USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 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 Single : A 2 THR OG1 : rot 2:sc= 0.872 USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= -0.728 (180deg=-1.24) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.4 F(o=-2.9!,f=-1.4) USER MOD Single : A 6 THR OG1 : rot -57:sc= 0.0983 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 38 ASN : amide:sc= -7.9! C(o=-7.9!,f=-18!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.93! C(o=-1.9!,f=-3.6!) USER MOD Single : A 48 SER OG : rot 104:sc= 0.352 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 1:sc= 0.795 USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0385 (180deg=-0.567) USER MOD Single : A 62 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.56) USER MOD Single : A 68 THR OG1 : rot 180:sc= -2.91! USER MOD Single : A 71 GLN : amide:sc= -4.01 K(o=-4,f=-5.3!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 85 SER OG : rot -64:sc= 0.783 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.624 -13.382 19.365 1.00 0.00 N ATOM 21 CA THR A 2 51.015 -12.955 19.243 1.00 0.00 C ATOM 22 C THR A 2 51.713 -13.702 18.114 1.00 0.00 C ATOM 23 O THR A 2 51.393 -14.859 17.840 1.00 0.00 O ATOM 24 CB THR A 2 51.765 -13.239 20.553 1.00 0.00 C ATOM 25 OG1 THR A 2 50.836 -13.638 21.550 1.00 0.00 O ATOM 26 CG2 THR A 2 52.502 -11.983 21.016 1.00 0.00 C ATOM 0 HA THR A 2 51.022 -11.887 19.028 1.00 0.00 H new ATOM 0 HB THR A 2 52.490 -14.036 20.386 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.936 -13.672 21.164 1.00 0.00 H new ATOM 0 HG21 THR A 2 53.031 -12.193 21.945 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.218 -11.679 20.252 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.784 -11.180 21.181 1.00 0.00 H new ATOM 34 N VAL A 3 52.700 -13.062 17.488 1.00 0.00 N ATOM 35 CA VAL A 3 53.451 -13.702 16.447 1.00 0.00 C ATOM 36 C VAL A 3 54.893 -13.351 16.611 1.00 0.00 C ATOM 37 O VAL A 3 55.247 -12.198 16.846 1.00 0.00 O ATOM 38 CB VAL A 3 53.008 -13.259 15.077 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.885 -14.158 14.605 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.540 -11.807 15.129 1.00 0.00 C ATOM 0 H VAL A 3 52.986 -12.105 17.694 1.00 0.00 H new ATOM 0 HA VAL A 3 53.288 -14.777 16.528 1.00 0.00 H new ATOM 0 HB VAL A 3 53.842 -13.329 14.379 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.559 -13.843 13.614 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.238 -15.188 14.561 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.048 -14.091 15.300 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.221 -11.492 14.136 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.705 -11.719 15.824 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.360 -11.172 15.465 1.00 0.00 H new ATOM 50 N LYS A 4 55.710 -14.350 16.484 1.00 0.00 N ATOM 51 CA LYS A 4 57.116 -14.171 16.614 1.00 0.00 C ATOM 52 C LYS A 4 57.845 -15.205 15.805 1.00 0.00 C ATOM 53 O LYS A 4 57.474 -16.378 15.784 1.00 0.00 O ATOM 54 CB LYS A 4 57.519 -14.261 18.067 1.00 0.00 C ATOM 55 CG LYS A 4 56.989 -15.568 18.686 1.00 0.00 C ATOM 56 CD LYS A 4 55.808 -15.287 19.638 1.00 0.00 C ATOM 57 CE LYS A 4 54.476 -15.233 18.865 1.00 0.00 C ATOM 58 NZ LYS A 4 53.457 -16.042 19.592 1.00 0.00 N ATOM 0 H LYS A 4 55.419 -15.308 16.288 1.00 0.00 H new ATOM 0 HA LYS A 4 57.382 -13.183 16.239 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.605 -14.223 18.154 1.00 0.00 H new ATOM 0 HB3 LYS A 4 57.125 -13.405 18.615 1.00 0.00 H new ATOM 0 HG2 LYS A 4 56.670 -16.247 17.895 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.790 -16.068 19.231 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.759 -16.064 20.401 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.971 -14.342 20.156 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.138 -14.201 18.769 1.00 0.00 H new ATOM 0 HE3 LYS A 4 54.612 -15.619 17.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 52.525 -15.902 19.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.714 -17.049 19.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 53.420 -15.741 20.587 1.00 0.00 H new ATOM 72 N GLN A 5 58.856 -14.753 15.100 1.00 0.00 N ATOM 73 CA GLN A 5 59.599 -15.640 14.239 1.00 0.00 C ATOM 74 C GLN A 5 61.058 -15.241 14.135 1.00 0.00 C ATOM 75 O GLN A 5 61.426 -14.084 14.307 1.00 0.00 O ATOM 76 CB GLN A 5 58.974 -15.602 12.859 1.00 0.00 C ATOM 77 CG GLN A 5 57.449 -15.542 12.988 1.00 0.00 C ATOM 78 CD GLN A 5 56.807 -15.600 11.605 1.00 0.00 C ATOM 79 OE1 GLN A 5 57.555 -15.827 10.559 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 55.594 -15.436 11.474 1.00 0.00 N flip ATOM 0 H GLN A 5 59.180 -13.786 15.106 1.00 0.00 H new ATOM 0 HA GLN A 5 59.560 -16.643 14.664 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.337 -14.734 12.308 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.267 -16.485 12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 5 57.094 -16.373 13.598 1.00 0.00 H new ATOM 0 HG3 GLN A 5 57.154 -14.624 13.497 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.012 -15.259 12.293 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.171 -15.477 10.547 1.00 0.00 H new ATOM 89 N THR A 6 61.876 -16.223 13.841 1.00 0.00 N ATOM 90 CA THR A 6 63.291 -16.021 13.686 1.00 0.00 C ATOM 91 C THR A 6 63.639 -15.953 12.206 1.00 0.00 C ATOM 92 O THR A 6 63.623 -16.971 11.513 1.00 0.00 O ATOM 93 CB THR A 6 64.031 -17.185 14.348 1.00 0.00 C ATOM 94 OG1 THR A 6 63.174 -17.798 15.301 1.00 0.00 O ATOM 95 CG2 THR A 6 65.286 -16.679 15.052 1.00 0.00 C ATOM 0 H THR A 6 61.575 -17.188 13.703 1.00 0.00 H new ATOM 0 HA THR A 6 63.588 -15.085 14.158 1.00 0.00 H new ATOM 0 HB THR A 6 64.319 -17.907 13.584 1.00 0.00 H new ATOM 0 HG1 THR A 6 62.881 -17.130 15.955 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.804 -17.517 15.519 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.945 -16.205 14.325 1.00 0.00 H new ATOM 0 HG23 THR A 6 65.007 -15.953 15.816 1.00 0.00 H new ATOM 103 N VAL A 7 63.946 -14.754 11.716 1.00 0.00 N ATOM 104 CA VAL A 7 64.284 -14.602 10.301 1.00 0.00 C ATOM 105 C VAL A 7 65.798 -14.570 10.107 1.00 0.00 C ATOM 106 O VAL A 7 66.481 -13.674 10.602 1.00 0.00 O ATOM 107 CB VAL A 7 63.663 -13.309 9.732 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.230 -13.522 8.270 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.442 -12.907 10.569 1.00 0.00 C ATOM 0 H VAL A 7 63.968 -13.892 12.261 1.00 0.00 H new ATOM 0 HA VAL A 7 63.877 -15.460 9.765 1.00 0.00 H new ATOM 0 HB VAL A 7 64.411 -12.517 9.771 1.00 0.00 H new ATOM 0 HG11 VAL A 7 62.794 -12.602 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.098 -13.794 7.669 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.491 -14.322 8.222 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.007 -11.994 10.163 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.701 -13.706 10.539 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.749 -12.735 11.601 1.00 0.00 H new ATOM 119 N GLU A 8 66.312 -15.548 9.366 1.00 0.00 N ATOM 120 CA GLU A 8 67.743 -15.615 9.093 1.00 0.00 C ATOM 121 C GLU A 8 68.104 -14.569 8.049 1.00 0.00 C ATOM 122 O GLU A 8 67.507 -14.533 6.973 1.00 0.00 O ATOM 123 CB GLU A 8 68.115 -17.010 8.588 1.00 0.00 C ATOM 124 CG GLU A 8 67.872 -18.034 9.699 1.00 0.00 C ATOM 125 CD GLU A 8 68.379 -19.405 9.265 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.110 -20.365 9.968 1.00 0.00 O ATOM 127 OE2 GLU A 8 69.029 -19.475 8.234 1.00 0.00 O ATOM 0 H GLU A 8 65.763 -16.299 8.947 1.00 0.00 H new ATOM 0 HA GLU A 8 68.297 -15.417 10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.520 -17.262 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.161 -17.031 8.281 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.381 -17.721 10.611 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.808 -18.087 9.930 1.00 0.00 H new ATOM 134 N ILE A 9 69.058 -13.697 8.367 1.00 0.00 N ATOM 135 CA ILE A 9 69.433 -12.649 7.423 1.00 0.00 C ATOM 136 C ILE A 9 70.566 -13.085 6.516 1.00 0.00 C ATOM 137 O ILE A 9 71.366 -13.955 6.857 1.00 0.00 O ATOM 138 CB ILE A 9 69.904 -11.372 8.150 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.396 -11.336 9.608 1.00 0.00 C ATOM 140 CG2 ILE A 9 69.427 -10.139 7.376 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.439 -10.164 9.838 1.00 0.00 C ATOM 0 H ILE A 9 69.573 -13.693 9.247 1.00 0.00 H new ATOM 0 HA ILE A 9 68.536 -12.448 6.838 1.00 0.00 H new ATOM 0 HB ILE A 9 70.993 -11.373 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.889 -12.272 9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.244 -11.254 10.288 1.00 0.00 H new ATOM 0 HG21 ILE A 9 69.759 -9.236 7.889 1.00 0.00 H new ATOM 0 HG22 ILE A 9 69.843 -10.158 6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 9 68.339 -10.144 7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 9 68.101 -10.169 10.874 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.955 -9.227 9.629 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.579 -10.261 9.175 1.00 0.00 H new ATOM 311 N ALA A 20 62.616 -1.367 7.716 1.00 0.00 N ATOM 312 CA ALA A 20 62.600 -1.357 9.168 1.00 0.00 C ATOM 313 C ALA A 20 61.733 -0.204 9.657 1.00 0.00 C ATOM 314 O ALA A 20 61.116 -0.277 10.718 1.00 0.00 O ATOM 315 CB ALA A 20 64.038 -1.193 9.677 1.00 0.00 C ATOM 0 HA ALA A 20 62.186 -2.292 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 20 64.039 -1.184 10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.647 -2.023 9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.451 -0.255 9.306 1.00 0.00 H new ATOM 321 N MET A 21 61.695 0.857 8.861 1.00 0.00 N ATOM 322 CA MET A 21 60.901 2.030 9.197 1.00 0.00 C ATOM 323 C MET A 21 59.424 1.766 8.925 1.00 0.00 C ATOM 324 O MET A 21 58.565 2.185 9.694 1.00 0.00 O ATOM 325 CB MET A 21 61.369 3.239 8.384 1.00 0.00 C ATOM 326 CG MET A 21 62.747 3.684 8.877 1.00 0.00 C ATOM 327 SD MET A 21 63.145 5.305 8.177 1.00 0.00 S ATOM 328 CE MET A 21 62.521 6.306 9.549 1.00 0.00 C ATOM 0 H MET A 21 62.204 0.929 7.980 1.00 0.00 H new ATOM 0 HA MET A 21 61.033 2.243 10.258 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.415 2.983 7.326 1.00 0.00 H new ATOM 0 HB3 MET A 21 60.654 4.056 8.483 1.00 0.00 H new ATOM 0 HG2 MET A 21 62.757 3.734 9.966 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.502 2.955 8.585 1.00 0.00 H new ATOM 0 HE1 MET A 21 62.668 7.363 9.325 1.00 0.00 H new ATOM 0 HE2 MET A 21 61.458 6.110 9.689 1.00 0.00 H new ATOM 0 HE3 MET A 21 63.060 6.050 10.461 1.00 0.00 H new ATOM 338 N LYS A 22 59.122 1.060 7.839 1.00 0.00 N ATOM 339 CA LYS A 22 57.725 0.760 7.531 1.00 0.00 C ATOM 340 C LYS A 22 57.046 0.272 8.788 1.00 0.00 C ATOM 341 O LYS A 22 56.059 0.841 9.231 1.00 0.00 O ATOM 342 CB LYS A 22 57.614 -0.313 6.450 1.00 0.00 C ATOM 343 CG LYS A 22 58.562 0.029 5.312 1.00 0.00 C ATOM 344 CD LYS A 22 58.074 1.292 4.573 1.00 0.00 C ATOM 345 CE LYS A 22 58.972 2.490 4.908 1.00 0.00 C ATOM 346 NZ LYS A 22 60.169 2.477 4.021 1.00 0.00 N ATOM 0 H LYS A 22 59.803 0.693 7.174 1.00 0.00 H new ATOM 0 HA LYS A 22 57.246 1.666 7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.860 -1.291 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.590 -0.372 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.566 0.193 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.623 -0.808 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.079 1.116 3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.044 1.511 4.856 1.00 0.00 H new ATOM 0 HE2 LYS A 22 58.419 3.420 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 22 59.280 2.446 5.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 60.778 3.289 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 60.700 1.595 4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 59.866 2.538 3.028 1.00 0.00 H new ATOM 360 N LEU A 23 57.621 -0.759 9.386 1.00 0.00 N ATOM 361 CA LEU A 23 57.096 -1.307 10.629 1.00 0.00 C ATOM 362 C LEU A 23 56.492 -0.188 11.460 1.00 0.00 C ATOM 363 O LEU A 23 55.417 -0.321 12.042 1.00 0.00 O ATOM 364 CB LEU A 23 58.271 -1.884 11.405 1.00 0.00 C ATOM 365 CG LEU A 23 58.388 -3.391 11.202 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.055 -3.691 9.847 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.244 -3.949 12.337 1.00 0.00 C ATOM 0 H LEU A 23 58.451 -1.234 9.032 1.00 0.00 H new ATOM 0 HA LEU A 23 56.339 -2.063 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.193 -1.400 11.084 1.00 0.00 H new ATOM 0 HB3 LEU A 23 58.149 -1.667 12.466 1.00 0.00 H new ATOM 0 HG LEU A 23 57.400 -3.852 11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.134 -4.770 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.453 -3.267 9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.051 -3.249 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.346 -5.028 12.219 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.230 -3.486 12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.767 -3.732 13.293 1.00 0.00 H new ATOM 379 N PHE A 24 57.220 0.910 11.494 1.00 0.00 N ATOM 380 CA PHE A 24 56.818 2.085 12.234 1.00 0.00 C ATOM 381 C PHE A 24 55.673 2.804 11.506 1.00 0.00 C ATOM 382 O PHE A 24 54.565 2.954 12.035 1.00 0.00 O ATOM 383 CB PHE A 24 58.027 3.012 12.350 1.00 0.00 C ATOM 384 CG PHE A 24 59.166 2.331 13.102 1.00 0.00 C ATOM 385 CD1 PHE A 24 59.662 1.069 12.709 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.746 2.984 14.193 1.00 0.00 C ATOM 387 CE1 PHE A 24 60.724 0.488 13.411 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.802 2.399 14.891 1.00 0.00 C ATOM 389 CZ PHE A 24 61.294 1.154 14.501 1.00 0.00 C ATOM 0 H PHE A 24 58.110 1.011 11.007 1.00 0.00 H new ATOM 0 HA PHE A 24 56.465 1.800 13.225 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.365 3.301 11.355 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.740 3.927 12.868 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.223 0.553 11.868 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.373 3.950 14.498 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.104 -0.477 13.110 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.240 2.911 15.735 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.115 0.704 15.040 1.00 0.00 H new ATOM 399 N GLU A 25 55.940 3.231 10.277 1.00 0.00 N ATOM 400 CA GLU A 25 54.922 3.912 9.480 1.00 0.00 C ATOM 401 C GLU A 25 53.766 2.962 9.211 1.00 0.00 C ATOM 402 O GLU A 25 52.609 3.372 9.133 1.00 0.00 O ATOM 403 CB GLU A 25 55.518 4.396 8.157 1.00 0.00 C ATOM 404 CG GLU A 25 56.607 5.434 8.435 1.00 0.00 C ATOM 405 CD GLU A 25 57.178 5.954 7.120 1.00 0.00 C ATOM 406 OE1 GLU A 25 57.790 5.172 6.412 1.00 0.00 O ATOM 407 OE2 GLU A 25 56.995 7.128 6.841 1.00 0.00 O ATOM 0 H GLU A 25 56.842 3.120 9.813 1.00 0.00 H new ATOM 0 HA GLU A 25 54.558 4.777 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 25 55.936 3.554 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 25 54.738 4.831 7.532 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.194 6.260 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.401 4.989 9.035 1.00 0.00 H new ATOM 414 N LEU A 26 54.095 1.685 9.101 1.00 0.00 N ATOM 415 CA LEU A 26 53.096 0.660 8.882 1.00 0.00 C ATOM 416 C LEU A 26 52.433 0.350 10.210 1.00 0.00 C ATOM 417 O LEU A 26 51.254 0.015 10.265 1.00 0.00 O ATOM 418 CB LEU A 26 53.752 -0.578 8.253 1.00 0.00 C ATOM 419 CG LEU A 26 52.949 -1.834 8.560 1.00 0.00 C ATOM 420 CD1 LEU A 26 53.156 -2.202 10.037 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.455 -1.601 8.236 1.00 0.00 C ATOM 0 H LEU A 26 55.052 1.336 9.161 1.00 0.00 H new ATOM 0 HA LEU A 26 52.330 1.001 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 26 53.828 -0.445 7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.768 -0.689 8.633 1.00 0.00 H new ATOM 0 HG LEU A 26 53.291 -2.663 7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.586 -3.101 10.271 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.215 -2.385 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.815 -1.381 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 26 50.889 -2.505 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.076 -0.777 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.346 -1.356 7.180 1.00 0.00 H new ATOM 433 N MET A 27 53.187 0.509 11.292 1.00 0.00 N ATOM 434 CA MET A 27 52.623 0.286 12.614 1.00 0.00 C ATOM 435 C MET A 27 51.356 1.115 12.691 1.00 0.00 C ATOM 436 O MET A 27 50.373 0.727 13.319 1.00 0.00 O ATOM 437 CB MET A 27 53.607 0.714 13.720 1.00 0.00 C ATOM 438 CG MET A 27 54.283 -0.511 14.364 1.00 0.00 C ATOM 439 SD MET A 27 53.685 -0.708 16.061 1.00 0.00 S ATOM 440 CE MET A 27 54.783 0.506 16.831 1.00 0.00 C ATOM 0 H MET A 27 54.169 0.785 11.281 1.00 0.00 H new ATOM 0 HA MET A 27 52.417 -0.773 12.766 1.00 0.00 H new ATOM 0 HB2 MET A 27 54.366 1.374 13.300 1.00 0.00 H new ATOM 0 HB3 MET A 27 53.076 1.284 14.483 1.00 0.00 H new ATOM 0 HG2 MET A 27 54.064 -1.407 13.784 1.00 0.00 H new ATOM 0 HG3 MET A 27 55.366 -0.386 14.361 1.00 0.00 H new ATOM 0 HE1 MET A 27 54.583 0.550 17.902 1.00 0.00 H new ATOM 0 HE2 MET A 27 55.820 0.214 16.668 1.00 0.00 H new ATOM 0 HE3 MET A 27 54.608 1.487 16.388 1.00 0.00 H new ATOM 450 N GLN A 28 51.382 2.249 11.995 1.00 0.00 N ATOM 451 CA GLN A 28 50.213 3.108 11.939 1.00 0.00 C ATOM 452 C GLN A 28 49.163 2.410 11.077 1.00 0.00 C ATOM 453 O GLN A 28 47.976 2.732 11.126 1.00 0.00 O ATOM 454 CB GLN A 28 50.597 4.483 11.358 1.00 0.00 C ATOM 455 CG GLN A 28 49.532 4.973 10.370 1.00 0.00 C ATOM 456 CD GLN A 28 49.825 6.413 9.962 1.00 0.00 C ATOM 457 OE1 GLN A 28 50.910 6.927 10.232 1.00 0.00 O ATOM 458 NE2 GLN A 28 48.916 7.098 9.324 1.00 0.00 N ATOM 0 H GLN A 28 52.189 2.587 11.471 1.00 0.00 H new ATOM 0 HA GLN A 28 49.808 3.281 12.936 1.00 0.00 H new ATOM 0 HB2 GLN A 28 50.710 5.206 12.166 1.00 0.00 H new ATOM 0 HB3 GLN A 28 51.562 4.414 10.855 1.00 0.00 H new ATOM 0 HG2 GLN A 28 49.519 4.332 9.489 1.00 0.00 H new ATOM 0 HG3 GLN A 28 48.544 4.909 10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 28 48.017 6.670 9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 28 49.104 8.062 9.048 1.00 0.00 H new ATOM 467 N GLY A 29 49.628 1.427 10.303 1.00 0.00 N ATOM 468 CA GLY A 29 48.748 0.643 9.436 1.00 0.00 C ATOM 469 C GLY A 29 48.217 -0.572 10.189 1.00 0.00 C ATOM 470 O GLY A 29 47.011 -0.817 10.225 1.00 0.00 O ATOM 0 H GLY A 29 50.610 1.155 10.259 1.00 0.00 H new ATOM 0 HA2 GLY A 29 47.917 1.260 9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.292 0.321 8.548 1.00 0.00 H new ATOM 474 N PHE A 30 49.127 -1.307 10.823 1.00 0.00 N ATOM 475 CA PHE A 30 48.746 -2.473 11.618 1.00 0.00 C ATOM 476 C PHE A 30 48.873 -2.116 13.089 1.00 0.00 C ATOM 477 O PHE A 30 49.837 -1.468 13.491 1.00 0.00 O ATOM 478 CB PHE A 30 49.661 -3.676 11.363 1.00 0.00 C ATOM 479 CG PHE A 30 49.711 -4.071 9.902 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.551 -4.223 9.135 1.00 0.00 C ATOM 481 CD2 PHE A 30 50.952 -4.324 9.332 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.656 -4.626 7.795 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.064 -4.721 8.005 1.00 0.00 C ATOM 484 CZ PHE A 30 49.918 -4.875 7.229 1.00 0.00 C ATOM 0 H PHE A 30 50.129 -1.118 10.803 1.00 0.00 H new ATOM 0 HA PHE A 30 47.727 -2.741 11.339 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.668 -3.441 11.706 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.313 -4.524 11.953 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.582 -4.032 9.571 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.844 -4.210 9.930 1.00 0.00 H new ATOM 0 HE1 PHE A 30 47.765 -4.745 7.197 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.037 -4.910 7.577 1.00 0.00 H new ATOM 0 HZ PHE A 30 49.999 -5.184 6.197 1.00 0.00 H new ATOM 494 N ASP A 31 47.935 -2.573 13.901 1.00 0.00 N ATOM 495 CA ASP A 31 48.005 -2.320 15.321 1.00 0.00 C ATOM 496 C ASP A 31 48.685 -3.511 15.933 1.00 0.00 C ATOM 497 O ASP A 31 48.085 -4.575 16.070 1.00 0.00 O ATOM 498 CB ASP A 31 46.610 -2.134 15.911 1.00 0.00 C ATOM 499 CG ASP A 31 46.708 -1.852 17.406 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.742 -2.152 17.979 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.747 -1.339 17.957 1.00 0.00 O ATOM 0 H ASP A 31 47.125 -3.116 13.601 1.00 0.00 H new ATOM 0 HA ASP A 31 48.557 -1.403 15.526 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.101 -1.310 15.410 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.012 -3.029 15.740 1.00 0.00 H new ATOM 506 N ALA A 32 49.957 -3.359 16.244 1.00 0.00 N ATOM 507 CA ALA A 32 50.696 -4.453 16.772 1.00 0.00 C ATOM 508 C ALA A 32 52.050 -3.988 17.231 1.00 0.00 C ATOM 509 O ALA A 32 52.596 -3.008 16.729 1.00 0.00 O ATOM 510 CB ALA A 32 50.848 -5.509 15.698 1.00 0.00 C ATOM 0 H ALA A 32 50.483 -2.492 16.136 1.00 0.00 H new ATOM 0 HA ALA A 32 50.166 -4.873 17.627 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.414 -6.352 16.094 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.862 -5.850 15.381 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.377 -5.086 14.844 1.00 0.00 H new ATOM 516 N GLU A 33 52.577 -4.697 18.192 1.00 0.00 N ATOM 517 CA GLU A 33 53.857 -4.376 18.746 1.00 0.00 C ATOM 518 C GLU A 33 54.893 -5.345 18.230 1.00 0.00 C ATOM 519 O GLU A 33 55.151 -6.394 18.819 1.00 0.00 O ATOM 520 CB GLU A 33 53.732 -4.449 20.242 1.00 0.00 C ATOM 521 CG GLU A 33 54.389 -3.225 20.860 1.00 0.00 C ATOM 522 CD GLU A 33 54.508 -3.393 22.371 1.00 0.00 C ATOM 523 OE1 GLU A 33 53.538 -3.112 23.056 1.00 0.00 O ATOM 524 OE2 GLU A 33 55.566 -3.802 22.820 1.00 0.00 O ATOM 0 H GLU A 33 52.129 -5.512 18.610 1.00 0.00 H new ATOM 0 HA GLU A 33 54.176 -3.375 18.455 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.682 -4.496 20.529 1.00 0.00 H new ATOM 0 HB3 GLU A 33 54.205 -5.357 20.614 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.377 -3.076 20.425 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.803 -2.335 20.631 1.00 0.00 H new ATOM 531 N VAL A 34 55.468 -4.965 17.117 1.00 0.00 N ATOM 532 CA VAL A 34 56.480 -5.777 16.463 1.00 0.00 C ATOM 533 C VAL A 34 57.811 -5.607 17.172 1.00 0.00 C ATOM 534 O VAL A 34 58.315 -4.493 17.297 1.00 0.00 O ATOM 535 CB VAL A 34 56.649 -5.364 14.995 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.408 -6.461 14.247 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.285 -5.128 14.336 1.00 0.00 C ATOM 0 H VAL A 34 55.254 -4.091 16.636 1.00 0.00 H new ATOM 0 HA VAL A 34 56.158 -6.818 16.507 1.00 0.00 H new ATOM 0 HB VAL A 34 57.213 -4.432 14.953 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.530 -6.172 13.203 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.388 -6.600 14.702 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.847 -7.394 14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.429 -4.836 13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.697 -6.045 14.378 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.757 -4.335 14.866 1.00 0.00 H new ATOM 547 N LEU A 35 58.377 -6.708 17.650 1.00 0.00 N ATOM 548 CA LEU A 35 59.647 -6.636 18.352 1.00 0.00 C ATOM 549 C LEU A 35 60.747 -7.352 17.558 1.00 0.00 C ATOM 550 O LEU A 35 60.587 -8.501 17.145 1.00 0.00 O ATOM 551 CB LEU A 35 59.479 -7.234 19.755 1.00 0.00 C ATOM 552 CG LEU A 35 60.680 -8.103 20.138 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.969 -7.267 20.095 1.00 0.00 C ATOM 554 CD2 LEU A 35 60.455 -8.645 21.551 1.00 0.00 C ATOM 0 H LEU A 35 57.983 -7.645 17.566 1.00 0.00 H new ATOM 0 HA LEU A 35 59.953 -5.595 18.451 1.00 0.00 H new ATOM 0 HB2 LEU A 35 59.362 -6.431 20.483 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.569 -7.832 19.791 1.00 0.00 H new ATOM 0 HG LEU A 35 60.781 -8.929 19.434 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.818 -7.893 20.369 1.00 0.00 H new ATOM 0 HD12 LEU A 35 62.116 -6.876 19.088 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.888 -6.438 20.798 1.00 0.00 H new ATOM 0 HD21 LEU A 35 61.302 -9.267 21.841 1.00 0.00 H new ATOM 0 HD22 LEU A 35 60.360 -7.813 22.249 1.00 0.00 H new ATOM 0 HD23 LEU A 35 59.543 -9.241 21.571 1.00 0.00 H new ATOM 566 N LEU A 36 61.849 -6.640 17.328 1.00 0.00 N ATOM 567 CA LEU A 36 62.979 -7.164 16.557 1.00 0.00 C ATOM 568 C LEU A 36 64.195 -7.456 17.437 1.00 0.00 C ATOM 569 O LEU A 36 64.691 -6.565 18.114 1.00 0.00 O ATOM 570 CB LEU A 36 63.391 -6.100 15.550 1.00 0.00 C ATOM 571 CG LEU A 36 62.501 -6.167 14.311 1.00 0.00 C ATOM 572 CD1 LEU A 36 61.029 -6.154 14.728 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.780 -4.949 13.438 1.00 0.00 C ATOM 0 H LEU A 36 61.985 -5.688 17.668 1.00 0.00 H new ATOM 0 HA LEU A 36 62.663 -8.094 16.084 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.318 -5.112 16.005 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.433 -6.244 15.265 1.00 0.00 H new ATOM 0 HG LEU A 36 62.712 -7.084 13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 36 60.399 -6.202 13.840 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.824 -7.014 15.365 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.814 -5.237 15.276 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.150 -4.986 12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.562 -4.041 14.000 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.828 -4.948 13.139 1.00 0.00 H new ATOM 585 N ARG A 37 64.706 -8.687 17.397 1.00 0.00 N ATOM 586 CA ARG A 37 65.886 -9.020 18.166 1.00 0.00 C ATOM 587 C ARG A 37 66.722 -10.060 17.464 1.00 0.00 C ATOM 588 O ARG A 37 66.207 -10.925 16.766 1.00 0.00 O ATOM 589 CB ARG A 37 65.525 -9.557 19.542 1.00 0.00 C ATOM 590 CG ARG A 37 64.519 -10.703 19.430 1.00 0.00 C ATOM 591 CD ARG A 37 63.520 -10.633 20.589 1.00 0.00 C ATOM 592 NE ARG A 37 62.484 -11.646 20.436 1.00 0.00 N ATOM 593 CZ ARG A 37 61.739 -12.026 21.469 1.00 0.00 C ATOM 594 NH1 ARG A 37 60.804 -12.921 21.303 1.00 0.00 N ATOM 595 NH2 ARG A 37 61.947 -11.511 22.650 1.00 0.00 N ATOM 0 H ARG A 37 64.322 -9.454 16.846 1.00 0.00 H new ATOM 0 HA ARG A 37 66.453 -8.095 18.271 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.425 -9.905 20.049 1.00 0.00 H new ATOM 0 HB3 ARG A 37 65.105 -8.757 20.151 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.991 -10.643 18.479 1.00 0.00 H new ATOM 0 HG3 ARG A 37 65.041 -11.660 19.445 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.042 -10.779 21.535 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.065 -9.643 20.625 1.00 0.00 H new ATOM 0 HE ARG A 37 62.328 -12.070 19.522 1.00 0.00 H new ATOM 0 HH11 ARG A 37 60.646 -13.328 20.381 1.00 0.00 H new ATOM 0 HH12 ARG A 37 60.232 -13.213 22.095 1.00 0.00 H new ATOM 0 HH21 ARG A 37 62.682 -10.816 22.781 1.00 0.00 H new ATOM 0 HH22 ARG A 37 61.375 -11.803 23.442 1.00 0.00 H new ATOM 609 N ASN A 38 68.017 -9.989 17.694 1.00 0.00 N ATOM 610 CA ASN A 38 68.927 -10.954 17.104 1.00 0.00 C ATOM 611 C ASN A 38 69.362 -11.974 18.132 1.00 0.00 C ATOM 612 O ASN A 38 69.658 -11.632 19.283 1.00 0.00 O ATOM 613 CB ASN A 38 70.184 -10.298 16.548 1.00 0.00 C ATOM 614 CG ASN A 38 69.942 -8.885 16.089 1.00 0.00 C ATOM 615 OD1 ASN A 38 68.810 -8.407 16.058 1.00 0.00 O ATOM 616 ND2 ASN A 38 70.973 -8.179 15.744 1.00 0.00 N ATOM 0 H ASN A 38 68.462 -9.281 18.279 1.00 0.00 H new ATOM 0 HA ASN A 38 68.379 -11.429 16.290 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.960 -10.300 17.313 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.559 -10.889 15.712 1.00 0.00 H new ATOM 0 HD21 ASN A 38 70.851 -7.213 15.441 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.906 -8.590 15.775 1.00 0.00 H new ATOM 623 N ASP A 39 69.436 -13.220 17.692 1.00 0.00 N ATOM 624 CA ASP A 39 69.872 -14.300 18.565 1.00 0.00 C ATOM 625 C ASP A 39 71.117 -13.879 19.336 1.00 0.00 C ATOM 626 O ASP A 39 71.507 -14.527 20.306 1.00 0.00 O ATOM 627 CB ASP A 39 70.180 -15.547 17.745 1.00 0.00 C ATOM 628 CG ASP A 39 71.417 -15.314 16.884 1.00 0.00 C ATOM 629 OD1 ASP A 39 71.999 -16.291 16.440 1.00 0.00 O ATOM 630 OD2 ASP A 39 71.765 -14.162 16.680 1.00 0.00 O ATOM 0 H ASP A 39 69.202 -13.508 16.742 1.00 0.00 H new ATOM 0 HA ASP A 39 69.070 -14.523 19.269 1.00 0.00 H new ATOM 0 HB2 ASP A 39 70.343 -16.397 18.408 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.328 -15.795 17.112 1.00 0.00 H new ATOM 635 N GLU A 40 71.732 -12.781 18.901 1.00 0.00 N ATOM 636 CA GLU A 40 72.926 -12.282 19.568 1.00 0.00 C ATOM 637 C GLU A 40 72.546 -11.659 20.898 1.00 0.00 C ATOM 638 O GLU A 40 73.402 -11.171 21.635 1.00 0.00 O ATOM 639 CB GLU A 40 73.592 -11.200 18.717 1.00 0.00 C ATOM 640 CG GLU A 40 74.188 -11.808 17.449 1.00 0.00 C ATOM 641 CD GLU A 40 75.251 -12.843 17.806 1.00 0.00 C ATOM 642 OE1 GLU A 40 76.350 -12.440 18.150 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.950 -14.023 17.731 1.00 0.00 O ATOM 0 H GLU A 40 71.426 -12.228 18.100 1.00 0.00 H new ATOM 0 HA GLU A 40 73.610 -13.117 19.717 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.861 -10.436 18.452 1.00 0.00 H new ATOM 0 HB3 GLU A 40 74.375 -10.706 19.293 1.00 0.00 H new ATOM 0 HG2 GLU A 40 73.401 -12.275 16.857 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.627 -11.023 16.833 1.00 0.00 H new ATOM 650 N GLY A 41 71.252 -11.654 21.187 1.00 0.00 N ATOM 651 CA GLY A 41 70.769 -11.057 22.416 1.00 0.00 C ATOM 652 C GLY A 41 70.347 -9.629 22.134 1.00 0.00 C ATOM 653 O GLY A 41 69.803 -8.944 22.999 1.00 0.00 O ATOM 0 H GLY A 41 70.527 -12.053 20.591 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.928 -11.629 22.808 1.00 0.00 H new ATOM 0 HA3 GLY A 41 71.549 -11.076 23.177 1.00 0.00 H new ATOM 657 N THR A 42 70.585 -9.194 20.896 1.00 0.00 N ATOM 658 CA THR A 42 70.202 -7.847 20.498 1.00 0.00 C ATOM 659 C THR A 42 68.689 -7.766 20.474 1.00 0.00 C ATOM 660 O THR A 42 68.035 -8.616 19.880 1.00 0.00 O ATOM 661 CB THR A 42 70.767 -7.508 19.110 1.00 0.00 C ATOM 662 OG1 THR A 42 72.043 -6.900 19.259 1.00 0.00 O ATOM 663 CG2 THR A 42 69.824 -6.542 18.376 1.00 0.00 C ATOM 0 H THR A 42 71.034 -9.747 20.166 1.00 0.00 H new ATOM 0 HA THR A 42 70.608 -7.129 21.210 1.00 0.00 H new ATOM 0 HB THR A 42 70.859 -8.425 18.528 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.408 -6.684 18.375 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.235 -6.309 17.394 1.00 0.00 H new ATOM 0 HG22 THR A 42 68.845 -7.007 18.259 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.722 -5.623 18.954 1.00 0.00 H new ATOM 671 N GLU A 43 68.137 -6.750 21.119 1.00 0.00 N ATOM 672 CA GLU A 43 66.688 -6.594 21.156 1.00 0.00 C ATOM 673 C GLU A 43 66.286 -5.232 20.624 1.00 0.00 C ATOM 674 O GLU A 43 66.866 -4.213 21.001 1.00 0.00 O ATOM 675 CB GLU A 43 66.170 -6.769 22.589 1.00 0.00 C ATOM 676 CG GLU A 43 67.095 -7.716 23.360 1.00 0.00 C ATOM 677 CD GLU A 43 68.331 -6.962 23.839 1.00 0.00 C ATOM 678 OE1 GLU A 43 68.575 -5.880 23.332 1.00 0.00 O ATOM 679 OE2 GLU A 43 69.017 -7.478 24.706 1.00 0.00 O ATOM 0 H GLU A 43 68.660 -6.030 21.618 1.00 0.00 H new ATOM 0 HA GLU A 43 66.244 -7.362 20.523 1.00 0.00 H new ATOM 0 HB2 GLU A 43 66.124 -5.802 23.090 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.156 -7.168 22.573 1.00 0.00 H new ATOM 0 HG2 GLU A 43 66.565 -8.141 24.212 1.00 0.00 H new ATOM 0 HG3 GLU A 43 67.391 -8.548 22.721 1.00 0.00 H new ATOM 686 N ALA A 44 65.307 -5.216 19.723 1.00 0.00 N ATOM 687 CA ALA A 44 64.871 -3.965 19.132 1.00 0.00 C ATOM 688 C ALA A 44 63.355 -3.873 19.014 1.00 0.00 C ATOM 689 O ALA A 44 62.722 -4.681 18.337 1.00 0.00 O ATOM 690 CB ALA A 44 65.480 -3.847 17.740 1.00 0.00 C ATOM 0 H ALA A 44 64.810 -6.044 19.394 1.00 0.00 H new ATOM 0 HA ALA A 44 65.200 -3.156 19.784 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.161 -2.911 17.282 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.567 -3.862 17.816 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.147 -4.683 17.125 1.00 0.00 H new ATOM 696 N GLU A 45 62.788 -2.849 19.637 1.00 0.00 N ATOM 697 CA GLU A 45 61.355 -2.619 19.555 1.00 0.00 C ATOM 698 C GLU A 45 61.052 -1.875 18.259 1.00 0.00 C ATOM 699 O GLU A 45 61.497 -0.744 18.068 1.00 0.00 O ATOM 700 CB GLU A 45 60.881 -1.790 20.754 1.00 0.00 C ATOM 701 CG GLU A 45 59.467 -2.218 21.156 1.00 0.00 C ATOM 702 CD GLU A 45 58.882 -1.218 22.146 1.00 0.00 C ATOM 703 OE1 GLU A 45 59.533 -0.949 23.142 1.00 0.00 O ATOM 704 OE2 GLU A 45 57.790 -0.735 21.894 1.00 0.00 O ATOM 0 H GLU A 45 63.296 -2.168 20.202 1.00 0.00 H new ATOM 0 HA GLU A 45 60.831 -3.574 19.567 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.564 -1.925 21.593 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.892 -0.730 20.501 1.00 0.00 H new ATOM 0 HG2 GLU A 45 58.832 -2.281 20.272 1.00 0.00 H new ATOM 0 HG3 GLU A 45 59.492 -3.212 21.602 1.00 0.00 H new ATOM 711 N ALA A 46 60.322 -2.527 17.366 1.00 0.00 N ATOM 712 CA ALA A 46 59.985 -1.935 16.074 1.00 0.00 C ATOM 713 C ALA A 46 59.457 -0.505 16.194 1.00 0.00 C ATOM 714 O ALA A 46 59.044 0.083 15.197 1.00 0.00 O ATOM 715 CB ALA A 46 58.927 -2.777 15.394 1.00 0.00 C ATOM 0 H ALA A 46 59.950 -3.466 17.510 1.00 0.00 H new ATOM 0 HA ALA A 46 60.906 -1.905 15.492 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.675 -2.336 14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.308 -3.787 15.242 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.035 -2.816 16.019 1.00 0.00 H new ATOM 721 N ASN A 47 59.459 0.055 17.397 1.00 0.00 N ATOM 722 CA ASN A 47 58.971 1.418 17.583 1.00 0.00 C ATOM 723 C ASN A 47 60.128 2.343 17.954 1.00 0.00 C ATOM 724 O ASN A 47 59.921 3.482 18.372 1.00 0.00 O ATOM 725 CB ASN A 47 57.875 1.443 18.659 1.00 0.00 C ATOM 726 CG ASN A 47 58.388 2.085 19.947 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.969 1.404 20.792 1.00 0.00 O ATOM 728 ND2 ASN A 47 58.208 3.362 20.146 1.00 0.00 N ATOM 0 H ASN A 47 59.787 -0.404 18.247 1.00 0.00 H new ATOM 0 HA ASN A 47 58.538 1.775 16.649 1.00 0.00 H new ATOM 0 HB2 ASN A 47 57.011 1.997 18.291 1.00 0.00 H new ATOM 0 HB3 ASN A 47 57.538 0.427 18.864 1.00 0.00 H new ATOM 0 HD21 ASN A 47 58.549 3.798 21.003 1.00 0.00 H new ATOM 0 HD22 ASN A 47 57.726 3.925 19.445 1.00 0.00 H new ATOM 735 N SER A 48 61.350 1.840 17.783 1.00 0.00 N ATOM 736 CA SER A 48 62.545 2.616 18.087 1.00 0.00 C ATOM 737 C SER A 48 63.523 2.574 16.918 1.00 0.00 C ATOM 738 O SER A 48 63.827 1.506 16.391 1.00 0.00 O ATOM 739 CB SER A 48 63.233 2.038 19.326 1.00 0.00 C ATOM 740 OG SER A 48 64.641 2.035 19.128 1.00 0.00 O ATOM 0 H SER A 48 61.535 0.899 17.436 1.00 0.00 H new ATOM 0 HA SER A 48 62.247 3.648 18.270 1.00 0.00 H new ATOM 0 HB2 SER A 48 62.980 2.630 20.205 1.00 0.00 H new ATOM 0 HB3 SER A 48 62.879 1.024 19.512 1.00 0.00 H new ATOM 0 HG SER A 48 65.045 2.767 19.639 1.00 0.00 H new ATOM 746 N VAL A 49 64.037 3.734 16.532 1.00 0.00 N ATOM 747 CA VAL A 49 65.006 3.784 15.448 1.00 0.00 C ATOM 748 C VAL A 49 66.335 3.270 15.971 1.00 0.00 C ATOM 749 O VAL A 49 67.149 2.732 15.220 1.00 0.00 O ATOM 750 CB VAL A 49 65.160 5.213 14.932 1.00 0.00 C ATOM 751 CG1 VAL A 49 65.611 5.189 13.469 1.00 0.00 C ATOM 752 CG2 VAL A 49 63.814 5.930 15.039 1.00 0.00 C ATOM 0 H VAL A 49 63.804 4.637 16.945 1.00 0.00 H new ATOM 0 HA VAL A 49 64.664 3.164 14.619 1.00 0.00 H new ATOM 0 HB VAL A 49 65.907 5.738 15.528 1.00 0.00 H new ATOM 0 HG11 VAL A 49 65.720 6.211 13.105 1.00 0.00 H new ATOM 0 HG12 VAL A 49 66.568 4.673 13.392 1.00 0.00 H new ATOM 0 HG13 VAL A 49 64.867 4.667 12.867 1.00 0.00 H new ATOM 0 HG21 VAL A 49 63.916 6.951 14.672 1.00 0.00 H new ATOM 0 HG22 VAL A 49 63.072 5.402 14.440 1.00 0.00 H new ATOM 0 HG23 VAL A 49 63.493 5.949 16.081 1.00 0.00 H new ATOM 762 N ILE A 50 66.527 3.406 17.282 1.00 0.00 N ATOM 763 CA ILE A 50 67.717 2.925 17.920 1.00 0.00 C ATOM 764 C ILE A 50 67.721 1.418 17.772 1.00 0.00 C ATOM 765 O ILE A 50 68.734 0.803 17.438 1.00 0.00 O ATOM 766 CB ILE A 50 67.660 3.360 19.389 1.00 0.00 C ATOM 767 CG1 ILE A 50 68.879 4.220 19.723 1.00 0.00 C ATOM 768 CG2 ILE A 50 67.603 2.154 20.315 1.00 0.00 C ATOM 769 CD1 ILE A 50 70.171 3.429 19.476 1.00 0.00 C ATOM 0 H ILE A 50 65.860 3.850 17.913 1.00 0.00 H new ATOM 0 HA ILE A 50 68.632 3.323 17.481 1.00 0.00 H new ATOM 0 HB ILE A 50 66.752 3.945 19.538 1.00 0.00 H new ATOM 0 HG12 ILE A 50 68.874 5.123 19.112 1.00 0.00 H new ATOM 0 HG13 ILE A 50 68.833 4.540 20.764 1.00 0.00 H new ATOM 0 HG21 ILE A 50 67.563 2.492 21.351 1.00 0.00 H new ATOM 0 HG22 ILE A 50 66.714 1.565 20.091 1.00 0.00 H new ATOM 0 HG23 ILE A 50 68.491 1.540 20.168 1.00 0.00 H new ATOM 0 HD11 ILE A 50 71.031 4.053 19.718 1.00 0.00 H new ATOM 0 HD12 ILE A 50 70.179 2.540 20.106 1.00 0.00 H new ATOM 0 HD13 ILE A 50 70.221 3.132 18.428 1.00 0.00 H new ATOM 781 N ALA A 51 66.544 0.843 17.988 1.00 0.00 N ATOM 782 CA ALA A 51 66.358 -0.577 17.846 1.00 0.00 C ATOM 783 C ALA A 51 66.879 -1.006 16.482 1.00 0.00 C ATOM 784 O ALA A 51 67.749 -1.870 16.376 1.00 0.00 O ATOM 785 CB ALA A 51 64.861 -0.891 17.968 1.00 0.00 C ATOM 0 H ALA A 51 65.704 1.352 18.264 1.00 0.00 H new ATOM 0 HA ALA A 51 66.902 -1.117 18.621 1.00 0.00 H new ATOM 0 HB1 ALA A 51 64.705 -1.965 17.862 1.00 0.00 H new ATOM 0 HB2 ALA A 51 64.499 -0.566 18.944 1.00 0.00 H new ATOM 0 HB3 ALA A 51 64.314 -0.366 17.185 1.00 0.00 H new ATOM 791 N LEU A 52 66.344 -0.376 15.444 1.00 0.00 N ATOM 792 CA LEU A 52 66.751 -0.671 14.086 1.00 0.00 C ATOM 793 C LEU A 52 68.246 -0.439 13.919 1.00 0.00 C ATOM 794 O LEU A 52 68.928 -1.196 13.229 1.00 0.00 O ATOM 795 CB LEU A 52 65.973 0.223 13.120 1.00 0.00 C ATOM 796 CG LEU A 52 64.463 0.032 13.326 1.00 0.00 C ATOM 797 CD1 LEU A 52 63.699 1.081 12.511 1.00 0.00 C ATOM 798 CD2 LEU A 52 64.036 -1.373 12.871 1.00 0.00 C ATOM 0 H LEU A 52 65.626 0.344 15.522 1.00 0.00 H new ATOM 0 HA LEU A 52 66.537 -1.717 13.868 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.241 1.267 13.282 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.241 -0.019 12.092 1.00 0.00 H new ATOM 0 HG LEU A 52 64.235 0.148 14.386 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.627 0.946 12.657 1.00 0.00 H new ATOM 0 HD12 LEU A 52 63.987 2.079 12.841 1.00 0.00 H new ATOM 0 HD13 LEU A 52 63.938 0.966 11.454 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.963 -1.494 13.023 1.00 0.00 H new ATOM 0 HD22 LEU A 52 64.270 -1.500 11.814 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.572 -2.123 13.453 1.00 0.00 H new ATOM 810 N LEU A 53 68.754 0.606 14.558 1.00 0.00 N ATOM 811 CA LEU A 53 70.176 0.905 14.472 1.00 0.00 C ATOM 812 C LEU A 53 70.984 -0.249 15.059 1.00 0.00 C ATOM 813 O LEU A 53 72.047 -0.605 14.550 1.00 0.00 O ATOM 814 CB LEU A 53 70.481 2.194 15.241 1.00 0.00 C ATOM 815 CG LEU A 53 71.644 2.941 14.576 1.00 0.00 C ATOM 816 CD1 LEU A 53 72.032 4.143 15.437 1.00 0.00 C ATOM 817 CD2 LEU A 53 72.851 2.006 14.438 1.00 0.00 C ATOM 0 H LEU A 53 68.213 1.252 15.133 1.00 0.00 H new ATOM 0 HA LEU A 53 70.451 1.038 13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 53 69.596 2.830 15.265 1.00 0.00 H new ATOM 0 HB3 LEU A 53 70.733 1.959 16.275 1.00 0.00 H new ATOM 0 HG LEU A 53 71.335 3.280 13.587 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.858 4.676 14.967 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.177 4.812 15.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 72.337 3.799 16.425 1.00 0.00 H new ATOM 0 HD21 LEU A 53 73.674 2.542 13.965 1.00 0.00 H new ATOM 0 HD22 LEU A 53 73.161 1.664 15.425 1.00 0.00 H new ATOM 0 HD23 LEU A 53 72.578 1.147 13.825 1.00 0.00 H new ATOM 829 N MET A 54 70.470 -0.824 16.140 1.00 0.00 N ATOM 830 CA MET A 54 71.147 -1.932 16.807 1.00 0.00 C ATOM 831 C MET A 54 71.342 -3.117 15.865 1.00 0.00 C ATOM 832 O MET A 54 72.464 -3.586 15.677 1.00 0.00 O ATOM 833 CB MET A 54 70.343 -2.384 18.027 1.00 0.00 C ATOM 834 CG MET A 54 71.165 -3.393 18.836 1.00 0.00 C ATOM 835 SD MET A 54 72.562 -2.544 19.617 1.00 0.00 S ATOM 836 CE MET A 54 72.413 -3.303 21.254 1.00 0.00 C ATOM 0 H MET A 54 69.590 -0.543 16.573 1.00 0.00 H new ATOM 0 HA MET A 54 72.128 -1.576 17.122 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.090 -1.524 18.648 1.00 0.00 H new ATOM 0 HB3 MET A 54 69.403 -2.836 17.709 1.00 0.00 H new ATOM 0 HG2 MET A 54 70.540 -3.862 19.596 1.00 0.00 H new ATOM 0 HG3 MET A 54 71.527 -4.189 18.185 1.00 0.00 H new ATOM 0 HE1 MET A 54 73.193 -2.914 21.908 1.00 0.00 H new ATOM 0 HE2 MET A 54 71.436 -3.069 21.676 1.00 0.00 H new ATOM 0 HE3 MET A 54 72.520 -4.384 21.165 1.00 0.00 H new ATOM 846 N LEU A 55 70.251 -3.613 15.286 1.00 0.00 N ATOM 847 CA LEU A 55 70.351 -4.758 14.387 1.00 0.00 C ATOM 848 C LEU A 55 71.065 -4.377 13.095 1.00 0.00 C ATOM 849 O LEU A 55 71.448 -5.245 12.314 1.00 0.00 O ATOM 850 CB LEU A 55 68.968 -5.330 14.065 1.00 0.00 C ATOM 851 CG LEU A 55 67.913 -4.213 14.051 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.950 -4.420 12.879 1.00 0.00 C ATOM 853 CD2 LEU A 55 67.122 -4.259 15.356 1.00 0.00 C ATOM 0 H LEU A 55 69.307 -3.249 15.419 1.00 0.00 H new ATOM 0 HA LEU A 55 70.934 -5.524 14.899 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.991 -5.829 13.096 1.00 0.00 H new ATOM 0 HB3 LEU A 55 68.698 -6.084 14.805 1.00 0.00 H new ATOM 0 HG LEU A 55 68.411 -3.249 13.945 1.00 0.00 H new ATOM 0 HD11 LEU A 55 66.205 -3.624 12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.507 -4.400 11.942 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.451 -5.384 12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 55 66.371 -3.469 15.354 1.00 0.00 H new ATOM 0 HD22 LEU A 55 66.630 -5.227 15.449 1.00 0.00 H new ATOM 0 HD23 LEU A 55 67.799 -4.113 16.197 1.00 0.00 H new ATOM 865 N ASP A 56 71.262 -3.084 12.884 1.00 0.00 N ATOM 866 CA ASP A 56 71.958 -2.627 11.693 1.00 0.00 C ATOM 867 C ASP A 56 73.294 -3.332 11.644 1.00 0.00 C ATOM 868 O ASP A 56 73.788 -3.702 10.579 1.00 0.00 O ATOM 869 CB ASP A 56 72.164 -1.111 11.738 1.00 0.00 C ATOM 870 CG ASP A 56 72.517 -0.592 10.348 1.00 0.00 C ATOM 871 OD1 ASP A 56 72.247 0.568 10.084 1.00 0.00 O ATOM 872 OD2 ASP A 56 73.052 -1.363 9.568 1.00 0.00 O ATOM 0 H ASP A 56 70.954 -2.342 13.513 1.00 0.00 H new ATOM 0 HA ASP A 56 71.370 -2.855 10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 56 71.258 -0.623 12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 56 72.960 -0.864 12.440 1.00 0.00 H new ATOM 877 N SER A 57 73.851 -3.547 12.829 1.00 0.00 N ATOM 878 CA SER A 57 75.110 -4.248 12.947 1.00 0.00 C ATOM 879 C SER A 57 74.913 -5.690 12.507 1.00 0.00 C ATOM 880 O SER A 57 75.865 -6.468 12.453 1.00 0.00 O ATOM 881 CB SER A 57 75.605 -4.209 14.393 1.00 0.00 C ATOM 882 OG SER A 57 76.688 -5.117 14.543 1.00 0.00 O ATOM 0 H SER A 57 73.448 -3.245 13.716 1.00 0.00 H new ATOM 0 HA SER A 57 75.855 -3.766 12.314 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.923 -3.199 14.654 1.00 0.00 H new ATOM 0 HB3 SER A 57 74.796 -4.474 15.074 1.00 0.00 H new ATOM 0 HG SER A 57 76.880 -5.543 13.681 1.00 0.00 H new ATOM 888 N ALA A 58 73.659 -6.039 12.185 1.00 0.00 N ATOM 889 CA ALA A 58 73.352 -7.401 11.733 1.00 0.00 C ATOM 890 C ALA A 58 74.442 -7.880 10.775 1.00 0.00 C ATOM 891 O ALA A 58 75.317 -7.105 10.390 1.00 0.00 O ATOM 892 CB ALA A 58 71.999 -7.444 11.017 1.00 0.00 C ATOM 0 H ALA A 58 72.857 -5.411 12.228 1.00 0.00 H new ATOM 0 HA ALA A 58 73.309 -8.052 12.606 1.00 0.00 H new ATOM 0 HB1 ALA A 58 71.792 -8.463 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.215 -7.116 11.700 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.025 -6.784 10.150 1.00 0.00 H new ATOM 898 N LYS A 59 74.387 -9.147 10.382 1.00 0.00 N ATOM 899 CA LYS A 59 75.385 -9.691 9.464 1.00 0.00 C ATOM 900 C LYS A 59 75.250 -11.209 9.371 1.00 0.00 C ATOM 901 O LYS A 59 76.152 -11.953 9.757 1.00 0.00 O ATOM 902 CB LYS A 59 76.802 -9.311 9.937 1.00 0.00 C ATOM 903 CG LYS A 59 77.431 -8.311 8.959 1.00 0.00 C ATOM 904 CD LYS A 59 78.611 -7.609 9.634 1.00 0.00 C ATOM 905 CE LYS A 59 79.401 -6.819 8.590 1.00 0.00 C ATOM 906 NZ LYS A 59 78.466 -5.971 7.797 1.00 0.00 N ATOM 0 H LYS A 59 73.672 -9.811 10.679 1.00 0.00 H new ATOM 0 HA LYS A 59 75.218 -9.266 8.474 1.00 0.00 H new ATOM 0 HB2 LYS A 59 76.757 -8.876 10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.423 -10.204 10.006 1.00 0.00 H new ATOM 0 HG2 LYS A 59 77.768 -8.828 8.060 1.00 0.00 H new ATOM 0 HG3 LYS A 59 76.689 -7.577 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 59 78.251 -6.940 10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 59 79.257 -8.343 10.115 1.00 0.00 H new ATOM 0 HE2 LYS A 59 80.149 -6.195 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 59 79.938 -7.502 7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 79.000 -5.214 7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 77.988 -6.556 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 77.756 -5.551 8.431 1.00 0.00 H new ATOM 920 N GLY A 60 74.114 -11.662 8.860 1.00 0.00 N ATOM 921 CA GLY A 60 73.870 -13.094 8.724 1.00 0.00 C ATOM 922 C GLY A 60 73.126 -13.623 9.939 1.00 0.00 C ATOM 923 O GLY A 60 72.457 -14.654 9.873 1.00 0.00 O ATOM 0 H GLY A 60 73.352 -11.067 8.535 1.00 0.00 H new ATOM 0 HA2 GLY A 60 73.289 -13.286 7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 60 74.817 -13.622 8.612 1.00 0.00 H new ATOM 927 N ARG A 61 73.241 -12.901 11.045 1.00 0.00 N ATOM 928 CA ARG A 61 72.573 -13.290 12.270 1.00 0.00 C ATOM 929 C ARG A 61 71.128 -13.637 11.980 1.00 0.00 C ATOM 930 O ARG A 61 70.609 -13.336 10.908 1.00 0.00 O ATOM 931 CB ARG A 61 72.628 -12.130 13.277 1.00 0.00 C ATOM 932 CG ARG A 61 73.877 -12.269 14.135 1.00 0.00 C ATOM 933 CD ARG A 61 75.120 -12.310 13.238 1.00 0.00 C ATOM 934 NE ARG A 61 76.308 -11.850 13.968 1.00 0.00 N ATOM 935 CZ ARG A 61 76.346 -10.686 14.614 1.00 0.00 C ATOM 936 NH1 ARG A 61 77.397 -10.372 15.320 1.00 0.00 N ATOM 937 NH2 ARG A 61 75.357 -9.841 14.513 1.00 0.00 N ATOM 0 H ARG A 61 73.791 -12.045 11.115 1.00 0.00 H new ATOM 0 HA ARG A 61 73.075 -14.162 12.689 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.639 -11.176 12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 61 71.738 -12.137 13.906 1.00 0.00 H new ATOM 0 HG2 ARG A 61 73.947 -11.433 14.831 1.00 0.00 H new ATOM 0 HG3 ARG A 61 73.819 -13.178 14.734 1.00 0.00 H new ATOM 0 HD2 ARG A 61 75.280 -13.326 12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.961 -11.682 12.361 1.00 0.00 H new ATOM 0 HE ARG A 61 77.136 -12.445 13.981 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.185 -11.017 15.376 1.00 0.00 H new ATOM 0 HH12 ARG A 61 77.431 -9.482 15.816 1.00 0.00 H new ATOM 0 HH21 ARG A 61 74.547 -10.070 13.936 1.00 0.00 H new ATOM 0 HH22 ARG A 61 75.393 -8.951 15.011 1.00 0.00 H new ATOM 951 N GLN A 62 70.476 -14.238 12.955 1.00 0.00 N ATOM 952 CA GLN A 62 69.075 -14.581 12.815 1.00 0.00 C ATOM 953 C GLN A 62 68.296 -13.690 13.756 1.00 0.00 C ATOM 954 O GLN A 62 68.664 -13.531 14.919 1.00 0.00 O ATOM 955 CB GLN A 62 68.833 -16.056 13.142 1.00 0.00 C ATOM 956 CG GLN A 62 69.095 -16.293 14.626 1.00 0.00 C ATOM 957 CD GLN A 62 69.550 -17.730 14.860 1.00 0.00 C ATOM 958 OE1 GLN A 62 70.434 -18.225 14.160 1.00 0.00 O ATOM 959 NE2 GLN A 62 68.996 -18.434 15.810 1.00 0.00 N ATOM 0 H GLN A 62 70.892 -14.498 13.849 1.00 0.00 H new ATOM 0 HA GLN A 62 68.751 -14.429 11.785 1.00 0.00 H new ATOM 0 HB2 GLN A 62 67.808 -16.332 12.893 1.00 0.00 H new ATOM 0 HB3 GLN A 62 69.488 -16.686 12.540 1.00 0.00 H new ATOM 0 HG2 GLN A 62 69.857 -15.600 14.983 1.00 0.00 H new ATOM 0 HG3 GLN A 62 68.189 -16.093 15.199 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.264 -18.023 16.389 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.295 -19.395 15.973 1.00 0.00 H new ATOM 968 N ILE A 63 67.246 -13.081 13.246 1.00 0.00 N ATOM 969 CA ILE A 63 66.460 -12.179 14.044 1.00 0.00 C ATOM 970 C ILE A 63 65.192 -12.836 14.492 1.00 0.00 C ATOM 971 O ILE A 63 64.571 -13.602 13.763 1.00 0.00 O ATOM 972 CB ILE A 63 66.138 -10.940 13.235 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.596 -9.852 14.163 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.099 -11.278 12.167 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.719 -8.877 14.522 1.00 0.00 C ATOM 0 H ILE A 63 66.922 -13.197 12.286 1.00 0.00 H new ATOM 0 HA ILE A 63 67.034 -11.901 14.928 1.00 0.00 H new ATOM 0 HB ILE A 63 67.044 -10.579 12.748 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.779 -9.319 13.676 1.00 0.00 H new ATOM 0 HG13 ILE A 63 65.188 -10.302 15.068 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.870 -10.384 11.587 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.495 -12.049 11.505 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.190 -11.643 12.646 1.00 0.00 H new ATOM 0 HD11 ILE A 63 66.331 -8.102 15.183 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.521 -9.416 15.026 1.00 0.00 H new ATOM 0 HD13 ILE A 63 67.106 -8.417 13.613 1.00 0.00 H new ATOM 987 N GLU A 64 64.823 -12.507 15.701 1.00 0.00 N ATOM 988 CA GLU A 64 63.624 -13.034 16.305 1.00 0.00 C ATOM 989 C GLU A 64 62.561 -11.958 16.266 1.00 0.00 C ATOM 990 O GLU A 64 62.604 -10.999 17.035 1.00 0.00 O ATOM 991 CB GLU A 64 63.935 -13.463 17.746 1.00 0.00 C ATOM 992 CG GLU A 64 63.659 -14.956 17.928 1.00 0.00 C ATOM 993 CD GLU A 64 62.159 -15.223 17.880 1.00 0.00 C ATOM 994 OE1 GLU A 64 61.787 -16.376 17.741 1.00 0.00 O ATOM 995 OE2 GLU A 64 61.404 -14.270 17.982 1.00 0.00 O ATOM 0 H GLU A 64 65.345 -11.865 16.298 1.00 0.00 H new ATOM 0 HA GLU A 64 63.261 -13.908 15.764 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.978 -13.248 17.979 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.327 -12.886 18.443 1.00 0.00 H new ATOM 0 HG2 GLU A 64 64.162 -15.524 17.146 1.00 0.00 H new ATOM 0 HG3 GLU A 64 64.066 -15.295 18.881 1.00 0.00 H new ATOM 1002 N VAL A 65 61.620 -12.094 15.347 1.00 0.00 N ATOM 1003 CA VAL A 65 60.589 -11.101 15.221 1.00 0.00 C ATOM 1004 C VAL A 65 59.430 -11.437 16.124 1.00 0.00 C ATOM 1005 O VAL A 65 59.045 -12.593 16.226 1.00 0.00 O ATOM 1006 CB VAL A 65 60.109 -11.045 13.771 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.453 -12.369 13.367 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.099 -9.908 13.627 1.00 0.00 C ATOM 0 H VAL A 65 61.556 -12.872 14.691 1.00 0.00 H new ATOM 0 HA VAL A 65 60.993 -10.131 15.511 1.00 0.00 H new ATOM 0 HB VAL A 65 60.965 -10.872 13.119 1.00 0.00 H new ATOM 0 HG11 VAL A 65 59.118 -12.308 12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 65 60.176 -13.179 13.468 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.598 -12.564 14.014 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.750 -9.860 12.595 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.252 -10.088 14.288 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.574 -8.964 13.894 1.00 0.00 H new ATOM 1018 N GLU A 66 58.858 -10.430 16.766 1.00 0.00 N ATOM 1019 CA GLU A 66 57.710 -10.682 17.613 1.00 0.00 C ATOM 1020 C GLU A 66 56.720 -9.527 17.531 1.00 0.00 C ATOM 1021 O GLU A 66 57.031 -8.417 17.950 1.00 0.00 O ATOM 1022 CB GLU A 66 58.119 -10.885 19.069 1.00 0.00 C ATOM 1023 CG GLU A 66 56.856 -10.900 19.935 1.00 0.00 C ATOM 1024 CD GLU A 66 57.162 -11.508 21.300 1.00 0.00 C ATOM 1025 OE1 GLU A 66 57.784 -12.557 21.333 1.00 0.00 O ATOM 1026 OE2 GLU A 66 56.771 -10.916 22.292 1.00 0.00 O ATOM 0 H GLU A 66 59.161 -9.457 16.718 1.00 0.00 H new ATOM 0 HA GLU A 66 57.240 -11.597 17.252 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.665 -11.821 19.181 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.787 -10.086 19.389 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.478 -9.885 20.057 1.00 0.00 H new ATOM 0 HG3 GLU A 66 56.073 -11.475 19.440 1.00 0.00 H new ATOM 1033 N ALA A 67 55.519 -9.789 17.017 1.00 0.00 N ATOM 1034 CA ALA A 67 54.509 -8.739 16.927 1.00 0.00 C ATOM 1035 C ALA A 67 53.317 -9.093 17.799 1.00 0.00 C ATOM 1036 O ALA A 67 53.067 -10.267 18.068 1.00 0.00 O ATOM 1037 CB ALA A 67 54.087 -8.528 15.473 1.00 0.00 C ATOM 0 H ALA A 67 55.227 -10.700 16.664 1.00 0.00 H new ATOM 0 HA ALA A 67 54.933 -7.803 17.290 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.334 -7.742 15.423 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.955 -8.237 14.881 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.671 -9.454 15.077 1.00 0.00 H new ATOM 1043 N THR A 68 52.606 -8.075 18.283 1.00 0.00 N ATOM 1044 CA THR A 68 51.477 -8.326 19.162 1.00 0.00 C ATOM 1045 C THR A 68 50.409 -7.234 19.067 1.00 0.00 C ATOM 1046 O THR A 68 50.562 -6.150 19.630 1.00 0.00 O ATOM 1047 CB THR A 68 51.979 -8.390 20.602 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.993 -9.378 20.708 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.818 -8.736 21.526 1.00 0.00 C ATOM 0 H THR A 68 52.790 -7.092 18.084 1.00 0.00 H new ATOM 0 HA THR A 68 51.022 -9.267 18.854 1.00 0.00 H new ATOM 0 HB THR A 68 52.392 -7.423 20.890 1.00 0.00 H new ATOM 0 HG1 THR A 68 53.316 -9.417 21.632 1.00 0.00 H new ATOM 0 HG21 THR A 68 51.174 -8.782 22.555 1.00 0.00 H new ATOM 0 HG22 THR A 68 50.046 -7.971 21.443 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.402 -9.703 21.242 1.00 0.00 H new ATOM 1057 N GLY A 69 49.320 -7.544 18.377 1.00 0.00 N ATOM 1058 CA GLY A 69 48.208 -6.608 18.233 1.00 0.00 C ATOM 1059 C GLY A 69 47.246 -7.067 17.141 1.00 0.00 C ATOM 1060 O GLY A 69 47.497 -8.044 16.446 1.00 0.00 O ATOM 0 H GLY A 69 49.181 -8.438 17.906 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.675 -6.522 19.180 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.591 -5.616 17.992 1.00 0.00 H new ATOM 1064 N PRO A 70 46.152 -6.388 16.978 1.00 0.00 N ATOM 1065 CA PRO A 70 45.139 -6.738 15.949 1.00 0.00 C ATOM 1066 C PRO A 70 45.746 -7.257 14.650 1.00 0.00 C ATOM 1067 O PRO A 70 45.343 -8.305 14.145 1.00 0.00 O ATOM 1068 CB PRO A 70 44.430 -5.412 15.728 1.00 0.00 C ATOM 1069 CG PRO A 70 44.430 -4.774 17.078 1.00 0.00 C ATOM 1070 CD PRO A 70 45.741 -5.203 17.752 1.00 0.00 C ATOM 0 HA PRO A 70 44.489 -7.551 16.272 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.953 -4.797 14.996 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.416 -5.558 15.356 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.371 -3.689 16.996 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.568 -5.097 17.662 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.492 -4.414 17.708 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.592 -5.443 18.805 1.00 0.00 H new ATOM 1078 N GLN A 71 46.689 -6.504 14.097 1.00 0.00 N ATOM 1079 CA GLN A 71 47.313 -6.896 12.824 1.00 0.00 C ATOM 1080 C GLN A 71 48.828 -7.123 12.947 1.00 0.00 C ATOM 1081 O GLN A 71 49.594 -6.723 12.072 1.00 0.00 O ATOM 1082 CB GLN A 71 47.034 -5.818 11.771 1.00 0.00 C ATOM 1083 CG GLN A 71 45.608 -5.974 11.234 1.00 0.00 C ATOM 1084 CD GLN A 71 44.599 -5.604 12.316 1.00 0.00 C ATOM 1085 OE1 GLN A 71 43.880 -6.469 12.817 1.00 0.00 O ATOM 1086 NE2 GLN A 71 44.502 -4.364 12.708 1.00 0.00 N ATOM 0 H GLN A 71 47.039 -5.633 14.495 1.00 0.00 H new ATOM 0 HA GLN A 71 46.874 -7.848 12.525 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.161 -4.828 12.208 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.751 -5.900 10.954 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.468 -5.336 10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 71 45.444 -7.001 10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.099 -3.649 12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 71 43.829 -4.109 13.431 1.00 0.00 H new ATOM 1095 N GLU A 72 49.251 -7.784 14.018 1.00 0.00 N ATOM 1096 CA GLU A 72 50.670 -8.075 14.226 1.00 0.00 C ATOM 1097 C GLU A 72 51.214 -8.963 13.128 1.00 0.00 C ATOM 1098 O GLU A 72 52.348 -8.794 12.686 1.00 0.00 O ATOM 1099 CB GLU A 72 50.859 -8.768 15.585 1.00 0.00 C ATOM 1100 CG GLU A 72 49.599 -9.550 15.935 1.00 0.00 C ATOM 1101 CD GLU A 72 49.907 -10.624 16.968 1.00 0.00 C ATOM 1102 OE1 GLU A 72 51.074 -10.872 17.201 1.00 0.00 O ATOM 1103 OE2 GLU A 72 48.969 -11.181 17.513 1.00 0.00 O ATOM 0 H GLU A 72 48.636 -8.129 14.755 1.00 0.00 H new ATOM 0 HA GLU A 72 51.217 -7.133 14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.717 -9.439 15.547 1.00 0.00 H new ATOM 0 HB3 GLU A 72 51.067 -8.027 16.357 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.839 -8.872 16.323 1.00 0.00 H new ATOM 0 HG3 GLU A 72 49.188 -10.009 15.036 1.00 0.00 H new ATOM 1110 N GLU A 73 50.410 -9.906 12.694 1.00 0.00 N ATOM 1111 CA GLU A 73 50.842 -10.813 11.651 1.00 0.00 C ATOM 1112 C GLU A 73 51.195 -10.031 10.395 1.00 0.00 C ATOM 1113 O GLU A 73 52.335 -10.050 9.949 1.00 0.00 O ATOM 1114 CB GLU A 73 49.739 -11.831 11.343 1.00 0.00 C ATOM 1115 CG GLU A 73 49.489 -12.712 12.579 1.00 0.00 C ATOM 1116 CD GLU A 73 49.427 -14.186 12.181 1.00 0.00 C ATOM 1117 OE1 GLU A 73 49.738 -15.019 13.017 1.00 0.00 O ATOM 1118 OE2 GLU A 73 49.063 -14.461 11.049 1.00 0.00 O ATOM 0 H GLU A 73 49.464 -10.066 13.041 1.00 0.00 H new ATOM 0 HA GLU A 73 51.726 -11.349 11.996 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.822 -11.314 11.061 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.029 -12.451 10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 73 50.284 -12.559 13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.555 -12.419 13.059 1.00 0.00 H new ATOM 1125 N GLU A 74 50.216 -9.325 9.841 1.00 0.00 N ATOM 1126 CA GLU A 74 50.449 -8.532 8.638 1.00 0.00 C ATOM 1127 C GLU A 74 51.713 -7.696 8.795 1.00 0.00 C ATOM 1128 O GLU A 74 52.504 -7.548 7.865 1.00 0.00 O ATOM 1129 CB GLU A 74 49.259 -7.599 8.396 1.00 0.00 C ATOM 1130 CG GLU A 74 47.967 -8.283 8.844 1.00 0.00 C ATOM 1131 CD GLU A 74 46.759 -7.606 8.201 1.00 0.00 C ATOM 1132 OE1 GLU A 74 45.670 -7.762 8.726 1.00 0.00 O ATOM 1133 OE2 GLU A 74 46.941 -6.944 7.192 1.00 0.00 O ATOM 0 H GLU A 74 49.262 -9.285 10.200 1.00 0.00 H new ATOM 0 HA GLU A 74 50.567 -9.208 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.398 -6.668 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 74 49.197 -7.340 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 74 47.991 -9.337 8.568 1.00 0.00 H new ATOM 0 HG3 GLU A 74 47.882 -8.239 9.930 1.00 0.00 H new ATOM 1140 N ALA A 75 51.869 -7.143 9.985 1.00 0.00 N ATOM 1141 CA ALA A 75 53.014 -6.296 10.300 1.00 0.00 C ATOM 1142 C ALA A 75 54.301 -7.097 10.314 1.00 0.00 C ATOM 1143 O ALA A 75 55.199 -6.833 9.528 1.00 0.00 O ATOM 1144 CB ALA A 75 52.785 -5.632 11.671 1.00 0.00 C ATOM 0 H ALA A 75 51.213 -7.265 10.757 1.00 0.00 H new ATOM 0 HA ALA A 75 53.110 -5.531 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.637 -4.997 11.914 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.879 -5.027 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.677 -6.402 12.435 1.00 0.00 H new ATOM 1150 N LEU A 76 54.368 -8.083 11.186 1.00 0.00 N ATOM 1151 CA LEU A 76 55.537 -8.938 11.290 1.00 0.00 C ATOM 1152 C LEU A 76 55.690 -9.756 10.011 1.00 0.00 C ATOM 1153 O LEU A 76 56.798 -10.037 9.563 1.00 0.00 O ATOM 1154 CB LEU A 76 55.338 -9.838 12.515 1.00 0.00 C ATOM 1155 CG LEU A 76 55.876 -11.255 12.283 1.00 0.00 C ATOM 1156 CD1 LEU A 76 56.031 -11.947 13.641 1.00 0.00 C ATOM 1157 CD2 LEU A 76 54.898 -12.064 11.408 1.00 0.00 C ATOM 0 H LEU A 76 53.620 -8.315 11.839 1.00 0.00 H new ATOM 0 HA LEU A 76 56.449 -8.354 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.841 -9.396 13.375 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.277 -9.889 12.758 1.00 0.00 H new ATOM 0 HG LEU A 76 56.837 -11.198 11.772 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.413 -12.957 13.493 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.728 -11.382 14.260 1.00 0.00 H new ATOM 0 HD13 LEU A 76 55.062 -11.995 14.138 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.294 -13.068 11.252 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.931 -12.129 11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 76 54.776 -11.568 10.445 1.00 0.00 H new ATOM 1169 N ALA A 77 54.557 -10.119 9.432 1.00 0.00 N ATOM 1170 CA ALA A 77 54.533 -10.899 8.200 1.00 0.00 C ATOM 1171 C ALA A 77 54.947 -10.040 7.009 1.00 0.00 C ATOM 1172 O ALA A 77 55.407 -10.554 5.988 1.00 0.00 O ATOM 1173 CB ALA A 77 53.113 -11.417 7.970 1.00 0.00 C ATOM 0 H ALA A 77 53.634 -9.885 9.797 1.00 0.00 H new ATOM 0 HA ALA A 77 55.234 -11.729 8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.084 -12.002 7.051 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.814 -12.045 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.427 -10.574 7.886 1.00 0.00 H new ATOM 1179 N ALA A 78 54.782 -8.730 7.151 1.00 0.00 N ATOM 1180 CA ALA A 78 55.139 -7.805 6.083 1.00 0.00 C ATOM 1181 C ALA A 78 56.640 -7.555 6.107 1.00 0.00 C ATOM 1182 O ALA A 78 57.284 -7.424 5.063 1.00 0.00 O ATOM 1183 CB ALA A 78 54.374 -6.486 6.252 1.00 0.00 C ATOM 0 H ALA A 78 54.406 -8.287 7.989 1.00 0.00 H new ATOM 0 HA ALA A 78 54.867 -8.241 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.648 -5.801 5.449 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.302 -6.680 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.628 -6.038 7.213 1.00 0.00 H new ATOM 1189 N VAL A 79 57.197 -7.530 7.310 1.00 0.00 N ATOM 1190 CA VAL A 79 58.625 -7.334 7.469 1.00 0.00 C ATOM 1191 C VAL A 79 59.330 -8.596 7.027 1.00 0.00 C ATOM 1192 O VAL A 79 60.314 -8.557 6.306 1.00 0.00 O ATOM 1193 CB VAL A 79 58.959 -7.051 8.941 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.685 -6.709 9.690 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.586 -8.291 9.576 1.00 0.00 C ATOM 0 H VAL A 79 56.682 -7.643 8.183 1.00 0.00 H new ATOM 0 HA VAL A 79 58.950 -6.485 6.868 1.00 0.00 H new ATOM 0 HB VAL A 79 59.659 -6.217 8.994 1.00 0.00 H new ATOM 0 HG11 VAL A 79 57.920 -6.508 10.735 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.227 -5.826 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 79 56.991 -7.547 9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.821 -8.086 10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.884 -9.123 9.519 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.500 -8.550 9.042 1.00 0.00 H new ATOM 1205 N ILE A 80 58.802 -9.719 7.488 1.00 0.00 N ATOM 1206 CA ILE A 80 59.358 -11.007 7.162 1.00 0.00 C ATOM 1207 C ILE A 80 59.577 -11.093 5.686 1.00 0.00 C ATOM 1208 O ILE A 80 60.704 -11.227 5.228 1.00 0.00 O ATOM 1209 CB ILE A 80 58.407 -12.075 7.666 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.588 -12.130 9.189 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.712 -13.431 7.008 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.322 -13.398 9.598 1.00 0.00 C ATOM 0 H ILE A 80 57.982 -9.756 8.094 1.00 0.00 H new ATOM 0 HA ILE A 80 60.326 -11.155 7.641 1.00 0.00 H new ATOM 0 HB ILE A 80 57.373 -11.841 7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.146 -11.256 9.526 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.614 -12.094 9.677 1.00 0.00 H new ATOM 0 HG21 ILE A 80 58.018 -14.182 7.384 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.602 -13.344 5.927 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.733 -13.729 7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.440 -13.417 10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.749 -14.269 9.280 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.304 -13.418 9.126 1.00 0.00 H new ATOM 1224 N ALA A 81 58.514 -10.950 4.934 1.00 0.00 N ATOM 1225 CA ALA A 81 58.666 -10.956 3.502 1.00 0.00 C ATOM 1226 C ALA A 81 59.787 -10.001 3.162 1.00 0.00 C ATOM 1227 O ALA A 81 60.435 -10.120 2.122 1.00 0.00 O ATOM 1228 CB ALA A 81 57.393 -10.490 2.827 1.00 0.00 C ATOM 0 H ALA A 81 57.561 -10.831 5.277 1.00 0.00 H new ATOM 0 HA ALA A 81 58.885 -11.966 3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.529 -10.502 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.573 -11.156 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.159 -9.476 3.152 1.00 0.00 H new ATOM 1234 N LEU A 82 60.031 -9.061 4.079 1.00 0.00 N ATOM 1235 CA LEU A 82 61.099 -8.108 3.891 1.00 0.00 C ATOM 1236 C LEU A 82 62.360 -8.655 4.535 1.00 0.00 C ATOM 1237 O LEU A 82 63.450 -8.566 3.970 1.00 0.00 O ATOM 1238 CB LEU A 82 60.712 -6.758 4.498 1.00 0.00 C ATOM 1239 CG LEU A 82 61.165 -5.634 3.567 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.683 -5.726 3.364 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.445 -5.761 2.212 1.00 0.00 C ATOM 0 H LEU A 82 59.504 -8.949 4.945 1.00 0.00 H new ATOM 0 HA LEU A 82 61.280 -7.954 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.633 -6.710 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.174 -6.642 5.478 1.00 0.00 H new ATOM 0 HG LEU A 82 60.917 -4.669 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.010 -4.926 2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.185 -5.628 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 82 62.933 -6.690 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 82 60.770 -4.958 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.686 -6.723 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.368 -5.692 2.364 1.00 0.00 H new ATOM 1253 N PHE A 83 62.196 -9.257 5.710 1.00 0.00 N ATOM 1254 CA PHE A 83 63.322 -9.848 6.393 1.00 0.00 C ATOM 1255 C PHE A 83 63.799 -11.021 5.564 1.00 0.00 C ATOM 1256 O PHE A 83 64.994 -11.304 5.469 1.00 0.00 O ATOM 1257 CB PHE A 83 62.938 -10.310 7.792 1.00 0.00 C ATOM 1258 CG PHE A 83 62.951 -9.153 8.761 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.767 -7.830 8.320 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.160 -9.412 10.116 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.797 -6.784 9.242 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.187 -8.366 11.033 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.007 -7.054 10.598 1.00 0.00 C ATOM 0 H PHE A 83 61.304 -9.343 6.196 1.00 0.00 H new ATOM 0 HA PHE A 83 64.115 -9.108 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.946 -10.762 7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.632 -11.080 8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.603 -7.625 7.272 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.301 -10.428 10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.658 -5.766 8.909 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.347 -8.570 12.081 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.030 -6.243 11.311 1.00 0.00 H new ATOM 1273 N ASN A 84 62.833 -11.666 4.929 1.00 0.00 N ATOM 1274 CA ASN A 84 63.101 -12.780 4.053 1.00 0.00 C ATOM 1275 C ASN A 84 63.533 -12.217 2.724 1.00 0.00 C ATOM 1276 O ASN A 84 64.103 -12.899 1.872 1.00 0.00 O ATOM 1277 CB ASN A 84 61.821 -13.601 3.885 1.00 0.00 C ATOM 1278 CG ASN A 84 62.110 -15.092 4.014 1.00 0.00 C ATOM 1279 OD1 ASN A 84 63.042 -15.604 3.392 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.359 -15.821 4.793 1.00 0.00 N ATOM 0 H ASN A 84 61.845 -11.427 5.011 1.00 0.00 H new ATOM 0 HA ASN A 84 63.880 -13.425 4.460 1.00 0.00 H new ATOM 0 HB2 ASN A 84 61.091 -13.302 4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.378 -13.395 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.542 -16.820 4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.589 -15.392 5.306 1.00 0.00 H new ATOM 1287 N SER A 85 63.240 -10.945 2.587 1.00 0.00 N ATOM 1288 CA SER A 85 63.570 -10.198 1.378 1.00 0.00 C ATOM 1289 C SER A 85 63.336 -11.052 0.135 1.00 0.00 C ATOM 1290 O SER A 85 64.288 -11.652 -0.335 1.00 0.00 O ATOM 1291 CB SER A 85 65.032 -9.752 1.424 1.00 0.00 C ATOM 1292 OG SER A 85 65.472 -9.450 0.106 1.00 0.00 O ATOM 1293 OXT SER A 85 62.208 -11.093 -0.327 1.00 0.00 O ATOM 0 H SER A 85 62.768 -10.393 3.303 1.00 0.00 H new ATOM 0 HA SER A 85 62.923 -9.322 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.137 -8.876 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.651 -10.539 1.855 1.00 0.00 H new ATOM 0 HG SER A 85 65.448 -10.263 -0.441 1.00 0.00 H new