USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 48 SER OG : rot -10:sc= 1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 10 THR OG1 : rot -130:sc= -0.419 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.663 USER MOD Single : A 16 ASN : amide:sc= -0.0736 K(o=-0.074,f=-1.9!) USER MOD Single : A 20 ASN : amide:sc= 0.00203 K(o=0.002,f=-0.65) USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= -0.512 (180deg=-1.67!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -42:sc= 0.216 USER MOD Single : A 28 ASN : amide:sc= -0.391 K(o=-0.39,f=-3!) USER MOD Single : A 34 SER OG : rot -66:sc= 1.19 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 84:sc= -1.1! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 17:sc= 0.482 USER MOD Single : A 47 CYS SG : rot 60:sc= 0.104 USER MOD Single : A 55 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.3!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.4 K(o=-1.4,f=-5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -110:sc= -0.424 (180deg=-2.57!) USER MOD Single : A 68 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.93) USER MOD Single : A 74 ASN : amide:sc= 0.871 K(o=0.87,f=-0.47) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc=-0.000688 X(o=-0.00069,f=0) USER MOD Single : A 88 CYS SG : rot 180:sc= -0.254 USER MOD Single : A 90 THR OG1 : rot 36:sc= 1 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.791 21.953 15.433 1.00 0.00 N ATOM 2 CA GLY A 1 -2.849 21.187 16.227 1.00 0.00 C ATOM 3 C GLY A 1 -1.511 21.018 15.535 1.00 0.00 C ATOM 4 O GLY A 1 -1.453 20.641 14.365 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.690 22.041 15.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.402 22.900 15.252 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.957 21.468 14.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.699 21.683 17.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.272 20.205 16.439 1.00 0.00 H new ATOM 8 N SER A 2 -0.432 21.298 16.260 1.00 0.00 N ATOM 9 CA SER A 2 0.912 21.180 15.707 1.00 0.00 C ATOM 10 C SER A 2 1.081 19.856 14.967 1.00 0.00 C ATOM 11 O SER A 2 0.241 18.962 15.071 1.00 0.00 O ATOM 12 CB SER A 2 1.956 21.292 16.819 1.00 0.00 C ATOM 13 OG SER A 2 1.965 22.593 17.381 1.00 0.00 O ATOM 0 H SER A 2 -0.463 21.608 17.231 1.00 0.00 H new ATOM 0 HA SER A 2 1.059 21.994 14.998 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.744 20.558 17.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.943 21.058 16.420 1.00 0.00 H new ATOM 0 HG SER A 2 2.640 22.638 18.091 1.00 0.00 H new ATOM 19 N SER A 3 2.173 19.739 14.218 1.00 0.00 N ATOM 20 CA SER A 3 2.451 18.526 13.457 1.00 0.00 C ATOM 21 C SER A 3 3.859 18.565 12.871 1.00 0.00 C ATOM 22 O SER A 3 4.311 19.598 12.378 1.00 0.00 O ATOM 23 CB SER A 3 1.424 18.356 12.336 1.00 0.00 C ATOM 24 OG SER A 3 1.594 19.342 11.334 1.00 0.00 O ATOM 0 H SER A 3 2.879 20.469 14.122 1.00 0.00 H new ATOM 0 HA SER A 3 2.381 17.676 14.135 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.524 17.364 11.895 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.417 18.422 12.748 1.00 0.00 H new ATOM 0 HG SER A 3 0.927 19.210 10.629 1.00 0.00 H new ATOM 30 N GLY A 4 4.548 17.429 12.927 1.00 0.00 N ATOM 31 CA GLY A 4 5.898 17.353 12.399 1.00 0.00 C ATOM 32 C GLY A 4 5.931 16.869 10.962 1.00 0.00 C ATOM 33 O GLY A 4 6.037 15.670 10.707 1.00 0.00 O ATOM 0 H GLY A 4 4.195 16.560 13.329 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.364 18.336 12.459 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.491 16.681 13.020 1.00 0.00 H new ATOM 37 N SER A 5 5.840 17.804 10.022 1.00 0.00 N ATOM 38 CA SER A 5 5.855 17.466 8.604 1.00 0.00 C ATOM 39 C SER A 5 7.175 17.880 7.961 1.00 0.00 C ATOM 40 O SER A 5 7.434 19.065 7.755 1.00 0.00 O ATOM 41 CB SER A 5 4.689 18.147 7.884 1.00 0.00 C ATOM 42 OG SER A 5 4.345 17.449 6.699 1.00 0.00 O ATOM 0 H SER A 5 5.755 18.802 10.217 1.00 0.00 H new ATOM 0 HA SER A 5 5.749 16.385 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.825 18.193 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.958 19.175 7.640 1.00 0.00 H new ATOM 0 HG SER A 5 3.597 17.902 6.258 1.00 0.00 H new ATOM 48 N SER A 6 8.007 16.892 7.646 1.00 0.00 N ATOM 49 CA SER A 6 9.303 17.152 7.030 1.00 0.00 C ATOM 50 C SER A 6 9.495 16.291 5.785 1.00 0.00 C ATOM 51 O SER A 6 8.876 15.237 5.644 1.00 0.00 O ATOM 52 CB SER A 6 10.430 16.882 8.029 1.00 0.00 C ATOM 53 OG SER A 6 10.393 17.807 9.102 1.00 0.00 O ATOM 0 H SER A 6 7.807 15.905 7.807 1.00 0.00 H new ATOM 0 HA SER A 6 9.333 18.201 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.341 15.867 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.393 16.947 7.522 1.00 0.00 H new ATOM 0 HG SER A 6 11.122 17.612 9.727 1.00 0.00 H new ATOM 59 N GLY A 7 10.359 16.749 4.884 1.00 0.00 N ATOM 60 CA GLY A 7 10.618 16.010 3.662 1.00 0.00 C ATOM 61 C GLY A 7 9.600 16.306 2.578 1.00 0.00 C ATOM 62 O GLY A 7 8.481 16.731 2.868 1.00 0.00 O ATOM 0 H GLY A 7 10.884 17.618 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.615 16.256 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.613 14.942 3.879 1.00 0.00 H new ATOM 66 N CYS A 8 9.989 16.085 1.328 1.00 0.00 N ATOM 67 CA CYS A 8 9.103 16.334 0.196 1.00 0.00 C ATOM 68 C CYS A 8 8.045 15.241 0.083 1.00 0.00 C ATOM 69 O CYS A 8 6.850 15.527 -0.009 1.00 0.00 O ATOM 70 CB CYS A 8 9.909 16.415 -1.101 1.00 0.00 C ATOM 71 SG CYS A 8 10.936 17.897 -1.240 1.00 0.00 S ATOM 0 H CYS A 8 10.912 15.734 1.072 1.00 0.00 H new ATOM 0 HA CYS A 8 8.600 17.286 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.548 15.535 -1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.222 16.382 -1.946 1.00 0.00 H new ATOM 0 HG CYS A 8 11.581 17.874 -2.369 1.00 0.00 H new ATOM 77 N HIS A 9 8.491 13.989 0.090 1.00 0.00 N ATOM 78 CA HIS A 9 7.582 12.853 -0.012 1.00 0.00 C ATOM 79 C HIS A 9 6.727 12.726 1.245 1.00 0.00 C ATOM 80 O HIS A 9 7.106 13.199 2.318 1.00 0.00 O ATOM 81 CB HIS A 9 8.369 11.562 -0.240 1.00 0.00 C ATOM 82 CG HIS A 9 8.585 11.240 -1.687 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.626 11.760 -2.426 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.887 10.444 -2.530 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.558 11.299 -3.662 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.512 10.498 -3.752 1.00 0.00 N ATOM 0 H HIS A 9 9.476 13.735 0.165 1.00 0.00 H new ATOM 0 HA HIS A 9 6.922 13.023 -0.863 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.337 11.644 0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.839 10.735 0.233 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.003 9.873 -2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.242 11.537 -4.463 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.216 10.001 -4.592 1.00 0.00 H new ATOM 94 N THR A 10 5.570 12.086 1.107 1.00 0.00 N ATOM 95 CA THR A 10 4.661 11.899 2.230 1.00 0.00 C ATOM 96 C THR A 10 4.349 10.422 2.445 1.00 0.00 C ATOM 97 O THR A 10 3.674 9.794 1.628 1.00 0.00 O ATOM 98 CB THR A 10 3.341 12.665 2.018 1.00 0.00 C ATOM 99 OG1 THR A 10 3.605 14.066 1.885 1.00 0.00 O ATOM 100 CG2 THR A 10 2.388 12.431 3.180 1.00 0.00 C ATOM 0 H THR A 10 5.241 11.688 0.227 1.00 0.00 H new ATOM 0 HA THR A 10 5.164 12.294 3.113 1.00 0.00 H new ATOM 0 HB THR A 10 2.873 12.295 1.105 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.017 14.568 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.463 12.982 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.167 11.367 3.261 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.850 12.777 4.105 1.00 0.00 H new ATOM 108 N LEU A 11 4.843 9.872 3.549 1.00 0.00 N ATOM 109 CA LEU A 11 4.616 8.468 3.872 1.00 0.00 C ATOM 110 C LEU A 11 3.371 8.302 4.736 1.00 0.00 C ATOM 111 O LEU A 11 3.076 9.143 5.587 1.00 0.00 O ATOM 112 CB LEU A 11 5.833 7.888 4.594 1.00 0.00 C ATOM 113 CG LEU A 11 7.141 7.875 3.802 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.329 8.077 4.730 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.283 6.572 3.028 1.00 0.00 C ATOM 0 H LEU A 11 5.403 10.377 4.235 1.00 0.00 H new ATOM 0 HA LEU A 11 4.462 7.926 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.992 8.457 5.510 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.601 6.865 4.890 1.00 0.00 H new ATOM 0 HG LEU A 11 7.119 8.698 3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.251 8.065 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.234 9.036 5.239 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.355 7.275 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.219 6.580 2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.283 5.733 3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.449 6.468 2.334 1.00 0.00 H new ATOM 127 N LEU A 12 2.644 7.213 4.515 1.00 0.00 N ATOM 128 CA LEU A 12 1.431 6.935 5.275 1.00 0.00 C ATOM 129 C LEU A 12 1.629 5.738 6.200 1.00 0.00 C ATOM 130 O LEU A 12 2.472 4.877 5.945 1.00 0.00 O ATOM 131 CB LEU A 12 0.260 6.672 4.327 1.00 0.00 C ATOM 132 CG LEU A 12 -0.354 7.905 3.661 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.633 7.534 2.927 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.626 8.989 4.694 1.00 0.00 C ATOM 0 H LEU A 12 2.874 6.507 3.815 1.00 0.00 H new ATOM 0 HA LEU A 12 1.207 7.810 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.597 5.991 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.523 6.156 4.883 1.00 0.00 H new ATOM 0 HG LEU A 12 0.359 8.294 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.055 8.424 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.410 6.792 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.351 7.120 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.063 9.859 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.319 8.610 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.309 9.276 5.175 1.00 0.00 H new ATOM 146 N TYR A 13 0.847 5.689 7.272 1.00 0.00 N ATOM 147 CA TYR A 13 0.937 4.597 8.234 1.00 0.00 C ATOM 148 C TYR A 13 -0.413 3.906 8.401 1.00 0.00 C ATOM 149 O TYR A 13 -1.360 4.486 8.931 1.00 0.00 O ATOM 150 CB TYR A 13 1.425 5.120 9.586 1.00 0.00 C ATOM 151 CG TYR A 13 2.779 5.792 9.523 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.723 5.408 8.579 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.112 6.811 10.406 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.961 6.018 8.518 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.347 7.428 10.351 1.00 0.00 C ATOM 156 CZ TYR A 13 5.268 7.028 9.406 1.00 0.00 C ATOM 157 OH TYR A 13 6.499 7.639 9.348 1.00 0.00 O ATOM 0 H TYR A 13 0.144 6.393 7.497 1.00 0.00 H new ATOM 0 HA TYR A 13 1.653 3.869 7.853 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.695 5.829 9.977 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.473 4.290 10.291 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.485 4.619 7.881 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.394 7.126 11.148 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.684 5.706 7.779 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.590 8.219 11.045 1.00 0.00 H new ATOM 0 HH TYR A 13 6.554 8.330 10.041 1.00 0.00 H new ATOM 167 N VAL A 14 -0.492 2.659 7.946 1.00 0.00 N ATOM 168 CA VAL A 14 -1.724 1.886 8.045 1.00 0.00 C ATOM 169 C VAL A 14 -1.693 0.956 9.253 1.00 0.00 C ATOM 170 O VAL A 14 -0.635 0.460 9.641 1.00 0.00 O ATOM 171 CB VAL A 14 -1.966 1.050 6.774 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.340 0.398 6.818 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.817 1.915 5.532 1.00 0.00 C ATOM 0 H VAL A 14 0.283 2.163 7.505 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.538 2.601 8.161 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.216 0.260 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.494 -0.188 5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.405 -0.255 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.107 1.170 6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.991 1.309 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.543 2.727 5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.810 2.330 5.496 1.00 0.00 H new ATOM 183 N TYR A 15 -2.860 0.725 9.844 1.00 0.00 N ATOM 184 CA TYR A 15 -2.967 -0.144 11.011 1.00 0.00 C ATOM 185 C TYR A 15 -4.225 -1.004 10.935 1.00 0.00 C ATOM 186 O TYR A 15 -5.077 -0.802 10.072 1.00 0.00 O ATOM 187 CB TYR A 15 -2.981 0.689 12.294 1.00 0.00 C ATOM 188 CG TYR A 15 -1.846 1.684 12.382 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.961 2.951 11.823 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.660 1.358 13.027 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.927 3.863 11.901 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.380 2.264 13.111 1.00 0.00 C ATOM 193 CZ TYR A 15 0.242 3.515 12.546 1.00 0.00 C ATOM 194 OH TYR A 15 1.274 4.421 12.628 1.00 0.00 O ATOM 0 H TYR A 15 -3.745 1.127 9.535 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.099 -0.803 11.024 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.928 1.224 12.359 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.933 0.019 13.153 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.875 3.227 11.319 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.549 0.380 13.471 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.033 4.843 11.460 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.296 1.994 13.616 1.00 0.00 H new ATOM 0 HH TYR A 15 2.024 4.019 13.114 1.00 0.00 H new ATOM 204 N ASN A 16 -4.331 -1.965 11.847 1.00 0.00 N ATOM 205 CA ASN A 16 -5.484 -2.858 11.885 1.00 0.00 C ATOM 206 C ASN A 16 -5.575 -3.685 10.607 1.00 0.00 C ATOM 207 O ASN A 16 -6.620 -3.731 9.956 1.00 0.00 O ATOM 208 CB ASN A 16 -6.772 -2.054 12.078 1.00 0.00 C ATOM 209 CG ASN A 16 -7.839 -2.839 12.816 1.00 0.00 C ATOM 210 OD1 ASN A 16 -7.620 -3.983 13.213 1.00 0.00 O ATOM 211 ND2 ASN A 16 -9.002 -2.225 13.003 1.00 0.00 N ATOM 0 H ASN A 16 -3.633 -2.145 12.569 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.357 -3.538 12.728 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.548 -1.142 12.631 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.157 -1.750 11.104 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.758 -2.703 13.493 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.139 -1.276 12.656 1.00 0.00 H new ATOM 218 N LEU A 17 -4.473 -4.337 10.252 1.00 0.00 N ATOM 219 CA LEU A 17 -4.427 -5.164 9.051 1.00 0.00 C ATOM 220 C LEU A 17 -4.813 -6.606 9.367 1.00 0.00 C ATOM 221 O LEU A 17 -4.615 -7.098 10.478 1.00 0.00 O ATOM 222 CB LEU A 17 -3.029 -5.123 8.433 1.00 0.00 C ATOM 223 CG LEU A 17 -2.636 -3.813 7.748 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.123 -3.669 7.700 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.225 -3.747 6.346 1.00 0.00 C ATOM 0 H LEU A 17 -3.600 -4.309 10.778 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.146 -4.763 8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.301 -5.333 9.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.953 -5.929 7.703 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.041 -2.985 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.862 -2.731 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.725 -3.671 8.715 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.696 -4.502 7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.935 -2.808 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.850 -4.582 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.312 -3.803 6.405 1.00 0.00 H new ATOM 237 N PRO A 18 -5.376 -7.301 8.368 1.00 0.00 N ATOM 238 CA PRO A 18 -5.799 -8.696 8.514 1.00 0.00 C ATOM 239 C PRO A 18 -4.617 -9.650 8.642 1.00 0.00 C ATOM 240 O PRO A 18 -4.156 -10.219 7.653 1.00 0.00 O ATOM 241 CB PRO A 18 -6.570 -8.971 7.221 1.00 0.00 C ATOM 242 CG PRO A 18 -6.009 -8.007 6.233 1.00 0.00 C ATOM 243 CD PRO A 18 -5.643 -6.777 7.017 1.00 0.00 C ATOM 0 HA PRO A 18 -6.388 -8.850 9.418 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.434 -10.001 6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.641 -8.819 7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.136 -8.425 5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.739 -7.773 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.768 -6.279 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.453 -6.047 7.022 1.00 0.00 H new ATOM 251 N ALA A 19 -4.130 -9.821 9.867 1.00 0.00 N ATOM 252 CA ALA A 19 -3.002 -10.708 10.124 1.00 0.00 C ATOM 253 C ALA A 19 -3.201 -12.059 9.446 1.00 0.00 C ATOM 254 O ALA A 19 -2.301 -12.567 8.778 1.00 0.00 O ATOM 255 CB ALA A 19 -2.805 -10.891 11.622 1.00 0.00 C ATOM 0 H ALA A 19 -4.499 -9.357 10.697 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.107 -10.248 9.704 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.959 -11.556 11.799 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.609 -9.923 12.084 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.705 -11.325 12.057 1.00 0.00 H new ATOM 261 N ASN A 20 -4.385 -12.636 9.622 1.00 0.00 N ATOM 262 CA ASN A 20 -4.701 -13.930 9.028 1.00 0.00 C ATOM 263 C ASN A 20 -4.397 -13.930 7.533 1.00 0.00 C ATOM 264 O ASN A 20 -3.804 -14.873 7.008 1.00 0.00 O ATOM 265 CB ASN A 20 -6.173 -14.276 9.261 1.00 0.00 C ATOM 266 CG ASN A 20 -6.495 -14.470 10.730 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.647 -13.503 11.476 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.601 -15.725 11.152 1.00 0.00 N ATOM 0 H ASN A 20 -5.142 -12.228 10.171 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.078 -14.685 9.508 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.799 -13.481 8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.421 -15.186 8.714 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.817 -15.918 12.130 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.467 -16.496 10.498 1.00 0.00 H new ATOM 275 N LYS A 21 -4.808 -12.866 6.851 1.00 0.00 N ATOM 276 CA LYS A 21 -4.580 -12.741 5.417 1.00 0.00 C ATOM 277 C LYS A 21 -3.088 -12.676 5.107 1.00 0.00 C ATOM 278 O LYS A 21 -2.448 -11.642 5.302 1.00 0.00 O ATOM 279 CB LYS A 21 -5.278 -11.491 4.875 1.00 0.00 C ATOM 280 CG LYS A 21 -6.791 -11.535 5.006 1.00 0.00 C ATOM 281 CD LYS A 21 -7.440 -12.138 3.772 1.00 0.00 C ATOM 282 CE LYS A 21 -7.563 -13.649 3.889 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.131 -14.060 5.203 1.00 0.00 N ATOM 0 H LYS A 21 -5.301 -12.077 7.269 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.997 -13.623 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.901 -10.616 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.016 -11.365 3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.064 -12.120 5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.173 -10.526 5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.429 -11.701 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.850 -11.887 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.197 -14.025 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.581 -14.104 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.715 -14.911 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.357 -14.266 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.718 -13.290 5.583 1.00 0.00 H new ATOM 297 N ASP A 22 -2.540 -13.785 4.622 1.00 0.00 N ATOM 298 CA ASP A 22 -1.124 -13.854 4.283 1.00 0.00 C ATOM 299 C ASP A 22 -0.631 -12.518 3.734 1.00 0.00 C ATOM 300 O ASP A 22 -1.176 -11.996 2.763 1.00 0.00 O ATOM 301 CB ASP A 22 -0.875 -14.962 3.259 1.00 0.00 C ATOM 302 CG ASP A 22 -1.587 -16.252 3.618 1.00 0.00 C ATOM 303 OD1 ASP A 22 -1.474 -16.687 4.783 1.00 0.00 O ATOM 304 OD2 ASP A 22 -2.257 -16.826 2.734 1.00 0.00 O ATOM 0 H ASP A 22 -3.056 -14.649 4.455 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.569 -14.080 5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.209 -14.627 2.277 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.196 -15.150 3.184 1.00 0.00 H new ATOM 309 N GLY A 23 0.403 -11.969 4.366 1.00 0.00 N ATOM 310 CA GLY A 23 0.950 -10.699 3.927 1.00 0.00 C ATOM 311 C GLY A 23 0.987 -10.573 2.417 1.00 0.00 C ATOM 312 O GLY A 23 0.543 -9.570 1.859 1.00 0.00 O ATOM 0 H GLY A 23 0.871 -12.381 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.352 -9.887 4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.959 -10.586 4.323 1.00 0.00 H new ATOM 316 N LYS A 24 1.519 -11.594 1.753 1.00 0.00 N ATOM 317 CA LYS A 24 1.614 -11.595 0.298 1.00 0.00 C ATOM 318 C LYS A 24 0.304 -11.132 -0.332 1.00 0.00 C ATOM 319 O LYS A 24 0.297 -10.259 -1.201 1.00 0.00 O ATOM 320 CB LYS A 24 1.969 -12.994 -0.210 1.00 0.00 C ATOM 321 CG LYS A 24 2.627 -12.995 -1.579 1.00 0.00 C ATOM 322 CD LYS A 24 4.019 -12.388 -1.529 1.00 0.00 C ATOM 323 CE LYS A 24 4.806 -12.694 -2.794 1.00 0.00 C ATOM 324 NZ LYS A 24 4.226 -12.014 -3.986 1.00 0.00 N ATOM 0 H LYS A 24 1.891 -12.432 2.200 1.00 0.00 H new ATOM 0 HA LYS A 24 2.402 -10.900 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.638 -13.472 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.062 -13.597 -0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.688 -14.017 -1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.010 -12.434 -2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.942 -11.308 -1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.555 -12.776 -0.663 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.841 -12.378 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.820 -13.771 -2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.790 -12.247 -4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.247 -12.334 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.236 -10.985 -3.837 1.00 0.00 H new ATOM 338 N SER A 25 -0.802 -11.720 0.112 1.00 0.00 N ATOM 339 CA SER A 25 -2.117 -11.369 -0.411 1.00 0.00 C ATOM 340 C SER A 25 -2.511 -9.957 0.013 1.00 0.00 C ATOM 341 O SER A 25 -3.008 -9.170 -0.792 1.00 0.00 O ATOM 342 CB SER A 25 -3.166 -12.371 0.074 1.00 0.00 C ATOM 343 OG SER A 25 -2.894 -13.672 -0.417 1.00 0.00 O ATOM 0 H SER A 25 -0.814 -12.442 0.833 1.00 0.00 H new ATOM 0 HA SER A 25 -2.069 -11.403 -1.499 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.182 -12.386 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.156 -12.054 -0.255 1.00 0.00 H new ATOM 0 HG SER A 25 -3.578 -14.294 -0.091 1.00 0.00 H new ATOM 349 N VAL A 26 -2.285 -9.643 1.285 1.00 0.00 N ATOM 350 CA VAL A 26 -2.615 -8.327 1.818 1.00 0.00 C ATOM 351 C VAL A 26 -2.019 -7.220 0.957 1.00 0.00 C ATOM 352 O VAL A 26 -2.744 -6.438 0.343 1.00 0.00 O ATOM 353 CB VAL A 26 -2.111 -8.165 3.265 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.529 -6.815 3.828 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.626 -9.299 4.138 1.00 0.00 C ATOM 0 H VAL A 26 -1.875 -10.283 1.965 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.702 -8.245 1.808 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.022 -8.208 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.164 -6.719 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.106 -6.019 3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.616 -6.739 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.260 -9.169 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.716 -9.291 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.271 -10.251 3.744 1.00 0.00 H new ATOM 365 N SER A 27 -0.691 -7.160 0.915 1.00 0.00 N ATOM 366 CA SER A 27 0.004 -6.146 0.131 1.00 0.00 C ATOM 367 C SER A 27 -0.740 -5.862 -1.171 1.00 0.00 C ATOM 368 O SER A 27 -1.274 -4.771 -1.367 1.00 0.00 O ATOM 369 CB SER A 27 1.433 -6.598 -0.173 1.00 0.00 C ATOM 370 OG SER A 27 1.441 -7.834 -0.868 1.00 0.00 O ATOM 0 H SER A 27 -0.076 -7.802 1.415 1.00 0.00 H new ATOM 0 HA SER A 27 0.038 -5.228 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.939 -5.839 -0.770 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.992 -6.697 0.757 1.00 0.00 H new ATOM 0 HG SER A 27 0.777 -8.436 -0.472 1.00 0.00 H new ATOM 376 N ASN A 28 -0.769 -6.852 -2.057 1.00 0.00 N ATOM 377 CA ASN A 28 -1.446 -6.709 -3.340 1.00 0.00 C ATOM 378 C ASN A 28 -2.696 -5.845 -3.203 1.00 0.00 C ATOM 379 O ASN A 28 -2.811 -4.797 -3.838 1.00 0.00 O ATOM 380 CB ASN A 28 -1.821 -8.084 -3.898 1.00 0.00 C ATOM 381 CG ASN A 28 -2.229 -8.024 -5.358 1.00 0.00 C ATOM 382 OD1 ASN A 28 -2.867 -7.066 -5.796 1.00 0.00 O ATOM 383 ND2 ASN A 28 -1.861 -9.049 -6.117 1.00 0.00 N ATOM 0 H ASN A 28 -0.332 -7.762 -1.910 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.761 -6.218 -4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.974 -8.761 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.640 -8.500 -3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.106 -9.064 -7.107 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.333 -9.821 -5.710 1.00 0.00 H new ATOM 390 N ARG A 29 -3.629 -6.293 -2.369 1.00 0.00 N ATOM 391 CA ARG A 29 -4.871 -5.561 -2.149 1.00 0.00 C ATOM 392 C ARG A 29 -4.600 -4.070 -1.975 1.00 0.00 C ATOM 393 O ARG A 29 -5.282 -3.231 -2.565 1.00 0.00 O ATOM 394 CB ARG A 29 -5.596 -6.106 -0.917 1.00 0.00 C ATOM 395 CG ARG A 29 -6.787 -5.263 -0.490 1.00 0.00 C ATOM 396 CD ARG A 29 -7.878 -5.262 -1.550 1.00 0.00 C ATOM 397 NE ARG A 29 -8.620 -6.520 -1.572 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.692 -6.727 -2.329 1.00 0.00 C ATOM 399 NH1 ARG A 29 -10.144 -5.765 -3.121 1.00 0.00 N ATOM 400 NH2 ARG A 29 -10.314 -7.898 -2.294 1.00 0.00 N ATOM 0 H ARG A 29 -3.549 -7.158 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.504 -5.697 -3.026 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.935 -7.121 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.890 -6.169 -0.089 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.189 -5.648 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.461 -4.240 -0.301 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.566 -4.438 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.432 -5.087 -2.529 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.298 -7.281 -0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.669 -4.863 -3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.967 -5.927 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.969 -8.641 -1.686 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.137 -8.056 -2.876 1.00 0.00 H new ATOM 414 N LEU A 30 -3.600 -3.746 -1.163 1.00 0.00 N ATOM 415 CA LEU A 30 -3.238 -2.356 -0.911 1.00 0.00 C ATOM 416 C LEU A 30 -2.616 -1.722 -2.150 1.00 0.00 C ATOM 417 O LEU A 30 -3.016 -0.636 -2.572 1.00 0.00 O ATOM 418 CB LEU A 30 -2.264 -2.267 0.265 1.00 0.00 C ATOM 419 CG LEU A 30 -2.851 -2.556 1.647 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.854 -4.052 1.923 1.00 0.00 C ATOM 421 CD2 LEU A 30 -2.073 -1.814 2.724 1.00 0.00 C ATOM 0 H LEU A 30 -3.025 -4.428 -0.668 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.148 -1.809 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.446 -2.965 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.832 -1.266 0.278 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.882 -2.202 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.275 -4.239 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.456 -4.560 1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.833 -4.431 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.505 -2.032 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.032 -2.136 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.124 -0.742 2.536 1.00 0.00 H new ATOM 433 N ARG A 31 -1.636 -2.407 -2.731 1.00 0.00 N ATOM 434 CA ARG A 31 -0.959 -1.911 -3.923 1.00 0.00 C ATOM 435 C ARG A 31 -1.933 -1.163 -4.829 1.00 0.00 C ATOM 436 O ARG A 31 -1.654 -0.047 -5.269 1.00 0.00 O ATOM 437 CB ARG A 31 -0.319 -3.069 -4.691 1.00 0.00 C ATOM 438 CG ARG A 31 1.116 -3.354 -4.279 1.00 0.00 C ATOM 439 CD ARG A 31 1.457 -4.828 -4.429 1.00 0.00 C ATOM 440 NE ARG A 31 2.891 -5.043 -4.602 1.00 0.00 N ATOM 441 CZ ARG A 31 3.511 -4.960 -5.774 1.00 0.00 C ATOM 442 NH1 ARG A 31 2.825 -4.668 -6.871 1.00 0.00 N ATOM 443 NH2 ARG A 31 4.819 -5.170 -5.851 1.00 0.00 N ATOM 0 H ARG A 31 -1.293 -3.307 -2.395 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.179 -1.219 -3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.917 -3.968 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.344 -2.845 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.796 -2.758 -4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.266 -3.048 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.113 -5.371 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.923 -5.238 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 31 3.447 -5.269 -3.778 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.819 -4.507 -6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.303 -4.605 -7.770 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.350 -5.396 -5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.294 -5.106 -6.752 1.00 0.00 H new ATOM 457 N ARG A 32 -3.074 -1.785 -5.105 1.00 0.00 N ATOM 458 CA ARG A 32 -4.088 -1.179 -5.960 1.00 0.00 C ATOM 459 C ARG A 32 -4.582 0.138 -5.367 1.00 0.00 C ATOM 460 O ARG A 32 -4.689 1.145 -6.068 1.00 0.00 O ATOM 461 CB ARG A 32 -5.264 -2.138 -6.151 1.00 0.00 C ATOM 462 CG ARG A 32 -5.120 -3.045 -7.362 1.00 0.00 C ATOM 463 CD ARG A 32 -5.761 -2.431 -8.597 1.00 0.00 C ATOM 464 NE ARG A 32 -7.217 -2.377 -8.488 1.00 0.00 N ATOM 465 CZ ARG A 32 -8.013 -1.980 -9.474 1.00 0.00 C ATOM 466 NH1 ARG A 32 -7.498 -1.604 -10.637 1.00 0.00 N ATOM 467 NH2 ARG A 32 -9.328 -1.959 -9.299 1.00 0.00 N ATOM 0 H ARG A 32 -3.320 -2.709 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.635 -0.974 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.369 -2.753 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.182 -1.559 -6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.064 -3.232 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.582 -4.010 -7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.371 -1.424 -8.745 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.485 -3.013 -9.476 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.645 -2.660 -7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.488 -1.619 -10.776 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.112 -1.300 -11.392 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.728 -2.248 -8.406 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.939 -1.654 -10.057 1.00 0.00 H new ATOM 481 N LEU A 33 -4.882 0.123 -4.073 1.00 0.00 N ATOM 482 CA LEU A 33 -5.366 1.315 -3.386 1.00 0.00 C ATOM 483 C LEU A 33 -4.309 2.415 -3.396 1.00 0.00 C ATOM 484 O LEU A 33 -4.629 3.598 -3.274 1.00 0.00 O ATOM 485 CB LEU A 33 -5.752 0.976 -1.945 1.00 0.00 C ATOM 486 CG LEU A 33 -6.909 -0.010 -1.775 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.875 -0.638 -0.390 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.241 0.685 -2.015 1.00 0.00 C ATOM 0 H LEU A 33 -4.799 -0.702 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.247 1.678 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.876 0.567 -1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.012 1.902 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.798 -0.803 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.705 -1.337 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.934 -1.171 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.962 0.143 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.053 -0.031 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.361 1.498 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.264 1.087 -3.028 1.00 0.00 H new ATOM 500 N SER A 34 -3.049 2.017 -3.543 1.00 0.00 N ATOM 501 CA SER A 34 -1.945 2.969 -3.568 1.00 0.00 C ATOM 502 C SER A 34 -1.696 3.477 -4.985 1.00 0.00 C ATOM 503 O SER A 34 -1.355 4.642 -5.188 1.00 0.00 O ATOM 504 CB SER A 34 -0.674 2.322 -3.015 1.00 0.00 C ATOM 505 OG SER A 34 0.003 1.588 -4.020 1.00 0.00 O ATOM 0 H SER A 34 -2.768 1.042 -3.647 1.00 0.00 H new ATOM 0 HA SER A 34 -2.216 3.818 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.014 3.092 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.929 1.661 -2.187 1.00 0.00 H new ATOM 0 HG SER A 34 -0.545 0.822 -4.291 1.00 0.00 H new ATOM 511 N ASP A 35 -1.870 2.594 -5.961 1.00 0.00 N ATOM 512 CA ASP A 35 -1.665 2.951 -7.360 1.00 0.00 C ATOM 513 C ASP A 35 -2.683 3.995 -7.809 1.00 0.00 C ATOM 514 O ASP A 35 -2.354 4.918 -8.553 1.00 0.00 O ATOM 515 CB ASP A 35 -1.767 1.708 -8.246 1.00 0.00 C ATOM 516 CG ASP A 35 -1.292 1.966 -9.663 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.400 2.821 -9.843 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.812 1.313 -10.591 1.00 0.00 O ATOM 0 H ASP A 35 -2.153 1.626 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.666 3.377 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.175 0.904 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.802 1.366 -8.269 1.00 0.00 H new ATOM 523 N ASN A 36 -3.922 3.841 -7.352 1.00 0.00 N ATOM 524 CA ASN A 36 -4.988 4.770 -7.708 1.00 0.00 C ATOM 525 C ASN A 36 -4.805 6.107 -6.997 1.00 0.00 C ATOM 526 O ASN A 36 -5.135 7.162 -7.541 1.00 0.00 O ATOM 527 CB ASN A 36 -6.352 4.173 -7.352 1.00 0.00 C ATOM 528 CG ASN A 36 -7.485 4.817 -8.128 1.00 0.00 C ATOM 529 OD1 ASN A 36 -8.143 5.736 -7.641 1.00 0.00 O ATOM 530 ND2 ASN A 36 -7.717 4.335 -9.344 1.00 0.00 N ATOM 0 H ASN A 36 -4.212 3.082 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.942 4.942 -8.783 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.340 3.102 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.531 4.295 -6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.466 4.728 -9.914 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.146 3.572 -9.708 1.00 0.00 H new ATOM 537 N CYS A 37 -4.276 6.056 -5.779 1.00 0.00 N ATOM 538 CA CYS A 37 -4.048 7.263 -4.993 1.00 0.00 C ATOM 539 C CYS A 37 -2.590 7.701 -5.080 1.00 0.00 C ATOM 540 O CYS A 37 -2.041 8.259 -4.131 1.00 0.00 O ATOM 541 CB CYS A 37 -4.436 7.027 -3.533 1.00 0.00 C ATOM 542 SG CYS A 37 -5.958 6.075 -3.319 1.00 0.00 S ATOM 0 H CYS A 37 -3.997 5.192 -5.315 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.672 8.057 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.621 6.506 -3.031 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.551 7.991 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.689 4.805 -3.387 1.00 0.00 H new ATOM 548 N GLY A 38 -1.966 7.443 -6.226 1.00 0.00 N ATOM 549 CA GLY A 38 -0.577 7.816 -6.415 1.00 0.00 C ATOM 550 C GLY A 38 0.283 7.476 -5.214 1.00 0.00 C ATOM 551 O GLY A 38 0.718 8.364 -4.482 1.00 0.00 O ATOM 0 H GLY A 38 -2.398 6.982 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.184 7.307 -7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.515 8.886 -6.611 1.00 0.00 H new ATOM 555 N GLY A 39 0.528 6.185 -5.008 1.00 0.00 N ATOM 556 CA GLY A 39 1.338 5.753 -3.885 1.00 0.00 C ATOM 557 C GLY A 39 1.941 4.379 -4.099 1.00 0.00 C ATOM 558 O GLY A 39 1.632 3.703 -5.081 1.00 0.00 O ATOM 0 H GLY A 39 0.179 5.431 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.137 6.475 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.726 5.741 -2.983 1.00 0.00 H new ATOM 562 N LYS A 40 2.805 3.963 -3.180 1.00 0.00 N ATOM 563 CA LYS A 40 3.453 2.660 -3.271 1.00 0.00 C ATOM 564 C LYS A 40 3.778 2.115 -1.884 1.00 0.00 C ATOM 565 O LYS A 40 4.600 2.678 -1.162 1.00 0.00 O ATOM 566 CB LYS A 40 4.733 2.763 -4.103 1.00 0.00 C ATOM 567 CG LYS A 40 5.248 1.421 -4.595 1.00 0.00 C ATOM 568 CD LYS A 40 6.080 1.571 -5.858 1.00 0.00 C ATOM 569 CE LYS A 40 7.442 2.178 -5.559 1.00 0.00 C ATOM 570 NZ LYS A 40 8.053 2.794 -6.769 1.00 0.00 N ATOM 0 H LYS A 40 3.073 4.510 -2.362 1.00 0.00 H new ATOM 0 HA LYS A 40 2.763 1.972 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.547 3.408 -4.962 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.508 3.243 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.850 0.953 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.406 0.757 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.210 0.596 -6.327 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.549 2.200 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.340 2.933 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.106 1.406 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.980 3.196 -6.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.174 2.069 -7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.432 3.548 -7.126 1.00 0.00 H new ATOM 584 N VAL A 41 3.128 1.015 -1.519 1.00 0.00 N ATOM 585 CA VAL A 41 3.349 0.392 -0.219 1.00 0.00 C ATOM 586 C VAL A 41 4.802 -0.043 -0.059 1.00 0.00 C ATOM 587 O VAL A 41 5.179 -1.146 -0.460 1.00 0.00 O ATOM 588 CB VAL A 41 2.434 -0.830 -0.019 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.600 -1.816 -1.166 1.00 0.00 C ATOM 590 CG2 VAL A 41 2.723 -1.499 1.316 1.00 0.00 C ATOM 0 H VAL A 41 2.444 0.537 -2.105 1.00 0.00 H new ATOM 0 HA VAL A 41 3.111 1.141 0.536 1.00 0.00 H new ATOM 0 HB VAL A 41 1.399 -0.489 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.945 -2.673 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.338 -1.329 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.636 -2.154 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.067 -2.361 1.441 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.762 -1.827 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.547 -0.789 2.124 1.00 0.00 H new ATOM 600 N LEU A 42 5.613 0.828 0.529 1.00 0.00 N ATOM 601 CA LEU A 42 7.026 0.534 0.744 1.00 0.00 C ATOM 602 C LEU A 42 7.206 -0.843 1.375 1.00 0.00 C ATOM 603 O LEU A 42 7.879 -1.709 0.818 1.00 0.00 O ATOM 604 CB LEU A 42 7.660 1.603 1.635 1.00 0.00 C ATOM 605 CG LEU A 42 7.723 3.015 1.050 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.614 3.906 1.900 1.00 0.00 C ATOM 607 CD2 LEU A 42 8.221 2.974 -0.387 1.00 0.00 C ATOM 0 H LEU A 42 5.317 1.744 0.866 1.00 0.00 H new ATOM 0 HA LEU A 42 7.524 0.537 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.103 1.644 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.674 1.288 1.881 1.00 0.00 H new ATOM 0 HG LEU A 42 6.717 3.435 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.646 4.906 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.214 3.961 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.621 3.491 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.260 3.987 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.218 2.535 -0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.542 2.371 -0.990 1.00 0.00 H new ATOM 619 N SER A 43 6.597 -1.038 2.541 1.00 0.00 N ATOM 620 CA SER A 43 6.692 -2.309 3.249 1.00 0.00 C ATOM 621 C SER A 43 5.478 -2.520 4.149 1.00 0.00 C ATOM 622 O SER A 43 4.674 -1.610 4.349 1.00 0.00 O ATOM 623 CB SER A 43 7.973 -2.358 4.083 1.00 0.00 C ATOM 624 OG SER A 43 9.104 -2.610 3.266 1.00 0.00 O ATOM 0 H SER A 43 6.033 -0.332 3.015 1.00 0.00 H new ATOM 0 HA SER A 43 6.718 -3.109 2.509 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.104 -1.413 4.610 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.888 -3.136 4.841 1.00 0.00 H new ATOM 0 HG SER A 43 8.875 -2.440 2.329 1.00 0.00 H new ATOM 630 N ILE A 44 5.353 -3.728 4.689 1.00 0.00 N ATOM 631 CA ILE A 44 4.238 -4.060 5.568 1.00 0.00 C ATOM 632 C ILE A 44 4.715 -4.839 6.789 1.00 0.00 C ATOM 633 O ILE A 44 5.049 -6.021 6.695 1.00 0.00 O ATOM 634 CB ILE A 44 3.167 -4.886 4.831 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.606 -4.095 3.648 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.052 -5.281 5.788 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.146 -4.968 2.501 1.00 0.00 C ATOM 0 H ILE A 44 6.010 -4.493 4.533 1.00 0.00 H new ATOM 0 HA ILE A 44 3.798 -3.117 5.891 1.00 0.00 H new ATOM 0 HB ILE A 44 3.630 -5.795 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.768 -3.489 3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.370 -3.407 3.286 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.303 -5.864 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.465 -5.879 6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.589 -4.383 6.197 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.760 -4.340 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.986 -5.555 2.131 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.359 -5.638 2.847 1.00 0.00 H new ATOM 649 N THR A 45 4.742 -4.170 7.937 1.00 0.00 N ATOM 650 CA THR A 45 5.176 -4.799 9.178 1.00 0.00 C ATOM 651 C THR A 45 3.987 -5.129 10.073 1.00 0.00 C ATOM 652 O THR A 45 3.060 -4.332 10.208 1.00 0.00 O ATOM 653 CB THR A 45 6.153 -3.895 9.954 1.00 0.00 C ATOM 654 OG1 THR A 45 5.457 -2.761 10.483 1.00 0.00 O ATOM 655 CG2 THR A 45 7.287 -3.427 9.055 1.00 0.00 C ATOM 0 H THR A 45 4.468 -3.192 8.033 1.00 0.00 H new ATOM 0 HA THR A 45 5.687 -5.722 8.903 1.00 0.00 H new ATOM 0 HB THR A 45 6.576 -4.475 10.774 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.085 -2.193 10.976 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.964 -2.790 9.625 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.833 -4.292 8.678 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.878 -2.863 8.217 1.00 0.00 H new ATOM 663 N GLY A 46 4.021 -6.309 10.684 1.00 0.00 N ATOM 664 CA GLY A 46 2.940 -6.723 11.559 1.00 0.00 C ATOM 665 C GLY A 46 1.583 -6.268 11.060 1.00 0.00 C ATOM 666 O GLY A 46 1.293 -6.354 9.866 1.00 0.00 O ATOM 0 H GLY A 46 4.778 -6.986 10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.945 -7.809 11.649 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.110 -6.320 12.557 1.00 0.00 H new ATOM 670 N CYS A 47 0.750 -5.784 11.974 1.00 0.00 N ATOM 671 CA CYS A 47 -0.585 -5.315 11.621 1.00 0.00 C ATOM 672 C CYS A 47 -0.547 -3.862 11.159 1.00 0.00 C ATOM 673 O CYS A 47 -1.496 -3.108 11.371 1.00 0.00 O ATOM 674 CB CYS A 47 -1.531 -5.459 12.813 1.00 0.00 C ATOM 675 SG CYS A 47 -0.898 -4.742 14.348 1.00 0.00 S ATOM 0 H CYS A 47 0.976 -5.706 12.966 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.953 -5.929 10.799 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.482 -4.985 12.568 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.735 -6.517 12.976 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.685 -3.471 14.178 1.00 0.00 H new ATOM 681 N SER A 48 0.558 -3.476 10.528 1.00 0.00 N ATOM 682 CA SER A 48 0.722 -2.112 10.040 1.00 0.00 C ATOM 683 C SER A 48 1.490 -2.094 8.722 1.00 0.00 C ATOM 684 O SER A 48 2.125 -3.080 8.349 1.00 0.00 O ATOM 685 CB SER A 48 1.454 -1.261 11.081 1.00 0.00 C ATOM 686 OG SER A 48 2.744 -1.781 11.349 1.00 0.00 O ATOM 0 H SER A 48 1.352 -4.089 10.343 1.00 0.00 H new ATOM 0 HA SER A 48 -0.269 -1.692 9.868 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.539 -0.235 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.873 -1.229 12.003 1.00 0.00 H new ATOM 0 HG SER A 48 2.835 -2.662 10.930 1.00 0.00 H new ATOM 692 N ALA A 49 1.425 -0.967 8.022 1.00 0.00 N ATOM 693 CA ALA A 49 2.115 -0.819 6.746 1.00 0.00 C ATOM 694 C ALA A 49 2.541 0.627 6.517 1.00 0.00 C ATOM 695 O ALA A 49 2.000 1.548 7.129 1.00 0.00 O ATOM 696 CB ALA A 49 1.227 -1.297 5.607 1.00 0.00 C ATOM 0 H ALA A 49 0.902 -0.143 8.317 1.00 0.00 H new ATOM 0 HA ALA A 49 3.014 -1.435 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.755 -1.181 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.977 -2.347 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.311 -0.706 5.587 1.00 0.00 H new ATOM 702 N ILE A 50 3.515 0.819 5.633 1.00 0.00 N ATOM 703 CA ILE A 50 4.012 2.154 5.323 1.00 0.00 C ATOM 704 C ILE A 50 4.056 2.388 3.817 1.00 0.00 C ATOM 705 O ILE A 50 4.762 1.690 3.089 1.00 0.00 O ATOM 706 CB ILE A 50 5.419 2.379 5.907 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.382 2.287 7.434 1.00 0.00 C ATOM 708 CG2 ILE A 50 5.966 3.729 5.466 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.747 2.113 8.063 1.00 0.00 C ATOM 0 H ILE A 50 3.975 0.067 5.119 1.00 0.00 H new ATOM 0 HA ILE A 50 3.320 2.863 5.778 1.00 0.00 H new ATOM 0 HB ILE A 50 6.081 1.599 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.920 3.190 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.748 1.449 7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.961 3.873 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.024 3.760 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.305 4.522 5.817 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.644 2.055 9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.204 1.195 7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.378 2.963 7.803 1.00 0.00 H new ATOM 721 N LEU A 51 3.298 3.377 3.356 1.00 0.00 N ATOM 722 CA LEU A 51 3.251 3.706 1.936 1.00 0.00 C ATOM 723 C LEU A 51 4.090 4.945 1.636 1.00 0.00 C ATOM 724 O LEU A 51 4.509 5.658 2.547 1.00 0.00 O ATOM 725 CB LEU A 51 1.805 3.936 1.493 1.00 0.00 C ATOM 726 CG LEU A 51 0.879 2.722 1.566 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.189 2.657 2.919 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.147 2.765 0.443 1.00 0.00 C ATOM 0 H LEU A 51 2.708 3.965 3.945 1.00 0.00 H new ATOM 0 HA LEU A 51 3.666 2.865 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.380 4.729 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.814 4.299 0.465 1.00 0.00 H new ATOM 0 HG LEU A 51 1.482 1.822 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.466 1.786 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.939 2.577 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.401 3.561 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.797 1.893 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.745 3.672 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.366 2.761 -0.519 1.00 0.00 H new ATOM 740 N ARG A 52 4.329 5.194 0.352 1.00 0.00 N ATOM 741 CA ARG A 52 5.117 6.346 -0.068 1.00 0.00 C ATOM 742 C ARG A 52 4.378 7.150 -1.134 1.00 0.00 C ATOM 743 O ARG A 52 4.157 6.670 -2.246 1.00 0.00 O ATOM 744 CB ARG A 52 6.476 5.894 -0.605 1.00 0.00 C ATOM 745 CG ARG A 52 7.323 7.030 -1.154 1.00 0.00 C ATOM 746 CD ARG A 52 8.215 7.630 -0.079 1.00 0.00 C ATOM 747 NE ARG A 52 9.511 6.960 -0.007 1.00 0.00 N ATOM 748 CZ ARG A 52 10.458 7.091 -0.930 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.255 7.863 -1.989 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.612 6.450 -0.794 1.00 0.00 N ATOM 0 H ARG A 52 3.988 4.614 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 52 5.273 6.984 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.025 5.396 0.194 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.319 5.156 -1.392 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.938 6.662 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.674 7.804 -1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.366 8.690 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.716 7.559 0.887 1.00 0.00 H new ATOM 0 HE ARG A 52 9.699 6.359 0.795 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.370 8.358 -2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.984 7.961 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.773 5.856 0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.338 6.551 -1.503 1.00 0.00 H new ATOM 764 N PHE A 53 3.999 8.376 -0.787 1.00 0.00 N ATOM 765 CA PHE A 53 3.284 9.246 -1.714 1.00 0.00 C ATOM 766 C PHE A 53 4.150 10.434 -2.122 1.00 0.00 C ATOM 767 O PHE A 53 4.963 10.922 -1.336 1.00 0.00 O ATOM 768 CB PHE A 53 1.983 9.742 -1.080 1.00 0.00 C ATOM 769 CG PHE A 53 0.983 8.650 -0.832 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.097 7.825 0.275 1.00 0.00 C ATOM 771 CD2 PHE A 53 -0.073 8.447 -1.707 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.178 6.819 0.506 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.995 7.443 -1.481 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.869 6.627 -0.374 1.00 0.00 C ATOM 0 H PHE A 53 4.175 8.789 0.129 1.00 0.00 H new ATOM 0 HA PHE A 53 3.047 8.668 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.213 10.234 -0.135 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.535 10.493 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.914 7.970 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.176 9.081 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.278 6.184 1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.814 7.296 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.588 5.840 -0.197 1.00 0.00 H new ATOM 784 N ILE A 54 3.970 10.894 -3.355 1.00 0.00 N ATOM 785 CA ILE A 54 4.733 12.025 -3.868 1.00 0.00 C ATOM 786 C ILE A 54 4.664 13.213 -2.913 1.00 0.00 C ATOM 787 O ILE A 54 5.691 13.762 -2.515 1.00 0.00 O ATOM 788 CB ILE A 54 4.226 12.465 -5.254 1.00 0.00 C ATOM 789 CG1 ILE A 54 4.994 13.699 -5.734 1.00 0.00 C ATOM 790 CG2 ILE A 54 2.732 12.750 -5.205 1.00 0.00 C ATOM 791 CD1 ILE A 54 6.220 13.366 -6.555 1.00 0.00 C ATOM 0 H ILE A 54 3.302 10.501 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 54 5.767 11.693 -3.958 1.00 0.00 H new ATOM 0 HB ILE A 54 4.399 11.655 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.327 14.323 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.296 14.289 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.388 13.060 -6.192 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.199 11.849 -4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.537 13.546 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.714 14.288 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.907 12.767 -5.957 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.923 12.803 -7.440 1.00 0.00 H new ATOM 803 N ASN A 55 3.447 13.602 -2.549 1.00 0.00 N ATOM 804 CA ASN A 55 3.244 14.724 -1.639 1.00 0.00 C ATOM 805 C ASN A 55 2.046 14.475 -0.728 1.00 0.00 C ATOM 806 O ASN A 55 1.326 13.490 -0.888 1.00 0.00 O ATOM 807 CB ASN A 55 3.037 16.018 -2.430 1.00 0.00 C ATOM 808 CG ASN A 55 2.046 15.849 -3.566 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.854 15.640 -3.338 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.536 15.939 -4.797 1.00 0.00 N ATOM 0 H ASN A 55 2.587 13.158 -2.870 1.00 0.00 H new ATOM 0 HA ASN A 55 4.135 14.823 -1.019 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.684 16.800 -1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.993 16.352 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.917 15.834 -5.601 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.531 16.113 -4.938 1.00 0.00 H new ATOM 817 N GLN A 56 1.840 15.376 0.228 1.00 0.00 N ATOM 818 CA GLN A 56 0.729 15.253 1.165 1.00 0.00 C ATOM 819 C GLN A 56 -0.575 14.963 0.429 1.00 0.00 C ATOM 820 O GLN A 56 -1.144 13.879 0.558 1.00 0.00 O ATOM 821 CB GLN A 56 0.588 16.533 1.991 1.00 0.00 C ATOM 822 CG GLN A 56 -0.704 16.603 2.788 1.00 0.00 C ATOM 823 CD GLN A 56 -0.638 17.610 3.920 1.00 0.00 C ATOM 824 OE1 GLN A 56 -0.257 18.763 3.718 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.010 17.178 5.119 1.00 0.00 N ATOM 0 H GLN A 56 2.427 16.198 0.374 1.00 0.00 H new ATOM 0 HA GLN A 56 0.941 14.418 1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.432 16.608 2.676 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.641 17.394 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.524 16.866 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.928 15.618 3.196 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.319 16.214 5.240 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.987 17.811 5.919 1.00 0.00 H new ATOM 834 N ASP A 57 -1.042 15.939 -0.342 1.00 0.00 N ATOM 835 CA ASP A 57 -2.279 15.788 -1.100 1.00 0.00 C ATOM 836 C ASP A 57 -2.461 14.346 -1.562 1.00 0.00 C ATOM 837 O ASP A 57 -3.424 13.678 -1.183 1.00 0.00 O ATOM 838 CB ASP A 57 -2.281 16.727 -2.307 1.00 0.00 C ATOM 839 CG ASP A 57 -3.682 17.129 -2.726 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.405 16.271 -3.274 1.00 0.00 O ATOM 841 OD2 ASP A 57 -4.054 18.301 -2.507 1.00 0.00 O ATOM 0 H ASP A 57 -0.583 16.842 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.111 16.049 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.706 17.621 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.781 16.240 -3.144 1.00 0.00 H new ATOM 846 N SER A 58 -1.531 13.871 -2.384 1.00 0.00 N ATOM 847 CA SER A 58 -1.591 12.509 -2.902 1.00 0.00 C ATOM 848 C SER A 58 -1.832 11.509 -1.775 1.00 0.00 C ATOM 849 O SER A 58 -2.661 10.608 -1.897 1.00 0.00 O ATOM 850 CB SER A 58 -0.295 12.163 -3.638 1.00 0.00 C ATOM 851 OG SER A 58 -0.361 12.554 -4.998 1.00 0.00 O ATOM 0 H SER A 58 -0.727 14.409 -2.706 1.00 0.00 H new ATOM 0 HA SER A 58 -2.425 12.449 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.546 12.660 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.112 11.091 -3.573 1.00 0.00 H new ATOM 0 HG SER A 58 0.058 11.866 -5.557 1.00 0.00 H new ATOM 857 N ALA A 59 -1.101 11.676 -0.678 1.00 0.00 N ATOM 858 CA ALA A 59 -1.235 10.791 0.472 1.00 0.00 C ATOM 859 C ALA A 59 -2.631 10.886 1.078 1.00 0.00 C ATOM 860 O ALA A 59 -3.258 9.871 1.377 1.00 0.00 O ATOM 861 CB ALA A 59 -0.180 11.120 1.518 1.00 0.00 C ATOM 0 H ALA A 59 -0.409 12.417 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.084 9.767 0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.292 10.451 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.813 10.993 1.086 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.303 12.152 1.847 1.00 0.00 H new ATOM 867 N GLU A 60 -3.112 12.113 1.255 1.00 0.00 N ATOM 868 CA GLU A 60 -4.434 12.339 1.827 1.00 0.00 C ATOM 869 C GLU A 60 -5.490 11.512 1.100 1.00 0.00 C ATOM 870 O GLU A 60 -6.117 10.631 1.688 1.00 0.00 O ATOM 871 CB GLU A 60 -4.797 13.824 1.758 1.00 0.00 C ATOM 872 CG GLU A 60 -3.805 14.727 2.474 1.00 0.00 C ATOM 873 CD GLU A 60 -4.410 16.061 2.868 1.00 0.00 C ATOM 874 OE1 GLU A 60 -4.487 16.957 2.002 1.00 0.00 O ATOM 875 OE2 GLU A 60 -4.806 16.208 4.043 1.00 0.00 O ATOM 0 H GLU A 60 -2.606 12.965 1.011 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.408 12.027 2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.861 14.126 0.713 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.786 13.968 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.437 14.221 3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.944 14.899 1.828 1.00 0.00 H new ATOM 882 N ARG A 61 -5.683 11.804 -0.182 1.00 0.00 N ATOM 883 CA ARG A 61 -6.664 11.090 -0.990 1.00 0.00 C ATOM 884 C ARG A 61 -6.625 9.593 -0.694 1.00 0.00 C ATOM 885 O ARG A 61 -7.627 8.895 -0.846 1.00 0.00 O ATOM 886 CB ARG A 61 -6.406 11.333 -2.478 1.00 0.00 C ATOM 887 CG ARG A 61 -6.485 12.798 -2.878 1.00 0.00 C ATOM 888 CD ARG A 61 -6.530 12.960 -4.389 1.00 0.00 C ATOM 889 NE ARG A 61 -7.897 12.936 -4.902 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.198 12.768 -6.185 1.00 0.00 C ATOM 891 NH1 ARG A 61 -7.232 12.611 -7.081 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.466 12.757 -6.575 1.00 0.00 N ATOM 0 H ARG A 61 -5.172 12.531 -0.684 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.653 11.469 -0.734 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.419 10.948 -2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.131 10.766 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.373 13.250 -2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.623 13.332 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.055 13.901 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.953 12.162 -4.856 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.663 13.055 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.256 12.619 -6.785 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.466 12.482 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.212 12.878 -5.889 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.695 12.628 -7.560 1.00 0.00 H new ATOM 906 N ALA A 62 -5.462 9.109 -0.271 1.00 0.00 N ATOM 907 CA ALA A 62 -5.293 7.696 0.047 1.00 0.00 C ATOM 908 C ALA A 62 -5.521 7.437 1.532 1.00 0.00 C ATOM 909 O ALA A 62 -5.937 6.348 1.924 1.00 0.00 O ATOM 910 CB ALA A 62 -3.907 7.224 -0.367 1.00 0.00 C ATOM 0 H ALA A 62 -4.623 9.674 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.039 7.131 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.795 6.167 -0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.780 7.365 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.152 7.801 0.166 1.00 0.00 H new ATOM 916 N GLN A 63 -5.245 8.445 2.353 1.00 0.00 N ATOM 917 CA GLN A 63 -5.419 8.325 3.796 1.00 0.00 C ATOM 918 C GLN A 63 -6.883 8.505 4.184 1.00 0.00 C ATOM 919 O GLN A 63 -7.316 8.053 5.245 1.00 0.00 O ATOM 920 CB GLN A 63 -4.556 9.356 4.523 1.00 0.00 C ATOM 921 CG GLN A 63 -4.601 9.229 6.037 1.00 0.00 C ATOM 922 CD GLN A 63 -5.790 9.944 6.648 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.519 10.659 5.960 1.00 0.00 O ATOM 924 NE2 GLN A 63 -5.993 9.753 7.946 1.00 0.00 N ATOM 0 H GLN A 63 -4.900 9.354 2.044 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.103 7.325 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.524 9.254 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.885 10.356 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.638 8.174 6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.682 9.635 6.459 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.363 9.152 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.779 10.207 8.412 1.00 0.00 H new ATOM 933 N LYS A 64 -7.642 9.170 3.320 1.00 0.00 N ATOM 934 CA LYS A 64 -9.058 9.410 3.571 1.00 0.00 C ATOM 935 C LYS A 64 -9.912 8.291 2.983 1.00 0.00 C ATOM 936 O LYS A 64 -11.051 8.081 3.402 1.00 0.00 O ATOM 937 CB LYS A 64 -9.481 10.755 2.977 1.00 0.00 C ATOM 938 CG LYS A 64 -9.415 10.798 1.460 1.00 0.00 C ATOM 939 CD LYS A 64 -10.730 10.368 0.831 1.00 0.00 C ATOM 940 CE LYS A 64 -11.708 11.529 0.737 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.770 11.278 -0.277 1.00 0.00 N ATOM 0 H LYS A 64 -7.300 9.553 2.439 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.212 9.432 4.650 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.500 10.979 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.841 11.539 3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.168 11.809 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.614 10.146 1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.544 9.966 -0.165 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.172 9.565 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.168 11.696 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.167 12.440 0.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.417 12.092 -0.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.333 11.143 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.303 10.423 -0.017 1.00 0.00 H new ATOM 955 N ARG A 65 -9.356 7.576 2.011 1.00 0.00 N ATOM 956 CA ARG A 65 -10.067 6.479 1.366 1.00 0.00 C ATOM 957 C ARG A 65 -9.791 5.158 2.080 1.00 0.00 C ATOM 958 O ARG A 65 -10.668 4.301 2.179 1.00 0.00 O ATOM 959 CB ARG A 65 -9.657 6.371 -0.104 1.00 0.00 C ATOM 960 CG ARG A 65 -8.482 5.438 -0.342 1.00 0.00 C ATOM 961 CD ARG A 65 -8.944 4.007 -0.569 1.00 0.00 C ATOM 962 NE ARG A 65 -9.754 3.879 -1.778 1.00 0.00 N ATOM 963 CZ ARG A 65 -9.244 3.840 -3.004 1.00 0.00 C ATOM 964 NH1 ARG A 65 -7.933 3.918 -3.183 1.00 0.00 N ATOM 965 NH2 ARG A 65 -10.046 3.722 -4.054 1.00 0.00 N ATOM 0 H ARG A 65 -8.415 7.737 1.653 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.135 6.688 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.510 6.022 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.403 7.364 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.914 5.780 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.809 5.473 0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.075 3.353 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.522 3.672 0.292 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.767 3.816 -1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.313 4.008 -2.378 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.544 3.888 -4.126 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.055 3.661 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.653 3.692 -4.995 1.00 0.00 H new ATOM 979 N MET A 66 -8.567 5.003 2.574 1.00 0.00 N ATOM 980 CA MET A 66 -8.177 3.788 3.279 1.00 0.00 C ATOM 981 C MET A 66 -8.757 3.767 4.689 1.00 0.00 C ATOM 982 O MET A 66 -9.062 2.703 5.228 1.00 0.00 O ATOM 983 CB MET A 66 -6.652 3.676 3.341 1.00 0.00 C ATOM 984 CG MET A 66 -6.033 3.108 2.075 1.00 0.00 C ATOM 985 SD MET A 66 -4.444 2.309 2.376 1.00 0.00 S ATOM 986 CE MET A 66 -3.358 3.328 1.381 1.00 0.00 C ATOM 0 H MET A 66 -7.829 5.703 2.499 1.00 0.00 H new ATOM 0 HA MET A 66 -8.575 2.935 2.729 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.231 4.663 3.530 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.376 3.044 4.186 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.720 2.387 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.900 3.910 1.349 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.012 2.757 0.519 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.899 4.210 1.038 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.501 3.638 1.979 1.00 0.00 H new ATOM 996 N GLU A 67 -8.907 4.948 5.281 1.00 0.00 N ATOM 997 CA GLU A 67 -9.450 5.063 6.629 1.00 0.00 C ATOM 998 C GLU A 67 -10.672 4.166 6.802 1.00 0.00 C ATOM 999 O GLU A 67 -10.856 3.545 7.848 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.823 6.516 6.930 1.00 0.00 C ATOM 1001 CG GLU A 67 -11.204 6.906 6.429 1.00 0.00 C ATOM 1002 CD GLU A 67 -11.371 8.406 6.287 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -10.596 9.153 6.921 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -12.276 8.834 5.540 1.00 0.00 O ATOM 0 H GLU A 67 -8.660 5.838 4.848 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.682 4.740 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.777 6.679 8.007 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.082 7.174 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.384 6.431 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.958 6.524 7.118 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.505 4.105 5.768 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.711 3.285 5.805 1.00 0.00 C ATOM 1013 C ASN A 68 -12.503 1.978 5.046 1.00 0.00 C ATOM 1014 O ASN A 68 -13.085 0.950 5.391 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.892 4.052 5.207 1.00 0.00 C ATOM 1016 CG ASN A 68 -13.875 4.051 3.691 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -14.679 3.375 3.050 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -12.954 4.812 3.109 1.00 0.00 N ATOM 0 H ASN A 68 -11.367 4.613 4.894 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.929 3.049 6.847 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.824 3.609 5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.873 5.081 5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.894 4.852 2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.307 5.356 3.680 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.669 2.026 4.012 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.385 0.845 3.206 1.00 0.00 C ATOM 1027 C GLU A 69 -11.064 -0.355 4.092 1.00 0.00 C ATOM 1028 O GLU A 69 -10.510 -0.206 5.182 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.217 1.118 2.255 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.254 0.279 0.989 1.00 0.00 C ATOM 1031 CD GLU A 69 -11.650 0.157 0.411 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.375 -0.781 0.801 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -12.018 1.002 -0.433 1.00 0.00 O ATOM 0 H GLU A 69 -11.179 2.869 3.713 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.275 0.614 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.221 2.173 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.280 0.928 2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.594 0.723 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.866 -0.716 1.206 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.415 -1.545 3.617 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.165 -2.772 4.365 1.00 0.00 C ATOM 1042 C ASP A 70 -10.442 -3.798 3.498 1.00 0.00 C ATOM 1043 O ASP A 70 -11.040 -4.410 2.612 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.480 -3.357 4.881 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.284 -4.029 3.786 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -14.028 -3.320 3.075 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -13.169 -5.264 3.638 1.00 0.00 O ATOM 0 H ASP A 70 -11.874 -1.686 2.717 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.528 -2.527 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.268 -4.080 5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.076 -2.563 5.330 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.152 -3.982 3.759 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.347 -4.935 3.004 1.00 0.00 C ATOM 1054 C VAL A 71 -9.091 -6.251 2.810 1.00 0.00 C ATOM 1055 O VAL A 71 -9.104 -6.814 1.715 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.004 -5.215 3.704 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.257 -6.336 2.998 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.158 -3.952 3.760 1.00 0.00 C ATOM 0 H VAL A 71 -8.642 -3.483 4.488 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.153 -4.484 2.031 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.207 -5.534 4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.311 -6.520 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.861 -7.243 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.063 -6.050 1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.213 -4.169 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.962 -3.600 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.692 -3.181 4.315 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.711 -6.737 3.880 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.458 -7.988 3.828 1.00 0.00 C ATOM 1070 C PHE A 72 -11.352 -8.139 5.056 1.00 0.00 C ATOM 1071 O PHE A 72 -10.873 -8.416 6.155 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.499 -9.176 3.733 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.950 -9.394 2.351 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.782 -9.789 1.316 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.603 -9.205 2.089 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -9.281 -9.990 0.044 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -7.096 -9.404 0.818 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.936 -9.798 -0.205 1.00 0.00 C ATOM 0 H PHE A 72 -9.711 -6.284 4.794 1.00 0.00 H new ATOM 0 HA PHE A 72 -11.090 -7.968 2.940 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.671 -9.020 4.424 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.018 -10.079 4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.834 -9.942 1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.942 -8.899 2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.940 -10.297 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.044 -9.251 0.626 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.542 -9.956 -1.198 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.654 -7.955 4.860 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.594 -8.074 5.959 1.00 0.00 C ATOM 1090 C GLY A 73 -13.085 -7.424 7.230 1.00 0.00 C ATOM 1091 O GLY A 73 -13.287 -7.946 8.325 1.00 0.00 O ATOM 0 H GLY A 73 -13.075 -7.726 3.959 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.541 -7.616 5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.795 -9.128 6.149 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.421 -6.282 7.084 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.879 -5.561 8.230 1.00 0.00 C ATOM 1097 C ASN A 74 -11.386 -4.177 7.819 1.00 0.00 C ATOM 1098 O ASN A 74 -10.508 -4.049 6.966 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.736 -6.355 8.865 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.929 -5.525 9.844 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -10.394 -5.213 10.941 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.714 -5.162 9.451 1.00 0.00 N ATOM 0 H ASN A 74 -12.245 -5.836 6.184 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.678 -5.440 8.962 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.144 -7.225 9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.078 -6.729 8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.125 -4.602 10.067 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.370 -5.443 8.533 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.956 -3.145 8.432 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.575 -1.771 8.129 1.00 0.00 C ATOM 1111 C ARG A 75 -10.186 -1.458 8.678 1.00 0.00 C ATOM 1112 O ARG A 75 -9.858 -1.822 9.808 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.597 -0.794 8.713 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.159 0.659 8.646 1.00 0.00 C ATOM 1115 CD ARG A 75 -12.720 1.465 9.807 1.00 0.00 C ATOM 1116 NE ARG A 75 -12.830 2.885 9.486 1.00 0.00 N ATOM 1117 CZ ARG A 75 -13.452 3.768 10.260 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -14.017 3.378 11.394 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -13.510 5.043 9.899 1.00 0.00 N ATOM 0 H ARG A 75 -12.683 -3.234 9.141 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.553 -1.658 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.540 -0.905 8.178 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.787 -1.059 9.753 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.070 0.713 8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.490 1.097 7.704 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.703 1.077 10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.078 1.339 10.679 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.406 3.218 8.620 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.975 2.398 11.674 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.494 4.058 11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.077 5.346 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.988 5.720 10.494 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.374 -0.783 7.872 1.00 0.00 N ATOM 1134 CA ILE A 76 -8.022 -0.422 8.277 1.00 0.00 C ATOM 1135 C ILE A 76 -7.937 1.053 8.655 1.00 0.00 C ATOM 1136 O ILE A 76 -8.727 1.871 8.185 1.00 0.00 O ATOM 1137 CB ILE A 76 -7.002 -0.713 7.160 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.460 -0.082 5.844 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.811 -2.214 6.996 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.402 -0.105 4.763 1.00 0.00 C ATOM 0 H ILE A 76 -9.629 -0.475 6.934 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.780 -1.033 9.147 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.045 -0.272 7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.345 -0.609 5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.757 0.950 6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.088 -2.404 6.203 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.445 -2.638 7.931 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.764 -2.676 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.796 0.359 3.858 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.525 0.446 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.122 -1.137 4.550 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.972 1.385 9.507 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.782 2.762 9.945 1.00 0.00 C ATOM 1154 C ILE A 77 -5.527 3.368 9.326 1.00 0.00 C ATOM 1155 O ILE A 77 -4.457 2.759 9.342 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.680 2.855 11.479 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.935 2.272 12.132 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.475 4.300 11.910 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.780 2.013 13.614 1.00 0.00 C ATOM 0 H ILE A 77 -6.311 0.720 9.907 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.655 3.323 9.612 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.819 2.273 11.807 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.768 2.958 11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.194 1.338 11.633 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.405 4.349 12.997 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.555 4.684 11.469 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.318 4.903 11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.708 1.600 14.010 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.969 1.303 13.776 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.552 2.948 14.125 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.665 4.573 8.782 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.542 5.264 8.160 1.00 0.00 C ATOM 1173 C VAL A 78 -4.228 6.568 8.886 1.00 0.00 C ATOM 1174 O VAL A 78 -5.105 7.409 9.079 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.823 5.570 6.677 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.539 5.955 5.958 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.484 4.378 6.003 1.00 0.00 C ATOM 0 H VAL A 78 -6.544 5.091 8.760 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.683 4.597 8.229 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.509 6.415 6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.758 6.168 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.111 6.841 6.427 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.827 5.132 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.675 4.612 4.956 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.825 3.512 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.426 4.154 6.503 1.00 0.00 H new ATOM 1187 N SER A 79 -2.970 6.727 9.286 1.00 0.00 N ATOM 1188 CA SER A 79 -2.540 7.927 9.995 1.00 0.00 C ATOM 1189 C SER A 79 -1.199 8.422 9.461 1.00 0.00 C ATOM 1190 O SER A 79 -0.377 7.635 8.992 1.00 0.00 O ATOM 1191 CB SER A 79 -2.434 7.649 11.495 1.00 0.00 C ATOM 1192 OG SER A 79 -2.712 8.815 12.251 1.00 0.00 O ATOM 0 H SER A 79 -2.231 6.041 9.131 1.00 0.00 H new ATOM 0 HA SER A 79 -3.286 8.704 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.131 6.858 11.771 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.433 7.289 11.731 1.00 0.00 H new ATOM 0 HG SER A 79 -2.639 8.610 13.207 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.986 9.731 9.537 1.00 0.00 N ATOM 1199 CA PHE A 80 0.254 10.333 9.061 1.00 0.00 C ATOM 1200 C PHE A 80 1.363 10.186 10.099 1.00 0.00 C ATOM 1201 O PHE A 80 2.548 10.189 9.765 1.00 0.00 O ATOM 1202 CB PHE A 80 0.037 11.812 8.736 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.472 12.051 7.343 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.577 11.363 6.867 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.154 12.963 6.509 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.046 11.580 5.586 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.312 13.185 5.227 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.414 12.493 4.765 1.00 0.00 C ATOM 0 H PHE A 80 -1.656 10.396 9.924 1.00 0.00 H new ATOM 0 HA PHE A 80 0.557 9.810 8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.671 12.233 9.450 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.978 12.347 8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.077 10.649 7.505 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.016 13.507 6.865 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.907 11.036 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.185 13.899 4.587 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.781 12.665 3.764 1.00 0.00 H new ATOM 1218 N THR A 81 0.969 10.060 11.363 1.00 0.00 N ATOM 1219 CA THR A 81 1.928 9.915 12.451 1.00 0.00 C ATOM 1220 C THR A 81 1.931 8.490 12.994 1.00 0.00 C ATOM 1221 O THR A 81 0.953 7.752 12.874 1.00 0.00 O ATOM 1222 CB THR A 81 1.622 10.890 13.603 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.217 10.895 13.881 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.080 12.298 13.256 1.00 0.00 C ATOM 0 H THR A 81 -0.007 10.056 11.658 1.00 0.00 H new ATOM 0 HA THR A 81 2.910 10.147 12.040 1.00 0.00 H new ATOM 0 HB THR A 81 2.165 10.555 14.487 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.031 11.516 14.616 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.853 12.969 14.085 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.155 12.297 13.074 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.561 12.639 12.360 1.00 0.00 H new ATOM 1232 N PRO A 82 3.056 8.093 13.607 1.00 0.00 N ATOM 1233 CA PRO A 82 3.213 6.753 14.182 1.00 0.00 C ATOM 1234 C PRO A 82 2.349 6.550 15.422 1.00 0.00 C ATOM 1235 O PRO A 82 1.979 7.510 16.098 1.00 0.00 O ATOM 1236 CB PRO A 82 4.698 6.697 14.550 1.00 0.00 C ATOM 1237 CG PRO A 82 5.092 8.120 14.750 1.00 0.00 C ATOM 1238 CD PRO A 82 4.261 8.920 13.787 1.00 0.00 C ATOM 0 HA PRO A 82 2.902 5.972 13.488 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.860 6.110 15.454 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.285 6.231 13.758 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.909 8.435 15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.156 8.261 14.558 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.017 9.904 14.188 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.783 9.081 12.844 1.00 0.00 H new ATOM 1246 N LYS A 83 2.031 5.293 15.716 1.00 0.00 N ATOM 1247 CA LYS A 83 1.212 4.962 16.875 1.00 0.00 C ATOM 1248 C LYS A 83 2.083 4.550 18.057 1.00 0.00 C ATOM 1249 O LYS A 83 1.769 4.852 19.208 1.00 0.00 O ATOM 1250 CB LYS A 83 0.235 3.836 16.531 1.00 0.00 C ATOM 1251 CG LYS A 83 -0.769 4.210 15.454 1.00 0.00 C ATOM 1252 CD LYS A 83 -1.997 4.883 16.045 1.00 0.00 C ATOM 1253 CE LYS A 83 -3.018 3.861 16.520 1.00 0.00 C ATOM 1254 NZ LYS A 83 -3.926 4.424 17.557 1.00 0.00 N ATOM 0 H LYS A 83 2.329 4.487 15.167 1.00 0.00 H new ATOM 0 HA LYS A 83 0.647 5.851 17.155 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.800 2.964 16.202 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.304 3.545 17.433 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.298 4.878 14.733 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.070 3.315 14.910 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.699 5.517 16.880 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.452 5.533 15.298 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.607 3.515 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.500 2.991 16.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.607 3.696 17.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.367 4.731 18.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.440 5.238 17.164 1.00 0.00 H new ATOM 1268 N ASN A 84 3.181 3.859 17.765 1.00 0.00 N ATOM 1269 CA ASN A 84 4.098 3.406 18.804 1.00 0.00 C ATOM 1270 C ASN A 84 4.416 4.535 19.779 1.00 0.00 C ATOM 1271 O ASN A 84 4.231 4.395 20.988 1.00 0.00 O ATOM 1272 CB ASN A 84 5.391 2.879 18.178 1.00 0.00 C ATOM 1273 CG ASN A 84 5.192 1.552 17.472 1.00 0.00 C ATOM 1274 OD1 ASN A 84 5.290 1.466 16.247 1.00 0.00 O ATOM 1275 ND2 ASN A 84 4.911 0.508 18.243 1.00 0.00 N ATOM 0 H ASN A 84 3.457 3.601 16.817 1.00 0.00 H new ATOM 0 HA ASN A 84 3.614 2.600 19.355 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.772 3.612 17.467 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.147 2.765 18.955 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.767 -0.411 17.824 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.839 0.625 19.254 1.00 0.00 H new ATOM 1282 N ARG A 85 4.894 5.654 19.245 1.00 0.00 N ATOM 1283 CA ARG A 85 5.238 6.808 20.068 1.00 0.00 C ATOM 1284 C ARG A 85 4.773 8.103 19.409 1.00 0.00 C ATOM 1285 O ARG A 85 4.731 8.207 18.184 1.00 0.00 O ATOM 1286 CB ARG A 85 6.748 6.858 20.307 1.00 0.00 C ATOM 1287 CG ARG A 85 7.257 5.756 21.223 1.00 0.00 C ATOM 1288 CD ARG A 85 6.964 6.067 22.683 1.00 0.00 C ATOM 1289 NE ARG A 85 7.551 5.076 23.581 1.00 0.00 N ATOM 1290 CZ ARG A 85 7.055 3.857 23.755 1.00 0.00 C ATOM 1291 NH1 ARG A 85 5.968 3.479 23.096 1.00 0.00 N ATOM 1292 NH2 ARG A 85 7.646 3.012 24.591 1.00 0.00 N ATOM 0 H ARG A 85 5.052 5.786 18.246 1.00 0.00 H new ATOM 0 HA ARG A 85 4.729 6.705 21.026 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.262 6.788 19.348 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.007 7.825 20.737 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.790 4.810 20.950 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.331 5.633 21.084 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.354 7.055 22.929 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.886 6.102 22.837 1.00 0.00 H new ATOM 0 HE ARG A 85 8.388 5.335 24.103 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.511 4.126 22.453 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.589 2.542 23.232 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.482 3.299 25.100 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.264 2.076 24.724 1.00 0.00 H new ATOM 1306 N GLU A 86 4.426 9.088 20.232 1.00 0.00 N ATOM 1307 CA GLU A 86 3.963 10.376 19.728 1.00 0.00 C ATOM 1308 C GLU A 86 4.711 11.523 20.400 1.00 0.00 C ATOM 1309 O GLU A 86 5.016 11.467 21.592 1.00 0.00 O ATOM 1310 CB GLU A 86 2.458 10.528 19.961 1.00 0.00 C ATOM 1311 CG GLU A 86 1.784 11.474 18.981 1.00 0.00 C ATOM 1312 CD GLU A 86 2.187 11.209 17.543 1.00 0.00 C ATOM 1313 OE1 GLU A 86 3.188 11.801 17.089 1.00 0.00 O ATOM 1314 OE2 GLU A 86 1.501 10.410 16.872 1.00 0.00 O ATOM 0 H GLU A 86 4.457 9.019 21.249 1.00 0.00 H new ATOM 0 HA GLU A 86 4.163 10.412 18.657 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.987 9.548 19.890 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.290 10.889 20.976 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.702 11.378 19.075 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.037 12.502 19.242 1.00 0.00 H new ATOM 1321 N LEU A 87 5.005 12.563 19.627 1.00 0.00 N ATOM 1322 CA LEU A 87 5.719 13.725 20.146 1.00 0.00 C ATOM 1323 C LEU A 87 5.030 15.019 19.726 1.00 0.00 C ATOM 1324 O LEU A 87 4.981 15.984 20.489 1.00 0.00 O ATOM 1325 CB LEU A 87 7.167 13.721 19.653 1.00 0.00 C ATOM 1326 CG LEU A 87 7.410 13.071 18.290 1.00 0.00 C ATOM 1327 CD1 LEU A 87 7.168 14.072 17.171 1.00 0.00 C ATOM 1328 CD2 LEU A 87 8.822 12.510 18.211 1.00 0.00 C ATOM 0 H LEU A 87 4.760 12.625 18.639 1.00 0.00 H new ATOM 0 HA LEU A 87 5.713 13.668 21.235 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.518 14.752 19.609 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.780 13.207 20.393 1.00 0.00 H new ATOM 0 HG LEU A 87 6.706 12.247 18.171 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.346 13.592 16.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.138 14.425 17.216 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.847 14.917 17.286 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.977 12.051 17.234 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.542 13.316 18.352 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.960 11.760 18.990 1.00 0.00 H new ATOM 1340 N CYS A 88 4.497 15.031 18.509 1.00 0.00 N ATOM 1341 CA CYS A 88 3.809 16.207 17.987 1.00 0.00 C ATOM 1342 C CYS A 88 4.460 17.489 18.498 1.00 0.00 C ATOM 1343 O CYS A 88 3.781 18.379 19.009 1.00 0.00 O ATOM 1344 CB CYS A 88 2.333 16.177 18.384 1.00 0.00 C ATOM 1345 SG CYS A 88 1.248 17.087 17.259 1.00 0.00 S ATOM 0 H CYS A 88 4.528 14.240 17.866 1.00 0.00 H new ATOM 0 HA CYS A 88 3.886 16.190 16.900 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.002 15.140 18.432 1.00 0.00 H new ATOM 0 HB3 CYS A 88 2.229 16.591 19.387 1.00 0.00 H new ATOM 0 HG CYS A 88 0.020 17.002 17.677 1.00 0.00 H new ATOM 1351 N GLU A 89 5.779 17.574 18.356 1.00 0.00 N ATOM 1352 CA GLU A 89 6.521 18.746 18.806 1.00 0.00 C ATOM 1353 C GLU A 89 7.833 18.886 18.040 1.00 0.00 C ATOM 1354 O GLU A 89 8.572 17.916 17.869 1.00 0.00 O ATOM 1355 CB GLU A 89 6.801 18.655 20.307 1.00 0.00 C ATOM 1356 CG GLU A 89 7.812 17.582 20.674 1.00 0.00 C ATOM 1357 CD GLU A 89 9.245 18.063 20.547 1.00 0.00 C ATOM 1358 OE1 GLU A 89 9.525 19.207 20.964 1.00 0.00 O ATOM 1359 OE2 GLU A 89 10.085 17.297 20.031 1.00 0.00 O ATOM 0 H GLU A 89 6.355 16.846 17.933 1.00 0.00 H new ATOM 0 HA GLU A 89 5.910 19.628 18.611 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.164 19.620 20.659 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.866 18.456 20.831 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.632 17.254 21.698 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.665 16.715 20.031 1.00 0.00 H new ATOM 1366 N THR A 90 8.117 20.101 17.581 1.00 0.00 N ATOM 1367 CA THR A 90 9.338 20.369 16.832 1.00 0.00 C ATOM 1368 C THR A 90 10.135 21.503 17.467 1.00 0.00 C ATOM 1369 O THR A 90 9.753 22.670 17.373 1.00 0.00 O ATOM 1370 CB THR A 90 9.031 20.730 15.366 1.00 0.00 C ATOM 1371 OG1 THR A 90 8.253 21.930 15.310 1.00 0.00 O ATOM 1372 CG2 THR A 90 8.280 19.600 14.677 1.00 0.00 C ATOM 0 H THR A 90 7.517 20.915 17.715 1.00 0.00 H new ATOM 0 HA THR A 90 9.930 19.454 16.856 1.00 0.00 H new ATOM 0 HB THR A 90 9.977 20.886 14.847 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.535 22.537 16.026 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.074 19.877 13.643 1.00 0.00 H new ATOM 0 HG22 THR A 90 8.887 18.695 14.696 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.340 19.417 15.198 1.00 0.00 H new ATOM 1380 N SER A 91 11.243 21.153 18.111 1.00 0.00 N ATOM 1381 CA SER A 91 12.092 22.143 18.764 1.00 0.00 C ATOM 1382 C SER A 91 13.060 22.772 17.767 1.00 0.00 C ATOM 1383 O SER A 91 14.135 22.234 17.505 1.00 0.00 O ATOM 1384 CB SER A 91 12.872 21.499 19.912 1.00 0.00 C ATOM 1385 OG SER A 91 12.125 21.530 21.117 1.00 0.00 O ATOM 0 H SER A 91 11.574 20.192 18.195 1.00 0.00 H new ATOM 0 HA SER A 91 11.450 22.928 19.165 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.115 20.467 19.657 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.817 22.023 20.053 1.00 0.00 H new ATOM 0 HG SER A 91 12.644 21.111 21.835 1.00 0.00 H new ATOM 1391 N GLY A 92 12.669 23.915 17.212 1.00 0.00 N ATOM 1392 CA GLY A 92 13.512 24.599 16.249 1.00 0.00 C ATOM 1393 C GLY A 92 12.713 25.246 15.135 1.00 0.00 C ATOM 1394 O GLY A 92 11.521 25.520 15.275 1.00 0.00 O ATOM 0 H GLY A 92 11.783 24.380 17.412 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.099 25.362 16.761 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.218 23.888 15.820 1.00 0.00 H new ATOM 1398 N PRO A 93 13.376 25.501 13.998 1.00 0.00 N ATOM 1399 CA PRO A 93 12.740 26.124 12.833 1.00 0.00 C ATOM 1400 C PRO A 93 11.737 25.196 12.155 1.00 0.00 C ATOM 1401 O PRO A 93 12.007 24.011 11.960 1.00 0.00 O ATOM 1402 CB PRO A 93 13.917 26.413 11.898 1.00 0.00 C ATOM 1403 CG PRO A 93 14.958 25.419 12.281 1.00 0.00 C ATOM 1404 CD PRO A 93 14.798 25.201 13.760 1.00 0.00 C ATOM 0 HA PRO A 93 12.168 27.010 13.107 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.629 26.302 10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 93 14.280 27.433 12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.827 24.486 11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.956 25.789 12.047 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.046 24.178 14.044 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.449 25.859 14.336 1.00 0.00 H new ATOM 1412 N SER A 94 10.579 25.743 11.799 1.00 0.00 N ATOM 1413 CA SER A 94 9.535 24.963 11.145 1.00 0.00 C ATOM 1414 C SER A 94 9.362 25.396 9.693 1.00 0.00 C ATOM 1415 O SER A 94 8.937 26.516 9.414 1.00 0.00 O ATOM 1416 CB SER A 94 8.210 25.115 11.896 1.00 0.00 C ATOM 1417 OG SER A 94 7.133 24.590 11.140 1.00 0.00 O ATOM 0 H SER A 94 10.340 26.723 11.952 1.00 0.00 H new ATOM 0 HA SER A 94 9.835 23.915 11.160 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.271 24.600 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.029 26.168 12.111 1.00 0.00 H new ATOM 0 HG SER A 94 6.298 24.698 11.642 1.00 0.00 H new ATOM 1423 N SER A 95 9.695 24.498 8.771 1.00 0.00 N ATOM 1424 CA SER A 95 9.581 24.787 7.346 1.00 0.00 C ATOM 1425 C SER A 95 8.129 24.695 6.888 1.00 0.00 C ATOM 1426 O SER A 95 7.518 23.627 6.933 1.00 0.00 O ATOM 1427 CB SER A 95 10.445 23.818 6.537 1.00 0.00 C ATOM 1428 OG SER A 95 11.804 23.894 6.933 1.00 0.00 O ATOM 0 H SER A 95 10.046 23.565 8.985 1.00 0.00 H new ATOM 0 HA SER A 95 9.933 25.805 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.080 22.800 6.673 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.359 24.049 5.475 1.00 0.00 H new ATOM 0 HG SER A 95 12.335 23.264 6.402 1.00 0.00 H new ATOM 1434 N GLY A 96 7.581 25.823 6.446 1.00 0.00 N ATOM 1435 CA GLY A 96 6.205 25.849 5.986 1.00 0.00 C ATOM 1436 C GLY A 96 5.485 27.122 6.385 1.00 0.00 C ATOM 1437 O GLY A 96 5.704 28.179 5.794 1.00 0.00 O ATOM 0 H GLY A 96 8.066 26.719 6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.186 25.749 4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.672 24.990 6.395 1.00 0.00 H new TER 1441 GLY A 96