USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 777 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 96 ASN : amide:sc= 0.395 K(o=0.51,f=-4.5!) USER MOD Set 1.2: A 97 SER OG : rot 93:sc= 0.118 USER MOD Set 2.1: A 94 THR OG1 : rot -128:sc= 0.929 USER MOD Set 2.2: A 103 ASN : amide:sc= 1.04 X(o=2,f=1.8) USER MOD Set 3.1: A 80 GLN : amide:sc= -1.94! K(o=-6.2!,f=-9.6) USER MOD Set 3.2: A 88 GLN :FLIP amide:sc= -1.06! C(o=-8.6!,f=-6.2!) USER MOD Set 3.3: A 89 GLN : amide:sc= -3.17! C(o=-6.2!,f=-9.6!) USER MOD Set 4.1: A 61 THR OG1 : rot 145:sc= 0.243 USER MOD Set 4.2: A 75 TYR OH : rot 86:sc= -2.57 USER MOD Set 5.1: A 52 GLN : amide:sc= 0.966 K(o=2.1,f=-0.45) USER MOD Set 5.2: A 53 GLN : amide:sc= 1.14 K(o=2.1,f=0) USER MOD Single : A 20 SER OG : rot 26:sc= 0.879 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 22 THR OG1 : rot -55:sc= 0.373 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0771 X(o=-0.077,f=-0.0047) USER MOD Single : A 34 GLN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 147:sc= 1.32 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 44 SER OG : rot 72:sc= 0.368 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 1.31 (180deg=1.05) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 54 GLN : amide:sc= -0.781! C(o=-0.78!,f=-0.79!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.0451 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0361 F(o=-1,f=-0.036) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.43) USER MOD Single : A 83 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 87 THR OG1 : rot -0:sc= 1.75 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.159 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 107 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.18) USER MOD Single : A 111 SER OG : rot 95:sc= 1.21 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 116 HIS : no HD1:sc= -0.0526 X(o=-0.053,f=0) USER MOD Single : A 117 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.0049) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.7!) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 -20.301 -50.999 19.910 1.00 0.00 N ATOM 2 CA SER A 20 -19.415 -50.367 20.906 1.00 0.00 C ATOM 3 C SER A 20 -18.976 -48.980 20.434 1.00 0.00 C ATOM 4 O SER A 20 -17.787 -48.716 20.241 1.00 0.00 O ATOM 5 CB SER A 20 -18.209 -51.277 21.129 1.00 0.00 C ATOM 6 OG SER A 20 -18.477 -52.586 20.642 1.00 0.00 O ATOM 0 HA SER A 20 -19.950 -50.235 21.847 1.00 0.00 H new ATOM 0 HB2 SER A 20 -17.336 -50.865 20.622 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.969 -51.320 22.192 1.00 0.00 H new ATOM 0 HG SER A 20 -19.153 -52.540 19.934 1.00 0.00 H new ATOM 14 N SER A 21 -19.944 -48.094 20.262 1.00 0.00 N ATOM 15 CA SER A 21 -19.680 -46.760 19.746 1.00 0.00 C ATOM 16 C SER A 21 -19.205 -45.825 20.855 1.00 0.00 C ATOM 17 O SER A 21 -19.954 -44.970 21.336 1.00 0.00 O ATOM 18 CB SER A 21 -20.938 -46.205 19.078 1.00 0.00 C ATOM 19 OG SER A 21 -21.801 -47.259 18.689 1.00 0.00 O ATOM 0 H SER A 21 -20.925 -48.276 20.474 1.00 0.00 H new ATOM 0 HA SER A 21 -18.883 -46.827 19.005 1.00 0.00 H new ATOM 0 HB2 SER A 21 -21.457 -45.537 19.766 1.00 0.00 H new ATOM 0 HB3 SER A 21 -20.662 -45.613 18.206 1.00 0.00 H new ATOM 0 HG SER A 21 -22.602 -46.886 18.265 1.00 0.00 H new ATOM 25 N THR A 22 -17.965 -46.015 21.276 1.00 0.00 N ATOM 26 CA THR A 22 -17.345 -45.136 22.247 1.00 0.00 C ATOM 27 C THR A 22 -16.095 -44.500 21.635 1.00 0.00 C ATOM 28 O THR A 22 -14.978 -44.636 22.141 1.00 0.00 O ATOM 29 CB THR A 22 -17.009 -45.889 23.561 1.00 0.00 C ATOM 30 OG1 THR A 22 -16.350 -45.017 24.491 1.00 0.00 O ATOM 31 CG2 THR A 22 -16.144 -47.116 23.297 1.00 0.00 C ATOM 0 H THR A 22 -17.367 -46.777 20.956 1.00 0.00 H new ATOM 0 HA THR A 22 -18.051 -44.347 22.507 1.00 0.00 H new ATOM 0 HB THR A 22 -17.951 -46.224 23.994 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.561 -44.621 24.065 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.928 -47.619 24.240 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.675 -47.800 22.634 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.210 -46.808 22.828 1.00 0.00 H new ATOM 39 N LEU A 23 -16.299 -43.803 20.527 1.00 0.00 N ATOM 40 CA LEU A 23 -15.206 -43.173 19.805 1.00 0.00 C ATOM 41 C LEU A 23 -15.275 -41.659 19.963 1.00 0.00 C ATOM 42 O LEU A 23 -15.021 -40.909 19.020 1.00 0.00 O ATOM 43 CB LEU A 23 -15.255 -43.554 18.321 1.00 0.00 C ATOM 44 CG LEU A 23 -15.631 -45.008 18.034 1.00 0.00 C ATOM 45 CD1 LEU A 23 -16.891 -45.077 17.186 1.00 0.00 C ATOM 46 CD2 LEU A 23 -14.485 -45.729 17.344 1.00 0.00 C ATOM 0 H LEU A 23 -17.217 -43.660 20.107 1.00 0.00 H new ATOM 0 HA LEU A 23 -14.264 -43.527 20.223 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.972 -42.904 17.819 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.279 -43.354 17.879 1.00 0.00 H new ATOM 0 HG LEU A 23 -15.828 -45.505 18.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -17.143 -46.120 16.992 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -17.714 -44.598 17.717 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -16.721 -44.563 16.240 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.771 -46.762 17.148 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -14.256 -45.231 16.402 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.605 -45.712 17.987 1.00 0.00 H new ATOM 58 N GLU A 24 -15.625 -41.221 21.166 1.00 0.00 N ATOM 59 CA GLU A 24 -15.716 -39.801 21.469 1.00 0.00 C ATOM 60 C GLU A 24 -14.323 -39.190 21.542 1.00 0.00 C ATOM 61 O GLU A 24 -13.542 -39.498 22.446 1.00 0.00 O ATOM 62 CB GLU A 24 -16.460 -39.585 22.790 1.00 0.00 C ATOM 63 CG GLU A 24 -16.722 -38.122 23.109 1.00 0.00 C ATOM 64 CD GLU A 24 -17.957 -37.922 23.960 1.00 0.00 C ATOM 65 OE1 GLU A 24 -17.919 -38.258 25.165 1.00 0.00 O ATOM 66 OE2 GLU A 24 -18.970 -37.417 23.437 1.00 0.00 O ATOM 0 H GLU A 24 -15.851 -41.833 21.950 1.00 0.00 H new ATOM 0 HA GLU A 24 -16.274 -39.309 20.672 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -17.411 -40.116 22.753 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.880 -40.027 23.600 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.858 -37.707 23.627 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.833 -37.566 22.178 1.00 0.00 H new ATOM 73 N ARG A 25 -14.013 -38.335 20.584 1.00 0.00 N ATOM 74 CA ARG A 25 -12.707 -37.701 20.518 1.00 0.00 C ATOM 75 C ARG A 25 -12.860 -36.201 20.323 1.00 0.00 C ATOM 76 O ARG A 25 -12.962 -35.714 19.194 1.00 0.00 O ATOM 77 CB ARG A 25 -11.874 -38.303 19.383 1.00 0.00 C ATOM 78 CG ARG A 25 -10.893 -39.364 19.852 1.00 0.00 C ATOM 79 CD ARG A 25 -11.526 -40.745 19.838 1.00 0.00 C ATOM 80 NE ARG A 25 -10.853 -41.674 20.744 1.00 0.00 N ATOM 81 CZ ARG A 25 -10.705 -42.979 20.495 1.00 0.00 C ATOM 82 NH1 ARG A 25 -11.155 -43.507 19.364 1.00 0.00 N ATOM 83 NH2 ARG A 25 -10.084 -43.756 21.370 1.00 0.00 N ATOM 0 H ARG A 25 -14.651 -38.062 19.837 1.00 0.00 H new ATOM 0 HA ARG A 25 -12.187 -37.881 21.459 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.544 -38.740 18.643 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.324 -37.506 18.883 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.013 -39.358 19.209 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.553 -39.128 20.860 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.576 -40.664 20.119 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.497 -41.145 18.824 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.475 -41.305 21.616 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.619 -42.916 18.674 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.037 -44.504 19.184 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.718 -43.359 22.235 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.972 -44.752 21.179 1.00 0.00 H new ATOM 97 N VAL A 26 -12.898 -35.476 21.429 1.00 0.00 N ATOM 98 CA VAL A 26 -13.019 -34.030 21.385 1.00 0.00 C ATOM 99 C VAL A 26 -11.831 -33.379 22.092 1.00 0.00 C ATOM 100 O VAL A 26 -11.656 -33.512 23.305 1.00 0.00 O ATOM 101 CB VAL A 26 -14.358 -33.547 22.003 1.00 0.00 C ATOM 102 CG1 VAL A 26 -14.633 -34.223 23.341 1.00 0.00 C ATOM 103 CG2 VAL A 26 -14.379 -32.032 22.148 1.00 0.00 C ATOM 0 H VAL A 26 -12.847 -35.867 22.370 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.017 -33.726 20.338 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.155 -33.834 21.317 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.579 -33.861 23.744 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.689 -35.302 23.199 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.828 -33.990 24.038 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.329 -31.721 22.583 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.562 -31.717 22.797 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.261 -31.571 21.167 1.00 0.00 H new ATOM 113 N VAL A 27 -11.000 -32.697 21.322 1.00 0.00 N ATOM 114 CA VAL A 27 -9.811 -32.062 21.853 1.00 0.00 C ATOM 115 C VAL A 27 -9.519 -30.764 21.106 1.00 0.00 C ATOM 116 O VAL A 27 -9.445 -30.742 19.876 1.00 0.00 O ATOM 117 CB VAL A 27 -8.588 -33.013 21.780 1.00 0.00 C ATOM 118 CG1 VAL A 27 -8.446 -33.628 20.394 1.00 0.00 C ATOM 119 CG2 VAL A 27 -7.312 -32.292 22.187 1.00 0.00 C ATOM 0 H VAL A 27 -11.131 -32.570 20.318 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.996 -31.829 22.902 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.759 -33.825 22.487 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.580 -34.289 20.376 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.343 -34.199 20.156 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.313 -32.836 19.657 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.470 -32.981 22.127 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.140 -31.450 21.517 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.410 -31.927 23.209 1.00 0.00 H new ATOM 129 N TYR A 28 -9.377 -29.678 21.846 1.00 0.00 N ATOM 130 CA TYR A 28 -9.073 -28.396 21.240 1.00 0.00 C ATOM 131 C TYR A 28 -7.715 -27.898 21.709 1.00 0.00 C ATOM 132 O TYR A 28 -7.448 -27.829 22.911 1.00 0.00 O ATOM 133 CB TYR A 28 -10.148 -27.355 21.559 1.00 0.00 C ATOM 134 CG TYR A 28 -9.897 -26.030 20.874 1.00 0.00 C ATOM 135 CD1 TYR A 28 -10.010 -25.908 19.496 1.00 0.00 C ATOM 136 CD2 TYR A 28 -9.524 -24.907 21.604 1.00 0.00 C ATOM 137 CE1 TYR A 28 -9.759 -24.708 18.863 1.00 0.00 C ATOM 138 CE2 TYR A 28 -9.276 -23.700 20.977 1.00 0.00 C ATOM 139 CZ TYR A 28 -9.393 -23.606 19.607 1.00 0.00 C ATOM 140 OH TYR A 28 -9.141 -22.409 18.978 1.00 0.00 O ATOM 0 H TYR A 28 -9.467 -29.659 22.862 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.051 -28.539 20.160 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -11.122 -27.739 21.254 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -10.190 -27.200 22.637 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.299 -26.767 18.909 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.427 -24.979 22.677 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.849 -24.632 17.789 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.992 -22.835 21.558 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.897 -21.734 19.645 1.00 0.00 H new ATOM 150 N ARG A 29 -6.859 -27.573 20.758 1.00 0.00 N ATOM 151 CA ARG A 29 -5.552 -27.019 21.064 1.00 0.00 C ATOM 152 C ARG A 29 -5.442 -25.614 20.489 1.00 0.00 C ATOM 153 O ARG A 29 -5.431 -25.433 19.270 1.00 0.00 O ATOM 154 CB ARG A 29 -4.439 -27.907 20.501 1.00 0.00 C ATOM 155 CG ARG A 29 -4.888 -28.803 19.358 1.00 0.00 C ATOM 156 CD ARG A 29 -3.769 -29.714 18.891 1.00 0.00 C ATOM 157 NE ARG A 29 -2.570 -28.963 18.530 1.00 0.00 N ATOM 158 CZ ARG A 29 -1.478 -29.512 18.010 1.00 0.00 C ATOM 159 NH1 ARG A 29 -1.426 -30.816 17.769 1.00 0.00 N ATOM 160 NH2 ARG A 29 -0.431 -28.751 17.720 1.00 0.00 N ATOM 0 H ARG A 29 -7.046 -27.684 19.762 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.438 -26.976 22.147 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.622 -27.274 20.155 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.042 -28.529 21.303 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.738 -29.405 19.679 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.229 -28.188 18.525 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.527 -30.426 19.680 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.107 -30.293 18.032 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.571 -27.955 18.687 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.229 -31.407 17.983 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.583 -31.228 17.369 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.466 -27.747 17.896 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.409 -29.170 17.321 1.00 0.00 H new ATOM 174 N PRO A 30 -5.380 -24.599 21.357 1.00 0.00 N ATOM 175 CA PRO A 30 -5.289 -23.198 20.945 1.00 0.00 C ATOM 176 C PRO A 30 -3.887 -22.828 20.468 1.00 0.00 C ATOM 177 O PRO A 30 -3.270 -21.897 20.986 1.00 0.00 O ATOM 178 CB PRO A 30 -5.644 -22.413 22.222 1.00 0.00 C ATOM 179 CG PRO A 30 -6.043 -23.436 23.238 1.00 0.00 C ATOM 180 CD PRO A 30 -5.400 -24.723 22.815 1.00 0.00 C ATOM 0 HA PRO A 30 -5.948 -22.982 20.104 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.792 -21.829 22.570 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.457 -21.711 22.035 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.711 -23.145 24.234 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.127 -23.539 23.281 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.397 -24.831 23.227 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.974 -25.590 23.141 1.00 0.00 H new ATOM 188 N ASP A 31 -3.380 -23.566 19.492 1.00 0.00 N ATOM 189 CA ASP A 31 -2.057 -23.294 18.947 1.00 0.00 C ATOM 190 C ASP A 31 -2.070 -23.281 17.421 1.00 0.00 C ATOM 191 O ASP A 31 -1.099 -22.864 16.788 1.00 0.00 O ATOM 192 CB ASP A 31 -1.036 -24.318 19.462 1.00 0.00 C ATOM 193 CG ASP A 31 -1.126 -25.661 18.764 1.00 0.00 C ATOM 194 OD1 ASP A 31 -2.045 -26.438 19.084 1.00 0.00 O ATOM 195 OD2 ASP A 31 -0.264 -25.959 17.909 1.00 0.00 O ATOM 0 H ASP A 31 -3.862 -24.355 19.062 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.762 -22.302 19.288 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.031 -23.916 19.332 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.185 -24.462 20.532 1.00 0.00 H new ATOM 200 N ILE A 32 -3.172 -23.723 16.824 1.00 0.00 N ATOM 201 CA ILE A 32 -3.265 -23.779 15.369 1.00 0.00 C ATOM 202 C ILE A 32 -4.474 -23.014 14.847 1.00 0.00 C ATOM 203 O ILE A 32 -5.585 -23.150 15.367 1.00 0.00 O ATOM 204 CB ILE A 32 -3.324 -25.231 14.832 1.00 0.00 C ATOM 205 CG1 ILE A 32 -3.347 -26.251 15.972 1.00 0.00 C ATOM 206 CG2 ILE A 32 -2.143 -25.499 13.913 1.00 0.00 C ATOM 207 CD1 ILE A 32 -4.740 -26.698 16.351 1.00 0.00 C ATOM 0 H ILE A 32 -4.005 -24.044 17.318 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.353 -23.308 15.003 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.250 -25.340 14.268 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.761 -27.123 15.681 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.862 -25.818 16.847 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.196 -26.523 13.542 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.172 -24.806 13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.214 -25.361 14.465 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.681 -27.421 17.165 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.324 -25.836 16.673 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.221 -27.161 15.489 1.00 0.00 H new ATOM 219 N ASN A 33 -4.221 -22.175 13.843 1.00 0.00 N ATOM 220 CA ASN A 33 -5.268 -21.503 13.065 1.00 0.00 C ATOM 221 C ASN A 33 -6.022 -20.446 13.869 1.00 0.00 C ATOM 222 O ASN A 33 -7.049 -19.931 13.417 1.00 0.00 O ATOM 223 CB ASN A 33 -6.253 -22.523 12.485 1.00 0.00 C ATOM 224 CG ASN A 33 -6.697 -22.160 11.080 1.00 0.00 C ATOM 225 OD1 ASN A 33 -7.887 -21.986 10.817 1.00 0.00 O ATOM 226 ND2 ASN A 33 -5.742 -22.049 10.166 1.00 0.00 N ATOM 0 H ASN A 33 -3.276 -21.939 13.542 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.760 -20.985 12.251 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -5.787 -23.508 12.473 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.126 -22.591 13.134 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.982 -21.811 9.204 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.767 -22.201 10.426 1.00 0.00 H new ATOM 233 N GLN A 34 -5.516 -20.104 15.044 1.00 0.00 N ATOM 234 CA GLN A 34 -6.138 -19.061 15.848 1.00 0.00 C ATOM 235 C GLN A 34 -5.385 -17.741 15.678 1.00 0.00 C ATOM 236 O GLN A 34 -4.466 -17.423 16.431 1.00 0.00 O ATOM 237 CB GLN A 34 -6.218 -19.475 17.325 1.00 0.00 C ATOM 238 CG GLN A 34 -4.911 -19.969 17.917 1.00 0.00 C ATOM 239 CD GLN A 34 -4.577 -19.268 19.221 1.00 0.00 C ATOM 240 OE1 GLN A 34 -5.093 -19.625 20.283 1.00 0.00 O ATOM 241 NE2 GLN A 34 -3.729 -18.255 19.151 1.00 0.00 N ATOM 0 H GLN A 34 -4.686 -20.527 15.459 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.160 -18.917 15.497 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.566 -18.623 17.909 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.967 -20.260 17.428 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.974 -21.044 18.089 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.105 -19.807 17.202 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.323 -17.991 18.253 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.481 -17.739 19.995 1.00 0.00 H new ATOM 250 N GLY A 35 -5.774 -16.990 14.658 1.00 0.00 N ATOM 251 CA GLY A 35 -5.128 -15.726 14.368 1.00 0.00 C ATOM 252 C GLY A 35 -5.247 -15.347 12.907 1.00 0.00 C ATOM 253 O GLY A 35 -4.994 -16.165 12.023 1.00 0.00 O ATOM 0 H GLY A 35 -6.532 -17.236 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.572 -14.943 14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.075 -15.787 14.642 1.00 0.00 H new ATOM 257 N ASN A 36 -5.648 -14.112 12.651 1.00 0.00 N ATOM 258 CA ASN A 36 -5.773 -13.613 11.287 1.00 0.00 C ATOM 259 C ASN A 36 -4.867 -12.411 11.091 1.00 0.00 C ATOM 260 O ASN A 36 -5.033 -11.631 10.151 1.00 0.00 O ATOM 261 CB ASN A 36 -7.219 -13.222 10.988 1.00 0.00 C ATOM 262 CG ASN A 36 -7.916 -14.215 10.078 1.00 0.00 C ATOM 263 OD1 ASN A 36 -8.678 -15.063 10.542 1.00 0.00 O ATOM 264 ND2 ASN A 36 -7.672 -14.121 8.780 1.00 0.00 N ATOM 0 H ASN A 36 -5.894 -13.433 13.371 1.00 0.00 H new ATOM 0 HA ASN A 36 -5.476 -14.406 10.601 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.771 -13.144 11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.236 -12.236 10.524 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.122 -14.764 8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.034 -13.405 8.431 1.00 0.00 H new ATOM 271 N TYR A 37 -3.907 -12.276 11.987 1.00 0.00 N ATOM 272 CA TYR A 37 -3.016 -11.130 12.004 1.00 0.00 C ATOM 273 C TYR A 37 -1.814 -11.443 12.875 1.00 0.00 C ATOM 274 O TYR A 37 -1.742 -12.520 13.472 1.00 0.00 O ATOM 275 CB TYR A 37 -3.749 -9.891 12.543 1.00 0.00 C ATOM 276 CG TYR A 37 -4.171 -10.008 13.995 1.00 0.00 C ATOM 277 CD1 TYR A 37 -5.330 -10.686 14.353 1.00 0.00 C ATOM 278 CD2 TYR A 37 -3.409 -9.437 15.008 1.00 0.00 C ATOM 279 CE1 TYR A 37 -5.718 -10.791 15.674 1.00 0.00 C ATOM 280 CE2 TYR A 37 -3.791 -9.539 16.332 1.00 0.00 C ATOM 281 CZ TYR A 37 -4.945 -10.217 16.659 1.00 0.00 C ATOM 282 OH TYR A 37 -5.328 -10.318 17.976 1.00 0.00 O ATOM 0 H TYR A 37 -3.723 -12.957 12.723 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.684 -10.919 10.988 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.101 -9.021 12.432 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.633 -9.710 11.932 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.938 -11.139 13.584 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.504 -8.905 14.756 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.623 -11.320 15.934 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.188 -9.089 17.107 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.673 -9.860 18.543 1.00 0.00 H new ATOM 292 N LEU A 38 -0.879 -10.513 12.956 1.00 0.00 N ATOM 293 CA LEU A 38 0.266 -10.673 13.834 1.00 0.00 C ATOM 294 C LEU A 38 0.286 -9.578 14.892 1.00 0.00 C ATOM 295 O LEU A 38 -0.049 -8.426 14.613 1.00 0.00 O ATOM 296 CB LEU A 38 1.570 -10.660 13.036 1.00 0.00 C ATOM 297 CG LEU A 38 2.725 -11.423 13.685 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.340 -12.874 13.934 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.965 -11.343 12.814 1.00 0.00 C ATOM 0 H LEU A 38 -0.890 -9.642 12.426 1.00 0.00 H new ATOM 0 HA LEU A 38 0.177 -11.639 14.332 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.381 -11.085 12.050 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.876 -9.625 12.884 1.00 0.00 H new ATOM 0 HG LEU A 38 2.945 -10.960 14.647 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.176 -13.398 14.396 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.476 -12.912 14.598 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.091 -13.352 12.987 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.779 -11.891 13.289 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.753 -11.781 11.839 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.255 -10.300 12.688 1.00 0.00 H new ATOM 311 N THR A 39 0.653 -9.954 16.105 1.00 0.00 N ATOM 312 CA THR A 39 0.753 -9.023 17.212 1.00 0.00 C ATOM 313 C THR A 39 2.017 -8.171 17.101 1.00 0.00 C ATOM 314 O THR A 39 3.054 -8.643 16.629 1.00 0.00 O ATOM 315 CB THR A 39 0.773 -9.795 18.541 1.00 0.00 C ATOM 316 OG1 THR A 39 0.666 -11.202 18.280 1.00 0.00 O ATOM 317 CG2 THR A 39 -0.369 -9.360 19.443 1.00 0.00 C ATOM 0 H THR A 39 0.890 -10.916 16.349 1.00 0.00 H new ATOM 0 HA THR A 39 -0.114 -8.363 17.180 1.00 0.00 H new ATOM 0 HB THR A 39 1.714 -9.580 19.048 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.172 -11.699 18.956 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.330 -9.922 20.376 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.278 -8.295 19.657 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.319 -9.550 18.944 1.00 0.00 H new ATOM 325 N ALA A 40 1.931 -6.920 17.540 1.00 0.00 N ATOM 326 CA ALA A 40 3.071 -6.013 17.499 1.00 0.00 C ATOM 327 C ALA A 40 4.199 -6.518 18.389 1.00 0.00 C ATOM 328 O ALA A 40 5.370 -6.494 18.003 1.00 0.00 O ATOM 329 CB ALA A 40 2.649 -4.613 17.916 1.00 0.00 C ATOM 0 H ALA A 40 1.082 -6.511 17.929 1.00 0.00 H new ATOM 0 HA ALA A 40 3.440 -5.975 16.474 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.511 -3.947 17.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.880 -4.247 17.236 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.253 -4.640 18.931 1.00 0.00 H new ATOM 335 N ASN A 41 3.837 -7.000 19.573 1.00 0.00 N ATOM 336 CA ASN A 41 4.816 -7.525 20.519 1.00 0.00 C ATOM 337 C ASN A 41 5.405 -8.837 20.019 1.00 0.00 C ATOM 338 O ASN A 41 6.502 -9.232 20.415 1.00 0.00 O ATOM 339 CB ASN A 41 4.183 -7.728 21.895 1.00 0.00 C ATOM 340 CG ASN A 41 5.219 -7.758 23.001 1.00 0.00 C ATOM 341 OD1 ASN A 41 5.903 -6.764 23.254 1.00 0.00 O ATOM 342 ND2 ASN A 41 5.345 -8.895 23.668 1.00 0.00 N ATOM 0 H ASN A 41 2.872 -7.038 19.901 1.00 0.00 H new ATOM 0 HA ASN A 41 5.620 -6.794 20.607 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.471 -6.926 22.088 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.620 -8.662 21.901 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.027 -8.971 24.422 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.760 -9.695 23.428 1.00 0.00 H new ATOM 349 N ASP A 42 4.679 -9.498 19.130 1.00 0.00 N ATOM 350 CA ASP A 42 5.125 -10.769 18.576 1.00 0.00 C ATOM 351 C ASP A 42 6.261 -10.540 17.587 1.00 0.00 C ATOM 352 O ASP A 42 7.176 -11.353 17.479 1.00 0.00 O ATOM 353 CB ASP A 42 3.961 -11.498 17.901 1.00 0.00 C ATOM 354 CG ASP A 42 3.555 -12.750 18.652 1.00 0.00 C ATOM 355 OD1 ASP A 42 4.218 -13.793 18.493 1.00 0.00 O ATOM 356 OD2 ASP A 42 2.561 -12.696 19.412 1.00 0.00 O ATOM 0 H ASP A 42 3.778 -9.176 18.776 1.00 0.00 H new ATOM 0 HA ASP A 42 5.493 -11.395 19.389 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.106 -10.826 17.830 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.243 -11.763 16.882 1.00 0.00 H new ATOM 361 N VAL A 43 6.201 -9.419 16.873 1.00 0.00 N ATOM 362 CA VAL A 43 7.285 -9.019 15.983 1.00 0.00 C ATOM 363 C VAL A 43 8.455 -8.467 16.796 1.00 0.00 C ATOM 364 O VAL A 43 9.616 -8.608 16.419 1.00 0.00 O ATOM 365 CB VAL A 43 6.814 -7.962 14.961 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.968 -7.474 14.096 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.710 -8.532 14.091 1.00 0.00 C ATOM 0 H VAL A 43 5.413 -8.772 16.894 1.00 0.00 H new ATOM 0 HA VAL A 43 7.609 -9.903 15.433 1.00 0.00 H new ATOM 0 HB VAL A 43 6.427 -7.107 15.515 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.603 -6.731 13.387 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.733 -7.026 14.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.395 -8.316 13.551 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.386 -7.778 13.374 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.083 -9.405 13.555 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.867 -8.823 14.717 1.00 0.00 H new ATOM 377 N SER A 44 8.137 -7.859 17.935 1.00 0.00 N ATOM 378 CA SER A 44 9.155 -7.337 18.844 1.00 0.00 C ATOM 379 C SER A 44 9.981 -8.464 19.465 1.00 0.00 C ATOM 380 O SER A 44 10.955 -8.212 20.172 1.00 0.00 O ATOM 381 CB SER A 44 8.500 -6.499 19.945 1.00 0.00 C ATOM 382 OG SER A 44 7.832 -5.370 19.400 1.00 0.00 O ATOM 0 H SER A 44 7.178 -7.715 18.252 1.00 0.00 H new ATOM 0 HA SER A 44 9.829 -6.706 18.264 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.790 -7.113 20.500 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.258 -6.169 20.655 1.00 0.00 H new ATOM 0 HG SER A 44 7.023 -5.663 18.930 1.00 0.00 H new ATOM 388 N LYS A 45 9.580 -9.706 19.208 1.00 0.00 N ATOM 389 CA LYS A 45 10.300 -10.863 19.718 1.00 0.00 C ATOM 390 C LYS A 45 11.644 -11.030 19.013 1.00 0.00 C ATOM 391 O LYS A 45 12.618 -11.478 19.617 1.00 0.00 O ATOM 392 CB LYS A 45 9.467 -12.129 19.536 1.00 0.00 C ATOM 393 CG LYS A 45 8.724 -12.557 20.790 1.00 0.00 C ATOM 394 CD LYS A 45 7.335 -13.074 20.458 1.00 0.00 C ATOM 395 CE LYS A 45 7.392 -14.380 19.679 1.00 0.00 C ATOM 396 NZ LYS A 45 6.118 -15.139 19.771 1.00 0.00 N ATOM 0 H LYS A 45 8.758 -9.934 18.648 1.00 0.00 H new ATOM 0 HA LYS A 45 10.483 -10.699 20.780 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.746 -11.967 18.735 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.121 -12.941 19.217 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.290 -13.334 21.304 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.646 -11.713 21.475 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.773 -13.224 21.380 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.798 -12.326 19.875 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.613 -14.169 18.633 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.208 -14.994 20.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.290 -16.137 19.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.744 -15.073 20.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.427 -14.739 19.104 1.00 0.00 H new ATOM 410 N ILE A 46 11.698 -10.660 17.738 1.00 0.00 N ATOM 411 CA ILE A 46 12.913 -10.838 16.953 1.00 0.00 C ATOM 412 C ILE A 46 13.774 -9.580 16.979 1.00 0.00 C ATOM 413 O ILE A 46 13.419 -8.583 17.609 1.00 0.00 O ATOM 414 CB ILE A 46 12.610 -11.229 15.490 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.778 -10.148 14.795 1.00 0.00 C ATOM 416 CG2 ILE A 46 11.893 -12.568 15.443 1.00 0.00 C ATOM 417 CD1 ILE A 46 12.482 -9.509 13.617 1.00 0.00 C ATOM 0 H ILE A 46 10.921 -10.238 17.230 1.00 0.00 H new ATOM 0 HA ILE A 46 13.462 -11.658 17.416 1.00 0.00 H new ATOM 0 HB ILE A 46 13.556 -11.319 14.956 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.840 -10.586 14.454 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.524 -9.374 15.520 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.685 -12.833 14.406 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.524 -13.334 15.894 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.956 -12.498 15.995 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.835 -8.753 13.173 1.00 0.00 H new ATOM 0 HD12 ILE A 46 13.407 -9.042 13.956 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.712 -10.272 12.873 1.00 0.00 H new ATOM 429 N ARG A 47 14.909 -9.638 16.295 1.00 0.00 N ATOM 430 CA ARG A 47 15.875 -8.547 16.297 1.00 0.00 C ATOM 431 C ARG A 47 16.526 -8.430 14.928 1.00 0.00 C ATOM 432 O ARG A 47 16.504 -9.380 14.145 1.00 0.00 O ATOM 433 CB ARG A 47 16.972 -8.786 17.348 1.00 0.00 C ATOM 434 CG ARG A 47 16.475 -9.379 18.657 1.00 0.00 C ATOM 435 CD ARG A 47 16.610 -8.397 19.810 1.00 0.00 C ATOM 436 NE ARG A 47 16.965 -9.073 21.058 1.00 0.00 N ATOM 437 CZ ARG A 47 16.089 -9.414 22.005 1.00 0.00 C ATOM 438 NH1 ARG A 47 14.805 -9.105 21.876 1.00 0.00 N ATOM 439 NH2 ARG A 47 16.502 -10.057 23.091 1.00 0.00 N ATOM 0 H ARG A 47 15.185 -10.438 15.726 1.00 0.00 H new ATOM 0 HA ARG A 47 15.343 -7.627 16.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 17.724 -9.452 16.925 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.468 -7.838 17.559 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.431 -9.672 18.550 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.038 -10.284 18.883 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.371 -7.655 19.569 1.00 0.00 H new ATOM 0 HD3 ARG A 47 15.671 -7.859 19.942 1.00 0.00 H new ATOM 0 HE ARG A 47 17.947 -9.299 21.215 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.482 -8.603 21.049 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.141 -9.369 22.604 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.489 -10.290 23.201 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.832 -10.318 23.815 1.00 0.00 H new ATOM 453 N VAL A 48 17.103 -7.274 14.639 1.00 0.00 N ATOM 454 CA VAL A 48 17.875 -7.102 13.420 1.00 0.00 C ATOM 455 C VAL A 48 19.171 -7.909 13.502 1.00 0.00 C ATOM 456 O VAL A 48 19.745 -8.075 14.584 1.00 0.00 O ATOM 457 CB VAL A 48 18.211 -5.618 13.149 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.013 -4.893 12.556 1.00 0.00 C ATOM 459 CG2 VAL A 48 18.689 -4.925 14.417 1.00 0.00 C ATOM 0 H VAL A 48 17.051 -6.444 15.230 1.00 0.00 H new ATOM 0 HA VAL A 48 17.261 -7.463 12.595 1.00 0.00 H new ATOM 0 HB VAL A 48 19.023 -5.585 12.422 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.273 -3.850 12.374 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.730 -5.366 11.616 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.176 -4.942 13.253 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.918 -3.882 14.197 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.907 -4.973 15.175 1.00 0.00 H new ATOM 0 HG23 VAL A 48 19.585 -5.423 14.788 1.00 0.00 H new ATOM 469 N GLY A 49 19.617 -8.424 12.369 1.00 0.00 N ATOM 470 CA GLY A 49 20.801 -9.263 12.348 1.00 0.00 C ATOM 471 C GLY A 49 20.486 -10.709 12.668 1.00 0.00 C ATOM 472 O GLY A 49 21.297 -11.598 12.414 1.00 0.00 O ATOM 0 H GLY A 49 19.181 -8.277 11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.268 -9.204 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.526 -8.883 13.068 1.00 0.00 H new ATOM 476 N MET A 50 19.303 -10.943 13.224 1.00 0.00 N ATOM 477 CA MET A 50 18.854 -12.288 13.529 1.00 0.00 C ATOM 478 C MET A 50 18.546 -13.031 12.234 1.00 0.00 C ATOM 479 O MET A 50 18.013 -12.443 11.290 1.00 0.00 O ATOM 480 CB MET A 50 17.623 -12.238 14.440 1.00 0.00 C ATOM 481 CG MET A 50 17.880 -12.746 15.850 1.00 0.00 C ATOM 482 SD MET A 50 18.467 -14.452 15.880 1.00 0.00 S ATOM 483 CE MET A 50 19.877 -14.304 16.974 1.00 0.00 C ATOM 0 H MET A 50 18.637 -10.211 13.472 1.00 0.00 H new ATOM 0 HA MET A 50 19.643 -12.824 14.057 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.265 -11.210 14.494 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.826 -12.830 13.990 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.616 -12.104 16.334 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.961 -12.672 16.431 1.00 0.00 H new ATOM 0 HE1 MET A 50 20.349 -15.279 17.093 1.00 0.00 H new ATOM 0 HE2 MET A 50 20.595 -13.603 16.549 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.546 -13.939 17.947 1.00 0.00 H new ATOM 493 N THR A 51 18.895 -14.310 12.190 1.00 0.00 N ATOM 494 CA THR A 51 18.799 -15.093 10.972 1.00 0.00 C ATOM 495 C THR A 51 17.355 -15.469 10.653 1.00 0.00 C ATOM 496 O THR A 51 16.551 -15.713 11.554 1.00 0.00 O ATOM 497 CB THR A 51 19.648 -16.368 11.098 1.00 0.00 C ATOM 498 OG1 THR A 51 19.964 -16.601 12.479 1.00 0.00 O ATOM 499 CG2 THR A 51 20.933 -16.246 10.293 1.00 0.00 C ATOM 0 H THR A 51 19.250 -14.828 12.994 1.00 0.00 H new ATOM 0 HA THR A 51 19.175 -14.478 10.155 1.00 0.00 H new ATOM 0 HB THR A 51 19.073 -17.206 10.705 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.504 -17.415 12.558 1.00 0.00 H new ATOM 0 HG21 THR A 51 21.516 -17.161 10.398 1.00 0.00 H new ATOM 0 HG22 THR A 51 20.690 -16.089 9.242 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.514 -15.401 10.661 1.00 0.00 H new ATOM 507 N GLN A 52 17.056 -15.523 9.358 1.00 0.00 N ATOM 508 CA GLN A 52 15.720 -15.828 8.850 1.00 0.00 C ATOM 509 C GLN A 52 15.146 -17.094 9.485 1.00 0.00 C ATOM 510 O GLN A 52 13.951 -17.171 9.746 1.00 0.00 O ATOM 511 CB GLN A 52 15.773 -15.964 7.320 1.00 0.00 C ATOM 512 CG GLN A 52 14.638 -16.778 6.712 1.00 0.00 C ATOM 513 CD GLN A 52 15.142 -17.930 5.862 1.00 0.00 C ATOM 514 OE1 GLN A 52 15.618 -18.940 6.386 1.00 0.00 O ATOM 515 NE2 GLN A 52 15.053 -17.787 4.549 1.00 0.00 N ATOM 0 H GLN A 52 17.742 -15.354 8.622 1.00 0.00 H new ATOM 0 HA GLN A 52 15.056 -15.007 9.119 1.00 0.00 H new ATOM 0 HB2 GLN A 52 15.763 -14.967 6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 52 16.721 -16.425 7.043 1.00 0.00 H new ATOM 0 HG2 GLN A 52 14.007 -17.168 7.510 1.00 0.00 H new ATOM 0 HG3 GLN A 52 14.013 -16.126 6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 52 14.653 -16.936 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.385 -18.528 3.932 1.00 0.00 H new ATOM 524 N GLN A 53 16.006 -18.071 9.754 1.00 0.00 N ATOM 525 CA GLN A 53 15.564 -19.340 10.322 1.00 0.00 C ATOM 526 C GLN A 53 14.996 -19.133 11.723 1.00 0.00 C ATOM 527 O GLN A 53 13.859 -19.511 12.009 1.00 0.00 O ATOM 528 CB GLN A 53 16.727 -20.337 10.365 1.00 0.00 C ATOM 529 CG GLN A 53 17.096 -20.899 9.002 1.00 0.00 C ATOM 530 CD GLN A 53 18.355 -20.274 8.436 1.00 0.00 C ATOM 531 OE1 GLN A 53 19.453 -20.500 8.939 1.00 0.00 O ATOM 532 NE2 GLN A 53 18.208 -19.478 7.388 1.00 0.00 N ATOM 0 H GLN A 53 17.011 -18.009 9.588 1.00 0.00 H new ATOM 0 HA GLN A 53 14.777 -19.745 9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.600 -19.846 10.795 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.465 -21.160 11.030 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.235 -21.977 9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.270 -20.735 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.280 -19.314 6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 53 19.023 -19.028 6.971 1.00 0.00 H new ATOM 541 N GLN A 54 15.782 -18.503 12.583 1.00 0.00 N ATOM 542 CA GLN A 54 15.366 -18.253 13.957 1.00 0.00 C ATOM 543 C GLN A 54 14.269 -17.198 14.008 1.00 0.00 C ATOM 544 O GLN A 54 13.372 -17.266 14.846 1.00 0.00 O ATOM 545 CB GLN A 54 16.567 -17.805 14.794 1.00 0.00 C ATOM 546 CG GLN A 54 16.819 -18.661 16.026 1.00 0.00 C ATOM 547 CD GLN A 54 16.335 -20.091 15.866 1.00 0.00 C ATOM 548 OE1 GLN A 54 15.360 -20.504 16.495 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.016 -20.858 15.031 1.00 0.00 N ATOM 0 H GLN A 54 16.713 -18.155 12.354 1.00 0.00 H new ATOM 0 HA GLN A 54 14.968 -19.180 14.370 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.458 -17.818 14.167 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.413 -16.772 15.107 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.887 -18.667 16.245 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.321 -18.209 16.884 1.00 0.00 H new ATOM 0 HE21 GLN A 54 17.818 -20.478 14.528 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.739 -21.829 14.890 1.00 0.00 H new ATOM 558 N VAL A 55 14.340 -16.227 13.105 1.00 0.00 N ATOM 559 CA VAL A 55 13.308 -15.209 13.002 1.00 0.00 C ATOM 560 C VAL A 55 11.973 -15.864 12.661 1.00 0.00 C ATOM 561 O VAL A 55 10.944 -15.535 13.244 1.00 0.00 O ATOM 562 CB VAL A 55 13.667 -14.139 11.946 1.00 0.00 C ATOM 563 CG1 VAL A 55 12.445 -13.327 11.538 1.00 0.00 C ATOM 564 CG2 VAL A 55 14.757 -13.221 12.475 1.00 0.00 C ATOM 0 H VAL A 55 15.102 -16.125 12.435 1.00 0.00 H new ATOM 0 HA VAL A 55 13.230 -14.705 13.965 1.00 0.00 H new ATOM 0 HB VAL A 55 14.036 -14.655 11.060 1.00 0.00 H new ATOM 0 HG11 VAL A 55 12.734 -12.584 10.794 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.692 -13.991 11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.034 -12.824 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.000 -12.472 11.721 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.407 -12.724 13.380 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.647 -13.807 12.704 1.00 0.00 H new ATOM 574 N ALA A 56 12.012 -16.825 11.746 1.00 0.00 N ATOM 575 CA ALA A 56 10.820 -17.562 11.355 1.00 0.00 C ATOM 576 C ALA A 56 10.317 -18.422 12.507 1.00 0.00 C ATOM 577 O ALA A 56 9.108 -18.553 12.721 1.00 0.00 O ATOM 578 CB ALA A 56 11.110 -18.428 10.138 1.00 0.00 C ATOM 0 H ALA A 56 12.861 -17.112 11.260 1.00 0.00 H new ATOM 0 HA ALA A 56 10.042 -16.844 11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.209 -18.974 9.857 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.425 -17.795 9.308 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.904 -19.136 10.376 1.00 0.00 H new ATOM 584 N TYR A 57 11.256 -18.996 13.253 1.00 0.00 N ATOM 585 CA TYR A 57 10.926 -19.857 14.378 1.00 0.00 C ATOM 586 C TYR A 57 10.309 -19.065 15.533 1.00 0.00 C ATOM 587 O TYR A 57 9.440 -19.567 16.247 1.00 0.00 O ATOM 588 CB TYR A 57 12.170 -20.605 14.855 1.00 0.00 C ATOM 589 CG TYR A 57 12.197 -22.052 14.416 1.00 0.00 C ATOM 590 CD1 TYR A 57 11.305 -22.972 14.953 1.00 0.00 C ATOM 591 CD2 TYR A 57 13.100 -22.497 13.459 1.00 0.00 C ATOM 592 CE1 TYR A 57 11.314 -24.293 14.553 1.00 0.00 C ATOM 593 CE2 TYR A 57 13.114 -23.818 13.050 1.00 0.00 C ATOM 594 CZ TYR A 57 12.217 -24.712 13.601 1.00 0.00 C ATOM 595 OH TYR A 57 12.219 -26.029 13.196 1.00 0.00 O ATOM 0 H TYR A 57 12.257 -18.878 13.095 1.00 0.00 H new ATOM 0 HA TYR A 57 10.184 -20.578 14.036 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.058 -20.100 14.476 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.218 -20.561 15.943 1.00 0.00 H new ATOM 0 HD1 TYR A 57 10.592 -22.648 15.697 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.803 -21.800 13.027 1.00 0.00 H new ATOM 0 HE1 TYR A 57 10.616 -24.995 14.985 1.00 0.00 H new ATOM 0 HE2 TYR A 57 13.822 -24.148 12.304 1.00 0.00 H new ATOM 0 HH TYR A 57 12.915 -26.162 12.519 1.00 0.00 H new ATOM 605 N ALA A 58 10.761 -17.831 15.712 1.00 0.00 N ATOM 606 CA ALA A 58 10.259 -16.984 16.787 1.00 0.00 C ATOM 607 C ALA A 58 8.984 -16.254 16.375 1.00 0.00 C ATOM 608 O ALA A 58 8.043 -16.139 17.161 1.00 0.00 O ATOM 609 CB ALA A 58 11.324 -15.986 17.221 1.00 0.00 C ATOM 0 H ALA A 58 11.474 -17.394 15.128 1.00 0.00 H new ATOM 0 HA ALA A 58 10.016 -17.630 17.631 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.932 -15.362 18.024 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.204 -16.524 17.575 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.600 -15.357 16.375 1.00 0.00 H new ATOM 615 N LEU A 59 8.955 -15.767 15.141 1.00 0.00 N ATOM 616 CA LEU A 59 7.819 -15.004 14.635 1.00 0.00 C ATOM 617 C LEU A 59 6.595 -15.891 14.444 1.00 0.00 C ATOM 618 O LEU A 59 5.479 -15.515 14.805 1.00 0.00 O ATOM 619 CB LEU A 59 8.181 -14.337 13.304 1.00 0.00 C ATOM 620 CG LEU A 59 7.842 -12.855 13.198 1.00 0.00 C ATOM 621 CD1 LEU A 59 9.109 -12.020 13.214 1.00 0.00 C ATOM 622 CD2 LEU A 59 7.055 -12.588 11.929 1.00 0.00 C ATOM 0 H LEU A 59 9.711 -15.888 14.467 1.00 0.00 H new ATOM 0 HA LEU A 59 7.578 -14.240 15.374 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.251 -14.460 13.135 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.669 -14.867 12.501 1.00 0.00 H new ATOM 0 HG LEU A 59 7.231 -12.576 14.056 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.850 -10.964 13.138 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.648 -12.195 14.145 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.740 -12.301 12.371 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.819 -11.526 11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.650 -12.881 11.064 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.131 -13.165 11.946 1.00 0.00 H new ATOM 634 N GLY A 60 6.816 -17.071 13.887 1.00 0.00 N ATOM 635 CA GLY A 60 5.716 -17.942 13.538 1.00 0.00 C ATOM 636 C GLY A 60 5.417 -17.866 12.057 1.00 0.00 C ATOM 637 O GLY A 60 4.317 -17.485 11.653 1.00 0.00 O ATOM 0 H GLY A 60 7.741 -17.442 13.670 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.959 -18.969 13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.830 -17.661 14.107 1.00 0.00 H new ATOM 641 N THR A 61 6.412 -18.207 11.247 1.00 0.00 N ATOM 642 CA THR A 61 6.291 -18.131 9.800 1.00 0.00 C ATOM 643 C THR A 61 5.369 -19.234 9.273 1.00 0.00 C ATOM 644 O THR A 61 5.288 -20.319 9.854 1.00 0.00 O ATOM 645 CB THR A 61 7.693 -18.216 9.131 1.00 0.00 C ATOM 646 OG1 THR A 61 7.777 -17.310 8.025 1.00 0.00 O ATOM 647 CG2 THR A 61 8.026 -19.625 8.654 1.00 0.00 C ATOM 0 H THR A 61 7.319 -18.541 11.574 1.00 0.00 H new ATOM 0 HA THR A 61 5.847 -17.169 9.543 1.00 0.00 H new ATOM 0 HB THR A 61 8.420 -17.940 9.894 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.687 -16.951 7.965 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.015 -19.630 8.195 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.017 -20.308 9.503 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.285 -19.946 7.922 1.00 0.00 H new ATOM 655 N PRO A 62 4.633 -18.953 8.187 1.00 0.00 N ATOM 656 CA PRO A 62 3.780 -19.939 7.519 1.00 0.00 C ATOM 657 C PRO A 62 4.606 -20.977 6.769 1.00 0.00 C ATOM 658 O PRO A 62 5.798 -20.777 6.521 1.00 0.00 O ATOM 659 CB PRO A 62 2.952 -19.104 6.527 1.00 0.00 C ATOM 660 CG PRO A 62 3.205 -17.678 6.891 1.00 0.00 C ATOM 661 CD PRO A 62 4.559 -17.645 7.527 1.00 0.00 C ATOM 0 HA PRO A 62 3.169 -20.496 8.229 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.253 -19.305 5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.892 -19.345 6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.174 -17.039 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.443 -17.310 7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.351 -17.518 6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.653 -16.825 8.239 1.00 0.00 H new ATOM 669 N LEU A 63 3.974 -22.079 6.397 1.00 0.00 N ATOM 670 CA LEU A 63 4.675 -23.145 5.695 1.00 0.00 C ATOM 671 C LEU A 63 4.877 -22.772 4.231 1.00 0.00 C ATOM 672 O LEU A 63 4.084 -23.145 3.367 1.00 0.00 O ATOM 673 CB LEU A 63 3.896 -24.460 5.799 1.00 0.00 C ATOM 674 CG LEU A 63 3.283 -24.741 7.173 1.00 0.00 C ATOM 675 CD1 LEU A 63 1.841 -25.209 7.040 1.00 0.00 C ATOM 676 CD2 LEU A 63 4.110 -25.767 7.931 1.00 0.00 C ATOM 0 H LEU A 63 2.985 -22.259 6.567 1.00 0.00 H new ATOM 0 HA LEU A 63 5.651 -23.280 6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.098 -24.452 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.564 -25.282 5.541 1.00 0.00 H new ATOM 0 HG LEU A 63 3.287 -23.810 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.428 -25.402 8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.252 -24.437 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.809 -26.124 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.657 -25.952 8.905 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.144 -26.697 7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.123 -25.388 8.068 1.00 0.00 H new ATOM 688 N MET A 64 5.949 -22.041 3.966 1.00 0.00 N ATOM 689 CA MET A 64 6.261 -21.586 2.620 1.00 0.00 C ATOM 690 C MET A 64 7.768 -21.600 2.394 1.00 0.00 C ATOM 691 O MET A 64 8.545 -21.811 3.331 1.00 0.00 O ATOM 692 CB MET A 64 5.712 -20.172 2.394 1.00 0.00 C ATOM 693 CG MET A 64 4.557 -20.109 1.409 1.00 0.00 C ATOM 694 SD MET A 64 3.937 -18.430 1.176 1.00 0.00 S ATOM 695 CE MET A 64 2.300 -18.577 1.890 1.00 0.00 C ATOM 0 H MET A 64 6.623 -21.748 4.673 1.00 0.00 H new ATOM 0 HA MET A 64 5.790 -22.264 1.908 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.384 -19.763 3.350 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.519 -19.533 2.034 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.881 -20.510 0.448 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.747 -20.746 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 64 1.786 -17.618 1.822 1.00 0.00 H new ATOM 0 HE2 MET A 64 1.732 -19.332 1.346 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.384 -18.870 2.936 1.00 0.00 H new ATOM 705 N SER A 65 8.176 -21.381 1.157 1.00 0.00 N ATOM 706 CA SER A 65 9.587 -21.267 0.827 1.00 0.00 C ATOM 707 C SER A 65 9.861 -19.893 0.223 1.00 0.00 C ATOM 708 O SER A 65 8.950 -19.068 0.113 1.00 0.00 O ATOM 709 CB SER A 65 9.996 -22.376 -0.145 1.00 0.00 C ATOM 710 OG SER A 65 8.862 -23.075 -0.630 1.00 0.00 O ATOM 0 H SER A 65 7.548 -21.278 0.360 1.00 0.00 H new ATOM 0 HA SER A 65 10.179 -21.377 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.547 -21.946 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.669 -23.072 0.355 1.00 0.00 H new ATOM 0 HG SER A 65 9.151 -23.777 -1.250 1.00 0.00 H new ATOM 716 N ASP A 66 11.104 -19.642 -0.172 1.00 0.00 N ATOM 717 CA ASP A 66 11.476 -18.352 -0.747 1.00 0.00 C ATOM 718 C ASP A 66 12.219 -18.514 -2.083 1.00 0.00 C ATOM 719 O ASP A 66 13.287 -17.932 -2.285 1.00 0.00 O ATOM 720 CB ASP A 66 12.339 -17.560 0.249 1.00 0.00 C ATOM 721 CG ASP A 66 13.689 -18.207 0.530 1.00 0.00 C ATOM 722 OD1 ASP A 66 13.752 -19.452 0.646 1.00 0.00 O ATOM 723 OD2 ASP A 66 14.694 -17.468 0.640 1.00 0.00 O ATOM 0 H ASP A 66 11.870 -20.312 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 66 10.557 -17.801 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.501 -16.555 -0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.793 -17.454 1.187 1.00 0.00 H new ATOM 728 N PRO A 67 11.643 -19.256 -3.055 1.00 0.00 N ATOM 729 CA PRO A 67 12.320 -19.537 -4.323 1.00 0.00 C ATOM 730 C PRO A 67 12.263 -18.351 -5.278 1.00 0.00 C ATOM 731 O PRO A 67 12.866 -18.368 -6.353 1.00 0.00 O ATOM 732 CB PRO A 67 11.535 -20.720 -4.881 1.00 0.00 C ATOM 733 CG PRO A 67 10.154 -20.542 -4.350 1.00 0.00 C ATOM 734 CD PRO A 67 10.289 -19.851 -3.016 1.00 0.00 C ATOM 0 HA PRO A 67 13.382 -19.741 -4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.543 -20.722 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.964 -21.668 -4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 67 9.550 -19.947 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.655 -21.505 -4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.522 -19.088 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.186 -20.555 -2.190 1.00 0.00 H new ATOM 742 N PHE A 68 11.541 -17.320 -4.867 1.00 0.00 N ATOM 743 CA PHE A 68 11.410 -16.100 -5.651 1.00 0.00 C ATOM 744 C PHE A 68 12.459 -15.082 -5.222 1.00 0.00 C ATOM 745 O PHE A 68 12.575 -14.010 -5.812 1.00 0.00 O ATOM 746 CB PHE A 68 10.014 -15.499 -5.466 1.00 0.00 C ATOM 747 CG PHE A 68 9.004 -15.960 -6.476 1.00 0.00 C ATOM 748 CD1 PHE A 68 9.124 -15.606 -7.808 1.00 0.00 C ATOM 749 CD2 PHE A 68 7.928 -16.739 -6.085 1.00 0.00 C ATOM 750 CE1 PHE A 68 8.189 -16.024 -8.736 1.00 0.00 C ATOM 751 CE2 PHE A 68 6.989 -17.160 -7.008 1.00 0.00 C ATOM 752 CZ PHE A 68 7.120 -16.802 -8.335 1.00 0.00 C ATOM 0 H PHE A 68 11.031 -17.304 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 68 11.559 -16.349 -6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.653 -15.749 -4.468 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.090 -14.413 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.957 -14.997 -8.126 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.821 -17.021 -5.048 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.294 -15.743 -9.773 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.154 -17.768 -6.692 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.388 -17.130 -9.058 1.00 0.00 H new ATOM 762 N GLY A 69 13.217 -15.423 -4.188 1.00 0.00 N ATOM 763 CA GLY A 69 14.177 -14.491 -3.636 1.00 0.00 C ATOM 764 C GLY A 69 13.524 -13.656 -2.567 1.00 0.00 C ATOM 765 O GLY A 69 13.806 -12.465 -2.417 1.00 0.00 O ATOM 0 H GLY A 69 13.183 -16.330 -3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.025 -15.034 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.567 -13.848 -4.425 1.00 0.00 H new ATOM 769 N THR A 70 12.628 -14.298 -1.837 1.00 0.00 N ATOM 770 CA THR A 70 11.786 -13.626 -0.876 1.00 0.00 C ATOM 771 C THR A 70 12.546 -13.242 0.393 1.00 0.00 C ATOM 772 O THR A 70 12.567 -13.989 1.373 1.00 0.00 O ATOM 773 CB THR A 70 10.587 -14.515 -0.512 1.00 0.00 C ATOM 774 OG1 THR A 70 10.315 -15.423 -1.594 1.00 0.00 O ATOM 775 CG2 THR A 70 9.353 -13.675 -0.216 1.00 0.00 C ATOM 0 H THR A 70 12.467 -15.303 -1.898 1.00 0.00 H new ATOM 0 HA THR A 70 11.437 -12.705 -1.343 1.00 0.00 H new ATOM 0 HB THR A 70 10.835 -15.080 0.387 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.462 -15.878 -1.433 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.520 -14.330 0.039 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.559 -13.008 0.621 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.095 -13.085 -1.095 1.00 0.00 H new ATOM 783 N ASN A 71 13.172 -12.075 0.367 1.00 0.00 N ATOM 784 CA ASN A 71 13.859 -11.557 1.542 1.00 0.00 C ATOM 785 C ASN A 71 13.017 -10.485 2.212 1.00 0.00 C ATOM 786 O ASN A 71 13.464 -9.807 3.138 1.00 0.00 O ATOM 787 CB ASN A 71 15.232 -10.992 1.176 1.00 0.00 C ATOM 788 CG ASN A 71 16.219 -12.059 0.747 1.00 0.00 C ATOM 789 OD1 ASN A 71 16.179 -13.210 1.403 1.00 0.00 O flip ATOM 790 ND2 ASN A 71 17.016 -11.846 -0.163 1.00 0.00 N flip ATOM 0 H ASN A 71 13.219 -11.469 -0.452 1.00 0.00 H new ATOM 0 HA ASN A 71 14.006 -12.384 2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.117 -10.267 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.637 -10.454 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.014 -10.946 -0.643 1.00 0.00 H new ATOM 0 HD22 ASN A 71 17.680 -12.569 -0.439 1.00 0.00 H new ATOM 797 N THR A 72 11.795 -10.337 1.728 1.00 0.00 N ATOM 798 CA THR A 72 10.849 -9.409 2.315 1.00 0.00 C ATOM 799 C THR A 72 9.591 -10.146 2.748 1.00 0.00 C ATOM 800 O THR A 72 8.945 -10.818 1.941 1.00 0.00 O ATOM 801 CB THR A 72 10.463 -8.294 1.329 1.00 0.00 C ATOM 802 OG1 THR A 72 10.755 -8.701 -0.017 1.00 0.00 O ATOM 803 CG2 THR A 72 11.212 -7.011 1.647 1.00 0.00 C ATOM 0 H THR A 72 11.435 -10.852 0.925 1.00 0.00 H new ATOM 0 HA THR A 72 11.332 -8.955 3.180 1.00 0.00 H new ATOM 0 HB THR A 72 9.393 -8.109 1.427 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.504 -7.985 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.924 -6.236 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.966 -6.687 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.285 -7.189 1.574 1.00 0.00 H new ATOM 811 N TRP A 73 9.251 -10.027 4.016 1.00 0.00 N ATOM 812 CA TRP A 73 8.075 -10.688 4.554 1.00 0.00 C ATOM 813 C TRP A 73 6.958 -9.679 4.768 1.00 0.00 C ATOM 814 O TRP A 73 7.200 -8.575 5.250 1.00 0.00 O ATOM 815 CB TRP A 73 8.417 -11.383 5.870 1.00 0.00 C ATOM 816 CG TRP A 73 8.986 -12.759 5.688 1.00 0.00 C ATOM 817 CD1 TRP A 73 9.022 -13.490 4.536 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.601 -13.569 6.695 1.00 0.00 C ATOM 819 NE1 TRP A 73 9.620 -14.703 4.765 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.987 -14.776 6.080 1.00 0.00 C ATOM 821 CE3 TRP A 73 9.865 -13.393 8.058 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.622 -15.798 6.778 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.497 -14.410 8.748 1.00 0.00 C ATOM 824 CH2 TRP A 73 10.868 -15.598 8.107 1.00 0.00 C ATOM 0 H TRP A 73 9.774 -9.476 4.697 1.00 0.00 H new ATOM 0 HA TRP A 73 7.737 -11.438 3.839 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.133 -10.772 6.419 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.517 -11.448 6.482 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.636 -13.161 3.583 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.767 -15.432 4.067 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.580 -12.480 8.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.910 -16.716 6.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 10.708 -14.286 9.800 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.360 -16.374 8.676 1.00 0.00 H new ATOM 835 N PHE A 74 5.742 -10.058 4.399 1.00 0.00 N ATOM 836 CA PHE A 74 4.594 -9.175 4.532 1.00 0.00 C ATOM 837 C PHE A 74 3.565 -9.794 5.468 1.00 0.00 C ATOM 838 O PHE A 74 3.003 -10.850 5.176 1.00 0.00 O ATOM 839 CB PHE A 74 3.959 -8.898 3.163 1.00 0.00 C ATOM 840 CG PHE A 74 4.948 -8.822 2.031 1.00 0.00 C ATOM 841 CD1 PHE A 74 5.744 -7.700 1.859 1.00 0.00 C ATOM 842 CD2 PHE A 74 5.077 -9.874 1.138 1.00 0.00 C ATOM 843 CE1 PHE A 74 6.653 -7.630 0.819 1.00 0.00 C ATOM 844 CE2 PHE A 74 5.983 -9.812 0.097 1.00 0.00 C ATOM 845 CZ PHE A 74 6.774 -8.688 -0.064 1.00 0.00 C ATOM 0 H PHE A 74 5.526 -10.973 4.004 1.00 0.00 H new ATOM 0 HA PHE A 74 4.935 -8.228 4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.234 -9.682 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.408 -7.959 3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.653 -6.871 2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.461 -10.753 1.257 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.268 -6.750 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.074 -10.640 -0.591 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.484 -8.637 -0.877 1.00 0.00 H new ATOM 855 N TYR A 75 3.337 -9.147 6.598 1.00 0.00 N ATOM 856 CA TYR A 75 2.392 -9.644 7.585 1.00 0.00 C ATOM 857 C TYR A 75 1.255 -8.653 7.797 1.00 0.00 C ATOM 858 O TYR A 75 1.449 -7.440 7.696 1.00 0.00 O ATOM 859 CB TYR A 75 3.103 -9.909 8.914 1.00 0.00 C ATOM 860 CG TYR A 75 3.733 -11.281 9.002 1.00 0.00 C ATOM 861 CD1 TYR A 75 5.022 -11.504 8.540 1.00 0.00 C ATOM 862 CD2 TYR A 75 3.036 -12.351 9.545 1.00 0.00 C ATOM 863 CE1 TYR A 75 5.601 -12.756 8.616 1.00 0.00 C ATOM 864 CE2 TYR A 75 3.606 -13.607 9.625 1.00 0.00 C ATOM 865 CZ TYR A 75 4.887 -13.804 9.159 1.00 0.00 C ATOM 866 OH TYR A 75 5.457 -15.052 9.238 1.00 0.00 O ATOM 0 H TYR A 75 3.795 -8.273 6.856 1.00 0.00 H new ATOM 0 HA TYR A 75 1.973 -10.578 7.210 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.875 -9.154 9.060 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.387 -9.794 9.728 1.00 0.00 H new ATOM 0 HD1 TYR A 75 5.582 -10.685 8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.031 -12.199 9.911 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.606 -12.913 8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.050 -14.430 10.050 1.00 0.00 H new ATOM 0 HH TYR A 75 5.981 -15.121 10.063 1.00 0.00 H new ATOM 876 N VAL A 76 0.076 -9.171 8.105 1.00 0.00 N ATOM 877 CA VAL A 76 -1.088 -8.329 8.345 1.00 0.00 C ATOM 878 C VAL A 76 -1.106 -7.861 9.793 1.00 0.00 C ATOM 879 O VAL A 76 -1.196 -8.671 10.719 1.00 0.00 O ATOM 880 CB VAL A 76 -2.403 -9.073 8.035 1.00 0.00 C ATOM 881 CG1 VAL A 76 -3.594 -8.126 8.108 1.00 0.00 C ATOM 882 CG2 VAL A 76 -2.333 -9.734 6.667 1.00 0.00 C ATOM 0 H VAL A 76 -0.101 -10.171 8.195 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.014 -7.471 7.677 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.538 -9.849 8.789 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.509 -8.675 7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.660 -7.701 9.110 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.466 -7.324 7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.270 -10.254 6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.169 -8.974 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.510 -10.449 6.650 1.00 0.00 H new ATOM 892 N PHE A 77 -1.027 -6.556 9.991 1.00 0.00 N ATOM 893 CA PHE A 77 -0.937 -6.003 11.329 1.00 0.00 C ATOM 894 C PHE A 77 -2.258 -5.384 11.763 1.00 0.00 C ATOM 895 O PHE A 77 -2.715 -4.392 11.189 1.00 0.00 O ATOM 896 CB PHE A 77 0.178 -4.960 11.396 1.00 0.00 C ATOM 897 CG PHE A 77 1.262 -5.312 12.365 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.719 -6.613 12.464 1.00 0.00 C ATOM 899 CD2 PHE A 77 1.826 -4.340 13.177 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.718 -6.944 13.354 1.00 0.00 C ATOM 901 CE2 PHE A 77 2.828 -4.665 14.069 1.00 0.00 C ATOM 902 CZ PHE A 77 3.275 -5.968 14.158 1.00 0.00 C ATOM 0 H PHE A 77 -1.023 -5.862 9.243 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.706 -6.819 12.013 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.613 -4.839 10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.251 -3.998 11.675 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.288 -7.379 11.836 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.478 -3.320 13.111 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.065 -7.964 13.423 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.262 -3.901 14.697 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.059 -6.224 14.855 1.00 0.00 H new ATOM 912 N ARG A 78 -2.871 -5.978 12.777 1.00 0.00 N ATOM 913 CA ARG A 78 -4.079 -5.424 13.359 1.00 0.00 C ATOM 914 C ARG A 78 -3.709 -4.537 14.536 1.00 0.00 C ATOM 915 O ARG A 78 -3.363 -5.026 15.612 1.00 0.00 O ATOM 916 CB ARG A 78 -5.025 -6.539 13.809 1.00 0.00 C ATOM 917 CG ARG A 78 -6.493 -6.166 13.722 1.00 0.00 C ATOM 918 CD ARG A 78 -7.372 -7.244 14.337 1.00 0.00 C ATOM 919 NE ARG A 78 -8.425 -6.681 15.175 1.00 0.00 N ATOM 920 CZ ARG A 78 -9.354 -7.407 15.795 1.00 0.00 C ATOM 921 NH1 ARG A 78 -9.385 -8.725 15.636 1.00 0.00 N ATOM 922 NH2 ARG A 78 -10.262 -6.810 16.553 1.00 0.00 N ATOM 0 H ARG A 78 -2.550 -6.843 13.212 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.596 -4.829 12.606 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.847 -7.423 13.197 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.789 -6.811 14.838 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.661 -5.219 14.235 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.772 -6.017 12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.821 -7.841 13.544 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.756 -7.917 14.933 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.452 -5.668 15.294 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.697 -9.183 15.038 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.097 -9.279 16.111 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.249 -5.796 16.661 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.974 -7.365 17.028 1.00 0.00 H new ATOM 936 N GLN A 79 -3.770 -3.238 14.315 1.00 0.00 N ATOM 937 CA GLN A 79 -3.370 -2.266 15.316 1.00 0.00 C ATOM 938 C GLN A 79 -4.160 -0.978 15.120 1.00 0.00 C ATOM 939 O GLN A 79 -4.522 -0.646 13.986 1.00 0.00 O ATOM 940 CB GLN A 79 -1.855 -2.020 15.200 1.00 0.00 C ATOM 941 CG GLN A 79 -1.393 -0.630 15.609 1.00 0.00 C ATOM 942 CD GLN A 79 -0.680 -0.624 16.944 1.00 0.00 C ATOM 943 OE1 GLN A 79 -0.939 0.225 17.796 1.00 0.00 O ATOM 944 NE2 GLN A 79 0.222 -1.572 17.137 1.00 0.00 N ATOM 0 H GLN A 79 -4.097 -2.827 13.440 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.583 -2.642 16.317 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.335 -2.754 15.816 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.552 -2.198 14.168 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.727 -0.233 14.843 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.255 0.036 15.658 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.407 -2.257 16.404 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.733 -1.618 18.019 1.00 0.00 H new ATOM 953 N GLN A 80 -4.446 -0.286 16.229 1.00 0.00 N ATOM 954 CA GLN A 80 -5.165 0.992 16.216 1.00 0.00 C ATOM 955 C GLN A 80 -6.650 0.796 15.909 1.00 0.00 C ATOM 956 O GLN A 80 -7.031 -0.112 15.173 1.00 0.00 O ATOM 957 CB GLN A 80 -4.542 1.966 15.211 1.00 0.00 C ATOM 958 CG GLN A 80 -3.342 2.722 15.758 1.00 0.00 C ATOM 959 CD GLN A 80 -2.410 3.197 14.665 1.00 0.00 C ATOM 960 OE1 GLN A 80 -1.895 2.403 13.878 1.00 0.00 O ATOM 961 NE2 GLN A 80 -2.195 4.500 14.601 1.00 0.00 N ATOM 0 H GLN A 80 -4.184 -0.598 17.164 1.00 0.00 H new ATOM 0 HA GLN A 80 -5.078 1.420 17.214 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.238 1.413 14.323 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.300 2.683 14.896 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.689 3.580 16.334 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -2.793 2.078 16.445 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.642 5.124 15.273 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.583 4.881 13.880 1.00 0.00 H new ATOM 970 N PRO A 81 -7.514 1.656 16.480 1.00 0.00 N ATOM 971 CA PRO A 81 -8.960 1.610 16.245 1.00 0.00 C ATOM 972 C PRO A 81 -9.342 2.082 14.841 1.00 0.00 C ATOM 973 O PRO A 81 -10.519 2.076 14.472 1.00 0.00 O ATOM 974 CB PRO A 81 -9.541 2.567 17.301 1.00 0.00 C ATOM 975 CG PRO A 81 -8.413 2.869 18.234 1.00 0.00 C ATOM 976 CD PRO A 81 -7.158 2.721 17.426 1.00 0.00 C ATOM 0 HA PRO A 81 -9.341 0.591 16.321 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.921 3.478 16.838 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.375 2.107 17.831 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.500 3.878 18.638 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.414 2.184 19.082 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.893 3.646 16.915 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.306 2.444 18.047 1.00 0.00 H new ATOM 984 N GLY A 82 -8.349 2.502 14.070 1.00 0.00 N ATOM 985 CA GLY A 82 -8.589 2.912 12.702 1.00 0.00 C ATOM 986 C GLY A 82 -8.764 4.408 12.556 1.00 0.00 C ATOM 987 O GLY A 82 -9.251 5.081 13.467 1.00 0.00 O ATOM 0 H GLY A 82 -7.376 2.566 14.370 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.756 2.587 12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.481 2.409 12.329 1.00 0.00 H new ATOM 991 N HIS A 83 -8.354 4.932 11.412 1.00 0.00 N ATOM 992 CA HIS A 83 -8.528 6.340 11.098 1.00 0.00 C ATOM 993 C HIS A 83 -9.398 6.488 9.860 1.00 0.00 C ATOM 994 O HIS A 83 -9.041 6.010 8.782 1.00 0.00 O ATOM 995 CB HIS A 83 -7.169 7.009 10.863 1.00 0.00 C ATOM 996 CG HIS A 83 -7.164 8.481 11.147 1.00 0.00 C ATOM 997 ND1 HIS A 83 -6.810 9.431 10.211 1.00 0.00 N ATOM 998 CD2 HIS A 83 -7.468 9.163 12.275 1.00 0.00 C ATOM 999 CE1 HIS A 83 -6.897 10.631 10.754 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -7.295 10.498 12.004 1.00 0.00 N ATOM 0 H HIS A 83 -7.893 4.395 10.678 1.00 0.00 H new ATOM 0 HA HIS A 83 -9.015 6.829 11.942 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.422 6.524 11.492 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.868 6.847 9.828 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.787 8.737 13.214 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -6.679 11.565 10.258 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -7.449 11.262 12.662 1.00 0.00 H new ATOM 1009 N GLU A 84 -10.553 7.129 10.031 1.00 0.00 N ATOM 1010 CA GLU A 84 -11.487 7.390 8.931 1.00 0.00 C ATOM 1011 C GLU A 84 -11.991 6.096 8.288 1.00 0.00 C ATOM 1012 O GLU A 84 -12.463 6.097 7.148 1.00 0.00 O ATOM 1013 CB GLU A 84 -10.832 8.285 7.873 1.00 0.00 C ATOM 1014 CG GLU A 84 -10.101 9.482 8.457 1.00 0.00 C ATOM 1015 CD GLU A 84 -10.562 10.795 7.864 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -11.718 10.871 7.400 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -9.771 11.761 7.864 1.00 0.00 O ATOM 0 H GLU A 84 -10.870 7.483 10.934 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.349 7.906 9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.129 7.690 7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.598 8.639 7.184 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.251 9.503 9.536 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.031 9.367 8.287 1.00 0.00 H new ATOM 1024 N GLY A 85 -11.887 4.996 9.022 1.00 0.00 N ATOM 1025 CA GLY A 85 -12.339 3.715 8.520 1.00 0.00 C ATOM 1026 C GLY A 85 -11.350 3.068 7.569 1.00 0.00 C ATOM 1027 O GLY A 85 -11.524 1.912 7.181 1.00 0.00 O ATOM 0 H GLY A 85 -11.494 4.970 9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.518 3.044 9.360 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.293 3.847 8.009 1.00 0.00 H new ATOM 1031 N VAL A 86 -10.324 3.807 7.173 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.314 3.283 6.264 1.00 0.00 C ATOM 1033 C VAL A 86 -7.971 3.214 6.965 1.00 0.00 C ATOM 1034 O VAL A 86 -7.176 4.150 6.891 1.00 0.00 O ATOM 1035 CB VAL A 86 -9.172 4.138 4.984 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -9.883 3.475 3.818 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -9.695 5.552 5.202 1.00 0.00 C ATOM 0 H VAL A 86 -10.169 4.771 7.467 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.640 2.286 5.967 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.111 4.210 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.772 4.092 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.447 2.493 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.942 3.364 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.581 6.128 4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.749 5.512 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.130 6.030 6.002 1.00 0.00 H new ATOM 1047 N THR A 87 -7.710 2.108 7.638 1.00 0.00 N ATOM 1048 CA THR A 87 -6.498 1.981 8.426 1.00 0.00 C ATOM 1049 C THR A 87 -6.207 0.525 8.767 1.00 0.00 C ATOM 1050 O THR A 87 -7.041 -0.158 9.363 1.00 0.00 O ATOM 1051 CB THR A 87 -6.607 2.803 9.731 1.00 0.00 C ATOM 1052 OG1 THR A 87 -6.503 4.200 9.443 1.00 0.00 O ATOM 1053 CG2 THR A 87 -5.530 2.416 10.738 1.00 0.00 C ATOM 0 H THR A 87 -8.318 1.289 7.655 1.00 0.00 H new ATOM 0 HA THR A 87 -5.677 2.368 7.823 1.00 0.00 H new ATOM 0 HB THR A 87 -7.580 2.584 10.171 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.376 4.327 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.643 3.017 11.640 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.630 1.360 10.990 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.546 2.593 10.304 1.00 0.00 H new ATOM 1061 N GLN A 88 -5.033 0.070 8.345 1.00 0.00 N ATOM 1062 CA GLN A 88 -4.483 -1.222 8.733 1.00 0.00 C ATOM 1063 C GLN A 88 -3.094 -1.374 8.132 1.00 0.00 C ATOM 1064 O GLN A 88 -2.939 -1.452 6.911 1.00 0.00 O ATOM 1065 CB GLN A 88 -5.375 -2.375 8.292 1.00 0.00 C ATOM 1066 CG GLN A 88 -5.646 -3.382 9.403 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.928 -2.724 10.746 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -4.884 -2.480 11.523 1.00 0.00 O flip ATOM 1069 NE2 GLN A 88 -7.075 -2.452 11.090 1.00 0.00 N flip ATOM 0 H GLN A 88 -4.428 0.596 7.715 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.426 -1.256 9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -6.324 -1.976 7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.907 -2.888 7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -6.497 -4.003 9.123 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.786 -4.045 9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.856 -2.654 10.466 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.247 -2.024 12.000 1.00 0.00 H new ATOM 1078 N GLN A 89 -2.089 -1.382 8.991 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.702 -1.378 8.549 1.00 0.00 C ATOM 1080 C GLN A 89 -0.248 -2.759 8.095 1.00 0.00 C ATOM 1081 O GLN A 89 -0.907 -3.768 8.357 1.00 0.00 O ATOM 1082 CB GLN A 89 0.214 -0.879 9.666 1.00 0.00 C ATOM 1083 CG GLN A 89 -0.084 -1.489 11.024 1.00 0.00 C ATOM 1084 CD GLN A 89 -1.053 -0.653 11.829 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -2.264 -0.871 11.779 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -0.532 0.314 12.562 1.00 0.00 N ATOM 0 H GLN A 89 -2.207 -1.391 10.004 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.638 -0.703 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.248 -1.097 9.399 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.126 0.205 9.738 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -0.496 -2.489 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.846 -1.601 11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 89 0.478 0.458 12.573 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.139 0.917 13.117 1.00 0.00 H new ATOM 1095 N THR A 90 0.885 -2.791 7.416 1.00 0.00 N ATOM 1096 CA THR A 90 1.467 -4.032 6.952 1.00 0.00 C ATOM 1097 C THR A 90 2.889 -4.167 7.490 1.00 0.00 C ATOM 1098 O THR A 90 3.707 -3.255 7.345 1.00 0.00 O ATOM 1099 CB THR A 90 1.461 -4.106 5.405 1.00 0.00 C ATOM 1100 OG1 THR A 90 2.243 -5.215 4.943 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.993 -2.818 4.790 1.00 0.00 C ATOM 0 H THR A 90 1.424 -1.960 7.173 1.00 0.00 H new ATOM 0 HA THR A 90 0.864 -4.860 7.326 1.00 0.00 H new ATOM 0 HB THR A 90 0.426 -4.244 5.091 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.224 -5.243 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.977 -2.900 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.367 -1.981 5.100 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.016 -2.650 5.126 1.00 0.00 H new ATOM 1109 N LEU A 91 3.172 -5.289 8.127 1.00 0.00 N ATOM 1110 CA LEU A 91 4.484 -5.520 8.702 1.00 0.00 C ATOM 1111 C LEU A 91 5.421 -6.065 7.639 1.00 0.00 C ATOM 1112 O LEU A 91 5.262 -7.193 7.176 1.00 0.00 O ATOM 1113 CB LEU A 91 4.396 -6.494 9.884 1.00 0.00 C ATOM 1114 CG LEU A 91 5.375 -6.226 11.036 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.787 -6.651 10.660 1.00 0.00 C ATOM 1116 CD2 LEU A 91 5.346 -4.758 11.432 1.00 0.00 C ATOM 0 H LEU A 91 2.511 -6.054 8.259 1.00 0.00 H new ATOM 0 HA LEU A 91 4.875 -4.572 9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.381 -6.467 10.280 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.567 -7.505 9.513 1.00 0.00 H new ATOM 0 HG LEU A 91 5.060 -6.821 11.893 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.461 -6.451 11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.798 -7.717 10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.115 -6.090 9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.046 -4.588 12.250 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.631 -4.145 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.340 -4.488 11.753 1.00 0.00 H new ATOM 1128 N THR A 92 6.392 -5.256 7.250 1.00 0.00 N ATOM 1129 CA THR A 92 7.319 -5.640 6.204 1.00 0.00 C ATOM 1130 C THR A 92 8.711 -5.910 6.767 1.00 0.00 C ATOM 1131 O THR A 92 9.403 -5.002 7.227 1.00 0.00 O ATOM 1132 CB THR A 92 7.395 -4.554 5.115 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.095 -3.981 4.916 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.905 -5.130 3.803 1.00 0.00 C ATOM 0 H THR A 92 6.557 -4.330 7.644 1.00 0.00 H new ATOM 0 HA THR A 92 6.945 -6.562 5.758 1.00 0.00 H new ATOM 0 HB THR A 92 8.092 -3.784 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.145 -3.289 4.224 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.949 -4.341 3.052 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.902 -5.546 3.951 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.231 -5.917 3.464 1.00 0.00 H new ATOM 1142 N LEU A 93 9.109 -7.167 6.742 1.00 0.00 N ATOM 1143 CA LEU A 93 10.434 -7.559 7.191 1.00 0.00 C ATOM 1144 C LEU A 93 11.395 -7.553 6.011 1.00 0.00 C ATOM 1145 O LEU A 93 11.015 -7.919 4.900 1.00 0.00 O ATOM 1146 CB LEU A 93 10.385 -8.944 7.830 1.00 0.00 C ATOM 1147 CG LEU A 93 9.672 -9.001 9.185 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.546 -10.021 9.160 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.664 -9.323 10.293 1.00 0.00 C ATOM 0 H LEU A 93 8.530 -7.940 6.413 1.00 0.00 H new ATOM 0 HA LEU A 93 10.785 -6.847 7.938 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.886 -9.628 7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.405 -9.307 7.956 1.00 0.00 H new ATOM 0 HG LEU A 93 9.236 -8.022 9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.054 -10.044 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.822 -9.745 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.953 -11.007 8.936 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.142 -9.360 11.249 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.129 -10.289 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.433 -8.551 10.329 1.00 0.00 H new ATOM 1161 N THR A 94 12.626 -7.125 6.244 1.00 0.00 N ATOM 1162 CA THR A 94 13.615 -7.038 5.187 1.00 0.00 C ATOM 1163 C THR A 94 14.938 -7.600 5.665 1.00 0.00 C ATOM 1164 O THR A 94 15.527 -7.090 6.617 1.00 0.00 O ATOM 1165 CB THR A 94 13.817 -5.584 4.724 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.635 -4.818 4.997 1.00 0.00 O ATOM 1167 CG2 THR A 94 14.137 -5.526 3.238 1.00 0.00 C ATOM 0 H THR A 94 12.963 -6.832 7.161 1.00 0.00 H new ATOM 0 HA THR A 94 13.249 -7.621 4.342 1.00 0.00 H new ATOM 0 HB THR A 94 14.659 -5.163 5.273 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.351 -4.353 4.182 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.275 -4.488 2.936 1.00 0.00 H new ATOM 0 HG22 THR A 94 15.051 -6.086 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.314 -5.962 2.671 1.00 0.00 H new ATOM 1175 N PHE A 95 15.400 -8.656 5.023 1.00 0.00 N ATOM 1176 CA PHE A 95 16.638 -9.283 5.428 1.00 0.00 C ATOM 1177 C PHE A 95 17.536 -9.530 4.233 1.00 0.00 C ATOM 1178 O PHE A 95 17.077 -9.572 3.090 1.00 0.00 O ATOM 1179 CB PHE A 95 16.381 -10.595 6.186 1.00 0.00 C ATOM 1180 CG PHE A 95 15.171 -11.375 5.746 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.909 -11.059 6.225 1.00 0.00 C ATOM 1182 CD2 PHE A 95 15.304 -12.438 4.871 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.802 -11.787 5.834 1.00 0.00 C ATOM 1184 CE2 PHE A 95 14.201 -13.171 4.479 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.950 -12.844 4.960 1.00 0.00 C ATOM 0 H PHE A 95 14.939 -9.093 4.225 1.00 0.00 H new ATOM 0 HA PHE A 95 17.145 -8.597 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.259 -11.232 6.081 1.00 0.00 H new ATOM 0 HB3 PHE A 95 16.278 -10.366 7.247 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.790 -10.234 6.912 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.281 -12.698 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.823 -11.529 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.318 -14.000 3.796 1.00 0.00 H new ATOM 0 HZ PHE A 95 12.087 -13.415 4.652 1.00 0.00 H new ATOM 1195 N ASN A 96 18.819 -9.657 4.501 1.00 0.00 N ATOM 1196 CA ASN A 96 19.785 -9.984 3.470 1.00 0.00 C ATOM 1197 C ASN A 96 19.785 -11.492 3.244 1.00 0.00 C ATOM 1198 O ASN A 96 19.323 -12.242 4.108 1.00 0.00 O ATOM 1199 CB ASN A 96 21.180 -9.495 3.876 1.00 0.00 C ATOM 1200 CG ASN A 96 22.175 -9.514 2.730 1.00 0.00 C ATOM 1201 OD1 ASN A 96 21.811 -9.693 1.570 1.00 0.00 O ATOM 1202 ND2 ASN A 96 23.441 -9.323 3.050 1.00 0.00 N ATOM 0 H ASN A 96 19.220 -9.538 5.431 1.00 0.00 H new ATOM 0 HA ASN A 96 19.511 -9.485 2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 96 21.103 -8.480 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.556 -10.120 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 96 24.156 -9.321 2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.704 -9.178 4.025 1.00 0.00 H new ATOM 1209 N SER A 97 20.317 -11.925 2.104 1.00 0.00 N ATOM 1210 CA SER A 97 20.305 -13.331 1.701 1.00 0.00 C ATOM 1211 C SER A 97 20.973 -14.243 2.735 1.00 0.00 C ATOM 1212 O SER A 97 20.726 -15.448 2.761 1.00 0.00 O ATOM 1213 CB SER A 97 21.002 -13.468 0.351 1.00 0.00 C ATOM 1214 OG SER A 97 21.025 -12.217 -0.325 1.00 0.00 O ATOM 0 H SER A 97 20.771 -11.309 1.430 1.00 0.00 H new ATOM 0 HA SER A 97 19.265 -13.650 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 97 22.020 -13.829 0.495 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.485 -14.209 -0.259 1.00 0.00 H new ATOM 0 HG SER A 97 21.861 -11.749 -0.119 1.00 0.00 H new ATOM 1220 N SER A 98 21.801 -13.666 3.596 1.00 0.00 N ATOM 1221 CA SER A 98 22.438 -14.414 4.669 1.00 0.00 C ATOM 1222 C SER A 98 21.419 -14.750 5.760 1.00 0.00 C ATOM 1223 O SER A 98 21.689 -15.528 6.674 1.00 0.00 O ATOM 1224 CB SER A 98 23.577 -13.578 5.244 1.00 0.00 C ATOM 1225 OG SER A 98 23.444 -12.218 4.850 1.00 0.00 O ATOM 0 H SER A 98 22.047 -12.677 3.571 1.00 0.00 H new ATOM 0 HA SER A 98 22.835 -15.351 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.575 -13.650 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.534 -13.971 4.900 1.00 0.00 H new ATOM 0 HG SER A 98 24.181 -11.694 5.228 1.00 0.00 H new ATOM 1231 N GLY A 99 20.235 -14.166 5.642 1.00 0.00 N ATOM 1232 CA GLY A 99 19.196 -14.365 6.626 1.00 0.00 C ATOM 1233 C GLY A 99 19.180 -13.257 7.650 1.00 0.00 C ATOM 1234 O GLY A 99 18.457 -13.320 8.630 1.00 0.00 O ATOM 0 H GLY A 99 19.976 -13.551 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.228 -14.415 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.347 -15.321 7.127 1.00 0.00 H new ATOM 1238 N VAL A 100 19.960 -12.222 7.400 1.00 0.00 N ATOM 1239 CA VAL A 100 20.160 -11.159 8.373 1.00 0.00 C ATOM 1240 C VAL A 100 19.112 -10.059 8.211 1.00 0.00 C ATOM 1241 O VAL A 100 19.118 -9.335 7.217 1.00 0.00 O ATOM 1242 CB VAL A 100 21.576 -10.553 8.237 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.724 -9.298 9.083 1.00 0.00 C ATOM 1244 CG2 VAL A 100 22.627 -11.582 8.621 1.00 0.00 C ATOM 0 H VAL A 100 20.469 -12.093 6.526 1.00 0.00 H new ATOM 0 HA VAL A 100 20.054 -11.597 9.365 1.00 0.00 H new ATOM 0 HB VAL A 100 21.724 -10.270 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.730 -8.896 8.965 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.996 -8.554 8.760 1.00 0.00 H new ATOM 0 HG13 VAL A 100 21.551 -9.543 10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 100 23.620 -11.143 8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 100 22.471 -11.894 9.654 1.00 0.00 H new ATOM 0 HG23 VAL A 100 22.545 -12.448 7.964 1.00 0.00 H new ATOM 1254 N LEU A 101 18.206 -9.968 9.184 1.00 0.00 N ATOM 1255 CA LEU A 101 17.214 -8.890 9.238 1.00 0.00 C ATOM 1256 C LEU A 101 17.910 -7.536 9.202 1.00 0.00 C ATOM 1257 O LEU A 101 18.544 -7.130 10.176 1.00 0.00 O ATOM 1258 CB LEU A 101 16.390 -9.007 10.525 1.00 0.00 C ATOM 1259 CG LEU A 101 14.921 -9.391 10.337 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.212 -8.388 9.440 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.804 -10.799 9.771 1.00 0.00 C ATOM 0 H LEU A 101 18.137 -10.634 9.953 1.00 0.00 H new ATOM 0 HA LEU A 101 16.554 -8.976 8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.861 -9.748 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.433 -8.053 11.051 1.00 0.00 H new ATOM 0 HG LEU A 101 14.436 -9.374 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.169 -8.681 9.320 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.261 -7.397 9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.697 -8.366 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.752 -11.054 9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.308 -10.846 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.269 -11.507 10.457 1.00 0.00 H new ATOM 1273 N THR A 102 17.804 -6.848 8.080 1.00 0.00 N ATOM 1274 CA THR A 102 18.486 -5.581 7.902 1.00 0.00 C ATOM 1275 C THR A 102 17.540 -4.409 8.140 1.00 0.00 C ATOM 1276 O THR A 102 17.972 -3.314 8.511 1.00 0.00 O ATOM 1277 CB THR A 102 19.082 -5.482 6.488 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.410 -6.396 5.609 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.570 -5.798 6.513 1.00 0.00 C ATOM 0 H THR A 102 17.251 -7.147 7.277 1.00 0.00 H new ATOM 0 HA THR A 102 19.291 -5.534 8.635 1.00 0.00 H new ATOM 0 HB THR A 102 18.945 -4.463 6.125 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.793 -6.327 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.975 -5.723 5.504 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.082 -5.088 7.163 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.721 -6.809 6.890 1.00 0.00 H new ATOM 1287 N ASN A 103 16.250 -4.645 7.935 1.00 0.00 N ATOM 1288 CA ASN A 103 15.245 -3.600 8.079 1.00 0.00 C ATOM 1289 C ASN A 103 13.906 -4.186 8.513 1.00 0.00 C ATOM 1290 O ASN A 103 13.543 -5.291 8.113 1.00 0.00 O ATOM 1291 CB ASN A 103 15.076 -2.844 6.753 1.00 0.00 C ATOM 1292 CG ASN A 103 13.899 -1.883 6.768 1.00 0.00 C ATOM 1293 OD1 ASN A 103 13.930 -0.853 7.445 1.00 0.00 O ATOM 1294 ND2 ASN A 103 12.850 -2.212 6.025 1.00 0.00 N ATOM 0 H ASN A 103 15.874 -5.555 7.667 1.00 0.00 H new ATOM 0 HA ASN A 103 15.584 -2.907 8.849 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.989 -2.289 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 103 14.942 -3.563 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.032 -1.604 6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.862 -3.073 5.478 1.00 0.00 H new ATOM 1301 N ILE A 104 13.192 -3.451 9.346 1.00 0.00 N ATOM 1302 CA ILE A 104 11.832 -3.807 9.710 1.00 0.00 C ATOM 1303 C ILE A 104 10.924 -2.610 9.480 1.00 0.00 C ATOM 1304 O ILE A 104 11.260 -1.488 9.856 1.00 0.00 O ATOM 1305 CB ILE A 104 11.707 -4.248 11.183 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.381 -5.607 11.407 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.237 -4.307 11.577 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.303 -5.629 12.608 1.00 0.00 C ATOM 0 H ILE A 104 13.535 -2.597 9.786 1.00 0.00 H new ATOM 0 HA ILE A 104 11.540 -4.651 9.085 1.00 0.00 H new ATOM 0 HB ILE A 104 12.215 -3.517 11.812 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.612 -6.369 11.534 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.950 -5.874 10.516 1.00 0.00 H new ATOM 0 HG21 ILE A 104 10.152 -4.619 12.618 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.788 -3.321 11.455 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.718 -5.023 10.940 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.746 -6.620 12.708 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.093 -4.890 12.474 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.734 -5.393 13.508 1.00 0.00 H new ATOM 1320 N ASP A 105 9.791 -2.849 8.854 1.00 0.00 N ATOM 1321 CA ASP A 105 8.812 -1.805 8.622 1.00 0.00 C ATOM 1322 C ASP A 105 7.656 -1.941 9.598 1.00 0.00 C ATOM 1323 O ASP A 105 6.785 -2.792 9.420 1.00 0.00 O ATOM 1324 CB ASP A 105 8.297 -1.908 7.197 1.00 0.00 C ATOM 1325 CG ASP A 105 7.835 -0.579 6.635 1.00 0.00 C ATOM 1326 OD1 ASP A 105 8.613 0.397 6.679 1.00 0.00 O ATOM 1327 OD2 ASP A 105 6.693 -0.503 6.137 1.00 0.00 O ATOM 0 H ASP A 105 9.523 -3.765 8.494 1.00 0.00 H new ATOM 0 HA ASP A 105 9.283 -0.833 8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.085 -2.311 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.469 -2.616 7.166 1.00 0.00 H new ATOM 1332 N ASN A 106 7.657 -1.111 10.628 1.00 0.00 N ATOM 1333 CA ASN A 106 6.583 -1.114 11.613 1.00 0.00 C ATOM 1334 C ASN A 106 6.106 0.308 11.873 1.00 0.00 C ATOM 1335 O ASN A 106 6.756 1.081 12.580 1.00 0.00 O ATOM 1336 CB ASN A 106 7.047 -1.766 12.918 1.00 0.00 C ATOM 1337 CG ASN A 106 5.945 -1.826 13.962 1.00 0.00 C ATOM 1338 OD1 ASN A 106 4.763 -1.913 13.634 1.00 0.00 O ATOM 1339 ND2 ASN A 106 6.329 -1.788 15.229 1.00 0.00 N ATOM 0 H ASN A 106 8.390 -0.425 10.806 1.00 0.00 H new ATOM 0 HA ASN A 106 5.752 -1.697 11.216 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.401 -2.776 12.710 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.893 -1.207 13.319 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.634 -1.831 15.974 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.320 -1.715 15.460 1.00 0.00 H new ATOM 1346 N LYS A 107 4.974 0.649 11.276 1.00 0.00 N ATOM 1347 CA LYS A 107 4.405 1.986 11.384 1.00 0.00 C ATOM 1348 C LYS A 107 2.886 1.892 11.408 1.00 0.00 C ATOM 1349 O LYS A 107 2.325 0.841 11.103 1.00 0.00 O ATOM 1350 CB LYS A 107 4.834 2.857 10.193 1.00 0.00 C ATOM 1351 CG LYS A 107 6.316 3.183 10.155 1.00 0.00 C ATOM 1352 CD LYS A 107 6.993 2.504 8.981 1.00 0.00 C ATOM 1353 CE LYS A 107 8.429 2.147 9.303 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.339 2.422 8.159 1.00 0.00 N ATOM 0 H LYS A 107 4.424 0.009 10.704 1.00 0.00 H new ATOM 0 HA LYS A 107 4.768 2.442 12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.563 2.346 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.270 3.789 10.219 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.453 4.262 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.786 2.863 11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.443 1.602 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.966 3.162 8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.758 2.715 10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.490 1.092 9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.324 2.261 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.105 1.788 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.226 3.410 7.855 1.00 0.00 H new ATOM 1368 N PRO A 108 2.199 2.976 11.796 1.00 0.00 N ATOM 1369 CA PRO A 108 0.748 3.073 11.649 1.00 0.00 C ATOM 1370 C PRO A 108 0.354 3.095 10.177 1.00 0.00 C ATOM 1371 O PRO A 108 1.174 3.426 9.314 1.00 0.00 O ATOM 1372 CB PRO A 108 0.393 4.409 12.317 1.00 0.00 C ATOM 1373 CG PRO A 108 1.583 4.767 13.137 1.00 0.00 C ATOM 1374 CD PRO A 108 2.764 4.178 12.425 1.00 0.00 C ATOM 0 HA PRO A 108 0.227 2.226 12.095 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.183 5.177 11.573 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.498 4.314 12.938 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.682 5.848 13.230 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.496 4.367 14.147 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.175 4.866 11.686 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.571 3.932 13.115 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.890 2.737 9.887 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.394 2.739 8.516 1.00 0.00 C ATOM 1384 C ALA A 109 -1.631 4.162 8.009 1.00 0.00 C ATOM 1385 O ALA A 109 -2.750 4.527 7.649 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.677 1.931 8.431 1.00 0.00 C ATOM 0 H ALA A 109 -1.572 2.440 10.584 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.638 2.280 7.879 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.045 1.939 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.481 0.904 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.428 2.370 9.089 1.00 0.00 H new ATOM 1392 N LEU A 110 -0.569 4.958 7.993 1.00 0.00 N ATOM 1393 CA LEU A 110 -0.643 6.339 7.548 1.00 0.00 C ATOM 1394 C LEU A 110 0.751 6.880 7.251 1.00 0.00 C ATOM 1395 O LEU A 110 1.369 7.531 8.097 1.00 0.00 O ATOM 1396 CB LEU A 110 -1.322 7.207 8.602 1.00 0.00 C ATOM 1397 CG LEU A 110 -2.372 8.163 8.044 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -3.695 7.980 8.761 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -1.893 9.598 8.151 1.00 0.00 C ATOM 0 H LEU A 110 0.362 4.664 8.287 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.235 6.369 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.793 6.559 9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.561 7.786 9.125 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.524 7.932 6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.431 8.671 8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.043 6.956 8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -3.564 8.182 9.824 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.654 10.267 7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.711 9.844 9.197 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.969 9.717 7.584 1.00 0.00 H new ATOM 1411 N SER A 111 1.255 6.596 6.059 1.00 0.00 N ATOM 1412 CA SER A 111 2.555 7.107 5.640 1.00 0.00 C ATOM 1413 C SER A 111 2.433 8.544 5.129 1.00 0.00 C ATOM 1414 O SER A 111 2.671 8.825 3.952 1.00 0.00 O ATOM 1415 CB SER A 111 3.155 6.202 4.563 1.00 0.00 C ATOM 1416 OG SER A 111 2.817 4.844 4.799 1.00 0.00 O ATOM 0 H SER A 111 0.785 6.015 5.364 1.00 0.00 H new ATOM 0 HA SER A 111 3.220 7.110 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.791 6.507 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.239 6.314 4.550 1.00 0.00 H new ATOM 0 HG SER A 111 2.017 4.612 4.283 1.00 0.00 H new ATOM 1422 N GLY A 112 2.039 9.444 6.020 1.00 0.00 N ATOM 1423 CA GLY A 112 1.927 10.846 5.673 1.00 0.00 C ATOM 1424 C GLY A 112 0.648 11.161 4.924 1.00 0.00 C ATOM 1425 O GLY A 112 -0.332 10.420 5.005 1.00 0.00 O ATOM 0 H GLY A 112 1.793 9.225 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.968 11.446 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.782 11.135 5.062 1.00 0.00 H new ATOM 1429 N ASN A 113 0.668 12.257 4.177 1.00 0.00 N ATOM 1430 CA ASN A 113 -0.499 12.712 3.425 1.00 0.00 C ATOM 1431 C ASN A 113 -0.725 11.843 2.194 1.00 0.00 C ATOM 1432 O ASN A 113 -1.768 11.924 1.547 1.00 0.00 O ATOM 1433 CB ASN A 113 -0.315 14.172 3.005 1.00 0.00 C ATOM 1434 CG ASN A 113 -1.631 14.863 2.697 1.00 0.00 C ATOM 1435 OD1 ASN A 113 -2.509 14.965 3.553 1.00 0.00 O ATOM 1436 ND2 ASN A 113 -1.776 15.347 1.476 1.00 0.00 N ATOM 0 H ASN A 113 1.488 12.855 4.074 1.00 0.00 H new ATOM 0 HA ASN A 113 -1.374 12.630 4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.197 14.713 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.328 14.215 2.126 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.639 15.825 1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.025 15.243 0.794 1.00 0.00 H new ATOM 1443 N LEU A 114 0.259 11.008 1.886 1.00 0.00 N ATOM 1444 CA LEU A 114 0.184 10.112 0.740 1.00 0.00 C ATOM 1445 C LEU A 114 -0.701 8.906 1.052 1.00 0.00 C ATOM 1446 O LEU A 114 -1.051 8.127 0.163 1.00 0.00 O ATOM 1447 CB LEU A 114 1.594 9.651 0.348 1.00 0.00 C ATOM 1448 CG LEU A 114 1.664 8.601 -0.763 1.00 0.00 C ATOM 1449 CD1 LEU A 114 1.487 9.251 -2.126 1.00 0.00 C ATOM 1450 CD2 LEU A 114 2.983 7.845 -0.697 1.00 0.00 C ATOM 0 H LEU A 114 1.125 10.933 2.419 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.261 10.652 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.168 10.523 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.084 9.249 1.234 1.00 0.00 H new ATOM 0 HG LEU A 114 0.851 7.890 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.540 8.488 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.517 9.747 -2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 114 2.277 9.985 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.017 7.102 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.810 8.545 -0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.068 7.346 0.268 1.00 0.00 H new ATOM 1462 N GLU A 115 -1.067 8.755 2.319 1.00 0.00 N ATOM 1463 CA GLU A 115 -1.890 7.632 2.729 1.00 0.00 C ATOM 1464 C GLU A 115 -3.375 7.977 2.615 1.00 0.00 C ATOM 1465 O GLU A 115 -3.823 8.438 1.564 1.00 0.00 O ATOM 1466 CB GLU A 115 -1.544 7.200 4.153 1.00 0.00 C ATOM 1467 CG GLU A 115 -1.780 5.719 4.406 1.00 0.00 C ATOM 1468 CD GLU A 115 -0.839 4.842 3.613 1.00 0.00 C ATOM 1469 OE1 GLU A 115 0.311 4.649 4.058 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -1.241 4.337 2.543 1.00 0.00 O ATOM 0 H GLU A 115 -0.808 9.392 3.072 1.00 0.00 H new ATOM 0 HA GLU A 115 -1.683 6.797 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -0.498 7.433 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -2.140 7.781 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -1.657 5.511 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -2.809 5.469 4.149 1.00 0.00 H new ATOM 1477 N HIS A 116 -4.122 7.772 3.709 1.00 0.00 N ATOM 1478 CA HIS A 116 -5.580 7.925 3.721 1.00 0.00 C ATOM 1479 C HIS A 116 -6.212 6.880 2.805 1.00 0.00 C ATOM 1480 O HIS A 116 -6.649 5.823 3.259 1.00 0.00 O ATOM 1481 CB HIS A 116 -5.990 9.345 3.300 1.00 0.00 C ATOM 1482 CG HIS A 116 -7.420 9.687 3.595 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -8.087 10.713 2.962 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -8.310 9.144 4.460 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -9.319 10.786 3.422 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -9.483 9.845 4.332 1.00 0.00 N ATOM 0 H HIS A 116 -3.731 7.496 4.609 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.941 7.769 4.737 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.345 10.062 3.807 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -5.814 9.459 2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.130 8.314 5.127 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -10.069 11.497 3.107 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -10.341 9.668 4.855 1.00 0.00 H new ATOM 1495 N HIS A 117 -6.239 7.178 1.518 1.00 0.00 N ATOM 1496 CA HIS A 117 -6.665 6.231 0.506 1.00 0.00 C ATOM 1497 C HIS A 117 -6.218 6.729 -0.855 1.00 0.00 C ATOM 1498 O HIS A 117 -6.710 7.749 -1.330 1.00 0.00 O ATOM 1499 CB HIS A 117 -8.182 6.034 0.519 1.00 0.00 C ATOM 1500 CG HIS A 117 -8.593 4.661 0.090 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -9.303 4.412 -1.063 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -8.379 3.455 0.664 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -9.511 3.116 -1.178 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -8.958 2.513 -0.144 1.00 0.00 N ATOM 0 H HIS A 117 -5.965 8.087 1.145 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.208 5.265 0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -8.560 6.224 1.524 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -8.645 6.769 -0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -7.850 3.270 1.587 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -10.044 2.630 -1.982 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -8.961 1.507 0.027 1.00 0.00 H new ATOM 1513 N HIS A 118 -5.262 6.019 -1.449 1.00 0.00 N ATOM 1514 CA HIS A 118 -4.687 6.395 -2.740 1.00 0.00 C ATOM 1515 C HIS A 118 -5.777 6.763 -3.742 1.00 0.00 C ATOM 1516 O HIS A 118 -6.540 5.902 -4.186 1.00 0.00 O ATOM 1517 CB HIS A 118 -3.837 5.246 -3.287 1.00 0.00 C ATOM 1518 CG HIS A 118 -2.410 5.620 -3.541 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -1.414 5.507 -2.591 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -1.811 6.113 -4.651 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -0.269 5.917 -3.107 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -0.483 6.285 -4.354 1.00 0.00 N ATOM 0 H HIS A 118 -4.864 5.168 -1.051 1.00 0.00 H new ATOM 0 HA HIS A 118 -4.056 7.271 -2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -3.866 4.417 -2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -4.280 4.888 -4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -2.290 6.330 -5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 118 0.681 5.946 -2.594 1.00 0.00 H new ATOM 0 HE2 HIS A 118 0.225 6.641 -4.996 1.00 0.00 H new ATOM 1531 N HIS A 119 -5.861 8.048 -4.070 1.00 0.00 N ATOM 1532 CA HIS A 119 -6.898 8.540 -4.963 1.00 0.00 C ATOM 1533 C HIS A 119 -6.581 9.945 -5.456 1.00 0.00 C ATOM 1534 O HIS A 119 -5.950 10.737 -4.754 1.00 0.00 O ATOM 1535 CB HIS A 119 -8.270 8.525 -4.260 1.00 0.00 C ATOM 1536 CG HIS A 119 -8.574 9.746 -3.430 1.00 0.00 C ATOM 1537 ND1 HIS A 119 -8.029 9.972 -2.183 1.00 0.00 N ATOM 1538 CD2 HIS A 119 -9.368 10.812 -3.688 1.00 0.00 C ATOM 1539 CE1 HIS A 119 -8.474 11.125 -1.712 1.00 0.00 C ATOM 1540 NE2 HIS A 119 -9.287 11.655 -2.608 1.00 0.00 N ATOM 0 H HIS A 119 -5.222 8.766 -3.729 1.00 0.00 H new ATOM 0 HA HIS A 119 -6.934 7.875 -5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -9.048 8.415 -5.016 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -8.323 7.646 -3.618 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -7.384 9.347 -1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -9.957 10.970 -4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -8.216 11.559 -0.757 1.00 0.00 H new ATOM 1549 N HIS A 120 -7.016 10.232 -6.668 1.00 0.00 N ATOM 1550 CA HIS A 120 -6.984 11.579 -7.201 1.00 0.00 C ATOM 1551 C HIS A 120 -8.278 11.851 -7.955 1.00 0.00 C ATOM 1552 O HIS A 120 -8.577 11.201 -8.960 1.00 0.00 O ATOM 1553 CB HIS A 120 -5.773 11.780 -8.113 1.00 0.00 C ATOM 1554 CG HIS A 120 -5.172 13.152 -8.017 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -3.990 13.415 -7.361 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -5.602 14.343 -8.496 1.00 0.00 C ATOM 1557 CE1 HIS A 120 -3.721 14.705 -7.438 1.00 0.00 C ATOM 1558 NE2 HIS A 120 -4.683 15.292 -8.122 1.00 0.00 N ATOM 0 H HIS A 120 -7.401 9.539 -7.309 1.00 0.00 H new ATOM 0 HA HIS A 120 -6.892 12.285 -6.376 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -5.013 11.041 -7.862 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -6.070 11.594 -9.145 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.502 14.515 -9.067 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -2.859 15.196 -7.013 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -4.736 16.287 -8.338 1.00 0.00 H new ATOM 1567 N HIS A 121 -9.051 12.796 -7.454 1.00 0.00 N ATOM 1568 CA HIS A 121 -10.356 13.102 -8.015 1.00 0.00 C ATOM 1569 C HIS A 121 -10.575 14.603 -8.028 1.00 0.00 C ATOM 1570 O HIS A 121 -11.457 15.072 -8.769 1.00 0.00 O ATOM 1571 CB HIS A 121 -11.460 12.423 -7.198 1.00 0.00 C ATOM 1572 CG HIS A 121 -12.431 11.630 -8.024 1.00 0.00 C ATOM 1573 ND1 HIS A 121 -13.799 11.711 -7.867 1.00 0.00 N ATOM 1574 CD2 HIS A 121 -12.223 10.727 -9.011 1.00 0.00 C ATOM 1575 CE1 HIS A 121 -14.388 10.892 -8.719 1.00 0.00 C ATOM 1576 NE2 HIS A 121 -13.456 10.282 -9.423 1.00 0.00 N ATOM 1577 OXT HIS A 121 -9.865 15.313 -7.286 1.00 0.00 O ATOM 0 H HIS A 121 -8.795 13.371 -6.651 1.00 0.00 H new ATOM 0 HA HIS A 121 -10.393 12.725 -9.037 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -11.000 11.763 -6.463 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -12.008 13.185 -6.643 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -11.266 10.415 -9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -15.453 10.747 -8.821 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -13.623 9.592 -10.155 1.00 0.00 H new TER 1586 HIS A 121