USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 3 SER OG : rot -160:sc= 0 USER MOD Set 1.2: A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00099) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.905 (180deg=0.298!) USER MOD Single : A 4 SER OG : rot 9:sc= 0.252 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00739 X(o=-0.0074,f=-0.0074) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0492 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0082 USER MOD Single : A 16 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.23) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -149:sc= 0 (180deg=-0.602) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 27 MET CE :methyl -149:sc= 0 (180deg=-0.845) USER MOD Single : A 30 HIS : no HE2:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 33 THR OG1 : rot 73:sc= 0.749 USER MOD Single : A 36 SER OG : rot 41:sc= 0.616 USER MOD Single : A 39 SER OG : rot -70:sc= -0.133! USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= 0.0431 (180deg=0.0195) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -127:sc= -3.79 (180deg=-5.75!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -9:sc= 0.105 USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 0.362 (180deg=0.319) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc=-0.00447 (180deg=-0.122) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0917 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0369 F(o=-2.6!,f=-0.037) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -0.633 K(o=-0.63,f=-1.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -54.497 -20.384 -39.164 1.00 0.00 N ATOM 2 CA MET A 1 -53.635 -21.347 -38.440 1.00 0.00 C ATOM 3 C MET A 1 -52.218 -20.774 -38.315 1.00 0.00 C ATOM 4 O MET A 1 -51.721 -20.143 -39.251 1.00 0.00 O ATOM 5 CB MET A 1 -53.603 -22.714 -39.180 1.00 0.00 C ATOM 6 CG MET A 1 -54.969 -23.404 -39.318 1.00 0.00 C ATOM 7 SD MET A 1 -56.138 -22.454 -40.318 1.00 0.00 S ATOM 8 CE MET A 1 -57.589 -23.515 -40.288 1.00 0.00 C ATOM 0 H1 MET A 1 -55.254 -20.899 -39.658 1.00 0.00 H new ATOM 0 H2 MET A 1 -54.917 -19.717 -38.486 1.00 0.00 H new ATOM 0 H3 MET A 1 -53.926 -19.860 -39.857 1.00 0.00 H new ATOM 0 HA MET A 1 -54.044 -21.510 -37.443 1.00 0.00 H new ATOM 0 HB2 MET A 1 -53.186 -22.563 -40.176 1.00 0.00 H new ATOM 0 HB3 MET A 1 -52.926 -23.383 -38.649 1.00 0.00 H new ATOM 0 HG2 MET A 1 -54.830 -24.388 -39.767 1.00 0.00 H new ATOM 0 HG3 MET A 1 -55.392 -23.563 -38.326 1.00 0.00 H new ATOM 0 HE1 MET A 1 -58.390 -23.053 -40.866 1.00 0.00 H new ATOM 0 HE2 MET A 1 -57.341 -24.484 -40.722 1.00 0.00 H new ATOM 0 HE3 MET A 1 -57.918 -23.653 -39.258 1.00 0.00 H new ATOM 20 N GLY A 2 -51.579 -21.012 -37.162 1.00 0.00 N ATOM 21 CA GLY A 2 -50.219 -20.546 -36.893 1.00 0.00 C ATOM 22 C GLY A 2 -49.672 -21.153 -35.607 1.00 0.00 C ATOM 23 O GLY A 2 -50.444 -21.455 -34.693 1.00 0.00 O ATOM 0 H GLY A 2 -51.994 -21.534 -36.390 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -49.570 -20.810 -37.728 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -50.213 -19.459 -36.816 1.00 0.00 H new ATOM 27 N SER A 3 -48.343 -21.312 -35.527 1.00 0.00 N ATOM 28 CA SER A 3 -47.666 -21.923 -34.367 1.00 0.00 C ATOM 29 C SER A 3 -46.392 -21.133 -34.001 1.00 0.00 C ATOM 30 O SER A 3 -45.861 -20.371 -34.820 1.00 0.00 O ATOM 31 CB SER A 3 -47.343 -23.404 -34.682 1.00 0.00 C ATOM 32 OG SER A 3 -46.637 -23.532 -35.901 1.00 0.00 O ATOM 0 H SER A 3 -47.703 -21.021 -36.266 1.00 0.00 H new ATOM 0 HA SER A 3 -48.328 -21.888 -33.502 1.00 0.00 H new ATOM 0 HB2 SER A 3 -46.751 -23.829 -33.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 -48.269 -23.976 -34.735 1.00 0.00 H new ATOM 0 HG SER A 3 -46.722 -24.450 -36.233 1.00 0.00 H new ATOM 38 N SER A 4 -45.920 -21.326 -32.755 1.00 0.00 N ATOM 39 CA SER A 4 -44.738 -20.646 -32.216 1.00 0.00 C ATOM 40 C SER A 4 -43.609 -21.668 -32.009 1.00 0.00 C ATOM 41 O SER A 4 -43.420 -22.207 -30.910 1.00 0.00 O ATOM 42 CB SER A 4 -45.098 -19.926 -30.889 1.00 0.00 C ATOM 43 OG SER A 4 -44.025 -19.136 -30.407 1.00 0.00 O ATOM 0 H SER A 4 -46.356 -21.966 -32.091 1.00 0.00 H new ATOM 0 HA SER A 4 -44.393 -19.891 -32.923 1.00 0.00 H new ATOM 0 HB2 SER A 4 -45.972 -19.294 -31.045 1.00 0.00 H new ATOM 0 HB3 SER A 4 -45.370 -20.666 -30.137 1.00 0.00 H new ATOM 0 HG SER A 4 -43.322 -19.088 -31.088 1.00 0.00 H new ATOM 49 N HIS A 5 -42.909 -21.988 -33.110 1.00 0.00 N ATOM 50 CA HIS A 5 -41.719 -22.857 -33.095 1.00 0.00 C ATOM 51 C HIS A 5 -40.473 -21.970 -33.135 1.00 0.00 C ATOM 52 O HIS A 5 -39.577 -22.114 -32.298 1.00 0.00 O ATOM 53 CB HIS A 5 -41.738 -23.846 -34.291 1.00 0.00 C ATOM 54 CG HIS A 5 -42.894 -24.805 -34.249 1.00 0.00 C ATOM 55 ND1 HIS A 5 -43.817 -24.935 -35.258 1.00 0.00 N ATOM 56 CD2 HIS A 5 -43.273 -25.688 -33.294 1.00 0.00 C ATOM 57 CE1 HIS A 5 -44.705 -25.844 -34.925 1.00 0.00 C ATOM 58 NE2 HIS A 5 -44.397 -26.317 -33.739 1.00 0.00 N ATOM 0 H HIS A 5 -43.154 -21.650 -34.041 1.00 0.00 H new ATOM 0 HA HIS A 5 -41.713 -23.457 -32.185 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -41.778 -23.280 -35.222 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -40.806 -24.411 -34.301 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -42.775 -25.862 -32.352 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -45.548 -26.151 -35.526 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -44.914 -27.037 -33.234 1.00 0.00 H new ATOM 67 N ASP A 6 -40.456 -21.053 -34.133 1.00 0.00 N ATOM 68 CA ASP A 6 -39.435 -19.998 -34.308 1.00 0.00 C ATOM 69 C ASP A 6 -38.050 -20.556 -34.686 1.00 0.00 C ATOM 70 O ASP A 6 -37.638 -21.635 -34.253 1.00 0.00 O ATOM 71 CB ASP A 6 -39.336 -19.070 -33.059 1.00 0.00 C ATOM 72 CG ASP A 6 -40.604 -18.222 -32.841 1.00 0.00 C ATOM 73 OD1 ASP A 6 -41.599 -18.745 -32.288 1.00 0.00 O ATOM 74 OD2 ASP A 6 -40.618 -17.038 -33.247 1.00 0.00 O ATOM 0 H ASP A 6 -41.174 -21.029 -34.857 1.00 0.00 H new ATOM 0 HA ASP A 6 -39.775 -19.397 -35.151 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -39.155 -19.679 -32.173 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -38.477 -18.408 -33.171 1.00 0.00 H new ATOM 79 N HIS A 7 -37.345 -19.797 -35.528 1.00 0.00 N ATOM 80 CA HIS A 7 -35.935 -20.051 -35.883 1.00 0.00 C ATOM 81 C HIS A 7 -35.040 -18.919 -35.337 1.00 0.00 C ATOM 82 O HIS A 7 -33.842 -18.862 -35.632 1.00 0.00 O ATOM 83 CB HIS A 7 -35.803 -20.188 -37.423 1.00 0.00 C ATOM 84 CG HIS A 7 -36.555 -21.364 -37.997 1.00 0.00 C ATOM 85 ND1 HIS A 7 -37.561 -21.239 -38.935 1.00 0.00 N ATOM 86 CD2 HIS A 7 -36.442 -22.694 -37.758 1.00 0.00 C ATOM 87 CE1 HIS A 7 -38.030 -22.432 -39.236 1.00 0.00 C ATOM 88 NE2 HIS A 7 -37.370 -23.329 -38.536 1.00 0.00 N ATOM 0 H HIS A 7 -37.736 -18.977 -35.992 1.00 0.00 H new ATOM 0 HA HIS A 7 -35.604 -20.985 -35.428 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -36.165 -19.273 -37.892 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -34.748 -20.282 -37.681 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -35.747 -23.165 -37.078 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -38.823 -22.639 -39.939 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -37.526 -24.337 -38.568 1.00 0.00 H new ATOM 97 N HIS A 8 -35.645 -18.042 -34.508 1.00 0.00 N ATOM 98 CA HIS A 8 -34.982 -16.870 -33.913 1.00 0.00 C ATOM 99 C HIS A 8 -34.014 -17.316 -32.795 1.00 0.00 C ATOM 100 O HIS A 8 -34.444 -17.601 -31.667 1.00 0.00 O ATOM 101 CB HIS A 8 -36.075 -15.901 -33.384 1.00 0.00 C ATOM 102 CG HIS A 8 -35.570 -14.610 -32.781 1.00 0.00 C ATOM 103 ND1 HIS A 8 -35.414 -13.445 -33.504 1.00 0.00 N ATOM 104 CD2 HIS A 8 -35.247 -14.291 -31.502 1.00 0.00 C ATOM 105 CE1 HIS A 8 -35.023 -12.478 -32.700 1.00 0.00 C ATOM 106 NE2 HIS A 8 -34.913 -12.961 -31.480 1.00 0.00 N ATOM 0 H HIS A 8 -36.623 -18.133 -34.231 1.00 0.00 H new ATOM 0 HA HIS A 8 -34.385 -16.348 -34.661 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -36.748 -15.658 -34.206 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -36.666 -16.425 -32.633 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -35.252 -14.962 -30.656 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -34.825 -11.457 -32.993 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -34.627 -12.433 -30.655 1.00 0.00 H new ATOM 115 N HIS A 9 -32.716 -17.420 -33.142 1.00 0.00 N ATOM 116 CA HIS A 9 -31.646 -17.770 -32.189 1.00 0.00 C ATOM 117 C HIS A 9 -30.281 -17.288 -32.715 1.00 0.00 C ATOM 118 O HIS A 9 -29.803 -17.760 -33.752 1.00 0.00 O ATOM 119 CB HIS A 9 -31.606 -19.306 -31.924 1.00 0.00 C ATOM 120 CG HIS A 9 -30.481 -19.749 -31.015 1.00 0.00 C ATOM 121 ND1 HIS A 9 -30.489 -19.531 -29.654 1.00 0.00 N ATOM 122 CD2 HIS A 9 -29.306 -20.376 -31.284 1.00 0.00 C ATOM 123 CE1 HIS A 9 -29.371 -20.000 -29.130 1.00 0.00 C ATOM 124 NE2 HIS A 9 -28.641 -20.519 -30.096 1.00 0.00 N ATOM 0 H HIS A 9 -32.380 -17.263 -34.092 1.00 0.00 H new ATOM 0 HA HIS A 9 -31.861 -17.268 -31.246 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -32.555 -19.612 -31.485 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -31.514 -19.826 -32.878 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -28.961 -20.701 -32.254 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -29.101 -19.964 -28.085 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -27.727 -20.957 -29.978 1.00 0.00 H new ATOM 133 N HIS A 10 -29.663 -16.363 -31.976 1.00 0.00 N ATOM 134 CA HIS A 10 -28.303 -15.871 -32.242 1.00 0.00 C ATOM 135 C HIS A 10 -27.301 -16.606 -31.327 1.00 0.00 C ATOM 136 O HIS A 10 -27.641 -16.972 -30.193 1.00 0.00 O ATOM 137 CB HIS A 10 -28.242 -14.334 -32.017 1.00 0.00 C ATOM 138 CG HIS A 10 -26.860 -13.734 -32.153 1.00 0.00 C ATOM 139 ND1 HIS A 10 -26.243 -13.536 -33.364 1.00 0.00 N ATOM 140 CD2 HIS A 10 -25.965 -13.335 -31.216 1.00 0.00 C ATOM 141 CE1 HIS A 10 -25.038 -13.042 -33.171 1.00 0.00 C ATOM 142 NE2 HIS A 10 -24.846 -12.911 -31.875 1.00 0.00 N ATOM 0 H HIS A 10 -30.098 -15.926 -31.163 1.00 0.00 H new ATOM 0 HA HIS A 10 -28.036 -16.072 -33.280 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -28.907 -13.848 -32.731 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -28.625 -14.110 -31.021 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -26.110 -13.350 -30.146 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -24.328 -12.788 -33.944 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -23.999 -12.551 -31.435 1.00 0.00 H new ATOM 151 N SER A 11 -26.071 -16.818 -31.823 1.00 0.00 N ATOM 152 CA SER A 11 -24.958 -17.370 -31.027 1.00 0.00 C ATOM 153 C SER A 11 -23.673 -16.560 -31.293 1.00 0.00 C ATOM 154 O SER A 11 -23.604 -15.767 -32.244 1.00 0.00 O ATOM 155 CB SER A 11 -24.745 -18.866 -31.357 1.00 0.00 C ATOM 156 OG SER A 11 -23.745 -19.459 -30.533 1.00 0.00 O ATOM 0 H SER A 11 -25.818 -16.612 -32.789 1.00 0.00 H new ATOM 0 HA SER A 11 -25.206 -17.292 -29.968 1.00 0.00 H new ATOM 0 HB2 SER A 11 -25.685 -19.403 -31.229 1.00 0.00 H new ATOM 0 HB3 SER A 11 -24.460 -18.969 -32.404 1.00 0.00 H new ATOM 0 HG SER A 11 -23.642 -20.404 -30.772 1.00 0.00 H new ATOM 162 N SER A 12 -22.670 -16.781 -30.438 1.00 0.00 N ATOM 163 CA SER A 12 -21.367 -16.111 -30.503 1.00 0.00 C ATOM 164 C SER A 12 -20.307 -17.032 -29.874 1.00 0.00 C ATOM 165 O SER A 12 -20.645 -18.085 -29.313 1.00 0.00 O ATOM 166 CB SER A 12 -21.433 -14.742 -29.774 1.00 0.00 C ATOM 167 OG SER A 12 -20.248 -13.982 -29.973 1.00 0.00 O ATOM 0 H SER A 12 -22.742 -17.444 -29.666 1.00 0.00 H new ATOM 0 HA SER A 12 -21.095 -15.916 -31.540 1.00 0.00 H new ATOM 0 HB2 SER A 12 -22.292 -14.178 -30.137 1.00 0.00 H new ATOM 0 HB3 SER A 12 -21.586 -14.905 -28.707 1.00 0.00 H new ATOM 0 HG SER A 12 -20.325 -13.126 -29.502 1.00 0.00 H new ATOM 173 N GLY A 13 -19.032 -16.639 -29.983 1.00 0.00 N ATOM 174 CA GLY A 13 -17.934 -17.420 -29.427 1.00 0.00 C ATOM 175 C GLY A 13 -16.589 -16.823 -29.776 1.00 0.00 C ATOM 176 O GLY A 13 -16.305 -16.575 -30.949 1.00 0.00 O ATOM 0 H GLY A 13 -18.741 -15.782 -30.453 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.038 -17.474 -28.343 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.987 -18.442 -29.803 1.00 0.00 H new ATOM 180 N ARG A 14 -15.760 -16.579 -28.752 1.00 0.00 N ATOM 181 CA ARG A 14 -14.420 -15.992 -28.914 1.00 0.00 C ATOM 182 C ARG A 14 -13.343 -16.961 -28.401 1.00 0.00 C ATOM 183 O ARG A 14 -13.610 -17.817 -27.535 1.00 0.00 O ATOM 184 CB ARG A 14 -14.325 -14.638 -28.158 1.00 0.00 C ATOM 185 CG ARG A 14 -15.326 -13.556 -28.636 1.00 0.00 C ATOM 186 CD ARG A 14 -15.208 -12.244 -27.834 1.00 0.00 C ATOM 187 NE ARG A 14 -13.876 -11.635 -27.987 1.00 0.00 N ATOM 188 CZ ARG A 14 -13.354 -10.671 -27.209 1.00 0.00 C ATOM 189 NH1 ARG A 14 -14.018 -10.181 -26.165 1.00 0.00 N ATOM 190 NH2 ARG A 14 -12.148 -10.198 -27.484 1.00 0.00 N ATOM 0 H ARG A 14 -16.000 -16.784 -27.782 1.00 0.00 H new ATOM 0 HA ARG A 14 -14.251 -15.812 -29.976 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -14.487 -14.819 -27.095 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -13.312 -14.249 -28.264 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -15.154 -13.349 -29.692 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.342 -13.941 -28.548 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -15.971 -11.542 -28.170 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.399 -12.443 -26.779 1.00 0.00 H new ATOM 0 HE ARG A 14 -13.296 -11.976 -28.754 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.947 -10.537 -25.939 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.598 -9.450 -25.591 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.625 -10.565 -28.279 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.742 -9.466 -26.901 1.00 0.00 H new ATOM 204 N GLU A 15 -12.129 -16.814 -28.959 1.00 0.00 N ATOM 205 CA GLU A 15 -10.933 -17.529 -28.503 1.00 0.00 C ATOM 206 C GLU A 15 -10.530 -16.978 -27.120 1.00 0.00 C ATOM 207 O GLU A 15 -10.204 -15.790 -27.002 1.00 0.00 O ATOM 208 CB GLU A 15 -9.778 -17.331 -29.521 1.00 0.00 C ATOM 209 CG GLU A 15 -8.450 -18.019 -29.138 1.00 0.00 C ATOM 210 CD GLU A 15 -7.285 -17.606 -30.046 1.00 0.00 C ATOM 211 OE1 GLU A 15 -7.152 -18.163 -31.157 1.00 0.00 O ATOM 212 OE2 GLU A 15 -6.511 -16.699 -29.668 1.00 0.00 O ATOM 0 H GLU A 15 -11.953 -16.189 -29.746 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.141 -18.596 -28.426 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.100 -17.709 -30.491 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.596 -16.263 -29.639 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.204 -17.775 -28.105 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.578 -19.100 -29.188 1.00 0.00 H new ATOM 219 N ASN A 16 -10.605 -17.816 -26.076 1.00 0.00 N ATOM 220 CA ASN A 16 -10.258 -17.407 -24.699 1.00 0.00 C ATOM 221 C ASN A 16 -8.788 -17.759 -24.399 1.00 0.00 C ATOM 222 O ASN A 16 -8.351 -18.894 -24.625 1.00 0.00 O ATOM 223 CB ASN A 16 -11.225 -18.054 -23.664 1.00 0.00 C ATOM 224 CG ASN A 16 -11.125 -19.582 -23.566 1.00 0.00 C ATOM 225 OD1 ASN A 16 -10.371 -20.123 -22.748 1.00 0.00 O ATOM 226 ND2 ASN A 16 -11.871 -20.282 -24.401 1.00 0.00 N ATOM 0 H ASN A 16 -10.904 -18.788 -26.156 1.00 0.00 H new ATOM 0 HA ASN A 16 -10.373 -16.326 -24.614 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.024 -17.626 -22.682 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.249 -17.786 -23.926 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.836 -21.301 -24.384 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.482 -19.803 -25.063 1.00 0.00 H new ATOM 233 N LEU A 17 -8.018 -16.763 -23.930 1.00 0.00 N ATOM 234 CA LEU A 17 -6.602 -16.936 -23.548 1.00 0.00 C ATOM 235 C LEU A 17 -6.436 -16.582 -22.063 1.00 0.00 C ATOM 236 O LEU A 17 -6.488 -15.401 -21.685 1.00 0.00 O ATOM 237 CB LEU A 17 -5.671 -16.065 -24.447 1.00 0.00 C ATOM 238 CG LEU A 17 -5.682 -16.399 -25.980 1.00 0.00 C ATOM 239 CD1 LEU A 17 -4.767 -15.435 -26.777 1.00 0.00 C ATOM 240 CD2 LEU A 17 -5.301 -17.880 -26.240 1.00 0.00 C ATOM 0 H LEU A 17 -8.360 -15.810 -23.804 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.311 -17.975 -23.700 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.953 -15.020 -24.322 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.649 -16.165 -24.081 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.702 -16.254 -26.337 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.798 -15.695 -27.835 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.115 -14.410 -26.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.743 -15.521 -26.413 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.318 -18.077 -27.312 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.301 -18.072 -25.852 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.016 -18.533 -25.739 1.00 0.00 H new ATOM 252 N TYR A 18 -6.290 -17.624 -21.225 1.00 0.00 N ATOM 253 CA TYR A 18 -6.060 -17.496 -19.775 1.00 0.00 C ATOM 254 C TYR A 18 -4.726 -18.170 -19.413 1.00 0.00 C ATOM 255 O TYR A 18 -4.431 -19.265 -19.913 1.00 0.00 O ATOM 256 CB TYR A 18 -7.219 -18.141 -18.971 1.00 0.00 C ATOM 257 CG TYR A 18 -8.568 -17.418 -19.123 1.00 0.00 C ATOM 258 CD1 TYR A 18 -8.823 -16.226 -18.442 1.00 0.00 C ATOM 259 CD2 TYR A 18 -9.579 -17.926 -19.941 1.00 0.00 C ATOM 260 CE1 TYR A 18 -10.028 -15.568 -18.577 1.00 0.00 C ATOM 261 CE2 TYR A 18 -10.784 -17.268 -20.073 1.00 0.00 C ATOM 262 CZ TYR A 18 -11.008 -16.097 -19.389 1.00 0.00 C ATOM 263 OH TYR A 18 -12.217 -15.447 -19.519 1.00 0.00 O ATOM 0 H TYR A 18 -6.329 -18.593 -21.541 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.020 -16.438 -19.516 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.336 -19.177 -19.290 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.947 -18.162 -17.916 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.062 -15.811 -17.797 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.415 -18.848 -20.479 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -10.203 -14.642 -18.049 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.552 -17.673 -20.715 1.00 0.00 H new ATOM 0 HH TYR A 18 -12.796 -15.951 -20.128 1.00 0.00 H new ATOM 273 N PHE A 19 -3.935 -17.504 -18.550 1.00 0.00 N ATOM 274 CA PHE A 19 -2.648 -18.022 -18.059 1.00 0.00 C ATOM 275 C PHE A 19 -2.883 -19.244 -17.129 1.00 0.00 C ATOM 276 O PHE A 19 -3.454 -19.117 -16.039 1.00 0.00 O ATOM 277 CB PHE A 19 -1.812 -16.886 -17.366 1.00 0.00 C ATOM 278 CG PHE A 19 -2.501 -16.136 -16.207 1.00 0.00 C ATOM 279 CD1 PHE A 19 -3.361 -15.063 -16.453 1.00 0.00 C ATOM 280 CD2 PHE A 19 -2.278 -16.501 -14.877 1.00 0.00 C ATOM 281 CE1 PHE A 19 -3.981 -14.394 -15.413 1.00 0.00 C ATOM 282 CE2 PHE A 19 -2.900 -15.834 -13.840 1.00 0.00 C ATOM 283 CZ PHE A 19 -3.748 -14.778 -14.106 1.00 0.00 C ATOM 0 H PHE A 19 -4.174 -16.587 -18.173 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.056 -18.368 -18.906 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.888 -17.324 -16.988 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.531 -16.157 -18.126 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.545 -14.751 -17.471 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.608 -17.319 -14.656 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.648 -13.571 -15.623 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.723 -16.139 -12.819 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.229 -14.253 -13.294 1.00 0.00 H new ATOM 293 N GLN A 20 -2.488 -20.436 -17.610 1.00 0.00 N ATOM 294 CA GLN A 20 -2.638 -21.703 -16.872 1.00 0.00 C ATOM 295 C GLN A 20 -1.402 -21.925 -15.981 1.00 0.00 C ATOM 296 O GLN A 20 -0.343 -22.345 -16.473 1.00 0.00 O ATOM 297 CB GLN A 20 -2.822 -22.888 -17.864 1.00 0.00 C ATOM 298 CG GLN A 20 -3.998 -22.722 -18.851 1.00 0.00 C ATOM 299 CD GLN A 20 -4.148 -23.885 -19.843 1.00 0.00 C ATOM 300 OE1 GLN A 20 -3.177 -24.550 -20.199 1.00 0.00 O ATOM 301 NE2 GLN A 20 -5.355 -24.122 -20.315 1.00 0.00 N ATOM 0 H GLN A 20 -2.054 -20.548 -18.526 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.525 -21.651 -16.241 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.901 -23.014 -18.434 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.971 -23.804 -17.292 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.923 -22.619 -18.284 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.862 -21.796 -19.410 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.144 -23.556 -20.004 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.500 -24.871 -20.992 1.00 0.00 H new ATOM 310 N GLY A 21 -1.531 -21.585 -14.684 1.00 0.00 N ATOM 311 CA GLY A 21 -0.457 -21.771 -13.704 1.00 0.00 C ATOM 312 C GLY A 21 0.300 -20.478 -13.422 1.00 0.00 C ATOM 313 O GLY A 21 1.056 -19.995 -14.272 1.00 0.00 O ATOM 0 H GLY A 21 -2.380 -21.176 -14.293 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.879 -22.152 -12.774 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.240 -22.525 -14.071 1.00 0.00 H new ATOM 317 N HIS A 22 0.063 -19.907 -12.230 1.00 0.00 N ATOM 318 CA HIS A 22 0.768 -18.721 -11.721 1.00 0.00 C ATOM 319 C HIS A 22 0.504 -18.616 -10.212 1.00 0.00 C ATOM 320 O HIS A 22 -0.583 -18.194 -9.798 1.00 0.00 O ATOM 321 CB HIS A 22 0.312 -17.421 -12.459 1.00 0.00 C ATOM 322 CG HIS A 22 1.072 -16.176 -12.064 1.00 0.00 C ATOM 323 ND1 HIS A 22 2.179 -15.732 -12.751 1.00 0.00 N ATOM 324 CD2 HIS A 22 0.876 -15.279 -11.062 1.00 0.00 C ATOM 325 CE1 HIS A 22 2.630 -14.628 -12.195 1.00 0.00 C ATOM 326 NE2 HIS A 22 1.857 -14.332 -11.173 1.00 0.00 N ATOM 0 H HIS A 22 -0.638 -20.264 -11.581 1.00 0.00 H new ATOM 0 HA HIS A 22 1.837 -18.827 -11.907 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.420 -17.572 -13.533 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.748 -17.261 -12.264 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.093 -15.308 -10.318 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.489 -14.061 -12.522 1.00 0.00 H new ATOM 0 HE2 HIS A 22 1.971 -13.524 -10.560 1.00 0.00 H new ATOM 335 N MET A 23 1.484 -19.054 -9.405 1.00 0.00 N ATOM 336 CA MET A 23 1.428 -18.977 -7.933 1.00 0.00 C ATOM 337 C MET A 23 1.698 -17.518 -7.480 1.00 0.00 C ATOM 338 O MET A 23 2.814 -17.018 -7.672 1.00 0.00 O ATOM 339 CB MET A 23 2.467 -19.959 -7.325 1.00 0.00 C ATOM 340 CG MET A 23 2.578 -19.940 -5.791 1.00 0.00 C ATOM 341 SD MET A 23 1.032 -20.362 -4.963 1.00 0.00 S ATOM 342 CE MET A 23 1.547 -20.408 -3.241 1.00 0.00 C ATOM 0 H MET A 23 2.344 -19.475 -9.757 1.00 0.00 H new ATOM 0 HA MET A 23 0.438 -19.265 -7.579 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.213 -20.971 -7.641 1.00 0.00 H new ATOM 0 HB3 MET A 23 3.446 -19.730 -7.746 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.353 -20.641 -5.480 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.897 -18.949 -5.468 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.944 -21.137 -2.700 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.598 -20.691 -3.183 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.412 -19.423 -2.794 1.00 0.00 H new ATOM 352 N PRO A 24 0.678 -16.792 -6.918 1.00 0.00 N ATOM 353 CA PRO A 24 0.844 -15.402 -6.464 1.00 0.00 C ATOM 354 C PRO A 24 1.372 -15.335 -5.007 1.00 0.00 C ATOM 355 O PRO A 24 0.611 -15.221 -4.045 1.00 0.00 O ATOM 356 CB PRO A 24 -0.588 -14.835 -6.633 1.00 0.00 C ATOM 357 CG PRO A 24 -1.502 -15.999 -6.355 1.00 0.00 C ATOM 358 CD PRO A 24 -0.718 -17.267 -6.684 1.00 0.00 C ATOM 0 HA PRO A 24 1.587 -14.831 -7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -0.772 -14.014 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.742 -14.444 -7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -1.819 -16.001 -5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.405 -15.935 -6.962 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.761 -17.984 -5.865 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.121 -17.765 -7.566 1.00 0.00 H new ATOM 366 N ASN A 25 2.696 -15.442 -4.861 1.00 0.00 N ATOM 367 CA ASN A 25 3.375 -15.504 -3.547 1.00 0.00 C ATOM 368 C ASN A 25 4.635 -14.618 -3.579 1.00 0.00 C ATOM 369 O ASN A 25 5.740 -15.102 -3.837 1.00 0.00 O ATOM 370 CB ASN A 25 3.712 -16.987 -3.210 1.00 0.00 C ATOM 371 CG ASN A 25 4.377 -17.195 -1.842 1.00 0.00 C ATOM 372 OD1 ASN A 25 4.124 -16.468 -0.884 1.00 0.00 O ATOM 373 ND2 ASN A 25 5.228 -18.203 -1.742 1.00 0.00 N ATOM 0 H ASN A 25 3.338 -15.489 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 25 2.722 -15.124 -2.762 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.793 -17.572 -3.246 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.371 -17.381 -3.984 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.692 -18.392 -0.854 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.420 -18.791 -2.553 1.00 0.00 H new ATOM 380 N ASP A 26 4.447 -13.306 -3.348 1.00 0.00 N ATOM 381 CA ASP A 26 5.530 -12.304 -3.460 1.00 0.00 C ATOM 382 C ASP A 26 5.108 -10.993 -2.770 1.00 0.00 C ATOM 383 O ASP A 26 3.917 -10.686 -2.730 1.00 0.00 O ATOM 384 CB ASP A 26 5.858 -12.064 -4.960 1.00 0.00 C ATOM 385 CG ASP A 26 6.990 -11.055 -5.189 1.00 0.00 C ATOM 386 OD1 ASP A 26 8.163 -11.398 -4.938 1.00 0.00 O ATOM 387 OD2 ASP A 26 6.718 -9.915 -5.611 1.00 0.00 O ATOM 0 H ASP A 26 3.546 -12.909 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 26 6.426 -12.674 -2.962 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.131 -13.014 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.960 -11.711 -5.467 1.00 0.00 H new ATOM 392 N MET A 27 6.093 -10.239 -2.236 1.00 0.00 N ATOM 393 CA MET A 27 5.861 -8.951 -1.533 1.00 0.00 C ATOM 394 C MET A 27 5.127 -7.949 -2.438 1.00 0.00 C ATOM 395 O MET A 27 4.097 -7.383 -2.048 1.00 0.00 O ATOM 396 CB MET A 27 7.214 -8.332 -1.065 1.00 0.00 C ATOM 397 CG MET A 27 7.099 -6.912 -0.479 1.00 0.00 C ATOM 398 SD MET A 27 8.698 -6.170 -0.134 1.00 0.00 S ATOM 399 CE MET A 27 8.222 -4.497 0.303 1.00 0.00 C ATOM 0 H MET A 27 7.077 -10.505 -2.279 1.00 0.00 H new ATOM 0 HA MET A 27 5.238 -9.159 -0.663 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.658 -8.986 -0.314 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.900 -8.307 -1.912 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.553 -6.279 -1.178 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.515 -6.950 0.441 1.00 0.00 H new ATOM 0 HE1 MET A 27 9.014 -3.806 0.014 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.302 -4.233 -0.218 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.061 -4.434 1.379 1.00 0.00 H new ATOM 409 N GLU A 28 5.690 -7.745 -3.648 1.00 0.00 N ATOM 410 CA GLU A 28 5.153 -6.815 -4.658 1.00 0.00 C ATOM 411 C GLU A 28 3.750 -7.268 -5.091 1.00 0.00 C ATOM 412 O GLU A 28 2.877 -6.433 -5.264 1.00 0.00 O ATOM 413 CB GLU A 28 6.157 -6.711 -5.854 1.00 0.00 C ATOM 414 CG GLU A 28 5.784 -5.764 -7.037 1.00 0.00 C ATOM 415 CD GLU A 28 4.719 -6.323 -8.006 1.00 0.00 C ATOM 416 OE1 GLU A 28 4.826 -7.512 -8.396 1.00 0.00 O ATOM 417 OE2 GLU A 28 3.807 -5.575 -8.424 1.00 0.00 O ATOM 0 H GLU A 28 6.537 -8.226 -3.951 1.00 0.00 H new ATOM 0 HA GLU A 28 5.045 -5.815 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.119 -6.387 -5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.300 -7.713 -6.259 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.423 -4.820 -6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.688 -5.540 -7.603 1.00 0.00 H new ATOM 424 N ASP A 29 3.555 -8.601 -5.247 1.00 0.00 N ATOM 425 CA ASP A 29 2.244 -9.194 -5.611 1.00 0.00 C ATOM 426 C ASP A 29 1.167 -8.841 -4.569 1.00 0.00 C ATOM 427 O ASP A 29 0.088 -8.378 -4.930 1.00 0.00 O ATOM 428 CB ASP A 29 2.353 -10.738 -5.749 1.00 0.00 C ATOM 429 CG ASP A 29 0.986 -11.431 -5.951 1.00 0.00 C ATOM 430 OD1 ASP A 29 0.441 -11.381 -7.081 1.00 0.00 O ATOM 431 OD2 ASP A 29 0.435 -11.992 -4.974 1.00 0.00 O ATOM 0 H ASP A 29 4.296 -9.291 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 29 1.951 -8.773 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.001 -10.976 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.830 -11.143 -4.856 1.00 0.00 H new ATOM 436 N HIS A 30 1.481 -9.081 -3.283 1.00 0.00 N ATOM 437 CA HIS A 30 0.550 -8.832 -2.160 1.00 0.00 C ATOM 438 C HIS A 30 0.243 -7.340 -2.027 1.00 0.00 C ATOM 439 O HIS A 30 -0.887 -6.973 -1.735 1.00 0.00 O ATOM 440 CB HIS A 30 1.095 -9.414 -0.826 1.00 0.00 C ATOM 441 CG HIS A 30 0.891 -10.902 -0.683 1.00 0.00 C ATOM 442 ND1 HIS A 30 -0.114 -11.440 0.084 1.00 0.00 N ATOM 443 CD2 HIS A 30 1.561 -11.959 -1.199 1.00 0.00 C ATOM 444 CE1 HIS A 30 -0.053 -12.749 0.036 1.00 0.00 C ATOM 445 NE2 HIS A 30 0.957 -13.096 -0.737 1.00 0.00 N ATOM 0 H HIS A 30 2.385 -9.452 -2.990 1.00 0.00 H new ATOM 0 HA HIS A 30 -0.383 -9.350 -2.383 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.160 -9.194 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.607 -8.908 0.007 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -0.803 -10.903 0.611 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.417 -11.913 -1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.719 -13.430 0.545 1.00 0.00 H new ATOM 454 N LEU A 31 1.253 -6.498 -2.284 1.00 0.00 N ATOM 455 CA LEU A 31 1.115 -5.031 -2.221 1.00 0.00 C ATOM 456 C LEU A 31 0.241 -4.548 -3.402 1.00 0.00 C ATOM 457 O LEU A 31 -0.581 -3.652 -3.244 1.00 0.00 O ATOM 458 CB LEU A 31 2.537 -4.377 -2.212 1.00 0.00 C ATOM 459 CG LEU A 31 2.669 -2.925 -1.619 1.00 0.00 C ATOM 460 CD1 LEU A 31 4.143 -2.597 -1.271 1.00 0.00 C ATOM 461 CD2 LEU A 31 2.100 -1.850 -2.570 1.00 0.00 C ATOM 0 H LEU A 31 2.189 -6.811 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 31 0.613 -4.727 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.204 -5.031 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.903 -4.355 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 31 2.075 -2.908 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.205 -1.588 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.510 -3.310 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.753 -2.662 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.214 -0.866 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.640 -1.878 -3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.043 -2.046 -2.750 1.00 0.00 H new ATOM 473 N LEU A 32 0.413 -5.195 -4.567 1.00 0.00 N ATOM 474 CA LEU A 32 -0.338 -4.887 -5.802 1.00 0.00 C ATOM 475 C LEU A 32 -1.809 -5.360 -5.666 1.00 0.00 C ATOM 476 O LEU A 32 -2.718 -4.795 -6.286 1.00 0.00 O ATOM 477 CB LEU A 32 0.357 -5.569 -7.020 1.00 0.00 C ATOM 478 CG LEU A 32 -0.008 -5.000 -8.426 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.486 -3.544 -8.577 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.548 -5.892 -9.563 1.00 0.00 C ATOM 0 H LEU A 32 1.084 -5.955 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.344 -3.809 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.436 -5.490 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.111 -6.631 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.095 -5.002 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.219 -3.170 -9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.019 -2.920 -7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.569 -3.513 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.274 -5.465 -10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.634 -5.946 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.128 -6.894 -9.478 1.00 0.00 H new ATOM 492 N THR A 33 -2.006 -6.412 -4.851 1.00 0.00 N ATOM 493 CA THR A 33 -3.332 -6.941 -4.484 1.00 0.00 C ATOM 494 C THR A 33 -4.035 -5.972 -3.525 1.00 0.00 C ATOM 495 O THR A 33 -5.226 -5.711 -3.678 1.00 0.00 O ATOM 496 CB THR A 33 -3.202 -8.361 -3.826 1.00 0.00 C ATOM 497 OG1 THR A 33 -2.656 -9.278 -4.789 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.539 -8.917 -3.284 1.00 0.00 C ATOM 0 H THR A 33 -1.237 -6.926 -4.422 1.00 0.00 H new ATOM 0 HA THR A 33 -3.929 -7.039 -5.390 1.00 0.00 H new ATOM 0 HB THR A 33 -2.541 -8.252 -2.966 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.704 -9.086 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.373 -9.900 -2.844 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.933 -8.242 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.256 -9.002 -4.101 1.00 0.00 H new ATOM 506 N VAL A 34 -3.272 -5.444 -2.549 1.00 0.00 N ATOM 507 CA VAL A 34 -3.745 -4.400 -1.617 1.00 0.00 C ATOM 508 C VAL A 34 -4.269 -3.191 -2.406 1.00 0.00 C ATOM 509 O VAL A 34 -5.353 -2.684 -2.127 1.00 0.00 O ATOM 510 CB VAL A 34 -2.585 -3.958 -0.629 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.913 -2.643 0.111 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.249 -5.086 0.376 1.00 0.00 C ATOM 0 H VAL A 34 -2.307 -5.730 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.558 -4.811 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.704 -3.769 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.088 -2.384 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.060 -1.844 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.823 -2.772 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.451 -4.755 1.041 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.135 -5.325 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.924 -5.973 -0.168 1.00 0.00 H new ATOM 522 N LEU A 35 -3.484 -2.777 -3.411 1.00 0.00 N ATOM 523 CA LEU A 35 -3.839 -1.685 -4.327 1.00 0.00 C ATOM 524 C LEU A 35 -5.109 -2.024 -5.124 1.00 0.00 C ATOM 525 O LEU A 35 -5.981 -1.188 -5.253 1.00 0.00 O ATOM 526 CB LEU A 35 -2.652 -1.395 -5.284 1.00 0.00 C ATOM 527 CG LEU A 35 -1.351 -0.851 -4.608 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.172 -0.784 -5.613 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.607 0.517 -3.935 1.00 0.00 C ATOM 0 H LEU A 35 -2.576 -3.195 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.046 -0.791 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.406 -2.314 -5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.980 -0.672 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.064 -1.554 -3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.715 -0.401 -5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.033 -1.782 -6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.434 -0.121 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.686 0.873 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.937 1.235 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.378 0.409 -3.172 1.00 0.00 H new ATOM 541 N SER A 36 -5.195 -3.275 -5.621 1.00 0.00 N ATOM 542 CA SER A 36 -6.309 -3.754 -6.478 1.00 0.00 C ATOM 543 C SER A 36 -7.649 -3.771 -5.721 1.00 0.00 C ATOM 544 O SER A 36 -8.702 -3.509 -6.305 1.00 0.00 O ATOM 545 CB SER A 36 -5.978 -5.162 -7.029 1.00 0.00 C ATOM 546 OG SER A 36 -6.961 -5.627 -7.946 1.00 0.00 O ATOM 0 H SER A 36 -4.490 -3.990 -5.440 1.00 0.00 H new ATOM 0 HA SER A 36 -6.418 -3.057 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.006 -5.138 -7.523 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.897 -5.865 -6.200 1.00 0.00 H new ATOM 0 HG SER A 36 -7.234 -4.892 -8.534 1.00 0.00 H new ATOM 552 N VAL A 37 -7.579 -4.084 -4.424 1.00 0.00 N ATOM 553 CA VAL A 37 -8.751 -4.122 -3.533 1.00 0.00 C ATOM 554 C VAL A 37 -9.120 -2.688 -3.083 1.00 0.00 C ATOM 555 O VAL A 37 -10.298 -2.340 -3.012 1.00 0.00 O ATOM 556 CB VAL A 37 -8.476 -5.069 -2.291 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.655 -5.078 -1.292 1.00 0.00 C ATOM 558 CG2 VAL A 37 -8.155 -6.514 -2.761 1.00 0.00 C ATOM 0 H VAL A 37 -6.704 -4.320 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.600 -4.535 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.608 -4.666 -1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.421 -5.740 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.822 -4.068 -0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.555 -5.432 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.970 -7.146 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.000 -6.910 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.269 -6.502 -3.396 1.00 0.00 H new ATOM 568 N ALA A 38 -8.089 -1.853 -2.844 1.00 0.00 N ATOM 569 CA ALA A 38 -8.254 -0.462 -2.356 1.00 0.00 C ATOM 570 C ALA A 38 -8.753 0.485 -3.473 1.00 0.00 C ATOM 571 O ALA A 38 -9.393 1.499 -3.191 1.00 0.00 O ATOM 572 CB ALA A 38 -6.927 0.043 -1.765 1.00 0.00 C ATOM 0 H ALA A 38 -7.115 -2.121 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.016 -0.465 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.053 1.065 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.632 -0.598 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.154 0.020 -2.533 1.00 0.00 H new ATOM 578 N SER A 39 -8.445 0.144 -4.736 1.00 0.00 N ATOM 579 CA SER A 39 -8.845 0.931 -5.913 1.00 0.00 C ATOM 580 C SER A 39 -10.124 0.364 -6.533 1.00 0.00 C ATOM 581 O SER A 39 -11.017 1.109 -6.941 1.00 0.00 O ATOM 582 CB SER A 39 -7.711 0.907 -6.957 1.00 0.00 C ATOM 583 OG SER A 39 -7.436 -0.417 -7.394 1.00 0.00 O ATOM 0 H SER A 39 -7.908 -0.691 -4.969 1.00 0.00 H new ATOM 0 HA SER A 39 -9.036 1.957 -5.598 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.988 1.524 -7.812 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.810 1.345 -6.528 1.00 0.00 H new ATOM 0 HG SER A 39 -7.019 -0.922 -6.665 1.00 0.00 H new ATOM 589 N GLY A 40 -10.190 -0.974 -6.602 1.00 0.00 N ATOM 590 CA GLY A 40 -11.268 -1.682 -7.290 1.00 0.00 C ATOM 591 C GLY A 40 -10.876 -2.104 -8.707 1.00 0.00 C ATOM 592 O GLY A 40 -11.566 -2.931 -9.319 1.00 0.00 O ATOM 0 H GLY A 40 -9.495 -1.591 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.545 -2.565 -6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.149 -1.042 -7.335 1.00 0.00 H new ATOM 596 N VAL A 41 -9.774 -1.524 -9.244 1.00 0.00 N ATOM 597 CA VAL A 41 -9.293 -1.816 -10.599 1.00 0.00 C ATOM 598 C VAL A 41 -8.357 -3.052 -10.584 1.00 0.00 C ATOM 599 O VAL A 41 -7.677 -3.285 -9.580 1.00 0.00 O ATOM 600 CB VAL A 41 -8.567 -0.565 -11.236 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.477 0.684 -11.203 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.196 -0.266 -10.587 1.00 0.00 C ATOM 0 H VAL A 41 -9.202 -0.844 -8.744 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.158 -2.043 -11.223 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.368 -0.824 -12.276 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.951 1.529 -11.648 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.388 0.485 -11.768 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.734 0.920 -10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.748 0.604 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.333 -0.063 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.539 -1.127 -10.710 1.00 0.00 H new ATOM 612 N PRO A 42 -8.347 -3.890 -11.681 1.00 0.00 N ATOM 613 CA PRO A 42 -7.409 -5.044 -11.818 1.00 0.00 C ATOM 614 C PRO A 42 -5.918 -4.670 -11.620 1.00 0.00 C ATOM 615 O PRO A 42 -5.524 -3.521 -11.841 1.00 0.00 O ATOM 616 CB PRO A 42 -7.664 -5.538 -13.266 1.00 0.00 C ATOM 617 CG PRO A 42 -9.088 -5.154 -13.543 1.00 0.00 C ATOM 618 CD PRO A 42 -9.295 -3.829 -12.831 1.00 0.00 C ATOM 0 HA PRO A 42 -7.592 -5.794 -11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.980 -5.068 -13.973 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -7.519 -6.615 -13.350 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.267 -5.057 -14.614 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.778 -5.911 -13.172 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.076 -2.985 -13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.325 -3.713 -12.494 1.00 0.00 H new ATOM 626 N LYS A 43 -5.097 -5.669 -11.225 1.00 0.00 N ATOM 627 CA LYS A 43 -3.640 -5.491 -11.018 1.00 0.00 C ATOM 628 C LYS A 43 -2.931 -5.119 -12.339 1.00 0.00 C ATOM 629 O LYS A 43 -1.876 -4.478 -12.325 1.00 0.00 O ATOM 630 CB LYS A 43 -3.008 -6.781 -10.429 1.00 0.00 C ATOM 631 CG LYS A 43 -3.564 -7.217 -9.052 1.00 0.00 C ATOM 632 CD LYS A 43 -2.825 -8.451 -8.453 1.00 0.00 C ATOM 633 CE LYS A 43 -2.861 -9.686 -9.377 1.00 0.00 C ATOM 634 NZ LYS A 43 -2.213 -10.873 -8.747 1.00 0.00 N ATOM 0 H LYS A 43 -5.423 -6.618 -11.041 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.506 -4.674 -10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.157 -7.596 -11.138 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.932 -6.631 -10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.486 -6.382 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.624 -7.450 -9.153 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.787 -8.184 -8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.277 -8.708 -7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.896 -9.925 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.357 -9.452 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.983 -11.573 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.340 -10.577 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.864 -11.297 -8.056 1.00 0.00 H new ATOM 648 N GLU A 44 -3.535 -5.534 -13.471 1.00 0.00 N ATOM 649 CA GLU A 44 -3.042 -5.218 -14.831 1.00 0.00 C ATOM 650 C GLU A 44 -3.162 -3.708 -15.138 1.00 0.00 C ATOM 651 O GLU A 44 -2.360 -3.159 -15.903 1.00 0.00 O ATOM 652 CB GLU A 44 -3.832 -6.035 -15.887 1.00 0.00 C ATOM 653 CG GLU A 44 -3.732 -7.569 -15.715 1.00 0.00 C ATOM 654 CD GLU A 44 -4.547 -8.353 -16.759 1.00 0.00 C ATOM 655 OE1 GLU A 44 -4.036 -8.593 -17.872 1.00 0.00 O ATOM 656 OE2 GLU A 44 -5.705 -8.731 -16.470 1.00 0.00 O ATOM 0 H GLU A 44 -4.383 -6.101 -13.469 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.987 -5.490 -14.876 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.882 -5.744 -15.842 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.470 -5.769 -16.880 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.686 -7.868 -15.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.077 -7.839 -14.717 1.00 0.00 H new ATOM 663 N GLU A 45 -4.185 -3.066 -14.543 1.00 0.00 N ATOM 664 CA GLU A 45 -4.410 -1.610 -14.655 1.00 0.00 C ATOM 665 C GLU A 45 -3.363 -0.836 -13.830 1.00 0.00 C ATOM 666 O GLU A 45 -2.973 0.280 -14.187 1.00 0.00 O ATOM 667 CB GLU A 45 -5.845 -1.258 -14.165 1.00 0.00 C ATOM 668 CG GLU A 45 -6.983 -1.887 -15.001 1.00 0.00 C ATOM 669 CD GLU A 45 -7.132 -1.249 -16.396 1.00 0.00 C ATOM 670 OE1 GLU A 45 -6.472 -1.703 -17.357 1.00 0.00 O ATOM 671 OE2 GLU A 45 -7.901 -0.272 -16.530 1.00 0.00 O ATOM 0 H GLU A 45 -4.881 -3.542 -13.969 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.308 -1.320 -15.701 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.951 -1.582 -13.130 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.962 -0.174 -14.173 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.795 -2.955 -15.115 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.923 -1.785 -14.459 1.00 0.00 H new ATOM 678 N ILE A 46 -2.903 -1.465 -12.737 1.00 0.00 N ATOM 679 CA ILE A 46 -1.987 -0.841 -11.769 1.00 0.00 C ATOM 680 C ILE A 46 -0.520 -1.086 -12.165 1.00 0.00 C ATOM 681 O ILE A 46 0.039 -2.165 -11.908 1.00 0.00 O ATOM 682 CB ILE A 46 -2.236 -1.380 -10.312 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.761 -1.372 -9.996 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.436 -0.547 -9.265 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.134 -1.958 -8.660 1.00 0.00 C ATOM 0 H ILE A 46 -3.157 -2.424 -12.499 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.187 0.231 -11.782 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.877 -2.408 -10.252 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.121 -0.344 -10.039 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.282 -1.925 -10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.625 -0.940 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.370 -0.613 -9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.752 0.495 -9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.215 -1.908 -8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.811 -2.998 -8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.647 -1.392 -7.866 1.00 0.00 H new ATOM 697 N SER A 47 0.078 -0.097 -12.839 1.00 0.00 N ATOM 698 CA SER A 47 1.527 -0.045 -13.069 1.00 0.00 C ATOM 699 C SER A 47 2.223 0.474 -11.805 1.00 0.00 C ATOM 700 O SER A 47 1.597 1.170 -10.993 1.00 0.00 O ATOM 701 CB SER A 47 1.826 0.875 -14.274 1.00 0.00 C ATOM 702 OG SER A 47 1.171 0.413 -15.449 1.00 0.00 O ATOM 0 H SER A 47 -0.430 0.691 -13.241 1.00 0.00 H new ATOM 0 HA SER A 47 1.904 -1.043 -13.292 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.501 1.891 -14.049 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.902 0.915 -14.446 1.00 0.00 H new ATOM 0 HG SER A 47 1.376 1.014 -16.195 1.00 0.00 H new ATOM 708 N ARG A 48 3.518 0.150 -11.647 1.00 0.00 N ATOM 709 CA ARG A 48 4.327 0.628 -10.497 1.00 0.00 C ATOM 710 C ARG A 48 4.539 2.146 -10.624 1.00 0.00 C ATOM 711 O ARG A 48 4.635 2.859 -9.630 1.00 0.00 O ATOM 712 CB ARG A 48 5.699 -0.119 -10.385 1.00 0.00 C ATOM 713 CG ARG A 48 5.623 -1.630 -10.015 1.00 0.00 C ATOM 714 CD ARG A 48 5.052 -2.504 -11.140 1.00 0.00 C ATOM 715 NE ARG A 48 5.000 -3.932 -10.777 1.00 0.00 N ATOM 716 CZ ARG A 48 5.819 -4.887 -11.252 1.00 0.00 C ATOM 717 NH1 ARG A 48 6.884 -4.578 -11.980 1.00 0.00 N ATOM 718 NH2 ARG A 48 5.586 -6.153 -10.963 1.00 0.00 N ATOM 0 H ARG A 48 4.033 -0.442 -12.299 1.00 0.00 H new ATOM 0 HA ARG A 48 3.780 0.408 -9.580 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.221 -0.024 -11.337 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.307 0.388 -9.636 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.622 -1.985 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.006 -1.748 -9.124 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.048 -2.159 -11.389 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.662 -2.382 -12.035 1.00 0.00 H new ATOM 0 HE ARG A 48 4.283 -4.219 -10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.094 -3.602 -12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.493 -5.317 -12.331 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.787 -6.405 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.205 -6.880 -11.321 1.00 0.00 H new ATOM 732 N ASP A 49 4.579 2.634 -11.866 1.00 0.00 N ATOM 733 CA ASP A 49 4.558 4.070 -12.155 1.00 0.00 C ATOM 734 C ASP A 49 3.094 4.515 -12.343 1.00 0.00 C ATOM 735 O ASP A 49 2.546 4.456 -13.453 1.00 0.00 O ATOM 736 CB ASP A 49 5.421 4.390 -13.404 1.00 0.00 C ATOM 737 CG ASP A 49 5.471 5.898 -13.732 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.043 6.669 -12.930 1.00 0.00 O ATOM 739 OD2 ASP A 49 4.919 6.317 -14.776 1.00 0.00 O ATOM 0 H ASP A 49 4.627 2.046 -12.698 1.00 0.00 H new ATOM 0 HA ASP A 49 4.991 4.624 -11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.435 4.025 -13.241 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.022 3.850 -14.263 1.00 0.00 H new ATOM 744 N SER A 50 2.439 4.862 -11.223 1.00 0.00 N ATOM 745 CA SER A 50 1.091 5.455 -11.215 1.00 0.00 C ATOM 746 C SER A 50 1.017 6.504 -10.101 1.00 0.00 C ATOM 747 O SER A 50 1.565 6.291 -9.014 1.00 0.00 O ATOM 748 CB SER A 50 0.012 4.364 -10.998 1.00 0.00 C ATOM 749 OG SER A 50 -1.291 4.928 -10.925 1.00 0.00 O ATOM 0 H SER A 50 2.833 4.738 -10.290 1.00 0.00 H new ATOM 0 HA SER A 50 0.900 5.927 -12.179 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.052 3.643 -11.815 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.225 3.817 -10.079 1.00 0.00 H new ATOM 0 HG SER A 50 -1.949 4.215 -10.790 1.00 0.00 H new ATOM 755 N ARG A 51 0.302 7.612 -10.368 1.00 0.00 N ATOM 756 CA ARG A 51 0.184 8.767 -9.443 1.00 0.00 C ATOM 757 C ARG A 51 -0.953 8.571 -8.413 1.00 0.00 C ATOM 758 O ARG A 51 -1.411 9.547 -7.812 1.00 0.00 O ATOM 759 CB ARG A 51 -0.040 10.065 -10.277 1.00 0.00 C ATOM 760 CG ARG A 51 1.098 10.382 -11.273 1.00 0.00 C ATOM 761 CD ARG A 51 2.443 10.648 -10.579 1.00 0.00 C ATOM 762 NE ARG A 51 3.523 10.879 -11.554 1.00 0.00 N ATOM 763 CZ ARG A 51 4.659 11.550 -11.312 1.00 0.00 C ATOM 764 NH1 ARG A 51 4.892 12.094 -10.127 1.00 0.00 N ATOM 765 NH2 ARG A 51 5.568 11.666 -12.264 1.00 0.00 N ATOM 0 H ARG A 51 -0.216 7.737 -11.237 1.00 0.00 H new ATOM 0 HA ARG A 51 1.109 8.851 -8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.975 9.972 -10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.155 10.907 -9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.211 9.548 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.822 11.254 -11.866 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.350 11.516 -9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.700 9.799 -9.946 1.00 0.00 H new ATOM 0 HE ARG A 51 3.396 10.497 -12.491 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.202 12.006 -9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.761 12.601 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.405 11.246 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.433 12.175 -12.084 1.00 0.00 H new ATOM 779 N MET A 52 -1.403 7.298 -8.231 1.00 0.00 N ATOM 780 CA MET A 52 -2.433 6.911 -7.240 1.00 0.00 C ATOM 781 C MET A 52 -3.774 7.614 -7.493 1.00 0.00 C ATOM 782 O MET A 52 -4.606 7.654 -6.593 1.00 0.00 O ATOM 783 CB MET A 52 -1.933 7.164 -5.783 1.00 0.00 C ATOM 784 CG MET A 52 -0.782 6.262 -5.349 1.00 0.00 C ATOM 785 SD MET A 52 -0.293 6.533 -3.637 1.00 0.00 S ATOM 786 CE MET A 52 0.719 5.090 -3.360 1.00 0.00 C ATOM 0 H MET A 52 -1.054 6.509 -8.776 1.00 0.00 H new ATOM 0 HA MET A 52 -2.606 5.842 -7.360 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.618 8.204 -5.695 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.767 7.025 -5.096 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.074 5.220 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 52 0.075 6.436 -5.999 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.371 4.567 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.649 4.426 -4.221 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.756 5.394 -3.220 1.00 0.00 H new ATOM 796 N GLU A 53 -3.987 8.022 -8.773 1.00 0.00 N ATOM 797 CA GLU A 53 -5.084 8.911 -9.243 1.00 0.00 C ATOM 798 C GLU A 53 -6.395 8.743 -8.448 1.00 0.00 C ATOM 799 O GLU A 53 -6.894 9.691 -7.838 1.00 0.00 O ATOM 800 CB GLU A 53 -5.329 8.662 -10.759 1.00 0.00 C ATOM 801 CG GLU A 53 -6.323 9.632 -11.430 1.00 0.00 C ATOM 802 CD GLU A 53 -5.822 11.087 -11.454 1.00 0.00 C ATOM 803 OE1 GLU A 53 -5.051 11.445 -12.375 1.00 0.00 O ATOM 804 OE2 GLU A 53 -6.183 11.873 -10.552 1.00 0.00 O ATOM 0 H GLU A 53 -3.375 7.729 -9.535 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.763 9.939 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.374 8.727 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.695 7.644 -10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.511 9.302 -12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.275 9.590 -10.901 1.00 0.00 H new ATOM 811 N ASP A 54 -6.914 7.518 -8.456 1.00 0.00 N ATOM 812 CA ASP A 54 -8.068 7.111 -7.627 1.00 0.00 C ATOM 813 C ASP A 54 -7.728 5.778 -6.913 1.00 0.00 C ATOM 814 O ASP A 54 -8.580 5.160 -6.271 1.00 0.00 O ATOM 815 CB ASP A 54 -9.317 6.998 -8.558 1.00 0.00 C ATOM 816 CG ASP A 54 -10.635 6.659 -7.842 1.00 0.00 C ATOM 817 OD1 ASP A 54 -11.167 7.520 -7.115 1.00 0.00 O ATOM 818 OD2 ASP A 54 -11.142 5.526 -8.005 1.00 0.00 O ATOM 0 H ASP A 54 -6.549 6.766 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.291 7.843 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.442 7.942 -9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.123 6.233 -9.310 1.00 0.00 H new ATOM 823 N LEU A 55 -6.431 5.371 -7.006 1.00 0.00 N ATOM 824 CA LEU A 55 -5.940 4.072 -6.497 1.00 0.00 C ATOM 825 C LEU A 55 -5.631 4.122 -4.990 1.00 0.00 C ATOM 826 O LEU A 55 -5.933 3.165 -4.271 1.00 0.00 O ATOM 827 CB LEU A 55 -4.677 3.587 -7.272 1.00 0.00 C ATOM 828 CG LEU A 55 -4.848 3.405 -8.826 1.00 0.00 C ATOM 829 CD1 LEU A 55 -4.596 4.720 -9.601 1.00 0.00 C ATOM 830 CD2 LEU A 55 -3.962 2.269 -9.356 1.00 0.00 C ATOM 0 H LEU A 55 -5.702 5.939 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.748 3.359 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.871 4.300 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.358 2.635 -6.848 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.888 3.129 -8.999 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.726 4.544 -10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.305 5.479 -9.270 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.580 5.065 -9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.103 2.169 -10.432 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.916 2.495 -9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.236 1.335 -8.866 1.00 0.00 H new ATOM 842 N ALA A 56 -4.989 5.223 -4.528 1.00 0.00 N ATOM 843 CA ALA A 56 -4.599 5.392 -3.100 1.00 0.00 C ATOM 844 C ALA A 56 -4.572 6.870 -2.663 1.00 0.00 C ATOM 845 O ALA A 56 -4.319 7.155 -1.483 1.00 0.00 O ATOM 846 CB ALA A 56 -3.242 4.706 -2.820 1.00 0.00 C ATOM 0 H ALA A 56 -4.729 6.010 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.368 4.904 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.975 4.841 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.320 3.641 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.472 5.151 -3.450 1.00 0.00 H new ATOM 852 N PHE A 57 -4.853 7.808 -3.598 1.00 0.00 N ATOM 853 CA PHE A 57 -4.838 9.262 -3.310 1.00 0.00 C ATOM 854 C PHE A 57 -6.215 9.689 -2.757 1.00 0.00 C ATOM 855 O PHE A 57 -7.050 10.255 -3.480 1.00 0.00 O ATOM 856 CB PHE A 57 -4.445 10.061 -4.596 1.00 0.00 C ATOM 857 CG PHE A 57 -4.086 11.536 -4.384 1.00 0.00 C ATOM 858 CD1 PHE A 57 -5.064 12.532 -4.424 1.00 0.00 C ATOM 859 CD2 PHE A 57 -2.764 11.925 -4.153 1.00 0.00 C ATOM 860 CE1 PHE A 57 -4.735 13.858 -4.241 1.00 0.00 C ATOM 861 CE2 PHE A 57 -2.437 13.257 -3.971 1.00 0.00 C ATOM 862 CZ PHE A 57 -3.421 14.222 -4.014 1.00 0.00 C ATOM 0 H PHE A 57 -5.094 7.582 -4.563 1.00 0.00 H new ATOM 0 HA PHE A 57 -4.088 9.485 -2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.595 9.564 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.274 10.007 -5.302 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.094 12.259 -4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.987 11.176 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.505 14.614 -4.275 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.410 13.541 -3.795 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.165 15.261 -3.870 1.00 0.00 H new ATOM 872 N ASP A 58 -6.435 9.355 -1.474 1.00 0.00 N ATOM 873 CA ASP A 58 -7.672 9.655 -0.710 1.00 0.00 C ATOM 874 C ASP A 58 -7.505 9.104 0.716 1.00 0.00 C ATOM 875 O ASP A 58 -7.059 7.974 0.866 1.00 0.00 O ATOM 876 CB ASP A 58 -8.924 9.024 -1.390 1.00 0.00 C ATOM 877 CG ASP A 58 -10.241 9.236 -0.614 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.934 10.249 -0.852 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.595 8.394 0.238 1.00 0.00 O ATOM 0 H ASP A 58 -5.741 8.854 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.827 10.734 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.032 9.446 -2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.756 7.954 -1.513 1.00 0.00 H new ATOM 884 N SER A 59 -7.905 9.892 1.733 1.00 0.00 N ATOM 885 CA SER A 59 -7.681 9.580 3.165 1.00 0.00 C ATOM 886 C SER A 59 -8.302 8.229 3.598 1.00 0.00 C ATOM 887 O SER A 59 -7.708 7.502 4.409 1.00 0.00 O ATOM 888 CB SER A 59 -8.241 10.732 4.033 1.00 0.00 C ATOM 889 OG SER A 59 -9.588 11.028 3.686 1.00 0.00 O ATOM 0 H SER A 59 -8.398 10.773 1.586 1.00 0.00 H new ATOM 0 HA SER A 59 -6.605 9.483 3.312 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.186 10.457 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.625 11.622 3.903 1.00 0.00 H new ATOM 0 HG SER A 59 -9.918 11.758 4.250 1.00 0.00 H new ATOM 895 N LEU A 60 -9.486 7.892 3.043 1.00 0.00 N ATOM 896 CA LEU A 60 -10.181 6.630 3.366 1.00 0.00 C ATOM 897 C LEU A 60 -9.404 5.446 2.759 1.00 0.00 C ATOM 898 O LEU A 60 -9.285 4.387 3.385 1.00 0.00 O ATOM 899 CB LEU A 60 -11.664 6.686 2.865 1.00 0.00 C ATOM 900 CG LEU A 60 -12.655 5.533 3.309 1.00 0.00 C ATOM 901 CD1 LEU A 60 -12.503 4.239 2.468 1.00 0.00 C ATOM 902 CD2 LEU A 60 -12.519 5.229 4.823 1.00 0.00 C ATOM 0 H LEU A 60 -9.980 8.477 2.369 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.214 6.489 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.090 7.634 3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.645 6.706 1.775 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.661 5.908 3.118 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.210 3.489 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.705 4.460 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.487 3.857 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.212 4.434 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.499 4.913 5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.751 6.126 5.397 1.00 0.00 H new ATOM 914 N VAL A 61 -8.864 5.651 1.542 1.00 0.00 N ATOM 915 CA VAL A 61 -8.079 4.621 0.834 1.00 0.00 C ATOM 916 C VAL A 61 -6.701 4.427 1.517 1.00 0.00 C ATOM 917 O VAL A 61 -6.157 3.322 1.504 1.00 0.00 O ATOM 918 CB VAL A 61 -7.882 4.947 -0.696 1.00 0.00 C ATOM 919 CG1 VAL A 61 -7.301 3.725 -1.439 1.00 0.00 C ATOM 920 CG2 VAL A 61 -9.203 5.399 -1.359 1.00 0.00 C ATOM 0 H VAL A 61 -8.958 6.526 1.026 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.651 3.695 0.893 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.175 5.774 -0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.172 3.968 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.336 3.461 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.985 2.882 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.026 5.614 -2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.945 4.605 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.571 6.297 -0.862 1.00 0.00 H new ATOM 930 N VAL A 62 -6.166 5.511 2.111 1.00 0.00 N ATOM 931 CA VAL A 62 -4.910 5.481 2.902 1.00 0.00 C ATOM 932 C VAL A 62 -5.129 4.704 4.221 1.00 0.00 C ATOM 933 O VAL A 62 -4.231 4.005 4.694 1.00 0.00 O ATOM 934 CB VAL A 62 -4.383 6.952 3.196 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.195 6.972 4.193 1.00 0.00 C ATOM 936 CG2 VAL A 62 -3.992 7.663 1.874 1.00 0.00 C ATOM 0 H VAL A 62 -6.590 6.437 2.059 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.148 4.967 2.316 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.203 7.494 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.875 8.001 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.508 6.533 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.366 6.396 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.634 8.669 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.204 7.098 1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.863 7.723 1.222 1.00 0.00 H new ATOM 946 N SER A 63 -6.344 4.827 4.785 1.00 0.00 N ATOM 947 CA SER A 63 -6.744 4.104 6.007 1.00 0.00 C ATOM 948 C SER A 63 -6.993 2.612 5.698 1.00 0.00 C ATOM 949 O SER A 63 -6.745 1.739 6.543 1.00 0.00 O ATOM 950 CB SER A 63 -8.004 4.756 6.617 1.00 0.00 C ATOM 951 OG SER A 63 -8.334 4.181 7.876 1.00 0.00 O ATOM 0 H SER A 63 -7.076 5.429 4.408 1.00 0.00 H new ATOM 0 HA SER A 63 -5.934 4.166 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.838 5.827 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.843 4.639 5.932 1.00 0.00 H new ATOM 0 HG SER A 63 -9.135 4.617 8.235 1.00 0.00 H new ATOM 957 N GLU A 64 -7.503 2.342 4.480 1.00 0.00 N ATOM 958 CA GLU A 64 -7.676 0.972 3.958 1.00 0.00 C ATOM 959 C GLU A 64 -6.296 0.335 3.717 1.00 0.00 C ATOM 960 O GLU A 64 -6.079 -0.844 4.010 1.00 0.00 O ATOM 961 CB GLU A 64 -8.503 0.991 2.634 1.00 0.00 C ATOM 962 CG GLU A 64 -8.787 -0.401 2.016 1.00 0.00 C ATOM 963 CD GLU A 64 -9.711 -1.273 2.893 1.00 0.00 C ATOM 964 OE1 GLU A 64 -9.217 -1.971 3.813 1.00 0.00 O ATOM 965 OE2 GLU A 64 -10.940 -1.264 2.668 1.00 0.00 O ATOM 0 H GLU A 64 -7.807 3.068 3.831 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.222 0.379 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.454 1.487 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.970 1.595 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.243 -0.271 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.843 -0.923 1.861 1.00 0.00 H new ATOM 972 N LEU A 65 -5.380 1.167 3.197 1.00 0.00 N ATOM 973 CA LEU A 65 -4.002 0.784 2.860 1.00 0.00 C ATOM 974 C LEU A 65 -3.235 0.362 4.120 1.00 0.00 C ATOM 975 O LEU A 65 -2.676 -0.723 4.157 1.00 0.00 O ATOM 976 CB LEU A 65 -3.294 1.973 2.149 1.00 0.00 C ATOM 977 CG LEU A 65 -1.787 1.795 1.783 1.00 0.00 C ATOM 978 CD1 LEU A 65 -1.562 0.596 0.836 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.214 3.098 1.179 1.00 0.00 C ATOM 0 H LEU A 65 -5.582 2.146 2.995 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.022 -0.070 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.840 2.191 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.384 2.851 2.789 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.248 1.579 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.500 0.508 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.906 -0.319 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.121 0.751 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.163 2.952 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.768 3.355 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.307 3.907 1.904 1.00 0.00 H new ATOM 991 N SER A 66 -3.262 1.227 5.154 1.00 0.00 N ATOM 992 CA SER A 66 -2.560 1.001 6.437 1.00 0.00 C ATOM 993 C SER A 66 -3.101 -0.247 7.161 1.00 0.00 C ATOM 994 O SER A 66 -2.335 -0.981 7.798 1.00 0.00 O ATOM 995 CB SER A 66 -2.690 2.253 7.336 1.00 0.00 C ATOM 996 OG SER A 66 -4.046 2.605 7.558 1.00 0.00 O ATOM 0 H SER A 66 -3.775 2.108 5.124 1.00 0.00 H new ATOM 0 HA SER A 66 -1.506 0.825 6.224 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.202 2.066 8.293 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.169 3.090 6.871 1.00 0.00 H new ATOM 0 HG SER A 66 -4.623 2.072 6.972 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.424 -0.467 7.046 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.098 -1.663 7.594 1.00 0.00 C ATOM 1004 C LEU A 67 -4.609 -2.947 6.880 1.00 0.00 C ATOM 1005 O LEU A 67 -4.362 -3.972 7.525 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.636 -1.502 7.470 1.00 0.00 C ATOM 1007 CG LEU A 67 -7.507 -2.683 8.022 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.182 -2.994 9.507 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -9.013 -2.388 7.839 1.00 0.00 C ATOM 0 H LEU A 67 -5.057 0.177 6.572 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.844 -1.760 8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.927 -0.590 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.881 -1.360 6.417 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.257 -3.571 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.807 -3.818 9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.132 -3.272 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.379 -2.111 10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.597 -3.221 8.229 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.274 -1.478 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.232 -2.256 6.779 1.00 0.00 H new ATOM 1021 N LYS A 68 -4.460 -2.861 5.551 1.00 0.00 N ATOM 1022 CA LYS A 68 -3.958 -3.971 4.719 1.00 0.00 C ATOM 1023 C LYS A 68 -2.462 -4.244 4.992 1.00 0.00 C ATOM 1024 O LYS A 68 -2.038 -5.395 4.983 1.00 0.00 O ATOM 1025 CB LYS A 68 -4.187 -3.668 3.219 1.00 0.00 C ATOM 1026 CG LYS A 68 -5.651 -3.779 2.731 1.00 0.00 C ATOM 1027 CD LYS A 68 -6.191 -5.233 2.789 1.00 0.00 C ATOM 1028 CE LYS A 68 -7.596 -5.364 2.186 1.00 0.00 C ATOM 1029 NZ LYS A 68 -8.595 -4.559 2.930 1.00 0.00 N ATOM 0 H LYS A 68 -4.684 -2.020 5.019 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.516 -4.869 4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.829 -2.660 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.574 -4.351 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.284 -3.136 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.718 -3.411 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.507 -5.892 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.212 -5.568 3.826 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.575 -5.044 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.897 -6.412 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.537 -4.701 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.610 -4.858 3.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.340 -3.552 2.875 1.00 0.00 H new ATOM 1043 N LEU A 69 -1.679 -3.180 5.250 1.00 0.00 N ATOM 1044 CA LEU A 69 -0.241 -3.301 5.583 1.00 0.00 C ATOM 1045 C LEU A 69 -0.072 -3.979 6.960 1.00 0.00 C ATOM 1046 O LEU A 69 0.888 -4.709 7.186 1.00 0.00 O ATOM 1047 CB LEU A 69 0.454 -1.906 5.571 1.00 0.00 C ATOM 1048 CG LEU A 69 0.452 -1.124 4.214 1.00 0.00 C ATOM 1049 CD1 LEU A 69 1.176 0.241 4.340 1.00 0.00 C ATOM 1050 CD2 LEU A 69 1.029 -1.967 3.052 1.00 0.00 C ATOM 0 H LEU A 69 -2.018 -2.218 5.235 1.00 0.00 H new ATOM 0 HA LEU A 69 0.237 -3.920 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.027 -1.281 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.490 -2.040 5.883 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.591 -0.921 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.154 0.754 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.673 0.852 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.211 0.078 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.007 -1.382 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.058 -2.245 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.429 -2.868 2.924 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.047 -3.711 7.853 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.144 -4.312 9.204 1.00 0.00 C ATOM 1064 C ARG A 70 -1.377 -5.838 9.124 1.00 0.00 C ATOM 1065 O ARG A 70 -0.955 -6.583 10.018 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.281 -3.571 9.999 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.654 -4.110 11.418 1.00 0.00 C ATOM 1068 CD ARG A 70 -3.724 -5.221 11.398 1.00 0.00 C ATOM 1069 NE ARG A 70 -4.030 -5.730 12.751 1.00 0.00 N ATOM 1070 CZ ARG A 70 -3.691 -6.940 13.228 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -2.989 -7.797 12.487 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -4.048 -7.289 14.458 1.00 0.00 N ATOM 0 H ARG A 70 -1.805 -3.058 7.653 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.202 -4.183 9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.988 -2.526 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.183 -3.589 9.387 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.754 -4.493 11.899 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.014 -3.282 12.028 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.636 -4.836 10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.378 -6.044 10.772 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.543 -5.109 13.377 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.701 -7.538 11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.740 -8.712 12.864 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.578 -6.640 15.039 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.792 -8.207 14.822 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.065 -6.290 8.062 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.442 -7.709 7.889 1.00 0.00 C ATOM 1088 C LYS A 71 -1.394 -8.470 7.051 1.00 0.00 C ATOM 1089 O LYS A 71 -0.763 -9.421 7.535 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.853 -7.799 7.236 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.965 -7.095 8.048 1.00 0.00 C ATOM 1092 CD LYS A 71 -6.366 -7.215 7.400 1.00 0.00 C ATOM 1093 CE LYS A 71 -6.876 -8.670 7.347 1.00 0.00 C ATOM 1094 NZ LYS A 71 -6.972 -9.279 8.701 1.00 0.00 N ATOM 0 H LYS A 71 -2.376 -5.687 7.300 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.475 -8.183 8.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.810 -7.359 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.118 -8.849 7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.998 -7.521 9.051 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.712 -6.040 8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.075 -6.606 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.330 -6.810 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.855 -8.693 6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.205 -9.266 6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.474 -10.188 8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.016 -9.437 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.493 -8.639 9.333 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.223 -8.026 5.796 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.325 -8.650 4.795 1.00 0.00 C ATOM 1110 C GLU A 72 1.147 -8.631 5.247 1.00 0.00 C ATOM 1111 O GLU A 72 1.843 -9.650 5.178 1.00 0.00 O ATOM 1112 CB GLU A 72 -0.469 -7.904 3.432 1.00 0.00 C ATOM 1113 CG GLU A 72 -1.887 -7.925 2.819 1.00 0.00 C ATOM 1114 CD GLU A 72 -2.265 -9.275 2.183 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -2.689 -10.196 2.911 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -2.129 -9.421 0.950 1.00 0.00 O ATOM 0 H GLU A 72 -1.712 -7.207 5.435 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.620 -9.694 4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.165 -6.866 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.225 -8.347 2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.613 -7.683 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.958 -7.144 2.062 1.00 0.00 H new ATOM 1123 N PHE A 73 1.610 -7.457 5.714 1.00 0.00 N ATOM 1124 CA PHE A 73 3.036 -7.225 6.040 1.00 0.00 C ATOM 1125 C PHE A 73 3.265 -7.124 7.563 1.00 0.00 C ATOM 1126 O PHE A 73 4.393 -7.275 8.034 1.00 0.00 O ATOM 1127 CB PHE A 73 3.525 -5.939 5.319 1.00 0.00 C ATOM 1128 CG PHE A 73 3.332 -5.993 3.797 1.00 0.00 C ATOM 1129 CD1 PHE A 73 4.236 -6.676 2.984 1.00 0.00 C ATOM 1130 CD2 PHE A 73 2.233 -5.378 3.188 1.00 0.00 C ATOM 1131 CE1 PHE A 73 4.045 -6.749 1.616 1.00 0.00 C ATOM 1132 CE2 PHE A 73 2.046 -5.451 1.818 1.00 0.00 C ATOM 1133 CZ PHE A 73 2.956 -6.132 1.033 1.00 0.00 C ATOM 0 H PHE A 73 1.014 -6.645 5.876 1.00 0.00 H new ATOM 0 HA PHE A 73 3.615 -8.079 5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.987 -5.079 5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.581 -5.785 5.540 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.096 -7.154 3.428 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.521 -4.839 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.750 -7.290 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.189 -4.976 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.816 -6.182 -0.037 1.00 0.00 H new ATOM 1143 N GLY A 74 2.182 -6.862 8.321 1.00 0.00 N ATOM 1144 CA GLY A 74 2.262 -6.649 9.776 1.00 0.00 C ATOM 1145 C GLY A 74 2.596 -5.204 10.158 1.00 0.00 C ATOM 1146 O GLY A 74 2.431 -4.815 11.324 1.00 0.00 O ATOM 0 H GLY A 74 1.237 -6.793 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.311 -6.927 10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.020 -7.312 10.192 1.00 0.00 H new ATOM 1150 N VAL A 75 3.040 -4.411 9.163 1.00 0.00 N ATOM 1151 CA VAL A 75 3.526 -3.039 9.367 1.00 0.00 C ATOM 1152 C VAL A 75 2.316 -2.089 9.526 1.00 0.00 C ATOM 1153 O VAL A 75 1.670 -1.719 8.540 1.00 0.00 O ATOM 1154 CB VAL A 75 4.469 -2.588 8.175 1.00 0.00 C ATOM 1155 CG1 VAL A 75 5.138 -1.227 8.462 1.00 0.00 C ATOM 1156 CG2 VAL A 75 5.535 -3.673 7.858 1.00 0.00 C ATOM 0 H VAL A 75 3.070 -4.711 8.188 1.00 0.00 H new ATOM 0 HA VAL A 75 4.125 -2.999 10.277 1.00 0.00 H new ATOM 0 HB VAL A 75 3.839 -2.467 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.777 -0.951 7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.370 -0.466 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.741 -1.301 9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.166 -3.334 7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.151 -3.847 8.740 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.037 -4.600 7.574 1.00 0.00 H new ATOM 1166 N THR A 76 2.008 -1.736 10.784 1.00 0.00 N ATOM 1167 CA THR A 76 0.771 -1.030 11.158 1.00 0.00 C ATOM 1168 C THR A 76 0.955 0.501 11.131 1.00 0.00 C ATOM 1169 O THR A 76 2.008 1.016 11.534 1.00 0.00 O ATOM 1170 CB THR A 76 0.319 -1.485 12.585 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.213 -2.921 12.605 1.00 0.00 O ATOM 1172 CG2 THR A 76 -1.031 -0.872 13.010 1.00 0.00 C ATOM 0 H THR A 76 2.616 -1.934 11.578 1.00 0.00 H new ATOM 0 HA THR A 76 0.005 -1.284 10.426 1.00 0.00 H new ATOM 0 HB THR A 76 1.070 -1.134 13.293 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.068 -3.216 13.496 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.292 -1.224 14.008 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.951 0.215 13.018 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.806 -1.173 12.305 1.00 0.00 H new ATOM 1180 N GLY A 77 -0.093 1.206 10.659 1.00 0.00 N ATOM 1181 CA GLY A 77 -0.132 2.661 10.682 1.00 0.00 C ATOM 1182 C GLY A 77 0.655 3.264 9.535 1.00 0.00 C ATOM 1183 O GLY A 77 0.219 3.182 8.390 1.00 0.00 O ATOM 0 H GLY A 77 -0.925 0.775 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.167 2.998 10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.272 3.020 11.628 1.00 0.00 H new ATOM 1187 N VAL A 78 1.833 3.859 9.858 1.00 0.00 N ATOM 1188 CA VAL A 78 2.779 4.468 8.879 1.00 0.00 C ATOM 1189 C VAL A 78 2.129 5.696 8.167 1.00 0.00 C ATOM 1190 O VAL A 78 2.668 6.223 7.198 1.00 0.00 O ATOM 1191 CB VAL A 78 3.327 3.400 7.817 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.580 3.904 7.074 1.00 0.00 C ATOM 1193 CG2 VAL A 78 3.616 2.033 8.473 1.00 0.00 C ATOM 0 H VAL A 78 2.160 3.931 10.822 1.00 0.00 H new ATOM 0 HA VAL A 78 3.643 4.819 9.443 1.00 0.00 H new ATOM 0 HB VAL A 78 2.531 3.270 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.913 3.145 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.340 4.821 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.374 4.102 7.793 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.985 1.338 7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.368 2.155 9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.699 1.639 8.911 1.00 0.00 H new ATOM 1203 N ASP A 79 1.013 6.193 8.738 1.00 0.00 N ATOM 1204 CA ASP A 79 0.083 7.146 8.081 1.00 0.00 C ATOM 1205 C ASP A 79 0.753 8.472 7.669 1.00 0.00 C ATOM 1206 O ASP A 79 0.317 9.112 6.705 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.119 7.441 9.011 1.00 0.00 C ATOM 1208 CG ASP A 79 -1.876 6.175 9.459 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -2.643 5.603 8.654 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -1.704 5.747 10.625 1.00 0.00 O ATOM 0 H ASP A 79 0.724 5.942 9.684 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.253 6.663 7.164 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.763 7.973 9.893 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.812 8.106 8.496 1.00 0.00 H new ATOM 1215 N ASP A 80 1.808 8.864 8.411 1.00 0.00 N ATOM 1216 CA ASP A 80 2.622 10.049 8.091 1.00 0.00 C ATOM 1217 C ASP A 80 3.322 9.864 6.737 1.00 0.00 C ATOM 1218 O ASP A 80 3.195 10.706 5.847 1.00 0.00 O ATOM 1219 CB ASP A 80 3.666 10.327 9.204 1.00 0.00 C ATOM 1220 CG ASP A 80 3.035 10.796 10.519 1.00 0.00 C ATOM 1221 OD1 ASP A 80 2.759 12.005 10.658 1.00 0.00 O ATOM 1222 OD2 ASP A 80 2.801 9.968 11.422 1.00 0.00 O ATOM 0 H ASP A 80 2.117 8.368 9.247 1.00 0.00 H new ATOM 0 HA ASP A 80 1.957 10.910 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.242 9.420 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.367 11.085 8.854 1.00 0.00 H new ATOM 1227 N GLU A 81 4.011 8.726 6.582 1.00 0.00 N ATOM 1228 CA GLU A 81 4.728 8.386 5.339 1.00 0.00 C ATOM 1229 C GLU A 81 3.721 8.106 4.204 1.00 0.00 C ATOM 1230 O GLU A 81 3.993 8.397 3.035 1.00 0.00 O ATOM 1231 CB GLU A 81 5.671 7.165 5.544 1.00 0.00 C ATOM 1232 CG GLU A 81 6.867 7.369 6.512 1.00 0.00 C ATOM 1233 CD GLU A 81 6.456 7.572 7.983 1.00 0.00 C ATOM 1234 OE1 GLU A 81 6.021 6.596 8.627 1.00 0.00 O ATOM 1235 OE2 GLU A 81 6.561 8.703 8.498 1.00 0.00 O ATOM 0 H GLU A 81 4.089 8.015 7.310 1.00 0.00 H new ATOM 0 HA GLU A 81 5.347 9.240 5.062 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.074 6.330 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.066 6.871 4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.526 6.503 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.443 8.234 6.184 1.00 0.00 H new ATOM 1242 N LEU A 82 2.547 7.564 4.576 1.00 0.00 N ATOM 1243 CA LEU A 82 1.459 7.257 3.626 1.00 0.00 C ATOM 1244 C LEU A 82 0.757 8.544 3.141 1.00 0.00 C ATOM 1245 O LEU A 82 0.061 8.533 2.124 1.00 0.00 O ATOM 1246 CB LEU A 82 0.441 6.270 4.256 1.00 0.00 C ATOM 1247 CG LEU A 82 1.000 4.870 4.681 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.108 3.991 5.295 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.693 4.140 3.509 1.00 0.00 C ATOM 0 H LEU A 82 2.325 7.326 5.543 1.00 0.00 H new ATOM 0 HA LEU A 82 1.902 6.776 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.004 6.744 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.368 6.113 3.543 1.00 0.00 H new ATOM 0 HG LEU A 82 1.757 5.050 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.310 3.026 5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.517 4.484 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.901 3.841 4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.065 3.174 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.977 3.988 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.526 4.742 3.147 1.00 0.00 H new ATOM 1261 N ASP A 83 0.949 9.648 3.891 1.00 0.00 N ATOM 1262 CA ASP A 83 0.542 11.004 3.464 1.00 0.00 C ATOM 1263 C ASP A 83 1.571 11.560 2.454 1.00 0.00 C ATOM 1264 O ASP A 83 1.206 12.256 1.504 1.00 0.00 O ATOM 1265 CB ASP A 83 0.402 11.948 4.692 1.00 0.00 C ATOM 1266 CG ASP A 83 0.146 13.426 4.318 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -0.960 13.738 3.823 1.00 0.00 O ATOM 1268 OD2 ASP A 83 1.060 14.275 4.492 1.00 0.00 O ATOM 0 H ASP A 83 1.391 9.626 4.810 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.432 10.947 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.417 11.595 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.311 11.887 5.291 1.00 0.00 H new ATOM 1273 N LEU A 84 2.860 11.224 2.673 1.00 0.00 N ATOM 1274 CA LEU A 84 3.975 11.599 1.760 1.00 0.00 C ATOM 1275 C LEU A 84 3.990 10.750 0.461 1.00 0.00 C ATOM 1276 O LEU A 84 4.885 10.921 -0.379 1.00 0.00 O ATOM 1277 CB LEU A 84 5.357 11.522 2.496 1.00 0.00 C ATOM 1278 CG LEU A 84 5.776 12.781 3.332 1.00 0.00 C ATOM 1279 CD1 LEU A 84 5.896 14.030 2.427 1.00 0.00 C ATOM 1280 CD2 LEU A 84 4.815 13.039 4.514 1.00 0.00 C ATOM 0 H LEU A 84 3.163 10.686 3.485 1.00 0.00 H new ATOM 0 HA LEU A 84 3.801 12.633 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.341 10.660 3.163 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.130 11.334 1.751 1.00 0.00 H new ATOM 0 HG LEU A 84 6.757 12.574 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.188 14.890 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.650 13.852 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.935 14.229 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.144 13.920 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.807 13.204 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.815 12.175 5.178 1.00 0.00 H new ATOM 1292 N LEU A 85 3.005 9.847 0.308 1.00 0.00 N ATOM 1293 CA LEU A 85 2.797 9.091 -0.936 1.00 0.00 C ATOM 1294 C LEU A 85 2.285 9.980 -2.067 1.00 0.00 C ATOM 1295 O LEU A 85 1.441 10.853 -1.846 1.00 0.00 O ATOM 1296 CB LEU A 85 1.790 7.937 -0.715 1.00 0.00 C ATOM 1297 CG LEU A 85 2.354 6.694 0.011 1.00 0.00 C ATOM 1298 CD1 LEU A 85 1.244 5.657 0.265 1.00 0.00 C ATOM 1299 CD2 LEU A 85 3.534 6.091 -0.785 1.00 0.00 C ATOM 0 H LEU A 85 2.333 9.623 1.042 1.00 0.00 H new ATOM 0 HA LEU A 85 3.769 8.688 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.945 8.319 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.402 7.625 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 85 2.737 7.002 0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.665 4.791 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.465 6.102 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.815 5.343 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.919 5.217 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.191 5.796 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.326 6.834 -0.881 1.00 0.00 H new ATOM 1311 N GLU A 86 2.803 9.715 -3.270 1.00 0.00 N ATOM 1312 CA GLU A 86 2.306 10.298 -4.521 1.00 0.00 C ATOM 1313 C GLU A 86 2.215 9.179 -5.569 1.00 0.00 C ATOM 1314 O GLU A 86 1.180 8.998 -6.207 1.00 0.00 O ATOM 1315 CB GLU A 86 3.241 11.437 -5.003 1.00 0.00 C ATOM 1316 CG GLU A 86 2.778 12.156 -6.286 1.00 0.00 C ATOM 1317 CD GLU A 86 3.746 13.265 -6.715 1.00 0.00 C ATOM 1318 OE1 GLU A 86 3.605 14.416 -6.249 1.00 0.00 O ATOM 1319 OE2 GLU A 86 4.675 12.985 -7.500 1.00 0.00 O ATOM 0 H GLU A 86 3.590 9.081 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 86 1.320 10.735 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.335 12.173 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.235 11.024 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.682 11.429 -7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.789 12.584 -6.123 1.00 0.00 H new ATOM 1326 N THR A 87 3.319 8.422 -5.732 1.00 0.00 N ATOM 1327 CA THR A 87 3.376 7.265 -6.647 1.00 0.00 C ATOM 1328 C THR A 87 3.278 5.945 -5.861 1.00 0.00 C ATOM 1329 O THR A 87 3.705 5.858 -4.699 1.00 0.00 O ATOM 1330 CB THR A 87 4.692 7.278 -7.503 1.00 0.00 C ATOM 1331 OG1 THR A 87 5.831 7.249 -6.634 1.00 0.00 O ATOM 1332 CG2 THR A 87 4.767 8.519 -8.418 1.00 0.00 C ATOM 0 H THR A 87 4.193 8.595 -5.235 1.00 0.00 H new ATOM 0 HA THR A 87 2.525 7.341 -7.324 1.00 0.00 H new ATOM 0 HB THR A 87 4.686 6.394 -8.140 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.652 7.255 -7.170 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.692 8.491 -8.994 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.916 8.521 -9.099 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.746 9.422 -7.808 1.00 0.00 H new ATOM 1340 N VAL A 88 2.690 4.916 -6.498 1.00 0.00 N ATOM 1341 CA VAL A 88 2.680 3.546 -5.953 1.00 0.00 C ATOM 1342 C VAL A 88 4.105 2.955 -5.943 1.00 0.00 C ATOM 1343 O VAL A 88 4.404 2.122 -5.103 1.00 0.00 O ATOM 1344 CB VAL A 88 1.665 2.602 -6.715 1.00 0.00 C ATOM 1345 CG1 VAL A 88 0.198 2.884 -6.302 1.00 0.00 C ATOM 1346 CG2 VAL A 88 1.828 2.731 -8.227 1.00 0.00 C ATOM 0 H VAL A 88 2.213 5.008 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 88 2.328 3.608 -4.923 1.00 0.00 H new ATOM 0 HB VAL A 88 1.900 1.577 -6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.468 2.216 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.083 2.717 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.054 3.918 -6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.119 2.072 -8.727 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.639 3.762 -8.527 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.843 2.452 -8.509 1.00 0.00 H new ATOM 1356 N ASP A 89 4.974 3.437 -6.861 1.00 0.00 N ATOM 1357 CA ASP A 89 6.432 3.144 -6.852 1.00 0.00 C ATOM 1358 C ASP A 89 7.052 3.536 -5.502 1.00 0.00 C ATOM 1359 O ASP A 89 7.824 2.771 -4.914 1.00 0.00 O ATOM 1360 CB ASP A 89 7.128 3.918 -8.003 1.00 0.00 C ATOM 1361 CG ASP A 89 8.657 3.729 -8.034 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.126 2.686 -8.543 1.00 0.00 O ATOM 1363 OD2 ASP A 89 9.399 4.623 -7.552 1.00 0.00 O ATOM 0 H ASP A 89 4.687 4.041 -7.631 1.00 0.00 H new ATOM 0 HA ASP A 89 6.576 2.074 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.710 3.591 -8.955 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.903 4.980 -7.904 1.00 0.00 H new ATOM 1368 N GLU A 90 6.676 4.744 -5.035 1.00 0.00 N ATOM 1369 CA GLU A 90 7.093 5.272 -3.731 1.00 0.00 C ATOM 1370 C GLU A 90 6.636 4.322 -2.612 1.00 0.00 C ATOM 1371 O GLU A 90 7.381 4.070 -1.681 1.00 0.00 O ATOM 1372 CB GLU A 90 6.499 6.690 -3.495 1.00 0.00 C ATOM 1373 CG GLU A 90 7.073 7.440 -2.270 1.00 0.00 C ATOM 1374 CD GLU A 90 8.538 7.875 -2.470 1.00 0.00 C ATOM 1375 OE1 GLU A 90 8.767 8.930 -3.115 1.00 0.00 O ATOM 1376 OE2 GLU A 90 9.462 7.162 -2.025 1.00 0.00 O ATOM 0 H GLU A 90 6.072 5.379 -5.558 1.00 0.00 H new ATOM 0 HA GLU A 90 8.180 5.347 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.672 7.293 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.419 6.601 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.462 8.320 -2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.006 6.798 -1.392 1.00 0.00 H new ATOM 1383 N LEU A 91 5.394 3.794 -2.750 1.00 0.00 N ATOM 1384 CA LEU A 91 4.786 2.855 -1.774 1.00 0.00 C ATOM 1385 C LEU A 91 5.526 1.507 -1.717 1.00 0.00 C ATOM 1386 O LEU A 91 5.690 0.948 -0.633 1.00 0.00 O ATOM 1387 CB LEU A 91 3.287 2.642 -2.093 1.00 0.00 C ATOM 1388 CG LEU A 91 2.497 1.710 -1.124 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.572 2.196 0.346 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.035 1.570 -1.593 1.00 0.00 C ATOM 0 H LEU A 91 4.786 4.007 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 91 4.879 3.310 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.798 3.616 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.207 2.234 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 91 2.968 0.727 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.007 1.516 0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.613 2.217 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.149 3.198 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.494 0.917 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.562 2.552 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.014 1.142 -2.595 1.00 0.00 H new ATOM 1402 N PHE A 92 5.967 0.989 -2.880 1.00 0.00 N ATOM 1403 CA PHE A 92 6.764 -0.259 -2.946 1.00 0.00 C ATOM 1404 C PHE A 92 8.100 -0.075 -2.186 1.00 0.00 C ATOM 1405 O PHE A 92 8.558 -0.987 -1.490 1.00 0.00 O ATOM 1406 CB PHE A 92 7.006 -0.705 -4.423 1.00 0.00 C ATOM 1407 CG PHE A 92 5.760 -1.284 -5.123 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.276 -2.545 -4.776 1.00 0.00 C ATOM 1409 CD2 PHE A 92 5.073 -0.575 -6.110 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.152 -3.072 -5.388 1.00 0.00 C ATOM 1411 CE2 PHE A 92 3.950 -1.104 -6.723 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.488 -2.353 -6.359 1.00 0.00 C ATOM 0 H PHE A 92 5.786 1.414 -3.790 1.00 0.00 H new ATOM 0 HA PHE A 92 6.198 -1.055 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.365 0.151 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.798 -1.454 -4.439 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.787 -3.120 -4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.424 0.404 -6.401 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.794 -4.050 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE A 92 3.435 -0.539 -7.486 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.610 -2.765 -6.833 1.00 0.00 H new ATOM 1422 N GLN A 93 8.676 1.144 -2.293 1.00 0.00 N ATOM 1423 CA GLN A 93 9.944 1.518 -1.618 1.00 0.00 C ATOM 1424 C GLN A 93 9.721 1.951 -0.150 1.00 0.00 C ATOM 1425 O GLN A 93 10.650 1.891 0.662 1.00 0.00 O ATOM 1426 CB GLN A 93 10.649 2.651 -2.414 1.00 0.00 C ATOM 1427 CG GLN A 93 10.988 2.313 -3.888 1.00 0.00 C ATOM 1428 CD GLN A 93 12.188 1.363 -4.121 1.00 0.00 C ATOM 1429 OE1 GLN A 93 12.455 0.401 -3.245 1.00 0.00 O flip ATOM 1430 NE2 GLN A 93 12.859 1.479 -5.136 1.00 0.00 N flip ATOM 0 H GLN A 93 8.276 1.899 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 93 10.580 0.633 -1.597 1.00 0.00 H new ATOM 0 HB2 GLN A 93 10.011 3.535 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.572 2.915 -1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.106 1.867 -4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.185 3.246 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 93 12.649 2.220 -5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.629 0.835 -5.314 1.00 0.00 H new ATOM 1439 N LEU A 94 8.490 2.391 0.160 1.00 0.00 N ATOM 1440 CA LEU A 94 8.093 2.854 1.502 1.00 0.00 C ATOM 1441 C LEU A 94 7.942 1.632 2.408 1.00 0.00 C ATOM 1442 O LEU A 94 8.532 1.568 3.491 1.00 0.00 O ATOM 1443 CB LEU A 94 6.752 3.663 1.406 1.00 0.00 C ATOM 1444 CG LEU A 94 6.276 4.475 2.665 1.00 0.00 C ATOM 1445 CD1 LEU A 94 5.114 5.409 2.298 1.00 0.00 C ATOM 1446 CD2 LEU A 94 5.850 3.581 3.852 1.00 0.00 C ATOM 0 H LEU A 94 7.733 2.436 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 94 8.850 3.516 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.845 4.363 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.960 2.962 1.144 1.00 0.00 H new ATOM 0 HG LEU A 94 7.142 5.053 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.799 5.962 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.439 6.109 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.278 4.819 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.534 4.209 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.023 2.940 3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.692 2.963 4.163 1.00 0.00 H new ATOM 1458 N VAL A 95 7.097 0.689 1.963 1.00 0.00 N ATOM 1459 CA VAL A 95 6.859 -0.565 2.679 1.00 0.00 C ATOM 1460 C VAL A 95 8.178 -1.334 2.791 1.00 0.00 C ATOM 1461 O VAL A 95 8.448 -1.910 3.830 1.00 0.00 O ATOM 1462 CB VAL A 95 5.742 -1.439 1.991 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.530 -2.799 2.712 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.419 -0.639 1.921 1.00 0.00 C ATOM 0 H VAL A 95 6.563 0.778 1.099 1.00 0.00 H new ATOM 0 HA VAL A 95 6.489 -0.331 3.677 1.00 0.00 H new ATOM 0 HB VAL A 95 6.076 -1.671 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 95 4.751 -3.364 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.460 -3.367 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.230 -2.621 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.650 -1.248 1.445 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.100 -0.375 2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.574 0.270 1.340 1.00 0.00 H new ATOM 1474 N GLU A 96 9.012 -1.268 1.722 1.00 0.00 N ATOM 1475 CA GLU A 96 10.383 -1.827 1.725 1.00 0.00 C ATOM 1476 C GLU A 96 11.234 -1.214 2.857 1.00 0.00 C ATOM 1477 O GLU A 96 11.900 -1.935 3.581 1.00 0.00 O ATOM 1478 CB GLU A 96 11.081 -1.593 0.348 1.00 0.00 C ATOM 1479 CG GLU A 96 12.501 -2.198 0.225 1.00 0.00 C ATOM 1480 CD GLU A 96 12.512 -3.732 0.374 1.00 0.00 C ATOM 1481 OE1 GLU A 96 12.333 -4.438 -0.641 1.00 0.00 O ATOM 1482 OE2 GLU A 96 12.685 -4.246 1.506 1.00 0.00 O ATOM 0 H GLU A 96 8.752 -0.828 0.839 1.00 0.00 H new ATOM 0 HA GLU A 96 10.299 -2.900 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.453 -2.014 -0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.142 -0.520 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 96 12.923 -1.929 -0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.145 -1.759 0.987 1.00 0.00 H new ATOM 1489 N LYS A 97 11.163 0.119 2.996 1.00 0.00 N ATOM 1490 CA LYS A 97 11.962 0.894 3.981 1.00 0.00 C ATOM 1491 C LYS A 97 11.697 0.399 5.427 1.00 0.00 C ATOM 1492 O LYS A 97 12.629 0.104 6.195 1.00 0.00 O ATOM 1493 CB LYS A 97 11.622 2.411 3.837 1.00 0.00 C ATOM 1494 CG LYS A 97 12.517 3.391 4.630 1.00 0.00 C ATOM 1495 CD LYS A 97 13.973 3.414 4.113 1.00 0.00 C ATOM 1496 CE LYS A 97 14.812 4.517 4.778 1.00 0.00 C ATOM 1497 NZ LYS A 97 16.237 4.461 4.357 1.00 0.00 N ATOM 0 H LYS A 97 10.548 0.701 2.428 1.00 0.00 H new ATOM 0 HA LYS A 97 13.022 0.744 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.677 2.675 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.589 2.561 4.150 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.096 4.395 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.513 3.110 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.437 2.446 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.970 3.564 3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.397 5.492 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.750 4.417 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.768 5.221 4.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.641 3.540 4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.299 4.582 3.326 1.00 0.00 H new ATOM 1511 N HIS A 98 10.401 0.267 5.755 1.00 0.00 N ATOM 1512 CA HIS A 98 9.929 -0.070 7.120 1.00 0.00 C ATOM 1513 C HIS A 98 9.991 -1.588 7.384 1.00 0.00 C ATOM 1514 O HIS A 98 10.255 -2.005 8.517 1.00 0.00 O ATOM 1515 CB HIS A 98 8.485 0.465 7.336 1.00 0.00 C ATOM 1516 CG HIS A 98 8.387 1.975 7.373 1.00 0.00 C ATOM 1517 ND1 HIS A 98 8.094 2.680 8.518 1.00 0.00 N ATOM 1518 CD2 HIS A 98 8.556 2.909 6.403 1.00 0.00 C ATOM 1519 CE1 HIS A 98 8.081 3.967 8.251 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.357 4.133 6.976 1.00 0.00 N ATOM 0 H HIS A 98 9.644 0.390 5.083 1.00 0.00 H new ATOM 0 HA HIS A 98 10.596 0.413 7.834 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.846 0.089 6.537 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.096 0.063 8.271 1.00 0.00 H new ATOM 0 HD1 HIS A 98 7.914 2.267 9.433 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.802 2.720 5.369 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.878 4.756 8.960 1.00 0.00 H new ATOM 1529 N ARG A 99 9.749 -2.402 6.335 1.00 0.00 N ATOM 1530 CA ARG A 99 9.695 -3.881 6.451 1.00 0.00 C ATOM 1531 C ARG A 99 11.127 -4.434 6.569 1.00 0.00 C ATOM 1532 O ARG A 99 11.370 -5.344 7.368 1.00 0.00 O ATOM 1533 CB ARG A 99 8.919 -4.494 5.230 1.00 0.00 C ATOM 1534 CG ARG A 99 8.582 -6.014 5.294 1.00 0.00 C ATOM 1535 CD ARG A 99 9.734 -6.921 4.823 1.00 0.00 C ATOM 1536 NE ARG A 99 9.424 -8.353 4.967 1.00 0.00 N ATOM 1537 CZ ARG A 99 10.318 -9.350 4.845 1.00 0.00 C ATOM 1538 NH1 ARG A 99 11.612 -9.093 4.649 1.00 0.00 N ATOM 1539 NH2 ARG A 99 9.923 -10.605 4.944 1.00 0.00 N ATOM 0 H ARG A 99 9.586 -2.059 5.388 1.00 0.00 H new ATOM 0 HA ARG A 99 9.149 -4.166 7.350 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.985 -3.945 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.508 -4.316 4.331 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.320 -6.277 6.319 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.703 -6.209 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.957 -6.705 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 99 10.632 -6.688 5.396 1.00 0.00 H new ATOM 0 HE ARG A 99 8.459 -8.608 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.937 -8.128 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.277 -9.861 4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.940 -10.818 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 99 10.601 -11.362 4.852 1.00 0.00 H new ATOM 1553 N ALA A 100 12.055 -3.883 5.761 1.00 0.00 N ATOM 1554 CA ALA A 100 13.487 -4.231 5.822 1.00 0.00 C ATOM 1555 C ALA A 100 14.055 -3.898 7.202 1.00 0.00 C ATOM 1556 O ALA A 100 14.644 -4.767 7.853 1.00 0.00 O ATOM 1557 CB ALA A 100 14.278 -3.504 4.722 1.00 0.00 C ATOM 0 H ALA A 100 11.833 -3.186 5.050 1.00 0.00 H new ATOM 0 HA ALA A 100 13.585 -5.303 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.331 -3.778 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.890 -3.791 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.175 -2.427 4.851 1.00 0.00 H new ATOM 1563 N ALA A 101 13.861 -2.624 7.619 1.00 0.00 N ATOM 1564 CA ALA A 101 14.209 -2.113 8.967 1.00 0.00 C ATOM 1565 C ALA A 101 15.736 -2.114 9.249 1.00 0.00 C ATOM 1566 O ALA A 101 16.505 -2.879 8.658 1.00 0.00 O ATOM 1567 CB ALA A 101 13.434 -2.869 10.065 1.00 0.00 C ATOM 0 H ALA A 101 13.451 -1.910 7.017 1.00 0.00 H new ATOM 0 HA ALA A 101 13.901 -1.068 8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.709 -2.473 11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.363 -2.739 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.681 -3.930 10.020 1.00 0.00 H new ATOM 1573 N GLY A 102 16.150 -1.251 10.183 1.00 0.00 N ATOM 1574 CA GLY A 102 17.570 -1.036 10.502 1.00 0.00 C ATOM 1575 C GLY A 102 18.029 0.355 10.100 1.00 0.00 C ATOM 1576 O GLY A 102 18.998 0.888 10.654 1.00 0.00 O ATOM 0 H GLY A 102 15.513 -0.681 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 102 17.729 -1.177 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 102 18.176 -1.782 9.988 1.00 0.00 H new ATOM 1580 N SER A 103 17.340 0.931 9.108 1.00 0.00 N ATOM 1581 CA SER A 103 17.538 2.310 8.654 1.00 0.00 C ATOM 1582 C SER A 103 16.141 2.926 8.396 1.00 0.00 C ATOM 1583 O SER A 103 15.548 2.657 7.335 1.00 0.00 O ATOM 1584 CB SER A 103 18.437 2.336 7.386 1.00 0.00 C ATOM 1585 OG SER A 103 19.717 1.773 7.656 1.00 0.00 O ATOM 1586 OXT SER A 103 15.616 3.622 9.290 1.00 0.00 O ATOM 0 H SER A 103 16.613 0.439 8.588 1.00 0.00 H new ATOM 0 HA SER A 103 18.054 2.902 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.954 1.781 6.582 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.553 3.363 7.039 1.00 0.00 H new ATOM 0 HG SER A 103 20.264 1.799 6.843 1.00 0.00 H new TER 1592 SER A 103