USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=24 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 78 THR OG1 : rot -134:sc= -0.742 USER MOD Set 1.2: A 81 GLN : amide:sc= -0.663 K(o=-1.4,f=-7.3!) USER MOD Set 2.1: A 17 GLN : amide:sc= 0.412 K(o=1.6,f=-3.7!) USER MOD Set 2.2: A 73 ASN :FLIP amide:sc= 1.15 F(o=-0.54,f=1.6) USER MOD Set 3.1: A 59 HIS : no HD1:sc= -0.194 K(o=-0.013,f=-1.4) USER MOD Set 3.2: A 67 SER OG : rot 161:sc= 0.181 USER MOD Set 4.1: A 32 CYS SG : rot 161:sc= -1.06 USER MOD Set 4.2: A 35 CYS SG : rot -52:sc= -0.822! USER MOD Set 4.3: A 52 CYS SG : rot -120:sc= 2.17 USER MOD Set 4.4: A 55 CYS SG : rot 90:sc= -0.0439 USER MOD Single : A 16 HIS : no HD1:sc= -1.95! C(o=-1.9!,f=-2!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -3.05 K(o=-3.1,f=-11!) USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= 1.28 (180deg=-0.175) 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 7:sc= 0.0431 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.123 F(o=-1.2,f=-0.12) USER MOD Single : A 61 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.3) USER MOD Single : A 65 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-1.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 35:sc= -0.0748 USER MOD Single : A 76 GLN : amide:sc= -0.725 X(o=-0.73,f=-0.73) USER MOD Single : A 83 GLN : amide:sc= -0.508 K(o=-0.51,f=-1.6) USER MOD Single : A 84 CYS SG : rot 83:sc= 1.16 USER MOD Single : A 85 MET CE :methyl -169:sc= -0.715 (180deg=-0.909) USER MOD Single : A 86 GLN : amide:sc= -7.53! C(o=-7.5!,f=-7.7!) USER MOD Single : A 88 MET CE :methyl -105:sc= -0.934 (180deg=-4.28!) USER MOD Single : A 90 ASN : amide:sc= -0.739 K(o=-0.74,f=-6.8!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.0285 X(o=-0.028,f=-0.078) USER MOD Single : A 109 GLN : amide:sc=-0.00109 X(o=-0.0011,f=0) 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+ 179:sc= -1.33 (180deg=-1.36) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 146:sc= 1.24 (180deg=-0.21) 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 -10.829 -2.054 7.808 1.00 0.00 N ATOM 203 CA HIS A 16 -9.449 -1.965 7.345 1.00 0.00 C ATOM 204 C HIS A 16 -8.686 -3.248 7.659 1.00 0.00 C ATOM 205 O HIS A 16 -8.193 -3.924 6.757 1.00 0.00 O ATOM 206 CB HIS A 16 -8.748 -0.770 7.993 1.00 0.00 C ATOM 207 CG HIS A 16 -9.451 0.533 7.763 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.406 1.580 8.659 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.218 0.955 6.731 1.00 0.00 C ATOM 210 CE1 HIS A 16 -10.116 2.590 8.188 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.619 2.237 7.019 1.00 0.00 N ATOM 0 HA HIS A 16 -9.463 -1.827 6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.666 -0.945 9.066 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.733 -0.700 7.603 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.468 0.389 5.846 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.260 3.542 8.676 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.209 2.821 6.426 1.00 0.00 H new ATOM 219 N GLN A 17 -8.593 -3.576 8.944 1.00 0.00 N ATOM 220 CA GLN A 17 -7.889 -4.777 9.376 1.00 0.00 C ATOM 221 C GLN A 17 -8.001 -5.880 8.330 1.00 0.00 C ATOM 222 O GLN A 17 -7.028 -6.578 8.040 1.00 0.00 O ATOM 223 CB GLN A 17 -8.447 -5.268 10.713 1.00 0.00 C ATOM 224 CG GLN A 17 -7.998 -4.434 11.903 1.00 0.00 C ATOM 225 CD GLN A 17 -6.493 -4.267 11.963 1.00 0.00 C ATOM 226 OE1 GLN A 17 -5.745 -5.243 11.889 1.00 0.00 O ATOM 227 NE2 GLN A 17 -6.039 -3.027 12.099 1.00 0.00 N ATOM 0 H GLN A 17 -8.996 -3.027 9.703 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.836 -4.525 9.500 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.536 -5.263 10.667 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -8.139 -6.302 10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.467 -3.451 11.851 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.345 -4.904 12.823 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.694 -2.247 12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.035 -2.854 12.146 1.00 0.00 H new ATOM 236 N LEU A 18 -9.194 -6.034 7.765 1.00 0.00 N ATOM 237 CA LEU A 18 -9.434 -7.054 6.750 1.00 0.00 C ATOM 238 C LEU A 18 -8.753 -6.684 5.436 1.00 0.00 C ATOM 239 O LEU A 18 -7.967 -7.462 4.893 1.00 0.00 O ATOM 240 CB LEU A 18 -10.937 -7.234 6.526 1.00 0.00 C ATOM 241 CG LEU A 18 -11.389 -8.633 6.105 1.00 0.00 C ATOM 242 CD1 LEU A 18 -10.876 -8.964 4.712 1.00 0.00 C ATOM 243 CD2 LEU A 18 -10.915 -9.672 7.111 1.00 0.00 C ATOM 0 H LEU A 18 -10.010 -5.466 7.993 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.011 -7.993 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.456 -6.968 7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.258 -6.525 5.763 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.479 -8.650 6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.208 -9.963 4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.265 -8.238 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.787 -8.929 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.246 -10.661 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.827 -9.654 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.333 -9.446 8.092 1.00 0.00 H new ATOM 255 N ILE A 19 -9.058 -5.494 4.931 1.00 0.00 N ATOM 256 CA ILE A 19 -8.473 -5.021 3.683 1.00 0.00 C ATOM 257 C ILE A 19 -6.989 -5.362 3.608 1.00 0.00 C ATOM 258 O ILE A 19 -6.517 -5.912 2.611 1.00 0.00 O ATOM 259 CB ILE A 19 -8.647 -3.499 3.521 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.131 -3.140 3.426 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.898 -3.008 2.291 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.428 -1.699 3.775 1.00 0.00 C ATOM 0 H ILE A 19 -9.707 -4.839 5.367 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.001 -5.527 2.875 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.229 -3.005 4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.480 -3.339 2.413 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.697 -3.791 4.092 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.031 -1.931 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.837 -3.235 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.289 -3.506 1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.499 -1.516 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.110 -1.499 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.890 -1.041 3.093 1.00 0.00 H new ATOM 274 N LEU A 20 -6.258 -5.035 4.667 1.00 0.00 N ATOM 275 CA LEU A 20 -4.826 -5.309 4.723 1.00 0.00 C ATOM 276 C LEU A 20 -4.531 -6.751 4.323 1.00 0.00 C ATOM 277 O LEU A 20 -3.592 -7.019 3.573 1.00 0.00 O ATOM 278 CB LEU A 20 -4.289 -5.039 6.130 1.00 0.00 C ATOM 279 CG LEU A 20 -4.258 -3.573 6.566 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.287 -3.467 8.083 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.028 -2.876 6.004 1.00 0.00 C ATOM 0 H LEU A 20 -6.633 -4.580 5.499 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.327 -4.646 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.897 -5.597 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.277 -5.438 6.194 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.144 -3.077 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.264 -2.417 8.375 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.198 -3.930 8.463 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.419 -3.978 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.022 -1.834 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.129 -3.373 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.050 -2.921 4.915 1.00 0.00 H new ATOM 293 N SER A 21 -5.342 -7.677 4.826 1.00 0.00 N ATOM 294 CA SER A 21 -5.167 -9.093 4.522 1.00 0.00 C ATOM 295 C SER A 21 -5.420 -9.366 3.043 1.00 0.00 C ATOM 296 O SER A 21 -4.648 -10.067 2.388 1.00 0.00 O ATOM 297 CB SER A 21 -6.112 -9.939 5.377 1.00 0.00 C ATOM 298 OG SER A 21 -6.160 -11.277 4.912 1.00 0.00 O ATOM 0 H SER A 21 -6.126 -7.472 5.445 1.00 0.00 H new ATOM 0 HA SER A 21 -4.137 -9.365 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.781 -9.923 6.415 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.112 -9.507 5.355 1.00 0.00 H new ATOM 0 HG SER A 21 -6.769 -11.798 5.476 1.00 0.00 H new ATOM 304 N LYS A 22 -6.506 -8.807 2.521 1.00 0.00 N ATOM 305 CA LYS A 22 -6.863 -8.988 1.119 1.00 0.00 C ATOM 306 C LYS A 22 -5.668 -8.703 0.213 1.00 0.00 C ATOM 307 O LYS A 22 -5.464 -9.383 -0.793 1.00 0.00 O ATOM 308 CB LYS A 22 -8.029 -8.070 0.745 1.00 0.00 C ATOM 309 CG LYS A 22 -9.392 -8.716 0.923 1.00 0.00 C ATOM 310 CD LYS A 22 -10.487 -7.674 1.078 1.00 0.00 C ATOM 311 CE LYS A 22 -11.809 -8.310 1.480 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.606 -8.728 0.294 1.00 0.00 N ATOM 0 H LYS A 22 -7.155 -8.224 3.049 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.166 -10.026 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.981 -7.168 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.917 -7.758 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.610 -9.350 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.377 -9.363 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.191 -6.942 1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.612 -7.134 0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.618 -9.177 2.113 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.387 -7.602 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.499 -9.157 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.811 -7.897 -0.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.066 -9.423 -0.260 1.00 0.00 H new ATOM 326 N LEU A 23 -4.882 -7.697 0.578 1.00 0.00 N ATOM 327 CA LEU A 23 -3.706 -7.324 -0.201 1.00 0.00 C ATOM 328 C LEU A 23 -2.647 -8.421 -0.148 1.00 0.00 C ATOM 329 O LEU A 23 -2.247 -8.963 -1.179 1.00 0.00 O ATOM 330 CB LEU A 23 -3.121 -6.010 0.319 1.00 0.00 C ATOM 331 CG LEU A 23 -4.121 -4.875 0.549 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.423 -3.661 1.142 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.820 -4.508 -0.751 1.00 0.00 C ATOM 0 H LEU A 23 -5.037 -7.125 1.408 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.015 -7.192 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.607 -6.211 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.367 -5.666 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.874 -5.218 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.150 -2.864 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.970 -3.932 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.648 -3.316 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.527 -3.699 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.080 -4.184 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.354 -5.377 -1.135 1.00 0.00 H new ATOM 345 N LEU A 24 -2.198 -8.745 1.060 1.00 0.00 N ATOM 346 CA LEU A 24 -1.187 -9.779 1.248 1.00 0.00 C ATOM 347 C LEU A 24 -1.534 -11.032 0.450 1.00 0.00 C ATOM 348 O LEU A 24 -0.662 -11.658 -0.152 1.00 0.00 O ATOM 349 CB LEU A 24 -1.055 -10.126 2.732 1.00 0.00 C ATOM 350 CG LEU A 24 -0.356 -9.083 3.606 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.529 -9.419 5.079 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.120 -8.990 3.247 1.00 0.00 C ATOM 0 H LEU A 24 -2.518 -8.306 1.923 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.235 -9.392 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.053 -10.298 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.510 -11.066 2.818 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.816 -8.113 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.025 -8.666 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.590 -9.434 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.095 -10.398 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.602 -8.243 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.594 -9.959 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.223 -8.701 2.201 1.00 0.00 H new ATOM 364 N ARG A 25 -2.814 -11.391 0.450 1.00 0.00 N ATOM 365 CA ARG A 25 -3.277 -12.568 -0.275 1.00 0.00 C ATOM 366 C ARG A 25 -2.793 -12.541 -1.722 1.00 0.00 C ATOM 367 O ARG A 25 -2.357 -13.558 -2.260 1.00 0.00 O ATOM 368 CB ARG A 25 -4.804 -12.648 -0.238 1.00 0.00 C ATOM 369 CG ARG A 25 -5.350 -13.283 1.030 1.00 0.00 C ATOM 370 CD ARG A 25 -6.866 -13.397 0.988 1.00 0.00 C ATOM 371 NE ARG A 25 -7.452 -13.402 2.326 1.00 0.00 N ATOM 372 CZ ARG A 25 -8.753 -13.271 2.559 1.00 0.00 C ATOM 373 NH1 ARG A 25 -9.599 -13.125 1.549 1.00 0.00 N ATOM 374 NH2 ARG A 25 -9.210 -13.286 3.805 1.00 0.00 N ATOM 0 H ARG A 25 -3.548 -10.884 0.944 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.862 -13.450 0.212 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.214 -11.643 -0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.150 -13.220 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.913 -14.273 1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.053 -12.688 1.893 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.276 -12.565 0.416 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.146 -14.312 0.466 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.828 -13.512 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.251 -13.113 0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.598 -13.025 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.562 -13.398 4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.209 -13.185 3.983 1.00 0.00 H new ATOM 388 N GLU A 26 -2.874 -11.370 -2.346 1.00 0.00 N ATOM 389 CA GLU A 26 -2.445 -11.211 -3.731 1.00 0.00 C ATOM 390 C GLU A 26 -0.989 -11.633 -3.901 1.00 0.00 C ATOM 391 O GLU A 26 -0.142 -11.329 -3.061 1.00 0.00 O ATOM 392 CB GLU A 26 -2.624 -9.760 -4.180 1.00 0.00 C ATOM 393 CG GLU A 26 -4.077 -9.324 -4.268 1.00 0.00 C ATOM 394 CD GLU A 26 -4.764 -9.833 -5.520 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.035 -11.050 -5.594 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.031 -9.015 -6.425 1.00 0.00 O ATOM 0 H GLU A 26 -3.232 -10.518 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.066 -11.855 -4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.099 -9.106 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.155 -9.630 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.614 -9.685 -3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.128 -8.235 -4.247 1.00 0.00 H new ATOM 403 N GLU A 27 -0.706 -12.334 -4.994 1.00 0.00 N ATOM 404 CA GLU A 27 0.648 -12.798 -5.274 1.00 0.00 C ATOM 405 C GLU A 27 1.639 -11.638 -5.242 1.00 0.00 C ATOM 406 O GLU A 27 2.820 -11.824 -4.950 1.00 0.00 O ATOM 407 CB GLU A 27 0.702 -13.492 -6.637 1.00 0.00 C ATOM 408 CG GLU A 27 0.347 -12.580 -7.799 1.00 0.00 C ATOM 409 CD GLU A 27 0.695 -13.187 -9.144 1.00 0.00 C ATOM 410 OE1 GLU A 27 1.894 -13.213 -9.491 1.00 0.00 O ATOM 411 OE2 GLU A 27 -0.233 -13.636 -9.849 1.00 0.00 O ATOM 0 H GLU A 27 -1.395 -12.593 -5.700 1.00 0.00 H new ATOM 0 HA GLU A 27 0.927 -13.512 -4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.704 -13.891 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.018 -14.341 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.720 -12.359 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.872 -11.632 -7.686 1.00 0.00 H new ATOM 418 N ASP A 28 1.148 -10.441 -5.546 1.00 0.00 N ATOM 419 CA ASP A 28 1.989 -9.250 -5.552 1.00 0.00 C ATOM 420 C ASP A 28 2.474 -8.919 -4.144 1.00 0.00 C ATOM 421 O ASP A 28 3.572 -8.395 -3.962 1.00 0.00 O ATOM 422 CB ASP A 28 1.222 -8.061 -6.133 1.00 0.00 C ATOM 423 CG ASP A 28 0.463 -8.422 -7.395 1.00 0.00 C ATOM 424 OD1 ASP A 28 1.049 -8.310 -8.492 1.00 0.00 O ATOM 425 OD2 ASP A 28 -0.716 -8.818 -7.285 1.00 0.00 O ATOM 0 H ASP A 28 0.173 -10.270 -5.791 1.00 0.00 H new ATOM 0 HA ASP A 28 2.858 -9.453 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.522 -7.684 -5.387 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.921 -7.253 -6.351 1.00 0.00 H new ATOM 430 N ASN A 29 1.647 -9.229 -3.151 1.00 0.00 N ATOM 431 CA ASN A 29 1.991 -8.963 -1.759 1.00 0.00 C ATOM 432 C ASN A 29 2.075 -10.262 -0.962 1.00 0.00 C ATOM 433 O ASN A 29 1.776 -10.291 0.232 1.00 0.00 O ATOM 434 CB ASN A 29 0.958 -8.029 -1.126 1.00 0.00 C ATOM 435 CG ASN A 29 0.619 -6.852 -2.019 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.099 -6.757 -3.149 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.212 -5.947 -1.515 1.00 0.00 N ATOM 0 H ASN A 29 0.734 -9.664 -3.284 1.00 0.00 H new ATOM 0 HA ASN A 29 2.968 -8.480 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.049 -8.590 -0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.340 -7.661 -0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.476 -5.133 -2.069 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.586 -6.066 -0.574 1.00 0.00 H new ATOM 444 N LYS A 30 2.485 -11.334 -1.631 1.00 0.00 N ATOM 445 CA LYS A 30 2.611 -12.636 -0.986 1.00 0.00 C ATOM 446 C LYS A 30 4.009 -12.822 -0.404 1.00 0.00 C ATOM 447 O LYS A 30 4.239 -13.717 0.410 1.00 0.00 O ATOM 448 CB LYS A 30 2.311 -13.755 -1.987 1.00 0.00 C ATOM 449 CG LYS A 30 0.848 -14.159 -2.027 1.00 0.00 C ATOM 450 CD LYS A 30 0.663 -15.526 -2.664 1.00 0.00 C ATOM 451 CE LYS A 30 -0.778 -16.000 -2.559 1.00 0.00 C ATOM 452 NZ LYS A 30 -1.586 -15.581 -3.738 1.00 0.00 N ATOM 0 H LYS A 30 2.736 -11.327 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 30 1.888 -12.682 -0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.618 -13.433 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.913 -14.628 -1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.445 -14.171 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.280 -13.416 -2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.957 -15.483 -3.713 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.320 -16.247 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.798 -17.086 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.227 -15.600 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.326 -16.289 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.028 -14.659 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.969 -15.502 -4.571 1.00 0.00 H new ATOM 466 N TYR A 31 4.938 -11.971 -0.825 1.00 0.00 N ATOM 467 CA TYR A 31 6.313 -12.043 -0.346 1.00 0.00 C ATOM 468 C TYR A 31 6.870 -10.648 -0.078 1.00 0.00 C ATOM 469 O TYR A 31 6.417 -9.663 -0.662 1.00 0.00 O ATOM 470 CB TYR A 31 7.193 -12.768 -1.365 1.00 0.00 C ATOM 471 CG TYR A 31 6.756 -14.189 -1.640 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.513 -14.458 -2.199 1.00 0.00 C ATOM 473 CD2 TYR A 31 7.586 -15.262 -1.342 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.109 -15.755 -2.452 1.00 0.00 C ATOM 475 CE2 TYR A 31 7.191 -16.562 -1.593 1.00 0.00 C ATOM 476 CZ TYR A 31 5.952 -16.803 -2.147 1.00 0.00 C ATOM 477 OH TYR A 31 5.554 -18.096 -2.399 1.00 0.00 O ATOM 0 H TYR A 31 4.764 -11.224 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 31 6.316 -12.602 0.590 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.188 -12.208 -2.300 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.221 -12.776 -1.004 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.851 -13.639 -2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.557 -15.077 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.139 -15.947 -2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.849 -17.385 -1.356 1.00 0.00 H new ATOM 0 HH TYR A 31 6.263 -18.715 -2.128 1.00 0.00 H new ATOM 487 N CYS A 32 7.855 -10.572 0.811 1.00 0.00 N ATOM 488 CA CYS A 32 8.476 -9.299 1.158 1.00 0.00 C ATOM 489 C CYS A 32 8.793 -8.489 -0.095 1.00 0.00 C ATOM 490 O CYS A 32 8.889 -9.036 -1.193 1.00 0.00 O ATOM 491 CB CYS A 32 9.755 -9.535 1.964 1.00 0.00 C ATOM 492 SG CYS A 32 10.420 -8.037 2.759 1.00 0.00 S ATOM 0 H CYS A 32 8.240 -11.377 1.304 1.00 0.00 H new ATOM 0 HA CYS A 32 7.771 -8.733 1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.555 -10.283 2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.516 -9.951 1.304 1.00 0.00 H new ATOM 0 HG CYS A 32 11.230 -8.377 3.717 1.00 0.00 H new ATOM 497 N ALA A 33 8.956 -7.181 0.078 1.00 0.00 N ATOM 498 CA ALA A 33 9.265 -6.295 -1.038 1.00 0.00 C ATOM 499 C ALA A 33 10.770 -6.097 -1.181 1.00 0.00 C ATOM 500 O ALA A 33 11.224 -5.273 -1.974 1.00 0.00 O ATOM 501 CB ALA A 33 8.569 -4.955 -0.856 1.00 0.00 C ATOM 0 H ALA A 33 8.879 -6.712 0.980 1.00 0.00 H new ATOM 0 HA ALA A 33 8.898 -6.761 -1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.809 -4.303 -1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.491 -5.108 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.908 -4.492 0.070 1.00 0.00 H new ATOM 507 N ASP A 34 11.538 -6.857 -0.408 1.00 0.00 N ATOM 508 CA ASP A 34 12.993 -6.765 -0.449 1.00 0.00 C ATOM 509 C ASP A 34 13.622 -8.151 -0.552 1.00 0.00 C ATOM 510 O ASP A 34 14.210 -8.503 -1.576 1.00 0.00 O ATOM 511 CB ASP A 34 13.515 -6.046 0.795 1.00 0.00 C ATOM 512 CG ASP A 34 12.868 -4.689 0.993 1.00 0.00 C ATOM 513 OD1 ASP A 34 13.195 -3.758 0.227 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.035 -4.557 1.914 1.00 0.00 O ATOM 0 H ASP A 34 11.177 -7.544 0.255 1.00 0.00 H new ATOM 0 HA ASP A 34 13.272 -6.192 -1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.331 -6.665 1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.595 -5.922 0.713 1.00 0.00 H new ATOM 519 N CYS A 35 13.496 -8.933 0.514 1.00 0.00 N ATOM 520 CA CYS A 35 14.053 -10.280 0.546 1.00 0.00 C ATOM 521 C CYS A 35 13.069 -11.290 -0.038 1.00 0.00 C ATOM 522 O CYS A 35 13.359 -12.483 -0.110 1.00 0.00 O ATOM 523 CB CYS A 35 14.413 -10.673 1.980 1.00 0.00 C ATOM 524 SG CYS A 35 12.971 -10.926 3.065 1.00 0.00 S ATOM 0 H CYS A 35 13.012 -8.657 1.369 1.00 0.00 H new ATOM 0 HA CYS A 35 14.957 -10.286 -0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 35 15.003 -11.590 1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 35 15.046 -9.897 2.410 1.00 0.00 H new ATOM 0 HG CYS A 35 12.186 -9.892 2.992 1.00 0.00 H new ATOM 529 N GLU A 36 11.905 -10.801 -0.454 1.00 0.00 N ATOM 530 CA GLU A 36 10.878 -11.661 -1.031 1.00 0.00 C ATOM 531 C GLU A 36 10.655 -12.897 -0.165 1.00 0.00 C ATOM 532 O GLU A 36 10.518 -14.009 -0.675 1.00 0.00 O ATOM 533 CB GLU A 36 11.271 -12.081 -2.448 1.00 0.00 C ATOM 534 CG GLU A 36 10.082 -12.356 -3.353 1.00 0.00 C ATOM 535 CD GLU A 36 9.605 -11.116 -4.083 1.00 0.00 C ATOM 536 OE1 GLU A 36 9.981 -10.000 -3.667 1.00 0.00 O ATOM 537 OE2 GLU A 36 8.856 -11.261 -5.072 1.00 0.00 O ATOM 0 H GLU A 36 11.650 -9.815 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 36 9.947 -11.095 -1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.883 -11.297 -2.894 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.890 -12.976 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.354 -13.120 -4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.263 -12.760 -2.758 1.00 0.00 H new ATOM 544 N ALA A 37 10.619 -12.695 1.148 1.00 0.00 N ATOM 545 CA ALA A 37 10.411 -13.792 2.085 1.00 0.00 C ATOM 546 C ALA A 37 9.044 -14.435 1.882 1.00 0.00 C ATOM 547 O ALA A 37 8.279 -14.031 1.006 1.00 0.00 O ATOM 548 CB ALA A 37 10.558 -13.298 3.517 1.00 0.00 C ATOM 0 H ALA A 37 10.731 -11.781 1.587 1.00 0.00 H new ATOM 0 HA ALA A 37 11.171 -14.550 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.400 -14.128 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.559 -12.892 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.820 -12.520 3.711 1.00 0.00 H new ATOM 554 N LYS A 38 8.741 -15.439 2.698 1.00 0.00 N ATOM 555 CA LYS A 38 7.465 -16.139 2.610 1.00 0.00 C ATOM 556 C LYS A 38 6.591 -15.832 3.822 1.00 0.00 C ATOM 557 O LYS A 38 6.800 -16.378 4.904 1.00 0.00 O ATOM 558 CB LYS A 38 7.694 -17.648 2.501 1.00 0.00 C ATOM 559 CG LYS A 38 7.854 -18.138 1.073 1.00 0.00 C ATOM 560 CD LYS A 38 8.114 -19.634 1.022 1.00 0.00 C ATOM 561 CE LYS A 38 9.505 -19.975 1.535 1.00 0.00 C ATOM 562 NZ LYS A 38 9.755 -21.444 1.527 1.00 0.00 N ATOM 0 H LYS A 38 9.362 -15.786 3.428 1.00 0.00 H new ATOM 0 HA LYS A 38 6.949 -15.791 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.586 -17.913 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.855 -18.168 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.954 -17.905 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.678 -17.608 0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.366 -20.155 1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.006 -19.989 -0.003 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.252 -19.476 0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.622 -19.592 2.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.713 -21.635 1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.058 -21.918 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.669 -21.806 0.556 1.00 0.00 H new ATOM 576 N GLY A 39 5.609 -14.956 3.631 1.00 0.00 N ATOM 577 CA GLY A 39 4.717 -14.593 4.717 1.00 0.00 C ATOM 578 C GLY A 39 5.105 -13.283 5.373 1.00 0.00 C ATOM 579 O GLY A 39 5.386 -13.222 6.570 1.00 0.00 O ATOM 0 H GLY A 39 5.415 -14.491 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.698 -14.517 4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.720 -15.385 5.466 1.00 0.00 H new ATOM 583 N PRO A 40 5.125 -12.202 4.578 1.00 0.00 N ATOM 584 CA PRO A 40 5.481 -10.867 5.067 1.00 0.00 C ATOM 585 C PRO A 40 4.419 -10.286 5.994 1.00 0.00 C ATOM 586 O PRO A 40 3.525 -9.564 5.553 1.00 0.00 O ATOM 587 CB PRO A 40 5.585 -10.036 3.785 1.00 0.00 C ATOM 588 CG PRO A 40 4.707 -10.738 2.807 1.00 0.00 C ATOM 589 CD PRO A 40 4.802 -12.201 3.142 1.00 0.00 C ATOM 0 HA PRO A 40 6.397 -10.881 5.658 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.254 -9.011 3.950 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.614 -9.985 3.428 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.678 -10.386 2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.033 -10.550 1.784 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.865 -12.721 2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.575 -12.698 2.556 1.00 0.00 H new ATOM 597 N ARG A 41 4.523 -10.606 7.279 1.00 0.00 N ATOM 598 CA ARG A 41 3.570 -10.117 8.268 1.00 0.00 C ATOM 599 C ARG A 41 3.618 -8.594 8.362 1.00 0.00 C ATOM 600 O ARG A 41 2.732 -7.904 7.858 1.00 0.00 O ATOM 601 CB ARG A 41 3.862 -10.732 9.638 1.00 0.00 C ATOM 602 CG ARG A 41 3.113 -10.063 10.778 1.00 0.00 C ATOM 603 CD ARG A 41 1.607 -10.178 10.599 1.00 0.00 C ATOM 604 NE ARG A 41 1.092 -11.451 11.095 1.00 0.00 N ATOM 605 CZ ARG A 41 0.771 -11.668 12.366 1.00 0.00 C ATOM 606 NH1 ARG A 41 0.910 -10.702 13.263 1.00 0.00 N ATOM 607 NH2 ARG A 41 0.308 -12.854 12.741 1.00 0.00 N ATOM 0 H ARG A 41 5.258 -11.202 7.660 1.00 0.00 H new ATOM 0 HA ARG A 41 2.571 -10.414 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.601 -11.790 9.615 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.933 -10.672 9.833 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.404 -10.520 11.724 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.395 -9.011 10.832 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.116 -9.359 11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.359 -10.073 9.543 1.00 0.00 H new ATOM 0 HE ARG A 41 0.972 -12.215 10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.264 -9.789 12.978 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.663 -10.872 14.238 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.198 -13.599 12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.062 -13.020 13.717 1.00 0.00 H new ATOM 621 N TRP A 42 4.656 -8.079 9.009 1.00 0.00 N ATOM 622 CA TRP A 42 4.819 -6.639 9.169 1.00 0.00 C ATOM 623 C TRP A 42 4.600 -5.916 7.845 1.00 0.00 C ATOM 624 O TRP A 42 4.635 -6.530 6.779 1.00 0.00 O ATOM 625 CB TRP A 42 6.211 -6.319 9.715 1.00 0.00 C ATOM 626 CG TRP A 42 6.490 -6.958 11.043 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.838 -8.258 11.270 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.441 -6.323 12.325 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.009 -8.471 12.616 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.772 -7.300 13.286 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.152 -5.026 12.756 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.820 -7.017 14.648 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.200 -4.747 14.109 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.532 -5.738 15.042 1.00 0.00 C ATOM 0 H TRP A 42 5.398 -8.637 9.432 1.00 0.00 H new ATOM 0 HA TRP A 42 4.070 -6.291 9.880 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.960 -6.650 8.996 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.316 -5.238 9.811 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.961 -9.009 10.504 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.270 -9.358 13.047 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.896 -4.255 12.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.075 -7.780 15.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.978 -3.748 14.453 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.561 -5.488 16.092 1.00 0.00 H new ATOM 645 N ALA A 43 4.375 -4.608 7.920 1.00 0.00 N ATOM 646 CA ALA A 43 4.154 -3.802 6.726 1.00 0.00 C ATOM 647 C ALA A 43 4.465 -2.333 6.990 1.00 0.00 C ATOM 648 O ALA A 43 4.088 -1.785 8.025 1.00 0.00 O ATOM 649 CB ALA A 43 2.721 -3.960 6.240 1.00 0.00 C ATOM 0 H ALA A 43 4.341 -4.085 8.795 1.00 0.00 H new ATOM 0 HA ALA A 43 4.831 -4.156 5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.570 -3.352 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.531 -5.007 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.034 -3.634 7.021 1.00 0.00 H new ATOM 655 N SER A 44 5.157 -1.700 6.047 1.00 0.00 N ATOM 656 CA SER A 44 5.524 -0.295 6.180 1.00 0.00 C ATOM 657 C SER A 44 4.533 0.597 5.440 1.00 0.00 C ATOM 658 O SER A 44 4.553 0.680 4.211 1.00 0.00 O ATOM 659 CB SER A 44 6.937 -0.062 5.644 1.00 0.00 C ATOM 660 OG SER A 44 7.588 0.976 6.356 1.00 0.00 O ATOM 0 H SER A 44 5.475 -2.138 5.183 1.00 0.00 H new ATOM 0 HA SER A 44 5.498 -0.037 7.239 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.516 -0.982 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.890 0.193 4.585 1.00 0.00 H new ATOM 0 HG SER A 44 7.032 1.250 7.115 1.00 0.00 H new ATOM 666 N TRP A 45 3.667 1.263 6.195 1.00 0.00 N ATOM 667 CA TRP A 45 2.667 2.150 5.611 1.00 0.00 C ATOM 668 C TRP A 45 3.322 3.390 5.013 1.00 0.00 C ATOM 669 O TRP A 45 3.038 3.766 3.877 1.00 0.00 O ATOM 670 CB TRP A 45 1.640 2.560 6.667 1.00 0.00 C ATOM 671 CG TRP A 45 2.200 3.468 7.720 1.00 0.00 C ATOM 672 CD1 TRP A 45 2.907 3.100 8.828 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.097 4.896 7.762 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.251 4.213 9.558 1.00 0.00 N ATOM 675 CE2 TRP A 45 2.767 5.327 8.925 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.507 5.852 6.931 1.00 0.00 C ATOM 677 CZ2 TRP A 45 2.859 6.671 9.275 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.600 7.186 7.280 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.272 7.586 8.443 1.00 0.00 C ATOM 0 H TRP A 45 3.637 1.206 7.213 1.00 0.00 H new ATOM 0 HA TRP A 45 2.160 1.609 4.812 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.804 3.057 6.176 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.243 1.664 7.144 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.159 2.084 9.092 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.781 4.210 10.430 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.988 5.554 6.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.375 6.981 10.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.147 7.933 6.645 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.328 8.636 8.688 1.00 0.00 H new ATOM 690 N ASN A 46 4.200 4.021 5.786 1.00 0.00 N ATOM 691 CA ASN A 46 4.896 5.220 5.331 1.00 0.00 C ATOM 692 C ASN A 46 5.280 5.100 3.860 1.00 0.00 C ATOM 693 O ASN A 46 5.230 6.079 3.114 1.00 0.00 O ATOM 694 CB ASN A 46 6.147 5.461 6.179 1.00 0.00 C ATOM 695 CG ASN A 46 6.893 6.714 5.763 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.704 6.600 4.718 1.00 0.00 O flip ATOM 697 ND2 ASN A 46 6.743 7.771 6.376 1.00 0.00 N flip ATOM 0 H ASN A 46 4.446 3.723 6.730 1.00 0.00 H new ATOM 0 HA ASN A 46 4.220 6.068 5.444 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.862 5.542 7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.811 4.601 6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.109 7.812 7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.253 8.605 6.086 1.00 0.00 H new ATOM 704 N ILE A 47 5.662 3.896 3.449 1.00 0.00 N ATOM 705 CA ILE A 47 6.053 3.649 2.067 1.00 0.00 C ATOM 706 C ILE A 47 4.911 3.019 1.277 1.00 0.00 C ATOM 707 O ILE A 47 4.644 3.403 0.139 1.00 0.00 O ATOM 708 CB ILE A 47 7.286 2.729 1.986 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.539 3.479 2.442 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.462 2.203 0.570 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.710 2.571 2.744 1.00 0.00 C ATOM 0 H ILE A 47 5.709 3.076 4.054 1.00 0.00 H new ATOM 0 HA ILE A 47 6.303 4.617 1.632 1.00 0.00 H new ATOM 0 HB ILE A 47 7.132 1.879 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.830 4.188 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.301 4.060 3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.337 1.555 0.529 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.577 1.637 0.280 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.598 3.040 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.563 3.171 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.437 1.878 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.975 2.009 1.849 1.00 0.00 H new ATOM 723 N GLY A 48 4.238 2.050 1.890 1.00 0.00 N ATOM 724 CA GLY A 48 3.130 1.384 1.230 1.00 0.00 C ATOM 725 C GLY A 48 3.515 0.024 0.683 1.00 0.00 C ATOM 726 O GLY A 48 3.172 -0.318 -0.449 1.00 0.00 O ATOM 0 H GLY A 48 4.440 1.714 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.307 1.269 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.767 2.010 0.415 1.00 0.00 H new ATOM 730 N VAL A 49 4.232 -0.755 1.487 1.00 0.00 N ATOM 731 CA VAL A 49 4.664 -2.086 1.077 1.00 0.00 C ATOM 732 C VAL A 49 4.745 -3.030 2.272 1.00 0.00 C ATOM 733 O VAL A 49 4.948 -2.597 3.406 1.00 0.00 O ATOM 734 CB VAL A 49 6.037 -2.039 0.380 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.954 -1.236 -0.909 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.089 -1.459 1.313 1.00 0.00 C ATOM 0 H VAL A 49 4.526 -0.487 2.426 1.00 0.00 H new ATOM 0 HA VAL A 49 3.919 -2.459 0.374 1.00 0.00 H new ATOM 0 HB VAL A 49 6.332 -3.057 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.933 -1.214 -1.387 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.232 -1.700 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.637 -0.218 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.052 -1.433 0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.803 -0.447 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.166 -2.080 2.205 1.00 0.00 H new ATOM 746 N PHE A 50 4.585 -4.323 2.009 1.00 0.00 N ATOM 747 CA PHE A 50 4.639 -5.329 3.062 1.00 0.00 C ATOM 748 C PHE A 50 6.035 -5.936 3.163 1.00 0.00 C ATOM 749 O PHE A 50 6.584 -6.424 2.175 1.00 0.00 O ATOM 750 CB PHE A 50 3.610 -6.430 2.798 1.00 0.00 C ATOM 751 CG PHE A 50 2.189 -5.944 2.833 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.483 -5.912 4.025 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.560 -5.519 1.674 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.176 -5.464 4.060 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.253 -5.070 1.704 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.440 -5.044 2.898 1.00 0.00 C ATOM 0 H PHE A 50 4.417 -4.698 1.075 1.00 0.00 H new ATOM 0 HA PHE A 50 4.405 -4.841 4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.809 -6.876 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.734 -7.218 3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.959 -6.241 4.937 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.097 -5.539 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.363 -5.442 4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.226 -4.740 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.462 -4.696 2.923 1.00 0.00 H new ATOM 766 N ILE A 51 6.604 -5.902 4.364 1.00 0.00 N ATOM 767 CA ILE A 51 7.935 -6.448 4.594 1.00 0.00 C ATOM 768 C ILE A 51 7.925 -7.454 5.741 1.00 0.00 C ATOM 769 O ILE A 51 7.020 -7.452 6.575 1.00 0.00 O ATOM 770 CB ILE A 51 8.953 -5.337 4.910 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.389 -4.383 5.965 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.318 -4.578 3.643 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.353 -3.288 6.366 1.00 0.00 C ATOM 0 H ILE A 51 6.163 -5.502 5.192 1.00 0.00 H new ATOM 0 HA ILE A 51 8.233 -6.951 3.674 1.00 0.00 H new ATOM 0 HB ILE A 51 9.858 -5.796 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.475 -3.929 5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.113 -4.955 6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.038 -3.796 3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.756 -5.266 2.920 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.421 -4.128 3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.887 -2.650 7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.258 -3.733 6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.610 -2.691 5.491 1.00 0.00 H new ATOM 785 N CYS A 52 8.940 -8.311 5.777 1.00 0.00 N ATOM 786 CA CYS A 52 9.051 -9.322 6.821 1.00 0.00 C ATOM 787 C CYS A 52 9.514 -8.699 8.135 1.00 0.00 C ATOM 788 O CYS A 52 9.669 -7.481 8.235 1.00 0.00 O ATOM 789 CB CYS A 52 10.024 -10.422 6.394 1.00 0.00 C ATOM 790 SG CYS A 52 11.724 -9.837 6.099 1.00 0.00 S ATOM 0 H CYS A 52 9.698 -8.325 5.094 1.00 0.00 H new ATOM 0 HA CYS A 52 8.064 -9.759 6.975 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.045 -11.193 7.164 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.649 -10.891 5.484 1.00 0.00 H new ATOM 0 HG CYS A 52 12.064 -10.093 4.871 1.00 0.00 H new ATOM 795 N ILE A 53 9.734 -9.542 9.138 1.00 0.00 N ATOM 796 CA ILE A 53 10.181 -9.074 10.444 1.00 0.00 C ATOM 797 C ILE A 53 11.642 -8.638 10.401 1.00 0.00 C ATOM 798 O ILE A 53 11.994 -7.562 10.885 1.00 0.00 O ATOM 799 CB ILE A 53 10.013 -10.163 11.520 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.397 -9.614 12.896 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.855 -11.382 11.176 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.640 -10.258 14.036 1.00 0.00 C ATOM 0 H ILE A 53 9.610 -10.552 9.071 1.00 0.00 H new ATOM 0 HA ILE A 53 9.557 -8.219 10.704 1.00 0.00 H new ATOM 0 HB ILE A 53 8.966 -10.466 11.549 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.466 -9.761 13.051 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.217 -8.539 12.912 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.726 -12.143 11.946 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.539 -11.783 10.213 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.905 -11.095 11.122 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.963 -9.820 14.981 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.571 -10.089 13.905 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.839 -11.330 14.046 1.00 0.00 H new ATOM 814 N ARG A 54 12.488 -9.481 9.818 1.00 0.00 N ATOM 815 CA ARG A 54 13.912 -9.183 9.711 1.00 0.00 C ATOM 816 C ARG A 54 14.134 -7.800 9.106 1.00 0.00 C ATOM 817 O ARG A 54 14.764 -6.937 9.718 1.00 0.00 O ATOM 818 CB ARG A 54 14.614 -10.243 8.859 1.00 0.00 C ATOM 819 CG ARG A 54 16.106 -10.004 8.699 1.00 0.00 C ATOM 820 CD ARG A 54 16.406 -9.158 7.471 1.00 0.00 C ATOM 821 NE ARG A 54 16.184 -9.895 6.230 1.00 0.00 N ATOM 822 CZ ARG A 54 17.072 -10.730 5.703 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.236 -10.933 6.306 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.797 -11.365 4.571 1.00 0.00 N ATOM 0 H ARG A 54 12.213 -10.376 9.413 1.00 0.00 H new ATOM 0 HA ARG A 54 14.336 -9.194 10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.458 -11.222 9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.151 -10.270 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.493 -9.507 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.622 -10.961 8.618 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.777 -8.268 7.481 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.441 -8.817 7.510 1.00 0.00 H new ATOM 0 HE ARG A 54 15.299 -9.761 5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.451 -10.447 7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.916 -11.575 5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.903 -11.212 4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.480 -12.006 4.167 1.00 0.00 H new ATOM 838 N CYS A 55 13.612 -7.596 7.902 1.00 0.00 N ATOM 839 CA CYS A 55 13.753 -6.319 7.213 1.00 0.00 C ATOM 840 C CYS A 55 13.167 -5.183 8.047 1.00 0.00 C ATOM 841 O CYS A 55 13.802 -4.146 8.234 1.00 0.00 O ATOM 842 CB CYS A 55 13.063 -6.372 5.848 1.00 0.00 C ATOM 843 SG CYS A 55 13.906 -7.432 4.630 1.00 0.00 S ATOM 0 H CYS A 55 13.087 -8.299 7.382 1.00 0.00 H new ATOM 0 HA CYS A 55 14.816 -6.129 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.043 -6.731 5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.995 -5.360 5.448 1.00 0.00 H new ATOM 0 HG CYS A 55 13.443 -8.644 4.715 1.00 0.00 H new ATOM 848 N ALA A 56 11.953 -5.388 8.546 1.00 0.00 N ATOM 849 CA ALA A 56 11.282 -4.383 9.362 1.00 0.00 C ATOM 850 C ALA A 56 12.270 -3.678 10.285 1.00 0.00 C ATOM 851 O ALA A 56 12.262 -2.453 10.399 1.00 0.00 O ATOM 852 CB ALA A 56 10.164 -5.022 10.171 1.00 0.00 C ATOM 0 H ALA A 56 11.413 -6.241 8.400 1.00 0.00 H new ATOM 0 HA ALA A 56 10.851 -3.636 8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.671 -4.261 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.438 -5.474 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.580 -5.790 10.823 1.00 0.00 H new ATOM 858 N GLY A 57 13.120 -4.460 10.944 1.00 0.00 N ATOM 859 CA GLY A 57 14.101 -3.891 11.849 1.00 0.00 C ATOM 860 C GLY A 57 14.962 -2.836 11.184 1.00 0.00 C ATOM 861 O GLY A 57 15.225 -1.783 11.765 1.00 0.00 O ATOM 0 H GLY A 57 13.146 -5.477 10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.589 -3.451 12.705 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.739 -4.686 12.234 1.00 0.00 H new ATOM 865 N ILE A 58 15.404 -3.120 9.963 1.00 0.00 N ATOM 866 CA ILE A 58 16.241 -2.187 9.218 1.00 0.00 C ATOM 867 C ILE A 58 15.509 -0.873 8.965 1.00 0.00 C ATOM 868 O ILE A 58 16.059 0.208 9.177 1.00 0.00 O ATOM 869 CB ILE A 58 16.685 -2.783 7.869 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.302 -4.167 8.077 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.674 -1.854 7.181 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.108 -5.098 6.900 1.00 0.00 C ATOM 0 H ILE A 58 15.197 -3.988 9.469 1.00 0.00 H new ATOM 0 HA ILE A 58 17.123 -1.997 9.829 1.00 0.00 H new ATOM 0 HB ILE A 58 15.809 -2.889 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.369 -4.055 8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 58 16.864 -4.621 8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.979 -2.288 6.229 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.203 -0.887 7.005 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.550 -1.720 7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.571 -6.061 7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.042 -5.240 6.720 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.571 -4.665 6.013 1.00 0.00 H new ATOM 884 N HIS A 59 14.264 -0.974 8.511 1.00 0.00 N ATOM 885 CA HIS A 59 13.454 0.206 8.231 1.00 0.00 C ATOM 886 C HIS A 59 13.489 1.180 9.405 1.00 0.00 C ATOM 887 O HIS A 59 13.721 2.375 9.226 1.00 0.00 O ATOM 888 CB HIS A 59 12.011 -0.198 7.931 1.00 0.00 C ATOM 889 CG HIS A 59 11.767 -0.524 6.490 1.00 0.00 C ATOM 890 ND1 HIS A 59 11.061 0.302 5.641 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.141 -1.593 5.748 1.00 0.00 C ATOM 892 CE1 HIS A 59 11.010 -0.246 4.439 1.00 0.00 C ATOM 893 NE2 HIS A 59 11.658 -1.396 4.478 1.00 0.00 N ATOM 0 H HIS A 59 13.794 -1.861 8.329 1.00 0.00 H new ATOM 0 HA HIS A 59 13.872 0.704 7.356 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.751 -1.064 8.540 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.346 0.613 8.229 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.713 -2.442 6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.522 0.175 3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.780 -2.034 3.692 1.00 0.00 H new ATOM 901 N ARG A 60 13.255 0.660 10.606 1.00 0.00 N ATOM 902 CA ARG A 60 13.257 1.484 11.809 1.00 0.00 C ATOM 903 C ARG A 60 14.529 2.323 11.890 1.00 0.00 C ATOM 904 O ARG A 60 14.483 3.507 12.221 1.00 0.00 O ATOM 905 CB ARG A 60 13.132 0.605 13.054 1.00 0.00 C ATOM 906 CG ARG A 60 12.193 -0.576 12.875 1.00 0.00 C ATOM 907 CD ARG A 60 11.862 -1.233 14.206 1.00 0.00 C ATOM 908 NE ARG A 60 11.286 -0.284 15.156 1.00 0.00 N ATOM 909 CZ ARG A 60 9.992 0.010 15.207 1.00 0.00 C ATOM 910 NH1 ARG A 60 9.143 -0.568 14.368 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.544 0.884 16.100 1.00 0.00 N ATOM 0 H ARG A 60 13.062 -0.328 10.772 1.00 0.00 H new ATOM 0 HA ARG A 60 12.401 2.157 11.761 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.120 0.234 13.327 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.780 1.216 13.885 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.273 -0.241 12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.651 -1.309 12.211 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.162 -2.052 14.042 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.767 -1.668 14.631 1.00 0.00 H new ATOM 0 HE ARG A 60 11.912 0.178 15.816 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.483 -1.241 13.681 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.150 -0.340 14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.194 1.330 16.747 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.550 1.109 16.139 1.00 0.00 H new ATOM 925 N ASN A 61 15.663 1.700 11.587 1.00 0.00 N ATOM 926 CA ASN A 61 16.948 2.389 11.627 1.00 0.00 C ATOM 927 C ASN A 61 16.923 3.638 10.751 1.00 0.00 C ATOM 928 O ASN A 61 17.360 4.711 11.169 1.00 0.00 O ATOM 929 CB ASN A 61 18.067 1.452 11.168 1.00 0.00 C ATOM 930 CG ASN A 61 18.145 0.190 12.006 1.00 0.00 C ATOM 931 OD1 ASN A 61 17.499 0.083 13.048 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.939 -0.772 11.552 1.00 0.00 N ATOM 0 H ASN A 61 15.718 0.720 11.311 1.00 0.00 H new ATOM 0 HA ASN A 61 17.138 2.693 12.656 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.906 1.182 10.124 1.00 0.00 H new ATOM 0 HB3 ASN A 61 19.021 1.978 11.218 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.032 -1.644 12.072 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.456 -0.639 10.683 1.00 0.00 H new ATOM 939 N LEU A 62 16.409 3.491 9.535 1.00 0.00 N ATOM 940 CA LEU A 62 16.326 4.607 8.599 1.00 0.00 C ATOM 941 C LEU A 62 15.856 5.875 9.305 1.00 0.00 C ATOM 942 O LEU A 62 16.488 6.925 9.201 1.00 0.00 O ATOM 943 CB LEU A 62 15.374 4.265 7.452 1.00 0.00 C ATOM 944 CG LEU A 62 15.630 2.936 6.740 1.00 0.00 C ATOM 945 CD1 LEU A 62 14.781 2.832 5.483 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.107 2.788 6.401 1.00 0.00 C ATOM 0 H LEU A 62 16.043 2.610 9.174 1.00 0.00 H new ATOM 0 HA LEU A 62 17.322 4.786 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.356 4.255 7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.425 5.065 6.714 1.00 0.00 H new ATOM 0 HG LEU A 62 15.349 2.126 7.413 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.977 1.880 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.726 2.892 5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.031 3.649 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.271 1.837 5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.414 3.604 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.695 2.817 7.318 1.00 0.00 H new ATOM 958 N GLY A 63 14.744 5.768 10.025 1.00 0.00 N ATOM 959 CA GLY A 63 14.209 6.913 10.739 1.00 0.00 C ATOM 960 C GLY A 63 12.718 7.085 10.527 1.00 0.00 C ATOM 961 O GLY A 63 12.190 6.739 9.469 1.00 0.00 O ATOM 0 H GLY A 63 14.204 4.909 10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.410 6.799 11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.726 7.815 10.411 1.00 0.00 H new ATOM 965 N VAL A 64 12.036 7.618 11.535 1.00 0.00 N ATOM 966 CA VAL A 64 10.596 7.834 11.454 1.00 0.00 C ATOM 967 C VAL A 64 10.250 8.827 10.350 1.00 0.00 C ATOM 968 O VAL A 64 9.080 9.019 10.017 1.00 0.00 O ATOM 969 CB VAL A 64 10.031 8.352 12.790 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.104 7.270 13.857 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.776 9.601 13.235 1.00 0.00 C ATOM 0 H VAL A 64 12.457 7.908 12.417 1.00 0.00 H new ATOM 0 HA VAL A 64 10.144 6.869 11.225 1.00 0.00 H new ATOM 0 HB VAL A 64 8.983 8.614 12.643 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.700 7.655 14.794 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.522 6.405 13.539 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.143 6.974 14.004 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.364 9.953 14.181 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.833 9.368 13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.666 10.379 12.479 1.00 0.00 H new ATOM 981 N HIS A 65 11.276 9.455 9.784 1.00 0.00 N ATOM 982 CA HIS A 65 11.081 10.428 8.715 1.00 0.00 C ATOM 983 C HIS A 65 11.223 9.768 7.347 1.00 0.00 C ATOM 984 O HIS A 65 10.652 10.233 6.360 1.00 0.00 O ATOM 985 CB HIS A 65 12.085 11.573 8.849 1.00 0.00 C ATOM 986 CG HIS A 65 13.482 11.114 9.134 1.00 0.00 C ATOM 987 ND1 HIS A 65 13.927 10.795 10.400 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.536 10.919 8.306 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.194 10.426 10.339 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.587 10.491 9.080 1.00 0.00 N ATOM 0 H HIS A 65 12.250 9.308 10.048 1.00 0.00 H new ATOM 0 HA HIS A 65 10.071 10.829 8.802 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.084 12.156 7.928 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.760 12.239 9.648 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.548 11.072 7.237 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.805 10.123 11.177 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.520 10.261 8.738 1.00 0.00 H new ATOM 998 N ILE A 66 11.989 8.683 7.296 1.00 0.00 N ATOM 999 CA ILE A 66 12.206 7.960 6.049 1.00 0.00 C ATOM 1000 C ILE A 66 11.189 6.836 5.882 1.00 0.00 C ATOM 1001 O ILE A 66 10.570 6.697 4.827 1.00 0.00 O ATOM 1002 CB ILE A 66 13.626 7.367 5.982 1.00 0.00 C ATOM 1003 CG1 ILE A 66 14.654 8.475 5.744 1.00 0.00 C ATOM 1004 CG2 ILE A 66 13.709 6.316 4.885 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.006 8.187 6.357 1.00 0.00 C ATOM 0 H ILE A 66 12.469 8.286 8.103 1.00 0.00 H new ATOM 0 HA ILE A 66 12.084 8.681 5.240 1.00 0.00 H new ATOM 0 HB ILE A 66 13.850 6.888 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.775 8.623 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.270 9.409 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.718 5.906 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.999 5.516 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.469 6.773 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 66 16.684 9.015 6.148 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.899 8.069 7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.411 7.270 5.930 1.00 0.00 H new ATOM 1017 N SER A 67 11.021 6.036 6.930 1.00 0.00 N ATOM 1018 CA SER A 67 10.081 4.922 6.899 1.00 0.00 C ATOM 1019 C SER A 67 9.636 4.547 8.310 1.00 0.00 C ATOM 1020 O SER A 67 10.463 4.342 9.199 1.00 0.00 O ATOM 1021 CB SER A 67 10.715 3.711 6.213 1.00 0.00 C ATOM 1022 OG SER A 67 11.605 3.038 7.086 1.00 0.00 O ATOM 0 H SER A 67 11.524 6.139 7.811 1.00 0.00 H new ATOM 0 HA SER A 67 9.204 5.234 6.331 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.934 3.025 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.251 4.034 5.321 1.00 0.00 H new ATOM 0 HG SER A 67 11.761 2.128 6.757 1.00 0.00 H new ATOM 1028 N ARG A 68 8.325 4.459 8.507 1.00 0.00 N ATOM 1029 CA ARG A 68 7.769 4.110 9.809 1.00 0.00 C ATOM 1030 C ARG A 68 7.323 2.651 9.836 1.00 0.00 C ATOM 1031 O ARG A 68 6.466 2.239 9.054 1.00 0.00 O ATOM 1032 CB ARG A 68 6.588 5.023 10.144 1.00 0.00 C ATOM 1033 CG ARG A 68 6.995 6.452 10.463 1.00 0.00 C ATOM 1034 CD ARG A 68 6.039 7.095 11.456 1.00 0.00 C ATOM 1035 NE ARG A 68 6.057 8.552 11.369 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.253 9.341 12.074 1.00 0.00 C ATOM 1037 NH1 ARG A 68 4.373 8.814 12.914 1.00 0.00 N ATOM 1038 NH2 ARG A 68 5.329 10.659 11.939 1.00 0.00 N ATOM 0 H ARG A 68 7.628 4.625 7.781 1.00 0.00 H new ATOM 0 HA ARG A 68 8.549 4.247 10.558 1.00 0.00 H new ATOM 0 HB2 ARG A 68 5.895 5.031 9.302 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.050 4.609 10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.006 6.461 10.871 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.017 7.039 9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.027 6.733 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.307 6.789 12.467 1.00 0.00 H new ATOM 0 HE ARG A 68 6.723 8.989 10.732 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.312 7.801 13.020 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.757 9.421 13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.005 11.067 11.294 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.711 11.264 12.481 1.00 0.00 H new ATOM 1052 N VAL A 69 7.909 1.875 10.741 1.00 0.00 N ATOM 1053 CA VAL A 69 7.572 0.462 10.870 1.00 0.00 C ATOM 1054 C VAL A 69 6.535 0.243 11.966 1.00 0.00 C ATOM 1055 O VAL A 69 6.647 0.793 13.062 1.00 0.00 O ATOM 1056 CB VAL A 69 8.819 -0.387 11.182 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.447 -1.856 11.307 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.881 -0.186 10.112 1.00 0.00 C ATOM 0 H VAL A 69 8.620 2.201 11.396 1.00 0.00 H new ATOM 0 HA VAL A 69 7.158 0.147 9.912 1.00 0.00 H new ATOM 0 HB VAL A 69 9.231 -0.059 12.136 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.340 -2.440 11.527 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.724 -1.981 12.113 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.010 -2.202 10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.755 -0.793 10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.482 -0.486 9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.168 0.865 10.077 1.00 0.00 H new ATOM 1068 N LYS A 70 5.524 -0.564 11.663 1.00 0.00 N ATOM 1069 CA LYS A 70 4.465 -0.858 12.622 1.00 0.00 C ATOM 1070 C LYS A 70 3.758 -2.163 12.268 1.00 0.00 C ATOM 1071 O LYS A 70 3.716 -2.561 11.104 1.00 0.00 O ATOM 1072 CB LYS A 70 3.453 0.288 12.663 1.00 0.00 C ATOM 1073 CG LYS A 70 2.981 0.733 11.290 1.00 0.00 C ATOM 1074 CD LYS A 70 1.524 1.164 11.313 1.00 0.00 C ATOM 1075 CE LYS A 70 1.354 2.515 11.991 1.00 0.00 C ATOM 1076 NZ LYS A 70 0.157 3.243 11.485 1.00 0.00 N ATOM 0 H LYS A 70 5.415 -1.027 10.760 1.00 0.00 H new ATOM 0 HA LYS A 70 4.920 -0.967 13.606 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.590 -0.022 13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.901 1.138 13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.600 1.560 10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.109 -0.083 10.578 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.143 1.217 10.293 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.930 0.415 11.837 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.264 2.372 13.068 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.245 3.120 11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.076 4.159 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.254 3.402 10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.696 2.677 11.668 1.00 0.00 H new ATOM 1090 N SER A 71 3.203 -2.823 13.279 1.00 0.00 N ATOM 1091 CA SER A 71 2.499 -4.084 13.075 1.00 0.00 C ATOM 1092 C SER A 71 1.244 -3.875 12.233 1.00 0.00 C ATOM 1093 O SER A 71 0.586 -2.838 12.325 1.00 0.00 O ATOM 1094 CB SER A 71 2.127 -4.708 14.421 1.00 0.00 C ATOM 1095 OG SER A 71 3.144 -5.584 14.875 1.00 0.00 O ATOM 0 H SER A 71 3.227 -2.506 14.248 1.00 0.00 H new ATOM 0 HA SER A 71 3.165 -4.762 12.541 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.965 -3.921 15.158 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.188 -5.254 14.325 1.00 0.00 H new ATOM 0 HG SER A 71 4.020 -5.236 14.606 1.00 0.00 H new ATOM 1101 N VAL A 72 0.917 -4.868 11.413 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.260 -4.795 10.555 1.00 0.00 C ATOM 1103 C VAL A 72 -1.543 -4.862 11.375 1.00 0.00 C ATOM 1104 O VAL A 72 -2.503 -4.141 11.105 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.268 -5.932 9.515 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.188 -5.587 8.354 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.143 -6.213 9.023 1.00 0.00 C ATOM 0 H VAL A 72 1.450 -5.733 11.324 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.214 -3.838 10.036 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.648 -6.835 9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.181 -6.401 7.630 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.202 -5.440 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.841 -4.672 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.119 -7.019 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.553 -5.315 8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.770 -6.508 9.865 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.552 -5.733 12.379 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.718 -5.895 13.241 1.00 0.00 C ATOM 1119 C ASN A 73 -2.393 -5.495 14.677 1.00 0.00 C ATOM 1120 O ASN A 73 -3.063 -4.643 15.262 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.210 -7.343 13.201 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.361 -7.589 14.158 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -4.133 -8.441 15.150 1.00 0.00 O flip ATOM 1124 ND2 ASN A 73 -5.441 -7.018 14.006 1.00 0.00 N flip ATOM 0 H ASN A 73 -0.765 -6.337 12.616 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.507 -5.240 12.871 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.525 -7.589 12.187 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.385 -8.011 13.449 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.571 -6.371 13.228 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.206 -7.192 14.658 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.362 -6.115 15.239 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.947 -5.824 16.606 1.00 0.00 C ATOM 1133 C LEU A 74 -0.946 -4.322 16.867 1.00 0.00 C ATOM 1134 O LEU A 74 -1.028 -3.880 18.014 1.00 0.00 O ATOM 1135 CB LEU A 74 0.445 -6.400 16.871 1.00 0.00 C ATOM 1136 CG LEU A 74 0.625 -7.888 16.570 1.00 0.00 C ATOM 1137 CD1 LEU A 74 1.142 -8.087 15.153 1.00 0.00 C ATOM 1138 CD2 LEU A 74 1.568 -8.527 17.579 1.00 0.00 C ATOM 0 H LEU A 74 -0.798 -6.823 14.769 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.662 -6.291 17.283 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.167 -5.840 16.277 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.693 -6.229 17.918 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.346 -8.376 16.652 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.264 -9.152 14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.430 -7.666 14.443 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.103 -7.585 15.043 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.684 -9.586 17.349 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.540 -8.036 17.530 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.156 -8.417 18.582 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.855 -3.541 15.797 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.847 -2.087 15.909 1.00 0.00 C ATOM 1152 C ASP A 75 -2.111 -1.488 15.301 1.00 0.00 C ATOM 1153 O ASP A 75 -2.841 -2.162 14.575 1.00 0.00 O ATOM 1154 CB ASP A 75 0.389 -1.507 15.220 1.00 0.00 C ATOM 1155 CG ASP A 75 0.676 -0.081 15.647 1.00 0.00 C ATOM 1156 OD1 ASP A 75 0.328 0.276 16.792 1.00 0.00 O ATOM 1157 OD2 ASP A 75 1.248 0.677 14.837 1.00 0.00 O ATOM 0 H ASP A 75 -0.786 -3.890 14.841 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.817 -1.830 16.968 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.253 -2.131 15.446 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.247 -1.538 14.140 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.364 -0.218 15.604 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.541 0.470 15.088 1.00 0.00 C ATOM 1164 C GLN A 76 -3.219 1.201 13.789 1.00 0.00 C ATOM 1165 O GLN A 76 -2.079 1.606 13.560 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.074 1.460 16.126 1.00 0.00 C ATOM 1167 CG GLN A 76 -4.823 0.797 17.270 1.00 0.00 C ATOM 1168 CD GLN A 76 -3.948 -0.146 18.072 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -2.928 0.259 18.630 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -4.343 -1.412 18.134 1.00 0.00 N ATOM 0 H GLN A 76 -1.770 0.354 16.204 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.307 -0.278 14.882 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.240 2.032 16.532 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.737 2.170 15.632 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.223 1.566 17.931 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.674 0.245 16.871 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.195 -1.704 17.656 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.794 -2.092 18.660 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.229 1.365 12.943 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.053 2.047 11.666 1.00 0.00 C ATOM 1181 C TRP A 77 -5.151 3.081 11.445 1.00 0.00 C ATOM 1182 O TRP A 77 -6.095 3.177 12.230 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.050 1.034 10.519 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.778 0.248 10.424 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.196 -0.493 11.413 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.929 0.127 9.277 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.037 -1.068 10.950 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.851 -0.703 9.642 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.976 0.638 7.977 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.169 -1.032 8.754 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.962 0.311 7.097 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.098 -0.518 7.488 1.00 0.00 C ATOM 0 H TRP A 77 -5.178 1.035 13.118 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.093 2.563 11.688 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.885 0.346 10.650 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.215 1.560 9.579 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.589 -0.610 12.412 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.416 -1.669 11.492 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.790 1.277 7.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 0.987 -1.670 9.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.987 0.701 6.090 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.874 -0.756 6.776 1.00 0.00 H new ATOM 1203 N THR A 78 -5.023 3.854 10.371 1.00 0.00 N ATOM 1204 CA THR A 78 -6.004 4.882 10.047 1.00 0.00 C ATOM 1205 C THR A 78 -6.283 4.924 8.549 1.00 0.00 C ATOM 1206 O THR A 78 -5.406 4.633 7.737 1.00 0.00 O ATOM 1207 CB THR A 78 -5.533 6.274 10.509 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.239 6.558 9.968 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.482 6.351 12.028 1.00 0.00 C ATOM 0 H THR A 78 -4.249 3.787 9.710 1.00 0.00 H new ATOM 0 HA THR A 78 -6.920 4.622 10.577 1.00 0.00 H new ATOM 0 HB THR A 78 -6.247 7.014 10.147 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.663 6.921 10.672 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.147 7.343 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.475 6.164 12.435 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.787 5.602 12.407 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.510 5.288 8.190 1.00 0.00 N ATOM 1218 CA ALA A 79 -7.903 5.371 6.789 1.00 0.00 C ATOM 1219 C ALA A 79 -6.809 6.022 5.949 1.00 0.00 C ATOM 1220 O ALA A 79 -6.435 5.509 4.895 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.206 6.143 6.651 1.00 0.00 C ATOM 0 H ALA A 79 -8.249 5.530 8.850 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.053 4.357 6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.487 6.197 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.991 5.635 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.075 7.151 7.044 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.300 7.155 6.424 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.250 7.876 5.715 1.00 0.00 C ATOM 1229 C GLU A 80 -4.118 6.934 5.315 1.00 0.00 C ATOM 1230 O GLU A 80 -3.658 6.950 4.174 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.702 9.010 6.585 1.00 0.00 C ATOM 1232 CG GLU A 80 -4.004 10.102 5.792 1.00 0.00 C ATOM 1233 CD GLU A 80 -4.932 10.797 4.814 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.834 11.529 5.271 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -4.756 10.608 3.592 1.00 0.00 O ATOM 0 H GLU A 80 -6.598 7.593 7.296 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.684 8.300 4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.522 9.451 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.002 8.595 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.591 10.839 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.165 9.670 5.247 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.674 6.116 6.264 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.595 5.169 6.011 1.00 0.00 C ATOM 1244 C GLN A 81 -3.085 3.999 5.165 1.00 0.00 C ATOM 1245 O GLN A 81 -2.360 3.494 4.307 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.021 4.653 7.332 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.576 5.759 8.275 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.675 5.357 9.734 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.251 4.321 10.066 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -1.111 6.177 10.613 1.00 0.00 N ATOM 0 H GLN A 81 -4.045 6.090 7.214 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.811 5.689 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.773 4.042 7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.172 4.004 7.120 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.546 6.033 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.187 6.645 8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.644 7.025 10.292 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.145 5.959 11.609 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.319 3.572 5.411 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.906 2.462 4.671 1.00 0.00 C ATOM 1261 C ILE A 82 -4.877 2.727 3.169 1.00 0.00 C ATOM 1262 O ILE A 82 -4.254 1.985 2.411 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.359 2.200 5.107 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.393 1.615 6.521 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -7.047 1.265 4.124 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.607 0.330 6.661 1.00 0.00 C ATOM 0 H ILE A 82 -4.932 3.978 6.118 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.305 1.581 4.894 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.897 3.148 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.997 2.352 7.220 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.429 1.431 6.805 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.073 1.090 4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -7.050 1.718 3.133 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.511 0.317 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.675 -0.028 7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.017 -0.422 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.562 0.513 6.409 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.555 3.790 2.749 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.606 4.153 1.337 1.00 0.00 C ATOM 1280 C GLN A 83 -4.219 4.084 0.707 1.00 0.00 C ATOM 1281 O GLN A 83 -4.069 3.664 -0.441 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.185 5.560 1.172 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.424 5.952 -0.277 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.372 5.008 -0.989 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -7.010 3.880 -1.324 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.597 5.466 -1.225 1.00 0.00 N ATOM 0 H GLN A 83 -6.076 4.414 3.365 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.252 3.439 0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.127 5.623 1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.505 6.280 1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.829 6.963 -0.314 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.471 5.971 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.855 6.408 -0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.279 4.876 -1.701 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.210 4.500 1.463 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.834 4.486 0.978 1.00 0.00 C ATOM 1297 C CYS A 84 -1.399 3.070 0.617 1.00 0.00 C ATOM 1298 O CYS A 84 -0.884 2.827 -0.474 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.893 5.069 2.033 1.00 0.00 C ATOM 1300 SG CYS A 84 -1.330 6.738 2.572 1.00 0.00 S ATOM 0 H CYS A 84 -3.318 4.851 2.414 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.785 5.101 0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -0.884 4.409 2.901 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.121 5.082 1.632 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.249 6.671 3.489 1.00 0.00 H new ATOM 1306 N MET A 85 -1.609 2.138 1.541 1.00 0.00 N ATOM 1307 CA MET A 85 -1.237 0.745 1.320 1.00 0.00 C ATOM 1308 C MET A 85 -1.637 0.292 -0.081 1.00 0.00 C ATOM 1309 O MET A 85 -0.855 -0.351 -0.780 1.00 0.00 O ATOM 1310 CB MET A 85 -1.898 -0.153 2.367 1.00 0.00 C ATOM 1311 CG MET A 85 -1.318 0.012 3.763 1.00 0.00 C ATOM 1312 SD MET A 85 0.471 -0.202 3.801 1.00 0.00 S ATOM 1313 CE MET A 85 0.626 -1.874 3.177 1.00 0.00 C ATOM 0 H MET A 85 -2.035 2.322 2.450 1.00 0.00 H new ATOM 0 HA MET A 85 -0.154 0.664 1.414 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.966 0.064 2.398 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.793 -1.193 2.060 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.570 1.002 4.142 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.781 -0.713 4.433 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.648 -2.223 3.323 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.061 -2.528 3.714 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.385 -1.889 2.114 1.00 0.00 H new ATOM 1323 N GLN A 86 -2.857 0.631 -0.482 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.359 0.258 -1.799 1.00 0.00 C ATOM 1325 C GLN A 86 -2.785 1.169 -2.879 1.00 0.00 C ATOM 1326 O GLN A 86 -2.230 0.697 -3.872 1.00 0.00 O ATOM 1327 CB GLN A 86 -4.888 0.320 -1.822 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.551 -0.654 -0.862 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.568 -0.145 0.566 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.783 1.042 0.812 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.340 -1.044 1.517 1.00 0.00 N ATOM 0 H GLN A 86 -3.516 1.163 0.086 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.041 -0.764 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.206 1.333 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.236 0.114 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.574 -0.841 -1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.025 -1.608 -0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.166 -2.018 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.339 -0.761 2.497 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.922 2.475 -2.679 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.416 3.452 -3.635 1.00 0.00 C ATOM 1342 C ASP A 87 -1.015 3.076 -4.107 1.00 0.00 C ATOM 1343 O ASP A 87 -0.721 3.112 -5.301 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.400 4.848 -3.010 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.784 5.460 -2.924 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.763 4.696 -2.785 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.889 6.702 -2.994 1.00 0.00 O ATOM 0 H ASP A 87 -3.379 2.881 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.081 3.457 -4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.969 4.790 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.754 5.499 -3.599 1.00 0.00 H new ATOM 1352 N MET A 88 -0.154 2.716 -3.160 1.00 0.00 N ATOM 1353 CA MET A 88 1.216 2.333 -3.479 1.00 0.00 C ATOM 1354 C MET A 88 1.349 0.817 -3.574 1.00 0.00 C ATOM 1355 O MET A 88 1.510 0.265 -4.662 1.00 0.00 O ATOM 1356 CB MET A 88 2.180 2.876 -2.422 1.00 0.00 C ATOM 1357 CG MET A 88 3.644 2.637 -2.754 1.00 0.00 C ATOM 1358 SD MET A 88 4.372 3.988 -3.699 1.00 0.00 S ATOM 1359 CE MET A 88 5.078 3.094 -5.080 1.00 0.00 C ATOM 0 H MET A 88 -0.381 2.682 -2.166 1.00 0.00 H new ATOM 0 HA MET A 88 1.470 2.764 -4.448 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.013 3.947 -2.305 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.953 2.411 -1.462 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.205 2.502 -1.829 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.737 1.711 -3.321 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.160 3.035 -4.960 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.661 2.087 -5.113 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.844 3.615 -6.009 1.00 0.00 H new ATOM 1369 N GLY A 89 1.281 0.148 -2.427 1.00 0.00 N ATOM 1370 CA GLY A 89 1.396 -1.298 -2.404 1.00 0.00 C ATOM 1371 C GLY A 89 2.698 -1.786 -3.007 1.00 0.00 C ATOM 1372 O GLY A 89 3.516 -0.989 -3.462 1.00 0.00 O ATOM 0 H GLY A 89 1.148 0.582 -1.513 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.322 -1.649 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.560 -1.735 -2.950 1.00 0.00 H new ATOM 1376 N ASN A 90 2.891 -3.101 -3.010 1.00 0.00 N ATOM 1377 CA ASN A 90 4.104 -3.695 -3.560 1.00 0.00 C ATOM 1378 C ASN A 90 4.153 -3.526 -5.075 1.00 0.00 C ATOM 1379 O ASN A 90 5.218 -3.303 -5.653 1.00 0.00 O ATOM 1380 CB ASN A 90 4.180 -5.179 -3.198 1.00 0.00 C ATOM 1381 CG ASN A 90 4.087 -5.415 -1.702 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.216 -4.865 -1.029 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.988 -6.237 -1.176 1.00 0.00 N ATOM 0 H ASN A 90 2.223 -3.776 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 90 4.960 -3.179 -3.127 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.373 -5.714 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.117 -5.594 -3.571 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.976 -6.434 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.692 -6.671 -1.773 1.00 0.00 H new ATOM 1390 N THR A 91 2.993 -3.635 -5.715 1.00 0.00 N ATOM 1391 CA THR A 91 2.903 -3.495 -7.163 1.00 0.00 C ATOM 1392 C THR A 91 3.744 -2.324 -7.656 1.00 0.00 C ATOM 1393 O THR A 91 4.787 -2.514 -8.283 1.00 0.00 O ATOM 1394 CB THR A 91 1.445 -3.293 -7.618 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.656 -4.431 -7.253 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.373 -3.082 -9.123 1.00 0.00 C ATOM 0 H THR A 91 2.103 -3.820 -5.253 1.00 0.00 H new ATOM 0 HA THR A 91 3.286 -4.420 -7.594 1.00 0.00 H new ATOM 0 HB THR A 91 1.052 -2.405 -7.123 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.270 -4.294 -7.544 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.334 -2.942 -9.421 1.00 0.00 H new ATOM 0 HG22 THR A 91 1.951 -2.199 -9.395 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.782 -3.954 -9.633 1.00 0.00 H new ATOM 1404 N LYS A 92 3.285 -1.110 -7.369 1.00 0.00 N ATOM 1405 CA LYS A 92 3.997 0.094 -7.782 1.00 0.00 C ATOM 1406 C LYS A 92 5.406 0.121 -7.198 1.00 0.00 C ATOM 1407 O LYS A 92 6.372 0.418 -7.899 1.00 0.00 O ATOM 1408 CB LYS A 92 3.227 1.342 -7.341 1.00 0.00 C ATOM 1409 CG LYS A 92 1.961 1.590 -8.143 1.00 0.00 C ATOM 1410 CD LYS A 92 0.890 0.561 -7.827 1.00 0.00 C ATOM 1411 CE LYS A 92 -0.431 0.907 -8.497 1.00 0.00 C ATOM 1412 NZ LYS A 92 -1.533 0.013 -8.045 1.00 0.00 N ATOM 0 H LYS A 92 2.423 -0.934 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 92 4.074 0.086 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.966 1.244 -6.287 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.879 2.211 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.582 2.589 -7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.192 1.560 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.221 -0.423 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 92 0.747 0.502 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.690 1.943 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.321 0.829 -9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -2.416 0.281 -8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -1.298 -0.973 -8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.655 0.106 -7.016 1.00 0.00 H new ATOM 1426 N ALA A 93 5.514 -0.193 -5.911 1.00 0.00 N ATOM 1427 CA ALA A 93 6.805 -0.208 -5.235 1.00 0.00 C ATOM 1428 C ALA A 93 7.881 -0.830 -6.119 1.00 0.00 C ATOM 1429 O ALA A 93 9.008 -0.340 -6.180 1.00 0.00 O ATOM 1430 CB ALA A 93 6.702 -0.961 -3.917 1.00 0.00 C ATOM 0 H ALA A 93 4.723 -0.440 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 93 7.092 0.823 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.674 -0.964 -3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.970 -0.472 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.389 -1.987 -4.108 1.00 0.00 H new ATOM 1436 N ARG A 94 7.525 -1.914 -6.801 1.00 0.00 N ATOM 1437 CA ARG A 94 8.461 -2.604 -7.681 1.00 0.00 C ATOM 1438 C ARG A 94 8.729 -1.785 -8.940 1.00 0.00 C ATOM 1439 O ARG A 94 9.876 -1.638 -9.365 1.00 0.00 O ATOM 1440 CB ARG A 94 7.914 -3.981 -8.062 1.00 0.00 C ATOM 1441 CG ARG A 94 8.775 -4.719 -9.074 1.00 0.00 C ATOM 1442 CD ARG A 94 7.986 -5.805 -9.790 1.00 0.00 C ATOM 1443 NE ARG A 94 8.859 -6.801 -10.404 1.00 0.00 N ATOM 1444 CZ ARG A 94 8.432 -7.976 -10.852 1.00 0.00 C ATOM 1445 NH1 ARG A 94 7.150 -8.301 -10.755 1.00 0.00 N ATOM 1446 NH2 ARG A 94 9.288 -8.830 -11.400 1.00 0.00 N ATOM 0 H ARG A 94 6.596 -2.333 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 94 9.401 -2.729 -7.144 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.824 -4.589 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.910 -3.864 -8.469 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.167 -4.011 -9.804 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.632 -5.164 -8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.319 -6.295 -9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.358 -5.351 -10.557 1.00 0.00 H new ATOM 0 HE ARG A 94 9.851 -6.582 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.489 -7.648 -10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.825 -9.204 -11.100 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.275 -8.584 -11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.959 -9.732 -11.744 1.00 0.00 H new ATOM 1460 N LEU A 95 7.665 -1.255 -9.532 1.00 0.00 N ATOM 1461 CA LEU A 95 7.785 -0.451 -10.743 1.00 0.00 C ATOM 1462 C LEU A 95 8.443 0.892 -10.442 1.00 0.00 C ATOM 1463 O LEU A 95 8.728 1.673 -11.351 1.00 0.00 O ATOM 1464 CB LEU A 95 6.407 -0.228 -11.369 1.00 0.00 C ATOM 1465 CG LEU A 95 5.535 -1.473 -11.535 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.084 -1.082 -11.763 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.045 -2.332 -12.682 1.00 0.00 C ATOM 0 H LEU A 95 6.709 -1.367 -9.193 1.00 0.00 H new ATOM 0 HA LEU A 95 8.415 -0.993 -11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.864 0.492 -10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.545 0.228 -12.350 1.00 0.00 H new ATOM 0 HG LEU A 95 5.592 -2.058 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.479 -1.981 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.723 -0.509 -10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.008 -0.475 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.412 -3.214 -12.786 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.019 -1.756 -13.607 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.069 -2.643 -12.476 1.00 0.00 H new ATOM 1479 N LEU A 96 8.682 1.154 -9.162 1.00 0.00 N ATOM 1480 CA LEU A 96 9.309 2.402 -8.740 1.00 0.00 C ATOM 1481 C LEU A 96 10.713 2.151 -8.200 1.00 0.00 C ATOM 1482 O LEU A 96 11.705 2.544 -8.815 1.00 0.00 O ATOM 1483 CB LEU A 96 8.455 3.090 -7.674 1.00 0.00 C ATOM 1484 CG LEU A 96 8.609 4.607 -7.567 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.922 4.965 -6.889 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.525 5.250 -8.943 1.00 0.00 C ATOM 0 H LEU A 96 8.451 0.519 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 96 9.386 3.053 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.408 2.865 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.695 2.651 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 96 7.792 4.993 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.013 6.049 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.943 4.537 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.753 4.566 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.637 6.330 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.320 4.858 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.558 5.024 -9.392 1.00 0.00 H new ATOM 1498 N TYR A 97 10.789 1.492 -7.049 1.00 0.00 N ATOM 1499 CA TYR A 97 12.072 1.189 -6.426 1.00 0.00 C ATOM 1500 C TYR A 97 12.844 0.156 -7.242 1.00 0.00 C ATOM 1501 O TYR A 97 14.025 0.338 -7.535 1.00 0.00 O ATOM 1502 CB TYR A 97 11.861 0.674 -5.001 1.00 0.00 C ATOM 1503 CG TYR A 97 11.379 1.736 -4.039 1.00 0.00 C ATOM 1504 CD1 TYR A 97 10.021 1.969 -3.855 1.00 0.00 C ATOM 1505 CD2 TYR A 97 12.279 2.507 -3.315 1.00 0.00 C ATOM 1506 CE1 TYR A 97 9.575 2.939 -2.978 1.00 0.00 C ATOM 1507 CE2 TYR A 97 11.843 3.478 -2.434 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.490 3.690 -2.269 1.00 0.00 C ATOM 1509 OH TYR A 97 10.051 4.657 -1.394 1.00 0.00 O ATOM 0 H TYR A 97 9.978 1.158 -6.529 1.00 0.00 H new ATOM 0 HA TYR A 97 12.656 2.109 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.138 -0.141 -5.022 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.799 0.259 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.302 1.382 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 97 13.339 2.345 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 97 8.516 3.108 -2.848 1.00 0.00 H new ATOM 0 HE2 TYR A 97 12.557 4.067 -1.878 1.00 0.00 H new ATOM 0 HH TYR A 97 10.822 5.093 -0.975 1.00 0.00 H new ATOM 1519 N GLU A 98 12.165 -0.927 -7.607 1.00 0.00 N ATOM 1520 CA GLU A 98 12.787 -1.989 -8.390 1.00 0.00 C ATOM 1521 C GLU A 98 12.741 -1.665 -9.880 1.00 0.00 C ATOM 1522 O GLU A 98 12.615 -2.558 -10.717 1.00 0.00 O ATOM 1523 CB GLU A 98 12.087 -3.324 -8.125 1.00 0.00 C ATOM 1524 CG GLU A 98 12.323 -3.869 -6.727 1.00 0.00 C ATOM 1525 CD GLU A 98 11.626 -5.195 -6.492 1.00 0.00 C ATOM 1526 OE1 GLU A 98 11.931 -6.164 -7.218 1.00 0.00 O ATOM 1527 OE2 GLU A 98 10.774 -5.263 -5.581 1.00 0.00 O ATOM 0 H GLU A 98 11.186 -1.092 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 98 13.831 -2.067 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.015 -3.200 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.433 -4.057 -8.854 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.394 -3.992 -6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.971 -3.143 -5.994 1.00 0.00 H new ATOM 1534 N ALA A 99 12.844 -0.380 -10.203 1.00 0.00 N ATOM 1535 CA ALA A 99 12.816 0.064 -11.591 1.00 0.00 C ATOM 1536 C ALA A 99 14.223 0.359 -12.101 1.00 0.00 C ATOM 1537 O ALA A 99 14.535 0.111 -13.265 1.00 0.00 O ATOM 1538 CB ALA A 99 11.931 1.293 -11.735 1.00 0.00 C ATOM 0 H ALA A 99 12.948 0.372 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 99 12.400 -0.742 -12.196 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.920 1.613 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.917 1.050 -11.419 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.322 2.098 -11.112 1.00 0.00 H new ATOM 1544 N ASN A 100 15.066 0.890 -11.223 1.00 0.00 N ATOM 1545 CA ASN A 100 16.440 1.221 -11.586 1.00 0.00 C ATOM 1546 C ASN A 100 17.391 0.091 -11.203 1.00 0.00 C ATOM 1547 O ASN A 100 18.595 0.302 -11.053 1.00 0.00 O ATOM 1548 CB ASN A 100 16.872 2.519 -10.901 1.00 0.00 C ATOM 1549 CG ASN A 100 16.433 3.751 -11.669 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.748 3.906 -12.849 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.701 4.635 -11.001 1.00 0.00 N ATOM 0 H ASN A 100 14.823 1.101 -10.255 1.00 0.00 H new ATOM 0 HA ASN A 100 16.481 1.357 -12.667 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.453 2.553 -9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.957 2.527 -10.795 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.376 5.483 -11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.463 4.466 -10.024 1.00 0.00 H new ATOM 1558 N LEU A 101 16.842 -1.109 -11.047 1.00 0.00 N ATOM 1559 CA LEU A 101 17.641 -2.274 -10.683 1.00 0.00 C ATOM 1560 C LEU A 101 18.364 -2.841 -11.900 1.00 0.00 C ATOM 1561 O LEU A 101 17.942 -2.661 -13.043 1.00 0.00 O ATOM 1562 CB LEU A 101 16.752 -3.350 -10.056 1.00 0.00 C ATOM 1563 CG LEU A 101 16.409 -3.161 -8.578 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.441 -4.237 -8.113 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.673 -3.174 -7.731 1.00 0.00 C ATOM 0 H LEU A 101 15.847 -1.301 -11.167 1.00 0.00 H new ATOM 0 HA LEU A 101 18.388 -1.958 -9.955 1.00 0.00 H new ATOM 0 HB2 LEU A 101 15.821 -3.398 -10.621 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.246 -4.315 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 101 15.926 -2.191 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.208 -4.086 -7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.524 -4.179 -8.699 1.00 0.00 H new ATOM 0 HD13 LEU A 101 15.896 -5.218 -8.247 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.410 -3.038 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.185 -4.128 -7.856 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.331 -2.365 -8.047 1.00 0.00 H new ATOM 1664 N ARG A 107 17.968 -10.326 -5.036 1.00 0.00 N ATOM 1665 CA ARG A 107 17.707 -9.962 -3.648 1.00 0.00 C ATOM 1666 C ARG A 107 18.730 -10.606 -2.716 1.00 0.00 C ATOM 1667 O ARG A 107 19.061 -11.786 -2.838 1.00 0.00 O ATOM 1668 CB ARG A 107 16.294 -10.387 -3.244 1.00 0.00 C ATOM 1669 CG ARG A 107 15.202 -9.742 -4.081 1.00 0.00 C ATOM 1670 CD ARG A 107 13.856 -10.411 -3.851 1.00 0.00 C ATOM 1671 NE ARG A 107 12.987 -10.310 -5.021 1.00 0.00 N ATOM 1672 CZ ARG A 107 12.394 -9.184 -5.401 1.00 0.00 C ATOM 1673 NH1 ARG A 107 12.576 -8.068 -4.707 1.00 0.00 N ATOM 1674 NH2 ARG A 107 11.618 -9.172 -6.477 1.00 0.00 N ATOM 0 HA ARG A 107 17.792 -8.879 -3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.212 -11.471 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.133 -10.135 -2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.130 -8.683 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.466 -9.806 -5.137 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.011 -11.461 -3.604 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.364 -9.951 -2.994 1.00 0.00 H new ATOM 0 HE ARG A 107 12.827 -11.150 -5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.172 -8.074 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.119 -7.205 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.476 -10.028 -7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.163 -8.307 -6.768 1.00 0.00 H new ATOM 1688 N PRO A 108 19.243 -9.815 -1.763 1.00 0.00 N ATOM 1689 CA PRO A 108 20.235 -10.286 -0.792 1.00 0.00 C ATOM 1690 C PRO A 108 19.643 -11.273 0.209 1.00 0.00 C ATOM 1691 O PRO A 108 18.513 -11.103 0.667 1.00 0.00 O ATOM 1692 CB PRO A 108 20.673 -9.003 -0.081 1.00 0.00 C ATOM 1693 CG PRO A 108 19.518 -8.074 -0.230 1.00 0.00 C ATOM 1694 CD PRO A 108 18.893 -8.399 -1.559 1.00 0.00 C ATOM 0 HA PRO A 108 21.052 -10.824 -1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.898 -9.189 0.969 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.575 -8.589 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 108 18.802 -8.208 0.581 1.00 0.00 H new ATOM 0 HG3 PRO A 108 19.846 -7.035 -0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.813 -8.250 -1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.290 -7.768 -2.355 1.00 0.00 H new ATOM 1702 N GLN A 109 20.413 -12.303 0.543 1.00 0.00 N ATOM 1703 CA GLN A 109 19.964 -13.317 1.489 1.00 0.00 C ATOM 1704 C GLN A 109 20.529 -13.052 2.881 1.00 0.00 C ATOM 1705 O GLN A 109 19.847 -13.248 3.888 1.00 0.00 O ATOM 1706 CB GLN A 109 20.381 -14.710 1.013 1.00 0.00 C ATOM 1707 CG GLN A 109 19.477 -15.822 1.521 1.00 0.00 C ATOM 1708 CD GLN A 109 18.313 -16.099 0.590 1.00 0.00 C ATOM 1709 OE1 GLN A 109 18.389 -16.972 -0.275 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.227 -15.355 0.762 1.00 0.00 N ATOM 0 H GLN A 109 21.351 -12.457 0.173 1.00 0.00 H new ATOM 0 HA GLN A 109 18.876 -13.270 1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.386 -14.726 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 109 21.402 -14.906 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 109 20.063 -16.733 1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 109 19.094 -15.553 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.207 -14.642 1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.412 -15.496 0.165 1.00 0.00 H new ATOM 1719 N THR A 110 21.780 -12.605 2.931 1.00 0.00 N ATOM 1720 CA THR A 110 22.437 -12.314 4.198 1.00 0.00 C ATOM 1721 C THR A 110 22.083 -10.917 4.694 1.00 0.00 C ATOM 1722 O THR A 110 22.047 -9.962 3.917 1.00 0.00 O ATOM 1723 CB THR A 110 23.969 -12.430 4.076 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.442 -11.578 3.027 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.382 -13.866 3.797 1.00 0.00 C ATOM 0 H THR A 110 22.358 -12.437 2.108 1.00 0.00 H new ATOM 0 HA THR A 110 22.079 -13.052 4.916 1.00 0.00 H new ATOM 0 HB THR A 110 24.412 -12.120 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.416 -11.656 2.957 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.467 -13.923 3.715 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.046 -14.506 4.612 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.930 -14.200 2.863 1.00 0.00 H new ATOM 1733 N ASP A 111 21.822 -10.803 5.992 1.00 0.00 N ATOM 1734 CA ASP A 111 21.471 -9.521 6.592 1.00 0.00 C ATOM 1735 C ASP A 111 22.549 -8.478 6.313 1.00 0.00 C ATOM 1736 O ASP A 111 22.258 -7.385 5.828 1.00 0.00 O ATOM 1737 CB ASP A 111 21.272 -9.677 8.100 1.00 0.00 C ATOM 1738 CG ASP A 111 22.529 -10.150 8.804 1.00 0.00 C ATOM 1739 OD1 ASP A 111 22.735 -11.379 8.889 1.00 0.00 O ATOM 1740 OD2 ASP A 111 23.307 -9.291 9.269 1.00 0.00 O ATOM 0 H ASP A 111 21.847 -11.583 6.649 1.00 0.00 H new ATOM 0 HA ASP A 111 20.537 -9.181 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 111 20.960 -8.722 8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.466 -10.387 8.286 1.00 0.00 H new ATOM 1745 N GLN A 112 23.794 -8.823 6.625 1.00 0.00 N ATOM 1746 CA GLN A 112 24.915 -7.916 6.410 1.00 0.00 C ATOM 1747 C GLN A 112 24.702 -7.076 5.155 1.00 0.00 C ATOM 1748 O GLN A 112 25.087 -5.908 5.105 1.00 0.00 O ATOM 1749 CB GLN A 112 26.221 -8.703 6.296 1.00 0.00 C ATOM 1750 CG GLN A 112 26.227 -9.712 5.159 1.00 0.00 C ATOM 1751 CD GLN A 112 27.627 -10.122 4.749 1.00 0.00 C ATOM 1752 OE1 GLN A 112 28.088 -9.793 3.655 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.314 -10.844 5.627 1.00 0.00 N ATOM 0 H GLN A 112 24.052 -9.724 7.028 1.00 0.00 H new ATOM 0 HA GLN A 112 24.977 -7.246 7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 112 27.045 -8.004 6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.404 -9.225 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.667 -10.597 5.461 1.00 0.00 H new ATOM 0 HG3 GLN A 112 25.711 -9.287 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 112 27.893 -11.094 6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 112 29.262 -11.148 5.406 1.00 0.00 H new ATOM 1762 N ALA A 113 24.087 -7.679 4.143 1.00 0.00 N ATOM 1763 CA ALA A 113 23.822 -6.986 2.888 1.00 0.00 C ATOM 1764 C ALA A 113 22.445 -6.330 2.904 1.00 0.00 C ATOM 1765 O ALA A 113 22.315 -5.131 2.656 1.00 0.00 O ATOM 1766 CB ALA A 113 23.935 -7.952 1.718 1.00 0.00 C ATOM 0 H ALA A 113 23.763 -8.646 4.168 1.00 0.00 H new ATOM 0 HA ALA A 113 24.569 -6.201 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.735 -7.421 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.941 -8.371 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.210 -8.757 1.840 1.00 0.00 H new ATOM 1772 N VAL A 114 21.420 -7.123 3.197 1.00 0.00 N ATOM 1773 CA VAL A 114 20.052 -6.618 3.245 1.00 0.00 C ATOM 1774 C VAL A 114 19.999 -5.237 3.887 1.00 0.00 C ATOM 1775 O VAL A 114 19.549 -4.272 3.269 1.00 0.00 O ATOM 1776 CB VAL A 114 19.130 -7.572 4.027 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.701 -7.049 4.031 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.192 -8.974 3.440 1.00 0.00 C ATOM 0 H VAL A 114 21.510 -8.118 3.405 1.00 0.00 H new ATOM 0 HA VAL A 114 19.702 -6.550 2.215 1.00 0.00 H new ATOM 0 HB VAL A 114 19.477 -7.620 5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.064 -7.736 4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.674 -6.066 4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.340 -6.970 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.534 -9.634 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.871 -8.947 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.215 -9.347 3.495 1.00 0.00 H new ATOM 1788 N GLU A 115 20.461 -5.149 5.130 1.00 0.00 N ATOM 1789 CA GLU A 115 20.465 -3.885 5.856 1.00 0.00 C ATOM 1790 C GLU A 115 20.864 -2.732 4.938 1.00 0.00 C ATOM 1791 O GLU A 115 20.153 -1.733 4.833 1.00 0.00 O ATOM 1792 CB GLU A 115 21.423 -3.958 7.047 1.00 0.00 C ATOM 1793 CG GLU A 115 20.765 -4.445 8.327 1.00 0.00 C ATOM 1794 CD GLU A 115 21.758 -5.059 9.296 1.00 0.00 C ATOM 1795 OE1 GLU A 115 22.622 -5.839 8.845 1.00 0.00 O ATOM 1796 OE2 GLU A 115 21.669 -4.758 10.505 1.00 0.00 O ATOM 0 H GLU A 115 20.837 -5.938 5.655 1.00 0.00 H new ATOM 0 HA GLU A 115 19.455 -3.703 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 115 22.250 -4.623 6.797 1.00 0.00 H new ATOM 0 HB3 GLU A 115 21.850 -2.970 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.259 -3.610 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.000 -5.182 8.081 1.00 0.00 H new ATOM 1803 N PHE A 116 22.007 -2.879 4.277 1.00 0.00 N ATOM 1804 CA PHE A 116 22.503 -1.851 3.370 1.00 0.00 C ATOM 1805 C PHE A 116 21.592 -1.714 2.153 1.00 0.00 C ATOM 1806 O PHE A 116 21.036 -0.645 1.897 1.00 0.00 O ATOM 1807 CB PHE A 116 23.927 -2.182 2.919 1.00 0.00 C ATOM 1808 CG PHE A 116 24.972 -1.855 3.947 1.00 0.00 C ATOM 1809 CD1 PHE A 116 25.024 -0.597 4.526 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.903 -2.805 4.335 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.985 -0.293 5.472 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.866 -2.507 5.281 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.906 -1.250 5.851 1.00 0.00 C ATOM 0 H PHE A 116 22.607 -3.700 4.352 1.00 0.00 H new ATOM 0 HA PHE A 116 22.510 -0.902 3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.986 -3.243 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.146 -1.634 2.003 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.305 0.155 4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.876 -3.790 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.016 0.692 5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.586 -3.257 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.656 -1.016 6.592 1.00 0.00 H new ATOM 1823 N PHE A 117 21.444 -2.803 1.407 1.00 0.00 N ATOM 1824 CA PHE A 117 20.602 -2.805 0.216 1.00 0.00 C ATOM 1825 C PHE A 117 19.367 -1.933 0.422 1.00 0.00 C ATOM 1826 O PHE A 117 19.140 -0.976 -0.320 1.00 0.00 O ATOM 1827 CB PHE A 117 20.179 -4.234 -0.133 1.00 0.00 C ATOM 1828 CG PHE A 117 19.219 -4.310 -1.285 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.543 -3.753 -2.512 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.993 -4.939 -1.142 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.661 -3.821 -3.574 1.00 0.00 C ATOM 1832 CE2 PHE A 117 17.107 -5.011 -2.201 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.442 -4.452 -3.418 1.00 0.00 C ATOM 0 H PHE A 117 21.896 -3.696 1.606 1.00 0.00 H new ATOM 0 HA PHE A 117 21.182 -2.393 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 117 21.067 -4.819 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.720 -4.693 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.495 -3.260 -2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.726 -5.378 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.924 -3.381 -4.525 1.00 0.00 H new ATOM 0 HE2 PHE A 117 16.154 -5.504 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.752 -4.508 -4.247 1.00 0.00 H new ATOM 1843 N ILE A 118 18.573 -2.270 1.432 1.00 0.00 N ATOM 1844 CA ILE A 118 17.362 -1.518 1.736 1.00 0.00 C ATOM 1845 C ILE A 118 17.680 -0.052 2.011 1.00 0.00 C ATOM 1846 O ILE A 118 16.998 0.846 1.516 1.00 0.00 O ATOM 1847 CB ILE A 118 16.623 -2.108 2.951 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.133 -3.523 2.639 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.457 -1.214 3.347 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.567 -4.246 3.841 1.00 0.00 C ATOM 0 H ILE A 118 18.746 -3.059 2.054 1.00 0.00 H new ATOM 0 HA ILE A 118 16.718 -1.590 0.860 1.00 0.00 H new ATOM 0 HB ILE A 118 17.317 -2.160 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.369 -3.471 1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 118 16.961 -4.104 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.944 -1.644 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.830 -0.223 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.760 -1.134 2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.239 -5.243 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.335 -4.330 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.718 -3.687 4.235 1.00 0.00 H new ATOM 1862 N ARG A 119 18.721 0.183 2.803 1.00 0.00 N ATOM 1863 CA ARG A 119 19.131 1.540 3.144 1.00 0.00 C ATOM 1864 C ARG A 119 19.471 2.338 1.888 1.00 0.00 C ATOM 1865 O ARG A 119 18.808 3.324 1.569 1.00 0.00 O ATOM 1866 CB ARG A 119 20.337 1.511 4.085 1.00 0.00 C ATOM 1867 CG ARG A 119 19.961 1.488 5.557 1.00 0.00 C ATOM 1868 CD ARG A 119 21.036 0.816 6.396 1.00 0.00 C ATOM 1869 NE ARG A 119 22.316 1.513 6.306 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.621 2.587 7.027 1.00 0.00 C ATOM 1871 NH1 ARG A 119 21.742 3.083 7.887 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.807 3.166 6.888 1.00 0.00 N ATOM 0 H ARG A 119 19.296 -0.549 3.221 1.00 0.00 H new ATOM 0 HA ARG A 119 18.297 2.028 3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 119 20.942 0.633 3.860 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.959 2.385 3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.807 2.508 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.016 0.960 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 119 20.715 0.781 7.437 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.161 -0.215 6.067 1.00 0.00 H new ATOM 0 HE ARG A 119 23.014 1.156 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 119 20.830 2.640 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 119 21.978 3.907 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 119 24.485 2.787 6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 119 24.040 3.990 7.442 1.00 0.00 H new ATOM 1886 N ASP A 120 20.508 1.903 1.181 1.00 0.00 N ATOM 1887 CA ASP A 120 20.936 2.575 -0.040 1.00 0.00 C ATOM 1888 C ASP A 120 19.831 2.548 -1.092 1.00 0.00 C ATOM 1889 O ASP A 120 19.826 3.352 -2.024 1.00 0.00 O ATOM 1890 CB ASP A 120 22.201 1.917 -0.594 1.00 0.00 C ATOM 1891 CG ASP A 120 23.323 1.872 0.424 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.862 2.947 0.760 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.664 0.762 0.884 1.00 0.00 O ATOM 0 H ASP A 120 21.068 1.088 1.432 1.00 0.00 H new ATOM 0 HA ASP A 120 21.154 3.614 0.205 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.967 0.903 -0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.536 2.464 -1.475 1.00 0.00 H new ATOM 1898 N LYS A 121 18.897 1.616 -0.936 1.00 0.00 N ATOM 1899 CA LYS A 121 17.786 1.482 -1.871 1.00 0.00 C ATOM 1900 C LYS A 121 16.722 2.542 -1.607 1.00 0.00 C ATOM 1901 O LYS A 121 16.208 3.165 -2.537 1.00 0.00 O ATOM 1902 CB LYS A 121 17.168 0.086 -1.764 1.00 0.00 C ATOM 1903 CG LYS A 121 15.904 -0.084 -2.590 1.00 0.00 C ATOM 1904 CD LYS A 121 15.486 -1.543 -2.675 1.00 0.00 C ATOM 1905 CE LYS A 121 14.135 -1.696 -3.357 1.00 0.00 C ATOM 1906 NZ LYS A 121 14.239 -1.547 -4.835 1.00 0.00 N ATOM 0 H LYS A 121 18.887 0.942 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 121 18.174 1.625 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.903 -0.653 -2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.940 -0.122 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.098 0.501 -2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.069 0.307 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.239 -2.107 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.439 -1.968 -1.673 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.717 -2.674 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.444 -0.950 -2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.300 -1.675 -5.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.598 -0.598 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.892 -2.264 -5.211 1.00 0.00 H new ATOM 1920 N TYR A 122 16.397 2.744 -0.335 1.00 0.00 N ATOM 1921 CA TYR A 122 15.393 3.729 0.051 1.00 0.00 C ATOM 1922 C TYR A 122 16.050 4.973 0.641 1.00 0.00 C ATOM 1923 O TYR A 122 15.844 6.085 0.157 1.00 0.00 O ATOM 1924 CB TYR A 122 14.417 3.124 1.061 1.00 0.00 C ATOM 1925 CG TYR A 122 13.485 2.095 0.463 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.899 0.783 0.268 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.190 2.435 0.090 1.00 0.00 C ATOM 1928 CE1 TYR A 122 13.051 -0.160 -0.279 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.335 1.498 -0.456 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.770 0.202 -0.639 1.00 0.00 C ATOM 1931 OH TYR A 122 10.922 -0.733 -1.185 1.00 0.00 O ATOM 0 H TYR A 122 16.814 2.239 0.447 1.00 0.00 H new ATOM 0 HA TYR A 122 14.843 4.021 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 122 14.984 2.662 1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.824 3.924 1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.901 0.496 0.549 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.846 3.449 0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.389 -1.175 -0.424 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.331 1.779 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 122 10.057 -0.315 -1.381 1.00 0.00 H new ATOM 1941 N GLU A 123 16.841 4.774 1.691 1.00 0.00 N ATOM 1942 CA GLU A 123 17.528 5.880 2.349 1.00 0.00 C ATOM 1943 C GLU A 123 18.270 6.742 1.332 1.00 0.00 C ATOM 1944 O GLU A 123 18.055 7.951 1.251 1.00 0.00 O ATOM 1945 CB GLU A 123 18.509 5.349 3.396 1.00 0.00 C ATOM 1946 CG GLU A 123 18.785 6.330 4.523 1.00 0.00 C ATOM 1947 CD GLU A 123 19.936 5.892 5.408 1.00 0.00 C ATOM 1948 OE1 GLU A 123 20.813 5.150 4.917 1.00 0.00 O ATOM 1949 OE2 GLU A 123 19.961 6.291 6.591 1.00 0.00 O ATOM 0 H GLU A 123 17.022 3.859 2.104 1.00 0.00 H new ATOM 0 HA GLU A 123 16.778 6.497 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.112 4.426 3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.450 5.097 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 123 19.009 7.310 4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.887 6.442 5.130 1.00 0.00 H new ATOM 1956 N LYS A 124 19.145 6.110 0.556 1.00 0.00 N ATOM 1957 CA LYS A 124 19.920 6.816 -0.457 1.00 0.00 C ATOM 1958 C LYS A 124 19.107 6.997 -1.735 1.00 0.00 C ATOM 1959 O LYS A 124 19.448 7.816 -2.589 1.00 0.00 O ATOM 1960 CB LYS A 124 21.211 6.054 -0.764 1.00 0.00 C ATOM 1961 CG LYS A 124 22.111 5.871 0.445 1.00 0.00 C ATOM 1962 CD LYS A 124 23.035 7.061 0.639 1.00 0.00 C ATOM 1963 CE LYS A 124 24.348 6.649 1.285 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.310 6.103 0.287 1.00 0.00 N ATOM 0 H LYS A 124 19.335 5.109 0.610 1.00 0.00 H new ATOM 0 HA LYS A 124 20.172 7.801 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.957 5.074 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.762 6.587 -1.539 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.500 5.735 1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 124 22.704 4.965 0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.234 7.529 -0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 124 22.542 7.808 1.260 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.793 7.510 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 124 24.156 5.899 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 26.193 5.834 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.896 5.267 -0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.514 6.827 -0.431 1.00 0.00 H new ATOM 1978 N LYS A 125 18.030 6.229 -1.860 1.00 0.00 N ATOM 1979 CA LYS A 125 17.167 6.305 -3.032 1.00 0.00 C ATOM 1980 C LYS A 125 17.947 5.989 -4.304 1.00 0.00 C ATOM 1981 O LYS A 125 17.624 6.487 -5.383 1.00 0.00 O ATOM 1982 CB LYS A 125 16.539 7.697 -3.139 1.00 0.00 C ATOM 1983 CG LYS A 125 15.559 8.010 -2.021 1.00 0.00 C ATOM 1984 CD LYS A 125 14.357 7.082 -2.057 1.00 0.00 C ATOM 1985 CE LYS A 125 13.215 7.615 -1.207 1.00 0.00 C ATOM 1986 NZ LYS A 125 13.293 7.126 0.197 1.00 0.00 N ATOM 0 H LYS A 125 17.734 5.546 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 125 16.376 5.564 -2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.332 8.445 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 125 16.024 7.782 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 125 16.062 7.918 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 125 15.224 9.044 -2.108 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.020 6.962 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.648 6.094 -1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.236 8.705 -1.214 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.264 7.311 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.940 7.862 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.712 6.269 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.281 6.904 0.433 1.00 0.00 H new ATOM 2000 N LYS A 126 18.974 5.157 -4.171 1.00 0.00 N ATOM 2001 CA LYS A 126 19.799 4.771 -5.310 1.00 0.00 C ATOM 2002 C LYS A 126 18.933 4.311 -6.478 1.00 0.00 C ATOM 2003 O LYS A 126 18.853 4.983 -7.507 1.00 0.00 O ATOM 2004 CB LYS A 126 20.768 3.657 -4.909 1.00 0.00 C ATOM 2005 CG LYS A 126 22.093 4.167 -4.371 1.00 0.00 C ATOM 2006 CD LYS A 126 23.047 3.025 -4.061 1.00 0.00 C ATOM 2007 CE LYS A 126 23.821 2.595 -5.297 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.009 3.460 -5.537 1.00 0.00 N ATOM 0 H LYS A 126 19.255 4.737 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 126 20.370 5.644 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.295 3.031 -4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.957 3.023 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.550 4.836 -5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.919 4.752 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.745 3.333 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.486 2.177 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 126 24.143 1.560 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.165 2.630 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.509 3.134 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.700 4.444 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.648 3.407 -4.718 1.00 0.00 H new ATOM 2022 N TYR A 127 18.286 3.163 -6.312 1.00 0.00 N ATOM 2023 CA TYR A 127 17.427 2.612 -7.354 1.00 0.00 C ATOM 2024 C TYR A 127 16.026 3.212 -7.277 1.00 0.00 C ATOM 2025 O TYR A 127 15.030 2.519 -7.484 1.00 0.00 O ATOM 2026 CB TYR A 127 17.350 1.090 -7.229 1.00 0.00 C ATOM 2027 CG TYR A 127 18.673 0.443 -6.888 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.131 0.402 -5.577 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.466 -0.127 -7.876 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.339 -0.188 -5.260 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.675 -0.720 -7.569 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.108 -0.748 -6.260 1.00 0.00 C ATOM 2033 OH TYR A 127 22.312 -1.337 -5.949 1.00 0.00 O ATOM 0 H TYR A 127 18.340 2.596 -5.466 1.00 0.00 H new ATOM 0 HA TYR A 127 17.860 2.868 -8.321 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.621 0.833 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 127 16.983 0.675 -8.168 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.532 0.839 -4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.131 -0.106 -8.903 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.680 -0.211 -4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.278 -1.159 -8.350 1.00 0.00 H new ATOM 0 HH TYR A 127 22.727 -1.683 -6.766 1.00 0.00 H new ATOM 2043 N TYR A 128 15.958 4.504 -6.979 1.00 0.00 N ATOM 2044 CA TYR A 128 14.680 5.198 -6.872 1.00 0.00 C ATOM 2045 C TYR A 128 14.374 5.973 -8.150 1.00 0.00 C ATOM 2046 O TYR A 128 15.131 6.858 -8.550 1.00 0.00 O ATOM 2047 CB TYR A 128 14.691 6.150 -5.675 1.00 0.00 C ATOM 2048 CG TYR A 128 13.339 6.755 -5.370 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.314 5.982 -4.842 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.089 8.101 -5.610 1.00 0.00 C ATOM 2051 CE1 TYR A 128 11.077 6.530 -4.562 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.855 8.658 -5.332 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.853 7.868 -4.809 1.00 0.00 C ATOM 2054 OH TYR A 128 9.622 8.419 -4.531 1.00 0.00 O ATOM 0 H TYR A 128 16.773 5.093 -6.807 1.00 0.00 H new ATOM 0 HA TYR A 128 13.900 4.451 -6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 128 15.045 5.611 -4.796 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.404 6.952 -5.866 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.486 4.934 -4.647 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.872 8.722 -6.020 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.290 5.914 -4.152 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.677 9.706 -5.523 1.00 0.00 H new ATOM 0 HH TYR A 128 9.630 9.371 -4.761 1.00 0.00 H new ATOM 2064 N ASP A 129 13.257 5.636 -8.785 1.00 0.00 N ATOM 2065 CA ASP A 129 12.847 6.300 -10.017 1.00 0.00 C ATOM 2066 C ASP A 129 11.916 7.471 -9.719 1.00 0.00 C ATOM 2067 O ASP A 129 10.739 7.280 -9.415 1.00 0.00 O ATOM 2068 CB ASP A 129 12.155 5.307 -10.951 1.00 0.00 C ATOM 2069 CG ASP A 129 12.035 5.831 -12.369 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.256 6.783 -12.585 1.00 0.00 O ATOM 2071 OD2 ASP A 129 12.720 5.290 -13.262 1.00 0.00 O ATOM 0 H ASP A 129 12.619 4.907 -8.467 1.00 0.00 H new ATOM 0 HA ASP A 129 13.741 6.685 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.713 4.371 -10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.161 5.082 -10.565 1.00 0.00 H new