USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 84 ASN : amide:sc= -1.75! C(o=-2.7!,f=-12!) USER MOD Set 1.2: A 85 SER OG : rot -23:sc= -0.908! USER MOD Set 2.1: A 71 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.8!) USER MOD Set 3.1: A 28 THR OG1 : rot -47:sc= -1.91! USER MOD Set 3.2: A 31 SER OG : rot 102:sc= 0.465 USER MOD Single : A 3 GLN : amide:sc=-0.00626 X(o=-0.0063,f=0.42) USER MOD Single : A 7 SER OG : rot 63:sc= 1.19 USER MOD Single : A 13 GLN : amide:sc= -0.41 K(o=-0.41,f=-2.5!) USER MOD Single : A 17 SER OG : rot 79:sc= -0.976! USER MOD Single : A 21 SER OG : rot 34:sc= 0.661 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -146:sc= -4.09! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -145:sc= -15.2! (180deg=-17.7!) USER MOD Single : A 35 SER OG : rot -21:sc= -5.96! USER MOD Single : A 39 GLN : amide:sc= -3.23! C(o=-3.2!,f=-11!) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.109 (180deg=-0.57) USER MOD Single : A 49 SER OG : rot -44:sc= 0.732 USER MOD Single : A 52 SER OG : rot 180:sc= -0.281 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.851 USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= -0.102 (180deg=-0.109) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0336 K(o=-0.034,f=-2.4!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -7.3! C(o=-7.3!,f=-14!) USER MOD Single : A 78 THR OG1 : rot 134:sc= -1.64 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -111:sc= -23.4! (180deg=-27.4!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -145:sc= -1.03! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 30:sc= -2.08! USER MOD Single : A 109 GLN : amide:sc=-0.00251 X(o=-0.0025,f=-0.26) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.418 10.858 -12.762 1.00 0.00 N ATOM 11 CA VAL A 2 -11.496 9.726 -12.460 1.00 0.00 C ATOM 12 C VAL A 2 -12.259 8.396 -12.575 1.00 0.00 C ATOM 13 O VAL A 2 -13.473 8.358 -12.564 1.00 0.00 O ATOM 14 CB VAL A 2 -10.904 9.906 -11.043 1.00 0.00 C ATOM 15 CG1 VAL A 2 -11.724 9.130 -10.003 1.00 0.00 C ATOM 16 CG2 VAL A 2 -9.453 9.403 -11.030 1.00 0.00 C ATOM 0 HA VAL A 2 -10.675 9.714 -13.177 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.935 10.965 -10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.287 9.273 -9.015 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.751 9.496 -10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.717 8.069 -10.253 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.033 9.529 -10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.431 8.348 -11.302 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.863 9.975 -11.746 1.00 0.00 H new ATOM 17 N GLN A 3 -11.545 7.311 -12.682 1.00 0.00 N ATOM 18 CA GLN A 3 -12.196 5.967 -12.800 1.00 0.00 C ATOM 19 C GLN A 3 -11.087 4.924 -12.730 1.00 0.00 C ATOM 20 O GLN A 3 -10.322 4.778 -13.657 1.00 0.00 O ATOM 21 CB GLN A 3 -12.917 5.857 -14.147 1.00 0.00 C ATOM 22 CG GLN A 3 -14.411 6.128 -13.959 1.00 0.00 C ATOM 23 CD GLN A 3 -14.902 7.057 -15.073 1.00 0.00 C ATOM 24 OE1 GLN A 3 -14.526 8.211 -15.127 1.00 0.00 O ATOM 25 NE2 GLN A 3 -15.728 6.599 -15.973 1.00 0.00 N ATOM 0 H GLN A 3 -10.525 7.293 -12.693 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.926 5.818 -12.004 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.495 6.570 -14.855 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.769 4.863 -14.569 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.968 5.191 -13.980 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.590 6.583 -12.985 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.044 5.630 -15.929 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.057 7.210 -16.721 1.00 0.00 H new ATOM 26 N LEU A 4 -10.942 4.235 -11.625 1.00 0.00 N ATOM 27 CA LEU A 4 -9.812 3.272 -11.529 1.00 0.00 C ATOM 28 C LEU A 4 -10.132 2.079 -10.628 1.00 0.00 C ATOM 29 O LEU A 4 -11.213 1.964 -10.083 1.00 0.00 O ATOM 30 CB LEU A 4 -8.595 4.001 -10.975 1.00 0.00 C ATOM 31 CG LEU A 4 -8.991 5.113 -9.997 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.702 6.267 -10.703 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.862 4.569 -8.865 1.00 0.00 C ATOM 0 H LEU A 4 -11.545 4.297 -10.804 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.621 2.883 -12.529 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.944 3.288 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.022 4.428 -11.798 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.067 5.501 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.965 7.033 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.041 6.695 -11.456 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.608 5.897 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.127 5.381 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.770 4.133 -9.282 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.311 3.804 -8.317 1.00 0.00 H new ATOM 34 N VAL A 5 -9.179 1.184 -10.476 1.00 0.00 N ATOM 35 CA VAL A 5 -9.406 -0.020 -9.616 1.00 0.00 C ATOM 36 C VAL A 5 -8.166 -0.942 -9.651 1.00 0.00 C ATOM 37 O VAL A 5 -7.834 -1.514 -10.668 1.00 0.00 O ATOM 38 CB VAL A 5 -10.660 -0.761 -10.123 1.00 0.00 C ATOM 39 CG1 VAL A 5 -10.292 -1.837 -11.152 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.380 -1.415 -8.943 1.00 0.00 C ATOM 0 H VAL A 5 -8.258 1.238 -10.910 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.563 0.285 -8.581 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.313 -0.033 -10.605 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.197 -2.342 -11.490 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.796 -1.371 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.621 -2.564 -10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.266 -1.938 -9.302 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.711 -2.125 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.677 -0.648 -8.228 1.00 0.00 H new ATOM 41 N GLU A 6 -7.482 -1.081 -8.537 1.00 0.00 N ATOM 42 CA GLU A 6 -6.258 -1.956 -8.479 1.00 0.00 C ATOM 43 C GLU A 6 -6.452 -3.217 -9.328 1.00 0.00 C ATOM 44 O GLU A 6 -7.558 -3.574 -9.685 1.00 0.00 O ATOM 45 CB GLU A 6 -6.001 -2.375 -7.027 1.00 0.00 C ATOM 46 CG GLU A 6 -7.325 -2.434 -6.261 1.00 0.00 C ATOM 47 CD GLU A 6 -8.366 -3.185 -7.094 1.00 0.00 C ATOM 48 OE1 GLU A 6 -8.269 -4.398 -7.174 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.241 -2.533 -7.641 1.00 0.00 O ATOM 0 H GLU A 6 -7.720 -0.623 -7.657 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.411 -1.391 -8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.512 -3.349 -7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.325 -1.666 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.181 -2.934 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.677 -1.425 -6.044 1.00 0.00 H new ATOM 50 N SER A 7 -5.382 -3.906 -9.650 1.00 0.00 N ATOM 51 CA SER A 7 -5.520 -5.141 -10.469 1.00 0.00 C ATOM 52 C SER A 7 -4.136 -5.736 -10.731 1.00 0.00 C ATOM 53 O SER A 7 -3.157 -5.024 -10.850 1.00 0.00 O ATOM 54 CB SER A 7 -6.185 -4.795 -11.802 1.00 0.00 C ATOM 55 OG SER A 7 -7.594 -4.929 -11.674 1.00 0.00 O ATOM 0 H SER A 7 -4.428 -3.665 -9.381 1.00 0.00 H new ATOM 0 HA SER A 7 -6.132 -5.866 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.930 -3.776 -12.095 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.816 -5.454 -12.588 1.00 0.00 H new ATOM 0 HG SER A 7 -7.926 -4.283 -11.016 1.00 0.00 H new ATOM 56 N GLY A 8 -4.042 -7.034 -10.821 1.00 0.00 N ATOM 57 CA GLY A 8 -2.717 -7.665 -11.075 1.00 0.00 C ATOM 58 C GLY A 8 -2.719 -9.105 -10.564 1.00 0.00 C ATOM 59 O GLY A 8 -3.415 -9.957 -11.078 1.00 0.00 O ATOM 0 H GLY A 8 -4.823 -7.683 -10.730 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.496 -7.649 -12.142 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.932 -7.095 -10.578 1.00 0.00 H new ATOM 60 N GLY A 9 -1.940 -9.382 -9.553 1.00 0.00 N ATOM 61 CA GLY A 9 -1.891 -10.768 -9.005 1.00 0.00 C ATOM 62 C GLY A 9 -0.633 -11.473 -9.518 1.00 0.00 C ATOM 63 O GLY A 9 -0.693 -12.300 -10.407 1.00 0.00 O ATOM 0 H GLY A 9 -1.335 -8.708 -9.083 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.887 -10.740 -7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.780 -11.322 -9.306 1.00 0.00 H new ATOM 64 N GLY A 10 0.506 -11.152 -8.967 1.00 0.00 N ATOM 65 CA GLY A 10 1.770 -11.800 -9.424 1.00 0.00 C ATOM 66 C GLY A 10 2.315 -12.700 -8.305 1.00 0.00 C ATOM 67 O GLY A 10 1.729 -12.808 -7.244 1.00 0.00 O ATOM 0 H GLY A 10 0.617 -10.468 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.586 -12.389 -10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.507 -11.041 -9.686 1.00 0.00 H new ATOM 68 N LEU A 11 3.436 -13.341 -8.528 1.00 0.00 N ATOM 69 CA LEU A 11 4.024 -14.222 -7.470 1.00 0.00 C ATOM 70 C LEU A 11 5.327 -13.582 -6.980 1.00 0.00 C ATOM 71 O LEU A 11 5.976 -12.862 -7.713 1.00 0.00 O ATOM 72 CB LEU A 11 4.312 -15.612 -8.047 1.00 0.00 C ATOM 73 CG LEU A 11 3.042 -16.173 -8.692 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.381 -16.771 -10.057 1.00 0.00 C ATOM 75 CD2 LEU A 11 2.451 -17.262 -7.793 1.00 0.00 C ATOM 0 H LEU A 11 3.969 -13.293 -9.396 1.00 0.00 H new ATOM 0 HA LEU A 11 3.324 -14.329 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.111 -15.552 -8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.657 -16.280 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 11 2.316 -15.370 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.476 -17.170 -10.515 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.801 -15.997 -10.699 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.108 -17.573 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.547 -17.662 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.178 -18.064 -7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.206 -16.837 -6.820 1.00 0.00 H new ATOM 76 N VAL A 12 5.715 -13.801 -5.748 1.00 0.00 N ATOM 77 CA VAL A 12 6.967 -13.151 -5.260 1.00 0.00 C ATOM 78 C VAL A 12 7.701 -14.030 -4.251 1.00 0.00 C ATOM 79 O VAL A 12 7.868 -13.656 -3.106 1.00 0.00 O ATOM 80 CB VAL A 12 6.635 -11.822 -4.584 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.677 -10.695 -5.616 1.00 0.00 C ATOM 82 CG2 VAL A 12 5.240 -11.903 -3.961 1.00 0.00 C ATOM 0 H VAL A 12 5.229 -14.390 -5.072 1.00 0.00 H new ATOM 0 HA VAL A 12 7.609 -12.993 -6.127 1.00 0.00 H new ATOM 0 HB VAL A 12 7.368 -11.618 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.440 -9.748 -5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.674 -10.639 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.947 -10.893 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.002 -10.955 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.505 -12.109 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.218 -12.703 -3.221 1.00 0.00 H new ATOM 83 N GLN A 13 8.180 -15.165 -4.664 1.00 0.00 N ATOM 84 CA GLN A 13 8.953 -16.021 -3.718 1.00 0.00 C ATOM 85 C GLN A 13 10.037 -15.131 -3.091 1.00 0.00 C ATOM 86 O GLN A 13 10.119 -13.965 -3.418 1.00 0.00 O ATOM 87 CB GLN A 13 9.597 -17.173 -4.497 1.00 0.00 C ATOM 88 CG GLN A 13 9.091 -18.511 -3.951 1.00 0.00 C ATOM 89 CD GLN A 13 10.080 -19.619 -4.321 1.00 0.00 C ATOM 90 OE1 GLN A 13 11.062 -19.374 -4.992 1.00 0.00 O ATOM 91 NE2 GLN A 13 9.860 -20.839 -3.910 1.00 0.00 N ATOM 0 H GLN A 13 8.073 -15.539 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 13 8.313 -16.444 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.357 -17.087 -5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 13 10.682 -17.121 -4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.979 -18.455 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.107 -18.735 -4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.036 -21.046 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.513 -21.584 -4.153 1.00 0.00 H new ATOM 92 N PRO A 14 10.850 -15.675 -2.226 1.00 0.00 N ATOM 93 CA PRO A 14 11.914 -14.884 -1.590 1.00 0.00 C ATOM 94 C PRO A 14 12.956 -14.490 -2.631 1.00 0.00 C ATOM 95 O PRO A 14 13.711 -15.305 -3.124 1.00 0.00 O ATOM 96 CB PRO A 14 12.472 -15.814 -0.509 1.00 0.00 C ATOM 97 CG PRO A 14 12.069 -17.244 -0.928 1.00 0.00 C ATOM 98 CD PRO A 14 10.816 -17.092 -1.813 1.00 0.00 C ATOM 0 HA PRO A 14 11.571 -13.945 -1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.555 -15.720 -0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.063 -15.564 0.470 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.876 -17.732 -1.475 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.857 -17.861 -0.055 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.850 -17.761 -2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.905 -17.327 -1.262 1.00 0.00 H new ATOM 99 N GLY A 15 12.966 -13.238 -2.990 1.00 0.00 N ATOM 100 CA GLY A 15 13.914 -12.758 -4.031 1.00 0.00 C ATOM 101 C GLY A 15 13.185 -12.821 -5.370 1.00 0.00 C ATOM 102 O GLY A 15 13.784 -12.930 -6.421 1.00 0.00 O ATOM 0 H GLY A 15 12.353 -12.521 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.237 -11.739 -3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.810 -13.379 -4.051 1.00 0.00 H new ATOM 103 N GLY A 16 11.878 -12.775 -5.322 1.00 0.00 N ATOM 104 CA GLY A 16 11.069 -12.855 -6.567 1.00 0.00 C ATOM 105 C GLY A 16 10.742 -11.452 -7.087 1.00 0.00 C ATOM 106 O GLY A 16 11.613 -10.625 -7.275 1.00 0.00 O ATOM 0 H GLY A 16 11.335 -12.685 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.616 -13.413 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.146 -13.401 -6.373 1.00 0.00 H new ATOM 107 N SER A 17 9.485 -11.192 -7.328 1.00 0.00 N ATOM 108 CA SER A 17 9.064 -9.858 -7.848 1.00 0.00 C ATOM 109 C SER A 17 7.590 -9.941 -8.245 1.00 0.00 C ATOM 110 O SER A 17 7.118 -10.979 -8.667 1.00 0.00 O ATOM 111 CB SER A 17 9.900 -9.498 -9.076 1.00 0.00 C ATOM 112 OG SER A 17 11.045 -8.762 -8.668 1.00 0.00 O ATOM 0 H SER A 17 8.723 -11.855 -7.185 1.00 0.00 H new ATOM 0 HA SER A 17 9.209 -9.095 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.204 -10.404 -9.601 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.305 -8.909 -9.775 1.00 0.00 H new ATOM 0 HG SER A 17 11.718 -9.377 -8.308 1.00 0.00 H new ATOM 113 N LEU A 18 6.849 -8.874 -8.121 1.00 0.00 N ATOM 114 CA LEU A 18 5.414 -8.949 -8.504 1.00 0.00 C ATOM 115 C LEU A 18 5.087 -7.938 -9.581 1.00 0.00 C ATOM 116 O LEU A 18 5.833 -7.013 -9.833 1.00 0.00 O ATOM 117 CB LEU A 18 4.522 -8.658 -7.314 1.00 0.00 C ATOM 118 CG LEU A 18 3.411 -9.696 -7.292 1.00 0.00 C ATOM 119 CD1 LEU A 18 3.865 -10.884 -6.460 1.00 0.00 C ATOM 120 CD2 LEU A 18 2.144 -9.091 -6.691 1.00 0.00 C ATOM 0 H LEU A 18 7.169 -7.969 -7.777 1.00 0.00 H new ATOM 0 HA LEU A 18 5.236 -9.960 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.097 -8.696 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.104 -7.654 -7.388 1.00 0.00 H new ATOM 0 HG LEU A 18 3.192 -10.022 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.076 -11.635 -6.437 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.764 -11.315 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.082 -10.555 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.353 -9.841 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.346 -8.761 -5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.827 -8.239 -7.292 1.00 0.00 H new ATOM 121 N ARG A 19 3.955 -8.107 -10.204 1.00 0.00 N ATOM 122 CA ARG A 19 3.543 -7.164 -11.265 1.00 0.00 C ATOM 123 C ARG A 19 2.040 -6.891 -11.160 1.00 0.00 C ATOM 124 O ARG A 19 1.229 -7.592 -11.733 1.00 0.00 O ATOM 125 CB ARG A 19 3.865 -7.774 -12.623 1.00 0.00 C ATOM 126 CG ARG A 19 3.283 -6.898 -13.733 1.00 0.00 C ATOM 127 CD ARG A 19 3.299 -7.668 -15.055 1.00 0.00 C ATOM 128 NE ARG A 19 2.788 -9.050 -14.833 1.00 0.00 N ATOM 129 CZ ARG A 19 1.520 -9.311 -14.996 1.00 0.00 C ATOM 130 NH1 ARG A 19 0.998 -9.284 -16.191 1.00 0.00 N ATOM 131 NH2 ARG A 19 0.774 -9.599 -13.965 1.00 0.00 N ATOM 0 H ARG A 19 3.297 -8.864 -10.019 1.00 0.00 H new ATOM 0 HA ARG A 19 4.081 -6.223 -11.150 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.944 -7.863 -12.745 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.452 -8.781 -12.687 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.263 -6.606 -13.483 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.863 -5.980 -13.828 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.683 -7.156 -15.794 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.312 -7.704 -15.455 1.00 0.00 H new ATOM 0 HE ARG A 19 3.430 -9.792 -14.554 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.581 -9.059 -16.997 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.007 -9.488 -16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.182 -9.620 -13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.217 -9.803 -14.094 1.00 0.00 H new ATOM 132 N LEU A 20 1.663 -5.872 -10.437 1.00 0.00 N ATOM 133 CA LEU A 20 0.209 -5.550 -10.299 1.00 0.00 C ATOM 134 C LEU A 20 -0.058 -4.182 -10.929 1.00 0.00 C ATOM 135 O LEU A 20 0.615 -3.792 -11.863 1.00 0.00 O ATOM 136 CB LEU A 20 -0.178 -5.550 -8.820 1.00 0.00 C ATOM 137 CG LEU A 20 0.667 -6.584 -8.078 1.00 0.00 C ATOM 138 CD1 LEU A 20 2.043 -5.992 -7.770 1.00 0.00 C ATOM 139 CD2 LEU A 20 -0.030 -6.965 -6.772 1.00 0.00 C ATOM 0 H LEU A 20 2.295 -5.248 -9.936 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.393 -6.301 -10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.022 -4.560 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.237 -5.782 -8.709 1.00 0.00 H new ATOM 0 HG LEU A 20 0.786 -7.472 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.646 -6.730 -7.241 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.539 -5.719 -8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.926 -5.105 -7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.571 -7.703 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.148 -6.078 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.011 -7.387 -6.993 1.00 0.00 H new ATOM 140 N SER A 21 -1.033 -3.447 -10.460 1.00 0.00 N ATOM 141 CA SER A 21 -1.295 -2.124 -11.092 1.00 0.00 C ATOM 142 C SER A 21 -2.533 -1.432 -10.506 1.00 0.00 C ATOM 143 O SER A 21 -3.176 -1.915 -9.596 1.00 0.00 O ATOM 144 CB SER A 21 -1.521 -2.344 -12.582 1.00 0.00 C ATOM 145 OG SER A 21 -2.063 -3.642 -12.794 1.00 0.00 O ATOM 0 H SER A 21 -1.646 -3.699 -9.684 1.00 0.00 H new ATOM 0 HA SER A 21 -0.435 -1.482 -10.902 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.200 -1.587 -12.973 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.580 -2.238 -13.123 1.00 0.00 H new ATOM 0 HG SER A 21 -2.651 -3.877 -12.046 1.00 0.00 H new ATOM 146 N CYS A 22 -2.859 -0.291 -11.063 1.00 0.00 N ATOM 147 CA CYS A 22 -4.041 0.497 -10.622 1.00 0.00 C ATOM 148 C CYS A 22 -4.846 0.853 -11.863 1.00 0.00 C ATOM 149 O CYS A 22 -4.414 1.657 -12.672 1.00 0.00 O ATOM 150 CB CYS A 22 -3.583 1.799 -9.963 1.00 0.00 C ATOM 151 SG CYS A 22 -3.288 1.517 -8.215 1.00 0.00 S ATOM 0 H CYS A 22 -2.335 0.135 -11.828 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.630 -0.082 -9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.673 2.161 -10.442 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.341 2.571 -10.094 1.00 0.00 H new ATOM 152 N ALA A 23 -6.005 0.282 -12.029 1.00 0.00 N ATOM 153 CA ALA A 23 -6.816 0.632 -13.221 1.00 0.00 C ATOM 154 C ALA A 23 -6.981 2.144 -13.194 1.00 0.00 C ATOM 155 O ALA A 23 -6.774 2.757 -12.170 1.00 0.00 O ATOM 156 CB ALA A 23 -8.184 -0.051 -13.151 1.00 0.00 C ATOM 0 H ALA A 23 -6.420 -0.404 -11.398 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.333 0.301 -14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.769 0.214 -14.032 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.050 -1.132 -13.117 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.709 0.278 -12.254 1.00 0.00 H new ATOM 157 N ALA A 24 -7.338 2.761 -14.285 1.00 0.00 N ATOM 158 CA ALA A 24 -7.482 4.242 -14.259 1.00 0.00 C ATOM 159 C ALA A 24 -7.720 4.788 -15.670 1.00 0.00 C ATOM 160 O ALA A 24 -7.062 4.406 -16.629 1.00 0.00 O ATOM 161 CB ALA A 24 -6.205 4.858 -13.687 1.00 0.00 C ATOM 0 H ALA A 24 -7.534 2.313 -15.180 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.338 4.502 -13.637 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.303 5.943 -13.665 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.044 4.487 -12.675 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.356 4.583 -14.313 1.00 0.00 H new ATOM 162 N SER A 25 -8.653 5.695 -15.786 1.00 0.00 N ATOM 163 CA SER A 25 -8.967 6.314 -17.104 1.00 0.00 C ATOM 164 C SER A 25 -9.588 7.689 -16.850 1.00 0.00 C ATOM 165 O SER A 25 -9.724 8.111 -15.718 1.00 0.00 O ATOM 166 CB SER A 25 -9.959 5.435 -17.867 1.00 0.00 C ATOM 167 OG SER A 25 -9.524 5.295 -19.213 1.00 0.00 O ATOM 0 H SER A 25 -9.219 6.038 -15.010 1.00 0.00 H new ATOM 0 HA SER A 25 -8.059 6.413 -17.698 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.034 4.456 -17.393 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.954 5.880 -17.839 1.00 0.00 H new ATOM 0 HG SER A 25 -10.157 4.731 -19.704 1.00 0.00 H new ATOM 168 N GLY A 26 -9.968 8.393 -17.877 1.00 0.00 N ATOM 169 CA GLY A 26 -10.576 9.738 -17.659 1.00 0.00 C ATOM 170 C GLY A 26 -9.739 10.511 -16.639 1.00 0.00 C ATOM 171 O GLY A 26 -10.246 11.313 -15.881 1.00 0.00 O ATOM 0 H GLY A 26 -9.886 8.101 -18.851 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.621 10.286 -18.600 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.600 9.633 -17.302 1.00 0.00 H new ATOM 172 N PHE A 27 -8.456 10.272 -16.613 1.00 0.00 N ATOM 173 CA PHE A 27 -7.578 10.988 -15.642 1.00 0.00 C ATOM 174 C PHE A 27 -6.137 10.477 -15.772 1.00 0.00 C ATOM 175 O PHE A 27 -5.207 11.170 -15.435 1.00 0.00 O ATOM 176 CB PHE A 27 -8.110 10.762 -14.203 1.00 0.00 C ATOM 177 CG PHE A 27 -7.157 9.908 -13.376 1.00 0.00 C ATOM 178 CD1 PHE A 27 -5.893 10.402 -13.017 1.00 0.00 C ATOM 179 CD2 PHE A 27 -7.541 8.622 -12.974 1.00 0.00 C ATOM 180 CE1 PHE A 27 -5.021 9.618 -12.262 1.00 0.00 C ATOM 181 CE2 PHE A 27 -6.666 7.834 -12.212 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.406 8.328 -11.855 1.00 0.00 C ATOM 0 H PHE A 27 -7.976 9.610 -17.223 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.586 12.057 -15.857 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.254 11.725 -13.713 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.086 10.278 -14.248 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.595 11.393 -13.327 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.511 8.237 -13.251 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.049 10.002 -11.990 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.965 6.844 -11.900 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.732 7.721 -11.269 1.00 0.00 H new ATOM 183 N THR A 28 -5.964 9.261 -16.221 1.00 0.00 N ATOM 184 CA THR A 28 -4.598 8.673 -16.346 1.00 0.00 C ATOM 185 C THR A 28 -4.110 8.256 -14.951 1.00 0.00 C ATOM 186 O THR A 28 -4.825 7.593 -14.227 1.00 0.00 O ATOM 187 CB THR A 28 -3.624 9.666 -17.007 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.177 10.626 -16.065 1.00 0.00 O ATOM 189 CG2 THR A 28 -4.324 10.375 -18.168 1.00 0.00 C ATOM 0 H THR A 28 -6.722 8.643 -16.510 1.00 0.00 H new ATOM 0 HA THR A 28 -4.638 7.795 -16.990 1.00 0.00 H new ATOM 0 HB THR A 28 -2.761 9.114 -17.380 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.944 10.978 -15.567 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.634 11.077 -18.635 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.645 9.638 -18.904 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.193 10.915 -17.793 1.00 0.00 H new ATOM 190 N PHE A 29 -2.903 8.587 -14.569 1.00 0.00 N ATOM 191 CA PHE A 29 -2.406 8.146 -13.226 1.00 0.00 C ATOM 192 C PHE A 29 -1.291 9.082 -12.761 1.00 0.00 C ATOM 193 O PHE A 29 -1.201 9.441 -11.604 1.00 0.00 O ATOM 194 CB PHE A 29 -1.843 6.729 -13.343 1.00 0.00 C ATOM 195 CG PHE A 29 -2.456 6.076 -14.548 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.034 6.441 -15.834 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.485 5.151 -14.386 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.643 5.873 -16.947 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.086 4.585 -15.500 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.667 4.948 -16.781 1.00 0.00 C ATOM 0 H PHE A 29 -2.245 9.137 -15.120 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.227 8.167 -12.509 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.758 6.758 -13.438 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.069 6.155 -12.444 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.239 7.161 -15.960 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.814 4.875 -13.395 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.321 6.150 -17.940 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.879 3.862 -15.376 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.140 4.508 -17.647 1.00 0.00 H new ATOM 201 N SER A 30 -0.442 9.474 -13.668 1.00 0.00 N ATOM 202 CA SER A 30 0.678 10.385 -13.316 1.00 0.00 C ATOM 203 C SER A 30 0.274 11.805 -13.690 1.00 0.00 C ATOM 204 O SER A 30 0.737 12.767 -13.109 1.00 0.00 O ATOM 205 CB SER A 30 1.929 9.980 -14.093 1.00 0.00 C ATOM 206 OG SER A 30 2.908 9.499 -13.181 1.00 0.00 O ATOM 0 H SER A 30 -0.478 9.198 -14.649 1.00 0.00 H new ATOM 0 HA SER A 30 0.893 10.327 -12.249 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.685 9.209 -14.824 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.319 10.833 -14.648 1.00 0.00 H new ATOM 0 HG SER A 30 3.802 9.740 -13.503 1.00 0.00 H new ATOM 207 N SER A 31 -0.601 11.946 -14.647 1.00 0.00 N ATOM 208 CA SER A 31 -1.044 13.313 -15.031 1.00 0.00 C ATOM 209 C SER A 31 -1.515 14.022 -13.766 1.00 0.00 C ATOM 210 O SER A 31 -1.141 15.147 -13.497 1.00 0.00 O ATOM 211 CB SER A 31 -2.190 13.243 -16.041 1.00 0.00 C ATOM 212 OG SER A 31 -1.719 12.646 -17.242 1.00 0.00 O ATOM 0 H SER A 31 -1.024 11.182 -15.174 1.00 0.00 H new ATOM 0 HA SER A 31 -0.219 13.855 -15.494 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.016 12.662 -15.632 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.573 14.243 -16.244 1.00 0.00 H new ATOM 0 HG SER A 31 -2.013 11.712 -17.280 1.00 0.00 H new ATOM 213 N TYR A 32 -2.318 13.363 -12.969 1.00 0.00 N ATOM 214 CA TYR A 32 -2.788 13.996 -11.706 1.00 0.00 C ATOM 215 C TYR A 32 -2.106 13.310 -10.523 1.00 0.00 C ATOM 216 O TYR A 32 -2.494 13.476 -9.384 1.00 0.00 O ATOM 217 CB TYR A 32 -4.306 13.853 -11.594 1.00 0.00 C ATOM 218 CG TYR A 32 -4.926 14.262 -12.904 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.809 13.420 -14.014 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.603 15.482 -13.014 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.372 13.798 -15.239 1.00 0.00 C ATOM 222 CE2 TYR A 32 -6.169 15.859 -14.238 1.00 0.00 C ATOM 223 CZ TYR A 32 -6.052 15.017 -15.351 1.00 0.00 C ATOM 224 OH TYR A 32 -6.605 15.390 -16.558 1.00 0.00 O ATOM 0 H TYR A 32 -2.665 12.419 -13.140 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.535 15.056 -11.705 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.572 12.823 -11.355 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.686 14.477 -10.785 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.285 12.480 -13.927 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.689 16.132 -12.156 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.282 13.149 -16.098 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.695 16.798 -14.324 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.041 16.262 -16.462 1.00 0.00 H new ATOM 225 N ALA A 33 -1.084 12.545 -10.792 1.00 0.00 N ATOM 226 CA ALA A 33 -0.360 11.849 -9.696 1.00 0.00 C ATOM 227 C ALA A 33 -1.342 10.998 -8.897 1.00 0.00 C ATOM 228 O ALA A 33 -2.533 11.167 -8.994 1.00 0.00 O ATOM 229 CB ALA A 33 0.278 12.884 -8.774 1.00 0.00 C ATOM 0 H ALA A 33 -0.719 12.373 -11.729 1.00 0.00 H new ATOM 0 HA ALA A 33 0.414 11.210 -10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.810 12.376 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.979 13.495 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.498 13.521 -8.350 1.00 0.00 H new ATOM 230 N MET A 34 -0.854 10.083 -8.111 1.00 0.00 N ATOM 231 CA MET A 34 -1.771 9.234 -7.314 1.00 0.00 C ATOM 232 C MET A 34 -0.952 8.418 -6.321 1.00 0.00 C ATOM 233 O MET A 34 0.150 8.777 -5.955 1.00 0.00 O ATOM 234 CB MET A 34 -2.530 8.286 -8.245 1.00 0.00 C ATOM 235 CG MET A 34 -1.572 7.219 -8.779 1.00 0.00 C ATOM 236 SD MET A 34 -2.446 6.164 -9.961 1.00 0.00 S ATOM 237 CE MET A 34 -2.127 4.572 -9.155 1.00 0.00 C ATOM 0 H MET A 34 0.140 9.888 -7.987 1.00 0.00 H new ATOM 0 HA MET A 34 -2.484 9.863 -6.780 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.354 7.815 -7.709 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.967 8.845 -9.073 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.716 7.691 -9.260 1.00 0.00 H new ATOM 0 HG3 MET A 34 -1.184 6.618 -7.956 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.998 3.800 -9.913 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.221 4.644 -8.553 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.970 4.314 -8.514 1.00 0.00 H new ATOM 238 N SER A 35 -1.487 7.319 -5.895 1.00 0.00 N ATOM 239 CA SER A 35 -0.763 6.451 -4.933 1.00 0.00 C ATOM 240 C SER A 35 -1.517 5.156 -4.840 1.00 0.00 C ATOM 241 O SER A 35 -2.647 5.078 -5.282 1.00 0.00 O ATOM 242 CB SER A 35 -0.735 7.106 -3.566 1.00 0.00 C ATOM 243 OG SER A 35 -0.235 8.431 -3.680 1.00 0.00 O ATOM 0 H SER A 35 -2.407 6.978 -6.174 1.00 0.00 H new ATOM 0 HA SER A 35 0.262 6.288 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.738 7.121 -3.139 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.108 6.527 -2.888 1.00 0.00 H new ATOM 0 HG SER A 35 0.279 8.517 -4.510 1.00 0.00 H new ATOM 244 N TRP A 36 -0.953 4.112 -4.298 1.00 0.00 N ATOM 245 CA TRP A 36 -1.777 2.894 -4.284 1.00 0.00 C ATOM 246 C TRP A 36 -1.147 1.693 -3.552 1.00 0.00 C ATOM 247 O TRP A 36 0.063 1.595 -3.337 1.00 0.00 O ATOM 248 CB TRP A 36 -2.095 2.576 -5.741 1.00 0.00 C ATOM 249 CG TRP A 36 -1.124 1.639 -6.324 1.00 0.00 C ATOM 250 CD1 TRP A 36 0.058 1.973 -6.878 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.280 0.214 -6.481 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.635 0.841 -7.373 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.149 -0.287 -7.144 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.295 -0.684 -6.102 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.030 -1.649 -7.432 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.175 -2.047 -6.380 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.047 -2.531 -7.043 1.00 0.00 C ATOM 0 H TRP A 36 -0.019 4.054 -3.892 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.679 3.083 -3.703 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.096 2.150 -5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.101 3.499 -6.321 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.477 2.967 -6.922 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.534 0.823 -7.854 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.173 -0.316 -5.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.841 -2.020 -7.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.958 -2.729 -6.081 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.958 -3.586 -7.257 1.00 0.00 H new ATOM 258 N VAL A 37 -2.048 0.802 -3.168 1.00 0.00 N ATOM 259 CA VAL A 37 -1.741 -0.455 -2.416 1.00 0.00 C ATOM 260 C VAL A 37 -2.289 -0.276 -0.976 1.00 0.00 C ATOM 261 O VAL A 37 -3.014 0.656 -0.768 1.00 0.00 O ATOM 262 CB VAL A 37 -0.237 -0.769 -2.442 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.007 -2.115 -1.788 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.253 -0.863 -3.883 1.00 0.00 C ATOM 0 H VAL A 37 -3.043 0.914 -3.364 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.222 -1.314 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 37 0.299 0.022 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.058 -2.349 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.359 -2.084 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.554 -2.883 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.320 -1.086 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.287 -1.656 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.077 0.086 -4.390 1.00 0.00 H new ATOM 265 N ARG A 38 -1.970 -1.146 -0.003 1.00 0.00 N ATOM 266 CA ARG A 38 -2.461 -1.003 1.425 1.00 0.00 C ATOM 267 C ARG A 38 -3.424 -2.122 1.877 1.00 0.00 C ATOM 268 O ARG A 38 -4.623 -1.931 1.938 1.00 0.00 O ATOM 269 CB ARG A 38 -3.126 0.356 1.710 1.00 0.00 C ATOM 270 CG ARG A 38 -2.049 1.393 2.055 1.00 0.00 C ATOM 271 CD ARG A 38 -1.621 2.155 0.799 1.00 0.00 C ATOM 272 NE ARG A 38 -2.800 2.854 0.218 1.00 0.00 N ATOM 273 CZ ARG A 38 -2.634 3.945 -0.478 1.00 0.00 C ATOM 274 NH1 ARG A 38 -1.610 4.057 -1.278 1.00 0.00 N ATOM 275 NH2 ARG A 38 -3.491 4.923 -0.372 1.00 0.00 N ATOM 0 H ARG A 38 -1.377 -1.962 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.543 -1.083 2.007 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.695 0.683 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.832 0.261 2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.432 2.091 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.186 0.897 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.842 2.876 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.197 1.466 0.069 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.738 2.480 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.940 3.292 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.479 4.909 -1.823 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.291 4.835 0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.361 5.776 -0.916 1.00 0.00 H new ATOM 276 N GLN A 39 -2.897 -3.260 2.279 1.00 0.00 N ATOM 277 CA GLN A 39 -3.759 -4.356 2.821 1.00 0.00 C ATOM 278 C GLN A 39 -2.930 -5.643 2.940 1.00 0.00 C ATOM 279 O GLN A 39 -1.809 -5.701 2.477 1.00 0.00 O ATOM 280 CB GLN A 39 -4.974 -4.559 1.927 1.00 0.00 C ATOM 281 CG GLN A 39 -6.204 -3.979 2.636 1.00 0.00 C ATOM 282 CD GLN A 39 -7.192 -5.100 2.960 1.00 0.00 C ATOM 283 OE1 GLN A 39 -7.042 -6.212 2.496 1.00 0.00 O ATOM 284 NE2 GLN A 39 -8.203 -4.852 3.747 1.00 0.00 N ATOM 0 H GLN A 39 -1.900 -3.474 2.253 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.120 -4.084 3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.824 -4.066 0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.120 -5.620 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.902 -3.472 3.552 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.682 -3.232 2.002 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.329 -3.918 4.137 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.867 -5.592 3.972 1.00 0.00 H new ATOM 285 N ALA A 40 -3.449 -6.665 3.580 1.00 0.00 N ATOM 286 CA ALA A 40 -2.654 -7.919 3.734 1.00 0.00 C ATOM 287 C ALA A 40 -3.466 -8.968 4.516 1.00 0.00 C ATOM 288 O ALA A 40 -4.537 -8.678 5.012 1.00 0.00 O ATOM 289 CB ALA A 40 -1.370 -7.583 4.494 1.00 0.00 C ATOM 0 H ALA A 40 -4.379 -6.683 3.997 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.414 -8.331 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.773 -8.487 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.798 -6.844 3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.623 -7.178 5.474 1.00 0.00 H new ATOM 290 N PRO A 41 -2.920 -10.162 4.600 1.00 0.00 N ATOM 291 CA PRO A 41 -3.554 -11.296 5.316 1.00 0.00 C ATOM 292 C PRO A 41 -3.462 -11.076 6.826 1.00 0.00 C ATOM 293 O PRO A 41 -2.611 -11.634 7.491 1.00 0.00 O ATOM 294 CB PRO A 41 -2.705 -12.504 4.891 1.00 0.00 C ATOM 295 CG PRO A 41 -1.344 -11.933 4.443 1.00 0.00 C ATOM 296 CD PRO A 41 -1.614 -10.490 3.997 1.00 0.00 C ATOM 0 HA PRO A 41 -4.612 -11.420 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.581 -13.204 5.718 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.184 -13.051 4.079 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.622 -11.960 5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.924 -12.521 3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.834 -9.813 4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.645 -10.408 2.911 1.00 0.00 H new ATOM 297 N GLY A 42 -4.306 -10.241 7.373 1.00 0.00 N ATOM 298 CA GLY A 42 -4.225 -9.967 8.838 1.00 0.00 C ATOM 299 C GLY A 42 -2.795 -9.570 9.163 1.00 0.00 C ATOM 300 O GLY A 42 -2.359 -9.618 10.296 1.00 0.00 O ATOM 0 H GLY A 42 -5.042 -9.741 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.914 -9.169 9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.514 -10.850 9.407 1.00 0.00 H new ATOM 301 N LYS A 43 -2.074 -9.149 8.167 1.00 0.00 N ATOM 302 CA LYS A 43 -0.683 -8.710 8.379 1.00 0.00 C ATOM 303 C LYS A 43 -0.696 -7.188 8.370 1.00 0.00 C ATOM 304 O LYS A 43 0.303 -6.539 8.142 1.00 0.00 O ATOM 305 CB LYS A 43 0.191 -9.241 7.236 1.00 0.00 C ATOM 306 CG LYS A 43 1.576 -8.594 7.310 1.00 0.00 C ATOM 307 CD LYS A 43 2.653 -9.670 7.169 1.00 0.00 C ATOM 308 CE LYS A 43 2.987 -10.240 8.550 1.00 0.00 C ATOM 309 NZ LYS A 43 3.723 -9.217 9.347 1.00 0.00 N ATOM 0 H LYS A 43 -2.400 -9.092 7.202 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.281 -9.084 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.280 -10.325 7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.274 -9.020 6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.684 -7.851 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.693 -8.070 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.304 -10.465 6.510 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.548 -9.247 6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.072 -10.529 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.593 -11.140 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.343 -9.692 10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.298 -8.629 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.042 -8.615 9.853 1.00 0.00 H new ATOM 310 N GLU A 44 -1.847 -6.615 8.609 1.00 0.00 N ATOM 311 CA GLU A 44 -1.963 -5.139 8.604 1.00 0.00 C ATOM 312 C GLU A 44 -1.760 -4.650 7.166 1.00 0.00 C ATOM 313 O GLU A 44 -1.353 -5.405 6.306 1.00 0.00 O ATOM 314 CB GLU A 44 -0.921 -4.570 9.576 1.00 0.00 C ATOM 315 CG GLU A 44 0.217 -3.857 8.831 1.00 0.00 C ATOM 316 CD GLU A 44 1.372 -3.592 9.799 1.00 0.00 C ATOM 317 OE1 GLU A 44 1.589 -4.417 10.671 1.00 0.00 O ATOM 318 OE2 GLU A 44 2.019 -2.569 9.651 1.00 0.00 O ATOM 0 H GLU A 44 -2.713 -7.115 8.808 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.944 -4.801 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.403 -3.871 10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.510 -5.377 10.183 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.560 -4.470 7.997 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.142 -2.918 8.410 1.00 0.00 H new ATOM 319 N ARG A 45 -2.059 -3.414 6.884 1.00 0.00 N ATOM 320 CA ARG A 45 -1.898 -2.925 5.485 1.00 0.00 C ATOM 321 C ARG A 45 -0.516 -3.247 4.956 1.00 0.00 C ATOM 322 O ARG A 45 0.282 -3.920 5.578 1.00 0.00 O ATOM 323 CB ARG A 45 -2.054 -1.412 5.409 1.00 0.00 C ATOM 324 CG ARG A 45 -3.452 -1.056 4.912 1.00 0.00 C ATOM 325 CD ARG A 45 -3.860 0.299 5.485 1.00 0.00 C ATOM 326 NE ARG A 45 -3.610 0.308 6.954 1.00 0.00 N ATOM 327 CZ ARG A 45 -3.146 1.383 7.532 1.00 0.00 C ATOM 328 NH1 ARG A 45 -2.073 1.962 7.068 1.00 0.00 N ATOM 329 NH2 ARG A 45 -3.753 1.873 8.578 1.00 0.00 N ATOM 0 H ARG A 45 -2.405 -2.726 7.553 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.668 -3.421 4.894 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.885 -0.971 6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.303 -0.994 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.466 -1.022 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.165 -1.822 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.294 1.096 5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.914 0.490 5.283 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.802 -0.526 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.596 1.575 6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.711 2.802 7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.589 1.416 8.943 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.392 2.713 9.031 1.00 0.00 H new ATOM 330 N GLU A 46 -0.236 -2.738 3.796 1.00 0.00 N ATOM 331 CA GLU A 46 1.077 -2.955 3.169 1.00 0.00 C ATOM 332 C GLU A 46 1.058 -2.274 1.808 1.00 0.00 C ATOM 333 O GLU A 46 0.614 -2.841 0.832 1.00 0.00 O ATOM 334 CB GLU A 46 1.319 -4.449 3.004 1.00 0.00 C ATOM 335 CG GLU A 46 2.780 -4.691 2.622 1.00 0.00 C ATOM 336 CD GLU A 46 3.330 -5.877 3.414 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.794 -6.154 4.474 1.00 0.00 O ATOM 338 OE2 GLU A 46 4.278 -6.486 2.948 1.00 0.00 O ATOM 0 H GLU A 46 -0.881 -2.168 3.248 1.00 0.00 H new ATOM 0 HA GLU A 46 1.875 -2.542 3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.084 -4.971 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.660 -4.852 2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.859 -4.888 1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.372 -3.799 2.826 1.00 0.00 H new ATOM 339 N ILE A 47 1.519 -1.054 1.746 1.00 0.00 N ATOM 340 CA ILE A 47 1.527 -0.320 0.451 1.00 0.00 C ATOM 341 C ILE A 47 2.594 -0.929 -0.441 1.00 0.00 C ATOM 342 O ILE A 47 3.341 -1.798 -0.038 1.00 0.00 O ATOM 343 CB ILE A 47 1.890 1.159 0.693 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.416 2.028 -0.498 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.408 1.288 0.869 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.595 2.451 -1.407 1.00 0.00 C ATOM 0 H ILE A 47 1.891 -0.533 2.540 1.00 0.00 H new ATOM 0 HA ILE A 47 0.543 -0.388 -0.013 1.00 0.00 H new ATOM 0 HB ILE A 47 1.391 1.509 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.686 1.472 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.911 2.917 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.667 2.333 1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.727 0.690 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.910 0.933 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.220 3.059 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.313 3.030 -0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.084 1.562 -1.806 1.00 0.00 H new ATOM 347 N VAL A 48 2.709 -0.436 -1.626 1.00 0.00 N ATOM 348 CA VAL A 48 3.772 -0.925 -2.515 1.00 0.00 C ATOM 349 C VAL A 48 4.330 0.257 -3.285 1.00 0.00 C ATOM 350 O VAL A 48 5.515 0.328 -3.533 1.00 0.00 O ATOM 351 CB VAL A 48 3.266 -1.975 -3.487 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.452 -2.427 -4.335 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.715 -3.171 -2.710 1.00 0.00 C ATOM 0 H VAL A 48 2.109 0.289 -2.019 1.00 0.00 H new ATOM 0 HA VAL A 48 4.544 -1.396 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 48 2.473 -1.567 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.123 -3.184 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.859 -1.573 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.222 -2.847 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.352 -3.924 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.505 -3.600 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.894 -2.843 -2.072 1.00 0.00 H new ATOM 354 N SER A 49 3.520 1.212 -3.666 1.00 0.00 N ATOM 355 CA SER A 49 4.130 2.344 -4.400 1.00 0.00 C ATOM 356 C SER A 49 3.114 3.417 -4.768 1.00 0.00 C ATOM 357 O SER A 49 1.921 3.194 -4.821 1.00 0.00 O ATOM 358 CB SER A 49 4.796 1.814 -5.666 1.00 0.00 C ATOM 359 OG SER A 49 6.193 2.076 -5.610 1.00 0.00 O ATOM 0 H SER A 49 2.513 1.254 -3.508 1.00 0.00 H new ATOM 0 HA SER A 49 4.864 2.809 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.619 0.743 -5.762 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.361 2.289 -6.545 1.00 0.00 H new ATOM 0 HG SER A 49 6.342 2.992 -5.295 1.00 0.00 H new ATOM 360 N ALA A 50 3.614 4.596 -5.024 1.00 0.00 N ATOM 361 CA ALA A 50 2.728 5.733 -5.400 1.00 0.00 C ATOM 362 C ALA A 50 3.549 6.777 -6.167 1.00 0.00 C ATOM 363 O ALA A 50 4.756 6.676 -6.260 1.00 0.00 O ATOM 364 CB ALA A 50 2.152 6.357 -4.128 1.00 0.00 C ATOM 0 H ALA A 50 4.608 4.821 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 50 1.913 5.381 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.502 7.191 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.577 5.608 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.966 6.718 -3.499 1.00 0.00 H new ATOM 365 N VAL A 51 2.911 7.776 -6.719 1.00 0.00 N ATOM 366 CA VAL A 51 3.665 8.819 -7.474 1.00 0.00 C ATOM 367 C VAL A 51 2.901 10.136 -7.401 1.00 0.00 C ATOM 368 O VAL A 51 2.100 10.443 -8.259 1.00 0.00 O ATOM 369 CB VAL A 51 3.795 8.401 -8.939 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.402 8.234 -9.546 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.551 9.485 -9.709 1.00 0.00 C ATOM 0 H VAL A 51 1.901 7.914 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 51 4.657 8.936 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 51 4.338 7.458 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.494 7.936 -10.590 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.855 7.468 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.863 9.179 -9.484 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.646 9.190 -10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.004 10.425 -9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.544 9.613 -9.277 1.00 0.00 H new ATOM 372 N SER A 52 3.126 10.922 -6.387 1.00 0.00 N ATOM 373 CA SER A 52 2.376 12.202 -6.296 1.00 0.00 C ATOM 374 C SER A 52 3.316 13.363 -5.996 1.00 0.00 C ATOM 375 O SER A 52 4.518 13.255 -6.113 1.00 0.00 O ATOM 376 CB SER A 52 1.325 12.101 -5.196 1.00 0.00 C ATOM 377 OG SER A 52 1.958 12.202 -3.926 1.00 0.00 O ATOM 0 H SER A 52 3.785 10.738 -5.630 1.00 0.00 H new ATOM 0 HA SER A 52 1.892 12.387 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.586 12.894 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.791 11.154 -5.274 1.00 0.00 H new ATOM 0 HG SER A 52 1.283 12.139 -3.218 1.00 0.00 H new ATOM 378 N GLY A 53 2.762 14.484 -5.626 1.00 0.00 N ATOM 379 CA GLY A 53 3.603 15.674 -5.327 1.00 0.00 C ATOM 380 C GLY A 53 4.357 16.072 -6.592 1.00 0.00 C ATOM 381 O GLY A 53 5.565 15.964 -6.668 1.00 0.00 O ATOM 0 H GLY A 53 1.758 14.627 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.980 16.500 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.305 15.448 -4.524 1.00 0.00 H new ATOM 382 N SER A 54 3.652 16.516 -7.597 1.00 0.00 N ATOM 383 CA SER A 54 4.334 16.899 -8.861 1.00 0.00 C ATOM 384 C SER A 54 5.130 15.696 -9.359 1.00 0.00 C ATOM 385 O SER A 54 6.060 15.824 -10.131 1.00 0.00 O ATOM 386 CB SER A 54 5.280 18.067 -8.599 1.00 0.00 C ATOM 387 OG SER A 54 5.097 19.053 -9.605 1.00 0.00 O ATOM 0 H SER A 54 2.638 16.629 -7.596 1.00 0.00 H new ATOM 0 HA SER A 54 3.600 17.200 -9.609 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.085 18.494 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.313 17.720 -8.597 1.00 0.00 H new ATOM 0 HG SER A 54 5.702 19.806 -9.439 1.00 0.00 H new ATOM 388 N GLY A 55 4.771 14.525 -8.907 1.00 0.00 N ATOM 389 CA GLY A 55 5.501 13.299 -9.329 1.00 0.00 C ATOM 390 C GLY A 55 6.662 13.055 -8.367 1.00 0.00 C ATOM 391 O GLY A 55 7.000 11.927 -8.065 1.00 0.00 O ATOM 0 H GLY A 55 3.999 14.366 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.828 12.442 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.873 13.414 -10.347 1.00 0.00 H new ATOM 392 N GLY A 56 7.269 14.101 -7.869 1.00 0.00 N ATOM 393 CA GLY A 56 8.395 13.918 -6.914 1.00 0.00 C ATOM 394 C GLY A 56 7.992 12.857 -5.892 1.00 0.00 C ATOM 395 O GLY A 56 8.663 11.859 -5.718 1.00 0.00 O ATOM 0 H GLY A 56 7.033 15.070 -8.083 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.296 13.611 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.625 14.859 -6.414 1.00 0.00 H new ATOM 396 N SER A 57 6.888 13.059 -5.224 1.00 0.00 N ATOM 397 CA SER A 57 6.430 12.054 -4.226 1.00 0.00 C ATOM 398 C SER A 57 6.417 10.673 -4.880 1.00 0.00 C ATOM 399 O SER A 57 6.098 10.530 -6.045 1.00 0.00 O ATOM 400 CB SER A 57 5.018 12.397 -3.751 1.00 0.00 C ATOM 401 OG SER A 57 4.942 12.232 -2.342 1.00 0.00 O ATOM 0 H SER A 57 6.285 13.876 -5.327 1.00 0.00 H new ATOM 0 HA SER A 57 7.107 12.059 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.770 13.423 -4.022 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.290 11.753 -4.244 1.00 0.00 H new ATOM 0 HG SER A 57 4.038 12.453 -2.035 1.00 0.00 H new ATOM 402 N THR A 58 6.753 9.658 -4.141 1.00 0.00 N ATOM 403 CA THR A 58 6.759 8.287 -4.715 1.00 0.00 C ATOM 404 C THR A 58 6.843 7.287 -3.568 1.00 0.00 C ATOM 405 O THR A 58 7.672 7.406 -2.687 1.00 0.00 O ATOM 406 CB THR A 58 7.954 8.125 -5.659 1.00 0.00 C ATOM 407 OG1 THR A 58 8.880 9.179 -5.430 1.00 0.00 O ATOM 408 CG2 THR A 58 7.469 8.173 -7.109 1.00 0.00 C ATOM 0 H THR A 58 7.025 9.718 -3.160 1.00 0.00 H new ATOM 0 HA THR A 58 5.848 8.111 -5.287 1.00 0.00 H new ATOM 0 HB THR A 58 8.440 7.167 -5.473 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.647 9.077 -6.032 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.319 8.058 -7.781 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.758 7.365 -7.282 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.984 9.130 -7.299 1.00 0.00 H new ATOM 409 N TYR A 59 5.965 6.328 -3.544 1.00 0.00 N ATOM 410 CA TYR A 59 5.971 5.353 -2.423 1.00 0.00 C ATOM 411 C TYR A 59 6.574 4.020 -2.839 1.00 0.00 C ATOM 412 O TYR A 59 6.649 3.695 -4.009 1.00 0.00 O ATOM 413 CB TYR A 59 4.549 5.116 -1.972 1.00 0.00 C ATOM 414 CG TYR A 59 4.419 5.522 -0.534 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.303 6.875 -0.194 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.414 4.544 0.457 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.175 7.243 1.151 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.290 4.905 1.800 1.00 0.00 C ATOM 419 CZ TYR A 59 4.168 6.256 2.150 1.00 0.00 C ATOM 420 OH TYR A 59 4.041 6.617 3.476 1.00 0.00 O ATOM 0 H TYR A 59 5.245 6.177 -4.250 1.00 0.00 H new ATOM 0 HA TYR A 59 6.577 5.769 -1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.858 5.690 -2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.286 4.065 -2.092 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.312 7.631 -0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.506 3.503 0.186 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.082 8.285 1.420 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.288 4.145 2.567 1.00 0.00 H new ATOM 0 HH TYR A 59 4.054 5.813 4.037 1.00 0.00 H new ATOM 421 N TYR A 60 7.011 3.263 -1.859 1.00 0.00 N ATOM 422 CA TYR A 60 7.639 1.929 -2.101 1.00 0.00 C ATOM 423 C TYR A 60 7.347 1.021 -0.910 1.00 0.00 C ATOM 424 O TYR A 60 8.244 0.645 -0.184 1.00 0.00 O ATOM 425 CB TYR A 60 9.157 2.080 -2.185 1.00 0.00 C ATOM 426 CG TYR A 60 9.519 2.958 -3.340 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.212 4.312 -3.293 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.164 2.416 -4.451 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.545 5.140 -4.363 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.503 3.236 -5.527 1.00 0.00 C ATOM 431 CZ TYR A 60 10.194 4.606 -5.486 1.00 0.00 C ATOM 432 OH TYR A 60 10.526 5.421 -6.548 1.00 0.00 O ATOM 0 H TYR A 60 6.955 3.525 -0.875 1.00 0.00 H new ATOM 0 HA TYR A 60 7.240 1.515 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.540 2.507 -1.258 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.622 1.101 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.715 4.723 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.401 1.363 -4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.304 6.192 -4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.002 2.819 -6.389 1.00 0.00 H new ATOM 0 HH TYR A 60 10.971 4.890 -7.241 1.00 0.00 H new ATOM 433 N ALA A 61 6.119 0.669 -0.678 1.00 0.00 N ATOM 434 CA ALA A 61 5.837 -0.202 0.496 1.00 0.00 C ATOM 435 C ALA A 61 6.214 0.557 1.769 1.00 0.00 C ATOM 436 O ALA A 61 6.400 1.757 1.752 1.00 0.00 O ATOM 437 CB ALA A 61 6.682 -1.472 0.400 1.00 0.00 C ATOM 0 H ALA A 61 5.309 0.939 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 61 4.781 -0.470 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.477 -2.111 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.434 -2.006 -0.517 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.739 -1.206 0.390 1.00 0.00 H new ATOM 438 N ASP A 62 6.344 -0.129 2.869 1.00 0.00 N ATOM 439 CA ASP A 62 6.728 0.564 4.128 1.00 0.00 C ATOM 440 C ASP A 62 8.214 0.315 4.401 1.00 0.00 C ATOM 441 O ASP A 62 8.730 0.652 5.448 1.00 0.00 O ATOM 442 CB ASP A 62 5.889 0.032 5.294 1.00 0.00 C ATOM 443 CG ASP A 62 4.752 1.012 5.589 1.00 0.00 C ATOM 444 OD1 ASP A 62 3.819 1.062 4.804 1.00 0.00 O ATOM 445 OD2 ASP A 62 4.834 1.698 6.594 1.00 0.00 O ATOM 0 H ASP A 62 6.202 -1.136 2.950 1.00 0.00 H new ATOM 0 HA ASP A 62 6.547 1.634 4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.484 -0.949 5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.514 -0.095 6.178 1.00 0.00 H new ATOM 446 N SER A 63 8.906 -0.270 3.458 1.00 0.00 N ATOM 447 CA SER A 63 10.359 -0.540 3.653 1.00 0.00 C ATOM 448 C SER A 63 10.987 -0.969 2.328 1.00 0.00 C ATOM 449 O SER A 63 11.995 -1.647 2.304 1.00 0.00 O ATOM 450 CB SER A 63 10.540 -1.671 4.658 1.00 0.00 C ATOM 451 OG SER A 63 9.279 -2.004 5.228 1.00 0.00 O ATOM 0 H SER A 63 8.526 -0.572 2.561 1.00 0.00 H new ATOM 0 HA SER A 63 10.839 0.368 4.018 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.971 -2.543 4.167 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.237 -1.369 5.440 1.00 0.00 H new ATOM 0 HG SER A 63 9.394 -2.732 5.873 1.00 0.00 H new ATOM 452 N VAL A 64 10.407 -0.592 1.223 1.00 0.00 N ATOM 453 CA VAL A 64 10.992 -1.004 -0.079 1.00 0.00 C ATOM 454 C VAL A 64 11.417 0.230 -0.879 1.00 0.00 C ATOM 455 O VAL A 64 11.480 0.198 -2.090 1.00 0.00 O ATOM 456 CB VAL A 64 9.967 -1.800 -0.885 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.702 -2.631 -1.932 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.187 -2.741 0.037 1.00 0.00 C ATOM 0 H VAL A 64 9.563 -0.023 1.166 1.00 0.00 H new ATOM 0 HA VAL A 64 11.865 -1.628 0.114 1.00 0.00 H new ATOM 0 HB VAL A 64 9.272 -1.110 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.980 -3.204 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.260 -1.970 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.392 -3.314 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.459 -3.303 -0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.878 -3.433 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.668 -2.158 0.798 1.00 0.00 H new ATOM 459 N LYS A 65 11.711 1.316 -0.217 1.00 0.00 N ATOM 460 CA LYS A 65 12.137 2.536 -0.959 1.00 0.00 C ATOM 461 C LYS A 65 13.411 2.222 -1.748 1.00 0.00 C ATOM 462 O LYS A 65 14.479 2.064 -1.189 1.00 0.00 O ATOM 463 CB LYS A 65 12.411 3.667 0.034 1.00 0.00 C ATOM 464 CG LYS A 65 13.496 3.234 1.023 1.00 0.00 C ATOM 465 CD LYS A 65 12.930 3.262 2.442 1.00 0.00 C ATOM 466 CE LYS A 65 12.594 1.838 2.885 1.00 0.00 C ATOM 467 NZ LYS A 65 13.112 1.610 4.264 1.00 0.00 N ATOM 0 H LYS A 65 11.675 1.411 0.798 1.00 0.00 H new ATOM 0 HA LYS A 65 11.349 2.845 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.728 4.563 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.497 3.922 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.846 2.231 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.357 3.899 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.654 3.705 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.036 3.885 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.515 1.683 2.860 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.035 1.118 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.913 0.631 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.139 1.774 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.646 2.266 4.923 1.00 0.00 H new ATOM 468 N GLY A 66 13.307 2.118 -3.045 1.00 0.00 N ATOM 469 CA GLY A 66 14.510 1.799 -3.868 1.00 0.00 C ATOM 470 C GLY A 66 14.395 0.361 -4.375 1.00 0.00 C ATOM 471 O GLY A 66 14.863 0.027 -5.446 1.00 0.00 O ATOM 0 H GLY A 66 12.442 2.240 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.587 2.490 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.416 1.918 -3.274 1.00 0.00 H new ATOM 472 N ARG A 67 13.769 -0.492 -3.611 1.00 0.00 N ATOM 473 CA ARG A 67 13.613 -1.912 -4.038 1.00 0.00 C ATOM 474 C ARG A 67 12.200 -2.124 -4.591 1.00 0.00 C ATOM 475 O ARG A 67 11.789 -3.234 -4.866 1.00 0.00 O ATOM 476 CB ARG A 67 13.830 -2.833 -2.835 1.00 0.00 C ATOM 477 CG ARG A 67 15.290 -3.287 -2.796 1.00 0.00 C ATOM 478 CD ARG A 67 15.410 -4.670 -3.438 1.00 0.00 C ATOM 479 NE ARG A 67 16.661 -4.736 -4.245 1.00 0.00 N ATOM 480 CZ ARG A 67 17.001 -5.853 -4.828 1.00 0.00 C ATOM 481 NH1 ARG A 67 17.406 -6.867 -4.110 1.00 0.00 N ATOM 482 NH2 ARG A 67 16.934 -5.958 -6.127 1.00 0.00 N ATOM 0 H ARG A 67 13.357 -0.266 -2.706 1.00 0.00 H new ATOM 0 HA ARG A 67 14.347 -2.142 -4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.576 -2.310 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.171 -3.698 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 67 15.919 -2.572 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 67 15.644 -3.320 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.421 -5.441 -2.667 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.545 -4.865 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 67 17.251 -3.909 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.456 -6.785 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG A 67 17.672 -7.740 -4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.616 -5.167 -6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.200 -6.831 -6.582 1.00 0.00 H new ATOM 483 N PHE A 68 11.456 -1.064 -4.762 1.00 0.00 N ATOM 484 CA PHE A 68 10.074 -1.185 -5.301 1.00 0.00 C ATOM 485 C PHE A 68 9.945 -0.190 -6.454 1.00 0.00 C ATOM 486 O PHE A 68 10.702 0.755 -6.536 1.00 0.00 O ATOM 487 CB PHE A 68 9.070 -0.822 -4.201 1.00 0.00 C ATOM 488 CG PHE A 68 8.389 -2.051 -3.625 1.00 0.00 C ATOM 489 CD1 PHE A 68 8.871 -3.348 -3.876 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.258 -1.878 -2.818 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.217 -4.455 -3.314 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.610 -2.983 -2.262 1.00 0.00 C ATOM 493 CZ PHE A 68 7.089 -4.268 -2.508 1.00 0.00 C ATOM 0 H PHE A 68 11.751 -0.111 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 68 9.876 -2.201 -5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.584 -0.285 -3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.317 -0.146 -4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.741 -3.492 -4.499 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.884 -0.883 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.585 -5.452 -3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.738 -2.842 -1.641 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.588 -5.122 -2.075 1.00 0.00 H new ATOM 494 N THR A 69 9.023 -0.378 -7.355 1.00 0.00 N ATOM 495 CA THR A 69 8.923 0.597 -8.481 1.00 0.00 C ATOM 496 C THR A 69 7.465 0.864 -8.861 1.00 0.00 C ATOM 497 O THR A 69 6.668 -0.042 -9.007 1.00 0.00 O ATOM 498 CB THR A 69 9.645 0.029 -9.695 1.00 0.00 C ATOM 499 OG1 THR A 69 9.661 0.997 -10.736 1.00 0.00 O ATOM 500 CG2 THR A 69 8.900 -1.215 -10.161 1.00 0.00 C ATOM 0 H THR A 69 8.349 -1.143 -7.365 1.00 0.00 H new ATOM 0 HA THR A 69 9.376 1.535 -8.160 1.00 0.00 H new ATOM 0 HB THR A 69 10.672 -0.227 -9.435 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.128 0.631 -11.516 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.404 -1.636 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.885 -1.952 -9.358 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.877 -0.948 -10.428 1.00 0.00 H new ATOM 501 N ILE A 70 7.129 2.111 -9.054 1.00 0.00 N ATOM 502 CA ILE A 70 5.741 2.470 -9.461 1.00 0.00 C ATOM 503 C ILE A 70 5.638 2.389 -10.987 1.00 0.00 C ATOM 504 O ILE A 70 5.643 3.394 -11.669 1.00 0.00 O ATOM 505 CB ILE A 70 5.430 3.890 -9.004 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.058 4.314 -9.540 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.502 4.826 -9.540 1.00 0.00 C ATOM 508 CD1 ILE A 70 3.043 3.197 -9.289 1.00 0.00 C ATOM 0 H ILE A 70 7.763 2.903 -8.946 1.00 0.00 H new ATOM 0 HA ILE A 70 5.029 1.782 -9.005 1.00 0.00 H new ATOM 0 HB ILE A 70 5.415 3.933 -7.915 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.733 5.232 -9.050 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.123 4.528 -10.607 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.289 5.845 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.476 4.521 -9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.511 4.783 -10.629 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.068 3.499 -9.670 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.367 2.290 -9.799 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.970 3.005 -8.218 1.00 0.00 H new ATOM 509 N SER A 71 5.541 1.202 -11.533 1.00 0.00 N ATOM 510 CA SER A 71 5.435 1.083 -13.014 1.00 0.00 C ATOM 511 C SER A 71 4.168 1.805 -13.450 1.00 0.00 C ATOM 512 O SER A 71 3.237 1.930 -12.681 1.00 0.00 O ATOM 513 CB SER A 71 5.354 -0.389 -13.413 1.00 0.00 C ATOM 514 OG SER A 71 6.558 -0.764 -14.069 1.00 0.00 O ATOM 0 H SER A 71 5.531 0.320 -11.021 1.00 0.00 H new ATOM 0 HA SER A 71 6.309 1.523 -13.494 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.199 -1.009 -12.530 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.501 -0.553 -14.072 1.00 0.00 H new ATOM 0 HG SER A 71 6.510 -1.709 -14.325 1.00 0.00 H new ATOM 515 N ARG A 72 4.106 2.299 -14.657 1.00 0.00 N ATOM 516 CA ARG A 72 2.869 3.019 -15.052 1.00 0.00 C ATOM 517 C ARG A 72 2.595 2.915 -16.557 1.00 0.00 C ATOM 518 O ARG A 72 3.494 2.819 -17.370 1.00 0.00 O ATOM 519 CB ARG A 72 2.994 4.480 -14.611 1.00 0.00 C ATOM 520 CG ARG A 72 2.013 5.364 -15.381 1.00 0.00 C ATOM 521 CD ARG A 72 1.412 6.390 -14.423 1.00 0.00 C ATOM 522 NE ARG A 72 2.498 7.067 -13.655 1.00 0.00 N ATOM 523 CZ ARG A 72 3.665 7.274 -14.203 1.00 0.00 C ATOM 524 NH1 ARG A 72 3.746 7.890 -15.350 1.00 0.00 N ATOM 525 NH2 ARG A 72 4.748 6.868 -13.600 1.00 0.00 N ATOM 0 H ARG A 72 4.837 2.237 -15.366 1.00 0.00 H new ATOM 0 HA ARG A 72 2.016 2.554 -14.557 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.800 4.560 -13.541 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.013 4.829 -14.777 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.524 5.869 -16.201 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.225 4.755 -15.824 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.836 7.128 -14.981 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.722 5.899 -13.737 1.00 0.00 H new ATOM 0 HE ARG A 72 2.328 7.370 -12.696 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.898 8.210 -15.818 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.657 8.052 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.683 6.389 -12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.660 7.029 -14.027 1.00 0.00 H new ATOM 526 N ASP A 73 1.335 2.945 -16.920 1.00 0.00 N ATOM 527 CA ASP A 73 0.944 2.863 -18.351 1.00 0.00 C ATOM 528 C ASP A 73 -0.061 3.992 -18.643 1.00 0.00 C ATOM 529 O ASP A 73 -1.256 3.869 -18.405 1.00 0.00 O ATOM 530 CB ASP A 73 0.319 1.495 -18.638 1.00 0.00 C ATOM 531 CG ASP A 73 1.200 0.389 -18.047 1.00 0.00 C ATOM 532 OD1 ASP A 73 1.658 0.554 -16.930 1.00 0.00 O ATOM 533 OD2 ASP A 73 1.401 -0.604 -18.727 1.00 0.00 O ATOM 0 H ASP A 73 0.553 3.024 -16.270 1.00 0.00 H new ATOM 0 HA ASP A 73 1.818 2.978 -18.993 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.682 1.444 -18.208 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.212 1.352 -19.713 1.00 0.00 H new ATOM 534 N ASN A 74 0.448 5.105 -19.123 1.00 0.00 N ATOM 535 CA ASN A 74 -0.392 6.308 -19.421 1.00 0.00 C ATOM 536 C ASN A 74 -1.573 5.976 -20.345 1.00 0.00 C ATOM 537 O ASN A 74 -2.709 5.914 -19.921 1.00 0.00 O ATOM 538 CB ASN A 74 0.485 7.340 -20.124 1.00 0.00 C ATOM 539 CG ASN A 74 1.411 8.010 -19.108 1.00 0.00 C ATOM 540 OD1 ASN A 74 1.223 7.874 -17.915 1.00 0.00 O ATOM 541 ND2 ASN A 74 2.409 8.734 -19.534 1.00 0.00 N ATOM 0 H ASN A 74 1.440 5.230 -19.325 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.792 6.683 -18.479 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.074 6.859 -20.905 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.139 8.090 -20.611 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.033 9.187 -18.866 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.566 8.847 -20.535 1.00 0.00 H new ATOM 542 N SER A 75 -1.320 5.801 -21.618 1.00 0.00 N ATOM 543 CA SER A 75 -2.437 5.514 -22.573 1.00 0.00 C ATOM 544 C SER A 75 -2.839 4.036 -22.511 1.00 0.00 C ATOM 545 O SER A 75 -3.189 3.437 -23.508 1.00 0.00 O ATOM 546 CB SER A 75 -2.000 5.867 -23.996 1.00 0.00 C ATOM 547 OG SER A 75 -2.000 7.280 -24.150 1.00 0.00 O ATOM 0 H SER A 75 -0.391 5.844 -22.038 1.00 0.00 H new ATOM 0 HA SER A 75 -3.298 6.120 -22.291 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.005 5.468 -24.193 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.675 5.411 -24.720 1.00 0.00 H new ATOM 0 HG SER A 75 -1.719 7.510 -25.060 1.00 0.00 H new ATOM 548 N LYS A 76 -2.804 3.450 -21.348 1.00 0.00 N ATOM 549 CA LYS A 76 -3.196 2.025 -21.212 1.00 0.00 C ATOM 550 C LYS A 76 -4.347 1.925 -20.210 1.00 0.00 C ATOM 551 O LYS A 76 -5.032 0.925 -20.145 1.00 0.00 O ATOM 552 CB LYS A 76 -2.003 1.223 -20.700 1.00 0.00 C ATOM 553 CG LYS A 76 -0.868 1.285 -21.730 1.00 0.00 C ATOM 554 CD LYS A 76 -0.130 2.625 -21.616 1.00 0.00 C ATOM 555 CE LYS A 76 -0.028 3.272 -22.998 1.00 0.00 C ATOM 556 NZ LYS A 76 1.382 3.196 -23.481 1.00 0.00 N ATOM 0 H LYS A 76 -2.518 3.903 -20.480 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.511 1.629 -22.177 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.664 1.624 -19.745 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.295 0.187 -20.526 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.172 0.462 -21.567 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.271 1.167 -22.736 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.660 3.287 -20.931 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.866 2.469 -21.201 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.691 2.765 -23.699 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.351 4.312 -22.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.451 3.636 -24.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.004 3.699 -22.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.675 2.200 -23.543 1.00 0.00 H new ATOM 557 N ASN A 77 -4.558 2.963 -19.435 1.00 0.00 N ATOM 558 CA ASN A 77 -5.649 2.967 -18.439 1.00 0.00 C ATOM 559 C ASN A 77 -5.158 2.366 -17.123 1.00 0.00 C ATOM 560 O ASN A 77 -5.945 1.903 -16.330 1.00 0.00 O ATOM 561 CB ASN A 77 -6.877 2.204 -18.982 1.00 0.00 C ATOM 562 CG ASN A 77 -6.937 0.770 -18.432 1.00 0.00 C ATOM 563 OD1 ASN A 77 -5.921 0.164 -18.152 1.00 0.00 O ATOM 564 ND2 ASN A 77 -8.099 0.199 -18.267 1.00 0.00 N ATOM 0 H ASN A 77 -4.003 3.818 -19.460 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.955 3.996 -18.249 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.788 2.738 -18.710 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.837 2.176 -20.071 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.153 -0.753 -17.904 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.953 0.705 -18.501 1.00 0.00 H new ATOM 565 N THR A 78 -3.877 2.383 -16.853 1.00 0.00 N ATOM 566 CA THR A 78 -3.438 1.825 -15.549 1.00 0.00 C ATOM 567 C THR A 78 -1.927 1.905 -15.398 1.00 0.00 C ATOM 568 O THR A 78 -1.201 2.110 -16.346 1.00 0.00 O ATOM 569 CB THR A 78 -3.874 0.368 -15.471 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.289 -0.245 -14.330 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.425 -0.358 -16.738 1.00 0.00 C ATOM 0 H THR A 78 -3.142 2.747 -17.459 1.00 0.00 H new ATOM 0 HA THR A 78 -3.892 2.407 -14.747 1.00 0.00 H new ATOM 0 HB THR A 78 -4.959 0.313 -15.386 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.970 -0.761 -13.850 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.734 -1.402 -16.688 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.880 0.114 -17.609 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.340 -0.305 -16.823 1.00 0.00 H new ATOM 572 N LEU A 79 -1.458 1.715 -14.201 1.00 0.00 N ATOM 573 CA LEU A 79 0.006 1.742 -13.947 1.00 0.00 C ATOM 574 C LEU A 79 0.360 0.454 -13.218 1.00 0.00 C ATOM 575 O LEU A 79 -0.451 -0.096 -12.520 1.00 0.00 O ATOM 576 CB LEU A 79 0.372 2.958 -13.092 1.00 0.00 C ATOM 577 CG LEU A 79 -0.523 2.987 -11.867 1.00 0.00 C ATOM 578 CD1 LEU A 79 0.114 3.858 -10.782 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.885 3.554 -12.268 1.00 0.00 C ATOM 0 H LEU A 79 -2.033 1.540 -13.377 1.00 0.00 H new ATOM 0 HA LEU A 79 0.560 1.818 -14.883 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.419 2.906 -12.793 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.250 3.875 -13.669 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.649 1.979 -11.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.532 3.876 -9.904 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.086 3.447 -10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.243 4.873 -11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.539 3.581 -11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.758 4.564 -12.657 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.330 2.922 -13.036 1.00 0.00 H new ATOM 580 N TYR A 80 1.532 -0.071 -13.402 1.00 0.00 N ATOM 581 CA TYR A 80 1.844 -1.365 -12.745 1.00 0.00 C ATOM 582 C TYR A 80 2.864 -1.187 -11.628 1.00 0.00 C ATOM 583 O TYR A 80 3.444 -0.136 -11.453 1.00 0.00 O ATOM 584 CB TYR A 80 2.382 -2.333 -13.799 1.00 0.00 C ATOM 585 CG TYR A 80 1.320 -2.592 -14.850 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.691 -1.524 -15.513 1.00 0.00 C ATOM 587 CD2 TYR A 80 0.978 -3.909 -15.174 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.275 -1.778 -16.493 1.00 0.00 C ATOM 589 CE2 TYR A 80 0.008 -4.163 -16.153 1.00 0.00 C ATOM 590 CZ TYR A 80 -0.619 -3.098 -16.813 1.00 0.00 C ATOM 591 OH TYR A 80 -1.572 -3.350 -17.778 1.00 0.00 O ATOM 0 H TYR A 80 2.278 0.331 -13.969 1.00 0.00 H new ATOM 0 HA TYR A 80 0.934 -1.764 -12.298 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.275 -1.917 -14.266 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.676 -3.271 -13.328 1.00 0.00 H new ATOM 0 HD1 TYR A 80 0.954 -0.506 -15.266 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.462 -4.732 -14.669 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -0.756 -0.956 -17.003 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -0.257 -5.181 -16.399 1.00 0.00 H new ATOM 0 HH TYR A 80 -1.689 -4.318 -17.877 1.00 0.00 H new ATOM 592 N LEU A 81 3.069 -2.222 -10.860 1.00 0.00 N ATOM 593 CA LEU A 81 4.032 -2.141 -9.733 1.00 0.00 C ATOM 594 C LEU A 81 4.972 -3.336 -9.756 1.00 0.00 C ATOM 595 O LEU A 81 4.548 -4.468 -9.593 1.00 0.00 O ATOM 596 CB LEU A 81 3.279 -2.215 -8.402 1.00 0.00 C ATOM 597 CG LEU A 81 2.756 -0.852 -7.970 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.573 -0.848 -6.443 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.746 0.244 -8.318 1.00 0.00 C ATOM 0 H LEU A 81 2.606 -3.125 -10.968 1.00 0.00 H new ATOM 0 HA LEU A 81 4.582 -1.205 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.445 -2.911 -8.495 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.941 -2.611 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 81 1.813 -0.669 -8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.199 0.125 -6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.860 -1.622 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.531 -1.044 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.349 1.208 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.692 0.055 -7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.910 0.258 -9.396 1.00 0.00 H new ATOM 600 N GLN A 82 6.243 -3.101 -9.875 1.00 0.00 N ATOM 601 CA GLN A 82 7.195 -4.233 -9.805 1.00 0.00 C ATOM 602 C GLN A 82 7.678 -4.252 -8.358 1.00 0.00 C ATOM 603 O GLN A 82 8.525 -3.470 -7.962 1.00 0.00 O ATOM 604 CB GLN A 82 8.363 -4.030 -10.773 1.00 0.00 C ATOM 605 CG GLN A 82 7.878 -3.255 -12.000 1.00 0.00 C ATOM 606 CD GLN A 82 6.753 -4.036 -12.683 1.00 0.00 C ATOM 607 OE1 GLN A 82 5.651 -3.541 -12.819 1.00 0.00 O ATOM 608 NE2 GLN A 82 6.986 -5.241 -13.121 1.00 0.00 N ATOM 0 H GLN A 82 6.661 -2.181 -10.017 1.00 0.00 H new ATOM 0 HA GLN A 82 6.729 -5.176 -10.091 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.168 -3.485 -10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.770 -4.995 -11.076 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.522 -2.268 -11.703 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.703 -3.101 -12.696 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.911 -5.655 -13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.243 -5.770 -13.578 1.00 0.00 H new ATOM 609 N MET A 83 7.090 -5.087 -7.548 1.00 0.00 N ATOM 610 CA MET A 83 7.465 -5.098 -6.103 1.00 0.00 C ATOM 611 C MET A 83 7.951 -6.485 -5.683 1.00 0.00 C ATOM 612 O MET A 83 7.222 -7.456 -5.727 1.00 0.00 O ATOM 613 CB MET A 83 6.240 -4.696 -5.253 1.00 0.00 C ATOM 614 CG MET A 83 4.950 -4.963 -6.032 1.00 0.00 C ATOM 615 SD MET A 83 3.588 -5.203 -4.870 1.00 0.00 S ATOM 616 CE MET A 83 2.397 -4.125 -5.704 1.00 0.00 C ATOM 0 H MET A 83 6.371 -5.758 -7.819 1.00 0.00 H new ATOM 0 HA MET A 83 8.274 -4.385 -5.944 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.234 -5.260 -4.320 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.302 -3.641 -4.988 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.733 -4.126 -6.696 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.067 -5.846 -6.660 1.00 0.00 H new ATOM 0 HE1 MET A 83 2.218 -3.239 -5.094 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.795 -3.824 -6.673 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.459 -4.662 -5.848 1.00 0.00 H new ATOM 617 N ASN A 84 9.184 -6.574 -5.260 1.00 0.00 N ATOM 618 CA ASN A 84 9.740 -7.882 -4.814 1.00 0.00 C ATOM 619 C ASN A 84 10.168 -7.764 -3.348 1.00 0.00 C ATOM 620 O ASN A 84 9.558 -7.056 -2.572 1.00 0.00 O ATOM 621 CB ASN A 84 10.953 -8.239 -5.677 1.00 0.00 C ATOM 622 CG ASN A 84 12.134 -7.342 -5.297 1.00 0.00 C ATOM 623 OD1 ASN A 84 11.976 -6.389 -4.562 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.320 -7.609 -5.772 1.00 0.00 N ATOM 0 H ASN A 84 9.834 -5.790 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 84 8.985 -8.662 -4.915 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.218 -9.287 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.711 -8.112 -6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 84 14.113 -7.017 -5.525 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.454 -8.410 -6.390 1.00 0.00 H new ATOM 625 N SER A 85 11.214 -8.449 -2.966 1.00 0.00 N ATOM 626 CA SER A 85 11.698 -8.378 -1.552 1.00 0.00 C ATOM 627 C SER A 85 10.889 -9.325 -0.662 1.00 0.00 C ATOM 628 O SER A 85 11.347 -9.734 0.388 1.00 0.00 O ATOM 629 CB SER A 85 11.566 -6.947 -1.026 1.00 0.00 C ATOM 630 OG SER A 85 11.709 -6.033 -2.105 1.00 0.00 O ATOM 0 H SER A 85 11.758 -9.059 -3.576 1.00 0.00 H new ATOM 0 HA SER A 85 12.746 -8.678 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 85 10.597 -6.812 -0.546 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.326 -6.755 -0.269 1.00 0.00 H new ATOM 0 HG SER A 85 12.204 -6.462 -2.834 1.00 0.00 H new ATOM 631 N LEU A 86 9.696 -9.681 -1.059 1.00 0.00 N ATOM 632 CA LEU A 86 8.884 -10.605 -0.217 1.00 0.00 C ATOM 633 C LEU A 86 9.752 -11.807 0.175 1.00 0.00 C ATOM 634 O LEU A 86 10.887 -11.916 -0.245 1.00 0.00 O ATOM 635 CB LEU A 86 7.661 -11.068 -1.010 1.00 0.00 C ATOM 636 CG LEU A 86 6.688 -9.895 -1.156 1.00 0.00 C ATOM 637 CD1 LEU A 86 7.004 -9.122 -2.440 1.00 0.00 C ATOM 638 CD2 LEU A 86 5.254 -10.425 -1.218 1.00 0.00 C ATOM 0 H LEU A 86 9.252 -9.374 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 86 8.545 -10.096 0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.964 -11.430 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.174 -11.899 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 86 6.792 -9.230 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.310 -8.287 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.025 -8.742 -2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.902 -9.786 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.562 -9.590 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.149 -11.092 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.028 -10.972 -0.302 1.00 0.00 H new ATOM 639 N ARG A 87 9.252 -12.709 0.981 1.00 0.00 N ATOM 640 CA ARG A 87 10.103 -13.871 1.378 1.00 0.00 C ATOM 641 C ARG A 87 9.266 -15.140 1.534 1.00 0.00 C ATOM 642 O ARG A 87 9.349 -15.826 2.532 1.00 0.00 O ATOM 643 CB ARG A 87 10.791 -13.559 2.704 1.00 0.00 C ATOM 644 CG ARG A 87 9.757 -13.566 3.834 1.00 0.00 C ATOM 645 CD ARG A 87 9.497 -12.129 4.289 1.00 0.00 C ATOM 646 NE ARG A 87 10.556 -11.714 5.252 1.00 0.00 N ATOM 647 CZ ARG A 87 10.223 -11.213 6.410 1.00 0.00 C ATOM 648 NH1 ARG A 87 9.606 -10.065 6.470 1.00 0.00 N ATOM 649 NH2 ARG A 87 10.506 -11.862 7.507 1.00 0.00 N ATOM 0 H ARG A 87 8.311 -12.694 1.374 1.00 0.00 H new ATOM 0 HA ARG A 87 10.843 -14.039 0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.568 -14.296 2.904 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.280 -12.586 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.830 -14.025 3.491 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.119 -14.165 4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.490 -11.459 3.429 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.516 -12.056 4.758 1.00 0.00 H new ATOM 0 HE ARG A 87 11.540 -11.821 5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.384 -9.560 5.612 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.345 -9.673 7.375 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.987 -12.760 7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.246 -11.471 8.412 1.00 0.00 H new ATOM 650 N ALA A 88 8.473 -15.465 0.556 1.00 0.00 N ATOM 651 CA ALA A 88 7.644 -16.699 0.651 1.00 0.00 C ATOM 652 C ALA A 88 7.039 -16.806 2.039 1.00 0.00 C ATOM 653 O ALA A 88 7.183 -17.809 2.709 1.00 0.00 O ATOM 654 CB ALA A 88 8.521 -17.922 0.426 1.00 0.00 C ATOM 0 H ALA A 88 8.361 -14.931 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 88 6.857 -16.650 -0.102 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.913 -18.824 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.976 -17.867 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.304 -17.953 1.184 1.00 0.00 H new ATOM 655 N GLU A 89 6.384 -15.789 2.491 1.00 0.00 N ATOM 656 CA GLU A 89 5.804 -15.859 3.848 1.00 0.00 C ATOM 657 C GLU A 89 5.156 -14.525 4.205 1.00 0.00 C ATOM 658 O GLU A 89 5.096 -14.143 5.357 1.00 0.00 O ATOM 659 CB GLU A 89 6.935 -16.173 4.826 1.00 0.00 C ATOM 660 CG GLU A 89 6.658 -17.513 5.509 1.00 0.00 C ATOM 661 CD GLU A 89 7.840 -17.891 6.403 1.00 0.00 C ATOM 662 OE1 GLU A 89 8.754 -17.090 6.513 1.00 0.00 O ATOM 663 OE2 GLU A 89 7.813 -18.975 6.964 1.00 0.00 O ATOM 0 H GLU A 89 6.225 -14.917 1.986 1.00 0.00 H new ATOM 0 HA GLU A 89 5.039 -16.633 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.887 -16.212 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.016 -15.382 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.747 -17.447 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.495 -18.287 4.759 1.00 0.00 H new ATOM 664 N ASP A 90 4.665 -13.808 3.231 1.00 0.00 N ATOM 665 CA ASP A 90 4.021 -12.502 3.541 1.00 0.00 C ATOM 666 C ASP A 90 3.041 -12.115 2.434 1.00 0.00 C ATOM 667 O ASP A 90 3.051 -10.999 1.955 1.00 0.00 O ATOM 668 CB ASP A 90 5.091 -11.418 3.661 1.00 0.00 C ATOM 669 CG ASP A 90 6.232 -11.715 2.686 1.00 0.00 C ATOM 670 OD1 ASP A 90 7.069 -12.539 3.018 1.00 0.00 O ATOM 671 OD2 ASP A 90 6.250 -11.116 1.624 1.00 0.00 O ATOM 0 H ASP A 90 4.682 -14.067 2.245 1.00 0.00 H new ATOM 0 HA ASP A 90 3.479 -12.596 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.659 -10.441 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.472 -11.380 4.682 1.00 0.00 H new ATOM 672 N THR A 91 2.177 -13.005 2.034 1.00 0.00 N ATOM 673 CA THR A 91 1.199 -12.634 0.980 1.00 0.00 C ATOM 674 C THR A 91 0.546 -11.321 1.413 1.00 0.00 C ATOM 675 O THR A 91 0.440 -11.044 2.591 1.00 0.00 O ATOM 676 CB THR A 91 0.151 -13.742 0.843 1.00 0.00 C ATOM 677 OG1 THR A 91 0.783 -14.929 0.381 1.00 0.00 O ATOM 678 CG2 THR A 91 -0.928 -13.316 -0.155 1.00 0.00 C ATOM 0 H THR A 91 2.107 -13.960 2.386 1.00 0.00 H new ATOM 0 HA THR A 91 1.684 -12.511 0.012 1.00 0.00 H new ATOM 0 HB THR A 91 -0.312 -13.925 1.813 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.116 -15.642 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.671 -14.108 -0.248 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.411 -12.405 0.199 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.471 -13.130 -1.127 1.00 0.00 H new ATOM 679 N ALA A 92 0.139 -10.487 0.496 1.00 0.00 N ATOM 680 CA ALA A 92 -0.462 -9.188 0.917 1.00 0.00 C ATOM 681 C ALA A 92 -1.708 -8.857 0.094 1.00 0.00 C ATOM 682 O ALA A 92 -2.015 -9.495 -0.892 1.00 0.00 O ATOM 683 CB ALA A 92 0.569 -8.076 0.720 1.00 0.00 C ATOM 0 H ALA A 92 0.194 -10.643 -0.510 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.752 -9.268 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.138 -7.122 1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.451 -8.286 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.854 -8.026 -0.331 1.00 0.00 H new ATOM 684 N VAL A 93 -2.403 -7.825 0.489 1.00 0.00 N ATOM 685 CA VAL A 93 -3.609 -7.379 -0.252 1.00 0.00 C ATOM 686 C VAL A 93 -3.457 -5.869 -0.437 1.00 0.00 C ATOM 687 O VAL A 93 -3.011 -5.181 0.452 1.00 0.00 O ATOM 688 CB VAL A 93 -4.875 -7.728 0.531 1.00 0.00 C ATOM 689 CG1 VAL A 93 -6.077 -7.038 -0.113 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.085 -9.246 0.482 1.00 0.00 C ATOM 0 H VAL A 93 -2.178 -7.264 1.311 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.700 -7.877 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.773 -7.396 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.980 -7.286 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.927 -5.958 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.182 -7.377 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.986 -9.507 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.193 -9.565 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.226 -9.747 0.928 1.00 0.00 H new ATOM 691 N TYR A 94 -3.750 -5.346 -1.591 1.00 0.00 N ATOM 692 CA TYR A 94 -3.528 -3.883 -1.802 1.00 0.00 C ATOM 693 C TYR A 94 -4.824 -3.163 -2.199 1.00 0.00 C ATOM 694 O TYR A 94 -5.815 -3.774 -2.530 1.00 0.00 O ATOM 695 CB TYR A 94 -2.516 -3.704 -2.937 1.00 0.00 C ATOM 696 CG TYR A 94 -1.254 -4.490 -2.685 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.831 -4.777 -1.382 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.492 -4.911 -3.775 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.355 -5.488 -1.172 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.691 -5.617 -3.567 1.00 0.00 C ATOM 701 CZ TYR A 94 1.118 -5.910 -2.267 1.00 0.00 C ATOM 702 OH TYR A 94 2.291 -6.609 -2.065 1.00 0.00 O ATOM 0 H TYR A 94 -4.128 -5.855 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.166 -3.455 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.963 -4.025 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.272 -2.647 -3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.421 -4.449 -0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.819 -4.690 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.681 -5.711 -0.167 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.281 -5.939 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 94 2.943 -6.359 -2.753 1.00 0.00 H new ATOM 703 N TYR A 95 -4.802 -1.850 -2.192 1.00 0.00 N ATOM 704 CA TYR A 95 -6.004 -1.068 -2.595 1.00 0.00 C ATOM 705 C TYR A 95 -5.525 0.261 -3.182 1.00 0.00 C ATOM 706 O TYR A 95 -4.888 1.047 -2.510 1.00 0.00 O ATOM 707 CB TYR A 95 -6.884 -0.809 -1.378 1.00 0.00 C ATOM 708 CG TYR A 95 -7.590 -2.082 -0.982 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.890 -3.076 -0.294 1.00 0.00 C ATOM 710 CD2 TYR A 95 -8.944 -2.263 -1.298 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.543 -4.257 0.081 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.595 -3.446 -0.924 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.894 -4.442 -0.233 1.00 0.00 C ATOM 714 OH TYR A 95 -9.534 -5.608 0.137 1.00 0.00 O ATOM 0 H TYR A 95 -3.995 -1.288 -1.922 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.587 -1.620 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.277 -0.445 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.614 -0.032 -1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.847 -2.934 -0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.484 -1.492 -1.828 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.003 -5.026 0.613 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.637 -3.590 -1.169 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.469 -5.575 -0.156 1.00 0.00 H new ATOM 715 N CYS A 96 -5.789 0.509 -4.437 1.00 0.00 N ATOM 716 CA CYS A 96 -5.298 1.774 -5.055 1.00 0.00 C ATOM 717 C CYS A 96 -5.812 3.000 -4.301 1.00 0.00 C ATOM 718 O CYS A 96 -6.541 2.884 -3.337 1.00 0.00 O ATOM 719 CB CYS A 96 -5.749 1.868 -6.509 1.00 0.00 C ATOM 720 SG CYS A 96 -4.941 0.602 -7.510 1.00 0.00 S ATOM 0 H CYS A 96 -6.319 -0.104 -5.056 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.209 1.757 -5.004 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.831 1.750 -6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.514 2.856 -6.905 1.00 0.00 H new ATOM 721 N ALA A 97 -5.434 4.184 -4.742 1.00 0.00 N ATOM 722 CA ALA A 97 -5.911 5.419 -4.034 1.00 0.00 C ATOM 723 C ALA A 97 -5.260 6.704 -4.602 1.00 0.00 C ATOM 724 O ALA A 97 -4.074 6.756 -4.834 1.00 0.00 O ATOM 725 CB ALA A 97 -5.522 5.310 -2.562 1.00 0.00 C ATOM 0 H ALA A 97 -4.827 4.345 -5.546 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.990 5.489 -4.171 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.860 6.199 -2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.989 4.427 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.439 5.227 -2.477 1.00 0.00 H new ATOM 726 N ARG A 98 -6.023 7.762 -4.779 1.00 0.00 N ATOM 727 CA ARG A 98 -5.420 9.051 -5.282 1.00 0.00 C ATOM 728 C ARG A 98 -5.237 10.012 -4.099 1.00 0.00 C ATOM 729 O ARG A 98 -5.921 9.909 -3.099 1.00 0.00 O ATOM 730 CB ARG A 98 -6.338 9.708 -6.321 1.00 0.00 C ATOM 731 CG ARG A 98 -5.860 11.126 -6.631 1.00 0.00 C ATOM 732 CD ARG A 98 -4.597 11.052 -7.487 1.00 0.00 C ATOM 733 NE ARG A 98 -4.861 11.658 -8.826 1.00 0.00 N ATOM 734 CZ ARG A 98 -5.895 11.281 -9.526 1.00 0.00 C ATOM 735 NH1 ARG A 98 -6.078 10.018 -9.783 1.00 0.00 N ATOM 736 NH2 ARG A 98 -6.736 12.171 -9.980 1.00 0.00 N ATOM 0 H ARG A 98 -7.027 7.793 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 98 -4.459 8.832 -5.748 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.349 9.113 -7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.361 9.736 -5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.639 11.679 -7.157 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.656 11.665 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.780 11.578 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -4.284 10.014 -7.602 1.00 0.00 H new ATOM 0 HE ARG A 98 -4.230 12.370 -9.195 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.414 9.326 -9.437 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.886 9.721 -10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.584 13.161 -9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.545 11.876 -10.527 1.00 0.00 H new ATOM 737 N LEU A 99 -4.320 10.946 -4.194 1.00 0.00 N ATOM 738 CA LEU A 99 -4.110 11.901 -3.054 1.00 0.00 C ATOM 739 C LEU A 99 -3.572 13.245 -3.542 1.00 0.00 C ATOM 740 O LEU A 99 -2.384 13.500 -3.502 1.00 0.00 O ATOM 741 CB LEU A 99 -3.114 11.343 -2.025 1.00 0.00 C ATOM 742 CG LEU A 99 -2.246 10.237 -2.625 1.00 0.00 C ATOM 743 CD1 LEU A 99 -3.070 8.957 -2.692 1.00 0.00 C ATOM 744 CD2 LEU A 99 -1.756 10.629 -4.031 1.00 0.00 C ATOM 0 H LEU A 99 -3.713 11.089 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.087 12.036 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.477 12.149 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.658 10.953 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.368 10.084 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.465 8.157 -3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.388 8.676 -1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.947 9.121 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.140 9.827 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.614 10.794 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.166 11.544 -3.969 1.00 0.00 H new ATOM 745 N LYS A 100 -4.429 14.118 -3.965 1.00 0.00 N ATOM 746 CA LYS A 100 -3.960 15.456 -4.415 1.00 0.00 C ATOM 747 C LYS A 100 -5.110 16.449 -4.292 1.00 0.00 C ATOM 748 O LYS A 100 -5.112 17.490 -4.916 1.00 0.00 O ATOM 749 CB LYS A 100 -3.493 15.388 -5.868 1.00 0.00 C ATOM 750 CG LYS A 100 -4.290 14.322 -6.618 1.00 0.00 C ATOM 751 CD LYS A 100 -4.589 14.823 -8.034 1.00 0.00 C ATOM 752 CE LYS A 100 -5.883 15.638 -8.035 1.00 0.00 C ATOM 753 NZ LYS A 100 -5.595 17.026 -8.497 1.00 0.00 N ATOM 0 H LYS A 100 -5.436 13.968 -4.021 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.124 15.776 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.624 16.358 -6.348 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.429 15.154 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.725 13.391 -6.660 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.220 14.107 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.763 15.436 -8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.681 13.978 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.619 15.171 -8.689 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.313 15.658 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.474 17.581 -8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.906 17.469 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.203 16.997 -9.460 1.00 0.00 H new ATOM 754 N LYS A 101 -6.100 16.125 -3.502 1.00 0.00 N ATOM 755 CA LYS A 101 -7.259 17.040 -3.357 1.00 0.00 C ATOM 756 C LYS A 101 -7.923 17.171 -4.716 1.00 0.00 C ATOM 757 O LYS A 101 -7.261 17.259 -5.727 1.00 0.00 O ATOM 758 CB LYS A 101 -6.800 18.413 -2.862 1.00 0.00 C ATOM 759 CG LYS A 101 -7.594 18.792 -1.611 1.00 0.00 C ATOM 760 CD LYS A 101 -8.288 20.137 -1.832 1.00 0.00 C ATOM 761 CE LYS A 101 -9.348 20.352 -0.749 1.00 0.00 C ATOM 762 NZ LYS A 101 -10.219 21.501 -1.127 1.00 0.00 N ATOM 0 H LYS A 101 -6.152 15.266 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.962 16.639 -2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.734 18.393 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.948 19.161 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.333 18.022 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -6.929 18.852 -0.750 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.556 20.944 -1.804 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.751 20.161 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.949 19.450 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.869 20.546 0.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.939 21.647 -0.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -9.640 22.360 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.686 21.299 -2.034 1.00 0.00 H new ATOM 763 N TYR A 102 -9.223 17.141 -4.750 1.00 0.00 N ATOM 764 CA TYR A 102 -9.948 17.220 -6.047 1.00 0.00 C ATOM 765 C TYR A 102 -9.953 15.833 -6.694 1.00 0.00 C ATOM 766 O TYR A 102 -10.703 15.577 -7.614 1.00 0.00 O ATOM 767 CB TYR A 102 -9.272 18.222 -6.991 1.00 0.00 C ATOM 768 CG TYR A 102 -10.140 18.431 -8.207 1.00 0.00 C ATOM 769 CD1 TYR A 102 -10.133 17.484 -9.241 1.00 0.00 C ATOM 770 CD2 TYR A 102 -10.946 19.570 -8.307 1.00 0.00 C ATOM 771 CE1 TYR A 102 -10.934 17.677 -10.373 1.00 0.00 C ATOM 772 CE2 TYR A 102 -11.746 19.763 -9.441 1.00 0.00 C ATOM 773 CZ TYR A 102 -11.740 18.817 -10.472 1.00 0.00 C ATOM 774 OH TYR A 102 -12.527 19.009 -11.589 1.00 0.00 O ATOM 0 H TYR A 102 -9.821 17.064 -3.927 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.968 17.558 -5.863 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.112 19.170 -6.478 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.291 17.852 -7.290 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.510 16.605 -9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.952 20.300 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.930 16.947 -11.169 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -12.368 20.643 -9.519 1.00 0.00 H new ATOM 0 HH TYR A 102 -13.025 19.848 -11.498 1.00 0.00 H new ATOM 775 N ALA A 103 -9.127 14.925 -6.223 1.00 0.00 N ATOM 776 CA ALA A 103 -9.110 13.574 -6.827 1.00 0.00 C ATOM 777 C ALA A 103 -8.924 12.526 -5.736 1.00 0.00 C ATOM 778 O ALA A 103 -8.374 11.476 -5.972 1.00 0.00 O ATOM 779 CB ALA A 103 -7.954 13.469 -7.809 1.00 0.00 C ATOM 0 H ALA A 103 -8.474 15.070 -5.453 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.054 13.405 -7.345 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.943 12.474 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.075 14.215 -8.594 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.014 13.643 -7.285 1.00 0.00 H new ATOM 780 N PHE A 104 -9.374 12.785 -4.544 1.00 0.00 N ATOM 781 CA PHE A 104 -9.205 11.761 -3.483 1.00 0.00 C ATOM 782 C PHE A 104 -10.580 11.280 -3.024 1.00 0.00 C ATOM 783 O PHE A 104 -11.321 11.996 -2.382 1.00 0.00 O ATOM 784 CB PHE A 104 -8.428 12.326 -2.298 1.00 0.00 C ATOM 785 CG PHE A 104 -7.704 11.193 -1.605 1.00 0.00 C ATOM 786 CD1 PHE A 104 -8.208 9.886 -1.678 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.521 11.444 -0.902 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.532 8.838 -1.055 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.845 10.391 -0.275 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.353 9.089 -0.355 1.00 0.00 C ATOM 0 H PHE A 104 -9.843 13.645 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.638 10.924 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.715 13.077 -2.638 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -9.106 12.821 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.122 9.691 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.130 12.449 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.921 7.832 -1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.932 10.583 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.830 8.276 0.127 1.00 0.00 H new ATOM 791 N ASP A 105 -10.909 10.062 -3.358 1.00 0.00 N ATOM 792 CA ASP A 105 -12.228 9.485 -2.967 1.00 0.00 C ATOM 793 C ASP A 105 -12.590 8.365 -3.945 1.00 0.00 C ATOM 794 O ASP A 105 -13.740 8.175 -4.289 1.00 0.00 O ATOM 795 CB ASP A 105 -13.310 10.569 -3.021 1.00 0.00 C ATOM 796 CG ASP A 105 -13.650 11.023 -1.600 1.00 0.00 C ATOM 797 OD1 ASP A 105 -13.281 10.323 -0.671 1.00 0.00 O ATOM 798 OD2 ASP A 105 -14.273 12.063 -1.464 1.00 0.00 O ATOM 0 H ASP A 105 -10.311 9.433 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.165 9.092 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.961 11.417 -3.611 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.202 10.183 -3.514 1.00 0.00 H new ATOM 799 N TYR A 106 -11.616 7.620 -4.398 1.00 0.00 N ATOM 800 CA TYR A 106 -11.904 6.515 -5.355 1.00 0.00 C ATOM 801 C TYR A 106 -11.023 5.312 -5.018 1.00 0.00 C ATOM 802 O TYR A 106 -10.650 5.100 -3.881 1.00 0.00 O ATOM 803 CB TYR A 106 -11.611 6.967 -6.793 1.00 0.00 C ATOM 804 CG TYR A 106 -11.707 8.468 -6.902 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.946 9.104 -6.769 1.00 0.00 C ATOM 806 CD2 TYR A 106 -10.555 9.219 -7.149 1.00 0.00 C ATOM 807 CE1 TYR A 106 -13.031 10.495 -6.881 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.638 10.609 -7.263 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.879 11.250 -7.129 1.00 0.00 C ATOM 810 OH TYR A 106 -11.965 12.622 -7.244 1.00 0.00 O ATOM 0 H TYR A 106 -10.634 7.730 -4.146 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.956 6.242 -5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.615 6.637 -7.089 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -12.318 6.500 -7.479 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.835 8.521 -6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.600 8.725 -7.252 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.987 10.987 -6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.748 11.190 -7.454 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.705 12.951 -6.692 1.00 0.00 H new ATOM 811 N TRP A 107 -10.695 4.523 -6.002 1.00 0.00 N ATOM 812 CA TRP A 107 -9.845 3.322 -5.764 1.00 0.00 C ATOM 813 C TRP A 107 -10.435 2.487 -4.622 1.00 0.00 C ATOM 814 O TRP A 107 -10.339 2.850 -3.467 1.00 0.00 O ATOM 815 CB TRP A 107 -8.433 3.735 -5.392 1.00 0.00 C ATOM 816 CG TRP A 107 -7.990 4.903 -6.211 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.212 6.183 -5.876 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.268 4.937 -7.482 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.614 7.004 -6.795 1.00 0.00 N ATOM 820 CE2 TRP A 107 -7.026 6.289 -7.817 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.785 3.947 -8.358 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.326 6.641 -8.976 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.091 4.304 -9.526 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.858 5.646 -9.831 1.00 0.00 C ATOM 0 H TRP A 107 -10.982 4.660 -6.971 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.818 2.733 -6.681 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.391 3.990 -4.333 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.752 2.898 -5.545 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.775 6.514 -5.016 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.605 8.022 -6.731 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.949 2.904 -8.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.149 7.681 -9.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.735 3.534 -10.194 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.317 5.912 -10.727 1.00 0.00 H new ATOM 825 N GLY A 108 -11.040 1.369 -4.923 1.00 0.00 N ATOM 826 CA GLY A 108 -11.623 0.533 -3.835 1.00 0.00 C ATOM 827 C GLY A 108 -12.126 -0.798 -4.401 1.00 0.00 C ATOM 828 O GLY A 108 -13.260 -0.916 -4.824 1.00 0.00 O ATOM 0 H GLY A 108 -11.155 1.001 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.872 0.349 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.444 1.067 -3.357 1.00 0.00 H new ATOM 829 N GLN A 109 -11.294 -1.802 -4.398 1.00 0.00 N ATOM 830 CA GLN A 109 -11.718 -3.135 -4.918 1.00 0.00 C ATOM 831 C GLN A 109 -10.964 -4.223 -4.154 1.00 0.00 C ATOM 832 O GLN A 109 -11.537 -5.202 -3.720 1.00 0.00 O ATOM 833 CB GLN A 109 -11.395 -3.239 -6.410 1.00 0.00 C ATOM 834 CG GLN A 109 -12.613 -3.791 -7.159 1.00 0.00 C ATOM 835 CD GLN A 109 -12.170 -4.904 -8.111 1.00 0.00 C ATOM 836 OE1 GLN A 109 -12.218 -4.745 -9.316 1.00 0.00 O ATOM 837 NE2 GLN A 109 -11.740 -6.034 -7.620 1.00 0.00 N ATOM 0 H GLN A 109 -10.334 -1.758 -4.056 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.792 -3.258 -4.780 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.126 -2.259 -6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.535 -3.891 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -13.345 -4.176 -6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -13.101 -2.993 -7.719 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.699 -6.168 -6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.445 -6.783 -8.246 1.00 0.00 H new ATOM 838 N GLY A 110 -9.683 -4.050 -3.975 1.00 0.00 N ATOM 839 CA GLY A 110 -8.892 -5.064 -3.225 1.00 0.00 C ATOM 840 C GLY A 110 -8.142 -5.977 -4.196 1.00 0.00 C ATOM 841 O GLY A 110 -8.730 -6.624 -5.040 1.00 0.00 O ATOM 0 H GLY A 110 -9.151 -3.250 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.184 -4.566 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.554 -5.658 -2.595 1.00 0.00 H new ATOM 842 N THR A 111 -6.847 -6.056 -4.058 1.00 0.00 N ATOM 843 CA THR A 111 -6.045 -6.941 -4.931 1.00 0.00 C ATOM 844 C THR A 111 -5.092 -7.689 -4.010 1.00 0.00 C ATOM 845 O THR A 111 -5.386 -7.869 -2.845 1.00 0.00 O ATOM 846 CB THR A 111 -5.269 -6.109 -5.953 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.726 -6.965 -6.948 1.00 0.00 O ATOM 848 CG2 THR A 111 -4.144 -5.366 -5.247 1.00 0.00 C ATOM 0 H THR A 111 -6.309 -5.535 -3.366 1.00 0.00 H new ATOM 0 HA THR A 111 -6.674 -7.633 -5.491 1.00 0.00 H new ATOM 0 HB THR A 111 -5.939 -5.390 -6.424 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.230 -6.431 -7.604 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.589 -4.772 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.564 -4.709 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.473 -6.084 -4.777 1.00 0.00 H new ATOM 849 N LEU A 112 -3.963 -8.131 -4.470 1.00 0.00 N ATOM 850 CA LEU A 112 -3.090 -8.860 -3.518 1.00 0.00 C ATOM 851 C LEU A 112 -1.770 -9.268 -4.138 1.00 0.00 C ATOM 852 O LEU A 112 -1.373 -8.804 -5.185 1.00 0.00 O ATOM 853 CB LEU A 112 -3.814 -10.127 -3.119 1.00 0.00 C ATOM 854 CG LEU A 112 -3.896 -10.994 -4.367 1.00 0.00 C ATOM 855 CD1 LEU A 112 -2.740 -11.998 -4.367 1.00 0.00 C ATOM 856 CD2 LEU A 112 -5.236 -11.728 -4.387 1.00 0.00 C ATOM 0 H LEU A 112 -3.615 -8.027 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.881 -8.201 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -3.279 -10.644 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.810 -9.900 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 112 -3.821 -10.369 -5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -2.798 -12.620 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.792 -11.461 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -2.806 -12.629 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.297 -12.350 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.320 -12.357 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.049 -11.002 -4.394 1.00 0.00 H new ATOM 857 N VAL A 113 -1.107 -10.167 -3.463 1.00 0.00 N ATOM 858 CA VAL A 113 0.193 -10.676 -3.931 1.00 0.00 C ATOM 859 C VAL A 113 0.448 -12.049 -3.312 1.00 0.00 C ATOM 860 O VAL A 113 0.344 -12.228 -2.114 1.00 0.00 O ATOM 861 CB VAL A 113 1.247 -9.695 -3.477 1.00 0.00 C ATOM 862 CG1 VAL A 113 2.610 -10.140 -3.979 1.00 0.00 C ATOM 863 CG2 VAL A 113 0.881 -8.338 -4.052 1.00 0.00 C ATOM 0 H VAL A 113 -1.429 -10.574 -2.585 1.00 0.00 H new ATOM 0 HA VAL A 113 0.212 -10.778 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 113 1.292 -9.642 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 113 3.369 -9.430 -3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.840 -11.128 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.601 -10.182 -5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.622 -7.601 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.859 -8.398 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.101 -8.040 -3.685 1.00 0.00 H new ATOM 864 N THR A 114 0.782 -13.020 -4.112 1.00 0.00 N ATOM 865 CA THR A 114 1.045 -14.373 -3.559 1.00 0.00 C ATOM 866 C THR A 114 2.537 -14.657 -3.657 1.00 0.00 C ATOM 867 O THR A 114 3.196 -14.226 -4.578 1.00 0.00 O ATOM 868 CB THR A 114 0.266 -15.417 -4.361 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.036 -14.921 -4.638 1.00 0.00 O ATOM 870 CG2 THR A 114 0.162 -16.710 -3.551 1.00 0.00 C ATOM 0 H THR A 114 0.884 -12.935 -5.123 1.00 0.00 H new ATOM 0 HA THR A 114 0.726 -14.418 -2.518 1.00 0.00 H new ATOM 0 HB THR A 114 0.785 -15.620 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.537 -15.587 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.393 -17.454 -4.123 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.162 -17.088 -3.339 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.357 -16.511 -2.613 1.00 0.00 H new ATOM 871 N VAL A 115 3.082 -15.368 -2.716 1.00 0.00 N ATOM 872 CA VAL A 115 4.540 -15.658 -2.773 1.00 0.00 C ATOM 873 C VAL A 115 4.771 -17.017 -3.430 1.00 0.00 C ATOM 874 O VAL A 115 5.399 -17.891 -2.866 1.00 0.00 O ATOM 875 CB VAL A 115 5.140 -15.669 -1.363 1.00 0.00 C ATOM 876 CG1 VAL A 115 6.371 -14.761 -1.331 1.00 0.00 C ATOM 877 CG2 VAL A 115 4.117 -15.161 -0.340 1.00 0.00 C ATOM 0 H VAL A 115 2.587 -15.759 -1.914 1.00 0.00 H new ATOM 0 HA VAL A 115 5.026 -14.878 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 115 5.419 -16.692 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.801 -14.766 -0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.110 -15.125 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.080 -13.744 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.560 -15.176 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.825 -14.142 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 115 3.237 -15.804 -0.355 1.00 0.00 H new