USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 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 47 ASN : amide:sc= -0.909 K(o=-0.91,f=-2.6!) USER MOD Set 1.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 20:sc= 0.825 USER MOD Single : A 4 LYS NZ :NH3+ 171:sc= -0.897 (180deg=-1.23) USER MOD Single : A 5 GLN :FLIP amide:sc= -2.77! C(o=-4.3!,f=-2.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 147:sc= -0.243 (180deg=-1.54!) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= -2.82! (180deg=-2.93!) USER MOD Single : A 27 MET CE :methyl -173:sc= -0.71 (180deg=-1.06) USER MOD Single : A 28 GLN : amide:sc= -2.4! C(o=-2.4!,f=-2.7!) USER MOD Single : A 38 ASN :FLIP amide:sc= -5.26! C(o=-6.4!,f=-5.3!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.69 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.26 F(o=-1.4,f=-0.26) USER MOD Single : A 84 ASN : amide:sc=-0.00842 X(o=-0.0084,f=-0.17) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.164 -12.831 18.811 1.00 0.00 N ATOM 21 CA THR A 2 50.585 -12.499 18.816 1.00 0.00 C ATOM 22 C THR A 2 51.324 -13.298 17.753 1.00 0.00 C ATOM 23 O THR A 2 50.964 -14.440 17.468 1.00 0.00 O ATOM 24 CB THR A 2 51.200 -12.831 20.182 1.00 0.00 C ATOM 25 OG1 THR A 2 50.168 -13.177 21.094 1.00 0.00 O ATOM 26 CG2 THR A 2 51.969 -11.622 20.715 1.00 0.00 C ATOM 0 HA THR A 2 50.681 -11.433 18.609 1.00 0.00 H new ATOM 0 HB THR A 2 51.887 -13.670 20.071 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.363 -13.432 20.596 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.403 -11.865 21.685 1.00 0.00 H new ATOM 0 HG22 THR A 2 52.764 -11.360 20.017 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.289 -10.777 20.823 1.00 0.00 H new ATOM 34 N VAL A 3 52.391 -12.724 17.204 1.00 0.00 N ATOM 35 CA VAL A 3 53.184 -13.422 16.238 1.00 0.00 C ATOM 36 C VAL A 3 54.617 -13.081 16.458 1.00 0.00 C ATOM 37 O VAL A 3 54.975 -11.925 16.672 1.00 0.00 O ATOM 38 CB VAL A 3 52.825 -13.054 14.825 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.586 -13.821 14.418 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.592 -11.547 14.719 1.00 0.00 C ATOM 0 H VAL A 3 52.713 -11.781 17.421 1.00 0.00 H new ATOM 0 HA VAL A 3 52.996 -14.488 16.368 1.00 0.00 H new ATOM 0 HB VAL A 3 53.643 -13.315 14.154 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.317 -13.561 13.394 1.00 0.00 H new ATOM 0 HG12 VAL A 3 51.784 -14.891 14.481 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.763 -13.564 15.085 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.333 -11.290 13.692 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.777 -11.257 15.382 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.500 -11.017 15.007 1.00 0.00 H new ATOM 50 N LYS A 4 55.424 -14.092 16.401 1.00 0.00 N ATOM 51 CA LYS A 4 56.823 -13.919 16.591 1.00 0.00 C ATOM 52 C LYS A 4 57.582 -14.971 15.837 1.00 0.00 C ATOM 53 O LYS A 4 57.198 -16.140 15.800 1.00 0.00 O ATOM 54 CB LYS A 4 57.160 -13.978 18.060 1.00 0.00 C ATOM 55 CG LYS A 4 56.562 -15.251 18.692 1.00 0.00 C ATOM 56 CD LYS A 4 55.345 -14.907 19.578 1.00 0.00 C ATOM 57 CE LYS A 4 54.047 -14.879 18.748 1.00 0.00 C ATOM 58 NZ LYS A 4 53.002 -15.676 19.453 1.00 0.00 N ATOM 0 H LYS A 4 55.132 -15.053 16.223 1.00 0.00 H new ATOM 0 HA LYS A 4 57.112 -12.940 16.207 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.242 -13.971 18.193 1.00 0.00 H new ATOM 0 HB3 LYS A 4 56.771 -13.094 18.566 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.261 -15.945 17.907 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.321 -15.756 19.290 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.254 -15.642 20.378 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.498 -13.938 20.052 1.00 0.00 H new ATOM 0 HE2 LYS A 4 53.709 -13.852 18.612 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.227 -15.289 17.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.085 -15.539 18.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.257 -16.684 19.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 52.934 -15.362 20.442 1.00 0.00 H new ATOM 72 N GLN A 5 58.635 -14.529 15.193 1.00 0.00 N ATOM 73 CA GLN A 5 59.429 -15.411 14.378 1.00 0.00 C ATOM 74 C GLN A 5 60.888 -14.997 14.370 1.00 0.00 C ATOM 75 O GLN A 5 61.232 -13.843 14.596 1.00 0.00 O ATOM 76 CB GLN A 5 58.889 -15.370 12.962 1.00 0.00 C ATOM 77 CG GLN A 5 57.359 -15.324 12.996 1.00 0.00 C ATOM 78 CD GLN A 5 56.812 -15.353 11.571 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.640 -15.497 10.571 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.604 -15.241 11.365 1.00 0.00 N flip ATOM 0 H GLN A 5 58.961 -13.563 15.219 1.00 0.00 H new ATOM 0 HA GLN A 5 59.369 -16.418 14.790 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.277 -14.496 12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.224 -16.247 12.409 1.00 0.00 H new ATOM 0 HG2 GLN A 5 56.972 -16.172 13.562 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.024 -14.421 13.506 1.00 0.00 H new ATOM 0 HE21 GLN A 5 54.961 -15.129 12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.245 -15.260 10.410 1.00 0.00 H new ATOM 89 N THR A 6 61.733 -15.964 14.107 1.00 0.00 N ATOM 90 CA THR A 6 63.152 -15.753 14.049 1.00 0.00 C ATOM 91 C THR A 6 63.613 -15.757 12.598 1.00 0.00 C ATOM 92 O THR A 6 63.648 -16.806 11.955 1.00 0.00 O ATOM 93 CB THR A 6 63.845 -16.869 14.823 1.00 0.00 C ATOM 94 OG1 THR A 6 63.029 -17.259 15.918 1.00 0.00 O ATOM 95 CG2 THR A 6 65.181 -16.372 15.337 1.00 0.00 C ATOM 0 H THR A 6 61.449 -16.927 13.926 1.00 0.00 H new ATOM 0 HA THR A 6 63.405 -14.789 14.492 1.00 0.00 H new ATOM 0 HB THR A 6 64.006 -17.724 14.167 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.472 -17.978 16.416 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.677 -17.169 15.891 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.805 -16.071 14.496 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.023 -15.518 15.995 1.00 0.00 H new ATOM 103 N VAL A 7 63.953 -14.582 12.077 1.00 0.00 N ATOM 104 CA VAL A 7 64.391 -14.485 10.686 1.00 0.00 C ATOM 105 C VAL A 7 65.915 -14.447 10.587 1.00 0.00 C ATOM 106 O VAL A 7 66.561 -13.526 11.085 1.00 0.00 O ATOM 107 CB VAL A 7 63.798 -13.222 10.035 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.562 -13.454 8.532 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.469 -12.871 10.714 1.00 0.00 C ATOM 0 H VAL A 7 63.935 -13.698 12.585 1.00 0.00 H new ATOM 0 HA VAL A 7 64.036 -15.370 10.159 1.00 0.00 H new ATOM 0 HB VAL A 7 64.502 -12.399 10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.143 -12.552 8.086 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.509 -13.692 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.867 -14.283 8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.050 -11.977 10.253 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.771 -13.700 10.598 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.640 -12.686 11.774 1.00 0.00 H new ATOM 119 N GLU A 8 66.483 -15.446 9.920 1.00 0.00 N ATOM 120 CA GLU A 8 67.928 -15.507 9.740 1.00 0.00 C ATOM 121 C GLU A 8 68.330 -14.608 8.580 1.00 0.00 C ATOM 122 O GLU A 8 67.966 -14.871 7.433 1.00 0.00 O ATOM 123 CB GLU A 8 68.362 -16.946 9.453 1.00 0.00 C ATOM 124 CG GLU A 8 67.718 -17.888 10.472 1.00 0.00 C ATOM 125 CD GLU A 8 66.248 -18.105 10.127 1.00 0.00 C ATOM 126 OE1 GLU A 8 65.434 -18.066 11.035 1.00 0.00 O ATOM 127 OE2 GLU A 8 65.958 -18.307 8.959 1.00 0.00 O ATOM 0 H GLU A 8 65.969 -16.219 9.498 1.00 0.00 H new ATOM 0 HA GLU A 8 68.418 -15.167 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 8 68.068 -17.231 8.443 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.448 -17.026 9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.243 -18.843 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 8 67.807 -17.468 11.474 1.00 0.00 H new ATOM 134 N ILE A 9 69.062 -13.535 8.871 1.00 0.00 N ATOM 135 CA ILE A 9 69.463 -12.618 7.811 1.00 0.00 C ATOM 136 C ILE A 9 70.476 -13.250 6.881 1.00 0.00 C ATOM 137 O ILE A 9 71.288 -14.083 7.285 1.00 0.00 O ATOM 138 CB ILE A 9 70.113 -11.331 8.355 1.00 0.00 C ATOM 139 CG1 ILE A 9 70.100 -11.293 9.890 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.399 -10.110 7.785 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.733 -10.849 10.437 1.00 0.00 C ATOM 0 H ILE A 9 69.382 -13.284 9.807 1.00 0.00 H new ATOM 0 HA ILE A 9 68.539 -12.379 7.284 1.00 0.00 H new ATOM 0 HB ILE A 9 71.156 -11.320 8.038 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.345 -12.281 10.280 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.873 -10.610 10.244 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.863 -9.203 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.474 -10.119 6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.349 -10.134 8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.764 -10.835 11.526 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.500 -9.850 10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.964 -11.547 10.105 1.00 0.00 H new ATOM 311 N ALA A 20 62.627 -1.504 7.730 1.00 0.00 N ATOM 312 CA ALA A 20 62.452 -1.690 9.159 1.00 0.00 C ATOM 313 C ALA A 20 61.731 -0.492 9.751 1.00 0.00 C ATOM 314 O ALA A 20 61.075 -0.596 10.785 1.00 0.00 O ATOM 315 CB ALA A 20 63.814 -1.884 9.818 1.00 0.00 C ATOM 0 HA ALA A 20 61.847 -2.578 9.342 1.00 0.00 H new ATOM 0 HB1 ALA A 20 63.682 -2.024 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.301 -2.762 9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.433 -1.005 9.640 1.00 0.00 H new ATOM 321 N MET A 21 61.839 0.642 9.071 1.00 0.00 N ATOM 322 CA MET A 21 61.173 1.846 9.518 1.00 0.00 C ATOM 323 C MET A 21 59.745 1.852 8.997 1.00 0.00 C ATOM 324 O MET A 21 58.872 2.519 9.550 1.00 0.00 O ATOM 325 CB MET A 21 61.936 3.075 9.034 1.00 0.00 C ATOM 326 CG MET A 21 63.253 3.164 9.805 1.00 0.00 C ATOM 327 SD MET A 21 64.060 4.747 9.458 1.00 0.00 S ATOM 328 CE MET A 21 62.840 5.815 10.265 1.00 0.00 C ATOM 0 H MET A 21 62.380 0.748 8.213 1.00 0.00 H new ATOM 0 HA MET A 21 61.149 1.871 10.607 1.00 0.00 H new ATOM 0 HB2 MET A 21 62.128 3.004 7.963 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.343 3.976 9.192 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.066 3.067 10.875 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.908 2.341 9.520 1.00 0.00 H new ATOM 0 HE1 MET A 21 63.342 6.684 10.691 1.00 0.00 H new ATOM 0 HE2 MET A 21 62.104 6.145 9.532 1.00 0.00 H new ATOM 0 HE3 MET A 21 62.339 5.260 11.058 1.00 0.00 H new ATOM 338 N LYS A 22 59.507 1.069 7.946 1.00 0.00 N ATOM 339 CA LYS A 22 58.169 0.964 7.389 1.00 0.00 C ATOM 340 C LYS A 22 57.257 0.353 8.445 1.00 0.00 C ATOM 341 O LYS A 22 56.124 0.781 8.625 1.00 0.00 O ATOM 342 CB LYS A 22 58.186 0.115 6.105 1.00 0.00 C ATOM 343 CG LYS A 22 57.613 -1.287 6.363 1.00 0.00 C ATOM 344 CD LYS A 22 57.808 -2.165 5.117 1.00 0.00 C ATOM 345 CE LYS A 22 56.480 -2.827 4.733 1.00 0.00 C ATOM 346 NZ LYS A 22 55.846 -3.418 5.947 1.00 0.00 N ATOM 0 H LYS A 22 60.215 0.508 7.472 1.00 0.00 H new ATOM 0 HA LYS A 22 57.795 1.951 7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.604 0.612 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 22 59.207 0.031 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 22 58.110 -1.741 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 22 56.553 -1.218 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.176 -1.559 4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 22 58.561 -2.928 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 22 55.812 -2.092 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 22 56.651 -3.602 3.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 54.894 -3.761 5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 56.425 -4.211 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 55.777 -2.694 6.690 1.00 0.00 H new ATOM 360 N LEU A 23 57.791 -0.621 9.177 1.00 0.00 N ATOM 361 CA LEU A 23 57.059 -1.257 10.253 1.00 0.00 C ATOM 362 C LEU A 23 56.326 -0.187 11.035 1.00 0.00 C ATOM 363 O LEU A 23 55.133 -0.287 11.307 1.00 0.00 O ATOM 364 CB LEU A 23 58.064 -1.929 11.189 1.00 0.00 C ATOM 365 CG LEU A 23 58.317 -3.387 10.799 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.247 -3.471 9.578 1.00 0.00 C ATOM 367 CD2 LEU A 23 58.976 -4.078 11.992 1.00 0.00 C ATOM 0 H LEU A 23 58.734 -0.984 9.038 1.00 0.00 H new ATOM 0 HA LEU A 23 56.356 -1.988 9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.005 -1.379 11.168 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.692 -1.886 12.213 1.00 0.00 H new ATOM 0 HG LEU A 23 57.375 -3.869 10.538 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.413 -4.517 9.318 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.787 -2.956 8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.201 -3.000 9.814 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.170 -5.122 11.746 1.00 0.00 H new ATOM 0 HD22 LEU A 23 59.916 -3.580 12.227 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.312 -4.026 12.855 1.00 0.00 H new ATOM 379 N PHE A 24 57.089 0.828 11.405 1.00 0.00 N ATOM 380 CA PHE A 24 56.578 1.935 12.184 1.00 0.00 C ATOM 381 C PHE A 24 55.577 2.764 11.379 1.00 0.00 C ATOM 382 O PHE A 24 54.401 2.883 11.741 1.00 0.00 O ATOM 383 CB PHE A 24 57.749 2.824 12.612 1.00 0.00 C ATOM 384 CG PHE A 24 59.020 2.016 12.834 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.251 2.685 12.835 1.00 0.00 C ATOM 386 CD2 PHE A 24 58.990 0.622 13.033 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.439 1.978 13.027 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.185 -0.078 13.223 1.00 0.00 C ATOM 389 CZ PHE A 24 61.405 0.599 13.217 1.00 0.00 C ATOM 0 H PHE A 24 58.079 0.904 11.172 1.00 0.00 H new ATOM 0 HA PHE A 24 56.063 1.537 13.058 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.928 3.581 11.849 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.489 3.351 13.530 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.281 3.754 12.686 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.047 0.096 13.039 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.384 2.500 13.028 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.164 -1.147 13.375 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.325 0.052 13.360 1.00 0.00 H new ATOM 399 N GLU A 25 56.047 3.330 10.279 1.00 0.00 N ATOM 400 CA GLU A 25 55.182 4.139 9.434 1.00 0.00 C ATOM 401 C GLU A 25 54.050 3.288 8.898 1.00 0.00 C ATOM 402 O GLU A 25 52.954 3.783 8.644 1.00 0.00 O ATOM 403 CB GLU A 25 55.980 4.742 8.276 1.00 0.00 C ATOM 404 CG GLU A 25 56.852 5.887 8.796 1.00 0.00 C ATOM 405 CD GLU A 25 55.994 7.121 9.053 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.735 7.846 8.106 1.00 0.00 O ATOM 407 OE2 GLU A 25 55.607 7.323 10.192 1.00 0.00 O ATOM 0 H GLU A 25 57.010 3.247 9.953 1.00 0.00 H new ATOM 0 HA GLU A 25 54.768 4.953 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.604 3.977 7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.302 5.109 7.506 1.00 0.00 H new ATOM 0 HG2 GLU A 25 57.353 5.585 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.631 6.120 8.070 1.00 0.00 H new ATOM 414 N LEU A 26 54.315 1.999 8.749 1.00 0.00 N ATOM 415 CA LEU A 26 53.299 1.085 8.270 1.00 0.00 C ATOM 416 C LEU A 26 52.449 0.639 9.447 1.00 0.00 C ATOM 417 O LEU A 26 51.261 0.365 9.304 1.00 0.00 O ATOM 418 CB LEU A 26 53.944 -0.117 7.568 1.00 0.00 C ATOM 419 CG LEU A 26 52.900 -0.937 6.799 1.00 0.00 C ATOM 420 CD1 LEU A 26 52.359 -2.023 7.709 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.736 -0.063 6.321 1.00 0.00 C ATOM 0 H LEU A 26 55.217 1.569 8.952 1.00 0.00 H new ATOM 0 HA LEU A 26 52.665 1.588 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.715 0.231 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.437 -0.751 8.305 1.00 0.00 H new ATOM 0 HG LEU A 26 53.384 -1.369 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 26 51.616 -2.612 7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 26 53.175 -2.672 8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 26 51.897 -1.567 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.017 -0.679 5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.248 0.395 7.181 1.00 0.00 H new ATOM 0 HD23 LEU A 26 52.114 0.717 5.661 1.00 0.00 H new ATOM 433 N MET A 27 53.057 0.606 10.627 1.00 0.00 N ATOM 434 CA MET A 27 52.324 0.241 11.823 1.00 0.00 C ATOM 435 C MET A 27 51.092 1.122 11.865 1.00 0.00 C ATOM 436 O MET A 27 50.032 0.720 12.342 1.00 0.00 O ATOM 437 CB MET A 27 53.171 0.468 13.088 1.00 0.00 C ATOM 438 CG MET A 27 53.651 -0.870 13.670 1.00 0.00 C ATOM 439 SD MET A 27 53.868 -0.702 15.460 1.00 0.00 S ATOM 440 CE MET A 27 55.353 0.328 15.423 1.00 0.00 C ATOM 0 H MET A 27 54.042 0.825 10.776 1.00 0.00 H new ATOM 0 HA MET A 27 52.062 -0.817 11.797 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.030 1.095 12.848 1.00 0.00 H new ATOM 0 HB3 MET A 27 52.583 1.004 13.833 1.00 0.00 H new ATOM 0 HG2 MET A 27 52.927 -1.655 13.452 1.00 0.00 H new ATOM 0 HG3 MET A 27 54.591 -1.166 13.204 1.00 0.00 H new ATOM 0 HE1 MET A 27 55.736 0.451 16.436 1.00 0.00 H new ATOM 0 HE2 MET A 27 56.112 -0.150 14.804 1.00 0.00 H new ATOM 0 HE3 MET A 27 55.108 1.305 15.007 1.00 0.00 H new ATOM 450 N GLN A 28 51.236 2.328 11.314 1.00 0.00 N ATOM 451 CA GLN A 28 50.107 3.239 11.258 1.00 0.00 C ATOM 452 C GLN A 28 49.048 2.597 10.373 1.00 0.00 C ATOM 453 O GLN A 28 47.889 3.010 10.351 1.00 0.00 O ATOM 454 CB GLN A 28 50.542 4.600 10.691 1.00 0.00 C ATOM 455 CG GLN A 28 50.322 4.643 9.174 1.00 0.00 C ATOM 456 CD GLN A 28 51.101 5.805 8.568 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.862 5.617 7.619 1.00 0.00 O ATOM 458 NE2 GLN A 28 50.956 7.004 9.064 1.00 0.00 N ATOM 0 H GLN A 28 52.103 2.685 10.911 1.00 0.00 H new ATOM 0 HA GLN A 28 49.707 3.418 12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 28 49.975 5.398 11.170 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.594 4.776 10.917 1.00 0.00 H new ATOM 0 HG2 GLN A 28 50.645 3.704 8.724 1.00 0.00 H new ATOM 0 HG3 GLN A 28 49.260 4.753 8.955 1.00 0.00 H new ATOM 0 HE21 GLN A 28 50.325 7.158 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.474 7.787 8.665 1.00 0.00 H new ATOM 467 N GLY A 29 49.479 1.551 9.667 1.00 0.00 N ATOM 468 CA GLY A 29 48.591 0.790 8.788 1.00 0.00 C ATOM 469 C GLY A 29 48.173 -0.498 9.487 1.00 0.00 C ATOM 470 O GLY A 29 47.007 -0.890 9.451 1.00 0.00 O ATOM 0 H GLY A 29 50.440 1.211 9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.712 1.384 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.098 0.561 7.851 1.00 0.00 H new ATOM 474 N PHE A 30 49.135 -1.125 10.161 1.00 0.00 N ATOM 475 CA PHE A 30 48.867 -2.344 10.919 1.00 0.00 C ATOM 476 C PHE A 30 48.879 -1.998 12.399 1.00 0.00 C ATOM 477 O PHE A 30 49.846 -1.417 12.890 1.00 0.00 O ATOM 478 CB PHE A 30 49.943 -3.414 10.706 1.00 0.00 C ATOM 479 CG PHE A 30 50.060 -3.874 9.270 1.00 0.00 C ATOM 480 CD1 PHE A 30 51.316 -4.246 8.808 1.00 0.00 C ATOM 481 CD2 PHE A 30 48.949 -3.984 8.424 1.00 0.00 C ATOM 482 CE1 PHE A 30 51.490 -4.726 7.511 1.00 0.00 C ATOM 483 CE2 PHE A 30 49.120 -4.454 7.114 1.00 0.00 C ATOM 484 CZ PHE A 30 50.394 -4.827 6.658 1.00 0.00 C ATOM 0 H PHE A 30 50.104 -0.810 10.197 1.00 0.00 H new ATOM 0 HA PHE A 30 47.908 -2.735 10.580 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.905 -3.020 11.033 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.719 -4.274 11.338 1.00 0.00 H new ATOM 0 HD1 PHE A 30 52.170 -4.162 9.463 1.00 0.00 H new ATOM 0 HD2 PHE A 30 47.967 -3.709 8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 30 52.472 -5.019 7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 30 48.269 -4.529 6.454 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.524 -5.191 5.649 1.00 0.00 H new ATOM 494 N ASP A 31 47.844 -2.387 13.126 1.00 0.00 N ATOM 495 CA ASP A 31 47.821 -2.128 14.544 1.00 0.00 C ATOM 496 C ASP A 31 48.480 -3.306 15.201 1.00 0.00 C ATOM 497 O ASP A 31 47.873 -4.366 15.350 1.00 0.00 O ATOM 498 CB ASP A 31 46.386 -1.961 15.043 1.00 0.00 C ATOM 499 CG ASP A 31 46.364 -1.902 16.567 1.00 0.00 C ATOM 500 OD1 ASP A 31 45.280 -1.835 17.122 1.00 0.00 O ATOM 501 OD2 ASP A 31 47.432 -1.925 17.157 1.00 0.00 O ATOM 0 H ASP A 31 47.026 -2.874 12.760 1.00 0.00 H new ATOM 0 HA ASP A 31 48.345 -1.202 14.782 1.00 0.00 H new ATOM 0 HB2 ASP A 31 45.953 -1.050 14.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 45.773 -2.792 14.695 1.00 0.00 H new ATOM 506 N ALA A 32 49.740 -3.138 15.551 1.00 0.00 N ATOM 507 CA ALA A 32 50.474 -4.206 16.137 1.00 0.00 C ATOM 508 C ALA A 32 51.805 -3.703 16.616 1.00 0.00 C ATOM 509 O ALA A 32 52.382 -2.780 16.045 1.00 0.00 O ATOM 510 CB ALA A 32 50.683 -5.303 15.115 1.00 0.00 C ATOM 0 H ALA A 32 50.262 -2.270 15.434 1.00 0.00 H new ATOM 0 HA ALA A 32 49.914 -4.604 16.983 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.246 -6.119 15.568 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.716 -5.673 14.776 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.238 -4.907 14.265 1.00 0.00 H new ATOM 516 N GLU A 33 52.281 -4.312 17.666 1.00 0.00 N ATOM 517 CA GLU A 33 53.536 -3.938 18.241 1.00 0.00 C ATOM 518 C GLU A 33 54.592 -4.938 17.847 1.00 0.00 C ATOM 519 O GLU A 33 54.811 -5.945 18.518 1.00 0.00 O ATOM 520 CB GLU A 33 53.355 -3.896 19.732 1.00 0.00 C ATOM 521 CG GLU A 33 53.918 -2.589 20.268 1.00 0.00 C ATOM 522 CD GLU A 33 53.870 -2.578 21.792 1.00 0.00 C ATOM 523 OE1 GLU A 33 54.664 -3.281 22.396 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.040 -1.866 22.334 1.00 0.00 O ATOM 0 H GLU A 33 51.809 -5.079 18.144 1.00 0.00 H new ATOM 0 HA GLU A 33 53.860 -2.961 17.883 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.298 -3.981 19.984 1.00 0.00 H new ATOM 0 HB3 GLU A 33 53.863 -4.742 20.196 1.00 0.00 H new ATOM 0 HG2 GLU A 33 54.946 -2.462 19.929 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.346 -1.749 19.873 1.00 0.00 H new ATOM 531 N VAL A 34 55.230 -4.644 16.741 1.00 0.00 N ATOM 532 CA VAL A 34 56.265 -5.520 16.216 1.00 0.00 C ATOM 533 C VAL A 34 57.556 -5.327 16.992 1.00 0.00 C ATOM 534 O VAL A 34 58.049 -4.209 17.118 1.00 0.00 O ATOM 535 CB VAL A 34 56.534 -5.228 14.732 1.00 0.00 C ATOM 536 CG1 VAL A 34 56.996 -6.510 14.010 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.272 -4.673 14.063 1.00 0.00 C ATOM 0 H VAL A 34 55.056 -3.808 16.183 1.00 0.00 H new ATOM 0 HA VAL A 34 55.915 -6.547 16.321 1.00 0.00 H new ATOM 0 HB VAL A 34 57.325 -4.482 14.663 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.183 -6.289 12.959 1.00 0.00 H new ATOM 0 HG12 VAL A 34 57.912 -6.878 14.472 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.220 -7.271 14.088 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.477 -4.470 13.012 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.467 -5.404 14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.973 -3.749 14.559 1.00 0.00 H new ATOM 547 N LEU A 35 58.103 -6.416 17.521 1.00 0.00 N ATOM 548 CA LEU A 35 59.337 -6.320 18.283 1.00 0.00 C ATOM 549 C LEU A 35 60.486 -7.019 17.545 1.00 0.00 C ATOM 550 O LEU A 35 60.375 -8.179 17.146 1.00 0.00 O ATOM 551 CB LEU A 35 59.120 -6.914 19.685 1.00 0.00 C ATOM 552 CG LEU A 35 60.300 -7.794 20.111 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.596 -6.968 20.137 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.012 -8.351 21.507 1.00 0.00 C ATOM 0 H LEU A 35 57.719 -7.357 17.438 1.00 0.00 H new ATOM 0 HA LEU A 35 59.615 -5.272 18.391 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.987 -6.108 20.406 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.203 -7.504 19.694 1.00 0.00 H new ATOM 0 HG LEU A 35 60.426 -8.611 19.400 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.427 -7.604 20.441 1.00 0.00 H new ATOM 0 HD12 LEU A 35 61.791 -6.566 19.143 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.490 -6.147 20.846 1.00 0.00 H new ATOM 0 HD21 LEU A 35 60.843 -8.980 21.826 1.00 0.00 H new ATOM 0 HD22 LEU A 35 59.891 -7.527 22.210 1.00 0.00 H new ATOM 0 HD23 LEU A 35 59.097 -8.943 21.481 1.00 0.00 H new ATOM 566 N LEU A 36 61.577 -6.281 17.349 1.00 0.00 N ATOM 567 CA LEU A 36 62.754 -6.783 16.638 1.00 0.00 C ATOM 568 C LEU A 36 63.936 -7.023 17.582 1.00 0.00 C ATOM 569 O LEU A 36 64.375 -6.109 18.268 1.00 0.00 O ATOM 570 CB LEU A 36 63.173 -5.729 15.623 1.00 0.00 C ATOM 571 CG LEU A 36 62.343 -5.862 14.345 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.852 -5.919 14.692 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.602 -4.648 13.457 1.00 0.00 C ATOM 0 H LEU A 36 61.671 -5.320 17.677 1.00 0.00 H new ATOM 0 HA LEU A 36 62.492 -7.731 16.168 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.042 -4.734 16.047 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.232 -5.840 15.390 1.00 0.00 H new ATOM 0 HG LEU A 36 62.626 -6.777 13.825 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.269 -6.014 13.776 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.661 -6.778 15.335 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.564 -5.006 15.213 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.014 -4.734 12.543 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.316 -3.741 13.989 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.661 -4.601 13.204 1.00 0.00 H new ATOM 585 N ARG A 37 64.467 -8.244 17.592 1.00 0.00 N ATOM 586 CA ARG A 37 65.610 -8.561 18.424 1.00 0.00 C ATOM 587 C ARG A 37 66.467 -9.631 17.786 1.00 0.00 C ATOM 588 O ARG A 37 65.993 -10.422 16.980 1.00 0.00 O ATOM 589 CB ARG A 37 65.162 -9.073 19.778 1.00 0.00 C ATOM 590 CG ARG A 37 64.300 -10.315 19.600 1.00 0.00 C ATOM 591 CD ARG A 37 63.505 -10.583 20.878 1.00 0.00 C ATOM 592 NE ARG A 37 64.313 -10.276 22.053 1.00 0.00 N ATOM 593 CZ ARG A 37 63.756 -10.136 23.251 1.00 0.00 C ATOM 594 NH1 ARG A 37 64.499 -9.863 24.288 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.465 -10.270 23.390 1.00 0.00 N ATOM 0 H ARG A 37 64.120 -9.023 17.033 1.00 0.00 H new ATOM 0 HA ARG A 37 66.185 -7.642 18.538 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.030 -9.307 20.394 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.599 -8.300 20.301 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.619 -10.179 18.760 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.928 -11.174 19.365 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.599 -9.978 20.884 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.192 -11.627 20.907 1.00 0.00 H new ATOM 0 HE ARG A 37 65.322 -10.167 21.953 1.00 0.00 H new ATOM 0 HH11 ARG A 37 65.508 -9.757 24.179 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.071 -9.756 25.208 1.00 0.00 H new ATOM 0 HH21 ARG A 37 61.884 -10.482 22.579 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.037 -10.163 24.310 1.00 0.00 H new ATOM 609 N ASN A 38 67.720 -9.686 18.202 1.00 0.00 N ATOM 610 CA ASN A 38 68.632 -10.706 17.704 1.00 0.00 C ATOM 611 C ASN A 38 68.811 -11.773 18.757 1.00 0.00 C ATOM 612 O ASN A 38 69.003 -11.456 19.938 1.00 0.00 O ATOM 613 CB ASN A 38 70.022 -10.154 17.437 1.00 0.00 C ATOM 614 CG ASN A 38 70.057 -9.216 16.259 1.00 0.00 C ATOM 615 OD1 ASN A 38 70.887 -8.222 16.301 1.00 0.00 O flip ATOM 616 ND2 ASN A 38 69.337 -9.396 15.279 1.00 0.00 N flip ATOM 0 H ASN A 38 68.129 -9.042 18.879 1.00 0.00 H new ATOM 0 HA ASN A 38 68.197 -11.088 16.781 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.377 -9.630 18.324 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.709 -10.981 17.259 1.00 0.00 H new ATOM 0 HD21 ASN A 38 68.688 -10.183 15.260 1.00 0.00 H new ATOM 0 HD22 ASN A 38 69.388 -8.758 14.485 1.00 0.00 H new ATOM 623 N ASP A 39 68.813 -13.026 18.329 1.00 0.00 N ATOM 624 CA ASP A 39 69.034 -14.116 19.272 1.00 0.00 C ATOM 625 C ASP A 39 70.346 -13.868 20.002 1.00 0.00 C ATOM 626 O ASP A 39 70.708 -14.590 20.932 1.00 0.00 O ATOM 627 CB ASP A 39 69.090 -15.464 18.554 1.00 0.00 C ATOM 628 CG ASP A 39 69.353 -16.578 19.562 1.00 0.00 C ATOM 629 OD1 ASP A 39 70.006 -17.540 19.195 1.00 0.00 O ATOM 630 OD2 ASP A 39 68.897 -16.452 20.687 1.00 0.00 O ATOM 0 H ASP A 39 68.668 -13.311 17.360 1.00 0.00 H new ATOM 0 HA ASP A 39 68.205 -14.148 19.979 1.00 0.00 H new ATOM 0 HB2 ASP A 39 68.150 -15.648 18.033 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.876 -15.452 17.799 1.00 0.00 H new ATOM 635 N GLU A 40 71.046 -12.822 19.568 1.00 0.00 N ATOM 636 CA GLU A 40 72.316 -12.443 20.169 1.00 0.00 C ATOM 637 C GLU A 40 72.074 -11.796 21.522 1.00 0.00 C ATOM 638 O GLU A 40 72.971 -11.724 22.362 1.00 0.00 O ATOM 639 CB GLU A 40 73.018 -11.423 19.267 1.00 0.00 C ATOM 640 CG GLU A 40 73.738 -12.136 18.125 1.00 0.00 C ATOM 641 CD GLU A 40 74.920 -12.935 18.665 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.143 -14.029 18.175 1.00 0.00 O ATOM 643 OE2 GLU A 40 75.585 -12.440 19.560 1.00 0.00 O ATOM 0 H GLU A 40 70.750 -12.221 18.798 1.00 0.00 H new ATOM 0 HA GLU A 40 72.931 -13.335 20.288 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.289 -10.720 18.864 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.732 -10.842 19.850 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.046 -12.801 17.608 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.086 -11.407 17.393 1.00 0.00 H new ATOM 650 N GLY A 41 70.857 -11.304 21.712 1.00 0.00 N ATOM 651 CA GLY A 41 70.495 -10.634 22.949 1.00 0.00 C ATOM 652 C GLY A 41 70.169 -9.179 22.657 1.00 0.00 C ATOM 653 O GLY A 41 69.863 -8.403 23.562 1.00 0.00 O ATOM 0 H GLY A 41 70.106 -11.357 21.024 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.636 -11.126 23.404 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.315 -10.698 23.664 1.00 0.00 H new ATOM 657 N THR A 42 70.221 -8.820 21.374 1.00 0.00 N ATOM 658 CA THR A 42 69.908 -7.449 20.970 1.00 0.00 C ATOM 659 C THR A 42 68.402 -7.319 20.802 1.00 0.00 C ATOM 660 O THR A 42 67.788 -8.130 20.116 1.00 0.00 O ATOM 661 CB THR A 42 70.625 -7.088 19.661 1.00 0.00 C ATOM 662 OG1 THR A 42 72.011 -6.909 19.915 1.00 0.00 O ATOM 663 CG2 THR A 42 70.041 -5.795 19.096 1.00 0.00 C ATOM 0 H THR A 42 70.472 -9.446 20.609 1.00 0.00 H new ATOM 0 HA THR A 42 70.254 -6.759 21.739 1.00 0.00 H new ATOM 0 HB THR A 42 70.487 -7.893 18.939 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.470 -6.680 19.080 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.551 -5.541 18.167 1.00 0.00 H new ATOM 0 HG22 THR A 42 68.977 -5.931 18.900 1.00 0.00 H new ATOM 0 HG23 THR A 42 70.177 -4.989 19.817 1.00 0.00 H new ATOM 671 N GLU A 43 67.803 -6.319 21.450 1.00 0.00 N ATOM 672 CA GLU A 43 66.352 -6.144 21.373 1.00 0.00 C ATOM 673 C GLU A 43 65.957 -4.771 20.841 1.00 0.00 C ATOM 674 O GLU A 43 66.453 -3.744 21.302 1.00 0.00 O ATOM 675 CB GLU A 43 65.735 -6.345 22.761 1.00 0.00 C ATOM 676 CG GLU A 43 66.566 -7.359 23.551 1.00 0.00 C ATOM 677 CD GLU A 43 65.885 -7.669 24.879 1.00 0.00 C ATOM 678 OE1 GLU A 43 66.559 -8.170 25.764 1.00 0.00 O ATOM 679 OE2 GLU A 43 64.700 -7.401 24.991 1.00 0.00 O ATOM 0 H GLU A 43 68.289 -5.630 22.024 1.00 0.00 H new ATOM 0 HA GLU A 43 65.974 -6.890 20.674 1.00 0.00 H new ATOM 0 HB2 GLU A 43 65.698 -5.395 23.295 1.00 0.00 H new ATOM 0 HB3 GLU A 43 64.708 -6.697 22.666 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.685 -8.274 22.971 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.566 -6.962 23.729 1.00 0.00 H new ATOM 686 N ALA A 44 65.047 -4.770 19.864 1.00 0.00 N ATOM 687 CA ALA A 44 64.573 -3.532 19.268 1.00 0.00 C ATOM 688 C ALA A 44 63.065 -3.546 19.054 1.00 0.00 C ATOM 689 O ALA A 44 62.538 -4.379 18.320 1.00 0.00 O ATOM 690 CB ALA A 44 65.254 -3.325 17.923 1.00 0.00 C ATOM 0 H ALA A 44 64.628 -5.614 19.474 1.00 0.00 H new ATOM 0 HA ALA A 44 64.815 -2.721 19.955 1.00 0.00 H new ATOM 0 HB1 ALA A 44 64.899 -2.397 17.475 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.333 -3.270 18.066 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.018 -4.160 17.263 1.00 0.00 H new ATOM 696 N GLU A 45 62.387 -2.588 19.672 1.00 0.00 N ATOM 697 CA GLU A 45 60.948 -2.461 19.516 1.00 0.00 C ATOM 698 C GLU A 45 60.659 -1.700 18.234 1.00 0.00 C ATOM 699 O GLU A 45 60.973 -0.515 18.134 1.00 0.00 O ATOM 700 CB GLU A 45 60.361 -1.699 20.703 1.00 0.00 C ATOM 701 CG GLU A 45 60.233 -2.644 21.890 1.00 0.00 C ATOM 702 CD GLU A 45 59.623 -1.911 23.080 1.00 0.00 C ATOM 703 OE1 GLU A 45 58.762 -1.076 22.858 1.00 0.00 O ATOM 704 OE2 GLU A 45 60.025 -2.197 24.195 1.00 0.00 O ATOM 0 H GLU A 45 62.811 -1.890 20.284 1.00 0.00 H new ATOM 0 HA GLU A 45 60.496 -3.452 19.472 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.001 -0.856 20.962 1.00 0.00 H new ATOM 0 HB3 GLU A 45 59.385 -1.290 20.441 1.00 0.00 H new ATOM 0 HG2 GLU A 45 59.610 -3.497 21.620 1.00 0.00 H new ATOM 0 HG3 GLU A 45 61.213 -3.037 22.159 1.00 0.00 H new ATOM 711 N ALA A 46 60.080 -2.380 17.250 1.00 0.00 N ATOM 712 CA ALA A 46 59.783 -1.737 15.980 1.00 0.00 C ATOM 713 C ALA A 46 59.316 -0.305 16.188 1.00 0.00 C ATOM 714 O ALA A 46 58.122 -0.043 16.317 1.00 0.00 O ATOM 715 CB ALA A 46 58.707 -2.510 15.248 1.00 0.00 C ATOM 0 H ALA A 46 59.811 -3.362 17.307 1.00 0.00 H new ATOM 0 HA ALA A 46 60.698 -1.725 15.388 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.491 -2.022 14.298 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.052 -3.527 15.063 1.00 0.00 H new ATOM 0 HB3 ALA A 46 57.802 -2.539 15.855 1.00 0.00 H new ATOM 721 N ASN A 47 60.274 0.607 16.222 1.00 0.00 N ATOM 722 CA ASN A 47 59.987 2.019 16.421 1.00 0.00 C ATOM 723 C ASN A 47 61.234 2.711 16.947 1.00 0.00 C ATOM 724 O ASN A 47 61.408 3.916 16.771 1.00 0.00 O ATOM 725 CB ASN A 47 58.828 2.201 17.414 1.00 0.00 C ATOM 726 CG ASN A 47 58.894 3.581 18.064 1.00 0.00 C ATOM 727 OD1 ASN A 47 59.750 3.829 18.912 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.033 4.498 17.714 1.00 0.00 N ATOM 0 H ASN A 47 61.265 0.392 16.113 1.00 0.00 H new ATOM 0 HA ASN A 47 59.694 2.461 15.469 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.876 2.081 16.897 1.00 0.00 H new ATOM 0 HB3 ASN A 47 58.874 1.428 18.181 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.069 5.422 18.144 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.324 4.290 17.011 1.00 0.00 H new ATOM 735 N SER A 48 62.105 1.938 17.596 1.00 0.00 N ATOM 736 CA SER A 48 63.332 2.498 18.139 1.00 0.00 C ATOM 737 C SER A 48 64.477 2.352 17.140 1.00 0.00 C ATOM 738 O SER A 48 65.332 1.479 17.288 1.00 0.00 O ATOM 739 CB SER A 48 63.689 1.783 19.436 1.00 0.00 C ATOM 740 OG SER A 48 62.721 2.099 20.428 1.00 0.00 O ATOM 0 H SER A 48 61.983 0.938 17.755 1.00 0.00 H new ATOM 0 HA SER A 48 63.175 3.559 18.336 1.00 0.00 H new ATOM 0 HB2 SER A 48 63.722 0.706 19.274 1.00 0.00 H new ATOM 0 HB3 SER A 48 64.681 2.086 19.770 1.00 0.00 H new ATOM 0 HG SER A 48 62.947 1.639 21.263 1.00 0.00 H new ATOM 746 N VAL A 49 64.490 3.211 16.123 1.00 0.00 N ATOM 747 CA VAL A 49 65.541 3.162 15.109 1.00 0.00 C ATOM 748 C VAL A 49 66.897 2.938 15.763 1.00 0.00 C ATOM 749 O VAL A 49 67.765 2.264 15.208 1.00 0.00 O ATOM 750 CB VAL A 49 65.575 4.469 14.313 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.969 4.182 12.861 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.190 5.121 14.343 1.00 0.00 C ATOM 0 H VAL A 49 63.793 3.942 15.980 1.00 0.00 H new ATOM 0 HA VAL A 49 65.324 2.334 14.434 1.00 0.00 H new ATOM 0 HB VAL A 49 66.307 5.142 14.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.992 5.116 12.299 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.956 3.720 12.836 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.240 3.506 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.214 6.052 13.776 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.460 4.444 13.899 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.909 5.332 15.375 1.00 0.00 H new ATOM 762 N ILE A 50 67.066 3.504 16.952 1.00 0.00 N ATOM 763 CA ILE A 50 68.292 3.370 17.690 1.00 0.00 C ATOM 764 C ILE A 50 68.530 1.902 17.994 1.00 0.00 C ATOM 765 O ILE A 50 69.648 1.396 17.890 1.00 0.00 O ATOM 766 CB ILE A 50 68.132 4.191 18.974 1.00 0.00 C ATOM 767 CG1 ILE A 50 69.252 5.228 19.077 1.00 0.00 C ATOM 768 CG2 ILE A 50 68.132 3.293 20.204 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.621 4.538 19.025 1.00 0.00 C ATOM 0 H ILE A 50 66.354 4.064 17.420 1.00 0.00 H new ATOM 0 HA ILE A 50 69.152 3.733 17.127 1.00 0.00 H new ATOM 0 HB ILE A 50 67.172 4.705 18.931 1.00 0.00 H new ATOM 0 HG12 ILE A 50 69.168 5.947 18.262 1.00 0.00 H new ATOM 0 HG13 ILE A 50 69.154 5.788 20.007 1.00 0.00 H new ATOM 0 HG21 ILE A 50 68.017 3.903 21.100 1.00 0.00 H new ATOM 0 HG22 ILE A 50 67.305 2.586 20.138 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.074 2.747 20.256 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.409 5.287 19.099 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.707 3.837 19.855 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.721 3.998 18.083 1.00 0.00 H new ATOM 781 N ALA A 51 67.452 1.231 18.361 1.00 0.00 N ATOM 782 CA ALA A 51 67.512 -0.179 18.674 1.00 0.00 C ATOM 783 C ALA A 51 67.784 -0.977 17.407 1.00 0.00 C ATOM 784 O ALA A 51 68.515 -1.967 17.430 1.00 0.00 O ATOM 785 CB ALA A 51 66.192 -0.615 19.306 1.00 0.00 C ATOM 0 H ALA A 51 66.524 1.645 18.449 1.00 0.00 H new ATOM 0 HA ALA A 51 68.321 -0.363 19.381 1.00 0.00 H new ATOM 0 HB1 ALA A 51 66.236 -1.678 19.543 1.00 0.00 H new ATOM 0 HB2 ALA A 51 66.021 -0.046 20.220 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.376 -0.432 18.607 1.00 0.00 H new ATOM 791 N LEU A 52 67.205 -0.528 16.297 1.00 0.00 N ATOM 792 CA LEU A 52 67.409 -1.197 15.027 1.00 0.00 C ATOM 793 C LEU A 52 68.858 -1.036 14.594 1.00 0.00 C ATOM 794 O LEU A 52 69.443 -1.940 14.000 1.00 0.00 O ATOM 795 CB LEU A 52 66.459 -0.625 13.975 1.00 0.00 C ATOM 796 CG LEU A 52 65.075 -1.283 14.115 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.200 -0.454 15.056 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.411 -1.368 12.741 1.00 0.00 C ATOM 0 H LEU A 52 66.597 0.290 16.256 1.00 0.00 H new ATOM 0 HA LEU A 52 67.194 -2.260 15.137 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.373 0.455 14.097 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.858 -0.802 12.976 1.00 0.00 H new ATOM 0 HG LEU A 52 65.193 -2.286 14.526 1.00 0.00 H new ATOM 0 HD11 LEU A 52 63.221 -0.924 15.152 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.673 -0.397 16.037 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.082 0.551 14.652 1.00 0.00 H new ATOM 0 HD21 LEU A 52 63.431 -1.834 12.839 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.297 -0.365 12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 52 65.032 -1.966 12.073 1.00 0.00 H new ATOM 810 N LEU A 53 69.452 0.102 14.923 1.00 0.00 N ATOM 811 CA LEU A 53 70.849 0.312 14.588 1.00 0.00 C ATOM 812 C LEU A 53 71.669 -0.768 15.286 1.00 0.00 C ATOM 813 O LEU A 53 72.695 -1.225 14.785 1.00 0.00 O ATOM 814 CB LEU A 53 71.301 1.695 15.064 1.00 0.00 C ATOM 815 CG LEU A 53 72.393 2.238 14.136 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.905 3.572 14.679 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.555 1.240 14.065 1.00 0.00 C ATOM 0 H LEU A 53 69.000 0.876 15.410 1.00 0.00 H new ATOM 0 HA LEU A 53 70.989 0.257 13.508 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.452 2.379 15.079 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.678 1.632 16.085 1.00 0.00 H new ATOM 0 HG LEU A 53 71.978 2.383 13.138 1.00 0.00 H new ATOM 0 HD11 LEU A 53 73.682 3.959 14.020 1.00 0.00 H new ATOM 0 HD12 LEU A 53 72.082 4.285 14.728 1.00 0.00 H new ATOM 0 HD13 LEU A 53 73.317 3.424 15.677 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.329 1.630 13.404 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.969 1.093 15.062 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.193 0.287 13.678 1.00 0.00 H new ATOM 829 N MET A 54 71.183 -1.168 16.456 1.00 0.00 N ATOM 830 CA MET A 54 71.844 -2.195 17.253 1.00 0.00 C ATOM 831 C MET A 54 72.010 -3.491 16.453 1.00 0.00 C ATOM 832 O MET A 54 73.121 -4.000 16.310 1.00 0.00 O ATOM 833 CB MET A 54 71.026 -2.468 18.525 1.00 0.00 C ATOM 834 CG MET A 54 71.955 -2.947 19.643 1.00 0.00 C ATOM 835 SD MET A 54 72.998 -1.574 20.192 1.00 0.00 S ATOM 836 CE MET A 54 73.478 -2.281 21.787 1.00 0.00 C ATOM 0 H MET A 54 70.331 -0.795 16.875 1.00 0.00 H new ATOM 0 HA MET A 54 72.836 -1.834 17.525 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.505 -1.562 18.835 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.264 -3.221 18.324 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.369 -3.329 20.479 1.00 0.00 H new ATOM 0 HG3 MET A 54 72.576 -3.769 19.287 1.00 0.00 H new ATOM 0 HE1 MET A 54 74.137 -1.587 22.309 1.00 0.00 H new ATOM 0 HE2 MET A 54 72.587 -2.458 22.390 1.00 0.00 H new ATOM 0 HE3 MET A 54 73.999 -3.224 21.625 1.00 0.00 H new ATOM 846 N LEU A 55 70.901 -4.025 15.943 1.00 0.00 N ATOM 847 CA LEU A 55 70.948 -5.268 15.169 1.00 0.00 C ATOM 848 C LEU A 55 71.666 -5.060 13.838 1.00 0.00 C ATOM 849 O LEU A 55 71.975 -6.021 13.142 1.00 0.00 O ATOM 850 CB LEU A 55 69.534 -5.827 14.913 1.00 0.00 C ATOM 851 CG LEU A 55 68.486 -4.717 15.061 1.00 0.00 C ATOM 852 CD1 LEU A 55 67.254 -5.016 14.195 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.064 -4.626 16.524 1.00 0.00 C ATOM 0 H LEU A 55 69.969 -3.624 16.049 1.00 0.00 H new ATOM 0 HA LEU A 55 71.506 -5.993 15.762 1.00 0.00 H new ATOM 0 HB2 LEU A 55 69.481 -6.255 13.912 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.322 -6.633 15.616 1.00 0.00 H new ATOM 0 HG LEU A 55 68.921 -3.773 14.733 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.523 -4.217 14.314 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.552 -5.082 13.149 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.811 -5.962 14.506 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.319 -3.839 16.639 1.00 0.00 H new ATOM 0 HD22 LEU A 55 67.638 -5.578 16.840 1.00 0.00 H new ATOM 0 HD23 LEU A 55 68.933 -4.395 17.140 1.00 0.00 H new ATOM 865 N ASP A 56 71.932 -3.807 13.489 1.00 0.00 N ATOM 866 CA ASP A 56 72.623 -3.507 12.240 1.00 0.00 C ATOM 867 C ASP A 56 73.823 -4.421 12.110 1.00 0.00 C ATOM 868 O ASP A 56 74.048 -5.031 11.064 1.00 0.00 O ATOM 869 CB ASP A 56 73.075 -2.047 12.214 1.00 0.00 C ATOM 870 CG ASP A 56 73.545 -1.672 10.812 1.00 0.00 C ATOM 871 OD1 ASP A 56 73.486 -0.499 10.483 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.956 -2.564 10.089 1.00 0.00 O ATOM 0 H ASP A 56 71.683 -2.990 14.046 1.00 0.00 H new ATOM 0 HA ASP A 56 71.942 -3.669 11.405 1.00 0.00 H new ATOM 0 HB2 ASP A 56 72.254 -1.398 12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 56 73.882 -1.895 12.930 1.00 0.00 H new ATOM 877 N SER A 57 74.574 -4.538 13.197 1.00 0.00 N ATOM 878 CA SER A 57 75.730 -5.414 13.209 1.00 0.00 C ATOM 879 C SER A 57 75.284 -6.820 12.832 1.00 0.00 C ATOM 880 O SER A 57 76.107 -7.715 12.643 1.00 0.00 O ATOM 881 CB SER A 57 76.371 -5.428 14.597 1.00 0.00 C ATOM 882 OG SER A 57 76.874 -4.132 14.895 1.00 0.00 O ATOM 0 H SER A 57 74.403 -4.042 14.072 1.00 0.00 H new ATOM 0 HA SER A 57 76.467 -5.053 12.492 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.638 -5.727 15.346 1.00 0.00 H new ATOM 0 HB3 SER A 57 77.178 -6.160 14.630 1.00 0.00 H new ATOM 0 HG SER A 57 77.284 -4.137 15.785 1.00 0.00 H new ATOM 888 N ALA A 58 73.962 -6.998 12.722 1.00 0.00 N ATOM 889 CA ALA A 58 73.390 -8.300 12.359 1.00 0.00 C ATOM 890 C ALA A 58 74.344 -9.075 11.451 1.00 0.00 C ATOM 891 O ALA A 58 75.113 -9.916 11.905 1.00 0.00 O ATOM 892 CB ALA A 58 72.058 -8.104 11.624 1.00 0.00 C ATOM 0 H ALA A 58 73.273 -6.263 12.878 1.00 0.00 H new ATOM 0 HA ALA A 58 73.228 -8.864 13.277 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.642 -9.076 11.359 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.359 -7.575 12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.225 -7.522 10.718 1.00 0.00 H new ATOM 898 N LYS A 59 74.272 -8.771 10.162 1.00 0.00 N ATOM 899 CA LYS A 59 75.110 -9.418 9.157 1.00 0.00 C ATOM 900 C LYS A 59 75.425 -10.878 9.508 1.00 0.00 C ATOM 901 O LYS A 59 76.537 -11.208 9.915 1.00 0.00 O ATOM 902 CB LYS A 59 76.407 -8.613 8.942 1.00 0.00 C ATOM 903 CG LYS A 59 77.426 -8.882 10.063 1.00 0.00 C ATOM 904 CD LYS A 59 78.271 -7.625 10.306 1.00 0.00 C ATOM 905 CE LYS A 59 79.526 -7.992 11.104 1.00 0.00 C ATOM 906 NZ LYS A 59 80.476 -6.844 11.091 1.00 0.00 N ATOM 0 H LYS A 59 73.634 -8.072 9.783 1.00 0.00 H new ATOM 0 HA LYS A 59 74.544 -9.435 8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.845 -8.876 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 59 76.175 -7.549 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 59 76.907 -9.166 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.070 -9.718 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.553 -7.175 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 59 77.687 -6.882 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.257 -8.244 12.130 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.999 -8.874 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 81.328 -7.093 11.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 80.741 -6.624 10.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 80.022 -6.013 11.522 1.00 0.00 H new ATOM 920 N GLY A 60 74.442 -11.762 9.311 1.00 0.00 N ATOM 921 CA GLY A 60 74.649 -13.190 9.573 1.00 0.00 C ATOM 922 C GLY A 60 73.884 -13.692 10.797 1.00 0.00 C ATOM 923 O GLY A 60 73.510 -14.863 10.856 1.00 0.00 O ATOM 0 H GLY A 60 73.509 -11.520 8.976 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.339 -13.762 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.713 -13.377 9.716 1.00 0.00 H new ATOM 927 N ARG A 61 73.659 -12.823 11.773 1.00 0.00 N ATOM 928 CA ARG A 61 72.946 -13.229 12.979 1.00 0.00 C ATOM 929 C ARG A 61 71.532 -13.662 12.636 1.00 0.00 C ATOM 930 O ARG A 61 71.208 -13.896 11.473 1.00 0.00 O ATOM 931 CB ARG A 61 72.895 -12.069 13.974 1.00 0.00 C ATOM 932 CG ARG A 61 74.313 -11.559 14.227 1.00 0.00 C ATOM 933 CD ARG A 61 75.090 -12.563 15.085 1.00 0.00 C ATOM 934 NE ARG A 61 75.700 -13.583 14.241 1.00 0.00 N ATOM 935 CZ ARG A 61 76.680 -14.357 14.697 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.205 -15.268 13.925 1.00 0.00 N ATOM 937 NH2 ARG A 61 77.118 -14.203 15.917 1.00 0.00 N ATOM 0 H ARG A 61 73.954 -11.847 11.757 1.00 0.00 H new ATOM 0 HA ARG A 61 73.477 -14.068 13.428 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.272 -11.265 13.582 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.442 -12.397 14.909 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.827 -11.406 13.278 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.276 -10.592 14.729 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.861 -12.045 15.656 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.420 -13.031 15.806 1.00 0.00 H new ATOM 0 HE ARG A 61 75.369 -13.705 13.284 1.00 0.00 H new ATOM 0 HH11 ARG A 61 76.864 -15.387 12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.957 -15.862 14.275 1.00 0.00 H new ATOM 0 HH21 ARG A 61 76.708 -13.489 16.520 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.870 -14.796 16.268 1.00 0.00 H new ATOM 951 N GLN A 62 70.689 -13.754 13.654 1.00 0.00 N ATOM 952 CA GLN A 62 69.306 -14.135 13.454 1.00 0.00 C ATOM 953 C GLN A 62 68.436 -13.238 14.310 1.00 0.00 C ATOM 954 O GLN A 62 68.750 -12.978 15.471 1.00 0.00 O ATOM 955 CB GLN A 62 69.095 -15.598 13.835 1.00 0.00 C ATOM 956 CG GLN A 62 69.312 -15.758 15.336 1.00 0.00 C ATOM 957 CD GLN A 62 69.747 -17.184 15.661 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.441 -17.412 16.651 1.00 0.00 O ATOM 959 NE2 GLN A 62 69.380 -18.163 14.880 1.00 0.00 N ATOM 0 H GLN A 62 70.942 -13.569 14.625 1.00 0.00 H new ATOM 0 HA GLN A 62 69.039 -14.021 12.403 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.088 -15.916 13.564 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.789 -16.234 13.285 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.070 -15.053 15.678 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.392 -15.521 15.870 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.805 -17.973 14.060 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.668 -19.119 15.090 1.00 0.00 H new ATOM 968 N ILE A 63 67.363 -12.743 13.728 1.00 0.00 N ATOM 969 CA ILE A 63 66.475 -11.852 14.430 1.00 0.00 C ATOM 970 C ILE A 63 65.229 -12.573 14.866 1.00 0.00 C ATOM 971 O ILE A 63 64.768 -13.500 14.209 1.00 0.00 O ATOM 972 CB ILE A 63 66.099 -10.708 13.506 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.464 -9.579 14.312 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.107 -11.204 12.455 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.559 -8.644 14.820 1.00 0.00 C ATOM 0 H ILE A 63 67.088 -12.946 12.767 1.00 0.00 H new ATOM 0 HA ILE A 63 66.981 -11.473 15.318 1.00 0.00 H new ATOM 0 HB ILE A 63 66.997 -10.336 13.013 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.757 -9.027 13.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.901 -9.988 15.151 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.838 -10.382 11.792 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.563 -12.005 11.873 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.211 -11.580 12.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.109 -7.836 15.396 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.248 -9.202 15.454 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.103 -8.226 13.973 1.00 0.00 H new ATOM 987 N GLU A 64 64.683 -12.107 15.965 1.00 0.00 N ATOM 988 CA GLU A 64 63.463 -12.663 16.507 1.00 0.00 C ATOM 989 C GLU A 64 62.387 -11.605 16.393 1.00 0.00 C ATOM 990 O GLU A 64 62.415 -10.598 17.099 1.00 0.00 O ATOM 991 CB GLU A 64 63.680 -13.079 17.970 1.00 0.00 C ATOM 992 CG GLU A 64 63.158 -14.499 18.200 1.00 0.00 C ATOM 993 CD GLU A 64 61.641 -14.530 18.056 1.00 0.00 C ATOM 994 OE1 GLU A 64 60.989 -15.032 18.957 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.152 -14.051 17.046 1.00 0.00 O ATOM 0 H GLU A 64 65.069 -11.335 16.508 1.00 0.00 H new ATOM 0 HA GLU A 64 63.163 -13.554 15.956 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.741 -13.030 18.216 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.166 -12.383 18.633 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.613 -15.182 17.483 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.444 -14.843 19.194 1.00 0.00 H new ATOM 1002 N VAL A 65 61.460 -11.806 15.471 1.00 0.00 N ATOM 1003 CA VAL A 65 60.421 -10.835 15.263 1.00 0.00 C ATOM 1004 C VAL A 65 59.213 -11.162 16.107 1.00 0.00 C ATOM 1005 O VAL A 65 58.811 -12.316 16.190 1.00 0.00 O ATOM 1006 CB VAL A 65 60.031 -10.832 13.786 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.623 -12.235 13.335 1.00 0.00 C ATOM 1008 CG2 VAL A 65 58.867 -9.861 13.582 1.00 0.00 C ATOM 0 H VAL A 65 61.413 -12.625 14.866 1.00 0.00 H new ATOM 0 HA VAL A 65 60.789 -9.851 15.554 1.00 0.00 H new ATOM 0 HB VAL A 65 60.887 -10.517 13.189 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.349 -12.213 12.280 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.458 -12.921 13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.771 -12.573 13.924 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.581 -9.852 12.530 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.017 -10.179 14.186 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.172 -8.859 13.884 1.00 0.00 H new ATOM 1018 N GLU A 66 58.620 -10.149 16.723 1.00 0.00 N ATOM 1019 CA GLU A 66 57.431 -10.387 17.521 1.00 0.00 C ATOM 1020 C GLU A 66 56.450 -9.231 17.387 1.00 0.00 C ATOM 1021 O GLU A 66 56.749 -8.115 17.801 1.00 0.00 O ATOM 1022 CB GLU A 66 57.776 -10.576 18.995 1.00 0.00 C ATOM 1023 CG GLU A 66 56.477 -10.570 19.807 1.00 0.00 C ATOM 1024 CD GLU A 66 56.715 -11.185 21.182 1.00 0.00 C ATOM 1025 OE1 GLU A 66 56.038 -12.147 21.504 1.00 0.00 O ATOM 1026 OE2 GLU A 66 57.570 -10.684 21.893 1.00 0.00 O ATOM 0 H GLU A 66 58.934 -9.179 16.687 1.00 0.00 H new ATOM 0 HA GLU A 66 56.973 -11.302 17.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.309 -11.516 19.141 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.437 -9.779 19.334 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.112 -9.549 19.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 55.706 -11.130 19.278 1.00 0.00 H new ATOM 1033 N ALA A 67 55.268 -9.498 16.832 1.00 0.00 N ATOM 1034 CA ALA A 67 54.265 -8.446 16.686 1.00 0.00 C ATOM 1035 C ALA A 67 53.020 -8.789 17.489 1.00 0.00 C ATOM 1036 O ALA A 67 52.739 -9.960 17.739 1.00 0.00 O ATOM 1037 CB ALA A 67 53.932 -8.232 15.209 1.00 0.00 C ATOM 0 H ALA A 67 54.986 -10.414 16.483 1.00 0.00 H new ATOM 0 HA ALA A 67 54.670 -7.513 17.077 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.183 -7.445 15.115 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.834 -7.940 14.671 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.541 -9.157 14.786 1.00 0.00 H new ATOM 1043 N THR A 68 52.296 -7.761 17.930 1.00 0.00 N ATOM 1044 CA THR A 68 51.113 -7.984 18.742 1.00 0.00 C ATOM 1045 C THR A 68 50.066 -6.888 18.536 1.00 0.00 C ATOM 1046 O THR A 68 50.200 -5.777 19.049 1.00 0.00 O ATOM 1047 CB THR A 68 51.516 -8.008 20.213 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.507 -9.004 20.417 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.292 -8.312 21.066 1.00 0.00 C ATOM 0 H THR A 68 52.508 -6.782 17.739 1.00 0.00 H new ATOM 0 HA THR A 68 50.674 -8.935 18.441 1.00 0.00 H new ATOM 0 HB THR A 68 51.922 -7.037 20.498 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.767 -9.018 21.362 1.00 0.00 H new ATOM 0 HG21 THR A 68 50.577 -8.330 22.118 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.538 -7.541 20.907 1.00 0.00 H new ATOM 0 HG23 THR A 68 49.884 -9.283 20.784 1.00 0.00 H new ATOM 1057 N GLY A 69 49.020 -7.224 17.798 1.00 0.00 N ATOM 1058 CA GLY A 69 47.929 -6.298 17.528 1.00 0.00 C ATOM 1059 C GLY A 69 47.104 -6.787 16.342 1.00 0.00 C ATOM 1060 O GLY A 69 47.534 -7.654 15.589 1.00 0.00 O ATOM 0 H GLY A 69 48.902 -8.142 17.370 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.294 -6.206 18.409 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.328 -5.306 17.318 1.00 0.00 H new ATOM 1064 N PRO A 70 45.934 -6.254 16.168 1.00 0.00 N ATOM 1065 CA PRO A 70 45.022 -6.642 15.067 1.00 0.00 C ATOM 1066 C PRO A 70 45.748 -7.127 13.819 1.00 0.00 C ATOM 1067 O PRO A 70 45.420 -8.176 13.265 1.00 0.00 O ATOM 1068 CB PRO A 70 44.287 -5.340 14.799 1.00 0.00 C ATOM 1069 CG PRO A 70 44.152 -4.702 16.147 1.00 0.00 C ATOM 1070 CD PRO A 70 45.335 -5.199 16.996 1.00 0.00 C ATOM 0 HA PRO A 70 44.382 -7.484 15.333 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.845 -4.703 14.112 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.312 -5.520 14.346 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.166 -3.615 16.063 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.203 -4.974 16.610 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.046 -4.398 17.201 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.003 -5.585 17.960 1.00 0.00 H new ATOM 1078 N GLN A 71 46.710 -6.338 13.364 1.00 0.00 N ATOM 1079 CA GLN A 71 47.456 -6.679 12.147 1.00 0.00 C ATOM 1080 C GLN A 71 48.941 -6.949 12.414 1.00 0.00 C ATOM 1081 O GLN A 71 49.803 -6.525 11.645 1.00 0.00 O ATOM 1082 CB GLN A 71 47.315 -5.537 11.140 1.00 0.00 C ATOM 1083 CG GLN A 71 45.903 -5.545 10.526 1.00 0.00 C ATOM 1084 CD GLN A 71 45.276 -4.157 10.628 1.00 0.00 C ATOM 1085 OE1 GLN A 71 45.602 -3.238 9.761 1.00 0.00 O flip ATOM 1086 NE2 GLN A 71 44.468 -3.905 11.521 1.00 0.00 N flip ATOM 0 H GLN A 71 46.995 -5.465 13.808 1.00 0.00 H new ATOM 0 HA GLN A 71 47.033 -7.602 11.751 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.501 -4.582 11.632 1.00 0.00 H new ATOM 0 HB3 GLN A 71 48.063 -5.641 10.354 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.954 -5.853 9.482 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.278 -6.273 11.043 1.00 0.00 H new ATOM 0 HE21 GLN A 71 44.215 -4.625 12.198 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.051 -2.976 11.585 1.00 0.00 H new ATOM 1095 N GLU A 72 49.231 -7.669 13.487 1.00 0.00 N ATOM 1096 CA GLU A 72 50.613 -8.006 13.829 1.00 0.00 C ATOM 1097 C GLU A 72 51.202 -8.974 12.826 1.00 0.00 C ATOM 1098 O GLU A 72 52.416 -9.026 12.651 1.00 0.00 O ATOM 1099 CB GLU A 72 50.673 -8.631 15.232 1.00 0.00 C ATOM 1100 CG GLU A 72 49.446 -9.529 15.453 1.00 0.00 C ATOM 1101 CD GLU A 72 49.827 -10.810 16.187 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.938 -10.879 16.675 1.00 0.00 O ATOM 1103 OE2 GLU A 72 48.998 -11.703 16.248 1.00 0.00 O ATOM 0 H GLU A 72 48.534 -8.032 14.137 1.00 0.00 H new ATOM 0 HA GLU A 72 51.196 -7.085 13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.587 -9.215 15.342 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.703 -7.847 15.989 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.694 -8.987 16.027 1.00 0.00 H new ATOM 0 HG3 GLU A 72 48.996 -9.777 14.492 1.00 0.00 H new ATOM 1110 N GLU A 73 50.352 -9.733 12.169 1.00 0.00 N ATOM 1111 CA GLU A 73 50.833 -10.687 11.190 1.00 0.00 C ATOM 1112 C GLU A 73 51.278 -9.960 9.929 1.00 0.00 C ATOM 1113 O GLU A 73 52.411 -10.116 9.488 1.00 0.00 O ATOM 1114 CB GLU A 73 49.735 -11.700 10.857 1.00 0.00 C ATOM 1115 CG GLU A 73 49.364 -12.491 12.125 1.00 0.00 C ATOM 1116 CD GLU A 73 49.371 -13.995 11.850 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.278 -14.370 10.692 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.463 -14.750 12.804 1.00 0.00 O ATOM 0 H GLU A 73 49.340 -9.711 12.291 1.00 0.00 H new ATOM 0 HA GLU A 73 51.686 -11.221 11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.857 -11.185 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.078 -12.381 10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.070 -12.260 12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.378 -12.185 12.474 1.00 0.00 H new ATOM 1125 N GLU A 74 50.388 -9.150 9.368 1.00 0.00 N ATOM 1126 CA GLU A 74 50.708 -8.394 8.163 1.00 0.00 C ATOM 1127 C GLU A 74 51.979 -7.582 8.373 1.00 0.00 C ATOM 1128 O GLU A 74 52.808 -7.440 7.475 1.00 0.00 O ATOM 1129 CB GLU A 74 49.554 -7.444 7.833 1.00 0.00 C ATOM 1130 CG GLU A 74 48.226 -8.078 8.249 1.00 0.00 C ATOM 1131 CD GLU A 74 47.065 -7.400 7.529 1.00 0.00 C ATOM 1132 OE1 GLU A 74 45.935 -7.610 7.940 1.00 0.00 O ATOM 1133 OE2 GLU A 74 47.320 -6.681 6.576 1.00 0.00 O ATOM 0 H GLU A 74 49.445 -9.000 9.725 1.00 0.00 H new ATOM 0 HA GLU A 74 50.860 -9.092 7.340 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.693 -6.495 8.351 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.545 -7.226 6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 74 48.235 -9.143 8.016 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.095 -7.989 9.327 1.00 0.00 H new ATOM 1140 N ALA A 75 52.099 -7.043 9.572 1.00 0.00 N ATOM 1141 CA ALA A 75 53.243 -6.218 9.942 1.00 0.00 C ATOM 1142 C ALA A 75 54.509 -7.045 10.027 1.00 0.00 C ATOM 1143 O ALA A 75 55.460 -6.784 9.305 1.00 0.00 O ATOM 1144 CB ALA A 75 52.957 -5.520 11.286 1.00 0.00 C ATOM 0 H ALA A 75 51.412 -7.162 10.316 1.00 0.00 H new ATOM 0 HA ALA A 75 53.397 -5.464 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.811 -4.903 11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 75 52.072 -4.892 11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.786 -6.271 12.057 1.00 0.00 H new ATOM 1150 N LEU A 76 54.502 -8.047 10.883 1.00 0.00 N ATOM 1151 CA LEU A 76 55.653 -8.922 11.039 1.00 0.00 C ATOM 1152 C LEU A 76 55.880 -9.701 9.747 1.00 0.00 C ATOM 1153 O LEU A 76 57.011 -10.002 9.377 1.00 0.00 O ATOM 1154 CB LEU A 76 55.368 -9.863 12.217 1.00 0.00 C ATOM 1155 CG LEU A 76 55.961 -11.264 11.993 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.006 -12.012 13.336 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.089 -12.059 11.000 1.00 0.00 C ATOM 0 H LEU A 76 53.711 -8.278 11.484 1.00 0.00 H new ATOM 0 HA LEU A 76 56.559 -8.351 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.782 -9.436 13.130 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.291 -9.945 12.363 1.00 0.00 H new ATOM 0 HG LEU A 76 56.966 -11.165 11.584 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.426 -13.007 13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.628 -11.459 14.040 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.996 -12.101 13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.519 -13.049 10.850 1.00 0.00 H new ATOM 0 HD22 LEU A 76 54.080 -12.159 11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.050 -11.532 10.047 1.00 0.00 H new ATOM 1169 N ALA A 77 54.785 -10.016 9.072 1.00 0.00 N ATOM 1170 CA ALA A 77 54.839 -10.761 7.819 1.00 0.00 C ATOM 1171 C ALA A 77 55.361 -9.890 6.682 1.00 0.00 C ATOM 1172 O ALA A 77 55.885 -10.396 5.688 1.00 0.00 O ATOM 1173 CB ALA A 77 53.431 -11.239 7.468 1.00 0.00 C ATOM 0 H ALA A 77 53.842 -9.767 9.371 1.00 0.00 H new ATOM 0 HA ALA A 77 55.516 -11.606 7.947 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.459 -11.798 6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 77 53.056 -11.883 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.772 -10.378 7.357 1.00 0.00 H new ATOM 1179 N ALA A 78 55.214 -8.581 6.832 1.00 0.00 N ATOM 1180 CA ALA A 78 55.672 -7.652 5.806 1.00 0.00 C ATOM 1181 C ALA A 78 57.162 -7.402 5.970 1.00 0.00 C ATOM 1182 O ALA A 78 57.892 -7.222 4.992 1.00 0.00 O ATOM 1183 CB ALA A 78 54.898 -6.334 5.903 1.00 0.00 C ATOM 0 H ALA A 78 54.785 -8.140 7.646 1.00 0.00 H new ATOM 0 HA ALA A 78 55.491 -8.088 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 78 55.249 -5.648 5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.834 -6.525 5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 78 55.059 -5.889 6.885 1.00 0.00 H new ATOM 1189 N VAL A 79 57.614 -7.433 7.216 1.00 0.00 N ATOM 1190 CA VAL A 79 59.022 -7.245 7.501 1.00 0.00 C ATOM 1191 C VAL A 79 59.754 -8.496 7.069 1.00 0.00 C ATOM 1192 O VAL A 79 60.783 -8.439 6.411 1.00 0.00 O ATOM 1193 CB VAL A 79 59.239 -7.019 9.007 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.913 -6.701 9.677 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.814 -8.284 9.639 1.00 0.00 C ATOM 0 H VAL A 79 57.028 -7.586 8.037 1.00 0.00 H new ATOM 0 HA VAL A 79 59.396 -6.372 6.966 1.00 0.00 H new ATOM 0 HB VAL A 79 59.931 -6.187 9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.073 -6.542 10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.489 -5.799 9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.224 -7.533 9.534 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.967 -8.121 10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 79 59.119 -9.111 9.494 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.767 -8.525 9.169 1.00 0.00 H new ATOM 1205 N ILE A 80 59.191 -9.628 7.467 1.00 0.00 N ATOM 1206 CA ILE A 80 59.753 -10.916 7.149 1.00 0.00 C ATOM 1207 C ILE A 80 60.064 -10.980 5.689 1.00 0.00 C ATOM 1208 O ILE A 80 61.217 -11.113 5.300 1.00 0.00 O ATOM 1209 CB ILE A 80 58.756 -11.979 7.570 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.842 -12.075 9.099 1.00 0.00 C ATOM 1211 CG2 ILE A 80 59.075 -13.326 6.900 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.469 -13.396 9.519 1.00 0.00 C ATOM 0 H ILE A 80 58.334 -9.671 8.018 1.00 0.00 H new ATOM 0 HA ILE A 80 60.688 -11.084 7.683 1.00 0.00 H new ATOM 0 HB ILE A 80 57.745 -11.718 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.433 -11.246 9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.845 -11.986 9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.346 -14.072 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 80 59.030 -13.213 5.817 1.00 0.00 H new ATOM 0 HG23 ILE A 80 60.075 -13.649 7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.521 -13.445 10.607 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.862 -14.221 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.474 -13.470 9.104 1.00 0.00 H new ATOM 1224 N ALA A 81 59.051 -10.824 4.872 1.00 0.00 N ATOM 1225 CA ALA A 81 59.297 -10.815 3.454 1.00 0.00 C ATOM 1226 C ALA A 81 60.442 -9.864 3.199 1.00 0.00 C ATOM 1227 O ALA A 81 61.152 -9.972 2.200 1.00 0.00 O ATOM 1228 CB ALA A 81 58.071 -10.343 2.697 1.00 0.00 C ATOM 0 H ALA A 81 58.078 -10.705 5.154 1.00 0.00 H new ATOM 0 HA ALA A 81 59.535 -11.822 3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 81 58.281 -10.345 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 81 57.236 -11.012 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.814 -9.333 3.015 1.00 0.00 H new ATOM 1234 N LEU A 82 60.635 -8.939 4.144 1.00 0.00 N ATOM 1235 CA LEU A 82 61.717 -7.995 4.037 1.00 0.00 C ATOM 1236 C LEU A 82 62.929 -8.552 4.764 1.00 0.00 C ATOM 1237 O LEU A 82 64.052 -8.481 4.267 1.00 0.00 O ATOM 1238 CB LEU A 82 61.283 -6.651 4.617 1.00 0.00 C ATOM 1239 CG LEU A 82 61.620 -5.538 3.622 1.00 0.00 C ATOM 1240 CD1 LEU A 82 63.133 -5.534 3.356 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.855 -5.777 2.307 1.00 0.00 C ATOM 0 H LEU A 82 60.056 -8.835 4.977 1.00 0.00 H new ATOM 0 HA LEU A 82 61.983 -7.836 2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 82 60.213 -6.659 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.788 -6.471 5.566 1.00 0.00 H new ATOM 0 HG LEU A 82 61.326 -4.573 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.376 -4.742 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.666 -5.361 4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.432 -6.496 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.094 -4.985 1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 82 61.145 -6.740 1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.783 -5.776 2.504 1.00 0.00 H new ATOM 1253 N PHE A 83 62.686 -9.146 5.930 1.00 0.00 N ATOM 1254 CA PHE A 83 63.760 -9.751 6.681 1.00 0.00 C ATOM 1255 C PHE A 83 64.287 -10.913 5.867 1.00 0.00 C ATOM 1256 O PHE A 83 65.484 -11.195 5.836 1.00 0.00 O ATOM 1257 CB PHE A 83 63.277 -10.238 8.040 1.00 0.00 C ATOM 1258 CG PHE A 83 63.143 -9.092 9.021 1.00 0.00 C ATOM 1259 CD1 PHE A 83 63.098 -9.377 10.390 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.056 -7.755 8.583 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.971 -8.348 11.317 1.00 0.00 C ATOM 1262 CE2 PHE A 83 62.928 -6.728 9.521 1.00 0.00 C ATOM 1263 CZ PHE A 83 62.887 -7.031 10.884 1.00 0.00 C ATOM 0 H PHE A 83 61.765 -9.216 6.363 1.00 0.00 H new ATOM 0 HA PHE A 83 64.544 -9.016 6.863 1.00 0.00 H new ATOM 0 HB2 PHE A 83 62.315 -10.738 7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.976 -10.976 8.433 1.00 0.00 H new ATOM 0 HD1 PHE A 83 63.162 -10.401 10.728 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.088 -7.526 7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.938 -8.573 12.373 1.00 0.00 H new ATOM 0 HE2 PHE A 83 62.861 -5.701 9.193 1.00 0.00 H new ATOM 0 HZ PHE A 83 62.789 -6.235 11.607 1.00 0.00 H new ATOM 1273 N ASN A 84 63.357 -11.550 5.170 1.00 0.00 N ATOM 1274 CA ASN A 84 63.669 -12.655 4.296 1.00 0.00 C ATOM 1275 C ASN A 84 64.140 -12.080 2.984 1.00 0.00 C ATOM 1276 O ASN A 84 64.721 -12.759 2.138 1.00 0.00 O ATOM 1277 CB ASN A 84 62.405 -13.488 4.080 1.00 0.00 C ATOM 1278 CG ASN A 84 62.700 -14.976 4.228 1.00 0.00 C ATOM 1279 OD1 ASN A 84 63.703 -15.469 3.711 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.876 -15.724 4.911 1.00 0.00 N ATOM 0 H ASN A 84 62.366 -11.310 5.199 1.00 0.00 H new ATOM 0 HA ASN A 84 64.442 -13.292 4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 84 61.642 -13.191 4.800 1.00 0.00 H new ATOM 0 HB3 ASN A 84 62.000 -13.291 3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 84 62.062 -16.721 5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 84 61.047 -15.311 5.337 1.00 0.00 H new ATOM 1287 N SER A 85 63.863 -10.803 2.855 1.00 0.00 N ATOM 1288 CA SER A 85 64.228 -10.046 1.662 1.00 0.00 C ATOM 1289 C SER A 85 63.580 -10.653 0.422 1.00 0.00 C ATOM 1290 O SER A 85 62.904 -9.924 -0.286 1.00 0.00 O ATOM 1291 CB SER A 85 65.747 -10.036 1.493 1.00 0.00 C ATOM 1292 OG SER A 85 66.089 -9.235 0.370 1.00 0.00 O ATOM 1293 OXT SER A 85 63.768 -11.837 0.197 1.00 0.00 O ATOM 0 H SER A 85 63.380 -10.254 3.566 1.00 0.00 H new ATOM 0 HA SER A 85 63.870 -9.023 1.781 1.00 0.00 H new ATOM 0 HB2 SER A 85 66.222 -9.644 2.392 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.116 -11.052 1.355 1.00 0.00 H new ATOM 0 HG SER A 85 67.063 -9.225 0.260 1.00 0.00 H new