USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 887 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 TYR OH : rot 150:sc= 0 USER MOD Set 1.2: A 125 LYS NZ :NH3+ 170:sc= -0.182 (180deg=-0.214) USER MOD Set 2.1: A 32 CYS SG : rot 161:sc= -0.846 USER MOD Set 2.2: A 35 CYS SG : rot -45:sc= -0.676! USER MOD Set 2.3: A 52 CYS SG : rot -136:sc= 2.19 USER MOD Set 2.4: A 55 CYS SG : rot 88:sc= 0.331 USER MOD Set 3.1: A 29 ASN : amide:sc= -5.66! C(o=-8.2!,f=-18!) USER MOD Set 3.2: A 90 ASN : amide:sc= -2.59! C(o=-8.2!,f=-19!) USER MOD Single : A 16 HIS : no HD1:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= -0.847 K(o=-0.85,f=-7.5!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= -1.23 (180deg=-2.29!) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= -0.646 (180deg=-0.695) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -76:sc= 0.637 USER MOD Single : A 46 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.06) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 65 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 67 SER OG : rot -26:sc= -0.539 USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -2.09! (180deg=-3!) USER MOD Single : A 71 SER OG : rot -120:sc= -3.1! USER MOD Single : A 73 ASN : amide:sc= -0.616 K(o=-0.62,f=-1.6!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 81 GLN : amide:sc= -4.91! C(o=-4.9!,f=-5.3!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 CYS SG : rot 67:sc= 0.0245 USER MOD Single : A 85 MET CE :methyl -126:sc= -1.64 (180deg=-1.92) USER MOD Single : A 86 GLN : amide:sc= -12.4! C(o=-12!,f=-20!) USER MOD Single : A 88 MET CE :methyl -114:sc= -2.52 (180deg=-5.06!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= 0.0926 (180deg=-0.143) USER MOD Single : A 100 ASN : amide:sc= 0.614 K(o=0.61,f=-0.049) USER MOD Single : A 109 GLN : amide:sc= -0.794 X(o=-0.79,f=-0.39) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -137:sc= -0.525 (180deg=-1.34) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -106:sc= -0.401 (180deg=-3.1!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 16 -10.727 -1.913 7.633 1.00 0.00 N ATOM 203 CA HIS A 16 -9.276 -1.832 7.509 1.00 0.00 C ATOM 204 C HIS A 16 -8.657 -3.225 7.441 1.00 0.00 C ATOM 205 O HIS A 16 -8.178 -3.650 6.391 1.00 0.00 O ATOM 206 CB HIS A 16 -8.685 -1.055 8.686 1.00 0.00 C ATOM 207 CG HIS A 16 -9.566 0.051 9.177 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.757 1.227 8.481 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.313 0.156 10.301 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.581 2.007 9.157 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.933 1.381 10.265 1.00 0.00 N ATOM 0 HA HIS A 16 -9.044 -1.306 6.583 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.492 -1.746 9.507 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.723 -0.637 8.388 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.404 -0.585 11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.911 2.990 8.855 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.563 1.748 10.978 1.00 0.00 H new ATOM 219 N GLN A 17 -8.671 -3.929 8.569 1.00 0.00 N ATOM 220 CA GLN A 17 -8.111 -5.273 8.637 1.00 0.00 C ATOM 221 C GLN A 17 -8.355 -6.031 7.336 1.00 0.00 C ATOM 222 O GLN A 17 -7.422 -6.301 6.578 1.00 0.00 O ATOM 223 CB GLN A 17 -8.717 -6.043 9.811 1.00 0.00 C ATOM 224 CG GLN A 17 -8.823 -5.222 11.087 1.00 0.00 C ATOM 225 CD GLN A 17 -7.560 -4.438 11.383 1.00 0.00 C ATOM 226 OE1 GLN A 17 -7.345 -3.355 10.838 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.714 -4.983 12.251 1.00 0.00 N ATOM 0 H GLN A 17 -9.064 -3.591 9.447 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.035 -5.183 8.788 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.710 -6.394 9.531 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.110 -6.927 10.007 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.663 -4.532 11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.039 -5.885 11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.932 -5.883 12.679 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.847 -4.502 12.489 1.00 0.00 H new ATOM 236 N LEU A 18 -9.614 -6.372 7.084 1.00 0.00 N ATOM 237 CA LEU A 18 -9.981 -7.100 5.874 1.00 0.00 C ATOM 238 C LEU A 18 -9.193 -6.590 4.671 1.00 0.00 C ATOM 239 O LEU A 18 -8.528 -7.362 3.981 1.00 0.00 O ATOM 240 CB LEU A 18 -11.481 -6.965 5.610 1.00 0.00 C ATOM 241 CG LEU A 18 -12.106 -8.041 4.720 1.00 0.00 C ATOM 242 CD1 LEU A 18 -13.549 -8.297 5.125 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.024 -7.634 3.256 1.00 0.00 C ATOM 0 H LEU A 18 -10.397 -6.156 7.701 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.738 -8.152 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.000 -6.968 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.663 -5.993 5.152 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.545 -8.966 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.977 -9.065 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.582 -8.633 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.124 -7.377 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -12.473 -8.411 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.560 -6.697 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.980 -7.503 2.973 1.00 0.00 H new ATOM 255 N ILE A 19 -9.272 -5.286 4.429 1.00 0.00 N ATOM 256 CA ILE A 19 -8.564 -4.673 3.312 1.00 0.00 C ATOM 257 C ILE A 19 -7.097 -5.091 3.295 1.00 0.00 C ATOM 258 O ILE A 19 -6.584 -5.554 2.276 1.00 0.00 O ATOM 259 CB ILE A 19 -8.648 -3.137 3.367 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.090 -2.675 3.148 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.724 -2.518 2.329 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.336 -1.242 3.567 1.00 0.00 C ATOM 0 H ILE A 19 -9.819 -4.634 4.991 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.049 -5.022 2.401 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.326 -2.806 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.342 -2.785 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.761 -3.328 3.706 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.795 -1.432 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.697 -2.824 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.017 -2.854 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.379 -0.983 3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.116 -1.131 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.691 -0.579 2.991 1.00 0.00 H new ATOM 274 N LEU A 20 -6.428 -4.926 4.431 1.00 0.00 N ATOM 275 CA LEU A 20 -5.020 -5.288 4.549 1.00 0.00 C ATOM 276 C LEU A 20 -4.781 -6.713 4.060 1.00 0.00 C ATOM 277 O LEU A 20 -3.771 -6.997 3.416 1.00 0.00 O ATOM 278 CB LEU A 20 -4.557 -5.150 6.000 1.00 0.00 C ATOM 279 CG LEU A 20 -4.388 -3.721 6.518 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.370 -3.703 8.039 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.116 -3.099 5.961 1.00 0.00 C ATOM 0 H LEU A 20 -6.838 -4.544 5.283 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.442 -4.607 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.274 -5.664 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.605 -5.669 6.107 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.238 -3.129 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.249 -2.678 8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.308 -4.108 8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.540 -4.310 8.400 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.012 -2.082 6.340 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.255 -3.692 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.168 -3.077 4.872 1.00 0.00 H new ATOM 293 N SER A 21 -5.718 -7.603 4.368 1.00 0.00 N ATOM 294 CA SER A 21 -5.608 -8.999 3.961 1.00 0.00 C ATOM 295 C SER A 21 -5.726 -9.135 2.446 1.00 0.00 C ATOM 296 O SER A 21 -4.941 -9.839 1.810 1.00 0.00 O ATOM 297 CB SER A 21 -6.690 -9.838 4.645 1.00 0.00 C ATOM 298 OG SER A 21 -6.854 -11.087 3.995 1.00 0.00 O ATOM 0 H SER A 21 -6.561 -7.383 4.898 1.00 0.00 H new ATOM 0 HA SER A 21 -4.627 -9.364 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.423 -10.000 5.689 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.635 -9.294 4.638 1.00 0.00 H new ATOM 0 HG SER A 21 -7.550 -11.605 4.452 1.00 0.00 H new ATOM 304 N LYS A 22 -6.714 -8.455 1.873 1.00 0.00 N ATOM 305 CA LYS A 22 -6.936 -8.496 0.433 1.00 0.00 C ATOM 306 C LYS A 22 -5.627 -8.304 -0.326 1.00 0.00 C ATOM 307 O LYS A 22 -5.309 -9.068 -1.239 1.00 0.00 O ATOM 308 CB LYS A 22 -7.940 -7.418 0.020 1.00 0.00 C ATOM 309 CG LYS A 22 -9.388 -7.867 0.112 1.00 0.00 C ATOM 310 CD LYS A 22 -10.345 -6.690 0.023 1.00 0.00 C ATOM 311 CE LYS A 22 -11.791 -7.133 0.186 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.638 -6.057 0.772 1.00 0.00 N ATOM 0 H LYS A 22 -7.374 -7.869 2.385 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.341 -9.476 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.800 -6.541 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.728 -7.110 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.602 -8.573 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.547 -8.396 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.098 -5.960 0.794 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.222 -6.192 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.193 -7.424 -0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.831 -8.015 0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.475 -6.480 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.090 -5.533 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.942 -5.406 0.020 1.00 0.00 H new ATOM 326 N LEU A 23 -4.871 -7.281 0.057 1.00 0.00 N ATOM 327 CA LEU A 23 -3.595 -6.990 -0.586 1.00 0.00 C ATOM 328 C LEU A 23 -2.687 -8.215 -0.576 1.00 0.00 C ATOM 329 O LEU A 23 -2.244 -8.682 -1.626 1.00 0.00 O ATOM 330 CB LEU A 23 -2.902 -5.822 0.118 1.00 0.00 C ATOM 331 CG LEU A 23 -3.788 -4.624 0.462 1.00 0.00 C ATOM 332 CD1 LEU A 23 -2.957 -3.501 1.064 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.530 -4.137 -0.774 1.00 0.00 C ATOM 0 H LEU A 23 -5.120 -6.639 0.810 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.793 -6.717 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.454 -6.194 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.086 -5.475 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.523 -4.941 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.604 -2.657 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.472 -3.855 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.198 -3.185 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.156 -3.284 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.810 -3.837 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.156 -4.940 -1.162 1.00 0.00 H new ATOM 345 N LEU A 24 -2.416 -8.734 0.617 1.00 0.00 N ATOM 346 CA LEU A 24 -1.562 -9.908 0.764 1.00 0.00 C ATOM 347 C LEU A 24 -2.130 -11.094 -0.009 1.00 0.00 C ATOM 348 O LEU A 24 -1.412 -12.043 -0.324 1.00 0.00 O ATOM 349 CB LEU A 24 -1.414 -10.273 2.243 1.00 0.00 C ATOM 350 CG LEU A 24 -0.639 -9.276 3.105 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.931 -9.506 4.580 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.854 -9.381 2.832 1.00 0.00 C ATOM 0 H LEU A 24 -2.775 -8.361 1.496 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.581 -9.667 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.410 -10.393 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.920 -11.242 2.310 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.965 -8.269 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.371 -8.787 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.998 -9.378 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.634 -10.518 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.389 -8.664 3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.196 -10.389 3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.048 -9.165 1.781 1.00 0.00 H new ATOM 364 N ARG A 25 -3.422 -11.032 -0.313 1.00 0.00 N ATOM 365 CA ARG A 25 -4.085 -12.100 -1.051 1.00 0.00 C ATOM 366 C ARG A 25 -4.371 -11.673 -2.488 1.00 0.00 C ATOM 367 O ARG A 25 -5.413 -12.009 -3.049 1.00 0.00 O ATOM 368 CB ARG A 25 -5.390 -12.495 -0.356 1.00 0.00 C ATOM 369 CG ARG A 25 -5.204 -12.922 1.091 1.00 0.00 C ATOM 370 CD ARG A 25 -6.450 -13.603 1.635 1.00 0.00 C ATOM 371 NE ARG A 25 -6.302 -13.975 3.039 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.309 -14.385 3.802 1.00 0.00 C ATOM 373 NH1 ARG A 25 -8.532 -14.475 3.297 1.00 0.00 N ATOM 374 NH2 ARG A 25 -7.095 -14.705 5.071 1.00 0.00 N ATOM 0 H ARG A 25 -4.030 -10.254 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.417 -12.961 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.080 -11.652 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.854 -13.311 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.355 -13.602 1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.968 -12.050 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.305 -12.936 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.663 -14.494 1.045 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.374 -13.917 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.700 -14.229 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.304 -14.790 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.156 -14.636 5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.870 -15.020 5.655 1.00 0.00 H new ATOM 388 N GLU A 26 -3.438 -10.930 -3.075 1.00 0.00 N ATOM 389 CA GLU A 26 -3.591 -10.457 -4.446 1.00 0.00 C ATOM 390 C GLU A 26 -2.339 -10.752 -5.267 1.00 0.00 C ATOM 391 O GLU A 26 -1.992 -10.003 -6.179 1.00 0.00 O ATOM 392 CB GLU A 26 -3.880 -8.954 -4.460 1.00 0.00 C ATOM 393 CG GLU A 26 -5.362 -8.619 -4.414 1.00 0.00 C ATOM 394 CD GLU A 26 -6.127 -9.195 -5.590 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.621 -9.107 -6.728 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.232 -9.733 -5.372 1.00 0.00 O ATOM 0 H GLU A 26 -2.570 -10.643 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.431 -10.987 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.384 -8.489 -3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.445 -8.517 -5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.788 -9.000 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.486 -7.536 -4.400 1.00 0.00 H new ATOM 403 N GLU A 27 -1.666 -11.850 -4.935 1.00 0.00 N ATOM 404 CA GLU A 27 -0.452 -12.244 -5.640 1.00 0.00 C ATOM 405 C GLU A 27 0.458 -11.040 -5.871 1.00 0.00 C ATOM 406 O GLU A 27 1.267 -11.030 -6.798 1.00 0.00 O ATOM 407 CB GLU A 27 -0.803 -12.896 -6.979 1.00 0.00 C ATOM 408 CG GLU A 27 0.207 -13.936 -7.433 1.00 0.00 C ATOM 409 CD GLU A 27 -0.358 -14.885 -8.472 1.00 0.00 C ATOM 410 OE1 GLU A 27 -1.128 -14.422 -9.340 1.00 0.00 O ATOM 411 OE2 GLU A 27 -0.032 -16.089 -8.417 1.00 0.00 O ATOM 0 H GLU A 27 -1.941 -12.482 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 27 0.080 -12.966 -5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.784 -13.365 -6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.881 -12.121 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.082 -13.432 -7.844 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.546 -14.509 -6.570 1.00 0.00 H new ATOM 418 N ASP A 28 0.317 -10.029 -5.021 1.00 0.00 N ATOM 419 CA ASP A 28 1.126 -8.820 -5.131 1.00 0.00 C ATOM 420 C ASP A 28 2.104 -8.713 -3.965 1.00 0.00 C ATOM 421 O ASP A 28 3.270 -8.369 -4.150 1.00 0.00 O ATOM 422 CB ASP A 28 0.229 -7.583 -5.176 1.00 0.00 C ATOM 423 CG ASP A 28 -0.619 -7.527 -6.431 1.00 0.00 C ATOM 424 OD1 ASP A 28 -0.227 -8.151 -7.440 1.00 0.00 O ATOM 425 OD2 ASP A 28 -1.674 -6.860 -6.406 1.00 0.00 O ATOM 0 H ASP A 28 -0.349 -10.022 -4.249 1.00 0.00 H new ATOM 0 HA ASP A 28 1.698 -8.878 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.421 -7.578 -4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.847 -6.687 -5.119 1.00 0.00 H new ATOM 430 N ASN A 29 1.619 -9.010 -2.763 1.00 0.00 N ATOM 431 CA ASN A 29 2.450 -8.945 -1.567 1.00 0.00 C ATOM 432 C ASN A 29 2.667 -10.336 -0.979 1.00 0.00 C ATOM 433 O ASN A 29 2.843 -10.492 0.229 1.00 0.00 O ATOM 434 CB ASN A 29 1.804 -8.033 -0.521 1.00 0.00 C ATOM 435 CG ASN A 29 1.099 -6.845 -1.147 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.682 -5.772 -1.298 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.164 -7.033 -1.513 1.00 0.00 N ATOM 0 H ASN A 29 0.655 -9.298 -2.592 1.00 0.00 H new ATOM 0 HA ASN A 29 3.419 -8.534 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.089 -8.608 0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.569 -7.676 0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.691 -6.270 -1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.607 -7.940 -1.369 1.00 0.00 H new ATOM 444 N LYS A 30 2.654 -11.346 -1.843 1.00 0.00 N ATOM 445 CA LYS A 30 2.852 -12.725 -1.413 1.00 0.00 C ATOM 446 C LYS A 30 4.136 -12.863 -0.601 1.00 0.00 C ATOM 447 O LYS A 30 4.221 -13.687 0.309 1.00 0.00 O ATOM 448 CB LYS A 30 2.899 -13.657 -2.625 1.00 0.00 C ATOM 449 CG LYS A 30 1.527 -14.028 -3.161 1.00 0.00 C ATOM 450 CD LYS A 30 0.916 -15.180 -2.380 1.00 0.00 C ATOM 451 CE LYS A 30 -0.598 -15.209 -2.523 1.00 0.00 C ATOM 452 NZ LYS A 30 -1.267 -14.337 -1.519 1.00 0.00 N ATOM 0 H LYS A 30 2.508 -11.235 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 30 2.011 -13.006 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.473 -13.178 -3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.432 -14.568 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.868 -13.161 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.608 -14.303 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.334 -16.123 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.181 -15.088 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.874 -14.885 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.954 -16.233 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.299 -14.424 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.984 -14.629 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.986 -13.348 -1.676 1.00 0.00 H new ATOM 466 N TYR A 31 5.132 -12.050 -0.936 1.00 0.00 N ATOM 467 CA TYR A 31 6.412 -12.082 -0.239 1.00 0.00 C ATOM 468 C TYR A 31 6.887 -10.671 0.095 1.00 0.00 C ATOM 469 O TYR A 31 6.266 -9.685 -0.302 1.00 0.00 O ATOM 470 CB TYR A 31 7.462 -12.798 -1.091 1.00 0.00 C ATOM 471 CG TYR A 31 6.980 -14.107 -1.674 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.229 -14.135 -2.842 1.00 0.00 C ATOM 473 CD2 TYR A 31 7.277 -15.316 -1.056 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.786 -15.329 -3.378 1.00 0.00 C ATOM 475 CE2 TYR A 31 6.839 -16.514 -1.585 1.00 0.00 C ATOM 476 CZ TYR A 31 6.094 -16.516 -2.746 1.00 0.00 C ATOM 477 OH TYR A 31 5.655 -17.707 -3.277 1.00 0.00 O ATOM 0 H TYR A 31 5.077 -11.361 -1.686 1.00 0.00 H new ATOM 0 HA TYR A 31 6.275 -12.629 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.769 -12.139 -1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.346 -12.985 -0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.987 -13.208 -3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.860 -15.319 -0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.202 -15.333 -4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.079 -17.445 -1.092 1.00 0.00 H new ATOM 0 HH TYR A 31 5.958 -18.448 -2.712 1.00 0.00 H new ATOM 487 N CYS A 32 7.993 -10.584 0.826 1.00 0.00 N ATOM 488 CA CYS A 32 8.553 -9.295 1.215 1.00 0.00 C ATOM 489 C CYS A 32 8.850 -8.439 -0.013 1.00 0.00 C ATOM 490 O CYS A 32 8.901 -8.941 -1.135 1.00 0.00 O ATOM 491 CB CYS A 32 9.831 -9.497 2.031 1.00 0.00 C ATOM 492 SG CYS A 32 10.462 -7.977 2.812 1.00 0.00 S ATOM 0 H CYS A 32 8.519 -11.391 1.161 1.00 0.00 H new ATOM 0 HA CYS A 32 7.816 -8.776 1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.641 -10.239 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.604 -9.906 1.380 1.00 0.00 H new ATOM 0 HG CYS A 32 11.272 -8.290 3.779 1.00 0.00 H new ATOM 497 N ALA A 33 9.044 -7.143 0.210 1.00 0.00 N ATOM 498 CA ALA A 33 9.338 -6.217 -0.877 1.00 0.00 C ATOM 499 C ALA A 33 10.841 -6.096 -1.104 1.00 0.00 C ATOM 500 O ALA A 33 11.287 -5.399 -2.016 1.00 0.00 O ATOM 501 CB ALA A 33 8.735 -4.851 -0.584 1.00 0.00 C ATOM 0 H ALA A 33 9.003 -6.711 1.133 1.00 0.00 H new ATOM 0 HA ALA A 33 8.890 -6.612 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.962 -4.170 -1.404 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.654 -4.945 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.156 -4.458 0.342 1.00 0.00 H new ATOM 507 N ASP A 34 11.617 -6.778 -0.269 1.00 0.00 N ATOM 508 CA ASP A 34 13.071 -6.747 -0.379 1.00 0.00 C ATOM 509 C ASP A 34 13.638 -8.160 -0.483 1.00 0.00 C ATOM 510 O ASP A 34 14.109 -8.575 -1.542 1.00 0.00 O ATOM 511 CB ASP A 34 13.680 -6.027 0.825 1.00 0.00 C ATOM 512 CG ASP A 34 12.993 -4.708 1.118 1.00 0.00 C ATOM 513 OD1 ASP A 34 11.994 -4.713 1.866 1.00 0.00 O ATOM 514 OD2 ASP A 34 13.455 -3.670 0.598 1.00 0.00 O ATOM 0 H ASP A 34 11.264 -7.359 0.491 1.00 0.00 H new ATOM 0 HA ASP A 34 13.331 -6.203 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.613 -6.671 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.739 -5.849 0.641 1.00 0.00 H new ATOM 519 N CYS A 35 13.592 -8.893 0.625 1.00 0.00 N ATOM 520 CA CYS A 35 14.102 -10.259 0.660 1.00 0.00 C ATOM 521 C CYS A 35 13.099 -11.230 0.045 1.00 0.00 C ATOM 522 O CYS A 35 13.379 -12.420 -0.094 1.00 0.00 O ATOM 523 CB CYS A 35 14.411 -10.672 2.100 1.00 0.00 C ATOM 524 SG CYS A 35 12.939 -10.829 3.161 1.00 0.00 S ATOM 0 H CYS A 35 13.207 -8.564 1.510 1.00 0.00 H new ATOM 0 HA CYS A 35 15.020 -10.293 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.940 -11.625 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.086 -9.938 2.540 1.00 0.00 H new ATOM 0 HG CYS A 35 12.156 -9.809 2.971 1.00 0.00 H new ATOM 529 N GLU A 36 11.931 -10.713 -0.323 1.00 0.00 N ATOM 530 CA GLU A 36 10.887 -11.535 -0.923 1.00 0.00 C ATOM 531 C GLU A 36 10.632 -12.786 -0.088 1.00 0.00 C ATOM 532 O GLU A 36 10.444 -13.877 -0.626 1.00 0.00 O ATOM 533 CB GLU A 36 11.275 -11.930 -2.349 1.00 0.00 C ATOM 534 CG GLU A 36 11.014 -10.840 -3.375 1.00 0.00 C ATOM 535 CD GLU A 36 9.608 -10.896 -3.940 1.00 0.00 C ATOM 536 OE1 GLU A 36 9.170 -11.995 -4.338 1.00 0.00 O ATOM 537 OE2 GLU A 36 8.944 -9.838 -3.983 1.00 0.00 O ATOM 0 H GLU A 36 11.684 -9.729 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 36 9.970 -10.947 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.333 -12.191 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.721 -12.825 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.178 -9.866 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.733 -10.933 -4.189 1.00 0.00 H new ATOM 544 N ALA A 37 10.629 -12.620 1.231 1.00 0.00 N ATOM 545 CA ALA A 37 10.397 -13.735 2.141 1.00 0.00 C ATOM 546 C ALA A 37 8.954 -14.221 2.057 1.00 0.00 C ATOM 547 O ALA A 37 8.052 -13.462 1.702 1.00 0.00 O ATOM 548 CB ALA A 37 10.737 -13.331 3.568 1.00 0.00 C ATOM 0 H ALA A 37 10.785 -11.724 1.693 1.00 0.00 H new ATOM 0 HA ALA A 37 11.048 -14.557 1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.559 -14.173 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.786 -13.039 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.110 -12.491 3.868 1.00 0.00 H new ATOM 554 N LYS A 38 8.743 -15.491 2.384 1.00 0.00 N ATOM 555 CA LYS A 38 7.409 -16.080 2.346 1.00 0.00 C ATOM 556 C LYS A 38 6.666 -15.828 3.654 1.00 0.00 C ATOM 557 O LYS A 38 7.056 -16.330 4.707 1.00 0.00 O ATOM 558 CB LYS A 38 7.501 -17.584 2.080 1.00 0.00 C ATOM 559 CG LYS A 38 6.346 -18.128 1.257 1.00 0.00 C ATOM 560 CD LYS A 38 6.780 -19.301 0.394 1.00 0.00 C ATOM 561 CE LYS A 38 6.898 -20.579 1.210 1.00 0.00 C ATOM 562 NZ LYS A 38 7.265 -21.747 0.361 1.00 0.00 N ATOM 0 H LYS A 38 9.479 -16.133 2.679 1.00 0.00 H new ATOM 0 HA LYS A 38 6.853 -15.608 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.437 -17.796 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.537 -18.112 3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.541 -18.442 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.946 -17.337 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.060 -19.447 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.739 -19.076 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.650 -20.445 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.951 -20.778 1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.336 -22.599 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.535 -21.891 -0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.181 -21.568 -0.098 1.00 0.00 H new ATOM 576 N GLY A 39 5.591 -15.049 3.579 1.00 0.00 N ATOM 577 CA GLY A 39 4.810 -14.746 4.763 1.00 0.00 C ATOM 578 C GLY A 39 5.154 -13.393 5.354 1.00 0.00 C ATOM 579 O GLY A 39 5.553 -13.281 6.514 1.00 0.00 O ATOM 0 H GLY A 39 5.247 -14.622 2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.750 -14.770 4.511 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.977 -15.520 5.513 1.00 0.00 H new ATOM 583 N PRO A 40 5.000 -12.333 4.546 1.00 0.00 N ATOM 584 CA PRO A 40 5.293 -10.962 4.974 1.00 0.00 C ATOM 585 C PRO A 40 4.290 -10.448 6.001 1.00 0.00 C ATOM 586 O PRO A 40 3.336 -9.752 5.655 1.00 0.00 O ATOM 587 CB PRO A 40 5.192 -10.156 3.677 1.00 0.00 C ATOM 588 CG PRO A 40 4.278 -10.950 2.808 1.00 0.00 C ATOM 589 CD PRO A 40 4.528 -12.392 3.153 1.00 0.00 C ATOM 0 HA PRO A 40 6.264 -10.887 5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.795 -9.158 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.170 -10.030 3.212 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.237 -10.681 2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.479 -10.760 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.621 -12.990 3.061 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.273 -12.839 2.495 1.00 0.00 H new ATOM 597 N ARG A 41 4.511 -10.796 7.264 1.00 0.00 N ATOM 598 CA ARG A 41 3.625 -10.371 8.341 1.00 0.00 C ATOM 599 C ARG A 41 3.622 -8.850 8.472 1.00 0.00 C ATOM 600 O ARG A 41 2.639 -8.191 8.134 1.00 0.00 O ATOM 601 CB ARG A 41 4.053 -11.007 9.664 1.00 0.00 C ATOM 602 CG ARG A 41 2.893 -11.307 10.599 1.00 0.00 C ATOM 603 CD ARG A 41 2.179 -10.035 11.027 1.00 0.00 C ATOM 604 NE ARG A 41 1.180 -10.290 12.062 1.00 0.00 N ATOM 605 CZ ARG A 41 -0.046 -10.732 11.806 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.422 -10.968 10.557 1.00 0.00 N ATOM 607 NH2 ARG A 41 -0.898 -10.940 12.802 1.00 0.00 N ATOM 0 H ARG A 41 5.297 -11.372 7.567 1.00 0.00 H new ATOM 0 HA ARG A 41 2.615 -10.701 8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.589 -11.933 9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.752 -10.340 10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.187 -11.972 10.102 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.261 -11.833 11.480 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.910 -9.316 11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.696 -9.581 10.161 1.00 0.00 H new ATOM 0 HE ARG A 41 1.438 -10.119 13.034 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.231 -10.810 9.789 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.364 -11.307 10.364 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.611 -10.760 13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.840 -11.279 12.605 1.00 0.00 H new ATOM 621 N TRP A 42 4.726 -8.302 8.966 1.00 0.00 N ATOM 622 CA TRP A 42 4.849 -6.860 9.143 1.00 0.00 C ATOM 623 C TRP A 42 4.599 -6.127 7.830 1.00 0.00 C ATOM 624 O TRP A 42 4.566 -6.739 6.763 1.00 0.00 O ATOM 625 CB TRP A 42 6.237 -6.508 9.681 1.00 0.00 C ATOM 626 CG TRP A 42 6.542 -7.149 11.001 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.900 -8.449 11.218 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.514 -6.519 12.287 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.096 -8.666 12.561 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.866 -7.497 13.238 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.227 -5.225 12.727 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.938 -7.219 14.600 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.298 -4.950 14.080 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.652 -5.943 15.003 1.00 0.00 C ATOM 0 H TRP A 42 5.548 -8.834 9.251 1.00 0.00 H new ATOM 0 HA TRP A 42 4.096 -6.542 9.864 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.989 -6.814 8.954 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.315 -5.426 9.784 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.013 -9.197 10.447 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.368 -9.553 12.985 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.954 -4.453 12.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.210 -7.983 15.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.077 -3.953 14.431 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.700 -5.696 16.053 1.00 0.00 H new ATOM 645 N ALA A 43 4.423 -4.812 7.915 1.00 0.00 N ATOM 646 CA ALA A 43 4.179 -3.996 6.733 1.00 0.00 C ATOM 647 C ALA A 43 4.410 -2.518 7.028 1.00 0.00 C ATOM 648 O ALA A 43 3.856 -1.971 7.982 1.00 0.00 O ATOM 649 CB ALA A 43 2.763 -4.218 6.222 1.00 0.00 C ATOM 0 H ALA A 43 4.445 -4.290 8.791 1.00 0.00 H new ATOM 0 HA ALA A 43 4.885 -4.300 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.594 -3.602 5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.630 -5.268 5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.049 -3.943 6.998 1.00 0.00 H new ATOM 655 N SER A 44 5.233 -1.876 6.204 1.00 0.00 N ATOM 656 CA SER A 44 5.542 -0.462 6.380 1.00 0.00 C ATOM 657 C SER A 44 4.450 0.412 5.770 1.00 0.00 C ATOM 658 O SER A 44 4.276 0.445 4.552 1.00 0.00 O ATOM 659 CB SER A 44 6.893 -0.130 5.744 1.00 0.00 C ATOM 660 OG SER A 44 7.957 -0.391 6.642 1.00 0.00 O ATOM 0 H SER A 44 5.698 -2.313 5.408 1.00 0.00 H new ATOM 0 HA SER A 44 5.593 -0.256 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.026 -0.719 4.837 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.911 0.919 5.448 1.00 0.00 H new ATOM 0 HG SER A 44 7.994 0.316 7.320 1.00 0.00 H new ATOM 666 N TRP A 45 3.720 1.118 6.625 1.00 0.00 N ATOM 667 CA TRP A 45 2.645 1.993 6.171 1.00 0.00 C ATOM 668 C TRP A 45 3.206 3.236 5.490 1.00 0.00 C ATOM 669 O TRP A 45 2.728 3.645 4.433 1.00 0.00 O ATOM 670 CB TRP A 45 1.758 2.399 7.349 1.00 0.00 C ATOM 671 CG TRP A 45 2.459 3.267 8.349 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.236 2.853 9.393 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.444 4.698 8.400 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.705 3.940 10.090 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.235 5.083 9.501 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.843 5.691 7.623 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.437 6.418 9.841 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.044 7.016 7.962 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.835 7.370 9.063 1.00 0.00 C ATOM 0 H TRP A 45 3.852 1.102 7.636 1.00 0.00 H new ATOM 0 HA TRP A 45 2.045 1.443 5.446 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.883 2.927 6.970 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.396 1.500 7.849 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.450 1.823 9.635 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.306 3.902 10.913 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.232 5.428 6.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.047 6.693 10.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.583 7.792 7.368 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.972 8.414 9.302 1.00 0.00 H new ATOM 690 N ASN A 46 4.224 3.833 6.102 1.00 0.00 N ATOM 691 CA ASN A 46 4.850 5.030 5.553 1.00 0.00 C ATOM 692 C ASN A 46 5.165 4.849 4.071 1.00 0.00 C ATOM 693 O ASN A 46 4.904 5.736 3.258 1.00 0.00 O ATOM 694 CB ASN A 46 6.131 5.359 6.322 1.00 0.00 C ATOM 695 CG ASN A 46 6.760 6.662 5.867 1.00 0.00 C ATOM 696 OD1 ASN A 46 6.373 7.741 6.315 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.737 6.566 4.972 1.00 0.00 N ATOM 0 H ASN A 46 4.633 3.507 6.978 1.00 0.00 H new ATOM 0 HA ASN A 46 4.148 5.857 5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.907 5.419 7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.848 4.548 6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.199 7.408 4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.025 5.650 4.628 1.00 0.00 H new ATOM 704 N ILE A 47 5.728 3.695 3.729 1.00 0.00 N ATOM 705 CA ILE A 47 6.077 3.397 2.345 1.00 0.00 C ATOM 706 C ILE A 47 4.887 2.812 1.592 1.00 0.00 C ATOM 707 O ILE A 47 4.643 3.153 0.435 1.00 0.00 O ATOM 708 CB ILE A 47 7.257 2.412 2.262 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.505 3.021 2.905 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.531 2.034 0.814 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.593 2.010 3.189 1.00 0.00 C ATOM 0 H ILE A 47 5.952 2.952 4.390 1.00 0.00 H new ATOM 0 HA ILE A 47 6.368 4.340 1.883 1.00 0.00 H new ATOM 0 HB ILE A 47 6.994 1.507 2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.902 3.795 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.222 3.509 3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.368 1.337 0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.645 1.564 0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.776 2.930 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.447 2.512 3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.214 1.249 3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.904 1.539 2.257 1.00 0.00 H new ATOM 723 N GLY A 48 4.147 1.930 2.257 1.00 0.00 N ATOM 724 CA GLY A 48 2.990 1.313 1.636 1.00 0.00 C ATOM 725 C GLY A 48 3.303 -0.051 1.055 1.00 0.00 C ATOM 726 O GLY A 48 2.818 -0.402 -0.021 1.00 0.00 O ATOM 0 H GLY A 48 4.329 1.632 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.194 1.216 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.615 1.964 0.846 1.00 0.00 H new ATOM 730 N VAL A 49 4.117 -0.824 1.767 1.00 0.00 N ATOM 731 CA VAL A 49 4.495 -2.158 1.316 1.00 0.00 C ATOM 732 C VAL A 49 4.552 -3.137 2.484 1.00 0.00 C ATOM 733 O VAL A 49 4.600 -2.732 3.645 1.00 0.00 O ATOM 734 CB VAL A 49 5.861 -2.144 0.605 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.787 -1.326 -0.676 1.00 0.00 C ATOM 736 CG2 VAL A 49 6.938 -1.602 1.532 1.00 0.00 C ATOM 0 H VAL A 49 4.528 -0.549 2.659 1.00 0.00 H new ATOM 0 HA VAL A 49 3.730 -2.482 0.610 1.00 0.00 H new ATOM 0 HB VAL A 49 6.124 -3.168 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.761 -1.327 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.045 -1.763 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.502 -0.301 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.897 -1.599 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.684 -0.585 1.830 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.007 -2.233 2.418 1.00 0.00 H new ATOM 746 N PHE A 50 4.547 -4.427 2.167 1.00 0.00 N ATOM 747 CA PHE A 50 4.598 -5.466 3.189 1.00 0.00 C ATOM 748 C PHE A 50 5.997 -6.069 3.283 1.00 0.00 C ATOM 749 O PHE A 50 6.480 -6.690 2.336 1.00 0.00 O ATOM 750 CB PHE A 50 3.577 -6.563 2.884 1.00 0.00 C ATOM 751 CG PHE A 50 2.153 -6.088 2.937 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.547 -5.544 1.815 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.419 -6.186 4.108 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.237 -5.106 1.862 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.109 -5.749 4.161 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.483 -5.210 3.036 1.00 0.00 C ATOM 0 H PHE A 50 4.508 -4.778 1.210 1.00 0.00 H new ATOM 0 HA PHE A 50 4.353 -5.009 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.779 -6.971 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.707 -7.377 3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.105 -5.462 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.876 -6.609 4.990 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.223 -4.683 0.981 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.451 -5.829 5.081 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.507 -4.870 3.074 1.00 0.00 H new ATOM 766 N ILE A 51 6.641 -5.880 4.429 1.00 0.00 N ATOM 767 CA ILE A 51 7.983 -6.406 4.647 1.00 0.00 C ATOM 768 C ILE A 51 8.009 -7.376 5.823 1.00 0.00 C ATOM 769 O ILE A 51 7.123 -7.358 6.677 1.00 0.00 O ATOM 770 CB ILE A 51 8.995 -5.274 4.906 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.471 -4.331 5.991 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.275 -4.509 3.622 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.485 -3.301 6.437 1.00 0.00 C ATOM 0 H ILE A 51 6.255 -5.366 5.221 1.00 0.00 H new ATOM 0 HA ILE A 51 8.267 -6.935 3.737 1.00 0.00 H new ATOM 0 HB ILE A 51 9.929 -5.715 5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.584 -3.818 5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.160 -4.920 6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.992 -3.713 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.686 -5.189 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.348 -4.077 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.045 -2.667 7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.363 -3.806 6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.778 -2.687 5.586 1.00 0.00 H new ATOM 785 N CYS A 52 9.033 -8.222 5.862 1.00 0.00 N ATOM 786 CA CYS A 52 9.178 -9.200 6.933 1.00 0.00 C ATOM 787 C CYS A 52 9.643 -8.529 8.223 1.00 0.00 C ATOM 788 O CYS A 52 9.822 -7.312 8.271 1.00 0.00 O ATOM 789 CB CYS A 52 10.170 -10.291 6.526 1.00 0.00 C ATOM 790 SG CYS A 52 11.849 -9.677 6.178 1.00 0.00 S ATOM 0 H CYS A 52 9.775 -8.250 5.163 1.00 0.00 H new ATOM 0 HA CYS A 52 8.203 -9.654 7.111 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.224 -11.033 7.322 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.790 -10.800 5.640 1.00 0.00 H new ATOM 0 HG CYS A 52 12.304 -10.244 5.100 1.00 0.00 H new ATOM 795 N ILE A 53 9.837 -9.332 9.264 1.00 0.00 N ATOM 796 CA ILE A 53 10.283 -8.816 10.552 1.00 0.00 C ATOM 797 C ILE A 53 11.748 -8.396 10.499 1.00 0.00 C ATOM 798 O ILE A 53 12.125 -7.356 11.037 1.00 0.00 O ATOM 799 CB ILE A 53 10.100 -9.860 11.670 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.556 -9.286 13.013 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.872 -11.129 11.341 1.00 0.00 C ATOM 802 CD1 ILE A 53 10.121 -10.114 14.202 1.00 0.00 C ATOM 0 H ILE A 53 9.692 -10.341 9.241 1.00 0.00 H new ATOM 0 HA ILE A 53 9.666 -7.945 10.774 1.00 0.00 H new ATOM 0 HB ILE A 53 9.042 -10.110 11.744 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.643 -9.206 13.014 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.161 -8.276 13.120 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.733 -11.857 12.140 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.505 -11.545 10.403 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.932 -10.895 11.244 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.479 -9.648 15.120 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.033 -10.173 14.225 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.537 -11.118 14.118 1.00 0.00 H new ATOM 814 N ARG A 54 12.568 -9.212 9.845 1.00 0.00 N ATOM 815 CA ARG A 54 13.992 -8.925 9.721 1.00 0.00 C ATOM 816 C ARG A 54 14.217 -7.551 9.096 1.00 0.00 C ATOM 817 O ARG A 54 14.744 -6.643 9.740 1.00 0.00 O ATOM 818 CB ARG A 54 14.679 -10.000 8.877 1.00 0.00 C ATOM 819 CG ARG A 54 16.193 -9.864 8.832 1.00 0.00 C ATOM 820 CD ARG A 54 16.641 -9.012 7.656 1.00 0.00 C ATOM 821 NE ARG A 54 16.357 -9.653 6.375 1.00 0.00 N ATOM 822 CZ ARG A 54 17.143 -10.571 5.823 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.255 -10.953 6.437 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.818 -11.109 4.655 1.00 0.00 N ATOM 0 H ARG A 54 12.271 -10.077 9.393 1.00 0.00 H new ATOM 0 HA ARG A 54 14.426 -8.926 10.721 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.423 -10.982 9.275 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.288 -9.957 7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.547 -9.418 9.761 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.646 -10.853 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.139 -8.045 7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.711 -8.819 7.735 1.00 0.00 H new ATOM 0 HE ARG A 54 15.509 -9.381 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.509 -10.542 7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.856 -11.658 6.011 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.964 -10.818 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.422 -11.814 4.232 1.00 0.00 H new ATOM 838 N CYS A 55 13.815 -7.406 7.838 1.00 0.00 N ATOM 839 CA CYS A 55 13.973 -6.145 7.124 1.00 0.00 C ATOM 840 C CYS A 55 13.449 -4.979 7.958 1.00 0.00 C ATOM 841 O CYS A 55 14.135 -3.973 8.138 1.00 0.00 O ATOM 842 CB CYS A 55 13.238 -6.198 5.783 1.00 0.00 C ATOM 843 SG CYS A 55 13.996 -7.319 4.564 1.00 0.00 S ATOM 0 H CYS A 55 13.377 -8.147 7.291 1.00 0.00 H new ATOM 0 HA CYS A 55 15.036 -5.990 6.942 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.208 -6.511 5.957 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.199 -5.193 5.362 1.00 0.00 H new ATOM 0 HG CYS A 55 13.510 -8.515 4.713 1.00 0.00 H new ATOM 848 N ALA A 56 12.229 -5.123 8.466 1.00 0.00 N ATOM 849 CA ALA A 56 11.614 -4.084 9.282 1.00 0.00 C ATOM 850 C ALA A 56 12.631 -3.456 10.230 1.00 0.00 C ATOM 851 O ALA A 56 12.762 -2.235 10.295 1.00 0.00 O ATOM 852 CB ALA A 56 10.441 -4.654 10.066 1.00 0.00 C ATOM 0 H ALA A 56 11.647 -5.949 8.327 1.00 0.00 H new ATOM 0 HA ALA A 56 11.247 -3.303 8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.991 -3.867 10.671 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.698 -5.049 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.793 -5.455 10.716 1.00 0.00 H new ATOM 858 N GLY A 57 13.348 -4.301 10.964 1.00 0.00 N ATOM 859 CA GLY A 57 14.343 -3.810 11.900 1.00 0.00 C ATOM 860 C GLY A 57 15.201 -2.709 11.309 1.00 0.00 C ATOM 861 O GLY A 57 15.383 -1.658 11.924 1.00 0.00 O ATOM 0 H GLY A 57 13.258 -5.316 10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.843 -3.437 12.794 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.982 -4.636 12.213 1.00 0.00 H new ATOM 865 N ILE A 58 15.729 -2.949 10.114 1.00 0.00 N ATOM 866 CA ILE A 58 16.573 -1.969 9.440 1.00 0.00 C ATOM 867 C ILE A 58 15.787 -0.706 9.105 1.00 0.00 C ATOM 868 O ILE A 58 16.271 0.409 9.302 1.00 0.00 O ATOM 869 CB ILE A 58 17.178 -2.543 8.146 1.00 0.00 C ATOM 870 CG1 ILE A 58 18.112 -3.711 8.467 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.922 -1.457 7.383 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.421 -5.056 8.463 1.00 0.00 C ATOM 0 H ILE A 58 15.588 -3.814 9.592 1.00 0.00 H new ATOM 0 HA ILE A 58 17.380 -1.720 10.129 1.00 0.00 H new ATOM 0 HB ILE A 58 16.368 -2.913 7.517 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.924 -3.727 7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.563 -3.546 9.445 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.344 -1.878 6.470 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.231 -0.654 7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.724 -1.060 8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 58 18.144 -5.837 8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.627 -5.059 9.210 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.993 -5.242 7.478 1.00 0.00 H new ATOM 884 N HIS A 59 14.572 -0.888 8.599 1.00 0.00 N ATOM 885 CA HIS A 59 13.717 0.237 8.238 1.00 0.00 C ATOM 886 C HIS A 59 13.644 1.250 9.376 1.00 0.00 C ATOM 887 O HIS A 59 13.789 2.453 9.160 1.00 0.00 O ATOM 888 CB HIS A 59 12.312 -0.254 7.886 1.00 0.00 C ATOM 889 CG HIS A 59 12.210 -0.838 6.510 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.540 -0.216 5.477 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.697 -1.992 6.000 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.619 -0.964 4.391 1.00 0.00 C ATOM 893 NE2 HIS A 59 12.317 -2.048 4.682 1.00 0.00 N ATOM 0 H HIS A 59 14.157 -1.804 8.430 1.00 0.00 H new ATOM 0 HA HIS A 59 14.151 0.726 7.366 1.00 0.00 H new ATOM 0 HB2 HIS A 59 12.005 -1.005 8.614 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.613 0.578 7.972 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.277 -2.732 6.531 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.187 -0.730 3.429 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.537 -2.803 4.033 1.00 0.00 H new ATOM 901 N ARG A 60 13.417 0.755 10.589 1.00 0.00 N ATOM 902 CA ARG A 60 13.322 1.618 11.761 1.00 0.00 C ATOM 903 C ARG A 60 14.582 2.465 11.915 1.00 0.00 C ATOM 904 O ARG A 60 14.506 3.668 12.161 1.00 0.00 O ATOM 905 CB ARG A 60 13.102 0.779 13.021 1.00 0.00 C ATOM 906 CG ARG A 60 12.133 -0.375 12.823 1.00 0.00 C ATOM 907 CD ARG A 60 11.790 -1.047 14.143 1.00 0.00 C ATOM 908 NE ARG A 60 11.076 -0.149 15.046 1.00 0.00 N ATOM 909 CZ ARG A 60 10.539 -0.538 16.197 1.00 0.00 C ATOM 910 NH1 ARG A 60 10.636 -1.802 16.584 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.905 0.339 16.964 1.00 0.00 N ATOM 0 H ARG A 60 13.296 -0.238 10.786 1.00 0.00 H new ATOM 0 HA ARG A 60 12.471 2.285 11.623 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.061 0.384 13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.728 1.424 13.816 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.221 -0.009 12.352 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.571 -1.107 12.144 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.180 -1.930 13.952 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.706 -1.391 14.623 1.00 0.00 H new ATOM 0 HE ARG A 60 10.984 0.831 14.778 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.124 -2.479 15.997 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.223 -2.098 17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.830 1.313 16.670 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.493 0.040 17.848 1.00 0.00 H new ATOM 925 N ASN A 61 15.739 1.829 11.769 1.00 0.00 N ATOM 926 CA ASN A 61 17.015 2.524 11.893 1.00 0.00 C ATOM 927 C ASN A 61 17.069 3.732 10.962 1.00 0.00 C ATOM 928 O ASN A 61 17.387 4.843 11.387 1.00 0.00 O ATOM 929 CB ASN A 61 18.171 1.572 11.579 1.00 0.00 C ATOM 930 CG ASN A 61 18.366 0.524 12.658 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.586 0.441 13.607 1.00 0.00 O ATOM 932 ND2 ASN A 61 19.411 -0.284 12.516 1.00 0.00 N ATOM 0 H ASN A 61 15.820 0.833 11.565 1.00 0.00 H new ATOM 0 HA ASN A 61 17.111 2.875 12.921 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.982 1.078 10.626 1.00 0.00 H new ATOM 0 HB3 ASN A 61 19.090 2.146 11.464 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.593 -1.009 13.210 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.031 -0.179 11.713 1.00 0.00 H new ATOM 939 N LEU A 62 16.757 3.506 9.691 1.00 0.00 N ATOM 940 CA LEU A 62 16.769 4.576 8.699 1.00 0.00 C ATOM 941 C LEU A 62 16.356 5.904 9.325 1.00 0.00 C ATOM 942 O LEU A 62 17.058 6.906 9.200 1.00 0.00 O ATOM 943 CB LEU A 62 15.833 4.232 7.539 1.00 0.00 C ATOM 944 CG LEU A 62 16.078 2.887 6.854 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.227 2.764 5.600 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.553 2.720 6.519 1.00 0.00 C ATOM 0 H LEU A 62 16.493 2.592 9.323 1.00 0.00 H new ATOM 0 HA LEU A 62 17.786 4.676 8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.808 4.247 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.913 5.019 6.789 1.00 0.00 H new ATOM 0 HG LEU A 62 15.790 2.092 7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.415 1.801 5.126 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.173 2.838 5.867 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.483 3.565 4.907 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.709 1.757 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.867 3.520 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 62 18.141 2.762 7.436 1.00 0.00 H new ATOM 958 N GLY A 63 15.211 5.902 10.001 1.00 0.00 N ATOM 959 CA GLY A 63 14.725 7.112 10.639 1.00 0.00 C ATOM 960 C GLY A 63 13.237 7.317 10.435 1.00 0.00 C ATOM 961 O GLY A 63 12.721 7.118 9.335 1.00 0.00 O ATOM 0 H GLY A 63 14.612 5.085 10.118 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.940 7.067 11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.265 7.971 10.241 1.00 0.00 H new ATOM 965 N VAL A 64 12.545 7.715 11.497 1.00 0.00 N ATOM 966 CA VAL A 64 11.107 7.947 11.430 1.00 0.00 C ATOM 967 C VAL A 64 10.755 8.891 10.285 1.00 0.00 C ATOM 968 O VAL A 64 9.653 8.839 9.740 1.00 0.00 O ATOM 969 CB VAL A 64 10.571 8.535 12.749 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.665 7.510 13.868 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.327 9.804 13.112 1.00 0.00 C ATOM 0 H VAL A 64 12.957 7.884 12.415 1.00 0.00 H new ATOM 0 HA VAL A 64 10.638 6.979 11.256 1.00 0.00 H new ATOM 0 HB VAL A 64 9.521 8.792 12.612 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.282 7.944 14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.075 6.632 13.607 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.706 7.219 14.008 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.935 10.206 14.046 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.386 9.575 13.231 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.202 10.541 12.319 1.00 0.00 H new ATOM 981 N HIS A 65 11.701 9.754 9.925 1.00 0.00 N ATOM 982 CA HIS A 65 11.491 10.709 8.844 1.00 0.00 C ATOM 983 C HIS A 65 11.638 10.033 7.484 1.00 0.00 C ATOM 984 O HIS A 65 11.097 10.504 6.484 1.00 0.00 O ATOM 985 CB HIS A 65 12.482 11.868 8.960 1.00 0.00 C ATOM 986 CG HIS A 65 13.916 11.435 8.923 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.535 10.792 9.974 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.853 11.556 7.954 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.791 10.537 9.654 1.00 0.00 C ATOM 990 NE2 HIS A 65 16.009 10.990 8.432 1.00 0.00 N ATOM 0 H HIS A 65 12.619 9.811 10.366 1.00 0.00 H new ATOM 0 HA HIS A 65 10.476 11.098 8.928 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.302 12.572 8.147 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.296 12.403 9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.717 12.013 6.985 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.516 10.043 10.284 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.893 10.929 7.926 1.00 0.00 H new ATOM 998 N ILE A 66 12.374 8.926 7.456 1.00 0.00 N ATOM 999 CA ILE A 66 12.591 8.186 6.220 1.00 0.00 C ATOM 1000 C ILE A 66 11.531 7.106 6.032 1.00 0.00 C ATOM 1001 O ILE A 66 10.809 7.098 5.035 1.00 0.00 O ATOM 1002 CB ILE A 66 13.985 7.530 6.194 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.070 8.596 6.026 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.066 6.502 5.075 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.426 8.164 6.541 1.00 0.00 C ATOM 0 H ILE A 66 12.829 8.523 8.275 1.00 0.00 H new ATOM 0 HA ILE A 66 12.521 8.906 5.405 1.00 0.00 H new ATOM 0 HB ILE A 66 14.148 7.018 7.143 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.156 8.852 4.970 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.763 9.501 6.550 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.057 6.047 5.070 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.313 5.730 5.235 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.886 6.991 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.146 8.968 6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.355 7.936 7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.755 7.276 6.000 1.00 0.00 H new ATOM 1017 N SER A 67 11.442 6.197 6.998 1.00 0.00 N ATOM 1018 CA SER A 67 10.470 5.111 6.939 1.00 0.00 C ATOM 1019 C SER A 67 10.184 4.562 8.333 1.00 0.00 C ATOM 1020 O SER A 67 11.093 4.403 9.148 1.00 0.00 O ATOM 1021 CB SER A 67 10.982 3.990 6.031 1.00 0.00 C ATOM 1022 OG SER A 67 11.456 4.507 4.800 1.00 0.00 O ATOM 0 H SER A 67 12.031 6.191 7.831 1.00 0.00 H new ATOM 0 HA SER A 67 9.542 5.508 6.527 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.783 3.448 6.534 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.181 3.275 5.844 1.00 0.00 H new ATOM 0 HG SER A 67 11.000 5.352 4.603 1.00 0.00 H new ATOM 1028 N ARG A 68 8.914 4.274 8.599 1.00 0.00 N ATOM 1029 CA ARG A 68 8.506 3.744 9.894 1.00 0.00 C ATOM 1030 C ARG A 68 8.165 2.260 9.791 1.00 0.00 C ATOM 1031 O ARG A 68 8.102 1.701 8.696 1.00 0.00 O ATOM 1032 CB ARG A 68 7.302 4.519 10.430 1.00 0.00 C ATOM 1033 CG ARG A 68 7.591 5.987 10.695 1.00 0.00 C ATOM 1034 CD ARG A 68 6.775 6.514 11.866 1.00 0.00 C ATOM 1035 NE ARG A 68 7.195 5.925 13.134 1.00 0.00 N ATOM 1036 CZ ARG A 68 6.982 6.495 14.315 1.00 0.00 C ATOM 1037 NH1 ARG A 68 6.357 7.662 14.389 1.00 0.00 N ATOM 1038 NH2 ARG A 68 7.395 5.898 15.426 1.00 0.00 N ATOM 0 H ARG A 68 8.150 4.399 7.935 1.00 0.00 H new ATOM 0 HA ARG A 68 9.341 3.860 10.585 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.483 4.442 9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.962 4.052 11.354 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.653 6.118 10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.366 6.570 9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.875 7.598 11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.720 6.299 11.698 1.00 0.00 H new ATOM 0 HE ARG A 68 7.678 5.027 13.112 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.038 8.125 13.538 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.195 8.097 15.297 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.877 5.000 15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.231 6.337 16.332 1.00 0.00 H new ATOM 1052 N VAL A 69 7.946 1.627 10.940 1.00 0.00 N ATOM 1053 CA VAL A 69 7.611 0.209 10.979 1.00 0.00 C ATOM 1054 C VAL A 69 6.521 -0.070 12.008 1.00 0.00 C ATOM 1055 O VAL A 69 6.497 0.532 13.082 1.00 0.00 O ATOM 1056 CB VAL A 69 8.846 -0.651 11.309 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.453 -2.112 11.465 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.910 -0.488 10.235 1.00 0.00 C ATOM 0 H VAL A 69 7.995 2.074 11.855 1.00 0.00 H new ATOM 0 HA VAL A 69 7.247 -0.058 9.987 1.00 0.00 H new ATOM 0 HB VAL A 69 9.263 -0.309 12.256 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.338 -2.704 11.698 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.728 -2.210 12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.011 -2.471 10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.775 -1.102 10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.507 -0.802 9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.212 0.558 10.178 1.00 0.00 H new ATOM 1068 N LYS A 70 5.620 -0.987 11.674 1.00 0.00 N ATOM 1069 CA LYS A 70 4.527 -1.349 12.569 1.00 0.00 C ATOM 1070 C LYS A 70 3.803 -2.594 12.068 1.00 0.00 C ATOM 1071 O LYS A 70 3.735 -2.842 10.864 1.00 0.00 O ATOM 1072 CB LYS A 70 3.539 -0.187 12.696 1.00 0.00 C ATOM 1073 CG LYS A 70 2.661 0.001 11.471 1.00 0.00 C ATOM 1074 CD LYS A 70 1.835 1.273 11.567 1.00 0.00 C ATOM 1075 CE LYS A 70 0.901 1.242 12.767 1.00 0.00 C ATOM 1076 NZ LYS A 70 -0.158 0.207 12.619 1.00 0.00 N ATOM 0 H LYS A 70 5.625 -1.494 10.789 1.00 0.00 H new ATOM 0 HA LYS A 70 4.950 -1.567 13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.904 -0.355 13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.094 0.733 12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.284 0.037 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.998 -0.857 11.362 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.499 2.134 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.253 1.400 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.478 1.045 13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.437 2.221 12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.943 0.418 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.508 0.206 11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.236 -0.728 12.846 1.00 0.00 H new ATOM 1090 N SER A 71 3.262 -3.374 12.998 1.00 0.00 N ATOM 1091 CA SER A 71 2.544 -4.594 12.651 1.00 0.00 C ATOM 1092 C SER A 71 1.358 -4.287 11.741 1.00 0.00 C ATOM 1093 O SER A 71 1.022 -3.125 11.511 1.00 0.00 O ATOM 1094 CB SER A 71 2.059 -5.304 13.916 1.00 0.00 C ATOM 1095 OG SER A 71 1.828 -4.378 14.964 1.00 0.00 O ATOM 0 H SER A 71 3.308 -3.182 13.999 1.00 0.00 H new ATOM 0 HA SER A 71 3.231 -5.249 12.116 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.141 -5.851 13.701 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.800 -6.038 14.232 1.00 0.00 H new ATOM 0 HG SER A 71 2.403 -4.597 15.727 1.00 0.00 H new ATOM 1101 N VAL A 72 0.728 -5.338 11.225 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.420 -5.182 10.340 1.00 0.00 C ATOM 1103 C VAL A 72 -1.726 -5.427 11.088 1.00 0.00 C ATOM 1104 O VAL A 72 -2.761 -4.850 10.756 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.339 -6.144 9.140 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.432 -5.830 8.130 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.035 -6.073 8.492 1.00 0.00 C ATOM 0 H VAL A 72 0.993 -6.306 11.405 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.401 -4.156 9.974 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.492 -7.161 9.500 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.359 -6.520 7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.407 -5.938 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.314 -4.807 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.074 -6.759 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.221 -5.057 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.796 -6.352 9.221 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.670 -6.288 12.099 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.850 -6.610 12.894 1.00 0.00 C ATOM 1119 C ASN A 73 -2.638 -6.234 14.358 1.00 0.00 C ATOM 1120 O ASN A 73 -3.451 -5.524 14.952 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.175 -8.101 12.781 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.002 -8.602 13.949 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -4.835 -7.876 14.491 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -3.775 -9.850 14.341 1.00 0.00 N ATOM 0 H ASN A 73 -0.821 -6.775 12.387 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.688 -6.032 12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.715 -8.283 11.852 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.247 -8.669 12.726 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.301 -10.243 15.121 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.074 -10.416 13.862 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.541 -6.714 14.933 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.221 -6.428 16.328 1.00 0.00 C ATOM 1133 C LEU A 74 -1.405 -4.946 16.636 1.00 0.00 C ATOM 1134 O LEU A 74 -1.704 -4.569 17.769 1.00 0.00 O ATOM 1135 CB LEU A 74 0.215 -6.851 16.639 1.00 0.00 C ATOM 1136 CG LEU A 74 0.556 -8.318 16.371 1.00 0.00 C ATOM 1137 CD1 LEU A 74 1.186 -8.477 14.996 1.00 0.00 C ATOM 1138 CD2 LEU A 74 1.484 -8.856 17.451 1.00 0.00 C ATOM 0 H LEU A 74 -0.858 -7.303 14.456 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.905 -6.998 16.956 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.891 -6.229 16.052 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.416 -6.638 17.689 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.368 -8.896 16.393 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.422 -9.527 14.823 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.488 -8.132 14.234 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.101 -7.886 14.944 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.716 -9.901 17.244 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.406 -8.275 17.461 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.995 -8.778 18.422 1.00 0.00 H new ATOM 1150 N ASP A 75 -1.226 -4.109 15.619 1.00 0.00 N ATOM 1151 CA ASP A 75 -1.375 -2.667 15.780 1.00 0.00 C ATOM 1152 C ASP A 75 -2.652 -2.175 15.107 1.00 0.00 C ATOM 1153 O ASP A 75 -3.046 -2.682 14.057 1.00 0.00 O ATOM 1154 CB ASP A 75 -0.163 -1.940 15.197 1.00 0.00 C ATOM 1155 CG ASP A 75 1.086 -2.134 16.034 1.00 0.00 C ATOM 1156 OD1 ASP A 75 0.973 -2.684 17.149 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.177 -1.734 15.575 1.00 0.00 O ATOM 0 H ASP A 75 -0.978 -4.404 14.675 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.441 -2.449 16.846 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.021 -2.301 14.185 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.384 -0.875 15.120 1.00 0.00 H new ATOM 1162 N GLN A 76 -3.293 -1.184 15.718 1.00 0.00 N ATOM 1163 CA GLN A 76 -4.526 -0.624 15.178 1.00 0.00 C ATOM 1164 C GLN A 76 -4.227 0.418 14.105 1.00 0.00 C ATOM 1165 O GLN A 76 -3.550 1.412 14.364 1.00 0.00 O ATOM 1166 CB GLN A 76 -5.360 0.003 16.297 1.00 0.00 C ATOM 1167 CG GLN A 76 -6.598 0.731 15.798 1.00 0.00 C ATOM 1168 CD GLN A 76 -7.221 1.616 16.859 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -7.335 1.225 18.022 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -7.629 2.816 16.465 1.00 0.00 N ATOM 0 H GLN A 76 -2.979 -0.752 16.587 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.094 -1.435 14.722 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.664 -0.778 16.994 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.737 0.703 16.855 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.334 1.339 14.933 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.334 0.000 15.462 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.515 3.099 15.492 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.056 3.455 17.135 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.736 0.182 12.901 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.523 1.101 11.789 1.00 0.00 C ATOM 1181 C TRP A 77 -5.713 2.039 11.621 1.00 0.00 C ATOM 1182 O TRP A 77 -6.759 1.850 12.244 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.286 0.321 10.494 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.952 -0.360 10.447 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.362 -1.078 11.448 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -2.041 -0.385 9.343 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.140 -1.548 11.033 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.920 -1.138 9.745 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -2.063 0.153 8.054 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.166 -1.362 8.903 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.985 -0.071 7.219 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.117 -0.824 7.646 1.00 0.00 C ATOM 0 H TRP A 77 -5.298 -0.637 12.670 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.640 1.701 12.011 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -5.072 -0.426 10.379 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.368 1.003 9.647 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.793 -1.251 12.423 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.500 -2.111 11.593 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.908 0.734 7.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.017 -1.940 9.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.992 0.341 6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.944 -0.983 6.970 1.00 0.00 H new ATOM 1203 N THR A 78 -5.550 3.051 10.775 1.00 0.00 N ATOM 1204 CA THR A 78 -6.611 4.019 10.526 1.00 0.00 C ATOM 1205 C THR A 78 -6.899 4.147 9.035 1.00 0.00 C ATOM 1206 O THR A 78 -5.984 4.125 8.212 1.00 0.00 O ATOM 1207 CB THR A 78 -6.249 5.406 11.089 1.00 0.00 C ATOM 1208 OG1 THR A 78 -5.092 5.920 10.420 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.985 5.331 12.585 1.00 0.00 C ATOM 0 H THR A 78 -4.692 3.222 10.250 1.00 0.00 H new ATOM 0 HA THR A 78 -7.502 3.650 11.035 1.00 0.00 H new ATOM 0 HB THR A 78 -7.093 6.074 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.870 6.803 10.783 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.731 6.323 12.960 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.878 4.968 13.094 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.156 4.649 12.774 1.00 0.00 H new ATOM 1217 N ALA A 79 -8.176 4.283 8.693 1.00 0.00 N ATOM 1218 CA ALA A 79 -8.584 4.418 7.301 1.00 0.00 C ATOM 1219 C ALA A 79 -7.592 5.271 6.518 1.00 0.00 C ATOM 1220 O ALA A 79 -7.194 4.915 5.409 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.980 5.018 7.216 1.00 0.00 C ATOM 0 H ALA A 79 -8.946 4.303 9.362 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.599 3.424 6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.272 5.113 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.687 4.369 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.982 6.002 7.684 1.00 0.00 H new ATOM 1227 N GLU A 80 -7.196 6.397 7.103 1.00 0.00 N ATOM 1228 CA GLU A 80 -6.251 7.301 6.457 1.00 0.00 C ATOM 1229 C GLU A 80 -4.980 6.560 6.052 1.00 0.00 C ATOM 1230 O GLU A 80 -4.480 6.728 4.940 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.902 8.461 7.392 1.00 0.00 C ATOM 1232 CG GLU A 80 -7.029 9.465 7.564 1.00 0.00 C ATOM 1233 CD GLU A 80 -6.689 10.561 8.555 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -6.090 11.573 8.136 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -7.020 10.406 9.749 1.00 0.00 O ATOM 0 H GLU A 80 -7.514 6.705 8.022 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.722 7.697 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.632 8.060 8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.023 8.977 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.261 9.913 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.926 8.944 7.898 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.464 5.740 6.962 1.00 0.00 N ATOM 1243 CA GLN A 81 -3.251 4.974 6.700 1.00 0.00 C ATOM 1244 C GLN A 81 -3.530 3.827 5.735 1.00 0.00 C ATOM 1245 O GLN A 81 -2.735 3.554 4.835 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.675 4.428 8.007 1.00 0.00 C ATOM 1247 CG GLN A 81 -2.578 5.469 9.111 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.257 6.212 9.099 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -0.592 6.302 8.066 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.869 6.750 10.249 1.00 0.00 N ATOM 0 H GLN A 81 -4.867 5.589 7.887 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.522 5.642 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.297 3.602 8.352 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.682 4.021 7.815 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.394 6.184 9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.707 4.981 10.077 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.451 6.651 11.081 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.011 7.262 10.301 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.662 3.159 5.928 1.00 0.00 N ATOM 1260 CA ILE A 82 -5.045 2.042 5.074 1.00 0.00 C ATOM 1261 C ILE A 82 -4.935 2.414 3.600 1.00 0.00 C ATOM 1262 O ILE A 82 -4.149 1.826 2.858 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.483 1.576 5.368 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.618 1.161 6.835 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -6.866 0.425 4.449 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.725 0.002 7.220 1.00 0.00 C ATOM 0 H ILE A 82 -5.330 3.372 6.669 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.355 1.227 5.293 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.164 2.407 5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.383 2.016 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.655 0.892 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.885 0.107 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.804 0.752 3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.183 -0.410 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.873 -0.238 8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.974 -0.867 6.611 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.683 0.275 7.053 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.727 3.397 3.182 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.718 3.848 1.796 1.00 0.00 C ATOM 1280 C GLN A 83 -4.316 3.754 1.202 1.00 0.00 C ATOM 1281 O GLN A 83 -4.113 3.125 0.163 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.228 5.287 1.703 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.530 5.735 0.282 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.931 5.360 -0.162 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.899 6.057 0.145 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.046 4.256 -0.890 1.00 0.00 N ATOM 0 H GLN A 83 -6.383 3.896 3.784 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.380 3.197 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.132 5.383 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.484 5.956 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.408 6.816 0.212 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.805 5.287 -0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.217 3.709 -1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.964 3.955 -1.218 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.353 4.381 1.868 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.970 4.369 1.406 1.00 0.00 C ATOM 1297 C CYS A 84 -1.583 2.988 0.886 1.00 0.00 C ATOM 1298 O CYS A 84 -1.210 2.834 -0.277 1.00 0.00 O ATOM 1299 CB CYS A 84 -1.028 4.784 2.537 1.00 0.00 C ATOM 1300 SG CYS A 84 -1.320 6.454 3.166 1.00 0.00 S ATOM 0 H CYS A 84 -3.505 4.904 2.730 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.880 5.084 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.130 4.075 3.359 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.000 4.716 2.182 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.481 6.501 3.750 1.00 0.00 H new ATOM 1306 N MET A 85 -1.673 1.988 1.756 1.00 0.00 N ATOM 1307 CA MET A 85 -1.331 0.619 1.384 1.00 0.00 C ATOM 1308 C MET A 85 -1.741 0.329 -0.056 1.00 0.00 C ATOM 1309 O MET A 85 -0.908 -0.035 -0.885 1.00 0.00 O ATOM 1310 CB MET A 85 -2.011 -0.373 2.330 1.00 0.00 C ATOM 1311 CG MET A 85 -1.484 -0.313 3.754 1.00 0.00 C ATOM 1312 SD MET A 85 0.312 -0.455 3.838 1.00 0.00 S ATOM 1313 CE MET A 85 0.551 -2.108 3.192 1.00 0.00 C ATOM 0 H MET A 85 -1.979 2.099 2.723 1.00 0.00 H new ATOM 0 HA MET A 85 -0.250 0.505 1.465 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.083 -0.177 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.875 -1.383 1.943 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.792 0.627 4.212 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.935 -1.115 4.338 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.136 -2.694 3.900 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.418 -2.583 3.041 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.081 -2.054 2.241 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.027 0.493 -0.345 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.546 0.247 -1.686 1.00 0.00 C ATOM 1325 C GLN A 86 -2.926 1.209 -2.694 1.00 0.00 C ATOM 1326 O GLN A 86 -2.373 0.788 -3.710 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.069 0.386 -1.700 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.792 -0.771 -1.028 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.447 -0.898 0.443 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.128 -1.985 0.926 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.510 0.215 1.165 1.00 0.00 N ATOM 0 H GLN A 86 -3.729 0.795 0.330 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.279 -0.771 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.345 1.315 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.409 0.465 -2.733 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.868 -0.633 -1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.537 -1.700 -1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.779 1.094 0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.289 0.190 2.161 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.024 2.502 -2.407 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.473 3.525 -3.288 1.00 0.00 C ATOM 1342 C ASP A 87 -1.083 3.130 -3.777 1.00 0.00 C ATOM 1343 O ASP A 87 -0.762 3.279 -4.955 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.409 4.871 -2.565 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.744 5.589 -2.558 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.568 5.319 -3.458 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.966 6.419 -1.653 1.00 0.00 O ATOM 0 H ASP A 87 -3.480 2.867 -1.571 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.130 3.617 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.079 4.713 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.662 5.503 -3.046 1.00 0.00 H new ATOM 1352 N MET A 88 -0.261 2.625 -2.862 1.00 0.00 N ATOM 1353 CA MET A 88 1.095 2.208 -3.200 1.00 0.00 C ATOM 1354 C MET A 88 1.167 0.696 -3.390 1.00 0.00 C ATOM 1355 O MET A 88 1.260 0.205 -4.514 1.00 0.00 O ATOM 1356 CB MET A 88 2.073 2.644 -2.108 1.00 0.00 C ATOM 1357 CG MET A 88 3.511 2.234 -2.381 1.00 0.00 C ATOM 1358 SD MET A 88 4.419 3.471 -3.328 1.00 0.00 S ATOM 1359 CE MET A 88 5.041 2.473 -4.679 1.00 0.00 C ATOM 0 H MET A 88 -0.510 2.495 -1.882 1.00 0.00 H new ATOM 0 HA MET A 88 1.373 2.688 -4.138 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.027 3.728 -2.002 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.756 2.217 -1.156 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.021 2.061 -1.434 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.518 1.289 -2.924 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.128 2.418 -4.620 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.623 1.469 -4.612 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.751 2.924 -5.628 1.00 0.00 H new ATOM 1369 N GLY A 89 1.125 -0.038 -2.282 1.00 0.00 N ATOM 1370 CA GLY A 89 1.187 -1.486 -2.349 1.00 0.00 C ATOM 1371 C GLY A 89 2.502 -1.984 -2.913 1.00 0.00 C ATOM 1372 O GLY A 89 3.281 -1.209 -3.467 1.00 0.00 O ATOM 0 H GLY A 89 1.049 0.345 -1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.044 -1.899 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.368 -1.854 -2.967 1.00 0.00 H new ATOM 1376 N ASN A 90 2.752 -3.282 -2.772 1.00 0.00 N ATOM 1377 CA ASN A 90 3.984 -3.883 -3.271 1.00 0.00 C ATOM 1378 C ASN A 90 4.075 -3.756 -4.788 1.00 0.00 C ATOM 1379 O ASN A 90 5.117 -3.385 -5.330 1.00 0.00 O ATOM 1380 CB ASN A 90 4.058 -5.356 -2.865 1.00 0.00 C ATOM 1381 CG ASN A 90 4.259 -5.536 -1.373 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.765 -4.746 -0.569 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.988 -6.580 -0.996 1.00 0.00 N ATOM 0 H ASN A 90 2.118 -3.938 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 90 4.825 -3.349 -2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.140 -5.860 -3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.877 -5.837 -3.400 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.158 -6.752 -0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.378 -7.209 -1.697 1.00 0.00 H new ATOM 1390 N THR A 91 2.977 -4.066 -5.470 1.00 0.00 N ATOM 1391 CA THR A 91 2.932 -3.987 -6.925 1.00 0.00 C ATOM 1392 C THR A 91 3.702 -2.774 -7.434 1.00 0.00 C ATOM 1393 O THR A 91 4.727 -2.912 -8.103 1.00 0.00 O ATOM 1394 CB THR A 91 1.482 -3.914 -7.439 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.689 -4.929 -6.815 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.435 -4.083 -8.950 1.00 0.00 C ATOM 0 H THR A 91 2.106 -4.374 -5.038 1.00 0.00 H new ATOM 0 HA THR A 91 3.399 -4.896 -7.305 1.00 0.00 H new ATOM 0 HB THR A 91 1.079 -2.933 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.232 -4.875 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.401 -4.028 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.015 -3.291 -9.423 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.855 -5.052 -9.221 1.00 0.00 H new ATOM 1404 N LYS A 92 3.204 -1.585 -7.112 1.00 0.00 N ATOM 1405 CA LYS A 92 3.846 -0.346 -7.535 1.00 0.00 C ATOM 1406 C LYS A 92 5.260 -0.246 -6.971 1.00 0.00 C ATOM 1407 O LYS A 92 6.208 0.050 -7.697 1.00 0.00 O ATOM 1408 CB LYS A 92 3.019 0.860 -7.084 1.00 0.00 C ATOM 1409 CG LYS A 92 1.703 1.008 -7.828 1.00 0.00 C ATOM 1410 CD LYS A 92 1.163 2.425 -7.730 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.256 2.518 -8.268 1.00 0.00 C ATOM 1412 NZ LYS A 92 -1.202 1.671 -7.490 1.00 0.00 N ATOM 0 H LYS A 92 2.357 -1.453 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 92 3.907 -0.350 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.815 0.772 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.609 1.766 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.845 0.743 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.972 0.310 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.181 2.752 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.810 3.102 -8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.588 3.556 -8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.269 2.210 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.180 1.924 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.036 0.669 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.052 1.827 -6.473 1.00 0.00 H new ATOM 1426 N ALA A 93 5.393 -0.497 -5.673 1.00 0.00 N ATOM 1427 CA ALA A 93 6.692 -0.439 -5.013 1.00 0.00 C ATOM 1428 C ALA A 93 7.764 -1.127 -5.850 1.00 0.00 C ATOM 1429 O ALA A 93 8.904 -0.666 -5.917 1.00 0.00 O ATOM 1430 CB ALA A 93 6.611 -1.071 -3.632 1.00 0.00 C ATOM 0 H ALA A 93 4.618 -0.742 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 93 6.970 0.609 -4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.588 -1.021 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.881 -0.533 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.306 -2.113 -3.726 1.00 0.00 H new ATOM 1436 N ARG A 94 7.393 -2.232 -6.488 1.00 0.00 N ATOM 1437 CA ARG A 94 8.324 -2.985 -7.319 1.00 0.00 C ATOM 1438 C ARG A 94 8.586 -2.259 -8.636 1.00 0.00 C ATOM 1439 O ARG A 94 9.706 -2.265 -9.148 1.00 0.00 O ATOM 1440 CB ARG A 94 7.776 -4.386 -7.597 1.00 0.00 C ATOM 1441 CG ARG A 94 8.601 -5.175 -8.599 1.00 0.00 C ATOM 1442 CD ARG A 94 8.168 -4.886 -10.028 1.00 0.00 C ATOM 1443 NE ARG A 94 8.567 -5.950 -10.947 1.00 0.00 N ATOM 1444 CZ ARG A 94 8.746 -5.766 -12.250 1.00 0.00 C ATOM 1445 NH1 ARG A 94 8.563 -4.567 -12.785 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.110 -6.783 -13.021 1.00 0.00 N ATOM 0 H ARG A 94 6.453 -2.626 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 94 9.266 -3.072 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.730 -4.941 -6.660 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.755 -4.300 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.655 -4.926 -8.480 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.500 -6.241 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.085 -4.765 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.604 -3.942 -10.355 1.00 0.00 H new ATOM 0 HE ARG A 94 8.716 -6.885 -10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 94 8.284 -3.783 -12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.701 -4.429 -13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.252 -7.707 -12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.247 -6.641 -14.022 1.00 0.00 H new ATOM 1460 N LEU A 95 7.546 -1.635 -9.178 1.00 0.00 N ATOM 1461 CA LEU A 95 7.663 -0.905 -10.436 1.00 0.00 C ATOM 1462 C LEU A 95 8.217 0.497 -10.202 1.00 0.00 C ATOM 1463 O LEU A 95 8.451 1.249 -11.149 1.00 0.00 O ATOM 1464 CB LEU A 95 6.301 -0.818 -11.126 1.00 0.00 C ATOM 1465 CG LEU A 95 5.510 -2.124 -11.218 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.040 -1.841 -11.481 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.085 -3.020 -12.306 1.00 0.00 C ATOM 0 H LEU A 95 6.613 -1.620 -8.767 1.00 0.00 H new ATOM 0 HA LEU A 95 8.356 -1.447 -11.079 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.693 -0.085 -10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.451 -0.436 -12.136 1.00 0.00 H new ATOM 0 HG LEU A 95 5.593 -2.644 -10.264 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.494 -2.782 -11.543 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.634 -1.239 -10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.936 -1.299 -12.421 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.510 -3.945 -12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.033 -2.506 -13.266 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.125 -3.252 -12.075 1.00 0.00 H new ATOM 1479 N LEU A 96 8.428 0.840 -8.936 1.00 0.00 N ATOM 1480 CA LEU A 96 8.958 2.151 -8.577 1.00 0.00 C ATOM 1481 C LEU A 96 10.387 2.037 -8.056 1.00 0.00 C ATOM 1482 O LEU A 96 11.335 2.467 -8.714 1.00 0.00 O ATOM 1483 CB LEU A 96 8.069 2.811 -7.521 1.00 0.00 C ATOM 1484 CG LEU A 96 8.100 4.339 -7.478 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.404 4.830 -6.869 1.00 0.00 C ATOM 1486 CD2 LEU A 96 7.910 4.916 -8.874 1.00 0.00 C ATOM 0 H LEU A 96 8.240 0.229 -8.141 1.00 0.00 H new ATOM 0 HA LEU A 96 8.966 2.770 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.040 2.493 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.362 2.434 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 96 7.278 4.682 -6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.408 5.920 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.498 4.446 -5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.242 4.477 -7.470 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.935 6.005 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.710 4.564 -9.525 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.949 4.593 -9.274 1.00 0.00 H new ATOM 1498 N TYR A 97 10.535 1.452 -6.873 1.00 0.00 N ATOM 1499 CA TYR A 97 11.848 1.281 -6.263 1.00 0.00 C ATOM 1500 C TYR A 97 12.670 0.244 -7.022 1.00 0.00 C ATOM 1501 O TYR A 97 13.821 0.491 -7.381 1.00 0.00 O ATOM 1502 CB TYR A 97 11.703 0.861 -4.799 1.00 0.00 C ATOM 1503 CG TYR A 97 11.062 1.916 -3.927 1.00 0.00 C ATOM 1504 CD1 TYR A 97 9.680 2.041 -3.856 1.00 0.00 C ATOM 1505 CD2 TYR A 97 11.838 2.789 -3.175 1.00 0.00 C ATOM 1506 CE1 TYR A 97 9.089 3.004 -3.061 1.00 0.00 C ATOM 1507 CE2 TYR A 97 11.256 3.754 -2.376 1.00 0.00 C ATOM 1508 CZ TYR A 97 9.881 3.858 -2.322 1.00 0.00 C ATOM 1509 OH TYR A 97 9.298 4.819 -1.529 1.00 0.00 O ATOM 0 H TYR A 97 9.761 1.088 -6.317 1.00 0.00 H new ATOM 0 HA TYR A 97 12.369 2.237 -6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.108 -0.051 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.688 0.621 -4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.057 1.374 -4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 97 12.914 2.712 -3.216 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.013 3.088 -3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.874 4.424 -1.796 1.00 0.00 H new ATOM 0 HH TYR A 97 9.875 5.001 -0.758 1.00 0.00 H new ATOM 1519 N GLU A 98 12.069 -0.917 -7.264 1.00 0.00 N ATOM 1520 CA GLU A 98 12.746 -1.991 -7.981 1.00 0.00 C ATOM 1521 C GLU A 98 12.569 -1.835 -9.488 1.00 0.00 C ATOM 1522 O GLU A 98 12.427 -2.820 -10.212 1.00 0.00 O ATOM 1523 CB GLU A 98 12.208 -3.352 -7.531 1.00 0.00 C ATOM 1524 CG GLU A 98 12.302 -3.577 -6.031 1.00 0.00 C ATOM 1525 CD GLU A 98 11.577 -4.832 -5.584 1.00 0.00 C ATOM 1526 OE1 GLU A 98 12.009 -5.938 -5.972 1.00 0.00 O ATOM 1527 OE2 GLU A 98 10.578 -4.708 -4.846 1.00 0.00 O ATOM 0 H GLU A 98 11.116 -1.137 -6.974 1.00 0.00 H new ATOM 0 HA GLU A 98 13.810 -1.934 -7.750 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.166 -3.441 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.761 -4.139 -8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.351 -3.645 -5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.884 -2.715 -5.511 1.00 0.00 H new ATOM 1534 N ALA A 99 12.578 -0.591 -9.954 1.00 0.00 N ATOM 1535 CA ALA A 99 12.420 -0.305 -11.374 1.00 0.00 C ATOM 1536 C ALA A 99 13.773 -0.082 -12.043 1.00 0.00 C ATOM 1537 O ALA A 99 13.953 -0.397 -13.218 1.00 0.00 O ATOM 1538 CB ALA A 99 11.526 0.910 -11.572 1.00 0.00 C ATOM 0 H ALA A 99 12.693 0.236 -9.368 1.00 0.00 H new ATOM 0 HA ALA A 99 11.949 -1.169 -11.843 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.417 1.112 -12.638 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.546 0.715 -11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.974 1.775 -11.083 1.00 0.00 H new ATOM 1544 N ASN A 100 14.720 0.463 -11.286 1.00 0.00 N ATOM 1545 CA ASN A 100 16.056 0.728 -11.807 1.00 0.00 C ATOM 1546 C ASN A 100 17.019 -0.394 -11.432 1.00 0.00 C ATOM 1547 O ASN A 100 18.236 -0.208 -11.433 1.00 0.00 O ATOM 1548 CB ASN A 100 16.578 2.064 -11.272 1.00 0.00 C ATOM 1549 CG ASN A 100 16.063 3.246 -12.070 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.498 3.486 -13.196 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.132 3.993 -11.487 1.00 0.00 N ATOM 0 H ASN A 100 14.587 0.730 -10.310 1.00 0.00 H new ATOM 0 HA ASN A 100 15.992 0.779 -12.894 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.281 2.176 -10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.668 2.061 -11.295 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.749 4.803 -11.975 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.800 3.757 -10.552 1.00 0.00 H new ATOM 1558 N LEU A 101 16.465 -1.559 -11.112 1.00 0.00 N ATOM 1559 CA LEU A 101 17.275 -2.712 -10.736 1.00 0.00 C ATOM 1560 C LEU A 101 18.065 -3.237 -11.930 1.00 0.00 C ATOM 1561 O LEU A 101 17.605 -3.205 -13.072 1.00 0.00 O ATOM 1562 CB LEU A 101 16.385 -3.821 -10.171 1.00 0.00 C ATOM 1563 CG LEU A 101 16.054 -3.723 -8.681 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.100 -4.835 -8.272 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.326 -3.776 -7.848 1.00 0.00 C ATOM 0 H LEU A 101 15.459 -1.729 -11.106 1.00 0.00 H new ATOM 0 HA LEU A 101 17.982 -2.394 -9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.450 -3.829 -10.731 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.873 -4.779 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 101 15.564 -2.767 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 101 14.876 -4.749 -7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.177 -4.752 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.563 -5.802 -8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.072 -3.705 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 101 17.844 -4.717 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU A 101 17.975 -2.944 -8.122 1.00 0.00 H new ATOM 1664 N ARG A 107 18.823 -10.393 -4.820 1.00 0.00 N ATOM 1665 CA ARG A 107 18.345 -10.028 -3.492 1.00 0.00 C ATOM 1666 C ARG A 107 19.305 -10.521 -2.414 1.00 0.00 C ATOM 1667 O ARG A 107 19.832 -11.632 -2.478 1.00 0.00 O ATOM 1668 CB ARG A 107 16.950 -10.607 -3.252 1.00 0.00 C ATOM 1669 CG ARG A 107 15.830 -9.763 -3.838 1.00 0.00 C ATOM 1670 CD ARG A 107 14.589 -10.596 -4.114 1.00 0.00 C ATOM 1671 NE ARG A 107 14.577 -11.127 -5.474 1.00 0.00 N ATOM 1672 CZ ARG A 107 14.085 -10.466 -6.516 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.568 -9.256 -6.354 1.00 0.00 N ATOM 1674 NH2 ARG A 107 14.110 -11.015 -7.724 1.00 0.00 N ATOM 0 HA ARG A 107 18.294 -8.941 -3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.902 -11.607 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.790 -10.713 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.582 -8.957 -3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.170 -9.298 -4.763 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.540 -11.420 -3.403 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.700 -9.985 -3.956 1.00 0.00 H new ATOM 0 HE ARG A 107 14.968 -12.056 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.547 -8.830 -5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.191 -8.751 -7.156 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.507 -11.946 -7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.732 -10.506 -8.523 1.00 0.00 H new ATOM 1688 N PRO A 108 19.539 -9.677 -1.398 1.00 0.00 N ATOM 1689 CA PRO A 108 20.437 -10.005 -0.287 1.00 0.00 C ATOM 1690 C PRO A 108 19.865 -11.090 0.619 1.00 0.00 C ATOM 1691 O PRO A 108 18.685 -11.061 0.968 1.00 0.00 O ATOM 1692 CB PRO A 108 20.558 -8.682 0.474 1.00 0.00 C ATOM 1693 CG PRO A 108 19.306 -7.942 0.149 1.00 0.00 C ATOM 1694 CD PRO A 108 18.946 -8.336 -1.257 1.00 0.00 C ATOM 0 HA PRO A 108 21.391 -10.400 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.652 -8.850 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.440 -8.124 0.160 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.507 -8.202 0.844 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.458 -6.865 0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.866 -8.357 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.354 -7.637 -1.987 1.00 0.00 H new ATOM 1702 N GLN A 109 20.709 -12.045 0.996 1.00 0.00 N ATOM 1703 CA GLN A 109 20.285 -13.140 1.862 1.00 0.00 C ATOM 1704 C GLN A 109 20.783 -12.930 3.288 1.00 0.00 C ATOM 1705 O GLN A 109 20.087 -13.247 4.253 1.00 0.00 O ATOM 1706 CB GLN A 109 20.800 -14.475 1.320 1.00 0.00 C ATOM 1707 CG GLN A 109 20.011 -14.994 0.130 1.00 0.00 C ATOM 1708 CD GLN A 109 18.542 -15.195 0.446 1.00 0.00 C ATOM 1709 OE1 GLN A 109 18.132 -16.267 0.891 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.740 -14.161 0.218 1.00 0.00 N ATOM 0 H GLN A 109 21.689 -12.083 0.716 1.00 0.00 H new ATOM 0 HA GLN A 109 19.195 -13.158 1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.845 -14.361 1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.769 -15.217 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.108 -14.293 -0.699 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.440 -15.940 -0.201 1.00 0.00 H new ATOM 0 HE21 GLN A 109 18.123 -13.291 -0.152 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.742 -14.237 0.413 1.00 0.00 H new ATOM 1719 N THR A 110 21.993 -12.394 3.414 1.00 0.00 N ATOM 1720 CA THR A 110 22.585 -12.143 4.722 1.00 0.00 C ATOM 1721 C THR A 110 22.232 -10.748 5.227 1.00 0.00 C ATOM 1722 O THR A 110 22.465 -9.753 4.541 1.00 0.00 O ATOM 1723 CB THR A 110 24.118 -12.290 4.683 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.673 -11.977 5.965 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.722 -11.378 3.626 1.00 0.00 C ATOM 0 H THR A 110 22.582 -12.125 2.626 1.00 0.00 H new ATOM 0 HA THR A 110 22.173 -12.888 5.403 1.00 0.00 H new ATOM 0 HB THR A 110 24.356 -13.323 4.428 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.648 -12.075 5.932 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.805 -11.499 3.617 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.319 -11.639 2.647 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.475 -10.342 3.855 1.00 0.00 H new ATOM 1733 N ASP A 111 21.671 -10.684 6.429 1.00 0.00 N ATOM 1734 CA ASP A 111 21.288 -9.410 7.027 1.00 0.00 C ATOM 1735 C ASP A 111 22.266 -8.308 6.631 1.00 0.00 C ATOM 1736 O ASP A 111 21.866 -7.268 6.109 1.00 0.00 O ATOM 1737 CB ASP A 111 21.229 -9.534 8.550 1.00 0.00 C ATOM 1738 CG ASP A 111 20.218 -8.589 9.169 1.00 0.00 C ATOM 1739 OD1 ASP A 111 20.292 -7.374 8.889 1.00 0.00 O ATOM 1740 OD2 ASP A 111 19.353 -9.064 9.933 1.00 0.00 O ATOM 0 H ASP A 111 21.471 -11.499 7.009 1.00 0.00 H new ATOM 0 HA ASP A 111 20.299 -9.144 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 111 20.975 -10.559 8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 111 22.215 -9.330 8.967 1.00 0.00 H new ATOM 1745 N GLN A 112 23.549 -8.544 6.884 1.00 0.00 N ATOM 1746 CA GLN A 112 24.584 -7.571 6.556 1.00 0.00 C ATOM 1747 C GLN A 112 24.247 -6.832 5.265 1.00 0.00 C ATOM 1748 O GLN A 112 24.021 -5.622 5.271 1.00 0.00 O ATOM 1749 CB GLN A 112 25.941 -8.263 6.421 1.00 0.00 C ATOM 1750 CG GLN A 112 26.764 -8.241 7.699 1.00 0.00 C ATOM 1751 CD GLN A 112 27.668 -9.452 7.832 1.00 0.00 C ATOM 1752 OE1 GLN A 112 27.349 -10.403 8.545 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.803 -9.422 7.144 1.00 0.00 N ATOM 0 H GLN A 112 23.897 -9.401 7.315 1.00 0.00 H new ATOM 0 HA GLN A 112 24.634 -6.845 7.367 1.00 0.00 H new ATOM 0 HB2 GLN A 112 25.783 -9.298 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.508 -7.781 5.625 1.00 0.00 H new ATOM 0 HG2 GLN A 112 27.370 -7.336 7.721 1.00 0.00 H new ATOM 0 HG3 GLN A 112 26.094 -8.196 8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 112 29.027 -8.613 6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.451 -10.208 7.194 1.00 0.00 H new ATOM 1762 N ALA A 113 24.215 -7.569 4.159 1.00 0.00 N ATOM 1763 CA ALA A 113 23.903 -6.984 2.860 1.00 0.00 C ATOM 1764 C ALA A 113 22.494 -6.401 2.844 1.00 0.00 C ATOM 1765 O ALA A 113 22.298 -5.234 2.506 1.00 0.00 O ATOM 1766 CB ALA A 113 24.058 -8.025 1.762 1.00 0.00 C ATOM 0 H ALA A 113 24.401 -8.572 4.137 1.00 0.00 H new ATOM 0 HA ALA A 113 24.606 -6.171 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.822 -7.575 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.085 -8.391 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.379 -8.856 1.950 1.00 0.00 H new ATOM 1772 N VAL A 114 21.515 -7.222 3.211 1.00 0.00 N ATOM 1773 CA VAL A 114 20.124 -6.787 3.240 1.00 0.00 C ATOM 1774 C VAL A 114 20.005 -5.358 3.755 1.00 0.00 C ATOM 1775 O VAL A 114 19.419 -4.498 3.098 1.00 0.00 O ATOM 1776 CB VAL A 114 19.265 -7.713 4.122 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.831 -7.210 4.186 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.314 -9.141 3.601 1.00 0.00 C ATOM 0 H VAL A 114 21.660 -8.192 3.492 1.00 0.00 H new ATOM 0 HA VAL A 114 19.757 -6.831 2.215 1.00 0.00 H new ATOM 0 HB VAL A 114 19.674 -7.705 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.239 -7.877 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.816 -6.206 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.408 -7.187 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.702 -9.781 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.931 -9.169 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.344 -9.497 3.612 1.00 0.00 H new ATOM 1788 N GLU A 115 20.565 -5.111 4.935 1.00 0.00 N ATOM 1789 CA GLU A 115 20.521 -3.785 5.539 1.00 0.00 C ATOM 1790 C GLU A 115 20.951 -2.717 4.537 1.00 0.00 C ATOM 1791 O GLU A 115 20.236 -1.741 4.307 1.00 0.00 O ATOM 1792 CB GLU A 115 21.422 -3.732 6.775 1.00 0.00 C ATOM 1793 CG GLU A 115 21.266 -2.458 7.588 1.00 0.00 C ATOM 1794 CD GLU A 115 22.512 -2.117 8.382 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.613 -2.532 7.965 1.00 0.00 O ATOM 1796 OE2 GLU A 115 22.385 -1.436 9.421 1.00 0.00 O ATOM 0 H GLU A 115 21.054 -5.812 5.491 1.00 0.00 H new ATOM 0 HA GLU A 115 19.493 -3.585 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.201 -4.589 7.412 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.461 -3.828 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.028 -1.631 6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.423 -2.568 8.271 1.00 0.00 H new ATOM 1803 N PHE A 116 22.125 -2.908 3.945 1.00 0.00 N ATOM 1804 CA PHE A 116 22.652 -1.961 2.969 1.00 0.00 C ATOM 1805 C PHE A 116 21.674 -1.770 1.813 1.00 0.00 C ATOM 1806 O PHE A 116 21.326 -0.643 1.460 1.00 0.00 O ATOM 1807 CB PHE A 116 24.002 -2.445 2.435 1.00 0.00 C ATOM 1808 CG PHE A 116 25.147 -2.176 3.369 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.461 -0.881 3.747 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.909 -3.219 3.870 1.00 0.00 C ATOM 1811 CE1 PHE A 116 26.515 -0.631 4.605 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.964 -2.976 4.729 1.00 0.00 C ATOM 1813 CZ PHE A 116 27.267 -1.680 5.098 1.00 0.00 C ATOM 0 H PHE A 116 22.730 -3.710 4.124 1.00 0.00 H new ATOM 0 HA PHE A 116 22.789 -1.002 3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.945 -3.516 2.242 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.201 -1.960 1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.875 -0.057 3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.676 -4.234 3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.751 0.384 4.890 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.551 -3.798 5.111 1.00 0.00 H new ATOM 0 HZ PHE A 116 28.090 -1.487 5.770 1.00 0.00 H new ATOM 1823 N PHE A 117 21.236 -2.879 1.228 1.00 0.00 N ATOM 1824 CA PHE A 117 20.299 -2.835 0.111 1.00 0.00 C ATOM 1825 C PHE A 117 19.148 -1.877 0.404 1.00 0.00 C ATOM 1826 O PHE A 117 18.721 -1.119 -0.468 1.00 0.00 O ATOM 1827 CB PHE A 117 19.752 -4.234 -0.179 1.00 0.00 C ATOM 1828 CG PHE A 117 18.715 -4.259 -1.265 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.062 -3.986 -2.579 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.394 -4.556 -0.973 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.110 -4.008 -3.580 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.437 -4.579 -1.971 1.00 0.00 C ATOM 1833 CZ PHE A 117 16.796 -4.306 -3.276 1.00 0.00 C ATOM 0 H PHE A 117 21.514 -3.819 1.508 1.00 0.00 H new ATOM 0 HA PHE A 117 20.835 -2.473 -0.766 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.578 -4.887 -0.461 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.320 -4.643 0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.088 -3.753 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.108 -4.772 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.393 -3.792 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.410 -4.810 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.051 -4.325 -4.058 1.00 0.00 H new ATOM 1843 N ILE A 118 18.651 -1.918 1.635 1.00 0.00 N ATOM 1844 CA ILE A 118 17.551 -1.054 2.043 1.00 0.00 C ATOM 1845 C ILE A 118 18.053 0.336 2.419 1.00 0.00 C ATOM 1846 O ILE A 118 17.364 1.334 2.208 1.00 0.00 O ATOM 1847 CB ILE A 118 16.781 -1.649 3.237 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.206 -3.018 2.870 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.672 -0.704 3.677 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.786 -3.839 4.069 1.00 0.00 C ATOM 0 H ILE A 118 18.993 -2.540 2.367 1.00 0.00 H new ATOM 0 HA ILE A 118 16.878 -0.976 1.189 1.00 0.00 H new ATOM 0 HB ILE A 118 17.474 -1.777 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.345 -2.878 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.951 -3.575 2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.137 -1.139 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 118 16.105 0.251 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.979 -0.547 2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.388 -4.796 3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.649 -4.010 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.018 -3.302 4.626 1.00 0.00 H new ATOM 1862 N ARG A 119 19.259 0.393 2.975 1.00 0.00 N ATOM 1863 CA ARG A 119 19.854 1.661 3.380 1.00 0.00 C ATOM 1864 C ARG A 119 20.317 2.457 2.163 1.00 0.00 C ATOM 1865 O ARG A 119 20.723 3.613 2.283 1.00 0.00 O ATOM 1866 CB ARG A 119 21.034 1.417 4.322 1.00 0.00 C ATOM 1867 CG ARG A 119 20.647 1.405 5.792 1.00 0.00 C ATOM 1868 CD ARG A 119 21.830 1.041 6.676 1.00 0.00 C ATOM 1869 NE ARG A 119 22.787 2.138 6.788 1.00 0.00 N ATOM 1870 CZ ARG A 119 23.642 2.268 7.797 1.00 0.00 C ATOM 1871 NH1 ARG A 119 23.658 1.373 8.776 1.00 0.00 N ATOM 1872 NH2 ARG A 119 24.483 3.293 7.827 1.00 0.00 N ATOM 0 H ARG A 119 19.843 -0.424 3.155 1.00 0.00 H new ATOM 0 HA ARG A 119 19.093 2.240 3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.499 0.464 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 119 21.784 2.191 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 119 20.266 2.386 6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.839 0.691 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 119 21.471 0.770 7.669 1.00 0.00 H new ATOM 0 HD3 ARG A 119 22.331 0.163 6.268 1.00 0.00 H new ATOM 0 HE ARG A 119 22.800 2.843 6.051 1.00 0.00 H new ATOM 0 HH11 ARG A 119 23.013 0.583 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 119 24.315 1.475 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 119 24.474 3.982 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 119 25.139 3.392 8.602 1.00 0.00 H new ATOM 1886 N ASP A 120 20.254 1.830 0.994 1.00 0.00 N ATOM 1887 CA ASP A 120 20.666 2.479 -0.245 1.00 0.00 C ATOM 1888 C ASP A 120 19.544 2.442 -1.278 1.00 0.00 C ATOM 1889 O ASP A 120 19.577 3.166 -2.273 1.00 0.00 O ATOM 1890 CB ASP A 120 21.917 1.803 -0.809 1.00 0.00 C ATOM 1891 CG ASP A 120 22.994 1.611 0.241 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.063 2.435 1.177 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.769 0.638 0.126 1.00 0.00 O ATOM 0 H ASP A 120 19.921 0.873 0.878 1.00 0.00 H new ATOM 0 HA ASP A 120 20.895 3.521 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.645 0.834 -1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.314 2.404 -1.627 1.00 0.00 H new ATOM 1898 N LYS A 121 18.552 1.592 -1.035 1.00 0.00 N ATOM 1899 CA LYS A 121 17.418 1.460 -1.943 1.00 0.00 C ATOM 1900 C LYS A 121 16.323 2.463 -1.596 1.00 0.00 C ATOM 1901 O LYS A 121 15.773 3.125 -2.476 1.00 0.00 O ATOM 1902 CB LYS A 121 16.858 0.037 -1.886 1.00 0.00 C ATOM 1903 CG LYS A 121 15.525 -0.120 -2.598 1.00 0.00 C ATOM 1904 CD LYS A 121 15.052 -1.564 -2.584 1.00 0.00 C ATOM 1905 CE LYS A 121 14.214 -1.888 -3.811 1.00 0.00 C ATOM 1906 NZ LYS A 121 15.038 -1.930 -5.051 1.00 0.00 N ATOM 0 H LYS A 121 18.510 0.984 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 121 17.768 1.667 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.581 -0.647 -2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.740 -0.257 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.778 0.513 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.619 0.223 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.914 -2.230 -2.545 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.466 -1.747 -1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.721 -2.850 -3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.429 -1.140 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 14.533 -1.444 -5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 15.948 -1.456 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.209 -2.920 -5.321 1.00 0.00 H new ATOM 1920 N TYR A 122 16.012 2.571 -0.309 1.00 0.00 N ATOM 1921 CA TYR A 122 14.982 3.493 0.154 1.00 0.00 C ATOM 1922 C TYR A 122 15.602 4.787 0.673 1.00 0.00 C ATOM 1923 O TYR A 122 15.193 5.882 0.287 1.00 0.00 O ATOM 1924 CB TYR A 122 14.140 2.842 1.252 1.00 0.00 C ATOM 1925 CG TYR A 122 13.052 1.934 0.724 1.00 0.00 C ATOM 1926 CD1 TYR A 122 11.831 2.450 0.310 1.00 0.00 C ATOM 1927 CD2 TYR A 122 13.247 0.561 0.637 1.00 0.00 C ATOM 1928 CE1 TYR A 122 10.834 1.624 -0.173 1.00 0.00 C ATOM 1929 CE2 TYR A 122 12.256 -0.272 0.154 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.051 0.265 -0.249 1.00 0.00 C ATOM 1931 OH TYR A 122 10.061 -0.561 -0.731 1.00 0.00 O ATOM 0 H TYR A 122 16.459 2.031 0.432 1.00 0.00 H new ATOM 0 HA TYR A 122 14.339 3.733 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.795 2.267 1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.685 3.623 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.658 3.515 0.366 1.00 0.00 H new ATOM 0 HD2 TYR A 122 14.189 0.138 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.889 2.041 -0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 122 12.424 -1.337 0.092 1.00 0.00 H new ATOM 0 HH TYR A 122 10.375 -1.489 -0.720 1.00 0.00 H new ATOM 1941 N GLU A 123 16.592 4.651 1.549 1.00 0.00 N ATOM 1942 CA GLU A 123 17.269 5.809 2.122 1.00 0.00 C ATOM 1943 C GLU A 123 17.936 6.643 1.032 1.00 0.00 C ATOM 1944 O GLU A 123 17.491 7.748 0.719 1.00 0.00 O ATOM 1945 CB GLU A 123 18.313 5.362 3.147 1.00 0.00 C ATOM 1946 CG GLU A 123 18.537 6.366 4.265 1.00 0.00 C ATOM 1947 CD GLU A 123 19.925 6.267 4.869 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.910 6.316 4.103 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.026 6.139 6.107 1.00 0.00 O ATOM 0 H GLU A 123 16.943 3.751 1.877 1.00 0.00 H new ATOM 0 HA GLU A 123 16.521 6.425 2.621 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.001 4.412 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.259 5.183 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.384 7.374 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.793 6.207 5.046 1.00 0.00 H new ATOM 1956 N LYS A 124 19.007 6.107 0.456 1.00 0.00 N ATOM 1957 CA LYS A 124 19.737 6.799 -0.599 1.00 0.00 C ATOM 1958 C LYS A 124 18.869 6.962 -1.844 1.00 0.00 C ATOM 1959 O LYS A 124 19.125 7.826 -2.683 1.00 0.00 O ATOM 1960 CB LYS A 124 21.014 6.033 -0.951 1.00 0.00 C ATOM 1961 CG LYS A 124 21.983 5.900 0.210 1.00 0.00 C ATOM 1962 CD LYS A 124 23.185 5.048 -0.161 1.00 0.00 C ATOM 1963 CE LYS A 124 24.257 5.870 -0.860 1.00 0.00 C ATOM 1964 NZ LYS A 124 24.069 5.885 -2.337 1.00 0.00 N ATOM 0 H LYS A 124 19.389 5.194 0.703 1.00 0.00 H new ATOM 0 HA LYS A 124 20.005 7.790 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.745 5.038 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.516 6.539 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 124 22.319 6.890 0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.471 5.456 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.602 4.594 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.868 4.233 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.236 6.892 -0.481 1.00 0.00 H new ATOM 0 HE3 LYS A 124 25.240 5.462 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 24.784 5.276 -2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 23.119 5.532 -2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 24.173 6.858 -2.690 1.00 0.00 H new ATOM 1978 N LYS A 125 17.842 6.127 -1.956 1.00 0.00 N ATOM 1979 CA LYS A 125 16.934 6.179 -3.096 1.00 0.00 C ATOM 1980 C LYS A 125 17.685 5.934 -4.401 1.00 0.00 C ATOM 1981 O LYS A 125 17.416 6.577 -5.415 1.00 0.00 O ATOM 1982 CB LYS A 125 16.228 7.536 -3.150 1.00 0.00 C ATOM 1983 CG LYS A 125 15.337 7.805 -1.949 1.00 0.00 C ATOM 1984 CD LYS A 125 14.052 6.996 -2.016 1.00 0.00 C ATOM 1985 CE LYS A 125 12.974 7.588 -1.120 1.00 0.00 C ATOM 1986 NZ LYS A 125 11.957 6.572 -0.731 1.00 0.00 N ATOM 0 H LYS A 125 17.617 5.406 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 125 16.189 5.393 -2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 125 16.978 8.324 -3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.626 7.588 -4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.875 7.560 -1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.097 8.867 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.694 6.964 -3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.252 5.967 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.434 8.003 -0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.484 8.413 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.340 6.964 0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.385 6.318 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.436 5.723 -0.368 1.00 0.00 H new ATOM 2000 N LYS A 126 18.627 4.997 -4.369 1.00 0.00 N ATOM 2001 CA LYS A 126 19.416 4.664 -5.549 1.00 0.00 C ATOM 2002 C LYS A 126 18.523 4.141 -6.670 1.00 0.00 C ATOM 2003 O LYS A 126 18.286 4.832 -7.661 1.00 0.00 O ATOM 2004 CB LYS A 126 20.478 3.619 -5.200 1.00 0.00 C ATOM 2005 CG LYS A 126 21.803 4.220 -4.765 1.00 0.00 C ATOM 2006 CD LYS A 126 22.702 3.180 -4.117 1.00 0.00 C ATOM 2007 CE LYS A 126 23.575 2.479 -5.146 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.810 3.255 -5.447 1.00 0.00 N ATOM 0 H LYS A 126 18.863 4.455 -3.538 1.00 0.00 H new ATOM 0 HA LYS A 126 19.909 5.573 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.099 2.980 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.646 2.980 -6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.309 4.652 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.621 5.033 -4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.333 3.659 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.091 2.444 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.848 1.490 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.006 2.331 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.378 2.744 -6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.550 4.189 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.366 3.375 -4.576 1.00 0.00 H new ATOM 2022 N TYR A 127 18.029 2.919 -6.506 1.00 0.00 N ATOM 2023 CA TYR A 127 17.163 2.304 -7.505 1.00 0.00 C ATOM 2024 C TYR A 127 15.829 3.038 -7.594 1.00 0.00 C ATOM 2025 O TYR A 127 15.055 2.832 -8.530 1.00 0.00 O ATOM 2026 CB TYR A 127 16.926 0.831 -7.167 1.00 0.00 C ATOM 2027 CG TYR A 127 18.177 0.101 -6.732 1.00 0.00 C ATOM 2028 CD1 TYR A 127 18.639 0.193 -5.425 1.00 0.00 C ATOM 2029 CD2 TYR A 127 18.896 -0.681 -7.628 1.00 0.00 C ATOM 2030 CE1 TYR A 127 19.782 -0.472 -5.024 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.038 -1.350 -7.235 1.00 0.00 C ATOM 2032 CZ TYR A 127 20.477 -1.243 -5.932 1.00 0.00 C ATOM 2033 OH TYR A 127 21.616 -1.907 -5.536 1.00 0.00 O ATOM 0 H TYR A 127 18.213 2.335 -5.691 1.00 0.00 H new ATOM 0 HA TYR A 127 17.660 2.372 -8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.182 0.764 -6.373 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.507 0.329 -8.040 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.096 0.794 -4.711 1.00 0.00 H new ATOM 0 HD2 TYR A 127 18.556 -0.767 -8.649 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.129 -0.388 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 127 20.585 -1.954 -7.944 1.00 0.00 H new ATOM 0 HH TYR A 127 21.985 -2.406 -6.295 1.00 0.00 H new ATOM 2043 N TYR A 128 15.566 3.896 -6.615 1.00 0.00 N ATOM 2044 CA TYR A 128 14.325 4.660 -6.581 1.00 0.00 C ATOM 2045 C TYR A 128 14.115 5.418 -7.888 1.00 0.00 C ATOM 2046 O TYR A 128 14.934 6.254 -8.272 1.00 0.00 O ATOM 2047 CB TYR A 128 14.337 5.640 -5.406 1.00 0.00 C ATOM 2048 CG TYR A 128 13.054 6.426 -5.261 1.00 0.00 C ATOM 2049 CD1 TYR A 128 11.901 5.827 -4.769 1.00 0.00 C ATOM 2050 CD2 TYR A 128 12.995 7.769 -5.614 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.726 6.542 -4.634 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.825 8.492 -5.482 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.693 7.874 -4.992 1.00 0.00 C ATOM 2054 OH TYR A 128 9.525 8.589 -4.859 1.00 0.00 O ATOM 0 H TYR A 128 16.196 4.080 -5.834 1.00 0.00 H new ATOM 0 HA TYR A 128 13.500 3.959 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.521 5.087 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.167 6.335 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 128 11.923 4.785 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.879 8.256 -5.998 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.839 6.061 -4.250 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.797 9.535 -5.761 1.00 0.00 H new ATOM 0 HH TYR A 128 9.671 9.512 -5.154 1.00 0.00 H new ATOM 2064 N ASP A 129 13.013 5.120 -8.567 1.00 0.00 N ATOM 2065 CA ASP A 129 12.693 5.773 -9.831 1.00 0.00 C ATOM 2066 C ASP A 129 11.795 6.985 -9.604 1.00 0.00 C ATOM 2067 O ASP A 129 10.654 6.852 -9.161 1.00 0.00 O ATOM 2068 CB ASP A 129 12.011 4.788 -10.781 1.00 0.00 C ATOM 2069 CG ASP A 129 12.027 5.265 -12.220 1.00 0.00 C ATOM 2070 OD1 ASP A 129 13.037 5.023 -12.914 1.00 0.00 O ATOM 2071 OD2 ASP A 129 11.030 5.880 -12.652 1.00 0.00 O ATOM 0 H ASP A 129 12.326 4.430 -8.263 1.00 0.00 H new ATOM 0 HA ASP A 129 13.625 6.113 -10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.510 3.821 -10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.979 4.636 -10.463 1.00 0.00 H new