USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 981 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Set 2.1: A 55 CYS SG : rot 46:sc= 1.1 USER MOD Set 2.2: A 69 HIS :FLIP no HE2:sc= -1.67 F(o=-1.7,f=-0.56) USER MOD Set 3.1: A 43 MET CE :methyl 148:sc= -0.436 (180deg=-0.688) USER MOD Set 3.2: A 59 GLN : amide:sc= -0.0556 K(o=-0.49,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0 (180deg=-0.0822) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.05) USER MOD Single : A 4 HIS : no HD1:sc= -0.507 X(o=-0.51,f=-0.03) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=-0.19) USER MOD Single : A 11 LYS NZ :NH3+ -106:sc= 0.0168 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.737 K(o=-0.74,f=-1.5) USER MOD Single : A 16 HIS : no HD1:sc= -0.125 X(o=-0.13,f=1.5e-05) USER MOD Single : A 18 HIS :FLIP no HE2:sc= 0.181 F(o=-2.5!,f=0.18) USER MOD Single : A 19 ASN : amide:sc= -0.0302 X(o=-0.03,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -44:sc= 1.03 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -3.13 K(o=-3.1,f=-6.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -4.38! C(o=-4.4!,f=-5.2!) USER MOD Single : A 35 SER OG : rot 160:sc= -0.542 USER MOD Single : A 36 SER OG : rot -52:sc= 0.238 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00499 USER MOD Single : A 39 SER OG : rot 113:sc= 0.512 USER MOD Single : A 42 MET CE :methyl -135:sc= -2.21 (180deg=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.71) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 30:sc= -5.1! USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.00734 F(o=-1,f=0.0073) USER MOD Single : A 76 ASN :FLIP amide:sc= -2.78! C(o=-3.7!,f=-2.8!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.543 F(o=-2.6!,f=-0.54) USER MOD Single : A 82 MET CE :methyl -151:sc= -4.11 (180deg=-7.61!) USER MOD Single : A 85 CYS SG : rot 120:sc= -1.6 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= 0.0491 F(o=-2.1,f=0.049) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.17) USER MOD Single : A 101 SER OG : rot 2:sc= 1.05 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0828 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.09 F(o=-2.8!,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.965 -48.949 -23.527 1.00 0.00 N ATOM 2 CA MET A 1 0.339 -48.954 -24.844 1.00 0.00 C ATOM 3 C MET A 1 -1.158 -48.678 -24.735 1.00 0.00 C ATOM 4 O MET A 1 -1.968 -49.317 -25.408 1.00 0.00 O ATOM 5 CB MET A 1 0.572 -50.298 -25.538 1.00 0.00 C ATOM 6 CG MET A 1 1.982 -50.464 -26.081 1.00 0.00 C ATOM 7 SD MET A 1 2.399 -49.222 -27.320 1.00 0.00 S ATOM 8 CE MET A 1 1.623 -49.921 -28.775 1.00 0.00 C ATOM 0 H1 MET A 1 1.693 -49.690 -23.486 1.00 0.00 H new ATOM 0 H2 MET A 1 1.404 -48.022 -23.355 1.00 0.00 H new ATOM 0 H3 MET A 1 0.244 -49.131 -22.799 1.00 0.00 H new ATOM 0 HA MET A 1 0.795 -48.162 -25.439 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.366 -51.103 -24.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.139 -50.403 -26.357 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.694 -50.404 -25.258 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.084 -51.457 -26.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.793 -49.265 -29.629 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.051 -50.902 -28.980 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.551 -50.022 -28.603 1.00 0.00 H new ATOM 18 N LYS A 2 -1.518 -47.724 -23.884 1.00 0.00 N ATOM 19 CA LYS A 2 -2.917 -47.362 -23.688 1.00 0.00 C ATOM 20 C LYS A 2 -3.248 -46.059 -24.408 1.00 0.00 C ATOM 21 O LYS A 2 -4.130 -46.020 -25.266 1.00 0.00 O ATOM 22 CB LYS A 2 -3.225 -47.225 -22.195 1.00 0.00 C ATOM 23 CG LYS A 2 -4.674 -47.516 -21.843 1.00 0.00 C ATOM 24 CD LYS A 2 -4.830 -47.873 -20.375 1.00 0.00 C ATOM 25 CE LYS A 2 -6.236 -48.364 -20.067 1.00 0.00 C ATOM 26 NZ LYS A 2 -7.261 -47.318 -20.336 1.00 0.00 N ATOM 0 H LYS A 2 -0.860 -47.187 -23.319 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.534 -48.156 -24.109 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.581 -47.904 -21.636 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.978 -46.213 -21.873 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.287 -46.645 -22.074 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.041 -48.337 -22.459 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.108 -48.644 -20.108 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.606 -47.000 -19.761 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.452 -49.247 -20.668 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.293 -48.668 -19.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.192 -47.655 -20.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.013 -46.449 -19.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.294 -47.119 -21.356 1.00 0.00 H new ATOM 40 N ASP A 3 -2.536 -44.995 -24.053 1.00 0.00 N ATOM 41 CA ASP A 3 -2.753 -43.690 -24.668 1.00 0.00 C ATOM 42 C ASP A 3 -1.569 -42.764 -24.408 1.00 0.00 C ATOM 43 O ASP A 3 -0.628 -43.125 -23.700 1.00 0.00 O ATOM 44 CB ASP A 3 -4.038 -43.058 -24.132 1.00 0.00 C ATOM 45 CG ASP A 3 -4.029 -42.918 -22.622 1.00 0.00 C ATOM 46 OD1 ASP A 3 -3.112 -42.256 -22.093 1.00 0.00 O ATOM 47 OD2 ASP A 3 -4.940 -43.471 -21.971 1.00 0.00 O ATOM 0 H ASP A 3 -1.804 -45.010 -23.343 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.850 -43.834 -25.744 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.172 -42.075 -24.584 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.891 -43.666 -24.432 1.00 0.00 H new ATOM 52 N HIS A 4 -1.621 -41.569 -24.987 1.00 0.00 N ATOM 53 CA HIS A 4 -0.553 -40.590 -24.818 1.00 0.00 C ATOM 54 C HIS A 4 -1.069 -39.175 -25.058 1.00 0.00 C ATOM 55 O HIS A 4 -2.221 -38.981 -25.448 1.00 0.00 O ATOM 56 CB HIS A 4 0.601 -40.894 -25.775 1.00 0.00 C ATOM 57 CG HIS A 4 0.315 -40.517 -27.196 1.00 0.00 C ATOM 58 ND1 HIS A 4 -0.092 -41.427 -28.149 1.00 0.00 N ATOM 59 CD2 HIS A 4 0.377 -39.319 -27.825 1.00 0.00 C ATOM 60 CE1 HIS A 4 -0.266 -40.806 -29.302 1.00 0.00 C ATOM 61 NE2 HIS A 4 0.012 -39.526 -29.132 1.00 0.00 N ATOM 0 H HIS A 4 -2.391 -41.255 -25.577 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.192 -40.656 -23.792 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.491 -40.362 -25.439 1.00 0.00 H new ATOM 0 HB3 HIS A 4 0.830 -41.959 -25.729 1.00 0.00 H new ATOM 0 HD2 HIS A 4 0.661 -38.376 -27.381 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -0.582 -41.267 -30.226 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.037 -38.808 -29.855 1.00 0.00 H new ATOM 70 N LEU A 5 -0.211 -38.189 -24.821 1.00 0.00 N ATOM 71 CA LEU A 5 -0.581 -36.791 -25.011 1.00 0.00 C ATOM 72 C LEU A 5 0.621 -35.966 -25.462 1.00 0.00 C ATOM 73 O LEU A 5 1.739 -36.474 -25.544 1.00 0.00 O ATOM 74 CB LEU A 5 -1.151 -36.214 -23.714 1.00 0.00 C ATOM 75 CG LEU A 5 -0.350 -36.498 -22.443 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.642 -37.900 -21.931 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.139 -36.321 -22.700 1.00 0.00 C ATOM 0 H LEU A 5 0.746 -38.332 -24.497 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.343 -36.745 -25.789 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.240 -35.134 -23.829 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.160 -36.605 -23.579 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.653 -35.783 -21.678 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.063 -38.085 -21.026 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.705 -37.992 -21.707 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.367 -38.630 -22.693 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.693 -36.527 -21.784 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.458 -37.012 -23.481 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.334 -35.297 -23.019 1.00 0.00 H new ATOM 89 N ILE A 6 0.382 -34.692 -25.752 1.00 0.00 N ATOM 90 CA ILE A 6 1.445 -33.796 -26.191 1.00 0.00 C ATOM 91 C ILE A 6 1.381 -32.464 -25.453 1.00 0.00 C ATOM 92 O ILE A 6 0.300 -31.971 -25.131 1.00 0.00 O ATOM 93 CB ILE A 6 1.369 -33.535 -27.707 1.00 0.00 C ATOM 94 CG1 ILE A 6 1.454 -34.853 -28.479 1.00 0.00 C ATOM 95 CG2 ILE A 6 2.481 -32.590 -28.138 1.00 0.00 C ATOM 96 CD1 ILE A 6 2.748 -35.603 -28.253 1.00 0.00 C ATOM 0 H ILE A 6 -0.538 -34.257 -25.691 1.00 0.00 H new ATOM 0 HA ILE A 6 2.389 -34.290 -25.962 1.00 0.00 H new ATOM 0 HB ILE A 6 0.411 -33.065 -27.932 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.619 -35.490 -28.188 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.343 -34.649 -29.544 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.414 -32.415 -29.212 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.379 -31.642 -27.609 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.448 -33.034 -27.902 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.739 -36.527 -28.831 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.587 -34.985 -28.571 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.852 -35.839 -27.194 1.00 0.00 H new ATOM 108 N HIS A 7 2.548 -31.884 -25.189 1.00 0.00 N ATOM 109 CA HIS A 7 2.626 -30.605 -24.491 1.00 0.00 C ATOM 110 C HIS A 7 3.213 -29.527 -25.395 1.00 0.00 C ATOM 111 O HIS A 7 3.680 -29.814 -26.497 1.00 0.00 O ATOM 112 CB HIS A 7 3.472 -30.743 -23.225 1.00 0.00 C ATOM 113 CG HIS A 7 2.894 -31.689 -22.217 1.00 0.00 C ATOM 114 ND1 HIS A 7 1.548 -31.744 -21.923 1.00 0.00 N ATOM 115 CD2 HIS A 7 3.487 -32.621 -21.436 1.00 0.00 C ATOM 116 CE1 HIS A 7 1.339 -32.668 -21.002 1.00 0.00 C ATOM 117 NE2 HIS A 7 2.500 -33.216 -20.690 1.00 0.00 N ATOM 0 H HIS A 7 3.452 -32.279 -25.448 1.00 0.00 H new ATOM 0 HA HIS A 7 1.615 -30.308 -24.213 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.470 -31.084 -23.500 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.586 -29.761 -22.766 1.00 0.00 H new ATOM 0 HD2 HIS A 7 4.541 -32.854 -21.405 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.382 -32.931 -20.576 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.640 -33.960 -20.006 1.00 0.00 H new ATOM 126 N ASN A 8 3.186 -28.285 -24.922 1.00 0.00 N ATOM 127 CA ASN A 8 3.715 -27.163 -25.689 1.00 0.00 C ATOM 128 C ASN A 8 5.204 -26.973 -25.419 1.00 0.00 C ATOM 129 O ASN A 8 5.600 -26.546 -24.334 1.00 0.00 O ATOM 130 CB ASN A 8 2.955 -25.880 -25.346 1.00 0.00 C ATOM 131 CG ASN A 8 3.455 -24.684 -26.133 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.411 -24.675 -27.363 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.933 -23.668 -25.425 1.00 0.00 N ATOM 0 H ASN A 8 2.803 -28.030 -24.011 1.00 0.00 H new ATOM 0 HA ASN A 8 3.581 -27.384 -26.748 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.893 -26.025 -25.546 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.053 -25.677 -24.280 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.283 -22.836 -25.900 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.950 -23.719 -24.406 1.00 0.00 H new ATOM 140 N VAL A 9 6.027 -27.293 -26.413 1.00 0.00 N ATOM 141 CA VAL A 9 7.472 -27.156 -26.284 1.00 0.00 C ATOM 142 C VAL A 9 8.104 -26.727 -27.604 1.00 0.00 C ATOM 143 O VAL A 9 8.116 -27.485 -28.574 1.00 0.00 O ATOM 144 CB VAL A 9 8.121 -28.474 -25.821 1.00 0.00 C ATOM 145 CG1 VAL A 9 7.758 -28.769 -24.374 1.00 0.00 C ATOM 146 CG2 VAL A 9 7.704 -29.621 -26.729 1.00 0.00 C ATOM 0 H VAL A 9 5.717 -27.649 -27.317 1.00 0.00 H new ATOM 0 HA VAL A 9 7.651 -26.387 -25.532 1.00 0.00 H new ATOM 0 HB VAL A 9 9.204 -28.367 -25.884 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.226 -29.704 -24.065 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.112 -27.958 -23.737 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.676 -28.857 -24.281 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.172 -30.544 -26.387 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.620 -29.732 -26.701 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.021 -29.410 -27.750 1.00 0.00 H new ATOM 156 N HIS A 10 8.629 -25.506 -27.633 1.00 0.00 N ATOM 157 CA HIS A 10 9.264 -24.976 -28.834 1.00 0.00 C ATOM 158 C HIS A 10 10.523 -25.767 -29.177 1.00 0.00 C ATOM 159 O HIS A 10 11.420 -25.918 -28.348 1.00 0.00 O ATOM 160 CB HIS A 10 9.613 -23.500 -28.642 1.00 0.00 C ATOM 161 CG HIS A 10 9.615 -22.715 -29.918 1.00 0.00 C ATOM 162 ND1 HIS A 10 8.534 -22.661 -30.771 1.00 0.00 N ATOM 163 CD2 HIS A 10 10.577 -21.947 -30.483 1.00 0.00 C ATOM 164 CE1 HIS A 10 8.830 -21.896 -31.807 1.00 0.00 C ATOM 165 NE2 HIS A 10 10.064 -21.450 -31.656 1.00 0.00 N ATOM 0 H HIS A 10 8.627 -24.866 -26.839 1.00 0.00 H new ATOM 0 HA HIS A 10 8.559 -25.071 -29.660 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.898 -23.053 -27.951 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.596 -23.425 -28.177 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.564 -21.760 -30.085 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.175 -21.673 -32.636 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.556 -20.836 -32.305 1.00 0.00 H new ATOM 174 N LYS A 11 10.582 -26.272 -30.405 1.00 0.00 N ATOM 175 CA LYS A 11 11.729 -27.048 -30.860 1.00 0.00 C ATOM 176 C LYS A 11 12.891 -26.132 -31.233 1.00 0.00 C ATOM 177 O LYS A 11 12.687 -24.981 -31.616 1.00 0.00 O ATOM 178 CB LYS A 11 11.342 -27.914 -32.061 1.00 0.00 C ATOM 179 CG LYS A 11 10.677 -29.224 -31.676 1.00 0.00 C ATOM 180 CD LYS A 11 9.288 -28.998 -31.104 1.00 0.00 C ATOM 181 CE LYS A 11 8.273 -28.714 -32.201 1.00 0.00 C ATOM 182 NZ LYS A 11 7.019 -28.123 -31.657 1.00 0.00 N ATOM 0 H LYS A 11 9.848 -26.157 -31.103 1.00 0.00 H new ATOM 0 HA LYS A 11 12.046 -27.695 -30.042 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.667 -27.349 -32.704 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.236 -28.128 -32.647 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.610 -29.870 -32.551 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.293 -29.744 -30.942 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.978 -29.877 -30.539 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.313 -28.162 -30.405 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.709 -28.032 -32.931 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.040 -29.639 -32.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.264 -28.838 -31.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.180 -27.807 -30.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.736 -27.310 -32.241 1.00 0.00 H new ATOM 196 N GLU A 12 14.109 -26.653 -31.121 1.00 0.00 N ATOM 197 CA GLU A 12 15.302 -25.882 -31.448 1.00 0.00 C ATOM 198 C GLU A 12 15.238 -24.490 -30.825 1.00 0.00 C ATOM 199 O GLU A 12 15.372 -23.483 -31.519 1.00 0.00 O ATOM 200 CB GLU A 12 15.463 -25.767 -32.965 1.00 0.00 C ATOM 201 CG GLU A 12 16.881 -25.447 -33.405 1.00 0.00 C ATOM 202 CD GLU A 12 17.031 -25.415 -34.913 1.00 0.00 C ATOM 203 OE1 GLU A 12 16.149 -24.843 -35.586 1.00 0.00 O ATOM 204 OE2 GLU A 12 18.033 -25.963 -35.421 1.00 0.00 O ATOM 0 H GLU A 12 14.295 -27.605 -30.806 1.00 0.00 H new ATOM 0 HA GLU A 12 16.165 -26.406 -31.037 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.151 -26.704 -33.427 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.793 -24.991 -33.335 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.176 -24.481 -32.994 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.562 -26.191 -32.992 1.00 0.00 H new ATOM 211 N GLU A 13 15.031 -24.444 -29.513 1.00 0.00 N ATOM 212 CA GLU A 13 14.947 -23.176 -28.798 1.00 0.00 C ATOM 213 C GLU A 13 16.266 -22.856 -28.102 1.00 0.00 C ATOM 214 O GLU A 13 16.597 -23.445 -27.072 1.00 0.00 O ATOM 215 CB GLU A 13 13.813 -23.218 -27.771 1.00 0.00 C ATOM 216 CG GLU A 13 13.809 -24.477 -26.920 1.00 0.00 C ATOM 217 CD GLU A 13 13.051 -24.299 -25.619 1.00 0.00 C ATOM 218 OE1 GLU A 13 13.669 -23.863 -24.626 1.00 0.00 O ATOM 219 OE2 GLU A 13 11.838 -24.597 -25.595 1.00 0.00 O ATOM 0 H GLU A 13 14.918 -25.269 -28.924 1.00 0.00 H new ATOM 0 HA GLU A 13 14.740 -22.391 -29.525 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.893 -22.349 -27.118 1.00 0.00 H new ATOM 0 HB3 GLU A 13 12.859 -23.139 -28.292 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.362 -25.293 -27.488 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.837 -24.766 -26.701 1.00 0.00 H new ATOM 226 N HIS A 14 17.017 -21.918 -28.671 1.00 0.00 N ATOM 227 CA HIS A 14 18.301 -21.519 -28.106 1.00 0.00 C ATOM 228 C HIS A 14 18.109 -20.490 -26.995 1.00 0.00 C ATOM 229 O HIS A 14 18.904 -19.562 -26.852 1.00 0.00 O ATOM 230 CB HIS A 14 19.206 -20.946 -29.197 1.00 0.00 C ATOM 231 CG HIS A 14 19.363 -21.849 -30.381 1.00 0.00 C ATOM 232 ND1 HIS A 14 20.550 -22.476 -30.698 1.00 0.00 N ATOM 233 CD2 HIS A 14 18.473 -22.232 -31.326 1.00 0.00 C ATOM 234 CE1 HIS A 14 20.384 -23.203 -31.788 1.00 0.00 C ATOM 235 NE2 HIS A 14 19.132 -23.073 -32.189 1.00 0.00 N ATOM 0 H HIS A 14 16.758 -21.420 -29.523 1.00 0.00 H new ATOM 0 HA HIS A 14 18.774 -22.404 -27.680 1.00 0.00 H new ATOM 0 HB2 HIS A 14 18.799 -19.991 -29.530 1.00 0.00 H new ATOM 0 HB3 HIS A 14 20.189 -20.743 -28.772 1.00 0.00 H new ATOM 0 HD1 HIS A 14 21.420 -22.391 -30.173 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.437 -21.932 -31.390 1.00 0.00 H new ATOM 0 HE1 HIS A 14 21.143 -23.802 -32.270 1.00 0.00 H new ATOM 244 N ALA A 15 17.049 -20.662 -26.213 1.00 0.00 N ATOM 245 CA ALA A 15 16.754 -19.750 -25.115 1.00 0.00 C ATOM 246 C ALA A 15 16.923 -20.441 -23.766 1.00 0.00 C ATOM 247 O ALA A 15 16.039 -21.169 -23.315 1.00 0.00 O ATOM 248 CB ALA A 15 15.343 -19.197 -25.253 1.00 0.00 C ATOM 0 H ALA A 15 16.380 -21.425 -26.319 1.00 0.00 H new ATOM 0 HA ALA A 15 17.463 -18.924 -25.162 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.136 -18.517 -24.426 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.254 -18.658 -26.196 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.627 -20.019 -25.235 1.00 0.00 H new ATOM 254 N HIS A 16 18.066 -20.210 -23.128 1.00 0.00 N ATOM 255 CA HIS A 16 18.352 -20.811 -21.830 1.00 0.00 C ATOM 256 C HIS A 16 19.134 -19.846 -20.944 1.00 0.00 C ATOM 257 O HIS A 16 19.895 -19.015 -21.437 1.00 0.00 O ATOM 258 CB HIS A 16 19.138 -22.110 -22.008 1.00 0.00 C ATOM 259 CG HIS A 16 20.253 -22.004 -23.002 1.00 0.00 C ATOM 260 ND1 HIS A 16 20.347 -22.809 -24.117 1.00 0.00 N ATOM 261 CD2 HIS A 16 21.325 -21.178 -23.045 1.00 0.00 C ATOM 262 CE1 HIS A 16 21.429 -22.485 -24.802 1.00 0.00 C ATOM 263 NE2 HIS A 16 22.040 -21.498 -24.173 1.00 0.00 N ATOM 0 H HIS A 16 18.809 -19.611 -23.488 1.00 0.00 H new ATOM 0 HA HIS A 16 17.402 -21.034 -21.343 1.00 0.00 H new ATOM 0 HB2 HIS A 16 19.549 -22.411 -21.044 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.455 -22.898 -22.324 1.00 0.00 H new ATOM 0 HD2 HIS A 16 21.572 -20.411 -22.326 1.00 0.00 H new ATOM 0 HE1 HIS A 16 21.758 -22.949 -25.720 1.00 0.00 H new ATOM 0 HE2 HIS A 16 22.903 -21.046 -24.476 1.00 0.00 H new ATOM 272 N ALA A 17 18.940 -19.963 -19.635 1.00 0.00 N ATOM 273 CA ALA A 17 19.628 -19.102 -18.681 1.00 0.00 C ATOM 274 C ALA A 17 19.387 -19.567 -17.248 1.00 0.00 C ATOM 275 O ALA A 17 18.259 -19.884 -16.869 1.00 0.00 O ATOM 276 CB ALA A 17 19.177 -17.658 -18.852 1.00 0.00 C ATOM 0 H ALA A 17 18.312 -20.646 -19.211 1.00 0.00 H new ATOM 0 HA ALA A 17 20.698 -19.163 -18.880 1.00 0.00 H new ATOM 0 HB1 ALA A 17 19.699 -17.026 -18.133 1.00 0.00 H new ATOM 0 HB2 ALA A 17 19.406 -17.323 -19.863 1.00 0.00 H new ATOM 0 HB3 ALA A 17 18.103 -17.590 -18.682 1.00 0.00 H new ATOM 282 N HIS A 18 20.454 -19.605 -16.456 1.00 0.00 N ATOM 283 CA HIS A 18 20.358 -20.032 -15.065 1.00 0.00 C ATOM 284 C HIS A 18 20.567 -18.853 -14.120 1.00 0.00 C ATOM 285 O HIS A 18 21.688 -18.577 -13.694 1.00 0.00 O ATOM 286 CB HIS A 18 21.388 -21.124 -14.772 1.00 0.00 C ATOM 287 CG HIS A 18 22.728 -20.865 -15.389 1.00 0.00 C ATOM 288 ND1 HIS A 18 23.325 -19.706 -15.755 1.00 0.00 N flip ATOM 289 CD2 HIS A 18 23.620 -21.869 -15.701 1.00 0.00 C flip ATOM 290 CE1 HIS A 18 24.555 -20.028 -16.273 1.00 0.00 C flip ATOM 291 NE2 HIS A 18 24.708 -21.340 -16.229 1.00 0.00 N flip ATOM 0 H HIS A 18 21.394 -19.345 -16.754 1.00 0.00 H new ATOM 0 HA HIS A 18 19.358 -20.433 -14.902 1.00 0.00 H new ATOM 0 HB2 HIS A 18 21.507 -21.220 -13.693 1.00 0.00 H new ATOM 0 HB3 HIS A 18 21.008 -22.078 -15.137 1.00 0.00 H new ATOM 0 HD1 HIS A 18 22.934 -18.769 -15.663 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.454 -22.924 -15.539 1.00 0.00 H new ATOM 0 HE1 HIS A 18 25.280 -19.324 -16.654 1.00 0.00 H new ATOM 300 N ASN A 19 19.480 -18.160 -13.796 1.00 0.00 N ATOM 301 CA ASN A 19 19.545 -17.009 -12.902 1.00 0.00 C ATOM 302 C ASN A 19 19.069 -17.382 -11.501 1.00 0.00 C ATOM 303 O ASN A 19 18.292 -16.654 -10.883 1.00 0.00 O ATOM 304 CB ASN A 19 18.696 -15.861 -13.453 1.00 0.00 C ATOM 305 CG ASN A 19 19.099 -15.468 -14.861 1.00 0.00 C ATOM 306 OD1 ASN A 19 20.032 -14.689 -15.057 1.00 0.00 O ATOM 307 ND2 ASN A 19 18.396 -16.007 -15.850 1.00 0.00 N ATOM 0 H ASN A 19 18.544 -18.375 -14.139 1.00 0.00 H new ATOM 0 HA ASN A 19 20.584 -16.686 -12.840 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.646 -16.154 -13.447 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.789 -14.996 -12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.621 -15.780 -16.819 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.631 -16.648 -15.641 1.00 0.00 H new ATOM 314 N LYS A 20 19.541 -18.520 -11.005 1.00 0.00 N ATOM 315 CA LYS A 20 19.167 -18.990 -9.677 1.00 0.00 C ATOM 316 C LYS A 20 19.996 -18.297 -8.601 1.00 0.00 C ATOM 317 O LYS A 20 20.552 -18.948 -7.716 1.00 0.00 O ATOM 318 CB LYS A 20 19.350 -20.506 -9.579 1.00 0.00 C ATOM 319 CG LYS A 20 20.515 -21.032 -10.400 1.00 0.00 C ATOM 320 CD LYS A 20 21.076 -22.317 -9.813 1.00 0.00 C ATOM 321 CE LYS A 20 20.229 -23.521 -10.198 1.00 0.00 C ATOM 322 NZ LYS A 20 21.011 -24.787 -10.148 1.00 0.00 N ATOM 0 H LYS A 20 20.184 -19.135 -11.504 1.00 0.00 H new ATOM 0 HA LYS A 20 18.117 -18.746 -9.516 1.00 0.00 H new ATOM 0 HB2 LYS A 20 19.500 -20.779 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.434 -20.996 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 20 20.188 -21.211 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 20 21.300 -20.278 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 20 22.098 -22.463 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 20 21.120 -22.234 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.375 -23.595 -9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.831 -23.379 -11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.399 -25.584 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 21.812 -24.727 -10.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 21.369 -24.936 -9.183 1.00 0.00 H new ATOM 336 N ASP A 21 20.074 -16.973 -8.681 1.00 0.00 N ATOM 337 CA ASP A 21 20.833 -16.191 -7.713 1.00 0.00 C ATOM 338 C ASP A 21 20.040 -14.970 -7.259 1.00 0.00 C ATOM 339 O ASP A 21 20.146 -13.894 -7.848 1.00 0.00 O ATOM 340 CB ASP A 21 22.169 -15.752 -8.315 1.00 0.00 C ATOM 341 CG ASP A 21 23.139 -15.247 -7.265 1.00 0.00 C ATOM 342 OD1 ASP A 21 23.876 -16.075 -6.690 1.00 0.00 O ATOM 343 OD2 ASP A 21 23.161 -14.023 -7.018 1.00 0.00 O ATOM 0 H ASP A 21 19.620 -16.419 -9.407 1.00 0.00 H new ATOM 0 HA ASP A 21 21.024 -16.821 -6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 21 22.618 -16.591 -8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 21 21.992 -14.967 -9.050 1.00 0.00 H new ATOM 348 N TYR A 22 19.245 -15.144 -6.209 1.00 0.00 N ATOM 349 CA TYR A 22 18.430 -14.057 -5.679 1.00 0.00 C ATOM 350 C TYR A 22 18.568 -13.963 -4.162 1.00 0.00 C ATOM 351 O TYR A 22 19.099 -14.868 -3.519 1.00 0.00 O ATOM 352 CB TYR A 22 16.962 -14.259 -6.057 1.00 0.00 C ATOM 353 CG TYR A 22 16.579 -15.710 -6.242 1.00 0.00 C ATOM 354 CD1 TYR A 22 16.746 -16.343 -7.468 1.00 0.00 C ATOM 355 CD2 TYR A 22 16.052 -16.449 -5.190 1.00 0.00 C ATOM 356 CE1 TYR A 22 16.397 -17.668 -7.641 1.00 0.00 C ATOM 357 CE2 TYR A 22 15.701 -17.775 -5.354 1.00 0.00 C ATOM 358 CZ TYR A 22 15.875 -18.380 -6.582 1.00 0.00 C ATOM 359 OH TYR A 22 15.527 -19.701 -6.750 1.00 0.00 O ATOM 0 H TYR A 22 19.148 -16.027 -5.708 1.00 0.00 H new ATOM 0 HA TYR A 22 18.785 -13.124 -6.117 1.00 0.00 H new ATOM 0 HB2 TYR A 22 16.332 -13.822 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 22 16.755 -13.717 -6.980 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.156 -15.789 -8.300 1.00 0.00 H new ATOM 0 HD2 TYR A 22 15.914 -15.979 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 22 16.532 -18.144 -8.601 1.00 0.00 H new ATOM 0 HE2 TYR A 22 15.293 -18.335 -4.526 1.00 0.00 H new ATOM 0 HH TYR A 22 15.176 -20.057 -5.907 1.00 0.00 H new ATOM 369 N ASP A 23 18.084 -12.862 -3.598 1.00 0.00 N ATOM 370 CA ASP A 23 18.151 -12.649 -2.157 1.00 0.00 C ATOM 371 C ASP A 23 16.752 -12.586 -1.552 1.00 0.00 C ATOM 372 O ASP A 23 15.980 -11.671 -1.843 1.00 0.00 O ATOM 373 CB ASP A 23 18.914 -11.361 -1.844 1.00 0.00 C ATOM 374 CG ASP A 23 18.126 -10.118 -2.209 1.00 0.00 C ATOM 375 OD1 ASP A 23 17.877 -9.907 -3.414 1.00 0.00 O ATOM 376 OD2 ASP A 23 17.759 -9.357 -1.290 1.00 0.00 O ATOM 0 H ASP A 23 17.641 -12.103 -4.116 1.00 0.00 H new ATOM 0 HA ASP A 23 18.682 -13.492 -1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.157 -11.335 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 23 19.859 -11.361 -2.387 1.00 0.00 H new ATOM 381 N ILE A 24 16.431 -13.563 -0.711 1.00 0.00 N ATOM 382 CA ILE A 24 15.125 -13.617 -0.065 1.00 0.00 C ATOM 383 C ILE A 24 15.265 -13.721 1.450 1.00 0.00 C ATOM 384 O ILE A 24 16.094 -14.466 1.972 1.00 0.00 O ATOM 385 CB ILE A 24 14.294 -14.809 -0.576 1.00 0.00 C ATOM 386 CG1 ILE A 24 14.690 -15.157 -2.012 1.00 0.00 C ATOM 387 CG2 ILE A 24 12.808 -14.493 -0.492 1.00 0.00 C ATOM 388 CD1 ILE A 24 14.346 -14.075 -3.013 1.00 0.00 C ATOM 0 H ILE A 24 17.057 -14.328 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 24 14.609 -12.690 -0.317 1.00 0.00 H new ATOM 0 HB ILE A 24 14.498 -15.673 0.056 1.00 0.00 H new ATOM 0 HG12 ILE A 24 15.763 -15.347 -2.049 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.192 -16.082 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.234 -15.345 -0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 24 12.537 -14.290 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.587 -13.618 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 24 14.655 -14.390 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.270 -13.901 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 24 14.865 -13.154 -2.746 1.00 0.00 H new ATOM 400 N PRO A 25 14.433 -12.958 2.174 1.00 0.00 N ATOM 401 CA PRO A 25 14.442 -12.948 3.640 1.00 0.00 C ATOM 402 C PRO A 25 13.918 -14.253 4.232 1.00 0.00 C ATOM 403 O PRO A 25 13.443 -15.129 3.508 1.00 0.00 O ATOM 404 CB PRO A 25 13.507 -11.788 3.992 1.00 0.00 C ATOM 405 CG PRO A 25 12.599 -11.664 2.819 1.00 0.00 C ATOM 406 CD PRO A 25 13.418 -12.047 1.618 1.00 0.00 C ATOM 0 HA PRO A 25 15.450 -12.838 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.948 -11.993 4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.065 -10.867 4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.733 -12.318 2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.220 -10.646 2.725 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.811 -12.538 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.874 -11.176 1.148 1.00 0.00 H new ATOM 414 N THR A 26 14.008 -14.376 5.552 1.00 0.00 N ATOM 415 CA THR A 26 13.545 -15.574 6.241 1.00 0.00 C ATOM 416 C THR A 26 12.124 -15.393 6.763 1.00 0.00 C ATOM 417 O THR A 26 11.758 -15.942 7.802 1.00 0.00 O ATOM 418 CB THR A 26 14.469 -15.938 7.418 1.00 0.00 C ATOM 419 OG1 THR A 26 14.045 -17.171 8.011 1.00 0.00 O ATOM 420 CG2 THR A 26 14.467 -14.838 8.469 1.00 0.00 C ATOM 0 H THR A 26 14.397 -13.660 6.166 1.00 0.00 H new ATOM 0 HA THR A 26 13.562 -16.384 5.512 1.00 0.00 H new ATOM 0 HB THR A 26 15.483 -16.049 7.033 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.070 -17.167 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.127 -15.118 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.818 -13.908 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.455 -14.699 8.848 1.00 0.00 H new ATOM 428 N THR A 27 11.325 -14.619 6.034 1.00 0.00 N ATOM 429 CA THR A 27 9.944 -14.366 6.423 1.00 0.00 C ATOM 430 C THR A 27 8.970 -15.067 5.483 1.00 0.00 C ATOM 431 O THR A 27 9.227 -15.186 4.286 1.00 0.00 O ATOM 432 CB THR A 27 9.631 -12.858 6.436 1.00 0.00 C ATOM 433 OG1 THR A 27 10.169 -12.236 5.263 1.00 0.00 O ATOM 434 CG2 THR A 27 10.210 -12.195 7.677 1.00 0.00 C ATOM 0 H THR A 27 11.612 -14.157 5.171 1.00 0.00 H new ATOM 0 HA THR A 27 9.822 -14.764 7.430 1.00 0.00 H new ATOM 0 HB THR A 27 8.548 -12.735 6.449 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.964 -11.278 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.976 -11.131 7.664 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.778 -12.650 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.292 -12.329 7.690 1.00 0.00 H new ATOM 442 N GLU A 28 7.851 -15.528 6.034 1.00 0.00 N ATOM 443 CA GLU A 28 6.839 -16.218 5.242 1.00 0.00 C ATOM 444 C GLU A 28 5.609 -15.337 5.045 1.00 0.00 C ATOM 445 O GLU A 28 4.602 -15.495 5.734 1.00 0.00 O ATOM 446 CB GLU A 28 6.437 -17.530 5.919 1.00 0.00 C ATOM 447 CG GLU A 28 7.552 -18.562 5.957 1.00 0.00 C ATOM 448 CD GLU A 28 8.600 -18.249 7.007 1.00 0.00 C ATOM 449 OE1 GLU A 28 8.436 -18.699 8.161 1.00 0.00 O ATOM 450 OE2 GLU A 28 9.584 -17.556 6.676 1.00 0.00 O ATOM 0 H GLU A 28 7.623 -15.436 7.024 1.00 0.00 H new ATOM 0 HA GLU A 28 7.267 -16.438 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.114 -17.319 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.580 -17.952 5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.126 -19.545 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.028 -18.614 4.978 1.00 0.00 H new ATOM 457 N ASN A 29 5.700 -14.408 4.099 1.00 0.00 N ATOM 458 CA ASN A 29 4.595 -13.500 3.811 1.00 0.00 C ATOM 459 C ASN A 29 4.675 -12.983 2.378 1.00 0.00 C ATOM 460 O ASN A 29 5.756 -12.905 1.794 1.00 0.00 O ATOM 461 CB ASN A 29 4.605 -12.324 4.790 1.00 0.00 C ATOM 462 CG ASN A 29 4.473 -12.772 6.233 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.367 -12.875 6.763 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.604 -13.040 6.876 1.00 0.00 N ATOM 0 H ASN A 29 6.527 -14.264 3.519 1.00 0.00 H new ATOM 0 HA ASN A 29 3.663 -14.054 3.928 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.532 -11.763 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.787 -11.645 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.578 -13.345 7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.499 -12.941 6.397 1.00 0.00 H new ATOM 471 N LEU A 30 3.523 -12.632 1.817 1.00 0.00 N ATOM 472 CA LEU A 30 3.462 -12.122 0.451 1.00 0.00 C ATOM 473 C LEU A 30 3.321 -10.603 0.444 1.00 0.00 C ATOM 474 O LEU A 30 2.889 -10.004 1.429 1.00 0.00 O ATOM 475 CB LEU A 30 2.290 -12.757 -0.299 1.00 0.00 C ATOM 476 CG LEU A 30 2.605 -14.038 -1.072 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.542 -13.745 -2.233 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.209 -15.085 -0.148 1.00 0.00 C ATOM 0 H LEU A 30 2.619 -12.691 2.286 1.00 0.00 H new ATOM 0 HA LEU A 30 4.393 -12.385 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.500 -12.975 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.891 -12.023 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 30 1.673 -14.433 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.755 -14.669 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.071 -13.031 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.473 -13.325 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.426 -15.990 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.131 -14.699 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.503 -15.318 0.649 1.00 0.00 H new ATOM 490 N TYR A 31 3.687 -9.986 -0.674 1.00 0.00 N ATOM 491 CA TYR A 31 3.603 -8.537 -0.811 1.00 0.00 C ATOM 492 C TYR A 31 2.994 -8.151 -2.155 1.00 0.00 C ATOM 493 O TYR A 31 3.489 -8.546 -3.211 1.00 0.00 O ATOM 494 CB TYR A 31 4.990 -7.908 -0.667 1.00 0.00 C ATOM 495 CG TYR A 31 5.580 -8.054 0.717 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.886 -7.619 1.839 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.833 -8.626 0.903 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.422 -7.750 3.106 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.376 -8.762 2.166 1.00 0.00 C ATOM 500 CZ TYR A 31 6.667 -8.322 3.264 1.00 0.00 C ATOM 501 OH TYR A 31 7.205 -8.455 4.523 1.00 0.00 O ATOM 0 H TYR A 31 4.045 -10.467 -1.499 1.00 0.00 H new ATOM 0 HA TYR A 31 2.957 -8.160 -0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.664 -8.366 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.927 -6.849 -0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.911 -7.171 1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.392 -8.970 0.045 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.869 -7.406 3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.350 -9.210 2.293 1.00 0.00 H new ATOM 0 HH TYR A 31 8.087 -8.878 4.459 1.00 0.00 H new ATOM 511 N PHE A 32 1.915 -7.375 -2.108 1.00 0.00 N ATOM 512 CA PHE A 32 1.237 -6.935 -3.321 1.00 0.00 C ATOM 513 C PHE A 32 1.206 -5.411 -3.405 1.00 0.00 C ATOM 514 O PHE A 32 1.284 -4.723 -2.388 1.00 0.00 O ATOM 515 CB PHE A 32 -0.189 -7.488 -3.363 1.00 0.00 C ATOM 516 CG PHE A 32 -0.251 -8.989 -3.331 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.095 -9.676 -2.138 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.464 -9.712 -4.493 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.152 -11.057 -2.104 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.522 -11.092 -4.466 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.364 -11.766 -3.270 1.00 0.00 C ATOM 0 H PHE A 32 1.492 -7.039 -1.243 1.00 0.00 H new ATOM 0 HA PHE A 32 1.793 -7.317 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.749 -7.091 -2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.682 -7.131 -4.267 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.073 -9.126 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.586 -9.191 -5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.031 -11.580 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.691 -11.644 -5.379 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.406 -12.845 -3.247 1.00 0.00 H new ATOM 531 N GLN A 33 1.091 -4.894 -4.623 1.00 0.00 N ATOM 532 CA GLN A 33 1.051 -3.452 -4.840 1.00 0.00 C ATOM 533 C GLN A 33 -0.056 -3.080 -5.820 1.00 0.00 C ATOM 534 O GLN A 33 -0.135 -3.624 -6.920 1.00 0.00 O ATOM 535 CB GLN A 33 2.400 -2.956 -5.363 1.00 0.00 C ATOM 536 CG GLN A 33 2.742 -3.475 -6.751 1.00 0.00 C ATOM 537 CD GLN A 33 2.212 -2.581 -7.855 1.00 0.00 C ATOM 538 OE1 GLN A 33 1.388 -3.002 -8.667 1.00 0.00 O ATOM 539 NE2 GLN A 33 2.684 -1.341 -7.890 1.00 0.00 N ATOM 0 H GLN A 33 1.024 -5.451 -5.475 1.00 0.00 H new ATOM 0 HA GLN A 33 0.841 -2.972 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.394 -1.866 -5.383 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.183 -3.258 -4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.824 -3.561 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.331 -4.477 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.366 -1.035 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.364 -0.694 -8.611 1.00 0.00 H new ATOM 548 N GLY A 34 -0.912 -2.147 -5.412 1.00 0.00 N ATOM 549 CA GLY A 34 -2.004 -1.718 -6.266 1.00 0.00 C ATOM 550 C GLY A 34 -3.084 -0.981 -5.499 1.00 0.00 C ATOM 551 O GLY A 34 -4.255 -1.358 -5.546 1.00 0.00 O ATOM 0 H GLY A 34 -0.868 -1.681 -4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.614 -1.071 -7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.440 -2.588 -6.757 1.00 0.00 H new ATOM 555 N SER A 35 -2.691 0.072 -4.789 1.00 0.00 N ATOM 556 CA SER A 35 -3.634 0.860 -4.004 1.00 0.00 C ATOM 557 C SER A 35 -4.658 1.539 -4.908 1.00 0.00 C ATOM 558 O SER A 35 -4.402 1.775 -6.088 1.00 0.00 O ATOM 559 CB SER A 35 -2.889 1.911 -3.179 1.00 0.00 C ATOM 560 OG SER A 35 -2.360 2.931 -4.009 1.00 0.00 O ATOM 0 H SER A 35 -1.726 0.399 -4.741 1.00 0.00 H new ATOM 0 HA SER A 35 -4.161 0.185 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.566 2.349 -2.446 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.081 1.435 -2.623 1.00 0.00 H new ATOM 0 HG SER A 35 -2.179 3.730 -3.471 1.00 0.00 H new ATOM 566 N SER A 36 -5.821 1.850 -4.343 1.00 0.00 N ATOM 567 CA SER A 36 -6.887 2.499 -5.098 1.00 0.00 C ATOM 568 C SER A 36 -6.998 3.974 -4.723 1.00 0.00 C ATOM 569 O SER A 36 -8.093 4.532 -4.673 1.00 0.00 O ATOM 570 CB SER A 36 -8.222 1.795 -4.843 1.00 0.00 C ATOM 571 OG SER A 36 -9.199 2.197 -5.787 1.00 0.00 O ATOM 0 H SER A 36 -6.049 1.663 -3.366 1.00 0.00 H new ATOM 0 HA SER A 36 -6.643 2.429 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.083 0.715 -4.896 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.570 2.023 -3.835 1.00 0.00 H new ATOM 0 HG SER A 36 -9.245 3.176 -5.814 1.00 0.00 H new ATOM 577 N GLY A 37 -5.855 4.599 -4.461 1.00 0.00 N ATOM 578 CA GLY A 37 -5.844 6.003 -4.094 1.00 0.00 C ATOM 579 C GLY A 37 -5.422 6.223 -2.655 1.00 0.00 C ATOM 580 O GLY A 37 -4.283 6.602 -2.386 1.00 0.00 O ATOM 0 H GLY A 37 -4.936 4.158 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.166 6.543 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.838 6.423 -4.246 1.00 0.00 H new ATOM 584 N SER A 38 -6.344 5.987 -1.727 1.00 0.00 N ATOM 585 CA SER A 38 -6.064 6.167 -0.307 1.00 0.00 C ATOM 586 C SER A 38 -6.037 4.823 0.416 1.00 0.00 C ATOM 587 O SER A 38 -6.299 3.779 -0.181 1.00 0.00 O ATOM 588 CB SER A 38 -7.113 7.080 0.330 1.00 0.00 C ATOM 589 OG SER A 38 -6.662 7.584 1.575 1.00 0.00 O ATOM 0 H SER A 38 -7.292 5.671 -1.933 1.00 0.00 H new ATOM 0 HA SER A 38 -5.083 6.632 -0.212 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.335 7.909 -0.342 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.042 6.528 0.473 1.00 0.00 H new ATOM 0 HG SER A 38 -7.350 8.166 1.961 1.00 0.00 H new ATOM 595 N SER A 39 -5.717 4.859 1.706 1.00 0.00 N ATOM 596 CA SER A 39 -5.652 3.645 2.511 1.00 0.00 C ATOM 597 C SER A 39 -7.051 3.138 2.845 1.00 0.00 C ATOM 598 O SER A 39 -7.301 1.934 2.859 1.00 0.00 O ATOM 599 CB SER A 39 -4.870 3.904 3.800 1.00 0.00 C ATOM 600 OG SER A 39 -5.590 4.760 4.670 1.00 0.00 O ATOM 0 H SER A 39 -5.499 5.715 2.215 1.00 0.00 H new ATOM 0 HA SER A 39 -5.137 2.880 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.666 2.958 4.302 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.906 4.352 3.560 1.00 0.00 H new ATOM 0 HG SER A 39 -5.865 4.260 5.467 1.00 0.00 H new ATOM 606 N GLY A 40 -7.963 4.069 3.113 1.00 0.00 N ATOM 607 CA GLY A 40 -9.326 3.698 3.444 1.00 0.00 C ATOM 608 C GLY A 40 -10.010 2.942 2.322 1.00 0.00 C ATOM 609 O GLY A 40 -10.290 1.750 2.447 1.00 0.00 O ATOM 0 H GLY A 40 -7.782 5.073 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.323 3.083 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.898 4.597 3.674 1.00 0.00 H new ATOM 613 N ASP A 41 -10.281 3.637 1.222 1.00 0.00 N ATOM 614 CA ASP A 41 -10.937 3.024 0.073 1.00 0.00 C ATOM 615 C ASP A 41 -10.490 1.576 -0.100 1.00 0.00 C ATOM 616 O ASP A 41 -11.311 0.684 -0.310 1.00 0.00 O ATOM 617 CB ASP A 41 -10.635 3.820 -1.198 1.00 0.00 C ATOM 618 CG ASP A 41 -10.989 5.287 -1.060 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.447 5.946 -0.147 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.807 5.778 -1.865 1.00 0.00 O ATOM 0 H ASP A 41 -10.056 4.625 1.102 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.012 3.034 0.252 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.576 3.726 -1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.191 3.392 -2.032 1.00 0.00 H new ATOM 625 N MET A 42 -9.183 1.351 -0.010 1.00 0.00 N ATOM 626 CA MET A 42 -8.627 0.011 -0.157 1.00 0.00 C ATOM 627 C MET A 42 -9.406 -0.996 0.684 1.00 0.00 C ATOM 628 O MET A 42 -9.870 -2.016 0.175 1.00 0.00 O ATOM 629 CB MET A 42 -7.152 0.000 0.251 1.00 0.00 C ATOM 630 CG MET A 42 -6.208 0.382 -0.878 1.00 0.00 C ATOM 631 SD MET A 42 -6.402 -0.668 -2.331 1.00 0.00 S ATOM 632 CE MET A 42 -5.367 -2.060 -1.884 1.00 0.00 C ATOM 0 H MET A 42 -8.490 2.079 0.164 1.00 0.00 H new ATOM 0 HA MET A 42 -8.709 -0.276 -1.205 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.008 0.689 1.083 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.890 -0.995 0.612 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.385 1.420 -1.159 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.179 0.318 -0.523 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.746 -2.340 -2.735 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.729 -1.784 -1.045 1.00 0.00 H new ATOM 0 HE3 MET A 42 -5.995 -2.904 -1.600 1.00 0.00 H new ATOM 642 N MET A 43 -9.545 -0.702 1.973 1.00 0.00 N ATOM 643 CA MET A 43 -10.269 -1.582 2.883 1.00 0.00 C ATOM 644 C MET A 43 -11.604 -2.007 2.281 1.00 0.00 C ATOM 645 O MET A 43 -12.021 -3.157 2.421 1.00 0.00 O ATOM 646 CB MET A 43 -10.501 -0.884 4.225 1.00 0.00 C ATOM 647 CG MET A 43 -9.217 -0.450 4.913 1.00 0.00 C ATOM 648 SD MET A 43 -9.488 0.081 6.615 1.00 0.00 S ATOM 649 CE MET A 43 -9.625 -1.500 7.445 1.00 0.00 C ATOM 0 H MET A 43 -9.166 0.138 2.410 1.00 0.00 H new ATOM 0 HA MET A 43 -9.663 -2.474 3.045 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.132 -0.010 4.066 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.048 -1.557 4.885 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.506 -1.276 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.765 0.366 4.349 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.236 -1.413 8.459 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.672 -1.802 7.483 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.051 -2.249 6.899 1.00 0.00 H new ATOM 659 N ARG A 44 -12.271 -1.073 1.610 1.00 0.00 N ATOM 660 CA ARG A 44 -13.560 -1.352 0.988 1.00 0.00 C ATOM 661 C ARG A 44 -13.394 -2.279 -0.213 1.00 0.00 C ATOM 662 O ARG A 44 -14.140 -3.245 -0.370 1.00 0.00 O ATOM 663 CB ARG A 44 -14.232 -0.049 0.552 1.00 0.00 C ATOM 664 CG ARG A 44 -14.875 0.717 1.696 1.00 0.00 C ATOM 665 CD ARG A 44 -13.903 1.706 2.321 1.00 0.00 C ATOM 666 NE ARG A 44 -13.945 3.007 1.660 1.00 0.00 N ATOM 667 CZ ARG A 44 -13.602 4.145 2.254 1.00 0.00 C ATOM 668 NH1 ARG A 44 -13.194 4.141 3.515 1.00 0.00 N ATOM 669 NH2 ARG A 44 -13.667 5.289 1.586 1.00 0.00 N ATOM 0 H ARG A 44 -11.940 -0.117 1.483 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.191 -1.849 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.491 0.589 0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.992 -0.275 -0.196 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.753 1.250 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.221 0.016 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.140 1.829 3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.891 1.304 2.266 1.00 0.00 H new ATOM 0 HE ARG A 44 -14.255 3.044 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.143 3.263 4.032 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.931 5.016 3.969 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -13.981 5.296 0.615 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.403 6.162 2.043 1.00 0.00 H new ATOM 683 N GLU A 45 -12.413 -1.976 -1.057 1.00 0.00 N ATOM 684 CA GLU A 45 -12.152 -2.781 -2.244 1.00 0.00 C ATOM 685 C GLU A 45 -11.771 -4.208 -1.861 1.00 0.00 C ATOM 686 O GLU A 45 -12.445 -5.165 -2.242 1.00 0.00 O ATOM 687 CB GLU A 45 -11.036 -2.150 -3.080 1.00 0.00 C ATOM 688 CG GLU A 45 -11.104 -2.509 -4.555 1.00 0.00 C ATOM 689 CD GLU A 45 -10.038 -1.808 -5.375 1.00 0.00 C ATOM 690 OE1 GLU A 45 -9.010 -1.404 -4.792 1.00 0.00 O ATOM 691 OE2 GLU A 45 -10.232 -1.664 -6.601 1.00 0.00 O ATOM 0 H GLU A 45 -11.786 -1.180 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.066 -2.814 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.084 -1.066 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.072 -2.466 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.994 -3.587 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.088 -2.247 -4.944 1.00 0.00 H new ATOM 698 N ILE A 46 -10.685 -4.341 -1.105 1.00 0.00 N ATOM 699 CA ILE A 46 -10.214 -5.650 -0.670 1.00 0.00 C ATOM 700 C ILE A 46 -11.375 -6.530 -0.219 1.00 0.00 C ATOM 701 O ILE A 46 -11.575 -7.627 -0.741 1.00 0.00 O ATOM 702 CB ILE A 46 -9.199 -5.529 0.482 1.00 0.00 C ATOM 703 CG1 ILE A 46 -7.998 -4.687 0.045 1.00 0.00 C ATOM 704 CG2 ILE A 46 -8.748 -6.908 0.938 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.271 -4.029 1.197 1.00 0.00 C ATOM 0 H ILE A 46 -10.116 -3.559 -0.782 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.724 -6.110 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.683 -5.031 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.299 -5.321 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.337 -3.917 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.031 -6.805 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.611 -7.477 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.278 -7.431 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.432 -3.449 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.955 -3.369 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.901 -4.795 1.879 1.00 0.00 H new ATOM 717 N ARG A 47 -12.139 -6.040 0.752 1.00 0.00 N ATOM 718 CA ARG A 47 -13.281 -6.781 1.274 1.00 0.00 C ATOM 719 C ARG A 47 -14.235 -7.172 0.149 1.00 0.00 C ATOM 720 O ARG A 47 -14.734 -8.297 0.105 1.00 0.00 O ATOM 721 CB ARG A 47 -14.023 -5.948 2.320 1.00 0.00 C ATOM 722 CG ARG A 47 -13.282 -5.829 3.642 1.00 0.00 C ATOM 723 CD ARG A 47 -14.081 -5.029 4.658 1.00 0.00 C ATOM 724 NE ARG A 47 -14.159 -3.615 4.303 1.00 0.00 N ATOM 725 CZ ARG A 47 -14.368 -2.645 5.186 1.00 0.00 C ATOM 726 NH1 ARG A 47 -14.518 -2.936 6.471 1.00 0.00 N ATOM 727 NH2 ARG A 47 -14.426 -1.382 4.785 1.00 0.00 N ATOM 0 H ARG A 47 -11.988 -5.133 1.193 1.00 0.00 H new ATOM 0 HA ARG A 47 -12.907 -7.691 1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.197 -4.949 1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.001 -6.394 2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.080 -6.824 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.317 -5.350 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.088 -5.440 4.732 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.622 -5.131 5.641 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.047 -3.358 3.322 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.473 -3.906 6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.678 -2.190 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.310 -1.155 3.797 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.587 -0.638 5.464 1.00 0.00 H new ATOM 741 N LYS A 48 -14.486 -6.235 -0.760 1.00 0.00 N ATOM 742 CA LYS A 48 -15.379 -6.479 -1.886 1.00 0.00 C ATOM 743 C LYS A 48 -15.071 -7.820 -2.543 1.00 0.00 C ATOM 744 O LYS A 48 -15.953 -8.665 -2.696 1.00 0.00 O ATOM 745 CB LYS A 48 -15.255 -5.354 -2.915 1.00 0.00 C ATOM 746 CG LYS A 48 -16.331 -5.388 -3.986 1.00 0.00 C ATOM 747 CD LYS A 48 -15.987 -4.477 -5.153 1.00 0.00 C ATOM 748 CE LYS A 48 -14.898 -5.079 -6.028 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.707 -4.307 -7.286 1.00 0.00 N ATOM 0 H LYS A 48 -14.083 -5.298 -0.738 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.401 -6.506 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.298 -4.395 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.277 -5.416 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -16.455 -6.410 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.285 -5.083 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.880 -4.299 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.658 -3.509 -4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.960 -5.107 -5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.155 -6.110 -6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.957 -4.749 -7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.594 -4.302 -7.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.436 -3.330 -7.056 1.00 0.00 H new ATOM 763 N VAL A 49 -13.813 -8.010 -2.930 1.00 0.00 N ATOM 764 CA VAL A 49 -13.388 -9.250 -3.568 1.00 0.00 C ATOM 765 C VAL A 49 -13.713 -10.457 -2.696 1.00 0.00 C ATOM 766 O VAL A 49 -14.272 -11.447 -3.170 1.00 0.00 O ATOM 767 CB VAL A 49 -11.877 -9.238 -3.868 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.501 -10.410 -4.761 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.472 -7.918 -4.506 1.00 0.00 C ATOM 0 H VAL A 49 -13.071 -7.320 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.936 -9.327 -4.507 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.336 -9.341 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.430 -10.385 -4.962 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.755 -11.345 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.048 -10.341 -5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.402 -7.926 -4.711 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.019 -7.782 -5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.704 -7.099 -3.826 1.00 0.00 H new ATOM 779 N LEU A 50 -13.360 -10.369 -1.418 1.00 0.00 N ATOM 780 CA LEU A 50 -13.614 -11.454 -0.477 1.00 0.00 C ATOM 781 C LEU A 50 -15.054 -11.946 -0.590 1.00 0.00 C ATOM 782 O LEU A 50 -15.300 -13.101 -0.935 1.00 0.00 O ATOM 783 CB LEU A 50 -13.332 -10.992 0.953 1.00 0.00 C ATOM 784 CG LEU A 50 -11.980 -10.315 1.185 1.00 0.00 C ATOM 785 CD1 LEU A 50 -11.875 -9.809 2.616 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.842 -11.276 0.873 1.00 0.00 C ATOM 0 H LEU A 50 -12.897 -9.557 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.946 -12.280 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.119 -10.299 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.401 -11.857 1.613 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.903 -9.461 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.907 -9.330 2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.669 -9.087 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.974 -10.647 3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.888 -10.778 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.916 -12.150 1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.906 -11.590 -0.169 1.00 0.00 H new ATOM 798 N GLY A 51 -16.001 -11.060 -0.298 1.00 0.00 N ATOM 799 CA GLY A 51 -17.405 -11.423 -0.374 1.00 0.00 C ATOM 800 C GLY A 51 -17.732 -12.214 -1.625 1.00 0.00 C ATOM 801 O GLY A 51 -18.498 -13.175 -1.577 1.00 0.00 O ATOM 0 H GLY A 51 -15.822 -10.098 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.673 -12.010 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.013 -10.519 -0.350 1.00 0.00 H new ATOM 805 N ALA A 52 -17.150 -11.808 -2.749 1.00 0.00 N ATOM 806 CA ALA A 52 -17.384 -12.485 -4.018 1.00 0.00 C ATOM 807 C ALA A 52 -16.936 -13.941 -3.954 1.00 0.00 C ATOM 808 O ALA A 52 -17.606 -14.831 -4.476 1.00 0.00 O ATOM 809 CB ALA A 52 -16.665 -11.759 -5.145 1.00 0.00 C ATOM 0 H ALA A 52 -16.513 -11.013 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.456 -12.470 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.849 -12.276 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.036 -10.736 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.594 -11.743 -4.943 1.00 0.00 H new ATOM 815 N ASN A 53 -15.797 -14.177 -3.310 1.00 0.00 N ATOM 816 CA ASN A 53 -15.258 -15.526 -3.179 1.00 0.00 C ATOM 817 C ASN A 53 -15.642 -16.137 -1.834 1.00 0.00 C ATOM 818 O ASN A 53 -14.824 -16.776 -1.175 1.00 0.00 O ATOM 819 CB ASN A 53 -13.736 -15.506 -3.326 1.00 0.00 C ATOM 820 CG ASN A 53 -13.295 -15.525 -4.777 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.828 -16.546 -5.283 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.442 -14.392 -5.455 1.00 0.00 N ATOM 0 H ASN A 53 -15.230 -13.452 -2.871 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.685 -16.140 -3.972 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.338 -14.615 -2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.312 -16.367 -2.809 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.163 -14.344 -6.435 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.834 -13.570 -4.996 1.00 0.00 H new ATOM 829 N ASN A 54 -16.894 -15.935 -1.435 1.00 0.00 N ATOM 830 CA ASN A 54 -17.387 -16.465 -0.169 1.00 0.00 C ATOM 831 C ASN A 54 -16.314 -16.379 0.912 1.00 0.00 C ATOM 832 O ASN A 54 -16.147 -17.301 1.711 1.00 0.00 O ATOM 833 CB ASN A 54 -17.837 -17.918 -0.342 1.00 0.00 C ATOM 834 CG ASN A 54 -18.696 -18.114 -1.576 1.00 0.00 C ATOM 835 OD1 ASN A 54 -19.819 -17.616 -1.649 1.00 0.00 O ATOM 836 ND2 ASN A 54 -18.171 -18.844 -2.552 1.00 0.00 N ATOM 0 H ASN A 54 -17.585 -15.409 -1.970 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.240 -15.861 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.960 -18.562 -0.407 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.396 -18.230 0.540 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.703 -19.012 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.236 -19.237 -2.448 1.00 0.00 H new ATOM 843 N CYS A 55 -15.591 -15.265 0.931 1.00 0.00 N ATOM 844 CA CYS A 55 -14.533 -15.057 1.914 1.00 0.00 C ATOM 845 C CYS A 55 -15.011 -14.149 3.043 1.00 0.00 C ATOM 846 O CYS A 55 -15.459 -13.028 2.804 1.00 0.00 O ATOM 847 CB CYS A 55 -13.298 -14.452 1.245 1.00 0.00 C ATOM 848 SG CYS A 55 -12.369 -15.616 0.221 1.00 0.00 S ATOM 0 H CYS A 55 -15.718 -14.492 0.278 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.269 -16.026 2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.609 -13.609 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.638 -14.056 2.016 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.193 -16.293 -0.523 1.00 0.00 H new ATOM 854 N ASP A 56 -14.914 -14.643 4.273 1.00 0.00 N ATOM 855 CA ASP A 56 -15.337 -13.877 5.440 1.00 0.00 C ATOM 856 C ASP A 56 -14.194 -13.016 5.968 1.00 0.00 C ATOM 857 O ASP A 56 -13.066 -13.487 6.117 1.00 0.00 O ATOM 858 CB ASP A 56 -15.836 -14.816 6.539 1.00 0.00 C ATOM 859 CG ASP A 56 -16.747 -15.903 6.003 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.973 -15.672 5.939 1.00 0.00 O ATOM 861 OD2 ASP A 56 -16.234 -16.984 5.648 1.00 0.00 O ATOM 0 H ASP A 56 -14.546 -15.570 4.487 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.152 -13.220 5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.981 -15.275 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.370 -14.237 7.292 1.00 0.00 H new ATOM 866 N TYR A 57 -14.493 -11.752 6.249 1.00 0.00 N ATOM 867 CA TYR A 57 -13.490 -10.825 6.757 1.00 0.00 C ATOM 868 C TYR A 57 -13.914 -10.248 8.104 1.00 0.00 C ATOM 869 O TYR A 57 -15.090 -9.961 8.326 1.00 0.00 O ATOM 870 CB TYR A 57 -13.258 -9.692 5.755 1.00 0.00 C ATOM 871 CG TYR A 57 -14.535 -9.068 5.241 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.200 -9.603 4.145 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.077 -7.943 5.851 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.367 -9.035 3.671 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.244 -7.370 5.385 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.885 -7.919 4.294 1.00 0.00 C ATOM 877 OH TYR A 57 -18.048 -7.352 3.826 1.00 0.00 O ATOM 0 H TYR A 57 -15.422 -11.347 6.133 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.560 -11.376 6.895 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.650 -8.920 6.227 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.686 -10.076 4.911 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.798 -10.478 3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.577 -7.509 6.704 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.871 -9.463 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.652 -6.497 5.872 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.277 -6.574 4.377 1.00 0.00 H new ATOM 887 N GLU A 58 -12.946 -10.081 9.000 1.00 0.00 N ATOM 888 CA GLU A 58 -13.219 -9.538 10.326 1.00 0.00 C ATOM 889 C GLU A 58 -12.264 -8.393 10.653 1.00 0.00 C ATOM 890 O GLU A 58 -11.067 -8.606 10.842 1.00 0.00 O ATOM 891 CB GLU A 58 -13.098 -10.636 11.385 1.00 0.00 C ATOM 892 CG GLU A 58 -13.336 -10.143 12.802 1.00 0.00 C ATOM 893 CD GLU A 58 -14.803 -10.158 13.186 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.523 -9.206 12.820 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.232 -11.124 13.853 1.00 0.00 O ATOM 0 H GLU A 58 -11.967 -10.314 8.832 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.238 -9.150 10.329 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.813 -11.427 11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.104 -11.079 11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.776 -10.766 13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.949 -9.129 12.900 1.00 0.00 H new ATOM 902 N GLN A 59 -12.804 -7.180 10.716 1.00 0.00 N ATOM 903 CA GLN A 59 -12.000 -6.002 11.018 1.00 0.00 C ATOM 904 C GLN A 59 -11.618 -5.968 12.494 1.00 0.00 C ATOM 905 O GLN A 59 -12.482 -5.872 13.366 1.00 0.00 O ATOM 906 CB GLN A 59 -12.763 -4.729 10.646 1.00 0.00 C ATOM 907 CG GLN A 59 -11.861 -3.583 10.219 1.00 0.00 C ATOM 908 CD GLN A 59 -12.478 -2.224 10.488 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.689 -2.105 10.676 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.646 -1.189 10.507 1.00 0.00 N ATOM 0 H GLN A 59 -13.794 -6.988 10.562 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.086 -6.055 10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.457 -4.955 9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.361 -4.411 11.500 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.910 -3.657 10.747 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.642 -3.675 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.649 -1.333 10.346 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.004 -0.250 10.682 1.00 0.00 H new ATOM 919 N ARG A 60 -10.320 -6.047 12.767 1.00 0.00 N ATOM 920 CA ARG A 60 -9.824 -6.026 14.137 1.00 0.00 C ATOM 921 C ARG A 60 -9.455 -4.607 14.561 1.00 0.00 C ATOM 922 O ARG A 60 -9.942 -4.105 15.573 1.00 0.00 O ATOM 923 CB ARG A 60 -8.608 -6.944 14.277 1.00 0.00 C ATOM 924 CG ARG A 60 -8.926 -8.413 14.054 1.00 0.00 C ATOM 925 CD ARG A 60 -9.594 -9.030 15.273 1.00 0.00 C ATOM 926 NE ARG A 60 -10.089 -10.377 15.004 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.482 -11.219 15.953 1.00 0.00 C ATOM 928 NH1 ARG A 60 -10.438 -10.855 17.227 1.00 0.00 N ATOM 929 NH2 ARG A 60 -10.920 -12.429 15.628 1.00 0.00 N ATOM 0 H ARG A 60 -9.592 -6.126 12.057 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.619 -6.386 14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.845 -6.634 13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.182 -6.820 15.273 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.579 -8.517 13.188 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.008 -8.955 13.828 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.882 -9.064 16.098 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.422 -8.397 15.592 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.136 -10.689 14.034 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.102 -9.926 17.481 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.741 -11.504 17.954 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.955 -12.713 14.649 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.222 -13.075 16.357 1.00 0.00 H new ATOM 943 N GLU A 61 -8.592 -3.967 13.779 1.00 0.00 N ATOM 944 CA GLU A 61 -8.157 -2.607 14.074 1.00 0.00 C ATOM 945 C GLU A 61 -8.690 -1.627 13.033 1.00 0.00 C ATOM 946 O GLU A 61 -9.478 -1.998 12.162 1.00 0.00 O ATOM 947 CB GLU A 61 -6.629 -2.535 14.122 1.00 0.00 C ATOM 948 CG GLU A 61 -5.997 -3.601 15.002 1.00 0.00 C ATOM 949 CD GLU A 61 -5.938 -3.192 16.461 1.00 0.00 C ATOM 950 OE1 GLU A 61 -5.537 -2.043 16.741 1.00 0.00 O ATOM 951 OE2 GLU A 61 -6.294 -4.023 17.324 1.00 0.00 O ATOM 0 H GLU A 61 -8.180 -4.368 12.936 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.558 -2.329 15.049 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.237 -2.632 13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.331 -1.552 14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.565 -4.527 14.911 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.988 -3.810 14.646 1.00 0.00 H new ATOM 958 N ARG A 62 -8.256 -0.375 13.131 1.00 0.00 N ATOM 959 CA ARG A 62 -8.691 0.659 12.200 1.00 0.00 C ATOM 960 C ARG A 62 -8.225 0.345 10.781 1.00 0.00 C ATOM 961 O ARG A 62 -8.979 0.500 9.820 1.00 0.00 O ATOM 962 CB ARG A 62 -8.155 2.025 12.634 1.00 0.00 C ATOM 963 CG ARG A 62 -6.637 2.104 12.653 1.00 0.00 C ATOM 964 CD ARG A 62 -6.157 3.522 12.922 1.00 0.00 C ATOM 965 NE ARG A 62 -5.988 3.781 14.349 1.00 0.00 N ATOM 966 CZ ARG A 62 -5.705 4.978 14.850 1.00 0.00 C ATOM 967 NH1 ARG A 62 -5.559 6.020 14.044 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.566 5.135 16.161 1.00 0.00 N ATOM 0 H ARG A 62 -7.604 -0.052 13.846 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.781 0.685 12.209 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.542 2.789 11.960 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.535 2.256 13.629 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.246 1.435 13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.242 1.760 11.697 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.210 3.687 12.409 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.873 4.232 12.507 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.093 3.000 14.997 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.664 5.904 13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.342 6.938 14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.677 4.336 16.785 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.349 6.055 16.544 1.00 0.00 H new ATOM 982 N PHE A 63 -6.978 -0.098 10.658 1.00 0.00 N ATOM 983 CA PHE A 63 -6.411 -0.433 9.358 1.00 0.00 C ATOM 984 C PHE A 63 -5.976 -1.895 9.314 1.00 0.00 C ATOM 985 O PHE A 63 -4.929 -2.227 8.757 1.00 0.00 O ATOM 986 CB PHE A 63 -5.218 0.475 9.049 1.00 0.00 C ATOM 987 CG PHE A 63 -5.596 1.914 8.846 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.384 2.292 7.771 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.165 2.889 9.732 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.733 3.616 7.582 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.512 4.214 9.548 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.297 4.578 8.472 1.00 0.00 C ATOM 0 H PHE A 63 -6.341 -0.233 11.443 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.182 -0.279 8.603 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.500 0.408 9.866 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.716 0.110 8.153 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.729 1.544 7.073 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.551 2.610 10.576 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.346 3.898 6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.169 4.964 10.245 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.570 5.613 8.327 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.788 -2.765 9.905 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.489 -4.192 9.935 1.00 0.00 C ATOM 1004 C LEU A 64 -7.741 -5.017 9.656 1.00 0.00 C ATOM 1005 O LEU A 64 -8.815 -4.735 10.189 1.00 0.00 O ATOM 1006 CB LEU A 64 -5.900 -4.581 11.292 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.584 -6.065 11.486 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.512 -6.515 10.505 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.146 -6.334 12.918 1.00 0.00 C ATOM 0 H LEU A 64 -7.658 -2.507 10.370 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.757 -4.401 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.983 -4.012 11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.599 -4.274 12.070 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.490 -6.639 11.291 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.300 -7.573 10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.863 -6.359 9.485 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.603 -5.936 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.925 -7.395 13.038 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.253 -5.750 13.141 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.945 -6.050 13.602 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.596 -6.038 8.819 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.715 -6.907 8.470 1.00 0.00 C ATOM 1023 C LEU A 65 -8.288 -8.371 8.468 1.00 0.00 C ATOM 1024 O LEU A 65 -7.225 -8.718 7.951 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.275 -6.525 7.099 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.071 -5.221 7.039 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -9.958 -4.589 5.660 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.530 -5.471 7.394 1.00 0.00 C ATOM 0 H LEU A 65 -6.714 -6.285 8.369 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.493 -6.776 9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.444 -6.453 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.916 -7.335 6.752 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.652 -4.528 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.531 -3.662 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.912 -4.374 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.350 -5.277 4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.082 -4.532 7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.960 -6.181 6.687 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.594 -5.879 8.403 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.123 -9.227 9.048 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.833 -10.654 9.111 1.00 0.00 C ATOM 1042 C PHE A 66 -9.585 -11.412 8.021 1.00 0.00 C ATOM 1043 O PHE A 66 -10.778 -11.687 8.151 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.208 -11.212 10.486 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.623 -12.567 10.763 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -8.949 -13.653 9.967 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -7.748 -12.755 11.821 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.412 -14.902 10.219 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.208 -14.001 12.077 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.541 -15.076 11.276 1.00 0.00 C ATOM 0 H PHE A 66 -10.006 -8.957 9.481 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.763 -10.788 8.950 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.873 -10.516 11.255 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.294 -11.272 10.561 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.631 -13.522 9.140 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.485 -11.919 12.452 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.673 -15.740 9.590 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.526 -14.134 12.903 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.121 -16.051 11.476 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.879 -11.745 6.946 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.479 -12.469 5.831 1.00 0.00 C ATOM 1062 C CYS A 67 -9.360 -13.976 6.035 1.00 0.00 C ATOM 1063 O CYS A 67 -8.354 -14.466 6.548 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.812 -12.066 4.516 1.00 0.00 C ATOM 1065 SG CYS A 67 -9.001 -10.316 4.098 1.00 0.00 S ATOM 0 H CYS A 67 -7.891 -11.525 6.823 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.537 -12.209 5.788 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.749 -12.302 4.573 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.230 -12.668 3.709 1.00 0.00 H new ATOM 0 HG CYS A 67 -9.088 -9.616 5.190 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.395 -14.706 5.630 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.407 -16.157 5.769 1.00 0.00 C ATOM 1073 C VAL A 68 -11.190 -16.811 4.636 1.00 0.00 C ATOM 1074 O VAL A 68 -12.265 -16.343 4.259 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.018 -16.588 7.115 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.467 -16.135 7.214 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.909 -18.095 7.292 1.00 0.00 C ATOM 0 H VAL A 68 -11.235 -14.316 5.203 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.369 -16.487 5.728 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.457 -16.109 7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.882 -16.449 8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.515 -15.049 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.044 -16.582 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.346 -18.382 8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.443 -18.596 6.485 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.860 -18.389 7.270 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.645 -17.896 4.096 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.293 -18.616 3.006 1.00 0.00 C ATOM 1089 C HIS A 69 -11.730 -20.007 3.456 1.00 0.00 C ATOM 1090 O HIS A 69 -10.920 -20.931 3.524 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.349 -18.728 1.808 1.00 0.00 C ATOM 1092 CG HIS A 69 -10.917 -19.520 0.670 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -11.855 -19.197 -0.251 1.00 0.00 N flip ATOM 1094 CD2 HIS A 69 -10.524 -20.809 0.380 1.00 0.00 C flip ATOM 1095 CE1 HIS A 69 -12.009 -20.286 -1.074 1.00 0.00 C flip ATOM 1096 NE2 HIS A 69 -11.194 -21.245 -0.672 1.00 0.00 N flip ATOM 0 H HIS A 69 -9.756 -18.296 4.396 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.179 -18.055 2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.102 -17.727 1.455 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.417 -19.191 2.132 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -12.354 -18.310 -0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.784 -21.374 0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -12.686 -20.348 -1.913 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.015 -20.148 3.765 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.537 -21.428 4.206 1.00 0.00 C ATOM 1107 C GLY A 70 -14.469 -22.056 3.189 1.00 0.00 C ATOM 1108 O GLY A 70 -15.687 -22.055 3.370 1.00 0.00 O ATOM 0 H GLY A 70 -13.705 -19.398 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.707 -22.107 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.069 -21.295 5.148 1.00 0.00 H new ATOM 1112 N ASP A 71 -13.897 -22.592 2.116 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.686 -23.226 1.066 1.00 0.00 C ATOM 1114 C ASP A 71 -15.907 -23.927 1.652 1.00 0.00 C ATOM 1115 O ASP A 71 -16.995 -23.884 1.078 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.829 -24.229 0.291 1.00 0.00 C ATOM 1117 CG ASP A 71 -13.131 -23.598 -0.897 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -13.599 -22.540 -1.367 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -12.116 -24.162 -1.358 1.00 0.00 O ATOM 0 H ASP A 71 -12.891 -22.600 1.951 1.00 0.00 H new ATOM 0 HA ASP A 71 -15.029 -22.449 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.084 -24.659 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.458 -25.049 -0.055 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.720 -24.573 2.798 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.815 -25.275 3.442 1.00 0.00 C ATOM 1126 C GLY A 72 -16.413 -25.882 4.771 1.00 0.00 C ATOM 1127 O GLY A 72 -17.199 -25.896 5.719 1.00 0.00 O ATOM 0 H GLY A 72 -14.829 -24.623 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.644 -24.584 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.176 -26.063 2.781 1.00 0.00 H new ATOM 1131 N HIS A 73 -15.186 -26.387 4.843 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.681 -27.000 6.066 1.00 0.00 C ATOM 1133 C HIS A 73 -13.257 -26.536 6.359 1.00 0.00 C ATOM 1134 O HIS A 73 -12.421 -26.461 5.459 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.720 -28.524 5.953 1.00 0.00 C ATOM 1136 CG HIS A 73 -16.092 -29.102 6.118 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -17.213 -28.578 6.667 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -16.431 -30.370 5.694 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -18.199 -29.529 6.564 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -17.701 -30.600 5.973 1.00 0.00 N flip ATOM 0 H HIS A 73 -14.523 -26.384 4.068 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.323 -26.688 6.890 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.325 -28.818 4.980 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -14.061 -28.953 6.708 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -17.308 -27.650 7.080 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.762 -31.066 5.210 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -19.216 -29.419 6.910 1.00 0.00 H new ATOM 1149 N ALA A 74 -12.989 -26.226 7.623 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.666 -25.771 8.034 1.00 0.00 C ATOM 1151 C ALA A 74 -10.572 -26.630 7.410 1.00 0.00 C ATOM 1152 O ALA A 74 -9.457 -26.162 7.184 1.00 0.00 O ATOM 1153 CB ALA A 74 -11.551 -25.785 9.551 1.00 0.00 C ATOM 0 H ALA A 74 -13.670 -26.282 8.380 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.534 -24.748 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.558 -25.443 9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.304 -25.123 9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.708 -26.799 9.918 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.899 -27.889 7.136 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.941 -28.813 6.540 1.00 0.00 C ATOM 1161 C GLU A 75 -9.169 -28.142 5.408 1.00 0.00 C ATOM 1162 O GLU A 75 -7.945 -28.241 5.333 1.00 0.00 O ATOM 1163 CB GLU A 75 -10.660 -30.057 6.013 1.00 0.00 C ATOM 1164 CG GLU A 75 -11.279 -30.912 7.107 1.00 0.00 C ATOM 1165 CD GLU A 75 -12.010 -32.121 6.558 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -13.080 -31.937 5.941 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -11.514 -33.251 6.747 1.00 0.00 O ATOM 0 H GLU A 75 -11.818 -28.292 7.317 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.233 -29.110 7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.442 -29.748 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.952 -30.663 5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.497 -31.244 7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.973 -30.305 7.688 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.894 -27.458 4.529 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.278 -26.770 3.400 1.00 0.00 C ATOM 1176 C ASN A 76 -9.480 -25.262 3.505 1.00 0.00 C ATOM 1177 O ASN A 76 -9.637 -24.573 2.496 1.00 0.00 O ATOM 1178 CB ASN A 76 -9.862 -27.284 2.082 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.378 -27.275 2.080 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -11.976 -28.125 2.906 1.00 0.00 O flip ATOM 1181 ND2 ASN A 76 -12.004 -26.512 1.343 1.00 0.00 N flip ATOM 0 H ASN A 76 -10.909 -27.365 4.577 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.208 -26.977 3.421 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.496 -26.668 1.261 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.507 -28.299 1.901 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.502 -25.875 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.024 -26.517 1.352 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.476 -24.754 4.733 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.659 -23.327 4.971 1.00 0.00 C ATOM 1190 C LEU A 77 -8.314 -22.622 5.114 1.00 0.00 C ATOM 1191 O LEU A 77 -7.308 -23.244 5.457 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.501 -23.103 6.228 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.733 -21.646 6.630 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.143 -21.459 7.170 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -9.703 -21.206 7.660 1.00 0.00 C ATOM 0 H LEU A 77 -9.348 -25.309 5.579 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.180 -22.905 4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.471 -23.577 6.080 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.019 -23.616 7.060 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.620 -21.022 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.290 -20.416 7.451 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.866 -21.733 6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.285 -22.094 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.884 -20.167 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.784 -21.835 8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.703 -21.301 7.238 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.303 -21.319 4.851 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.083 -20.528 4.953 1.00 0.00 C ATOM 1209 C VAL A 78 -7.338 -19.216 5.686 1.00 0.00 C ATOM 1210 O VAL A 78 -8.250 -18.467 5.338 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.494 -20.221 3.563 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.274 -19.322 3.687 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.145 -21.511 2.836 1.00 0.00 C ATOM 0 H VAL A 78 -9.126 -20.789 4.565 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.367 -21.124 5.519 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.246 -19.693 2.977 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.872 -19.116 2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.560 -18.385 4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.515 -19.820 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.730 -21.276 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.410 -22.068 3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.044 -22.115 2.714 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.525 -18.944 6.702 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.664 -17.722 7.484 1.00 0.00 C ATOM 1225 C GLN A 79 -5.494 -16.776 7.229 1.00 0.00 C ATOM 1226 O GLN A 79 -4.335 -17.141 7.422 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.751 -18.052 8.975 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.016 -18.802 9.359 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.828 -19.674 10.585 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -8.552 -20.786 10.637 1.00 0.00 O flip ATOM 1231 NE2 GLN A 79 -7.041 -19.352 11.476 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.764 -19.553 7.002 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.584 -17.226 7.174 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.884 -18.650 9.258 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.700 -17.126 9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.816 -18.086 9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.334 -19.423 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.505 -18.488 11.395 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.926 -19.949 12.295 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.807 -15.561 6.793 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.782 -14.563 6.510 1.00 0.00 C ATOM 1242 C TRP A 80 -5.285 -13.160 6.829 1.00 0.00 C ATOM 1243 O TRP A 80 -6.364 -12.764 6.391 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.353 -14.644 5.044 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.321 -13.987 4.106 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.296 -12.691 3.678 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.456 -14.596 3.481 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.348 -12.457 2.825 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -7.074 -13.610 2.688 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.010 -15.879 3.514 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.217 -13.868 1.936 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.145 -16.134 2.767 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.738 -15.133 1.986 1.00 0.00 C ATOM 0 H TRP A 80 -6.762 -15.243 6.628 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.921 -14.773 7.145 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.375 -14.176 4.932 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.239 -15.691 4.763 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.558 -11.957 3.967 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.554 -11.569 2.368 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.559 -16.657 4.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.676 -13.097 1.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.582 -17.121 2.786 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.623 -15.364 1.412 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.495 -12.413 7.595 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.863 -11.053 7.972 1.00 0.00 C ATOM 1266 C GLU A 81 -4.429 -10.055 6.902 1.00 0.00 C ATOM 1267 O GLU A 81 -3.242 -9.925 6.605 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.231 -10.684 9.316 1.00 0.00 C ATOM 1269 CG GLU A 81 -5.082 -11.067 10.515 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.399 -10.768 11.835 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.295 -11.306 12.066 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.966 -9.998 12.637 1.00 0.00 O ATOM 0 H GLU A 81 -3.598 -12.726 7.966 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.948 -11.010 8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.261 -11.174 9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.048 -9.610 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.029 -10.529 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.317 -12.130 10.464 1.00 0.00 H new ATOM 1279 N MET A 82 -5.400 -9.353 6.328 1.00 0.00 N ATOM 1280 CA MET A 82 -5.119 -8.367 5.291 1.00 0.00 C ATOM 1281 C MET A 82 -4.974 -6.972 5.893 1.00 0.00 C ATOM 1282 O MET A 82 -5.965 -6.284 6.133 1.00 0.00 O ATOM 1283 CB MET A 82 -6.231 -8.368 4.241 1.00 0.00 C ATOM 1284 CG MET A 82 -6.021 -9.389 3.135 1.00 0.00 C ATOM 1285 SD MET A 82 -4.841 -8.832 1.890 1.00 0.00 S ATOM 1286 CE MET A 82 -5.949 -8.220 0.623 1.00 0.00 C ATOM 0 H MET A 82 -6.388 -9.448 6.563 1.00 0.00 H new ATOM 0 HA MET A 82 -4.178 -8.638 4.813 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.183 -8.567 4.732 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.303 -7.374 3.798 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.669 -10.324 3.571 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.977 -9.601 2.655 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.477 -8.324 -0.354 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.875 -8.794 0.641 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.170 -7.169 0.809 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.732 -6.563 6.135 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.459 -5.252 6.710 1.00 0.00 C ATOM 1298 C GLU A 83 -3.052 -4.257 5.626 1.00 0.00 C ATOM 1299 O GLU A 83 -2.283 -4.586 4.723 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.356 -5.352 7.766 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.777 -4.008 8.171 1.00 0.00 C ATOM 1302 CD GLU A 83 -2.643 -3.280 9.180 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -3.378 -3.956 9.930 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -2.586 -2.033 9.220 1.00 0.00 O ATOM 0 H GLU A 83 -2.900 -7.121 5.942 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.373 -4.894 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.756 -5.847 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.554 -5.983 7.383 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.783 -4.157 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.658 -3.386 7.284 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.574 -3.038 5.724 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.265 -1.994 4.754 1.00 0.00 C ATOM 1313 C VAL A 84 -2.043 -1.190 5.182 1.00 0.00 C ATOM 1314 O VAL A 84 -2.154 -0.238 5.956 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.456 -1.036 4.562 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -4.098 0.071 3.582 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.684 -1.800 4.091 1.00 0.00 C ATOM 0 H VAL A 84 -4.213 -2.749 6.465 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.054 -2.493 3.808 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.689 -0.577 5.523 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.951 0.738 3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.248 0.636 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.837 -0.366 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.516 -1.107 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.466 -2.289 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.951 -2.552 4.833 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.879 -1.577 4.674 1.00 0.00 N ATOM 1328 CA CYS A 85 0.366 -0.892 5.004 1.00 0.00 C ATOM 1329 C CYS A 85 0.705 0.157 3.950 1.00 0.00 C ATOM 1330 O CYS A 85 0.213 0.102 2.823 1.00 0.00 O ATOM 1331 CB CYS A 85 1.510 -1.899 5.126 1.00 0.00 C ATOM 1332 SG CYS A 85 2.875 -1.343 6.174 1.00 0.00 S ATOM 0 H CYS A 85 -0.771 -2.362 4.032 1.00 0.00 H new ATOM 0 HA CYS A 85 0.232 -0.389 5.961 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.116 -2.833 5.526 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.896 -2.116 4.130 1.00 0.00 H new ATOM 0 HG CYS A 85 3.024 -2.169 7.167 1.00 0.00 H new ATOM 1338 N LYS A 86 1.548 1.113 4.325 1.00 0.00 N ATOM 1339 CA LYS A 86 1.954 2.176 3.413 1.00 0.00 C ATOM 1340 C LYS A 86 3.407 2.000 2.984 1.00 0.00 C ATOM 1341 O LYS A 86 4.243 1.538 3.763 1.00 0.00 O ATOM 1342 CB LYS A 86 1.769 3.543 4.076 1.00 0.00 C ATOM 1343 CG LYS A 86 2.842 3.872 5.100 1.00 0.00 C ATOM 1344 CD LYS A 86 2.479 3.343 6.477 1.00 0.00 C ATOM 1345 CE LYS A 86 3.305 4.011 7.566 1.00 0.00 C ATOM 1346 NZ LYS A 86 2.830 3.641 8.928 1.00 0.00 N ATOM 0 H LYS A 86 1.964 1.174 5.255 1.00 0.00 H new ATOM 0 HA LYS A 86 1.323 2.120 2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.765 4.314 3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.794 3.573 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.792 3.443 4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.981 4.952 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.419 3.514 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.638 2.265 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.351 3.724 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.257 5.093 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.418 4.116 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.840 3.937 9.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.900 2.611 9.052 1.00 0.00 H new ATOM 1360 N LEU A 87 3.703 2.371 1.743 1.00 0.00 N ATOM 1361 CA LEU A 87 5.056 2.255 1.212 1.00 0.00 C ATOM 1362 C LEU A 87 5.767 3.605 1.234 1.00 0.00 C ATOM 1363 O LEU A 87 5.140 4.664 1.248 1.00 0.00 O ATOM 1364 CB LEU A 87 5.019 1.709 -0.217 1.00 0.00 C ATOM 1365 CG LEU A 87 4.690 0.222 -0.358 1.00 0.00 C ATOM 1366 CD1 LEU A 87 4.587 -0.164 -1.825 1.00 0.00 C ATOM 1367 CD2 LEU A 87 5.740 -0.625 0.346 1.00 0.00 C ATOM 0 H LEU A 87 3.024 2.755 1.086 1.00 0.00 H new ATOM 0 HA LEU A 87 5.610 1.562 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.283 2.279 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.989 1.892 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 87 3.725 0.036 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.352 -1.225 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.798 0.419 -2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.536 0.037 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.490 -1.680 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.718 -0.435 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.765 -0.367 1.405 1.00 0.00 H new ATOM 1379 N PRO A 88 7.108 3.568 1.234 1.00 0.00 N ATOM 1380 CA PRO A 88 7.933 4.779 1.252 1.00 0.00 C ATOM 1381 C PRO A 88 7.857 5.551 -0.062 1.00 0.00 C ATOM 1382 O PRO A 88 8.685 6.422 -0.329 1.00 0.00 O ATOM 1383 CB PRO A 88 9.348 4.241 1.474 1.00 0.00 C ATOM 1384 CG PRO A 88 9.311 2.847 0.949 1.00 0.00 C ATOM 1385 CD PRO A 88 7.921 2.340 1.218 1.00 0.00 C ATOM 0 HA PRO A 88 7.606 5.484 2.016 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.088 4.843 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.617 4.259 2.530 1.00 0.00 H new ATOM 0 HG2 PRO A 88 9.535 2.826 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.056 2.224 1.443 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.589 1.648 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.864 1.808 2.167 1.00 0.00 H new ATOM 1393 N ARG A 89 6.859 5.226 -0.877 1.00 0.00 N ATOM 1394 CA ARG A 89 6.677 5.888 -2.163 1.00 0.00 C ATOM 1395 C ARG A 89 5.202 6.192 -2.413 1.00 0.00 C ATOM 1396 O ARG A 89 4.405 5.288 -2.666 1.00 0.00 O ATOM 1397 CB ARG A 89 7.228 5.017 -3.293 1.00 0.00 C ATOM 1398 CG ARG A 89 8.691 5.281 -3.608 1.00 0.00 C ATOM 1399 CD ARG A 89 9.306 4.139 -4.400 1.00 0.00 C ATOM 1400 NE ARG A 89 10.637 4.473 -4.900 1.00 0.00 N ATOM 1401 CZ ARG A 89 11.554 3.564 -5.213 1.00 0.00 C ATOM 1402 NH1 ARG A 89 11.285 2.273 -5.079 1.00 0.00 N ATOM 1403 NH2 ARG A 89 12.743 3.947 -5.661 1.00 0.00 N ATOM 0 H ARG A 89 6.164 4.509 -0.670 1.00 0.00 H new ATOM 0 HA ARG A 89 7.226 6.829 -2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.107 3.968 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.635 5.186 -4.192 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.781 6.208 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.245 5.421 -2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.368 3.253 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 89 8.656 3.888 -5.239 1.00 0.00 H new ATOM 0 HE ARG A 89 10.876 5.458 -5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.372 1.975 -4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.991 1.577 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.953 4.940 -5.765 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.447 3.249 -5.901 1.00 0.00 H new ATOM 1417 N LEU A 90 4.846 7.470 -2.340 1.00 0.00 N ATOM 1418 CA LEU A 90 3.468 7.894 -2.559 1.00 0.00 C ATOM 1419 C LEU A 90 2.783 7.006 -3.593 1.00 0.00 C ATOM 1420 O LEU A 90 1.570 6.801 -3.543 1.00 0.00 O ATOM 1421 CB LEU A 90 3.428 9.353 -3.015 1.00 0.00 C ATOM 1422 CG LEU A 90 3.530 10.405 -1.911 1.00 0.00 C ATOM 1423 CD1 LEU A 90 2.393 10.244 -0.913 1.00 0.00 C ATOM 1424 CD2 LEU A 90 4.876 10.312 -1.208 1.00 0.00 C ATOM 0 H LEU A 90 5.493 8.230 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 90 2.931 7.801 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.244 9.515 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.499 9.517 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 90 3.449 11.391 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.482 11.002 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.439 10.362 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.442 9.253 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.931 11.069 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.987 9.322 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.676 10.478 -1.930 1.00 0.00 H new ATOM 1436 N SER A 91 3.568 6.481 -4.528 1.00 0.00 N ATOM 1437 CA SER A 91 3.037 5.616 -5.575 1.00 0.00 C ATOM 1438 C SER A 91 1.809 4.857 -5.082 1.00 0.00 C ATOM 1439 O SER A 91 0.784 4.801 -5.763 1.00 0.00 O ATOM 1440 CB SER A 91 4.108 4.628 -6.042 1.00 0.00 C ATOM 1441 OG SER A 91 3.554 3.642 -6.895 1.00 0.00 O ATOM 0 H SER A 91 4.574 6.640 -4.582 1.00 0.00 H new ATOM 0 HA SER A 91 2.741 6.244 -6.415 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.899 5.165 -6.567 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.567 4.149 -5.177 1.00 0.00 H new ATOM 0 HG SER A 91 4.258 3.024 -7.181 1.00 0.00 H new ATOM 1447 N LEU A 92 1.919 4.275 -3.893 1.00 0.00 N ATOM 1448 CA LEU A 92 0.818 3.518 -3.307 1.00 0.00 C ATOM 1449 C LEU A 92 1.171 3.044 -1.901 1.00 0.00 C ATOM 1450 O LEU A 92 2.319 3.149 -1.470 1.00 0.00 O ATOM 1451 CB LEU A 92 0.470 2.319 -4.190 1.00 0.00 C ATOM 1452 CG LEU A 92 1.636 1.406 -4.572 1.00 0.00 C ATOM 1453 CD1 LEU A 92 1.798 0.291 -3.550 1.00 0.00 C ATOM 1454 CD2 LEU A 92 1.429 0.830 -5.965 1.00 0.00 C ATOM 0 H LEU A 92 2.759 4.313 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.049 4.176 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.281 1.720 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.009 2.689 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 92 2.550 2.000 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.632 -0.348 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.994 0.723 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.884 -0.301 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.268 0.183 -6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.506 0.251 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.365 1.642 -6.689 1.00 0.00 H new ATOM 1466 N ASN A 93 0.177 2.520 -1.191 1.00 0.00 N ATOM 1467 CA ASN A 93 0.383 2.028 0.166 1.00 0.00 C ATOM 1468 C ASN A 93 0.861 0.579 0.152 1.00 0.00 C ATOM 1469 O ASN A 93 1.712 0.187 0.950 1.00 0.00 O ATOM 1470 CB ASN A 93 -0.911 2.142 0.975 1.00 0.00 C ATOM 1471 CG ASN A 93 -1.643 3.444 0.712 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.423 3.478 -0.361 1.00 0.00 O flip ATOM 1473 ND2 ASN A 93 -1.508 4.408 1.467 1.00 0.00 N flip ATOM 0 H ASN A 93 -0.779 2.425 -1.533 1.00 0.00 H new ATOM 0 HA ASN A 93 1.152 2.642 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.565 1.305 0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.680 2.066 2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.897 4.337 2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.007 5.277 1.278 1.00 0.00 H new ATOM 1480 N GLY A 94 0.306 -0.213 -0.760 1.00 0.00 N ATOM 1481 CA GLY A 94 0.688 -1.609 -0.862 1.00 0.00 C ATOM 1482 C GLY A 94 -0.133 -2.502 0.047 1.00 0.00 C ATOM 1483 O GLY A 94 -0.586 -2.072 1.108 1.00 0.00 O ATOM 0 H GLY A 94 -0.402 0.087 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.571 -1.940 -1.894 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.744 -1.713 -0.612 1.00 0.00 H new ATOM 1487 N VAL A 95 -0.328 -3.749 -0.370 1.00 0.00 N ATOM 1488 CA VAL A 95 -1.101 -4.705 0.414 1.00 0.00 C ATOM 1489 C VAL A 95 -0.286 -5.959 0.712 1.00 0.00 C ATOM 1490 O VAL A 95 0.028 -6.736 -0.190 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.397 -5.110 -0.313 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -3.176 -6.126 0.508 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -3.248 -3.883 -0.606 1.00 0.00 C ATOM 0 H VAL A 95 0.039 -4.121 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.358 -4.211 1.351 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.131 -5.575 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.088 -6.400 -0.022 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.565 -7.015 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.434 -5.692 1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.160 -4.187 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.507 -3.388 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.688 -3.194 -1.238 1.00 0.00 H new ATOM 1503 N ARG A 96 0.053 -6.150 1.983 1.00 0.00 N ATOM 1504 CA ARG A 96 0.832 -7.309 2.399 1.00 0.00 C ATOM 1505 C ARG A 96 -0.072 -8.392 2.982 1.00 0.00 C ATOM 1506 O ARG A 96 -1.070 -8.094 3.639 1.00 0.00 O ATOM 1507 CB ARG A 96 1.884 -6.899 3.431 1.00 0.00 C ATOM 1508 CG ARG A 96 1.311 -6.634 4.814 1.00 0.00 C ATOM 1509 CD ARG A 96 2.409 -6.370 5.832 1.00 0.00 C ATOM 1510 NE ARG A 96 3.139 -5.139 5.542 1.00 0.00 N ATOM 1511 CZ ARG A 96 4.179 -4.717 6.252 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.610 -5.424 7.288 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.791 -3.585 5.927 1.00 0.00 N ATOM 0 H ARG A 96 -0.200 -5.517 2.742 1.00 0.00 H new ATOM 0 HA ARG A 96 1.333 -7.713 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.635 -7.685 3.503 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.394 -6.002 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.639 -5.777 4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.716 -7.490 5.133 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.972 -6.306 6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.104 -7.210 5.842 1.00 0.00 H new ATOM 0 HE ARG A 96 2.833 -4.572 4.751 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.142 -6.294 7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.409 -5.097 7.831 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.463 -3.038 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.590 -3.262 6.473 1.00 0.00 H new ATOM 1527 N PHE A 97 0.284 -9.648 2.736 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.496 -10.775 3.235 1.00 0.00 C ATOM 1529 C PHE A 97 0.255 -11.508 4.343 1.00 0.00 C ATOM 1530 O PHE A 97 1.479 -11.425 4.439 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.819 -11.743 2.095 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.815 -11.199 1.110 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.569 -10.012 0.441 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.997 -11.876 0.855 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.482 -9.509 -0.466 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.914 -11.378 -0.051 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.657 -10.192 -0.712 1.00 0.00 C ATOM 0 H PHE A 97 1.107 -9.911 2.194 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.427 -10.386 3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.102 -11.992 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.206 -12.671 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.653 -9.473 0.630 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.204 -12.803 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.277 -8.583 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.831 -11.915 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.373 -9.800 -1.419 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.489 -12.226 5.178 1.00 0.00 N ATOM 1548 CA LYS A 98 0.104 -12.975 6.280 1.00 0.00 C ATOM 1549 C LYS A 98 -0.611 -14.308 6.478 1.00 0.00 C ATOM 1550 O LYS A 98 -1.801 -14.344 6.791 1.00 0.00 O ATOM 1551 CB LYS A 98 0.045 -12.155 7.571 1.00 0.00 C ATOM 1552 CG LYS A 98 0.679 -12.852 8.763 1.00 0.00 C ATOM 1553 CD LYS A 98 0.717 -11.946 9.982 1.00 0.00 C ATOM 1554 CE LYS A 98 -0.651 -11.840 10.640 1.00 0.00 C ATOM 1555 NZ LYS A 98 -0.755 -10.636 11.510 1.00 0.00 N ATOM 0 H LYS A 98 -1.504 -12.305 5.112 1.00 0.00 H new ATOM 0 HA LYS A 98 1.146 -13.175 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.547 -11.201 7.409 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.996 -11.932 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.118 -13.756 8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.692 -13.163 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.439 -12.332 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.059 -10.953 9.689 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.422 -11.800 9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.839 -12.735 11.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.689 -10.617 11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.014 -10.669 12.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.635 -9.779 10.933 1.00 0.00 H new ATOM 1569 N ARG A 99 0.123 -15.400 6.295 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.441 -16.735 6.454 1.00 0.00 C ATOM 1571 C ARG A 99 -0.542 -17.111 7.930 1.00 0.00 C ATOM 1572 O ARG A 99 0.451 -17.491 8.552 1.00 0.00 O ATOM 1573 CB ARG A 99 0.412 -17.765 5.711 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.093 -19.191 5.855 1.00 0.00 C ATOM 1575 CD ARG A 99 0.506 -20.103 4.795 1.00 0.00 C ATOM 1576 NE ARG A 99 1.894 -20.447 5.091 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.934 -19.739 4.664 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.743 -18.653 3.927 1.00 0.00 N ATOM 1579 NH2 ARG A 99 4.168 -20.116 4.974 1.00 0.00 N ATOM 0 H ARG A 99 1.110 -15.387 6.036 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.445 -16.731 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.442 -17.504 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.436 -17.712 6.082 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.158 -19.569 6.846 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.180 -19.203 5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.087 -21.015 4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.453 -19.613 3.823 1.00 0.00 H new ATOM 0 HE ARG A 99 2.075 -21.276 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.796 -18.360 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.543 -18.111 3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.319 -20.950 5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.965 -19.571 4.645 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.745 -17.001 8.482 1.00 0.00 N ATOM 1594 CA ILE A 100 -1.974 -17.329 9.884 1.00 0.00 C ATOM 1595 C ILE A 100 -2.154 -18.831 10.074 1.00 0.00 C ATOM 1596 O ILE A 100 -1.565 -19.429 10.975 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.213 -16.600 10.438 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.007 -15.085 10.381 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.498 -17.049 11.863 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.151 -14.298 10.982 1.00 0.00 C ATOM 0 H ILE A 100 -2.576 -16.687 7.981 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.093 -16.998 10.434 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.074 -16.854 9.819 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.086 -14.831 10.906 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.875 -14.783 9.342 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.376 -16.525 12.241 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.683 -18.123 11.876 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.640 -16.821 12.495 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.938 -13.232 10.908 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.071 -14.523 10.442 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.270 -14.572 12.030 1.00 0.00 H new ATOM 1612 N SER A 101 -2.972 -19.437 9.218 1.00 0.00 N ATOM 1613 CA SER A 101 -3.232 -20.870 9.293 1.00 0.00 C ATOM 1614 C SER A 101 -3.770 -21.394 7.965 1.00 0.00 C ATOM 1615 O SER A 101 -4.115 -20.620 7.073 1.00 0.00 O ATOM 1616 CB SER A 101 -4.228 -21.171 10.415 1.00 0.00 C ATOM 1617 OG SER A 101 -3.635 -20.981 11.688 1.00 0.00 O ATOM 0 H SER A 101 -3.466 -18.958 8.465 1.00 0.00 H new ATOM 0 HA SER A 101 -2.290 -21.375 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.099 -20.523 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.582 -22.198 10.325 1.00 0.00 H new ATOM 0 HG SER A 101 -2.716 -20.660 11.576 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.838 -22.716 7.842 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.335 -23.323 6.621 1.00 0.00 C ATOM 1625 C GLY A 102 -3.243 -24.020 5.834 1.00 0.00 C ATOM 1626 O GLY A 102 -2.466 -24.797 6.389 1.00 0.00 O ATOM 0 H GLY A 102 -3.558 -23.377 8.566 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.116 -24.042 6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.794 -22.555 5.998 1.00 0.00 H new ATOM 1630 N THR A 103 -3.183 -23.743 4.535 1.00 0.00 N ATOM 1631 CA THR A 103 -2.180 -24.351 3.669 1.00 0.00 C ATOM 1632 C THR A 103 -1.562 -23.319 2.733 1.00 0.00 C ATOM 1633 O THR A 103 -2.184 -22.305 2.416 1.00 0.00 O ATOM 1634 CB THR A 103 -2.781 -25.494 2.829 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.968 -25.043 2.168 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.107 -26.695 3.704 1.00 0.00 C ATOM 0 H THR A 103 -3.817 -23.101 4.059 1.00 0.00 H new ATOM 0 HA THR A 103 -1.406 -24.757 4.320 1.00 0.00 H new ATOM 0 HB THR A 103 -2.043 -25.796 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.343 -25.774 1.635 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.530 -27.489 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.196 -27.054 4.184 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.829 -26.404 4.467 1.00 0.00 H new ATOM 1644 N SER A 104 -0.336 -23.583 2.294 1.00 0.00 N ATOM 1645 CA SER A 104 0.367 -22.675 1.397 1.00 0.00 C ATOM 1646 C SER A 104 -0.302 -22.640 0.026 1.00 0.00 C ATOM 1647 O SER A 104 -0.726 -21.583 -0.443 1.00 0.00 O ATOM 1648 CB SER A 104 1.830 -23.097 1.252 1.00 0.00 C ATOM 1649 OG SER A 104 1.976 -24.497 1.419 1.00 0.00 O ATOM 0 H SER A 104 0.191 -24.419 2.545 1.00 0.00 H new ATOM 0 HA SER A 104 0.326 -21.675 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.201 -22.804 0.270 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.438 -22.574 1.991 1.00 0.00 H new ATOM 0 HG SER A 104 2.920 -24.742 1.320 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.392 -23.802 -0.611 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.010 -23.906 -1.927 1.00 0.00 C ATOM 1657 C ILE A 105 -2.218 -22.983 -2.041 1.00 0.00 C ATOM 1658 O ILE A 105 -2.215 -22.032 -2.823 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.451 -25.350 -2.230 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.230 -26.237 -2.484 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.390 -25.377 -3.427 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.763 -25.635 -3.453 1.00 0.00 C ATOM 0 H ILE A 105 -0.045 -24.685 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.256 -23.605 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.986 -25.740 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.272 -26.431 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.564 -27.200 -2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.693 -26.404 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.272 -24.774 -3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.878 -24.972 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.602 -26.318 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.277 -25.467 -4.414 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.126 -24.686 -3.059 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.251 -23.269 -1.255 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.465 -22.462 -1.265 1.00 0.00 C ATOM 1676 C ALA A 106 -4.155 -21.000 -0.962 1.00 0.00 C ATOM 1677 O ALA A 106 -4.675 -20.097 -1.618 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.470 -23.009 -0.262 1.00 0.00 C ATOM 0 H ALA A 106 -3.271 -24.053 -0.603 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.899 -22.515 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.372 -22.397 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.723 -24.036 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.036 -22.986 0.738 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.306 -20.774 0.035 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.928 -19.421 0.425 1.00 0.00 C ATOM 1686 C PHE A 107 -2.519 -18.597 -0.793 1.00 0.00 C ATOM 1687 O PHE A 107 -2.892 -17.431 -0.922 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.781 -19.460 1.436 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.372 -18.103 1.932 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.989 -17.539 3.038 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.370 -17.390 1.293 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.615 -16.291 3.497 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.008 -16.141 1.748 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.615 -15.590 2.851 1.00 0.00 C ATOM 0 H PHE A 107 -2.867 -21.510 0.587 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.795 -18.948 0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.078 -20.074 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.919 -19.945 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.772 -18.082 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.121 -17.815 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.104 -15.864 4.360 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.790 -15.596 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.321 -14.614 3.207 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.750 -19.213 -1.684 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.289 -18.540 -2.893 1.00 0.00 C ATOM 1706 C LYS A 108 -2.358 -18.582 -3.980 1.00 0.00 C ATOM 1707 O LYS A 108 -2.758 -17.547 -4.511 1.00 0.00 O ATOM 1708 CB LYS A 108 -0.001 -19.189 -3.403 1.00 0.00 C ATOM 1709 CG LYS A 108 1.240 -18.762 -2.638 1.00 0.00 C ATOM 1710 CD LYS A 108 2.340 -19.806 -2.732 1.00 0.00 C ATOM 1711 CE LYS A 108 2.987 -19.811 -4.109 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.366 -20.372 -4.071 1.00 0.00 N ATOM 0 H LYS A 108 -1.432 -20.178 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.089 -17.498 -2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.101 -20.273 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.129 -18.941 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.603 -17.813 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.984 -18.595 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.097 -19.608 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.927 -20.792 -2.519 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.375 -20.396 -4.796 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.019 -18.794 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.773 -20.358 -5.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.957 -19.799 -3.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.333 -21.351 -3.723 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.817 -19.786 -4.305 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.841 -19.963 -5.329 1.00 0.00 C ATOM 1728 C ASN A 109 -4.927 -18.900 -5.201 1.00 0.00 C ATOM 1729 O ASN A 109 -5.366 -18.324 -6.197 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.461 -21.358 -5.224 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.653 -22.408 -5.962 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.812 -23.129 -5.230 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -3.784 -22.568 -7.175 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.497 -20.653 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.367 -19.856 -6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.542 -21.638 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.474 -21.334 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.443 -21.991 -7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.234 -23.278 -7.658 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.356 -18.645 -3.970 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.390 -17.650 -3.712 1.00 0.00 C ATOM 1742 C ILE A 110 -5.842 -16.236 -3.869 1.00 0.00 C ATOM 1743 O ILE A 110 -6.486 -15.373 -4.466 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.981 -17.806 -2.298 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.172 -16.864 -2.114 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.916 -17.534 -1.246 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.377 -17.244 -2.945 1.00 0.00 C ATOM 0 H ILE A 110 -5.004 -19.114 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.178 -17.815 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.330 -18.831 -2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.456 -16.852 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.867 -15.850 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.349 -17.648 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.095 -18.241 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.540 -16.518 -1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.183 -16.533 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.110 -17.229 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.708 -18.245 -2.669 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.649 -16.006 -3.331 1.00 0.00 N ATOM 1760 CA ALA A 111 -4.013 -14.697 -3.415 1.00 0.00 C ATOM 1761 C ALA A 111 -4.088 -14.140 -4.832 1.00 0.00 C ATOM 1762 O ALA A 111 -4.338 -12.950 -5.030 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.565 -14.783 -2.956 1.00 0.00 C ATOM 0 H ALA A 111 -4.103 -16.709 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.552 -14.016 -2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.103 -13.798 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.531 -15.129 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -2.023 -15.483 -3.592 1.00 0.00 H new ATOM 1769 N SER A 112 -3.870 -15.006 -5.816 1.00 0.00 N ATOM 1770 CA SER A 112 -3.909 -14.599 -7.216 1.00 0.00 C ATOM 1771 C SER A 112 -5.175 -13.802 -7.515 1.00 0.00 C ATOM 1772 O SER A 112 -5.111 -12.665 -7.984 1.00 0.00 O ATOM 1773 CB SER A 112 -3.838 -15.826 -8.128 1.00 0.00 C ATOM 1774 OG SER A 112 -3.803 -15.445 -9.492 1.00 0.00 O ATOM 0 H SER A 112 -3.664 -15.994 -5.670 1.00 0.00 H new ATOM 0 HA SER A 112 -3.046 -13.962 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.950 -16.411 -7.888 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.701 -16.467 -7.948 1.00 0.00 H new ATOM 0 HG SER A 112 -3.756 -16.246 -10.054 1.00 0.00 H new ATOM 1780 N LYS A 113 -6.326 -14.406 -7.240 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.608 -13.754 -7.478 1.00 0.00 C ATOM 1782 C LYS A 113 -7.642 -12.370 -6.837 1.00 0.00 C ATOM 1783 O LYS A 113 -7.763 -11.359 -7.528 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.749 -14.612 -6.926 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.947 -15.917 -7.677 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.635 -16.960 -6.812 1.00 0.00 C ATOM 1787 CE LYS A 113 -9.721 -18.303 -7.520 1.00 0.00 C ATOM 1788 NZ LYS A 113 -8.470 -19.095 -7.361 1.00 0.00 N ATOM 0 H LYS A 113 -6.397 -15.347 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.735 -13.639 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.552 -14.833 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.675 -14.038 -6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.542 -15.736 -8.572 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.981 -16.298 -8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.089 -17.075 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.638 -16.618 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.563 -18.870 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.917 -18.143 -8.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.569 -20.003 -7.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -7.670 -18.565 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.296 -19.270 -6.351 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.534 -12.334 -5.513 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.549 -11.074 -4.780 1.00 0.00 C ATOM 1804 C ILE A 114 -6.750 -10.002 -5.513 1.00 0.00 C ATOM 1805 O ILE A 114 -7.237 -8.893 -5.736 1.00 0.00 O ATOM 1806 CB ILE A 114 -6.979 -11.241 -3.360 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.768 -12.305 -2.592 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.009 -9.914 -2.617 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.202 -11.911 -2.316 1.00 0.00 C ATOM 0 H ILE A 114 -7.435 -13.162 -4.926 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.591 -10.763 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.942 -11.568 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.758 -13.235 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.266 -12.505 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.603 -10.049 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.409 -9.181 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.037 -9.559 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.700 -12.711 -1.769 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.220 -10.998 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.720 -11.739 -3.259 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.521 -10.340 -5.888 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.656 -9.408 -6.600 1.00 0.00 C ATOM 1823 C ALA A 115 -5.281 -8.979 -7.923 1.00 0.00 C ATOM 1824 O ALA A 115 -5.571 -7.801 -8.129 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.289 -10.034 -6.838 1.00 0.00 C ATOM 0 H ALA A 115 -5.102 -11.253 -5.710 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.534 -8.519 -5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.653 -9.327 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.832 -10.284 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.402 -10.940 -7.433 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.485 -9.942 -8.816 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.075 -9.662 -10.120 1.00 0.00 C ATOM 1833 C ASN A 116 -7.262 -8.712 -9.988 1.00 0.00 C ATOM 1834 O ASN A 116 -7.430 -7.798 -10.794 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.522 -10.963 -10.790 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.385 -11.664 -11.507 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.891 -11.186 -12.528 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.963 -12.805 -10.973 1.00 0.00 N ATOM 0 H ASN A 116 -5.251 -10.922 -8.661 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.316 -9.183 -10.739 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.940 -11.631 -10.037 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.319 -10.747 -11.502 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -4.200 -13.322 -11.411 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.402 -13.164 -10.125 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.080 -8.935 -8.964 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.251 -8.098 -8.727 1.00 0.00 C ATOM 1847 C GLU A 117 -8.844 -6.743 -8.155 1.00 0.00 C ATOM 1848 O GLU A 117 -9.424 -5.712 -8.498 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.220 -8.797 -7.771 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.579 -10.211 -8.196 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.999 -10.590 -7.821 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.848 -9.681 -7.716 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -12.260 -11.797 -7.633 1.00 0.00 O ATOM 0 H GLU A 117 -7.954 -9.687 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.749 -7.935 -9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.777 -8.827 -6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.133 -8.206 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.455 -10.305 -9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.885 -10.913 -7.733 1.00 0.00 H new ATOM 1860 N LEU A 118 -7.844 -6.753 -7.281 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.358 -5.525 -6.660 1.00 0.00 C ATOM 1862 C LEU A 118 -6.321 -4.840 -7.544 1.00 0.00 C ATOM 1863 O LEU A 118 -5.512 -4.044 -7.068 1.00 0.00 O ATOM 1864 CB LEU A 118 -6.754 -5.829 -5.288 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.740 -5.901 -4.121 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.174 -6.752 -2.995 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.075 -4.503 -3.619 1.00 0.00 C ATOM 0 H LEU A 118 -7.354 -7.597 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.205 -4.850 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.224 -6.780 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.011 -5.064 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.659 -6.369 -4.475 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.890 -6.791 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.986 -7.761 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.240 -6.314 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.778 -4.573 -2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.163 -4.009 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.524 -3.924 -4.426 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.352 -5.155 -8.835 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.417 -4.568 -9.788 1.00 0.00 C ATOM 1881 C LYS A 119 -3.998 -4.569 -9.229 1.00 0.00 C ATOM 1882 O LYS A 119 -3.233 -3.629 -9.450 1.00 0.00 O ATOM 1883 CB LYS A 119 -5.840 -3.139 -10.134 1.00 0.00 C ATOM 1884 CG LYS A 119 -6.846 -3.059 -11.269 1.00 0.00 C ATOM 1885 CD LYS A 119 -6.238 -3.512 -12.586 1.00 0.00 C ATOM 1886 CE LYS A 119 -6.997 -2.943 -13.775 1.00 0.00 C ATOM 1887 NZ LYS A 119 -6.511 -1.585 -14.146 1.00 0.00 N ATOM 0 H LYS A 119 -7.014 -5.813 -9.245 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.432 -5.174 -10.694 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.268 -2.671 -9.247 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.955 -2.562 -10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.711 -3.679 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.205 -2.035 -11.366 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.196 -3.197 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.245 -4.601 -12.636 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.890 -3.613 -14.628 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.060 -2.896 -13.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.054 -1.233 -14.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.637 -0.939 -13.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.503 -1.634 -14.397 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.652 -5.629 -8.507 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.323 -5.752 -7.918 1.00 0.00 C ATOM 1903 C LEU A 120 -1.372 -6.476 -8.867 1.00 0.00 C ATOM 1904 O LEU A 120 -1.782 -7.361 -9.617 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.402 -6.501 -6.587 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.395 -5.950 -5.564 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.536 -6.905 -4.388 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -2.959 -4.573 -5.085 1.00 0.00 C ATOM 0 H LEU A 120 -4.273 -6.415 -8.315 1.00 0.00 H new ATOM 0 HA LEU A 120 -1.936 -4.749 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.662 -7.539 -6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.410 -6.504 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.368 -5.854 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.247 -6.496 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.895 -7.870 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.567 -7.034 -3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.678 -4.196 -4.357 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.976 -4.644 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.911 -3.891 -5.934 1.00 0.00 H new ATOM 1920 N SER A 121 -0.100 -6.093 -8.826 1.00 0.00 N ATOM 1921 CA SER A 121 0.910 -6.704 -9.683 1.00 0.00 C ATOM 1922 C SER A 121 0.613 -8.185 -9.901 1.00 0.00 C ATOM 1923 O SER A 121 0.463 -8.639 -11.034 1.00 0.00 O ATOM 1924 CB SER A 121 2.300 -6.536 -9.068 1.00 0.00 C ATOM 1925 OG SER A 121 3.297 -6.468 -10.073 1.00 0.00 O ATOM 0 H SER A 121 0.256 -5.363 -8.209 1.00 0.00 H new ATOM 0 HA SER A 121 0.885 -6.200 -10.649 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.326 -5.630 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.509 -7.371 -8.400 1.00 0.00 H new ATOM 0 HG SER A 121 4.176 -6.359 -9.655 1.00 0.00 H new ATOM 1931 N GLY A 122 0.530 -8.933 -8.805 1.00 0.00 N ATOM 1932 CA GLY A 122 0.253 -10.355 -8.896 1.00 0.00 C ATOM 1933 C GLY A 122 1.512 -11.182 -9.065 1.00 0.00 C ATOM 1934 O GLY A 122 1.817 -11.672 -10.152 1.00 0.00 O ATOM 0 H GLY A 122 0.650 -8.580 -7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.272 -10.678 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.414 -10.539 -9.738 1.00 0.00 H new ATOM 1938 N PRO A 123 2.268 -11.346 -7.969 1.00 0.00 N ATOM 1939 CA PRO A 123 3.514 -12.118 -7.975 1.00 0.00 C ATOM 1940 C PRO A 123 3.268 -13.613 -8.149 1.00 0.00 C ATOM 1941 O PRO A 123 4.202 -14.414 -8.110 1.00 0.00 O ATOM 1942 CB PRO A 123 4.116 -11.832 -6.597 1.00 0.00 C ATOM 1943 CG PRO A 123 2.949 -11.484 -5.739 1.00 0.00 C ATOM 1944 CD PRO A 123 1.964 -10.790 -6.639 1.00 0.00 C ATOM 0 HA PRO A 123 4.163 -11.838 -8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.648 -12.701 -6.209 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.834 -11.013 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.510 -12.378 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.250 -10.835 -4.916 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.935 -10.995 -6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.092 -9.708 -6.617 1.00 0.00 H new ATOM 1952 N SER A 124 2.006 -13.982 -8.341 1.00 0.00 N ATOM 1953 CA SER A 124 1.637 -15.382 -8.517 1.00 0.00 C ATOM 1954 C SER A 124 2.729 -16.141 -9.265 1.00 0.00 C ATOM 1955 O SER A 124 3.182 -15.714 -10.327 1.00 0.00 O ATOM 1956 CB SER A 124 0.313 -15.491 -9.276 1.00 0.00 C ATOM 1957 OG SER A 124 -0.352 -16.705 -8.969 1.00 0.00 O ATOM 0 H SER A 124 1.222 -13.331 -8.379 1.00 0.00 H new ATOM 0 HA SER A 124 1.519 -15.828 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.327 -14.647 -9.020 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.499 -15.436 -10.349 1.00 0.00 H new ATOM 0 HG SER A 124 -1.196 -16.750 -9.465 1.00 0.00 H new ATOM 1963 N SER A 125 3.147 -17.271 -8.702 1.00 0.00 N ATOM 1964 CA SER A 125 4.188 -18.089 -9.313 1.00 0.00 C ATOM 1965 C SER A 125 3.578 -19.220 -10.136 1.00 0.00 C ATOM 1966 O SER A 125 4.007 -19.488 -11.257 1.00 0.00 O ATOM 1967 CB SER A 125 5.109 -18.666 -8.236 1.00 0.00 C ATOM 1968 OG SER A 125 6.129 -19.465 -8.812 1.00 0.00 O ATOM 0 H SER A 125 2.781 -17.640 -7.825 1.00 0.00 H new ATOM 0 HA SER A 125 4.772 -17.453 -9.979 1.00 0.00 H new ATOM 0 HB2 SER A 125 5.558 -17.854 -7.664 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.525 -19.264 -7.536 1.00 0.00 H new ATOM 0 HG SER A 125 6.705 -19.821 -8.104 1.00 0.00 H new ATOM 1974 N GLY A 126 2.573 -19.880 -9.569 1.00 0.00 N ATOM 1975 CA GLY A 126 1.919 -20.974 -10.263 1.00 0.00 C ATOM 1976 C GLY A 126 0.477 -21.155 -9.833 1.00 0.00 C ATOM 1977 O GLY A 126 -0.070 -22.254 -9.918 1.00 0.00 O ATOM 0 H GLY A 126 2.200 -19.677 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.954 -20.791 -11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.468 -21.897 -10.078 1.00 0.00 H new TER 1981 GLY A 126