM 2004 OE2 GLU B 82 5.187 19.056 -3.508 1.00 0.00 O ATOM 0 H GLU B 82 4.122 18.081 -2.731 1.00 0.00 H new ATOM 0 HA GLU B 82 2.360 18.650 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU B 82 3.144 20.433 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.618 20.975 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU B 82 4.886 21.226 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.708 19.590 -0.589 1.00 0.00 H new ATOM 2011 N SER B 83 0.938 18.598 -3.604 1.00 0.00 N ATOM 2012 CA SER B 83 -0.327 18.626 -4.319 1.00 0.00 C ATOM 2013 C SER B 83 -1.389 17.713 -3.688 1.00 0.00 C ATOM 2014 O SER B 83 -2.504 18.157 -3.382 1.00 0.00 O ATOM 2015 CB SER B 83 -0.085 18.215 -5.771 1.00 0.00 C ATOM 2016 OG SER B 83 1.270 18.435 -6.135 1.00 0.00 O ATOM 0 H SER B 83 1.731 18.313 -4.179 1.00 0.00 H new ATOM 0 HA SER B 83 -0.716 19.643 -4.264 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.336 17.163 -5.903 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.741 18.784 -6.430 1.00 0.00 H new ATOM 0 HG SER B 83 1.797 17.633 -5.935 1.00 0.00 H new ATOM 2022 N THR B 84 -1.057 16.445 -3.491 1.00 0.00 N ATOM 2023 CA THR B 84 -2.012 15.492 -2.942 1.00 0.00 C ATOM 2024 C THR B 84 -1.430 14.644 -1.805 1.00 0.00 C ATOM 2025 O THR B 84 -1.771 13.482 -1.684 1.00 0.00 O ATOM 2026 CB THR B 84 -2.515 14.561 -4.066 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.495 14.413 -5.056 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.770 15.109 -4.725 1.00 0.00 C ATOM 0 H THR B 84 -0.139 16.053 -3.702 1.00 0.00 H new ATOM 0 HA THR B 84 -2.833 16.073 -2.521 1.00 0.00 H new ATOM 0 HB THR B 84 -2.755 13.596 -3.619 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.772 13.855 -4.700 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.095 14.428 -5.511 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.559 15.206 -3.980 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.557 16.087 -5.157 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.614 15.241 -0.943 1.00 0.00 N ATOM 2037 CA ALA B 85 0.020 14.507 0.163 1.00 0.00 C ATOM 2038 C ALA B 85 -0.997 13.769 1.029 1.00 0.00 C ATOM 2039 O ALA B 85 -1.047 12.540 1.037 1.00 0.00 O ATOM 2040 CB ALA B 85 0.837 15.454 1.026 1.00 0.00 C ATOM 0 H ALA B 85 -0.372 16.231 -0.983 1.00 0.00 H new ATOM 0 HA ALA B 85 0.675 13.760 -0.286 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.300 14.896 1.840 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.613 15.922 0.419 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.185 16.224 1.438 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.799 14.532 1.756 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.825 13.975 2.632 1.00 0.00 C ATOM 2048 C VAL B 86 -3.797 13.091 1.845 1.00 0.00 C ATOM 2049 O VAL B 86 -4.192 12.017 2.295 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.614 15.109 3.322 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.753 14.562 4.167 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.711 15.964 4.176 1.00 0.00 C ATOM 0 H VAL B 86 -1.759 15.551 1.757 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.325 13.366 3.386 1.00 0.00 H new ATOM 0 HB VAL B 86 -4.036 15.728 2.530 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.286 15.388 4.637 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.440 14.001 3.533 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.351 13.904 4.937 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.297 16.753 4.648 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.247 15.347 4.945 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.936 16.411 3.553 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.133 13.543 0.644 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.073 12.841 -0.222 1.00 0.00 C ATOM 2064 C LYS B 87 -4.536 11.476 -0.667 1.00 0.00 C ATOM 2065 O LYS B 87 -5.237 10.469 -0.567 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.402 13.720 -1.432 1.00 0.00 C ATOM 2067 CG LYS B 87 -5.849 15.125 -1.045 1.00 0.00 C ATOM 2068 CD LYS B 87 -5.674 16.111 -2.189 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.639 17.550 -1.695 1.00 0.00 C ATOM 2070 NZ LYS B 87 -5.120 18.485 -2.733 1.00 0.00 N ATOM 0 H LYS B 87 -3.763 14.405 0.243 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.983 12.649 0.346 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.524 13.788 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.188 13.243 -2.017 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.896 15.102 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -5.275 15.464 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -4.751 15.888 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -6.491 15.991 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.643 17.857 -1.400 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -5.013 17.613 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.270 19.466 -2.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.103 18.318 -2.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -5.625 18.325 -3.628 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.296 11.439 -1.146 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.690 10.188 -1.591 1.00 0.00 C ATOM 2086 C GLU B 88 -2.417 9.287 -0.395 1.00 0.00 C ATOM 2087 O GLU B 88 -2.488 8.064 -0.502 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.395 10.448 -2.375 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.625 11.122 -3.719 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.336 11.541 -4.404 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.158 12.646 -4.102 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.169 10.786 -5.259 1.00 0.00 O ATOM 0 H GLU B 88 -2.693 12.257 -1.236 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.390 9.687 -2.260 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.734 11.072 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.880 9.501 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.171 10.441 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.255 12.000 -3.575 1.00 0.00 H new ATOM 2099 N ARG B 89 -2.121 9.900 0.750 1.00 0.00 N ATOM 2100 CA ARG B 89 -1.861 9.150 1.972 1.00 0.00 C ATOM 2101 C ARG B 89 -3.074 8.312 2.334 1.00 0.00 C ATOM 2102 O ARG B 89 -2.965 7.106 2.533 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.520 10.086 3.136 1.00 0.00 C ATOM 2104 CG ARG B 89 -1.245 9.357 4.447 1.00 0.00 C ATOM 2105 CD ARG B 89 -2.416 9.462 5.417 1.00 0.00 C ATOM 2106 NE ARG B 89 -2.043 10.167 6.643 1.00 0.00 N ATOM 2107 CZ ARG B 89 -2.813 11.074 7.253 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -4.043 11.326 6.820 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -2.355 11.726 8.313 1.00 0.00 N ATOM 0 H ARG B 89 -2.056 10.913 0.854 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.005 8.500 1.791 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -0.645 10.679 2.870 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.345 10.783 3.284 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.038 8.307 4.241 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.351 9.773 4.912 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.242 9.984 4.934 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -2.772 8.463 5.666 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.137 9.953 7.060 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.412 10.825 6.012 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -4.619 12.021 7.296 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -1.416 11.535 8.662 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -2.942 12.418 8.779 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.225 8.962 2.403 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.469 8.286 2.746 1.00 0.00 C ATOM 2125 C ASP B 90 -5.870 7.291 1.667 1.00 0.00 C ATOM 2126 O ASP B 90 -6.487 6.271 1.964 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.581 9.299 2.999 1.00 0.00 C ATOM 2128 CG ASP B 90 -6.632 9.701 4.459 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.695 9.519 5.089 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -5.596 10.150 4.991 1.00 0.00 O ATOM 0 H ASP B 90 -4.325 9.961 2.225 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.305 7.726 3.666 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.420 10.182 2.381 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.539 8.873 2.702 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.508 7.574 0.418 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.814 6.671 -0.678 1.00 0.00 C ATOM 2137 C ALA B 91 -5.042 5.370 -0.493 1.00 0.00 C ATOM 2138 O ALA B 91 -5.586 4.280 -0.662 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.478 7.314 -2.014 1.00 0.00 C ATOM 0 H ALA B 91 -5.005 8.418 0.145 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.882 6.454 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.715 6.621 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.062 8.226 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.416 7.557 -2.044 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.770 5.500 -0.127 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.914 4.343 0.112 1.00 0.00 C ATOM 2147 C VAL B 92 -3.355 3.656 1.390 1.00 0.00 C ATOM 2148 O VAL B 92 -3.386 2.437 1.487 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.428 4.755 0.259 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.565 3.571 0.665 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.905 5.366 -1.025 1.00 0.00 C ATOM 0 H VAL B 92 -3.308 6.399 0.011 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.004 3.673 -0.743 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.374 5.505 1.048 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.472 3.892 0.760 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.912 3.178 1.621 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.635 2.792 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.140 5.647 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.988 4.640 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.490 6.252 -1.271 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.743 4.482 2.341 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.174 4.043 3.647 1.00 0.00 C ATOM 2163 C LYS B 93 -5.425 3.178 3.552 1.00 0.00 C ATOM 2164 O LYS B 93 -5.405 2.019 3.966 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.402 5.290 4.504 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.466 5.169 5.575 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.710 6.516 6.229 1.00 0.00 C ATOM 2168 CE LYS B 93 -7.089 6.597 6.851 1.00 0.00 C ATOM 2169 NZ LYS B 93 -8.117 7.085 5.887 1.00 0.00 N ATOM 0 H LYS B 93 -3.767 5.495 2.223 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.411 3.417 4.109 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.460 5.556 4.983 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.669 6.117 3.845 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.392 4.797 5.137 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.155 4.443 6.326 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -4.955 6.690 6.995 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.599 7.306 5.486 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.378 5.612 7.219 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.058 7.263 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.059 7.028 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.913 8.073 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.097 6.496 5.030 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.490 3.731 2.981 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.757 3.016 2.835 1.00 0.00 C ATOM 2185 C ASP B 94 -7.627 1.779 1.958 1.00 0.00 C ATOM 2186 O ASP B 94 -8.216 0.735 2.249 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.844 3.940 2.287 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.634 4.617 3.392 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -10.835 4.289 3.555 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -9.057 5.450 4.122 1.00 0.00 O ATOM 0 H ASP B 94 -6.502 4.680 2.608 1.00 0.00 H new ATOM 0 HA ASP B 94 -8.044 2.681 3.832 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.387 4.699 1.653 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.523 3.365 1.657 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.838 1.879 0.909 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.648 0.749 0.009 1.00 0.00 C ATOM 2197 C LEU B 95 -5.801 -0.312 0.695 1.00 0.00 C ATOM 2198 O LEU B 95 -5.957 -1.502 0.436 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.998 1.192 -1.305 1.00 0.00 C ATOM 2200 CG LEU B 95 -6.057 0.161 -2.437 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.498 -0.204 -2.759 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.354 0.691 -3.676 1.00 0.00 C ATOM 0 H LEU B 95 -6.320 2.720 0.655 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.624 0.328 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.484 2.108 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.954 1.437 -1.112 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.542 -0.740 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.516 -0.937 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.973 -0.627 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -8.039 0.690 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.405 -0.054 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.842 1.608 -4.007 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.310 0.899 -3.441 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.902 0.115 1.575 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.080 -0.827 2.313 1.00 0.00 C ATOM 2216 C LEU B 96 -4.954 -1.602 3.276 1.00 0.00 C ATOM 2217 O LEU B 96 -4.954 -2.818 3.245 1.00 0.00 O ATOM 2218 CB LEU B 96 -2.940 -0.140 3.050 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.644 -0.024 2.253 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.620 0.777 3.026 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.097 -1.402 1.927 1.00 0.00 C ATOM 0 H LEU B 96 -4.728 1.097 1.791 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.621 -1.512 1.600 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.263 0.860 3.340 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.737 -0.689 3.970 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.859 0.494 1.319 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.299 0.851 2.444 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.009 1.777 3.218 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.410 0.281 3.974 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.173 -1.301 1.358 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -0.897 -1.942 2.852 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.828 -1.953 1.336 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.708 -0.909 4.138 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.625 -1.594 5.042 1.00 0.00 C ATOM 2235 C GLN B 97 -7.570 -2.509 4.258 1.00 0.00 C ATOM 2236 O GLN B 97 -8.174 -3.424 4.810 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.419 -0.579 5.861 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.642 0.742 5.169 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.962 1.869 6.132 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.617 2.844 5.776 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.549 1.727 7.364 1.00 0.00 N ATOM 0 H GLN B 97 -5.699 0.107 4.225 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.041 -2.210 5.726 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.387 -1.011 6.113 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -6.896 -0.400 6.800 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.751 1.002 4.598 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.459 0.639 4.455 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.006 0.905 7.628 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.769 2.438 8.061 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.710 -2.226 2.975 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.535 -3.024 2.086 1.00 0.00 C ATOM 2252 C GLN B 98 -7.791 -4.265 1.571 1.00 0.00 C ATOM 2253 O GLN B 98 -8.308 -5.378 1.639 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.980 -2.153 0.914 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.290 -1.445 1.170 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.456 -2.158 0.534 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.862 -1.840 -0.580 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.991 -3.137 1.236 1.00 0.00 N ATOM 0 H GLN B 98 -7.254 -1.435 2.520 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.401 -3.379 2.644 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.208 -1.413 0.705 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.077 -2.774 0.023 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.456 -1.368 2.245 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.233 -0.428 0.783 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.620 -3.365 2.158 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.776 -3.666 0.857 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.570 -4.069 1.083 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.775 -5.160 0.514 1.00 0.00 C ATOM 2269 C LEU B 99 -4.931 -5.921 1.543 1.00 0.00 C ATOM 2270 O LEU B 99 -4.580 -7.078 1.317 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.864 -4.607 -0.577 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.576 -4.229 -1.871 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.682 -3.367 -2.745 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -6.005 -5.478 -2.619 1.00 0.00 C ATOM 0 H LEU B 99 -6.105 -3.161 1.069 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.487 -5.879 0.109 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.350 -3.727 -0.191 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.099 -5.349 -0.803 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.465 -3.651 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.210 -3.109 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.419 -2.455 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.774 -3.917 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.512 -5.194 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.127 -6.079 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.684 -6.060 -1.996 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.600 -5.279 2.655 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.778 -5.903 3.694 1.00 0.00 C ATOM 2288 C LEU B 100 -4.387 -7.215 4.213 1.00 0.00 C ATOM 2289 O LEU B 100 -3.729 -8.253 4.163 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.505 -4.923 4.849 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.401 -3.899 4.556 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.271 -2.860 5.673 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.080 -4.612 4.339 1.00 0.00 C ATOM 0 H LEU B 100 -4.887 -4.323 2.865 1.00 0.00 H new ATOM 0 HA LEU B 100 -2.825 -6.158 3.231 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.426 -4.390 5.084 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.231 -5.493 5.737 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.677 -3.363 3.648 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.478 -2.155 5.424 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.213 -2.323 5.781 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.029 -3.362 6.610 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.301 -3.879 4.131 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -0.819 -5.175 5.235 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.170 -5.295 3.494 1.00 0.00 H new