USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 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 32 THR OG1 : rot -96:sc= 0.358 USER MOD Set 1.2: A 34 HIS : no HE2:sc= -0.473 K(o=-0.12,f=-0.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.47 K(o=-0.47,f=-3.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.974 USER MOD Single : A 38 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.4!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 120:sc=-0.00409 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -27:sc= 0.965 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 157:sc= -7.48! (180deg=-9.23!) USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.429) USER MOD Single : A 81 MET CE :methyl 151:sc= -0.792 (180deg=-0.912) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 26:sc= 0.119 USER MOD Single : A 85 TYR OH : rot -33:sc= 0.932 USER MOD Single : A 86 TYR OH : rot 23:sc= -4.88! USER MOD Single : A 87 SER OG : rot 108:sc= 0.331 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -1.94 K(o=-1.9,f=-7.5!) USER MOD Single : A 93 GLN : amide:sc= -0.245 K(o=-0.25,f=-1.2!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 103 GLN : amide:sc=-0.00718 K(o=-0.0072,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.708 8.070 -3.635 1.00 0.00 N ATOM 201 CA LEU A 17 0.958 6.641 -3.547 1.00 0.00 C ATOM 202 C LEU A 17 -0.192 5.885 -4.216 1.00 0.00 C ATOM 203 O LEU A 17 -1.360 6.154 -3.940 1.00 0.00 O ATOM 204 CB LEU A 17 1.202 6.228 -2.094 1.00 0.00 C ATOM 205 CG LEU A 17 1.007 4.744 -1.777 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.303 3.962 -1.994 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.452 4.555 -0.364 1.00 0.00 C ATOM 0 HA LEU A 17 1.869 6.380 -4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.221 6.506 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.534 6.806 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 17 0.269 4.340 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.137 2.910 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.617 4.059 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.081 4.359 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.322 3.492 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.148 4.979 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.510 5.060 -0.281 1.00 0.00 H new ATOM 219 N VAL A 18 0.179 4.955 -5.084 1.00 0.00 N ATOM 220 CA VAL A 18 -0.806 4.158 -5.794 1.00 0.00 C ATOM 221 C VAL A 18 -0.584 2.678 -5.477 1.00 0.00 C ATOM 222 O VAL A 18 0.470 2.125 -5.786 1.00 0.00 O ATOM 223 CB VAL A 18 -0.745 4.465 -7.292 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.731 3.591 -8.071 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.999 5.950 -7.559 1.00 0.00 C ATOM 0 H VAL A 18 1.149 4.736 -5.311 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.813 4.413 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 18 0.260 4.230 -7.641 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.668 3.829 -9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.484 2.540 -7.919 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.744 3.781 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.950 6.141 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.986 6.223 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.242 6.546 -7.050 1.00 0.00 H new ATOM 235 N ILE A 19 -1.595 2.079 -4.865 1.00 0.00 N ATOM 236 CA ILE A 19 -1.523 0.674 -4.502 1.00 0.00 C ATOM 237 C ILE A 19 -2.298 -0.154 -5.530 1.00 0.00 C ATOM 238 O ILE A 19 -3.457 0.137 -5.819 1.00 0.00 O ATOM 239 CB ILE A 19 -1.997 0.467 -3.063 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.053 1.149 -2.071 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.176 -1.021 -2.753 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.737 1.361 -0.719 1.00 0.00 C ATOM 0 H ILE A 19 -2.468 2.541 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.490 0.327 -4.525 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.974 0.939 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.158 0.541 -1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.729 2.109 -2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.514 -1.140 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.917 -1.447 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.225 -1.537 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.044 1.847 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.618 1.990 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.038 0.397 -0.308 1.00 0.00 H new ATOM 254 N ARG A 20 -1.625 -1.168 -6.054 1.00 0.00 N ATOM 255 CA ARG A 20 -2.236 -2.040 -7.043 1.00 0.00 C ATOM 256 C ARG A 20 -2.603 -3.384 -6.411 1.00 0.00 C ATOM 257 O ARG A 20 -1.735 -4.226 -6.185 1.00 0.00 O ATOM 258 CB ARG A 20 -1.293 -2.279 -8.223 1.00 0.00 C ATOM 259 CG ARG A 20 -1.649 -3.575 -8.956 1.00 0.00 C ATOM 260 CD ARG A 20 -0.905 -3.673 -10.289 1.00 0.00 C ATOM 261 NE ARG A 20 -1.597 -4.625 -11.186 1.00 0.00 N ATOM 262 CZ ARG A 20 -1.379 -5.947 -11.190 1.00 0.00 C ATOM 263 NH1 ARG A 20 -0.487 -6.482 -10.346 1.00 0.00 N ATOM 264 NH2 ARG A 20 -2.054 -6.735 -12.039 1.00 0.00 N ATOM 0 H ARG A 20 -0.663 -1.405 -5.812 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.138 -1.548 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.350 -1.438 -8.915 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.264 -2.329 -7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.397 -4.432 -8.331 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.724 -3.614 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.852 -2.691 -10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.121 -4.000 -10.119 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.283 -4.251 -11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.027 -5.883 -9.700 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.322 -7.488 -10.350 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.733 -6.328 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.888 -7.741 -12.042 1.00 0.00 H new ATOM 278 N ILE A 21 -3.891 -3.545 -6.145 1.00 0.00 N ATOM 279 CA ILE A 21 -4.384 -4.773 -5.544 1.00 0.00 C ATOM 280 C ILE A 21 -4.557 -5.834 -6.632 1.00 0.00 C ATOM 281 O ILE A 21 -5.340 -5.652 -7.563 1.00 0.00 O ATOM 282 CB ILE A 21 -5.657 -4.502 -4.740 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.356 -3.650 -3.506 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.363 -5.810 -4.375 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.815 -2.205 -3.713 1.00 0.00 C ATOM 0 H ILE A 21 -4.608 -2.845 -6.335 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.661 -5.165 -4.829 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.341 -3.930 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.857 -4.074 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.286 -3.669 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.265 -5.590 -3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.632 -6.345 -5.286 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.696 -6.429 -3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.589 -1.620 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.294 -1.777 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.889 -2.187 -3.896 1.00 0.00 H new ATOM 297 N LYS A 22 -3.813 -6.920 -6.479 1.00 0.00 N ATOM 298 CA LYS A 22 -3.875 -8.010 -7.437 1.00 0.00 C ATOM 299 C LYS A 22 -5.251 -8.674 -7.360 1.00 0.00 C ATOM 300 O LYS A 22 -5.658 -9.146 -6.299 1.00 0.00 O ATOM 301 CB LYS A 22 -2.711 -8.980 -7.220 1.00 0.00 C ATOM 302 CG LYS A 22 -1.703 -8.892 -8.367 1.00 0.00 C ATOM 303 CD LYS A 22 -2.395 -9.069 -9.720 1.00 0.00 C ATOM 304 CE LYS A 22 -1.619 -10.043 -10.609 1.00 0.00 C ATOM 305 NZ LYS A 22 -2.551 -10.897 -11.379 1.00 0.00 N ATOM 0 H LYS A 22 -3.164 -7.068 -5.706 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.760 -7.632 -8.453 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.215 -8.753 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.091 -9.999 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.196 -7.927 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.938 -9.658 -8.243 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.409 -9.438 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.479 -8.103 -10.219 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.976 -9.488 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.969 -10.666 -9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.008 -11.552 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.147 -11.441 -10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.154 -10.299 -11.979 1.00 0.00 H new ATOM 319 N ILE A 23 -5.930 -8.690 -8.497 1.00 0.00 N ATOM 320 CA ILE A 23 -7.252 -9.288 -8.572 1.00 0.00 C ATOM 321 C ILE A 23 -7.134 -10.708 -9.128 1.00 0.00 C ATOM 322 O ILE A 23 -6.338 -10.960 -10.032 1.00 0.00 O ATOM 323 CB ILE A 23 -8.201 -8.392 -9.370 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.126 -6.943 -8.883 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.631 -8.935 -9.331 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.227 -6.649 -7.862 1.00 0.00 C ATOM 0 H ILE A 23 -5.589 -8.298 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.690 -9.370 -7.577 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.882 -8.399 -10.412 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.150 -6.757 -8.434 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.222 -6.265 -9.731 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.285 -8.279 -9.906 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.652 -9.936 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.976 -8.977 -8.298 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.150 -5.613 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.202 -6.813 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.114 -7.312 -7.004 1.00 0.00 H new ATOM 338 N PRO A 24 -7.959 -11.622 -8.551 1.00 0.00 N ATOM 339 CA PRO A 24 -7.954 -13.010 -8.980 1.00 0.00 C ATOM 340 C PRO A 24 -8.663 -13.171 -10.327 1.00 0.00 C ATOM 341 O PRO A 24 -9.840 -12.838 -10.456 1.00 0.00 O ATOM 342 CB PRO A 24 -8.637 -13.772 -7.855 1.00 0.00 C ATOM 343 CG PRO A 24 -9.409 -12.733 -7.058 1.00 0.00 C ATOM 344 CD PRO A 24 -8.914 -11.359 -7.479 1.00 0.00 C ATOM 0 HA PRO A 24 -6.948 -13.394 -9.150 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.305 -14.537 -8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.905 -14.281 -7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.479 -12.827 -7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.257 -12.882 -5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.735 -10.731 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.442 -10.836 -6.647 1.00 0.00 H new ATOM 352 N ASN A 25 -7.915 -13.679 -11.295 1.00 0.00 N ATOM 353 CA ASN A 25 -8.457 -13.888 -12.627 1.00 0.00 C ATOM 354 C ASN A 25 -9.355 -12.705 -12.999 1.00 0.00 C ATOM 355 O ASN A 25 -10.578 -12.830 -13.009 1.00 0.00 O ATOM 356 CB ASN A 25 -9.304 -15.161 -12.685 1.00 0.00 C ATOM 357 CG ASN A 25 -9.661 -15.517 -14.129 1.00 0.00 C ATOM 358 OD1 ASN A 25 -9.712 -14.674 -15.009 1.00 0.00 O ATOM 359 ND2 ASN A 25 -9.904 -16.810 -14.323 1.00 0.00 N ATOM 0 H ASN A 25 -6.939 -13.952 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.621 -13.980 -13.320 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.758 -15.986 -12.228 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.216 -15.022 -12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.151 -17.149 -15.253 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.844 -17.463 -13.542 1.00 0.00 H new ATOM 366 N SER A 26 -8.711 -11.586 -13.295 1.00 0.00 N ATOM 367 CA SER A 26 -9.436 -10.382 -13.666 1.00 0.00 C ATOM 368 C SER A 26 -8.459 -9.317 -14.168 1.00 0.00 C ATOM 369 O SER A 26 -8.421 -9.017 -15.360 1.00 0.00 O ATOM 370 CB SER A 26 -10.250 -9.844 -12.488 1.00 0.00 C ATOM 371 OG SER A 26 -11.651 -9.896 -12.738 1.00 0.00 O ATOM 0 H SER A 26 -7.696 -11.487 -13.286 1.00 0.00 H new ATOM 0 HA SER A 26 -10.131 -10.634 -14.467 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.020 -10.423 -11.594 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.956 -8.814 -12.285 1.00 0.00 H new ATOM 0 HG SER A 26 -12.135 -9.545 -11.961 1.00 0.00 H new ATOM 377 N GLY A 27 -7.694 -8.774 -13.233 1.00 0.00 N ATOM 378 CA GLY A 27 -6.720 -7.748 -13.565 1.00 0.00 C ATOM 379 C GLY A 27 -6.086 -7.164 -12.301 1.00 0.00 C ATOM 380 O GLY A 27 -5.267 -7.815 -11.654 1.00 0.00 O ATOM 0 H GLY A 27 -7.729 -9.025 -12.245 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.944 -8.171 -14.203 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.203 -6.954 -14.134 1.00 0.00 H new ATOM 384 N ALA A 28 -6.489 -5.941 -11.987 1.00 0.00 N ATOM 385 CA ALA A 28 -5.971 -5.261 -10.812 1.00 0.00 C ATOM 386 C ALA A 28 -6.616 -3.878 -10.703 1.00 0.00 C ATOM 387 O ALA A 28 -7.069 -3.320 -11.701 1.00 0.00 O ATOM 388 CB ALA A 28 -4.445 -5.189 -10.895 1.00 0.00 C ATOM 0 H ALA A 28 -7.168 -5.404 -12.526 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.222 -5.814 -9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.056 -4.679 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.035 -6.198 -10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.155 -4.639 -11.790 1.00 0.00 H new ATOM 394 N VAL A 29 -6.636 -3.365 -9.482 1.00 0.00 N ATOM 395 CA VAL A 29 -7.218 -2.057 -9.229 1.00 0.00 C ATOM 396 C VAL A 29 -6.178 -1.164 -8.549 1.00 0.00 C ATOM 397 O VAL A 29 -5.378 -1.639 -7.744 1.00 0.00 O ATOM 398 CB VAL A 29 -8.504 -2.205 -8.415 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.957 -0.855 -7.855 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.611 -2.851 -9.250 1.00 0.00 C ATOM 0 H VAL A 29 -6.259 -3.831 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.497 -1.575 -10.166 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.293 -2.864 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.874 -0.989 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.179 -0.450 -7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.142 -0.164 -8.677 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.514 -2.944 -8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.819 -2.230 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.290 -3.840 -9.578 1.00 0.00 H new ATOM 410 N ASP A 30 -6.224 0.114 -8.896 1.00 0.00 N ATOM 411 CA ASP A 30 -5.296 1.077 -8.328 1.00 0.00 C ATOM 412 C ASP A 30 -6.035 1.956 -7.318 1.00 0.00 C ATOM 413 O ASP A 30 -6.994 2.641 -7.670 1.00 0.00 O ATOM 414 CB ASP A 30 -4.716 1.988 -9.412 1.00 0.00 C ATOM 415 CG ASP A 30 -5.583 3.196 -9.773 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.648 2.968 -10.386 1.00 0.00 O ATOM 417 OD2 ASP A 30 -5.161 4.321 -9.427 1.00 0.00 O ATOM 0 H ASP A 30 -6.889 0.505 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.487 0.525 -7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.741 2.345 -9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.550 1.396 -10.312 1.00 0.00 H new ATOM 422 N TRP A 31 -5.561 1.908 -6.081 1.00 0.00 N ATOM 423 CA TRP A 31 -6.165 2.691 -5.017 1.00 0.00 C ATOM 424 C TRP A 31 -5.368 3.989 -4.875 1.00 0.00 C ATOM 425 O TRP A 31 -4.246 3.981 -4.370 1.00 0.00 O ATOM 426 CB TRP A 31 -6.236 1.887 -3.717 1.00 0.00 C ATOM 427 CG TRP A 31 -6.547 2.732 -2.480 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.243 3.875 -2.414 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.142 2.451 -1.123 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.316 4.350 -1.121 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.624 3.456 -0.310 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.392 1.383 -0.600 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.411 3.493 1.073 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.187 1.434 0.784 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.666 2.439 1.616 1.00 0.00 C ATOM 0 H TRP A 31 -4.765 1.339 -5.792 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.198 2.941 -5.260 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.000 1.116 -3.820 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.285 1.375 -3.566 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.691 4.363 -3.267 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.790 5.200 -0.816 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.005 0.586 -1.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.800 4.291 1.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.617 0.636 1.237 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.465 2.407 2.677 1.00 0.00 H new ATOM 446 N THR A 32 -5.979 5.074 -5.328 1.00 0.00 N ATOM 447 CA THR A 32 -5.340 6.377 -5.258 1.00 0.00 C ATOM 448 C THR A 32 -5.154 6.802 -3.800 1.00 0.00 C ATOM 449 O THR A 32 -6.108 7.220 -3.145 1.00 0.00 O ATOM 450 CB THR A 32 -6.180 7.360 -6.075 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.495 8.602 -5.934 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.552 7.619 -5.450 1.00 0.00 C ATOM 0 H THR A 32 -6.910 5.077 -5.745 1.00 0.00 H new ATOM 0 HA THR A 32 -4.338 6.350 -5.686 1.00 0.00 H new ATOM 0 HB THR A 32 -6.309 6.974 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.902 9.120 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.107 8.323 -6.070 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.104 6.682 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.424 8.037 -4.451 1.00 0.00 H new ATOM 460 N VAL A 33 -3.920 6.680 -3.334 1.00 0.00 N ATOM 461 CA VAL A 33 -3.597 7.047 -1.965 1.00 0.00 C ATOM 462 C VAL A 33 -2.784 8.342 -1.966 1.00 0.00 C ATOM 463 O VAL A 33 -1.761 8.436 -2.643 1.00 0.00 O ATOM 464 CB VAL A 33 -2.878 5.889 -1.270 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.491 6.265 0.162 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.731 4.620 -1.292 1.00 0.00 C ATOM 0 H VAL A 33 -3.132 6.332 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.507 7.237 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.961 5.685 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.982 5.425 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.826 7.129 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.389 6.510 0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.196 3.813 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.673 4.806 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.933 4.335 -2.325 1.00 0.00 H new ATOM 476 N HIS A 34 -3.269 9.309 -1.202 1.00 0.00 N ATOM 477 CA HIS A 34 -2.600 10.595 -1.107 1.00 0.00 C ATOM 478 C HIS A 34 -1.809 10.667 0.201 1.00 0.00 C ATOM 479 O HIS A 34 -0.710 11.217 0.236 1.00 0.00 O ATOM 480 CB HIS A 34 -3.602 11.742 -1.256 1.00 0.00 C ATOM 481 CG HIS A 34 -4.398 11.698 -2.539 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.656 12.825 -3.299 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.988 10.653 -3.187 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.371 12.463 -4.354 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.576 11.117 -4.282 1.00 0.00 N ATOM 0 H HIS A 34 -4.118 9.228 -0.643 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.890 10.700 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.291 11.721 -0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.065 12.689 -1.206 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.348 13.773 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.978 9.623 -2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.729 13.119 -5.134 1.00 0.00 H new ATOM 493 N SER A 35 -2.399 10.101 1.244 1.00 0.00 N ATOM 494 CA SER A 35 -1.763 10.094 2.550 1.00 0.00 C ATOM 495 C SER A 35 -0.842 8.879 2.677 1.00 0.00 C ATOM 496 O SER A 35 -0.990 8.076 3.597 1.00 0.00 O ATOM 497 CB SER A 35 -2.805 10.088 3.670 1.00 0.00 C ATOM 498 OG SER A 35 -2.995 11.385 4.229 1.00 0.00 O ATOM 0 H SER A 35 -3.310 9.644 1.211 1.00 0.00 H new ATOM 0 HA SER A 35 -1.170 11.004 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.754 9.718 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.491 9.398 4.453 1.00 0.00 H new ATOM 0 HG SER A 35 -3.669 11.340 4.939 1.00 0.00 H new ATOM 504 N GLY A 36 0.089 8.781 1.739 1.00 0.00 N ATOM 505 CA GLY A 36 1.034 7.677 1.734 1.00 0.00 C ATOM 506 C GLY A 36 1.588 7.424 3.137 1.00 0.00 C ATOM 507 O GLY A 36 1.534 6.302 3.637 1.00 0.00 O ATOM 0 H GLY A 36 0.209 9.448 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.544 6.776 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.853 7.898 1.050 1.00 0.00 H new ATOM 511 N PRO A 37 2.124 8.515 3.749 1.00 0.00 N ATOM 512 CA PRO A 37 2.688 8.422 5.085 1.00 0.00 C ATOM 513 C PRO A 37 1.585 8.328 6.141 1.00 0.00 C ATOM 514 O PRO A 37 1.777 7.719 7.192 1.00 0.00 O ATOM 515 CB PRO A 37 3.550 9.665 5.235 1.00 0.00 C ATOM 516 CG PRO A 37 3.073 10.635 4.166 1.00 0.00 C ATOM 517 CD PRO A 37 2.206 9.860 3.187 1.00 0.00 C ATOM 0 HA PRO A 37 3.284 7.520 5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.443 10.097 6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.605 9.427 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.506 11.450 4.616 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.923 11.084 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.218 10.310 3.091 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.648 9.847 2.191 1.00 0.00 H new ATOM 525 N GLN A 38 0.453 8.940 5.824 1.00 0.00 N ATOM 526 CA GLN A 38 -0.681 8.933 6.732 1.00 0.00 C ATOM 527 C GLN A 38 -1.667 7.830 6.342 1.00 0.00 C ATOM 528 O GLN A 38 -2.862 8.084 6.198 1.00 0.00 O ATOM 529 CB GLN A 38 -1.369 10.299 6.760 1.00 0.00 C ATOM 530 CG GLN A 38 -2.642 10.255 7.609 1.00 0.00 C ATOM 531 CD GLN A 38 -2.829 11.560 8.385 1.00 0.00 C ATOM 532 OE1 GLN A 38 -2.210 12.573 8.105 1.00 0.00 O ATOM 533 NE2 GLN A 38 -3.715 11.479 9.374 1.00 0.00 N ATOM 0 H GLN A 38 0.297 9.444 4.951 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.315 8.727 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.685 11.046 7.162 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.616 10.607 5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.506 10.083 6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.590 9.418 8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.199 10.599 9.555 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.911 12.297 9.952 1.00 0.00 H new ATOM 542 N LEU A 39 -1.130 6.630 6.181 1.00 0.00 N ATOM 543 CA LEU A 39 -1.948 5.488 5.810 1.00 0.00 C ATOM 544 C LEU A 39 -1.887 4.439 6.923 1.00 0.00 C ATOM 545 O LEU A 39 -0.831 4.217 7.514 1.00 0.00 O ATOM 546 CB LEU A 39 -1.531 4.953 4.439 1.00 0.00 C ATOM 547 CG LEU A 39 -2.335 3.764 3.910 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.789 4.159 3.644 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.669 3.159 2.672 1.00 0.00 C ATOM 0 H LEU A 39 -0.138 6.424 6.301 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.992 5.785 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.604 5.766 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.481 4.663 4.488 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.348 2.991 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.338 3.295 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.247 4.506 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.819 4.958 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.261 2.316 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.605 3.914 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.667 2.816 2.929 1.00 0.00 H new ATOM 561 N LEU A 40 -3.032 3.823 7.175 1.00 0.00 N ATOM 562 CA LEU A 40 -3.122 2.803 8.206 1.00 0.00 C ATOM 563 C LEU A 40 -3.475 1.462 7.561 1.00 0.00 C ATOM 564 O LEU A 40 -3.925 1.418 6.417 1.00 0.00 O ATOM 565 CB LEU A 40 -4.099 3.235 9.302 1.00 0.00 C ATOM 566 CG LEU A 40 -3.625 4.368 10.215 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.752 4.837 11.137 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.377 3.955 10.999 1.00 0.00 C ATOM 0 H LEU A 40 -3.906 4.010 6.683 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.159 2.675 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.032 3.542 8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.326 2.367 9.921 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.346 5.216 9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.389 5.642 11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.587 5.198 10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.085 4.005 11.757 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.061 4.778 11.640 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.605 3.084 11.613 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.575 3.709 10.303 1.00 0.00 H new ATOM 580 N PHE A 41 -3.258 0.400 8.323 1.00 0.00 N ATOM 581 CA PHE A 41 -3.547 -0.940 7.841 1.00 0.00 C ATOM 582 C PHE A 41 -5.034 -1.096 7.515 1.00 0.00 C ATOM 583 O PHE A 41 -5.393 -1.456 6.395 1.00 0.00 O ATOM 584 CB PHE A 41 -3.180 -1.910 8.965 1.00 0.00 C ATOM 585 CG PHE A 41 -3.355 -3.385 8.597 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.707 -3.897 7.517 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.158 -4.183 9.350 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.870 -5.266 7.175 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.321 -5.551 9.008 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.674 -6.064 7.928 1.00 0.00 C ATOM 0 H PHE A 41 -2.885 0.440 9.272 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.979 -1.138 6.932 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.143 -1.739 9.254 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.795 -1.688 9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.069 -3.263 6.919 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.672 -3.776 10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.356 -5.673 6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.959 -6.185 9.606 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.798 -7.105 7.668 1.00 0.00 H new ATOM 600 N ARG A 42 -5.859 -0.817 8.513 1.00 0.00 N ATOM 601 CA ARG A 42 -7.298 -0.921 8.347 1.00 0.00 C ATOM 602 C ARG A 42 -7.726 -0.293 7.019 1.00 0.00 C ATOM 603 O ARG A 42 -8.415 -0.927 6.222 1.00 0.00 O ATOM 604 CB ARG A 42 -8.037 -0.228 9.493 1.00 0.00 C ATOM 605 CG ARG A 42 -7.626 -0.815 10.845 1.00 0.00 C ATOM 606 CD ARG A 42 -7.780 -2.337 10.852 1.00 0.00 C ATOM 607 NE ARG A 42 -8.161 -2.801 12.204 1.00 0.00 N ATOM 608 CZ ARG A 42 -7.286 -3.029 13.194 1.00 0.00 C ATOM 609 NH1 ARG A 42 -5.976 -2.837 12.988 1.00 0.00 N ATOM 610 NH2 ARG A 42 -7.721 -3.449 14.389 1.00 0.00 N ATOM 0 H ARG A 42 -5.558 -0.519 9.441 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.556 -1.980 8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.822 0.840 9.476 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.113 -0.339 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.591 -0.550 11.061 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.238 -0.380 11.635 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.538 -2.637 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.845 -2.807 10.547 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.151 -2.957 12.395 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.644 -2.517 12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.310 -3.010 13.741 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.718 -3.596 14.546 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.055 -3.622 15.142 1.00 0.00 H new ATOM 624 N ASP A 43 -7.300 0.946 6.823 1.00 0.00 N ATOM 625 CA ASP A 43 -7.630 1.667 5.606 1.00 0.00 C ATOM 626 C ASP A 43 -7.526 0.717 4.411 1.00 0.00 C ATOM 627 O ASP A 43 -8.432 0.655 3.582 1.00 0.00 O ATOM 628 CB ASP A 43 -6.661 2.828 5.373 1.00 0.00 C ATOM 629 CG ASP A 43 -7.112 4.172 5.950 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.397 4.200 7.166 1.00 0.00 O ATOM 631 OD2 ASP A 43 -7.160 5.140 5.161 1.00 0.00 O ATOM 0 H ASP A 43 -6.729 1.469 7.487 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.642 2.058 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.696 2.569 5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.507 2.943 4.300 1.00 0.00 H new ATOM 636 N VAL A 44 -6.412 0.001 4.361 1.00 0.00 N ATOM 637 CA VAL A 44 -6.177 -0.943 3.282 1.00 0.00 C ATOM 638 C VAL A 44 -7.324 -1.955 3.236 1.00 0.00 C ATOM 639 O VAL A 44 -7.888 -2.211 2.174 1.00 0.00 O ATOM 640 CB VAL A 44 -4.806 -1.600 3.450 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.544 -2.617 2.337 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.696 -0.548 3.504 1.00 0.00 C ATOM 0 H VAL A 44 -5.662 0.056 5.051 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.160 -0.428 2.322 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.806 -2.136 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.563 -3.069 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.309 -3.393 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.574 -2.114 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.732 -1.042 3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.696 0.029 2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.869 0.120 4.348 1.00 0.00 H new ATOM 652 N LEU A 45 -7.634 -2.502 4.402 1.00 0.00 N ATOM 653 CA LEU A 45 -8.703 -3.480 4.509 1.00 0.00 C ATOM 654 C LEU A 45 -10.035 -2.815 4.154 1.00 0.00 C ATOM 655 O LEU A 45 -10.893 -3.432 3.525 1.00 0.00 O ATOM 656 CB LEU A 45 -8.693 -4.137 5.891 1.00 0.00 C ATOM 657 CG LEU A 45 -7.456 -4.973 6.227 1.00 0.00 C ATOM 658 CD1 LEU A 45 -7.119 -5.936 5.086 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.271 -4.077 6.590 1.00 0.00 C ATOM 0 H LEU A 45 -7.164 -2.286 5.281 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.550 -4.290 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.794 -3.355 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.572 -4.776 5.974 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.681 -5.579 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.236 -6.518 5.350 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.960 -6.609 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.921 -5.368 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.405 -4.696 6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.035 -3.427 5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.527 -3.468 7.457 1.00 0.00 H new ATOM 671 N ASP A 46 -10.165 -1.565 4.573 1.00 0.00 N ATOM 672 CA ASP A 46 -11.377 -0.809 4.308 1.00 0.00 C ATOM 673 C ASP A 46 -11.559 -0.659 2.796 1.00 0.00 C ATOM 674 O ASP A 46 -12.684 -0.659 2.299 1.00 0.00 O ATOM 675 CB ASP A 46 -11.297 0.593 4.915 1.00 0.00 C ATOM 676 CG ASP A 46 -11.955 0.741 6.288 1.00 0.00 C ATOM 677 OD1 ASP A 46 -11.375 0.205 7.257 1.00 0.00 O ATOM 678 OD2 ASP A 46 -13.024 1.387 6.339 1.00 0.00 O ATOM 0 H ASP A 46 -9.451 -1.057 5.094 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.213 -1.347 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.248 0.877 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.764 1.298 4.227 1.00 0.00 H new ATOM 683 N VAL A 47 -10.434 -0.535 2.107 1.00 0.00 N ATOM 684 CA VAL A 47 -10.455 -0.385 0.661 1.00 0.00 C ATOM 685 C VAL A 47 -10.626 -1.760 0.012 1.00 0.00 C ATOM 686 O VAL A 47 -11.602 -1.998 -0.697 1.00 0.00 O ATOM 687 CB VAL A 47 -9.194 0.345 0.193 1.00 0.00 C ATOM 688 CG1 VAL A 47 -9.201 0.531 -1.326 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.040 1.688 0.909 1.00 0.00 C ATOM 0 H VAL A 47 -9.502 -0.535 2.523 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.302 0.227 0.352 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.334 -0.272 0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.294 1.052 -1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.241 -0.444 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.073 1.117 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.136 2.186 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.906 2.315 0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.968 1.521 1.984 1.00 0.00 H new ATOM 699 N ILE A 48 -9.662 -2.629 0.279 1.00 0.00 N ATOM 700 CA ILE A 48 -9.694 -3.973 -0.270 1.00 0.00 C ATOM 701 C ILE A 48 -11.098 -4.557 -0.099 1.00 0.00 C ATOM 702 O ILE A 48 -11.622 -5.199 -1.008 1.00 0.00 O ATOM 703 CB ILE A 48 -8.591 -4.832 0.352 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.205 -4.297 -0.016 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.758 -6.304 -0.034 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.104 -5.122 0.653 1.00 0.00 C ATOM 0 H ILE A 48 -8.854 -2.428 0.868 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.486 -3.952 -1.340 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.682 -4.771 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.077 -4.322 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.120 -3.254 0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.961 -6.892 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.723 -6.666 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.708 -6.404 -1.118 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.129 -4.721 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.221 -5.075 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.176 -6.159 0.325 1.00 0.00 H new ATOM 718 N GLY A 49 -11.667 -4.313 1.072 1.00 0.00 N ATOM 719 CA GLY A 49 -13.000 -4.805 1.374 1.00 0.00 C ATOM 720 C GLY A 49 -13.977 -4.468 0.247 1.00 0.00 C ATOM 721 O GLY A 49 -14.971 -5.166 0.052 1.00 0.00 O ATOM 0 H GLY A 49 -11.229 -3.781 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.968 -5.884 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.351 -4.366 2.308 1.00 0.00 H new ATOM 725 N GLN A 50 -13.661 -3.398 -0.467 1.00 0.00 N ATOM 726 CA GLN A 50 -14.499 -2.959 -1.570 1.00 0.00 C ATOM 727 C GLN A 50 -14.063 -3.637 -2.871 1.00 0.00 C ATOM 728 O GLN A 50 -14.867 -3.810 -3.785 1.00 0.00 O ATOM 729 CB GLN A 50 -14.468 -1.436 -1.710 1.00 0.00 C ATOM 730 CG GLN A 50 -14.738 -0.756 -0.366 1.00 0.00 C ATOM 731 CD GLN A 50 -15.825 0.312 -0.499 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.979 0.030 -0.775 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.392 1.552 -0.289 1.00 0.00 N ATOM 0 H GLN A 50 -12.836 -2.822 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.527 -3.251 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.496 -1.122 -2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.214 -1.119 -2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.044 -1.502 0.368 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.820 -0.301 0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.412 1.718 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.040 2.337 -0.356 1.00 0.00 H new ATOM 742 N VAL A 51 -12.790 -4.004 -2.911 1.00 0.00 N ATOM 743 CA VAL A 51 -12.238 -4.660 -4.085 1.00 0.00 C ATOM 744 C VAL A 51 -12.627 -6.139 -4.067 1.00 0.00 C ATOM 745 O VAL A 51 -13.123 -6.666 -5.062 1.00 0.00 O ATOM 746 CB VAL A 51 -10.724 -4.440 -4.143 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.144 -4.966 -5.457 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.376 -2.964 -3.941 1.00 0.00 C ATOM 0 H VAL A 51 -12.126 -3.860 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.651 -4.226 -4.996 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.272 -5.005 -3.328 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.067 -4.797 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.345 -6.034 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.605 -4.442 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.295 -2.836 -3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.846 -2.369 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.740 -2.634 -2.968 1.00 0.00 H new ATOM 758 N LEU A 52 -12.387 -6.768 -2.926 1.00 0.00 N ATOM 759 CA LEU A 52 -12.706 -8.177 -2.766 1.00 0.00 C ATOM 760 C LEU A 52 -13.683 -8.344 -1.601 1.00 0.00 C ATOM 761 O LEU A 52 -13.288 -8.744 -0.507 1.00 0.00 O ATOM 762 CB LEU A 52 -11.427 -9.003 -2.619 1.00 0.00 C ATOM 763 CG LEU A 52 -10.626 -9.232 -3.903 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.922 -7.948 -4.347 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.645 -10.395 -3.736 1.00 0.00 C ATOM 0 H LEU A 52 -11.975 -6.328 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.203 -8.559 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.780 -8.509 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.691 -9.974 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.322 -9.508 -4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.360 -8.139 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.664 -7.172 -4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.239 -7.618 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.088 -10.537 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.951 -10.172 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.197 -11.305 -3.501 1.00 0.00 H new ATOM 777 N PRO A 53 -14.974 -8.022 -1.883 1.00 0.00 N ATOM 778 CA PRO A 53 -16.011 -8.133 -0.871 1.00 0.00 C ATOM 779 C PRO A 53 -16.392 -9.596 -0.634 1.00 0.00 C ATOM 780 O PRO A 53 -17.000 -9.927 0.383 1.00 0.00 O ATOM 781 CB PRO A 53 -17.166 -7.297 -1.398 1.00 0.00 C ATOM 782 CG PRO A 53 -16.914 -7.130 -2.887 1.00 0.00 C ATOM 783 CD PRO A 53 -15.479 -7.546 -3.167 1.00 0.00 C ATOM 0 HA PRO A 53 -15.687 -7.771 0.105 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.120 -7.791 -1.216 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.208 -6.329 -0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.608 -7.742 -3.463 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.077 -6.095 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.434 -8.328 -3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.889 -6.708 -3.539 1.00 0.00 H new ATOM 791 N GLU A 54 -16.018 -10.434 -1.590 1.00 0.00 N ATOM 792 CA GLU A 54 -16.312 -11.854 -1.498 1.00 0.00 C ATOM 793 C GLU A 54 -15.038 -12.641 -1.186 1.00 0.00 C ATOM 794 O GLU A 54 -15.055 -13.871 -1.155 1.00 0.00 O ATOM 795 CB GLU A 54 -16.970 -12.362 -2.783 1.00 0.00 C ATOM 796 CG GLU A 54 -17.617 -11.213 -3.559 1.00 0.00 C ATOM 797 CD GLU A 54 -18.858 -10.692 -2.832 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.931 -11.303 -3.031 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.707 -9.694 -2.095 1.00 0.00 O ATOM 0 H GLU A 54 -15.514 -10.157 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.018 -12.007 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.224 -12.853 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.724 -13.110 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -16.898 -10.404 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.892 -11.553 -4.558 1.00 0.00 H new ATOM 806 N ALA A 55 -13.963 -11.900 -0.963 1.00 0.00 N ATOM 807 CA ALA A 55 -12.682 -12.513 -0.654 1.00 0.00 C ATOM 808 C ALA A 55 -12.057 -11.802 0.547 1.00 0.00 C ATOM 809 O ALA A 55 -11.586 -10.671 0.428 1.00 0.00 O ATOM 810 CB ALA A 55 -11.783 -12.468 -1.891 1.00 0.00 C ATOM 0 H ALA A 55 -13.952 -10.880 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.813 -13.561 -0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.822 -12.928 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.259 -13.013 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.627 -11.431 -2.190 1.00 0.00 H new ATOM 816 N THR A 56 -12.072 -12.493 1.678 1.00 0.00 N ATOM 817 CA THR A 56 -11.513 -11.941 2.900 1.00 0.00 C ATOM 818 C THR A 56 -10.029 -11.622 2.711 1.00 0.00 C ATOM 819 O THR A 56 -9.347 -12.270 1.918 1.00 0.00 O ATOM 820 CB THR A 56 -11.781 -12.933 4.033 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.202 -13.038 4.074 1.00 0.00 O ATOM 822 CG2 THR A 56 -11.410 -12.369 5.406 1.00 0.00 C ATOM 0 H THR A 56 -12.463 -13.430 1.773 1.00 0.00 H new ATOM 0 HA THR A 56 -11.987 -10.994 3.159 1.00 0.00 H new ATOM 0 HB THR A 56 -11.219 -13.849 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.463 -13.664 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.620 -13.113 6.174 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.349 -12.120 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.996 -11.471 5.601 1.00 0.00 H new ATOM 830 N THR A 57 -9.571 -10.623 3.452 1.00 0.00 N ATOM 831 CA THR A 57 -8.180 -10.211 3.375 1.00 0.00 C ATOM 832 C THR A 57 -7.570 -10.130 4.776 1.00 0.00 C ATOM 833 O THR A 57 -6.904 -11.063 5.221 1.00 0.00 O ATOM 834 CB THR A 57 -8.121 -8.887 2.610 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.716 -9.188 1.350 1.00 0.00 O ATOM 836 CG2 THR A 57 -6.690 -8.478 2.258 1.00 0.00 C ATOM 0 H THR A 57 -10.139 -10.087 4.108 1.00 0.00 H new ATOM 0 HA THR A 57 -7.580 -10.943 2.834 1.00 0.00 H new ATOM 0 HB THR A 57 -8.587 -8.102 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.505 -8.622 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.705 -7.532 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.109 -8.363 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.235 -9.247 1.634 1.00 0.00 H new ATOM 844 N THR A 58 -7.820 -9.007 5.432 1.00 0.00 N ATOM 845 CA THR A 58 -7.304 -8.792 6.773 1.00 0.00 C ATOM 846 C THR A 58 -5.776 -8.866 6.774 1.00 0.00 C ATOM 847 O THR A 58 -5.158 -9.002 7.829 1.00 0.00 O ATOM 848 CB THR A 58 -7.962 -9.814 7.702 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.329 -9.412 7.747 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.487 -9.680 9.150 1.00 0.00 C ATOM 0 H THR A 58 -8.374 -8.235 5.060 1.00 0.00 H new ATOM 0 HA THR A 58 -7.550 -7.794 7.137 1.00 0.00 H new ATOM 0 HB THR A 58 -7.750 -10.821 7.342 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.831 -10.022 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.985 -10.428 9.767 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.409 -9.832 9.195 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.729 -8.684 9.522 1.00 0.00 H new ATOM 858 N ALA A 59 -5.210 -8.773 5.580 1.00 0.00 N ATOM 859 CA ALA A 59 -3.765 -8.828 5.430 1.00 0.00 C ATOM 860 C ALA A 59 -3.417 -8.989 3.949 1.00 0.00 C ATOM 861 O ALA A 59 -4.172 -9.597 3.192 1.00 0.00 O ATOM 862 CB ALA A 59 -3.206 -9.965 6.287 1.00 0.00 C ATOM 0 H ALA A 59 -5.725 -8.660 4.707 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.307 -7.902 5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.123 -10.006 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.456 -9.789 7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.641 -10.911 5.965 1.00 0.00 H new ATOM 868 N PHE A 60 -2.272 -8.432 3.580 1.00 0.00 N ATOM 869 CA PHE A 60 -1.814 -8.506 2.203 1.00 0.00 C ATOM 870 C PHE A 60 -0.304 -8.741 2.139 1.00 0.00 C ATOM 871 O PHE A 60 0.363 -8.798 3.171 1.00 0.00 O ATOM 872 CB PHE A 60 -2.137 -7.160 1.551 1.00 0.00 C ATOM 873 CG PHE A 60 -1.800 -5.950 2.425 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.622 -5.603 3.451 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.679 -5.221 2.175 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.310 -4.479 4.262 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.367 -4.098 2.985 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.189 -3.751 4.012 1.00 0.00 C ATOM 0 H PHE A 60 -1.649 -7.928 4.211 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.305 -9.334 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.589 -7.081 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.198 -7.133 1.304 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.512 -6.182 3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.026 -5.497 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.963 -4.203 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.523 -3.519 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.951 -2.897 4.629 1.00 0.00 H new ATOM 888 N GLU A 61 0.192 -8.873 0.917 1.00 0.00 N ATOM 889 CA GLU A 61 1.611 -9.101 0.706 1.00 0.00 C ATOM 890 C GLU A 61 2.160 -8.111 -0.324 1.00 0.00 C ATOM 891 O GLU A 61 1.412 -7.594 -1.153 1.00 0.00 O ATOM 892 CB GLU A 61 1.876 -10.544 0.274 1.00 0.00 C ATOM 893 CG GLU A 61 1.447 -11.530 1.363 1.00 0.00 C ATOM 894 CD GLU A 61 1.924 -12.947 1.039 1.00 0.00 C ATOM 895 OE1 GLU A 61 1.221 -13.616 0.252 1.00 0.00 O ATOM 896 OE2 GLU A 61 2.982 -13.329 1.585 1.00 0.00 O ATOM 0 H GLU A 61 -0.364 -8.826 0.063 1.00 0.00 H new ATOM 0 HA GLU A 61 2.130 -8.938 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.335 -10.757 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.936 -10.674 0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.855 -11.216 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.361 -11.521 1.459 1.00 0.00 H new ATOM 903 N TYR A 62 3.461 -7.877 -0.237 1.00 0.00 N ATOM 904 CA TYR A 62 4.119 -6.958 -1.151 1.00 0.00 C ATOM 905 C TYR A 62 5.580 -7.355 -1.370 1.00 0.00 C ATOM 906 O TYR A 62 6.316 -7.582 -0.411 1.00 0.00 O ATOM 907 CB TYR A 62 4.071 -5.586 -0.477 1.00 0.00 C ATOM 908 CG TYR A 62 5.269 -5.295 0.429 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.455 -4.848 -0.119 1.00 0.00 C ATOM 910 CD2 TYR A 62 5.165 -5.480 1.792 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.583 -4.574 0.733 1.00 0.00 C ATOM 912 CE2 TYR A 62 6.293 -5.207 2.644 1.00 0.00 C ATOM 913 CZ TYR A 62 7.447 -4.767 2.073 1.00 0.00 C ATOM 914 OH TYR A 62 8.512 -4.509 2.877 1.00 0.00 O ATOM 0 H TYR A 62 4.077 -8.308 0.452 1.00 0.00 H new ATOM 0 HA TYR A 62 3.625 -6.964 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.015 -4.816 -1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.157 -5.514 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.537 -4.704 -1.186 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.237 -5.830 2.220 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.516 -4.223 0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.225 -5.348 3.713 1.00 0.00 H new ATOM 0 HH TYR A 62 9.341 -4.622 2.368 1.00 0.00 H new ATOM 924 N GLU A 63 5.957 -7.426 -2.638 1.00 0.00 N ATOM 925 CA GLU A 63 7.317 -7.791 -2.996 1.00 0.00 C ATOM 926 C GLU A 63 8.307 -6.771 -2.428 1.00 0.00 C ATOM 927 O GLU A 63 8.071 -5.566 -2.499 1.00 0.00 O ATOM 928 CB GLU A 63 7.470 -7.918 -4.513 1.00 0.00 C ATOM 929 CG GLU A 63 7.178 -9.347 -4.975 1.00 0.00 C ATOM 930 CD GLU A 63 6.493 -9.351 -6.343 1.00 0.00 C ATOM 931 OE1 GLU A 63 5.862 -8.322 -6.665 1.00 0.00 O ATOM 932 OE2 GLU A 63 6.616 -10.385 -7.036 1.00 0.00 O ATOM 0 H GLU A 63 5.344 -7.237 -3.431 1.00 0.00 H new ATOM 0 HA GLU A 63 7.538 -8.765 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.791 -7.225 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.482 -7.637 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.108 -9.913 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.542 -9.847 -4.244 1.00 0.00 H new ATOM 939 N ASP A 64 9.394 -7.292 -1.878 1.00 0.00 N ATOM 940 CA ASP A 64 10.420 -6.442 -1.299 1.00 0.00 C ATOM 941 C ASP A 64 11.605 -6.352 -2.263 1.00 0.00 C ATOM 942 O ASP A 64 11.438 -6.499 -3.472 1.00 0.00 O ATOM 943 CB ASP A 64 10.929 -7.017 0.024 1.00 0.00 C ATOM 944 CG ASP A 64 11.340 -5.976 1.067 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.668 -4.923 1.112 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.317 -6.256 1.794 1.00 0.00 O ATOM 0 H ASP A 64 9.586 -8.292 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 64 9.983 -5.459 -1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.151 -7.649 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.785 -7.660 -0.182 1.00 0.00 H new ATOM 951 N GLU A 65 12.775 -6.111 -1.690 1.00 0.00 N ATOM 952 CA GLU A 65 13.988 -5.999 -2.483 1.00 0.00 C ATOM 953 C GLU A 65 14.172 -7.247 -3.349 1.00 0.00 C ATOM 954 O GLU A 65 14.282 -7.149 -4.570 1.00 0.00 O ATOM 955 CB GLU A 65 15.208 -5.766 -1.590 1.00 0.00 C ATOM 956 CG GLU A 65 15.975 -4.516 -2.025 1.00 0.00 C ATOM 957 CD GLU A 65 17.103 -4.195 -1.043 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.701 -5.166 -0.529 1.00 0.00 O ATOM 959 OE2 GLU A 65 17.342 -2.987 -0.827 1.00 0.00 O ATOM 0 H GLU A 65 12.909 -5.990 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 65 13.891 -5.135 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.889 -5.659 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.866 -6.634 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 65 16.388 -4.667 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.291 -3.669 -2.088 1.00 0.00 H new ATOM 966 N ASP A 66 14.200 -8.392 -2.683 1.00 0.00 N ATOM 967 CA ASP A 66 14.370 -9.657 -3.376 1.00 0.00 C ATOM 968 C ASP A 66 12.995 -10.236 -3.715 1.00 0.00 C ATOM 969 O ASP A 66 12.852 -11.445 -3.890 1.00 0.00 O ATOM 970 CB ASP A 66 15.106 -10.672 -2.498 1.00 0.00 C ATOM 971 CG ASP A 66 16.468 -11.120 -3.032 1.00 0.00 C ATOM 972 OD1 ASP A 66 17.433 -10.348 -2.845 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.514 -12.225 -3.615 1.00 0.00 O ATOM 0 H ASP A 66 14.108 -8.470 -1.670 1.00 0.00 H new ATOM 0 HA ASP A 66 14.952 -9.471 -4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.245 -10.240 -1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.473 -11.551 -2.376 1.00 0.00 H new ATOM 978 N GLY A 67 12.017 -9.345 -3.799 1.00 0.00 N ATOM 979 CA GLY A 67 10.659 -9.752 -4.115 1.00 0.00 C ATOM 980 C GLY A 67 10.318 -11.087 -3.449 1.00 0.00 C ATOM 981 O GLY A 67 9.921 -12.037 -4.122 1.00 0.00 O ATOM 0 H GLY A 67 12.139 -8.343 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.959 -8.986 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.544 -9.841 -5.195 1.00 0.00 H new ATOM 985 N ASP A 68 10.484 -11.116 -2.135 1.00 0.00 N ATOM 986 CA ASP A 68 10.199 -12.318 -1.370 1.00 0.00 C ATOM 987 C ASP A 68 8.740 -12.291 -0.911 1.00 0.00 C ATOM 988 O ASP A 68 8.291 -13.191 -0.203 1.00 0.00 O ATOM 989 CB ASP A 68 11.085 -12.403 -0.126 1.00 0.00 C ATOM 990 CG ASP A 68 11.277 -13.813 0.436 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.532 -14.710 -0.015 1.00 0.00 O ATOM 992 OD2 ASP A 68 12.164 -13.962 1.304 1.00 0.00 O ATOM 0 H ASP A 68 10.813 -10.326 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 68 10.394 -13.179 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.064 -11.988 -0.366 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.654 -11.773 0.652 1.00 0.00 H new ATOM 997 N ARG A 69 8.039 -11.248 -1.333 1.00 0.00 N ATOM 998 CA ARG A 69 6.640 -11.092 -0.973 1.00 0.00 C ATOM 999 C ARG A 69 6.478 -11.102 0.548 1.00 0.00 C ATOM 1000 O ARG A 69 6.501 -12.163 1.171 1.00 0.00 O ATOM 1001 CB ARG A 69 5.788 -12.210 -1.578 1.00 0.00 C ATOM 1002 CG ARG A 69 5.780 -12.128 -3.106 1.00 0.00 C ATOM 1003 CD ARG A 69 4.590 -11.306 -3.605 1.00 0.00 C ATOM 1004 NE ARG A 69 4.383 -11.542 -5.051 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.842 -12.658 -5.560 1.00 0.00 C ATOM 1006 NH1 ARG A 69 3.452 -13.646 -4.744 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.693 -12.785 -6.885 1.00 0.00 N ATOM 0 H ARG A 69 8.414 -10.503 -1.921 1.00 0.00 H new ATOM 0 HA ARG A 69 6.300 -10.136 -1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.177 -13.179 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.768 -12.139 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.709 -11.677 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.735 -13.132 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.691 -11.578 -3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.768 -10.246 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 69 4.670 -10.810 -5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.567 -13.549 -3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.040 -14.495 -5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.991 -12.033 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.281 -13.634 -7.273 1.00 0.00 H new ATOM 1021 N ILE A 70 6.318 -9.910 1.102 1.00 0.00 N ATOM 1022 CA ILE A 70 6.153 -9.768 2.539 1.00 0.00 C ATOM 1023 C ILE A 70 4.675 -9.939 2.897 1.00 0.00 C ATOM 1024 O ILE A 70 3.838 -10.134 2.017 1.00 0.00 O ATOM 1025 CB ILE A 70 6.753 -8.446 3.020 1.00 0.00 C ATOM 1026 CG1 ILE A 70 8.024 -8.104 2.239 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.998 -8.472 4.530 1.00 0.00 C ATOM 1028 CD1 ILE A 70 9.069 -9.212 2.380 1.00 0.00 C ATOM 0 H ILE A 70 6.299 -9.033 0.582 1.00 0.00 H new ATOM 0 HA ILE A 70 6.702 -10.550 3.064 1.00 0.00 H new ATOM 0 HB ILE A 70 6.032 -7.653 2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.781 -7.961 1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.436 -7.162 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.425 -7.520 4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.054 -8.636 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.690 -9.278 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.962 -8.944 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.328 -9.336 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.663 -10.147 1.994 1.00 0.00 H new ATOM 1040 N THR A 71 4.400 -9.860 4.191 1.00 0.00 N ATOM 1041 CA THR A 71 3.038 -10.003 4.676 1.00 0.00 C ATOM 1042 C THR A 71 2.741 -8.955 5.751 1.00 0.00 C ATOM 1043 O THR A 71 3.479 -8.838 6.728 1.00 0.00 O ATOM 1044 CB THR A 71 2.859 -11.442 5.164 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.910 -12.222 3.973 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.457 -11.702 5.720 1.00 0.00 C ATOM 0 H THR A 71 5.097 -9.699 4.918 1.00 0.00 H new ATOM 0 HA THR A 71 2.314 -9.821 3.882 1.00 0.00 H new ATOM 0 HB THR A 71 3.600 -11.659 5.933 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.803 -13.170 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.384 -12.738 6.052 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.271 -11.036 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.717 -11.517 4.941 1.00 0.00 H new ATOM 1054 N VAL A 72 1.661 -8.220 5.533 1.00 0.00 N ATOM 1055 CA VAL A 72 1.258 -7.186 6.471 1.00 0.00 C ATOM 1056 C VAL A 72 -0.020 -7.625 7.189 1.00 0.00 C ATOM 1057 O VAL A 72 -1.114 -7.519 6.637 1.00 0.00 O ATOM 1058 CB VAL A 72 1.105 -5.850 5.743 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.600 -4.762 6.693 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.420 -5.433 5.081 1.00 0.00 C ATOM 0 H VAL A 72 1.052 -8.320 4.721 1.00 0.00 H new ATOM 0 HA VAL A 72 2.025 -7.040 7.232 1.00 0.00 H new ATOM 0 HB VAL A 72 0.361 -5.980 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.500 -3.822 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.370 -5.053 7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.310 -4.635 7.511 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.284 -4.480 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.194 -5.330 5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.720 -6.192 4.359 1.00 0.00 H new ATOM 1070 N ARG A 73 0.161 -8.108 8.410 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.964 -8.563 9.209 1.00 0.00 C ATOM 1072 C ARG A 73 -1.215 -7.599 10.370 1.00 0.00 C ATOM 1073 O ARG A 73 -2.103 -7.827 11.190 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.713 -9.966 9.765 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.763 -11.015 8.652 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.472 -12.285 9.128 1.00 0.00 C ATOM 1077 NE ARG A 73 -2.497 -12.692 8.142 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.354 -13.706 8.324 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -3.313 -14.422 9.455 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -4.251 -14.004 7.374 1.00 0.00 N ATOM 0 H ARG A 73 1.070 -8.194 8.865 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.840 -8.593 8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.260 -9.998 10.256 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.460 -10.199 10.523 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.283 -10.607 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.250 -11.258 8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.747 -13.087 9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.938 -12.110 10.098 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.555 -12.168 7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.630 -14.195 10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.965 -15.194 9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.281 -13.459 6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.903 -14.776 7.513 1.00 0.00 H new ATOM 1094 N SER A 74 -0.417 -6.542 10.402 1.00 0.00 N ATOM 1095 CA SER A 74 -0.541 -5.542 11.449 1.00 0.00 C ATOM 1096 C SER A 74 -0.011 -4.195 10.952 1.00 0.00 C ATOM 1097 O SER A 74 0.722 -4.138 9.967 1.00 0.00 O ATOM 1098 CB SER A 74 0.206 -5.972 12.713 1.00 0.00 C ATOM 1099 OG SER A 74 -0.393 -5.443 13.893 1.00 0.00 O ATOM 0 H SER A 74 0.318 -6.356 9.720 1.00 0.00 H new ATOM 0 HA SER A 74 -1.597 -5.440 11.700 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.223 -7.060 12.772 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.242 -5.640 12.652 1.00 0.00 H new ATOM 0 HG SER A 74 0.112 -5.742 14.678 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.404 -3.144 11.657 1.00 0.00 N ATOM 1106 CA ASP A 75 0.022 -1.802 11.300 1.00 0.00 C ATOM 1107 C ASP A 75 1.549 -1.761 11.219 1.00 0.00 C ATOM 1108 O ASP A 75 2.110 -1.176 10.293 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.423 -0.784 12.352 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.895 -0.878 12.761 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.745 -0.633 11.878 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -2.136 -1.193 13.946 1.00 0.00 O ATOM 0 H ASP A 75 -1.013 -3.195 12.474 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.429 -1.549 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.194 -0.910 13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.231 0.219 11.970 1.00 0.00 H new ATOM 1117 N GLU A 76 2.179 -2.389 12.201 1.00 0.00 N ATOM 1118 CA GLU A 76 3.631 -2.432 12.253 1.00 0.00 C ATOM 1119 C GLU A 76 4.200 -2.809 10.884 1.00 0.00 C ATOM 1120 O GLU A 76 4.981 -2.057 10.303 1.00 0.00 O ATOM 1121 CB GLU A 76 4.113 -3.401 13.333 1.00 0.00 C ATOM 1122 CG GLU A 76 5.640 -3.400 13.429 1.00 0.00 C ATOM 1123 CD GLU A 76 6.100 -3.019 14.838 1.00 0.00 C ATOM 1124 OE1 GLU A 76 5.972 -3.884 15.730 1.00 0.00 O ATOM 1125 OE2 GLU A 76 6.570 -1.870 14.990 1.00 0.00 O ATOM 0 H GLU A 76 1.711 -2.872 12.967 1.00 0.00 H new ATOM 0 HA GLU A 76 3.995 -1.439 12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.684 -3.121 14.295 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.760 -4.407 13.108 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.025 -4.387 13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.053 -2.698 12.705 1.00 0.00 H new ATOM 1132 N GLU A 77 3.786 -3.975 10.407 1.00 0.00 N ATOM 1133 CA GLU A 77 4.244 -4.461 9.117 1.00 0.00 C ATOM 1134 C GLU A 77 3.991 -3.412 8.033 1.00 0.00 C ATOM 1135 O GLU A 77 4.827 -3.208 7.154 1.00 0.00 O ATOM 1136 CB GLU A 77 3.573 -5.789 8.762 1.00 0.00 C ATOM 1137 CG GLU A 77 4.245 -6.956 9.490 1.00 0.00 C ATOM 1138 CD GLU A 77 4.790 -6.513 10.849 1.00 0.00 C ATOM 1139 OE1 GLU A 77 3.952 -6.171 11.712 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.031 -6.526 10.995 1.00 0.00 O ATOM 0 H GLU A 77 3.138 -4.597 10.891 1.00 0.00 H new ATOM 0 HA GLU A 77 5.318 -4.639 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.517 -5.749 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.624 -5.950 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.528 -7.765 9.628 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.057 -7.351 8.880 1.00 0.00 H new ATOM 1147 N MET A 78 2.835 -2.773 8.132 1.00 0.00 N ATOM 1148 CA MET A 78 2.461 -1.749 7.170 1.00 0.00 C ATOM 1149 C MET A 78 3.586 -0.728 6.993 1.00 0.00 C ATOM 1150 O MET A 78 4.168 -0.621 5.914 1.00 0.00 O ATOM 1151 CB MET A 78 1.194 -1.037 7.649 1.00 0.00 C ATOM 1152 CG MET A 78 0.117 -1.046 6.564 1.00 0.00 C ATOM 1153 SD MET A 78 0.311 0.374 5.499 1.00 0.00 S ATOM 1154 CE MET A 78 -0.829 1.504 6.279 1.00 0.00 C ATOM 0 H MET A 78 2.145 -2.944 8.863 1.00 0.00 H new ATOM 0 HA MET A 78 2.277 -2.229 6.209 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.815 -1.526 8.547 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.432 -0.009 7.922 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.187 -1.963 5.978 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.872 -1.035 7.022 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.555 2.529 6.028 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.840 1.302 5.926 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.789 1.373 7.360 1.00 0.00 H new ATOM 1164 N LYS A 79 3.857 -0.002 8.067 1.00 0.00 N ATOM 1165 CA LYS A 79 4.902 1.008 8.043 1.00 0.00 C ATOM 1166 C LYS A 79 6.112 0.467 7.279 1.00 0.00 C ATOM 1167 O LYS A 79 6.626 1.126 6.376 1.00 0.00 O ATOM 1168 CB LYS A 79 5.230 1.473 9.464 1.00 0.00 C ATOM 1169 CG LYS A 79 4.707 2.889 9.711 1.00 0.00 C ATOM 1170 CD LYS A 79 5.058 3.365 11.123 1.00 0.00 C ATOM 1171 CE LYS A 79 3.953 3.000 12.115 1.00 0.00 C ATOM 1172 NZ LYS A 79 4.252 1.708 12.772 1.00 0.00 N ATOM 0 H LYS A 79 3.372 -0.093 8.959 1.00 0.00 H new ATOM 0 HA LYS A 79 4.561 1.896 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.788 0.787 10.186 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.309 1.447 9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.134 3.572 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.626 2.910 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.999 2.914 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.207 4.445 11.120 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.858 3.783 12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.996 2.938 11.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.419 1.088 12.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.056 1.254 12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.491 1.873 13.771 1.00 0.00 H new ATOM 1186 N ALA A 80 6.531 -0.728 7.668 1.00 0.00 N ATOM 1187 CA ALA A 80 7.670 -1.366 7.030 1.00 0.00 C ATOM 1188 C ALA A 80 7.455 -1.389 5.516 1.00 0.00 C ATOM 1189 O ALA A 80 8.267 -0.857 4.761 1.00 0.00 O ATOM 1190 CB ALA A 80 7.864 -2.767 7.614 1.00 0.00 C ATOM 0 H ALA A 80 6.102 -1.271 8.417 1.00 0.00 H new ATOM 0 HA ALA A 80 8.583 -0.803 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.718 -3.246 7.135 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.044 -2.692 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.968 -3.362 7.437 1.00 0.00 H new ATOM 1196 N MET A 81 6.355 -2.011 5.116 1.00 0.00 N ATOM 1197 CA MET A 81 6.022 -2.111 3.706 1.00 0.00 C ATOM 1198 C MET A 81 6.188 -0.760 3.006 1.00 0.00 C ATOM 1199 O MET A 81 6.739 -0.689 1.909 1.00 0.00 O ATOM 1200 CB MET A 81 4.577 -2.590 3.554 1.00 0.00 C ATOM 1201 CG MET A 81 4.171 -2.651 2.080 1.00 0.00 C ATOM 1202 SD MET A 81 3.571 -1.057 1.547 1.00 0.00 S ATOM 1203 CE MET A 81 1.921 -1.103 2.228 1.00 0.00 C ATOM 0 H MET A 81 5.683 -2.451 5.745 1.00 0.00 H new ATOM 0 HA MET A 81 6.702 -2.826 3.242 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.468 -3.576 4.006 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.909 -1.917 4.091 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.024 -2.950 1.471 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.398 -3.406 1.938 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.593 -0.089 2.456 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.241 -1.550 1.503 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.921 -1.698 3.141 1.00 0.00 H new ATOM 1213 N LEU A 82 5.702 0.278 3.671 1.00 0.00 N ATOM 1214 CA LEU A 82 5.789 1.622 3.127 1.00 0.00 C ATOM 1215 C LEU A 82 7.240 2.104 3.201 1.00 0.00 C ATOM 1216 O LEU A 82 7.668 2.922 2.388 1.00 0.00 O ATOM 1217 CB LEU A 82 4.796 2.550 3.829 1.00 0.00 C ATOM 1218 CG LEU A 82 3.347 2.469 3.347 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.371 2.716 4.500 1.00 0.00 C ATOM 1220 CD2 LEU A 82 3.104 3.424 2.177 1.00 0.00 C ATOM 0 H LEU A 82 5.247 0.215 4.582 1.00 0.00 H new ATOM 0 HA LEU A 82 5.504 1.626 2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.816 2.330 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.141 3.577 3.709 1.00 0.00 H new ATOM 0 HG LEU A 82 3.165 1.458 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.348 2.653 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.524 1.964 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.545 3.707 4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.066 3.346 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.310 4.447 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.762 3.160 1.349 1.00 0.00 H new ATOM 1232 N SER A 83 7.956 1.577 4.183 1.00 0.00 N ATOM 1233 CA SER A 83 9.349 1.943 4.373 1.00 0.00 C ATOM 1234 C SER A 83 10.192 1.415 3.211 1.00 0.00 C ATOM 1235 O SER A 83 11.333 1.836 3.026 1.00 0.00 O ATOM 1236 CB SER A 83 9.882 1.406 5.703 1.00 0.00 C ATOM 1237 OG SER A 83 10.345 2.452 6.553 1.00 0.00 O ATOM 0 H SER A 83 7.597 0.899 4.856 1.00 0.00 H new ATOM 0 HA SER A 83 9.417 3.031 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.095 0.848 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.696 0.707 5.512 1.00 0.00 H new ATOM 0 HG SER A 83 10.676 2.069 7.392 1.00 0.00 H new ATOM 1243 N TYR A 84 9.599 0.500 2.458 1.00 0.00 N ATOM 1244 CA TYR A 84 10.281 -0.090 1.319 1.00 0.00 C ATOM 1245 C TYR A 84 9.905 0.628 0.022 1.00 0.00 C ATOM 1246 O TYR A 84 10.778 1.069 -0.724 1.00 0.00 O ATOM 1247 CB TYR A 84 9.800 -1.540 1.244 1.00 0.00 C ATOM 1248 CG TYR A 84 9.964 -2.179 -0.136 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.148 -2.802 -0.472 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.927 -2.132 -1.046 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.303 -3.404 -1.771 1.00 0.00 C ATOM 1252 CE2 TYR A 84 9.081 -2.734 -2.346 1.00 0.00 C ATOM 1253 CZ TYR A 84 10.262 -3.340 -2.644 1.00 0.00 C ATOM 1254 OH TYR A 84 10.407 -3.908 -3.871 1.00 0.00 O ATOM 0 H TYR A 84 8.653 0.153 2.615 1.00 0.00 H new ATOM 0 HA TYR A 84 11.362 -0.014 1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.350 -2.133 1.975 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.748 -1.578 1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.959 -2.838 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.000 -1.644 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.225 -3.895 -2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.278 -2.705 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 84 11.071 -4.627 -3.822 1.00 0.00 H new ATOM 1264 N TYR A 85 8.603 0.724 -0.207 1.00 0.00 N ATOM 1265 CA TYR A 85 8.100 1.382 -1.401 1.00 0.00 C ATOM 1266 C TYR A 85 8.800 2.724 -1.625 1.00 0.00 C ATOM 1267 O TYR A 85 9.212 3.035 -2.741 1.00 0.00 O ATOM 1268 CB TYR A 85 6.612 1.632 -1.150 1.00 0.00 C ATOM 1269 CG TYR A 85 5.851 2.143 -2.375 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.619 1.301 -3.444 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.396 3.445 -2.411 1.00 0.00 C ATOM 1272 CE1 TYR A 85 4.903 1.782 -4.597 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.680 3.926 -3.564 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.469 3.070 -4.600 1.00 0.00 C ATOM 1275 OH TYR A 85 3.792 3.524 -5.689 1.00 0.00 O ATOM 0 H TYR A 85 7.882 0.357 0.414 1.00 0.00 H new ATOM 0 HA TYR A 85 8.278 0.765 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.151 0.705 -0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.507 2.356 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.974 0.282 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.577 4.103 -1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.715 1.134 -5.440 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.319 4.943 -3.605 1.00 0.00 H new ATOM 0 HH TYR A 85 4.136 3.085 -6.495 1.00 0.00 H new ATOM 1285 N TYR A 86 8.913 3.483 -0.545 1.00 0.00 N ATOM 1286 CA TYR A 86 9.556 4.784 -0.609 1.00 0.00 C ATOM 1287 C TYR A 86 11.071 4.640 -0.764 1.00 0.00 C ATOM 1288 O TYR A 86 11.711 5.454 -1.428 1.00 0.00 O ATOM 1289 CB TYR A 86 9.255 5.470 0.725 1.00 0.00 C ATOM 1290 CG TYR A 86 7.762 5.630 1.019 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.870 5.813 -0.018 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.307 5.591 2.322 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.465 5.964 0.259 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.902 5.742 2.599 1.00 0.00 C ATOM 1295 CZ TYR A 86 5.051 5.921 1.554 1.00 0.00 C ATOM 1296 OH TYR A 86 3.723 6.063 1.815 1.00 0.00 O ATOM 0 H TYR A 86 8.570 3.222 0.379 1.00 0.00 H new ATOM 0 HA TYR A 86 9.188 5.352 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.714 4.895 1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.723 6.454 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.226 5.843 -1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 86 8.005 5.447 3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.756 6.108 -0.543 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.533 5.714 3.614 1.00 0.00 H new ATOM 0 HH TYR A 86 3.205 5.819 1.019 1.00 0.00 H new ATOM 1306 N SER A 87 11.601 3.598 -0.140 1.00 0.00 N ATOM 1307 CA SER A 87 13.029 3.337 -0.201 1.00 0.00 C ATOM 1308 C SER A 87 13.418 2.876 -1.607 1.00 0.00 C ATOM 1309 O SER A 87 14.553 3.076 -2.038 1.00 0.00 O ATOM 1310 CB SER A 87 13.442 2.288 0.834 1.00 0.00 C ATOM 1311 OG SER A 87 13.873 2.883 2.055 1.00 0.00 O ATOM 0 H SER A 87 11.067 2.925 0.410 1.00 0.00 H new ATOM 0 HA SER A 87 13.555 4.263 0.029 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.601 1.623 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.245 1.674 0.427 1.00 0.00 H new ATOM 0 HG SER A 87 13.195 2.736 2.748 1.00 0.00 H new ATOM 1317 N THR A 88 12.455 2.267 -2.283 1.00 0.00 N ATOM 1318 CA THR A 88 12.683 1.776 -3.631 1.00 0.00 C ATOM 1319 C THR A 88 12.197 2.799 -4.660 1.00 0.00 C ATOM 1320 O THR A 88 12.861 3.035 -5.668 1.00 0.00 O ATOM 1321 CB THR A 88 11.999 0.413 -3.760 1.00 0.00 C ATOM 1322 OG1 THR A 88 12.817 -0.300 -4.684 1.00 0.00 O ATOM 1323 CG2 THR A 88 10.640 0.503 -4.457 1.00 0.00 C ATOM 0 H THR A 88 11.515 2.102 -1.922 1.00 0.00 H new ATOM 0 HA THR A 88 13.747 1.642 -3.829 1.00 0.00 H new ATOM 0 HB THR A 88 11.870 -0.023 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.447 -1.196 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.198 -0.491 -4.522 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.981 1.156 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.772 0.908 -5.460 1.00 0.00 H new ATOM 1331 N VAL A 89 11.041 3.379 -4.371 1.00 0.00 N ATOM 1332 CA VAL A 89 10.459 4.371 -5.258 1.00 0.00 C ATOM 1333 C VAL A 89 11.491 5.464 -5.542 1.00 0.00 C ATOM 1334 O VAL A 89 11.776 5.768 -6.699 1.00 0.00 O ATOM 1335 CB VAL A 89 9.162 4.915 -4.655 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.817 6.285 -5.242 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.009 3.928 -4.853 1.00 0.00 C ATOM 0 H VAL A 89 10.492 3.180 -3.535 1.00 0.00 H new ATOM 0 HA VAL A 89 10.193 3.919 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 89 9.317 5.039 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.891 6.649 -4.797 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.623 6.986 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.691 6.197 -6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.099 4.339 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.854 3.758 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.251 2.983 -4.366 1.00 0.00 H new ATOM 1347 N MET A 90 12.022 6.025 -4.465 1.00 0.00 N ATOM 1348 CA MET A 90 13.016 7.078 -4.584 1.00 0.00 C ATOM 1349 C MET A 90 14.208 6.615 -5.424 1.00 0.00 C ATOM 1350 O MET A 90 14.906 7.432 -6.022 1.00 0.00 O ATOM 1351 CB MET A 90 13.500 7.483 -3.190 1.00 0.00 C ATOM 1352 CG MET A 90 14.672 6.607 -2.741 1.00 0.00 C ATOM 1353 SD MET A 90 16.214 7.331 -3.274 1.00 0.00 S ATOM 1354 CE MET A 90 17.304 6.711 -2.004 1.00 0.00 C ATOM 0 H MET A 90 11.783 5.770 -3.507 1.00 0.00 H new ATOM 0 HA MET A 90 12.556 7.932 -5.081 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.805 8.529 -3.197 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.681 7.394 -2.477 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.665 6.504 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.568 5.605 -3.157 1.00 0.00 H new ATOM 0 HE1 MET A 90 18.317 7.071 -2.186 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.964 7.062 -1.030 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.298 5.621 -2.020 1.00 0.00 H new ATOM 1364 N GLU A 91 14.405 5.304 -5.441 1.00 0.00 N ATOM 1365 CA GLU A 91 15.501 4.722 -6.197 1.00 0.00 C ATOM 1366 C GLU A 91 15.126 4.613 -7.677 1.00 0.00 C ATOM 1367 O GLU A 91 15.988 4.707 -8.548 1.00 0.00 O ATOM 1368 CB GLU A 91 15.895 3.358 -5.630 1.00 0.00 C ATOM 1369 CG GLU A 91 16.833 3.512 -4.431 1.00 0.00 C ATOM 1370 CD GLU A 91 18.266 3.792 -4.889 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.599 3.354 -6.012 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.996 4.438 -4.107 1.00 0.00 O ATOM 0 H GLU A 91 13.824 4.629 -4.943 1.00 0.00 H new ATOM 0 HA GLU A 91 16.366 5.379 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.000 2.813 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.383 2.766 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.485 4.326 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.811 2.604 -3.828 1.00 0.00 H new ATOM 1379 N GLN A 92 13.837 4.417 -7.914 1.00 0.00 N ATOM 1380 CA GLN A 92 13.337 4.294 -9.273 1.00 0.00 C ATOM 1381 C GLN A 92 13.398 5.647 -9.985 1.00 0.00 C ATOM 1382 O GLN A 92 13.341 5.709 -11.212 1.00 0.00 O ATOM 1383 CB GLN A 92 11.914 3.732 -9.285 1.00 0.00 C ATOM 1384 CG GLN A 92 11.923 2.212 -9.109 1.00 0.00 C ATOM 1385 CD GLN A 92 10.999 1.537 -10.126 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.280 1.473 -11.311 1.00 0.00 O ATOM 1387 NE2 GLN A 92 9.885 1.040 -9.597 1.00 0.00 N ATOM 0 H GLN A 92 13.124 4.340 -7.188 1.00 0.00 H new ATOM 0 HA GLN A 92 13.974 3.592 -9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.331 4.191 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.425 3.990 -10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.939 1.834 -9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.605 1.957 -8.098 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.712 1.129 -8.596 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.203 0.570 -10.193 1.00 0.00 H new ATOM 1396 N GLN A 93 13.513 6.697 -9.185 1.00 0.00 N ATOM 1397 CA GLN A 93 13.582 8.044 -9.724 1.00 0.00 C ATOM 1398 C GLN A 93 15.033 8.419 -10.032 1.00 0.00 C ATOM 1399 O GLN A 93 15.329 8.939 -11.107 1.00 0.00 O ATOM 1400 CB GLN A 93 12.948 9.052 -8.763 1.00 0.00 C ATOM 1401 CG GLN A 93 11.503 8.667 -8.439 1.00 0.00 C ATOM 1402 CD GLN A 93 10.592 9.896 -8.456 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.790 10.838 -9.205 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.584 9.833 -7.591 1.00 0.00 N ATOM 0 H GLN A 93 13.560 6.642 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 93 13.015 8.071 -10.654 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.531 9.099 -7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.972 10.047 -9.206 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.146 7.935 -9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.460 8.192 -7.459 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.476 9.014 -6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.919 10.604 -7.526 1.00 0.00 H new ATOM 1413 N VAL A 94 15.900 8.139 -9.070 1.00 0.00 N ATOM 1414 CA VAL A 94 17.313 8.440 -9.225 1.00 0.00 C ATOM 1415 C VAL A 94 17.862 7.679 -10.433 1.00 0.00 C ATOM 1416 O VAL A 94 18.814 8.126 -11.072 1.00 0.00 O ATOM 1417 CB VAL A 94 18.061 8.123 -7.928 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.293 8.642 -6.711 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.334 6.623 -7.806 1.00 0.00 C ATOM 0 H VAL A 94 15.651 7.707 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 94 17.459 9.503 -9.417 1.00 0.00 H new ATOM 0 HB VAL A 94 19.022 8.637 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.846 8.404 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.173 9.723 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.311 8.170 -6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.866 6.425 -6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.389 6.080 -7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.941 6.294 -8.649 1.00 0.00 H new ATOM 1429 N ASN A 95 17.239 6.543 -10.710 1.00 0.00 N ATOM 1430 CA ASN A 95 17.654 5.716 -11.831 1.00 0.00 C ATOM 1431 C ASN A 95 17.197 6.369 -13.137 1.00 0.00 C ATOM 1432 O ASN A 95 18.022 6.740 -13.971 1.00 0.00 O ATOM 1433 CB ASN A 95 17.022 4.325 -11.752 1.00 0.00 C ATOM 1434 CG ASN A 95 18.092 3.233 -11.814 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.302 2.591 -12.830 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.755 3.059 -10.674 1.00 0.00 N ATOM 0 H ASN A 95 16.450 6.176 -10.178 1.00 0.00 H new ATOM 0 HA ASN A 95 18.739 5.622 -11.798 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.455 4.231 -10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.316 4.195 -12.573 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.489 2.354 -10.614 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.529 3.631 -9.860 1.00 0.00 H new ATOM 1443 N GLY A 96 15.885 6.489 -13.275 1.00 0.00 N ATOM 1444 CA GLY A 96 15.309 7.091 -14.465 1.00 0.00 C ATOM 1445 C GLY A 96 13.885 6.585 -14.701 1.00 0.00 C ATOM 1446 O GLY A 96 12.949 7.377 -14.796 1.00 0.00 O ATOM 0 H GLY A 96 15.204 6.179 -12.582 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.301 8.176 -14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.929 6.859 -15.331 1.00 0.00 H new ATOM 1450 N GLN A 97 13.765 5.268 -14.788 1.00 0.00 N ATOM 1451 CA GLN A 97 12.470 4.648 -15.010 1.00 0.00 C ATOM 1452 C GLN A 97 11.405 5.316 -14.139 1.00 0.00 C ATOM 1453 O GLN A 97 11.728 5.964 -13.145 1.00 0.00 O ATOM 1454 CB GLN A 97 12.531 3.142 -14.745 1.00 0.00 C ATOM 1455 CG GLN A 97 13.040 2.855 -13.330 1.00 0.00 C ATOM 1456 CD GLN A 97 13.371 1.371 -13.158 1.00 0.00 C ATOM 1457 OE1 GLN A 97 12.661 0.492 -13.617 1.00 0.00 O ATOM 1458 NE2 GLN A 97 14.488 1.143 -12.471 1.00 0.00 N ATOM 0 H GLN A 97 14.543 4.614 -14.709 1.00 0.00 H new ATOM 0 HA GLN A 97 12.196 4.789 -16.056 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.541 2.706 -14.875 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.187 2.667 -15.475 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.928 3.455 -13.130 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.285 3.150 -12.601 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.036 1.926 -12.114 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.796 0.186 -12.301 1.00 0.00 H new ATOM 1467 N LEU A 98 10.156 5.134 -14.544 1.00 0.00 N ATOM 1468 CA LEU A 98 9.041 5.711 -13.812 1.00 0.00 C ATOM 1469 C LEU A 98 8.778 4.881 -12.554 1.00 0.00 C ATOM 1470 O LEU A 98 9.310 3.781 -12.409 1.00 0.00 O ATOM 1471 CB LEU A 98 7.819 5.852 -14.722 1.00 0.00 C ATOM 1472 CG LEU A 98 7.670 4.791 -15.815 1.00 0.00 C ATOM 1473 CD1 LEU A 98 7.906 3.388 -15.252 1.00 0.00 C ATOM 1474 CD2 LEU A 98 6.313 4.909 -16.512 1.00 0.00 C ATOM 0 H LEU A 98 9.892 4.596 -15.369 1.00 0.00 H new ATOM 0 HA LEU A 98 9.283 6.721 -13.483 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.924 5.833 -14.100 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.856 6.832 -15.197 1.00 0.00 H new ATOM 0 HG LEU A 98 8.436 4.968 -16.570 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.794 2.653 -16.049 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.913 3.326 -14.840 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.179 3.184 -14.466 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.233 4.144 -17.284 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.516 4.772 -15.781 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.223 5.895 -16.968 1.00 0.00 H new ATOM 1486 N ILE A 99 7.957 5.439 -11.677 1.00 0.00 N ATOM 1487 CA ILE A 99 7.617 4.764 -10.436 1.00 0.00 C ATOM 1488 C ILE A 99 6.517 3.735 -10.705 1.00 0.00 C ATOM 1489 O ILE A 99 5.651 3.953 -11.551 1.00 0.00 O ATOM 1490 CB ILE A 99 7.254 5.783 -9.354 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.381 6.799 -9.157 1.00 0.00 C ATOM 1492 CG2 ILE A 99 6.877 5.084 -8.046 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.634 6.125 -8.595 1.00 0.00 C ATOM 0 H ILE A 99 7.517 6.351 -11.801 1.00 0.00 H new ATOM 0 HA ILE A 99 8.478 4.218 -10.051 1.00 0.00 H new ATOM 0 HB ILE A 99 6.376 6.337 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.616 7.276 -10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.052 7.586 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.624 5.831 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.019 4.434 -8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.720 4.488 -7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.420 6.869 -8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.402 5.670 -7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.975 5.355 -9.287 1.00 0.00 H new ATOM 1505 N GLU A 100 6.587 2.635 -9.969 1.00 0.00 N ATOM 1506 CA GLU A 100 5.609 1.571 -10.118 1.00 0.00 C ATOM 1507 C GLU A 100 4.608 1.606 -8.961 1.00 0.00 C ATOM 1508 O GLU A 100 4.914 2.118 -7.885 1.00 0.00 O ATOM 1509 CB GLU A 100 6.293 0.206 -10.210 1.00 0.00 C ATOM 1510 CG GLU A 100 6.886 -0.017 -11.603 1.00 0.00 C ATOM 1511 CD GLU A 100 6.359 -1.313 -12.222 1.00 0.00 C ATOM 1512 OE1 GLU A 100 6.242 -2.299 -11.461 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.086 -1.290 -13.441 1.00 0.00 O ATOM 0 H GLU A 100 7.306 2.458 -9.268 1.00 0.00 H new ATOM 0 HA GLU A 100 5.065 1.731 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.081 0.139 -9.460 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.573 -0.581 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.636 0.826 -12.248 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.973 -0.057 -11.537 1.00 0.00 H new ATOM 1520 N PRO A 101 3.400 1.040 -9.229 1.00 0.00 N ATOM 1521 CA PRO A 101 2.352 1.002 -8.223 1.00 0.00 C ATOM 1522 C PRO A 101 2.651 -0.057 -7.160 1.00 0.00 C ATOM 1523 O PRO A 101 3.130 -1.144 -7.480 1.00 0.00 O ATOM 1524 CB PRO A 101 1.074 0.722 -8.997 1.00 0.00 C ATOM 1525 CG PRO A 101 1.514 0.156 -10.338 1.00 0.00 C ATOM 1526 CD PRO A 101 3.002 0.425 -10.492 1.00 0.00 C ATOM 0 HA PRO A 101 2.269 1.936 -7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.441 0.013 -8.463 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.490 1.633 -9.130 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.313 -0.914 -10.385 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.956 0.621 -11.150 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.554 -0.497 -10.675 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.200 1.088 -11.335 1.00 0.00 H new ATOM 1534 N LEU A 102 2.356 0.297 -5.918 1.00 0.00 N ATOM 1535 CA LEU A 102 2.587 -0.609 -4.806 1.00 0.00 C ATOM 1536 C LEU A 102 1.784 -1.893 -5.025 1.00 0.00 C ATOM 1537 O LEU A 102 0.657 -2.013 -4.546 1.00 0.00 O ATOM 1538 CB LEU A 102 2.287 0.086 -3.477 1.00 0.00 C ATOM 1539 CG LEU A 102 2.507 -0.753 -2.217 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.894 -1.397 -2.222 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.266 0.079 -0.955 1.00 0.00 C ATOM 0 H LEU A 102 1.959 1.199 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 102 3.638 -0.894 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.909 0.979 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.250 0.420 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 102 1.777 -1.562 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.024 -1.988 -1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.992 -2.044 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.656 -0.619 -2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.429 -0.541 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.956 0.922 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.241 0.449 -0.954 1.00 0.00 H new ATOM 1553 N GLN A 103 2.395 -2.820 -5.748 1.00 0.00 N ATOM 1554 CA GLN A 103 1.750 -4.090 -6.036 1.00 0.00 C ATOM 1555 C GLN A 103 1.558 -4.891 -4.747 1.00 0.00 C ATOM 1556 O GLN A 103 2.528 -5.363 -4.154 1.00 0.00 O ATOM 1557 CB GLN A 103 2.551 -4.890 -7.065 1.00 0.00 C ATOM 1558 CG GLN A 103 1.772 -6.124 -7.526 1.00 0.00 C ATOM 1559 CD GLN A 103 2.551 -6.896 -8.593 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.642 -6.525 -8.993 1.00 0.00 O ATOM 1561 NE2 GLN A 103 1.931 -7.988 -9.031 1.00 0.00 N ATOM 0 H GLN A 103 3.330 -2.717 -6.143 1.00 0.00 H new ATOM 0 HA GLN A 103 0.769 -3.889 -6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.781 -4.259 -7.923 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.503 -5.197 -6.632 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.575 -6.774 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.805 -5.820 -7.926 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.018 -8.242 -8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.368 -8.571 -9.744 1.00 0.00 H new ATOM 1570 N ILE A 104 0.301 -5.021 -4.350 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.030 -5.758 -3.142 1.00 0.00 C ATOM 1572 C ILE A 104 -1.025 -6.869 -3.485 1.00 0.00 C ATOM 1573 O ILE A 104 -1.700 -6.809 -4.511 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.524 -4.805 -2.052 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.815 -4.103 -2.480 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.568 -3.808 -1.660 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.502 -3.442 -1.284 1.00 0.00 C ATOM 0 H ILE A 104 -0.501 -4.628 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 104 0.858 -6.240 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.757 -5.393 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.591 -3.351 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.491 -4.825 -2.939 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.191 -3.142 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.436 -4.349 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.856 -3.222 -2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.417 -2.950 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.747 -4.200 -0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.833 -2.704 -0.842 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.085 -7.858 -2.605 1.00 0.00 N ATOM 1590 CA PHE A 105 -1.986 -8.981 -2.801 1.00 0.00 C ATOM 1591 C PHE A 105 -2.833 -9.228 -1.551 1.00 0.00 C ATOM 1592 O PHE A 105 -2.298 -9.397 -0.457 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.116 -10.211 -3.065 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.096 -10.022 -4.189 1.00 0.00 C ATOM 1595 CD1 PHE A 105 1.037 -9.304 -3.965 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.321 -10.573 -5.412 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.984 -9.128 -5.008 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.626 -10.397 -6.455 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.759 -9.679 -6.231 1.00 0.00 C ATOM 0 H PHE A 105 -0.524 -7.905 -1.754 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.662 -8.776 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.587 -10.473 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.762 -11.054 -3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.216 -8.868 -2.994 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.220 -11.144 -5.590 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.883 -8.557 -4.830 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.447 -10.833 -7.426 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.480 -9.546 -7.024 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.177 -9.243 -1.761 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.104 -9.467 -0.665 1.00 0.00 C ATOM 1611 C PRO A 106 -5.117 -10.940 -0.251 1.00 0.00 C ATOM 1612 O PRO A 106 -5.803 -11.755 -0.866 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.449 -8.983 -1.181 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.323 -8.938 -2.695 1.00 0.00 C ATOM 1615 CD PRO A 106 -4.847 -9.047 -3.043 1.00 0.00 C ATOM 0 HA PRO A 106 -4.823 -8.928 0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.250 -9.657 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.690 -7.999 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.884 -9.755 -3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.740 -8.010 -3.085 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.660 -9.881 -3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.490 -8.146 -3.542 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.352 -11.237 0.789 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.267 -12.598 1.292 1.00 0.00 C ATOM 1625 C ARG A 107 -5.669 -13.173 1.505 1.00 0.00 C ATOM 1626 O ARG A 107 -6.656 -12.439 1.478 1.00 0.00 O ATOM 1627 CB ARG A 107 -3.496 -12.650 2.612 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.097 -13.232 2.407 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.667 -14.065 3.617 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.972 -15.494 3.381 1.00 0.00 N ATOM 1631 CZ ARG A 107 -1.548 -16.493 4.167 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -0.797 -16.224 5.245 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.873 -17.760 3.877 1.00 0.00 N ATOM 0 H ARG A 107 -3.785 -10.558 1.297 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.735 -13.193 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.419 -11.647 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.044 -13.256 3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.085 -13.853 1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.383 -12.424 2.245 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.599 -13.937 3.796 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.184 -13.717 4.511 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.541 -15.733 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.549 -15.260 5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.474 -16.984 5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -2.444 -17.965 3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.550 -18.519 4.476 1.00 0.00 H new