USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 562 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 21 THR OG1 : rot 180:sc= 0.0955 USER MOD Set 1.2: A 32 THR OG1 : rot -70:sc= 0.157 USER MOD Set 2.1: A 7 SER OG : rot -138:sc= 0.5 USER MOD Set 2.2: A 20 MET CE :methyl -139:sc= -0.941 (180deg=-2.17) USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0361) USER MOD Single : A 9 LYS NZ :NH3+ -135:sc= 0.971 (180deg=-0.978) USER MOD Single : A 15 TYR OH : rot 24:sc= 0.0387 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0188 X(o=-0.019,f=-0.42) USER MOD Single : A 38 TYR OH : rot 123:sc= -1.84! USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= -3.36! (180deg=-4.94!) USER MOD Single : A 49 THR OG1 : rot -130:sc= -0.324 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : A 63 HIS : no HE2:sc= -11.3! C(o=-11!,f=-10!) USER MOD Single : A 65 GLN : amide:sc= -14.7! C(o=-15!,f=-9.1!) USER MOD Single : A 67 ASN : amide:sc= -1.45! C(o=-1.4!,f=-2.1!) USER MOD Single : A 71 CYS SG : rot 180:sc=-0.00102 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.301 -21.549 7.855 1.00 0.00 N ATOM 2 CA ALA A 1 -17.863 -21.667 7.652 1.00 0.00 C ATOM 3 C ALA A 1 -17.330 -20.513 6.810 1.00 0.00 C ATOM 4 O ALA A 1 -16.291 -19.930 7.123 1.00 0.00 O ATOM 5 CB ALA A 1 -17.529 -22.999 6.995 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.618 -22.277 8.526 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.522 -20.607 8.236 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.792 -21.678 6.947 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.380 -21.624 8.628 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.451 -23.073 6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.866 -23.815 7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.031 -23.064 6.030 1.00 0.00 H new ATOM 11 N LEU A 2 -18.048 -20.188 5.741 1.00 0.00 N ATOM 12 CA LEU A 2 -17.647 -19.101 4.852 1.00 0.00 C ATOM 13 C LEU A 2 -18.356 -17.803 5.225 1.00 0.00 C ATOM 14 O LEU A 2 -19.570 -17.783 5.428 1.00 0.00 O ATOM 15 CB LEU A 2 -17.956 -19.465 3.398 1.00 0.00 C ATOM 16 CG LEU A 2 -16.805 -19.297 2.406 1.00 0.00 C ATOM 17 CD1 LEU A 2 -16.184 -20.645 2.075 1.00 0.00 C ATOM 18 CD2 LEU A 2 -17.289 -18.606 1.139 1.00 0.00 C ATOM 0 H LEU A 2 -18.910 -20.660 5.468 1.00 0.00 H new ATOM 0 HA LEU A 2 -16.573 -18.951 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -18.288 -20.503 3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -18.792 -18.853 3.061 1.00 0.00 H new ATOM 0 HG LEU A 2 -16.041 -18.672 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -15.367 -20.505 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -15.800 -21.103 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -16.939 -21.295 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.456 -18.495 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -18.072 -19.205 0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -17.686 -17.622 1.390 1.00 0.00 H new ATOM 30 N ASP A 3 -17.590 -16.721 5.312 1.00 0.00 N ATOM 31 CA ASP A 3 -18.146 -15.417 5.657 1.00 0.00 C ATOM 32 C ASP A 3 -17.584 -14.330 4.747 1.00 0.00 C ATOM 33 O ASP A 3 -16.817 -13.466 5.171 1.00 0.00 O ATOM 34 CB ASP A 3 -17.845 -15.082 7.118 1.00 0.00 C ATOM 35 CG ASP A 3 -17.748 -16.320 7.989 1.00 0.00 C ATOM 36 OD1 ASP A 3 -18.677 -17.153 7.940 1.00 0.00 O ATOM 37 OD2 ASP A 3 -16.744 -16.455 8.717 1.00 0.00 O ATOM 0 H ASP A 3 -16.583 -16.721 5.149 1.00 0.00 H new ATOM 0 HA ASP A 3 -19.226 -15.461 5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -16.908 -14.527 7.175 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.626 -14.429 7.506 1.00 0.00 H new ATOM 42 N PRO A 4 -17.975 -14.372 3.463 1.00 0.00 N ATOM 43 CA PRO A 4 -17.523 -13.397 2.467 1.00 0.00 C ATOM 44 C PRO A 4 -18.111 -12.010 2.702 1.00 0.00 C ATOM 45 O PRO A 4 -19.313 -11.799 2.539 1.00 0.00 O ATOM 46 CB PRO A 4 -18.035 -13.977 1.146 1.00 0.00 C ATOM 47 CG PRO A 4 -19.206 -14.815 1.528 1.00 0.00 C ATOM 48 CD PRO A 4 -18.889 -15.373 2.888 1.00 0.00 C ATOM 0 HA PRO A 4 -16.443 -13.256 2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -18.323 -13.187 0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.267 -14.572 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.120 -14.221 1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -19.366 -15.615 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -19.788 -15.491 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -18.419 -16.354 2.820 1.00 0.00 H new ATOM 56 N LEU A 5 -17.257 -11.068 3.086 1.00 0.00 N ATOM 57 CA LEU A 5 -17.692 -9.699 3.344 1.00 0.00 C ATOM 58 C LEU A 5 -17.081 -8.734 2.333 1.00 0.00 C ATOM 59 O LEU A 5 -17.734 -7.791 1.886 1.00 0.00 O ATOM 60 CB LEU A 5 -17.308 -9.280 4.764 1.00 0.00 C ATOM 61 CG LEU A 5 -18.415 -9.373 5.814 1.00 0.00 C ATOM 62 CD1 LEU A 5 -19.634 -8.577 5.377 1.00 0.00 C ATOM 63 CD2 LEU A 5 -18.788 -10.826 6.069 1.00 0.00 C ATOM 0 H LEU A 5 -16.259 -11.227 3.226 1.00 0.00 H new ATOM 0 HA LEU A 5 -18.777 -9.663 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.472 -9.899 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.950 -8.251 4.733 1.00 0.00 H new ATOM 0 HG LEU A 5 -18.042 -8.946 6.745 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -20.411 -8.655 6.137 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -19.358 -7.531 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -20.008 -8.974 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.577 -10.873 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -19.141 -11.279 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.914 -11.368 6.428 1.00 0.00 H new ATOM 75 N VAL A 6 -15.824 -8.977 1.975 1.00 0.00 N ATOM 76 CA VAL A 6 -15.126 -8.132 1.014 1.00 0.00 C ATOM 77 C VAL A 6 -15.098 -6.680 1.479 1.00 0.00 C ATOM 78 O VAL A 6 -15.826 -6.296 2.395 1.00 0.00 O ATOM 79 CB VAL A 6 -15.783 -8.202 -0.377 1.00 0.00 C ATOM 80 CG1 VAL A 6 -16.795 -9.337 -0.433 1.00 0.00 C ATOM 81 CG2 VAL A 6 -16.440 -6.873 -0.723 1.00 0.00 C ATOM 0 H VAL A 6 -15.268 -9.752 2.336 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.105 -8.508 0.944 1.00 0.00 H new ATOM 0 HB VAL A 6 -15.008 -8.402 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.249 -9.371 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -16.292 -10.283 -0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -17.570 -9.171 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.899 -6.940 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -17.205 -6.641 0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.687 -6.085 -0.726 1.00 0.00 H new ATOM 91 N SER A 7 -14.254 -5.876 0.839 1.00 0.00 N ATOM 92 CA SER A 7 -14.128 -4.466 1.190 1.00 0.00 C ATOM 93 C SER A 7 -12.932 -3.835 0.482 1.00 0.00 C ATOM 94 O SER A 7 -13.067 -3.260 -0.598 1.00 0.00 O ATOM 95 CB SER A 7 -13.983 -4.305 2.703 1.00 0.00 C ATOM 96 OG SER A 7 -13.089 -5.266 3.235 1.00 0.00 O ATOM 0 H SER A 7 -13.648 -6.177 0.076 1.00 0.00 H new ATOM 0 HA SER A 7 -15.033 -3.954 0.864 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.622 -3.302 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.959 -4.409 3.178 1.00 0.00 H new ATOM 0 HG SER A 7 -13.450 -5.619 4.075 1.00 0.00 H new ATOM 102 N CYS A 8 -11.762 -3.949 1.101 1.00 0.00 N ATOM 103 CA CYS A 8 -10.540 -3.391 0.534 1.00 0.00 C ATOM 104 C CYS A 8 -10.350 -3.850 -0.910 1.00 0.00 C ATOM 105 O CYS A 8 -10.890 -4.876 -1.323 1.00 0.00 O ATOM 106 CB CYS A 8 -9.328 -3.801 1.374 1.00 0.00 C ATOM 107 SG CYS A 8 -7.767 -3.015 0.861 1.00 0.00 S ATOM 0 H CYS A 8 -11.634 -4.423 1.995 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.629 -2.305 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.522 -3.552 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.212 -4.883 1.321 1.00 0.00 H new ATOM 112 N LYS A 9 -9.580 -3.082 -1.672 1.00 0.00 N ATOM 113 CA LYS A 9 -9.316 -3.409 -3.068 1.00 0.00 C ATOM 114 C LYS A 9 -7.829 -3.660 -3.298 1.00 0.00 C ATOM 115 O LYS A 9 -7.449 -4.488 -4.127 1.00 0.00 O ATOM 116 CB LYS A 9 -9.800 -2.277 -3.978 1.00 0.00 C ATOM 117 CG LYS A 9 -8.715 -1.719 -4.884 1.00 0.00 C ATOM 118 CD LYS A 9 -9.222 -0.544 -5.702 1.00 0.00 C ATOM 119 CE LYS A 9 -10.670 -0.740 -6.123 1.00 0.00 C ATOM 120 NZ LYS A 9 -11.104 0.283 -7.113 1.00 0.00 N ATOM 0 H LYS A 9 -9.127 -2.228 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.861 -4.321 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.623 -2.643 -4.593 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.197 -1.471 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.863 -1.404 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.359 -2.503 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.133 0.372 -5.118 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.598 -0.420 -6.587 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.792 -1.735 -6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.313 -0.691 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.042 0.647 -6.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.420 1.066 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.154 -0.148 -8.058 1.00 0.00 H new ATOM 134 N LEU A 10 -6.993 -2.943 -2.558 1.00 0.00 N ATOM 135 CA LEU A 10 -5.546 -3.089 -2.678 1.00 0.00 C ATOM 136 C LEU A 10 -5.128 -4.543 -2.488 1.00 0.00 C ATOM 137 O LEU A 10 -4.085 -4.971 -2.984 1.00 0.00 O ATOM 138 CB LEU A 10 -4.836 -2.203 -1.653 1.00 0.00 C ATOM 139 CG LEU A 10 -5.024 -0.695 -1.824 1.00 0.00 C ATOM 140 CD1 LEU A 10 -4.515 0.048 -0.598 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.315 -0.208 -3.078 1.00 0.00 C ATOM 0 H LEU A 10 -7.291 -2.254 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.256 -2.775 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.184 -2.482 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.769 -2.422 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.089 -0.490 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.657 1.120 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.068 -0.280 0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.455 -0.163 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.460 0.867 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.250 -0.425 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.727 -0.717 -3.950 1.00 0.00 H new ATOM 153 N CYS A 11 -5.948 -5.299 -1.768 1.00 0.00 N ATOM 154 CA CYS A 11 -5.666 -6.707 -1.512 1.00 0.00 C ATOM 155 C CYS A 11 -6.914 -7.559 -1.724 1.00 0.00 C ATOM 156 O CYS A 11 -6.886 -8.778 -1.542 1.00 0.00 O ATOM 157 CB CYS A 11 -5.145 -6.893 -0.085 1.00 0.00 C ATOM 158 SG CYS A 11 -6.414 -6.680 1.203 1.00 0.00 S ATOM 0 H CYS A 11 -6.815 -4.960 -1.350 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.901 -7.033 -2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.714 -7.890 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.340 -6.180 0.092 1.00 0.00 H new ATOM 163 N LEU A 12 -8.007 -6.911 -2.111 1.00 0.00 N ATOM 164 CA LEU A 12 -9.266 -7.610 -2.350 1.00 0.00 C ATOM 165 C LEU A 12 -9.430 -8.780 -1.386 1.00 0.00 C ATOM 166 O LEU A 12 -9.547 -9.931 -1.805 1.00 0.00 O ATOM 167 CB LEU A 12 -9.328 -8.111 -3.794 1.00 0.00 C ATOM 168 CG LEU A 12 -9.992 -7.172 -4.802 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.157 -7.072 -6.069 1.00 0.00 C ATOM 170 CD2 LEU A 12 -11.401 -7.647 -5.126 1.00 0.00 C ATOM 0 H LEU A 12 -8.048 -5.904 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.082 -6.907 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.311 -8.313 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.863 -9.061 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.058 -6.180 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -9.645 -6.400 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.168 -6.685 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.058 -8.060 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.858 -6.967 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.358 -8.650 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.998 -7.665 -4.214 1.00 0.00 H new ATOM 182 N GLY A 13 -9.442 -8.477 -0.091 1.00 0.00 N ATOM 183 CA GLY A 13 -9.595 -9.514 0.912 1.00 0.00 C ATOM 184 C GLY A 13 -10.960 -9.486 1.571 1.00 0.00 C ATOM 185 O GLY A 13 -11.914 -8.944 1.013 1.00 0.00 O ATOM 0 H GLY A 13 -9.348 -7.532 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.438 -10.488 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.825 -9.395 1.674 1.00 0.00 H new ATOM 189 N GLU A 14 -11.054 -10.073 2.760 1.00 0.00 N ATOM 190 CA GLU A 14 -12.314 -10.115 3.494 1.00 0.00 C ATOM 191 C GLU A 14 -12.134 -9.587 4.913 1.00 0.00 C ATOM 192 O GLU A 14 -11.494 -10.226 5.749 1.00 0.00 O ATOM 193 CB GLU A 14 -12.858 -11.544 3.535 1.00 0.00 C ATOM 194 CG GLU A 14 -14.096 -11.700 4.402 1.00 0.00 C ATOM 195 CD GLU A 14 -13.794 -12.347 5.739 1.00 0.00 C ATOM 196 OE1 GLU A 14 -13.975 -13.577 5.856 1.00 0.00 O ATOM 197 OE2 GLU A 14 -13.375 -11.625 6.668 1.00 0.00 O ATOM 0 H GLU A 14 -10.273 -10.526 3.235 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.029 -9.476 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.093 -11.863 2.520 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.079 -12.210 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.543 -10.720 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.834 -12.301 3.870 1.00 0.00 H new ATOM 204 N TYR A 15 -12.701 -8.416 5.179 1.00 0.00 N ATOM 205 CA TYR A 15 -12.602 -7.799 6.497 1.00 0.00 C ATOM 206 C TYR A 15 -13.788 -6.874 6.756 1.00 0.00 C ATOM 207 O TYR A 15 -14.387 -6.318 5.836 1.00 0.00 O ATOM 208 CB TYR A 15 -11.294 -7.016 6.619 1.00 0.00 C ATOM 209 CG TYR A 15 -10.150 -7.624 5.840 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.891 -7.236 4.531 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.327 -8.587 6.413 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.846 -7.790 3.815 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.280 -9.144 5.705 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.044 -8.742 4.407 1.00 0.00 C ATOM 215 OH TYR A 15 -7.003 -9.297 3.698 1.00 0.00 O ATOM 0 H TYR A 15 -13.235 -7.874 4.499 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.614 -8.593 7.244 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.457 -5.996 6.272 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.014 -6.954 7.671 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.517 -6.489 4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.509 -8.905 7.429 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.659 -7.479 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.650 -9.890 6.165 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.726 -8.681 2.988 1.00 0.00 H new ATOM 225 N PRO A 16 -14.135 -6.705 8.040 1.00 0.00 N ATOM 226 CA PRO A 16 -15.250 -5.847 8.453 1.00 0.00 C ATOM 227 C PRO A 16 -14.954 -4.367 8.237 1.00 0.00 C ATOM 228 O PRO A 16 -14.001 -4.009 7.545 1.00 0.00 O ATOM 229 CB PRO A 16 -15.397 -6.150 9.946 1.00 0.00 C ATOM 230 CG PRO A 16 -14.048 -6.616 10.373 1.00 0.00 C ATOM 231 CD PRO A 16 -13.465 -7.338 9.189 1.00 0.00 C ATOM 0 HA PRO A 16 -16.152 -6.044 7.873 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.704 -5.264 10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.154 -6.914 10.122 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.419 -5.775 10.666 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.119 -7.277 11.237 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.383 -7.219 9.139 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.666 -8.408 9.232 1.00 0.00 H new ATOM 239 N VAL A 17 -15.777 -3.510 8.831 1.00 0.00 N ATOM 240 CA VAL A 17 -15.602 -2.068 8.705 1.00 0.00 C ATOM 241 C VAL A 17 -14.938 -1.484 9.946 1.00 0.00 C ATOM 242 O VAL A 17 -14.745 -0.273 10.046 1.00 0.00 O ATOM 243 CB VAL A 17 -16.950 -1.358 8.475 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.863 -2.212 7.610 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.613 -1.032 9.805 1.00 0.00 C ATOM 0 H VAL A 17 -16.573 -3.789 9.405 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.959 -1.901 7.841 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.763 -0.422 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.810 -1.694 7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.388 -2.390 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.046 -3.166 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.564 -0.531 9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -17.788 -1.954 10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.962 -0.378 10.385 1.00 0.00 H new ATOM 255 N GLU A 18 -14.589 -2.354 10.888 1.00 0.00 N ATOM 256 CA GLU A 18 -13.945 -1.923 12.125 1.00 0.00 C ATOM 257 C GLU A 18 -12.438 -2.149 12.060 1.00 0.00 C ATOM 258 O GLU A 18 -11.686 -1.628 12.883 1.00 0.00 O ATOM 259 CB GLU A 18 -14.534 -2.673 13.321 1.00 0.00 C ATOM 260 CG GLU A 18 -16.047 -2.574 13.417 1.00 0.00 C ATOM 261 CD GLU A 18 -16.634 -3.560 14.408 1.00 0.00 C ATOM 262 OE1 GLU A 18 -16.027 -4.634 14.608 1.00 0.00 O ATOM 263 OE2 GLU A 18 -17.702 -3.261 14.981 1.00 0.00 O ATOM 0 H GLU A 18 -14.741 -3.360 10.819 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.130 -0.856 12.249 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.251 -3.723 13.256 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.094 -2.281 14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.323 -1.561 13.711 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.482 -2.751 12.433 1.00 0.00 H new ATOM 270 N GLN A 19 -12.004 -2.931 11.076 1.00 0.00 N ATOM 271 CA GLN A 19 -10.587 -3.228 10.905 1.00 0.00 C ATOM 272 C GLN A 19 -10.025 -2.512 9.681 1.00 0.00 C ATOM 273 O GLN A 19 -8.964 -2.872 9.172 1.00 0.00 O ATOM 274 CB GLN A 19 -10.373 -4.737 10.771 1.00 0.00 C ATOM 275 CG GLN A 19 -10.101 -5.432 12.095 1.00 0.00 C ATOM 276 CD GLN A 19 -10.334 -6.928 12.026 1.00 0.00 C ATOM 277 OE1 GLN A 19 -10.399 -7.510 10.942 1.00 0.00 O ATOM 278 NE2 GLN A 19 -10.462 -7.562 13.186 1.00 0.00 N ATOM 0 H GLN A 19 -12.613 -3.370 10.386 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.057 -2.870 11.788 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.256 -5.181 10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.537 -4.919 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -9.071 -5.242 12.396 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.742 -5.003 12.865 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.402 -7.041 14.061 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.621 -8.569 13.202 1.00 0.00 H new ATOM 287 N MET A 20 -10.744 -1.496 9.214 1.00 0.00 N ATOM 288 CA MET A 20 -10.315 -0.729 8.051 1.00 0.00 C ATOM 289 C MET A 20 -10.067 0.729 8.423 1.00 0.00 C ATOM 290 O MET A 20 -10.293 1.139 9.562 1.00 0.00 O ATOM 291 CB MET A 20 -11.366 -0.813 6.942 1.00 0.00 C ATOM 292 CG MET A 20 -12.123 -2.131 6.921 1.00 0.00 C ATOM 293 SD MET A 20 -12.744 -2.549 5.281 1.00 0.00 S ATOM 294 CE MET A 20 -11.227 -3.021 4.454 1.00 0.00 C ATOM 0 H MET A 20 -11.625 -1.185 9.623 1.00 0.00 H new ATOM 0 HA MET A 20 -9.380 -1.157 7.689 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.078 0.003 7.065 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.878 -0.668 5.978 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.467 -2.928 7.271 1.00 0.00 H new ATOM 0 HG3 MET A 20 -12.959 -2.077 7.619 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.226 -2.622 3.440 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.374 -2.620 5.002 1.00 0.00 H new ATOM 0 HE3 MET A 20 -11.156 -4.108 4.417 1.00 0.00 H new ATOM 304 N THR A 21 -9.598 1.511 7.454 1.00 0.00 N ATOM 305 CA THR A 21 -9.317 2.923 7.680 1.00 0.00 C ATOM 306 C THR A 21 -9.922 3.787 6.580 1.00 0.00 C ATOM 307 O THR A 21 -9.929 3.406 5.409 1.00 0.00 O ATOM 308 CB THR A 21 -7.802 3.191 7.751 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.250 2.576 8.922 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.516 4.684 7.775 1.00 0.00 C ATOM 0 H THR A 21 -9.405 1.189 6.505 1.00 0.00 H new ATOM 0 HA THR A 21 -9.770 3.185 8.636 1.00 0.00 H new ATOM 0 HB THR A 21 -7.338 2.763 6.862 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.286 2.749 8.959 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.440 4.847 7.825 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.911 5.145 6.870 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.992 5.132 8.647 1.00 0.00 H new ATOM 318 N THR A 22 -10.431 4.954 6.962 1.00 0.00 N ATOM 319 CA THR A 22 -11.039 5.873 6.008 1.00 0.00 C ATOM 320 C THR A 22 -9.986 6.751 5.342 1.00 0.00 C ATOM 321 O THR A 22 -8.920 6.995 5.907 1.00 0.00 O ATOM 322 CB THR A 22 -12.089 6.774 6.686 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.099 5.970 7.305 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.729 7.713 5.676 1.00 0.00 C ATOM 0 H THR A 22 -10.434 5.285 7.927 1.00 0.00 H new ATOM 0 HA THR A 22 -11.530 5.262 5.251 1.00 0.00 H new ATOM 0 HB THR A 22 -11.586 7.372 7.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.761 6.550 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.467 8.339 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.961 8.344 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.219 7.130 4.896 1.00 0.00 H new ATOM 332 N ILE A 23 -10.292 7.223 4.139 1.00 0.00 N ATOM 333 CA ILE A 23 -9.371 8.076 3.397 1.00 0.00 C ATOM 334 C ILE A 23 -9.286 9.465 4.020 1.00 0.00 C ATOM 335 O ILE A 23 -8.412 9.734 4.844 1.00 0.00 O ATOM 336 CB ILE A 23 -9.794 8.213 1.922 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.625 6.878 1.194 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.983 9.302 1.237 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.231 6.302 1.306 1.00 0.00 C ATOM 0 H ILE A 23 -11.170 7.030 3.657 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.392 7.598 3.443 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.846 8.494 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.340 6.160 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.870 7.014 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.294 9.386 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.149 10.253 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.924 9.048 1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.184 5.356 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.513 7.001 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.990 6.134 2.356 1.00 0.00 H new ATOM 351 N ALA A 24 -10.200 10.344 3.623 1.00 0.00 N ATOM 352 CA ALA A 24 -10.230 11.704 4.144 1.00 0.00 C ATOM 353 C ALA A 24 -11.053 12.620 3.244 1.00 0.00 C ATOM 354 O ALA A 24 -11.804 13.467 3.726 1.00 0.00 O ATOM 355 CB ALA A 24 -8.816 12.243 4.297 1.00 0.00 C ATOM 0 H ALA A 24 -10.930 10.138 2.941 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.705 11.679 5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.855 13.260 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.258 11.610 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.321 12.245 3.326 1.00 0.00 H new ATOM 361 N GLN A 25 -10.904 12.444 1.935 1.00 0.00 N ATOM 362 CA GLN A 25 -11.632 13.256 0.967 1.00 0.00 C ATOM 363 C GLN A 25 -12.787 12.470 0.356 1.00 0.00 C ATOM 364 O GLN A 25 -13.915 12.957 0.286 1.00 0.00 O ATOM 365 CB GLN A 25 -10.690 13.741 -0.135 1.00 0.00 C ATOM 366 CG GLN A 25 -10.367 15.224 -0.052 1.00 0.00 C ATOM 367 CD GLN A 25 -9.913 15.645 1.332 1.00 0.00 C ATOM 368 OE1 GLN A 25 -8.921 15.136 1.855 1.00 0.00 O ATOM 369 NE2 GLN A 25 -10.639 16.581 1.934 1.00 0.00 N ATOM 0 H GLN A 25 -10.286 11.747 1.520 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.042 14.120 1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.762 13.172 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.140 13.530 -1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.587 15.463 -0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.249 15.800 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.454 16.976 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.382 16.905 2.866 1.00 0.00 H new ATOM 378 N CYS A 26 -12.498 11.251 -0.085 1.00 0.00 N ATOM 379 CA CYS A 26 -13.511 10.396 -0.691 1.00 0.00 C ATOM 380 C CYS A 26 -14.202 9.538 0.365 1.00 0.00 C ATOM 381 O CYS A 26 -15.410 9.311 0.301 1.00 0.00 O ATOM 382 CB CYS A 26 -12.880 9.500 -1.759 1.00 0.00 C ATOM 383 SG CYS A 26 -11.338 8.687 -1.230 1.00 0.00 S ATOM 0 H CYS A 26 -11.569 10.832 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 26 -14.258 11.037 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.601 8.735 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.677 10.099 -2.647 1.00 0.00 H new ATOM 388 N GLN A 27 -13.427 9.065 1.335 1.00 0.00 N ATOM 389 CA GLN A 27 -13.964 8.232 2.405 1.00 0.00 C ATOM 390 C GLN A 27 -14.069 6.777 1.962 1.00 0.00 C ATOM 391 O GLN A 27 -15.100 6.131 2.153 1.00 0.00 O ATOM 392 CB GLN A 27 -15.340 8.745 2.837 1.00 0.00 C ATOM 393 CG GLN A 27 -15.450 10.261 2.840 1.00 0.00 C ATOM 394 CD GLN A 27 -15.683 10.826 4.228 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.671 10.499 4.886 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.773 11.682 4.680 1.00 0.00 N ATOM 0 H GLN A 27 -12.425 9.244 1.402 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.280 8.287 3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.098 8.335 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.561 8.371 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.537 10.689 2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.268 10.564 2.186 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.969 11.925 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.878 12.096 5.606 1.00 0.00 H new ATOM 405 N CYS A 28 -12.995 6.266 1.367 1.00 0.00 N ATOM 406 CA CYS A 28 -12.965 4.887 0.896 1.00 0.00 C ATOM 407 C CYS A 28 -12.580 3.934 2.024 1.00 0.00 C ATOM 408 O CYS A 28 -12.170 4.366 3.102 1.00 0.00 O ATOM 409 CB CYS A 28 -11.978 4.745 -0.265 1.00 0.00 C ATOM 410 SG CYS A 28 -12.581 5.427 -1.842 1.00 0.00 S ATOM 0 H CYS A 28 -12.134 6.787 1.200 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.965 4.626 0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.046 5.244 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.746 3.689 -0.403 1.00 0.00 H new ATOM 415 N ILE A 29 -12.718 2.638 1.769 1.00 0.00 N ATOM 416 CA ILE A 29 -12.384 1.624 2.762 1.00 0.00 C ATOM 417 C ILE A 29 -11.181 0.797 2.321 1.00 0.00 C ATOM 418 O ILE A 29 -11.173 0.227 1.230 1.00 0.00 O ATOM 419 CB ILE A 29 -13.573 0.681 3.025 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.740 0.444 4.527 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.374 -0.638 2.294 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.287 1.642 5.271 1.00 0.00 C ATOM 0 H ILE A 29 -13.059 2.265 0.883 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.139 2.153 3.683 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.481 1.150 2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.407 -0.404 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.774 0.172 4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.222 -1.294 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.298 -0.452 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.459 -1.114 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.379 1.402 6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.610 2.487 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.267 1.902 4.872 1.00 0.00 H new ATOM 434 N PHE A 30 -10.167 0.735 3.177 1.00 0.00 N ATOM 435 CA PHE A 30 -8.958 -0.024 2.876 1.00 0.00 C ATOM 436 C PHE A 30 -8.279 -0.495 4.159 1.00 0.00 C ATOM 437 O PHE A 30 -8.060 0.290 5.084 1.00 0.00 O ATOM 438 CB PHE A 30 -7.988 0.827 2.054 1.00 0.00 C ATOM 439 CG PHE A 30 -8.561 1.295 0.747 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.939 0.383 -0.225 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.721 2.646 0.491 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.466 0.810 -1.429 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.248 3.080 -0.711 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.620 2.161 -1.673 1.00 0.00 C ATOM 0 H PHE A 30 -10.158 1.201 4.084 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.244 -0.900 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.690 1.695 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.085 0.249 1.859 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.820 -0.674 -0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.431 3.369 1.239 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.757 0.089 -2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.369 4.137 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.030 2.498 -2.614 1.00 0.00 H new ATOM 454 N CYS A 31 -7.948 -1.781 4.208 1.00 0.00 N ATOM 455 CA CYS A 31 -7.294 -2.358 5.377 1.00 0.00 C ATOM 456 C CYS A 31 -5.997 -1.619 5.696 1.00 0.00 C ATOM 457 O CYS A 31 -5.103 -1.519 4.855 1.00 0.00 O ATOM 458 CB CYS A 31 -7.004 -3.842 5.143 1.00 0.00 C ATOM 459 SG CYS A 31 -5.601 -4.157 4.023 1.00 0.00 S ATOM 0 H CYS A 31 -8.122 -2.443 3.452 1.00 0.00 H new ATOM 0 HA CYS A 31 -7.968 -2.255 6.227 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.803 -4.318 6.103 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.896 -4.316 4.733 1.00 0.00 H new ATOM 464 N THR A 32 -5.903 -1.102 6.917 1.00 0.00 N ATOM 465 CA THR A 32 -4.718 -0.370 7.347 1.00 0.00 C ATOM 466 C THR A 32 -3.450 -0.987 6.767 1.00 0.00 C ATOM 467 O THR A 32 -2.599 -0.284 6.221 1.00 0.00 O ATOM 468 CB THR A 32 -4.604 -0.341 8.883 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.909 -0.290 9.470 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.789 0.860 9.342 1.00 0.00 C ATOM 0 H THR A 32 -6.633 -1.177 7.625 1.00 0.00 H new ATOM 0 HA THR A 32 -4.824 0.650 6.977 1.00 0.00 H new ATOM 0 HB THR A 32 -4.096 -1.250 9.205 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.310 0.588 9.300 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.722 0.860 10.430 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.787 0.804 8.917 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.274 1.778 9.009 1.00 0.00 H new ATOM 478 N LEU A 33 -3.331 -2.305 6.887 1.00 0.00 N ATOM 479 CA LEU A 33 -2.166 -3.018 6.373 1.00 0.00 C ATOM 480 C LEU A 33 -1.795 -2.520 4.979 1.00 0.00 C ATOM 481 O LEU A 33 -0.624 -2.281 4.686 1.00 0.00 O ATOM 482 CB LEU A 33 -2.441 -4.522 6.334 1.00 0.00 C ATOM 483 CG LEU A 33 -2.126 -5.295 7.615 1.00 0.00 C ATOM 484 CD1 LEU A 33 -3.124 -6.426 7.815 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.704 -5.836 7.575 1.00 0.00 C ATOM 0 H LEU A 33 -4.026 -2.901 7.335 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.328 -2.826 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.493 -4.673 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.861 -4.956 5.519 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.209 -4.611 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.884 -6.965 8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.131 -6.014 7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.073 -7.110 6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.497 -6.383 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.593 -6.505 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.002 -5.008 7.480 1.00 0.00 H new ATOM 497 N CYS A 34 -2.801 -2.366 4.125 1.00 0.00 N ATOM 498 CA CYS A 34 -2.582 -1.895 2.763 1.00 0.00 C ATOM 499 C CYS A 34 -2.290 -0.397 2.745 1.00 0.00 C ATOM 500 O CYS A 34 -1.205 0.031 2.346 1.00 0.00 O ATOM 501 CB CYS A 34 -3.803 -2.199 1.893 1.00 0.00 C ATOM 502 SG CYS A 34 -3.900 -3.927 1.324 1.00 0.00 S ATOM 0 H CYS A 34 -3.776 -2.561 4.352 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.717 -2.420 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.705 -1.962 2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.789 -1.542 1.024 1.00 0.00 H new ATOM 507 N LEU A 35 -3.265 0.394 3.178 1.00 0.00 N ATOM 508 CA LEU A 35 -3.114 1.845 3.213 1.00 0.00 C ATOM 509 C LEU A 35 -1.909 2.248 4.058 1.00 0.00 C ATOM 510 O LEU A 35 -1.477 3.400 4.033 1.00 0.00 O ATOM 511 CB LEU A 35 -4.382 2.496 3.769 1.00 0.00 C ATOM 512 CG LEU A 35 -4.798 3.816 3.120 1.00 0.00 C ATOM 513 CD1 LEU A 35 -4.863 3.670 1.607 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.138 4.282 3.670 1.00 0.00 C ATOM 0 H LEU A 35 -4.168 0.056 3.510 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.951 2.193 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.205 1.788 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.240 2.667 4.836 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.047 4.569 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.161 4.620 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.883 3.383 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.592 2.903 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.418 5.223 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.899 3.530 3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.058 4.427 4.747 1.00 0.00 H new ATOM 526 N LYS A 36 -1.370 1.289 4.804 1.00 0.00 N ATOM 527 CA LYS A 36 -0.213 1.541 5.654 1.00 0.00 C ATOM 528 C LYS A 36 1.084 1.238 4.911 1.00 0.00 C ATOM 529 O LYS A 36 1.913 2.123 4.706 1.00 0.00 O ATOM 530 CB LYS A 36 -0.295 0.694 6.926 1.00 0.00 C ATOM 531 CG LYS A 36 0.948 0.780 7.795 1.00 0.00 C ATOM 532 CD LYS A 36 1.430 -0.599 8.216 1.00 0.00 C ATOM 533 CE LYS A 36 2.480 -0.511 9.313 1.00 0.00 C ATOM 534 NZ LYS A 36 3.740 -1.206 8.932 1.00 0.00 N ATOM 0 H LYS A 36 -1.716 0.330 4.837 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.217 2.596 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.159 1.012 7.510 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.463 -0.347 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.740 1.292 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.733 1.378 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.584 -1.190 8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.846 -1.119 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.694 0.536 9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.086 -0.951 10.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.430 -1.123 9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.541 -2.211 8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.130 -0.770 8.072 1.00 0.00 H new ATOM 548 N GLN A 37 1.252 -0.019 4.510 1.00 0.00 N ATOM 549 CA GLN A 37 2.448 -0.437 3.790 1.00 0.00 C ATOM 550 C GLN A 37 2.645 0.399 2.529 1.00 0.00 C ATOM 551 O GLN A 37 3.707 0.363 1.908 1.00 0.00 O ATOM 552 CB GLN A 37 2.357 -1.919 3.423 1.00 0.00 C ATOM 553 CG GLN A 37 3.389 -2.785 4.128 1.00 0.00 C ATOM 554 CD GLN A 37 2.847 -4.150 4.504 1.00 0.00 C ATOM 555 OE1 GLN A 37 1.956 -4.681 3.841 1.00 0.00 O ATOM 556 NE2 GLN A 37 3.383 -4.725 5.575 1.00 0.00 N ATOM 0 H GLN A 37 0.575 -0.764 4.672 1.00 0.00 H new ATOM 0 HA GLN A 37 3.306 -0.284 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.360 -2.285 3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.480 -2.026 2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.257 -2.909 3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.733 -2.274 5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.120 -4.248 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.058 -5.643 5.877 1.00 0.00 H new ATOM 565 N TYR A 38 1.615 1.151 2.158 1.00 0.00 N ATOM 566 CA TYR A 38 1.674 1.995 0.969 1.00 0.00 C ATOM 567 C TYR A 38 2.044 3.428 1.336 1.00 0.00 C ATOM 568 O TYR A 38 2.978 4.003 0.776 1.00 0.00 O ATOM 569 CB TYR A 38 0.330 1.975 0.238 1.00 0.00 C ATOM 570 CG TYR A 38 -0.080 3.322 -0.312 1.00 0.00 C ATOM 571 CD1 TYR A 38 0.718 3.989 -1.234 1.00 0.00 C ATOM 572 CD2 TYR A 38 -1.262 3.929 0.091 1.00 0.00 C ATOM 573 CE1 TYR A 38 0.348 5.221 -1.739 1.00 0.00 C ATOM 574 CE2 TYR A 38 -1.641 5.160 -0.409 1.00 0.00 C ATOM 575 CZ TYR A 38 -0.832 5.802 -1.323 1.00 0.00 C ATOM 576 OH TYR A 38 -1.205 7.029 -1.824 1.00 0.00 O ATOM 0 H TYR A 38 0.730 1.194 2.662 1.00 0.00 H new ATOM 0 HA TYR A 38 2.446 1.597 0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.382 1.258 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.441 1.621 0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.643 3.537 -1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.897 3.430 0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.979 5.726 -2.455 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.565 5.617 -0.086 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.085 6.955 -2.249 1.00 0.00 H new ATOM 586 N VAL A 39 1.308 3.999 2.284 1.00 0.00 N ATOM 587 CA VAL A 39 1.559 5.364 2.729 1.00 0.00 C ATOM 588 C VAL A 39 2.801 5.435 3.610 1.00 0.00 C ATOM 589 O VAL A 39 3.668 6.286 3.410 1.00 0.00 O ATOM 590 CB VAL A 39 0.357 5.931 3.507 1.00 0.00 C ATOM 591 CG1 VAL A 39 -0.944 5.617 2.785 1.00 0.00 C ATOM 592 CG2 VAL A 39 0.335 5.382 4.926 1.00 0.00 C ATOM 0 H VAL A 39 0.533 3.537 2.759 1.00 0.00 H new ATOM 0 HA VAL A 39 1.718 5.965 1.833 1.00 0.00 H new ATOM 0 HB VAL A 39 0.461 7.015 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.782 6.026 3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.925 6.063 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.059 4.537 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.521 5.793 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.256 4.295 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.254 5.664 5.440 1.00 0.00 H new ATOM 602 N GLU A 40 2.879 4.536 4.586 1.00 0.00 N ATOM 603 CA GLU A 40 4.016 4.497 5.498 1.00 0.00 C ATOM 604 C GLU A 40 5.325 4.723 4.747 1.00 0.00 C ATOM 605 O GLU A 40 6.234 5.390 5.246 1.00 0.00 O ATOM 606 CB GLU A 40 4.062 3.156 6.234 1.00 0.00 C ATOM 607 CG GLU A 40 4.821 3.210 7.549 1.00 0.00 C ATOM 608 CD GLU A 40 6.061 2.336 7.543 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.995 2.628 8.319 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.097 1.361 6.764 1.00 0.00 O ATOM 0 H GLU A 40 2.169 3.826 4.765 1.00 0.00 H new ATOM 0 HA GLU A 40 3.892 5.299 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.043 2.821 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.526 2.411 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.108 4.241 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.162 2.894 8.358 1.00 0.00 H new ATOM 617 N LEU A 41 5.414 4.164 3.546 1.00 0.00 N ATOM 618 CA LEU A 41 6.612 4.302 2.724 1.00 0.00 C ATOM 619 C LEU A 41 6.681 5.688 2.091 1.00 0.00 C ATOM 620 O LEU A 41 7.765 6.228 1.868 1.00 0.00 O ATOM 621 CB LEU A 41 6.634 3.230 1.634 1.00 0.00 C ATOM 622 CG LEU A 41 7.511 2.008 1.912 1.00 0.00 C ATOM 623 CD1 LEU A 41 7.625 1.763 3.408 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.951 0.780 1.210 1.00 0.00 C ATOM 0 H LEU A 41 4.671 3.611 3.119 1.00 0.00 H new ATOM 0 HA LEU A 41 7.481 4.173 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.612 2.889 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.972 3.691 0.706 1.00 0.00 H new ATOM 0 HG LEU A 41 8.509 2.203 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.252 0.890 3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.071 2.635 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.633 1.588 3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.587 -0.080 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.942 0.582 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.922 0.957 0.135 1.00 0.00 H new ATOM 636 N LEU A 42 5.516 6.261 1.807 1.00 0.00 N ATOM 637 CA LEU A 42 5.443 7.586 1.201 1.00 0.00 C ATOM 638 C LEU A 42 5.452 8.674 2.270 1.00 0.00 C ATOM 639 O LEU A 42 6.383 9.478 2.343 1.00 0.00 O ATOM 640 CB LEU A 42 4.181 7.708 0.345 1.00 0.00 C ATOM 641 CG LEU A 42 4.294 7.199 -1.093 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.917 6.895 -1.661 1.00 0.00 C ATOM 643 CD2 LEU A 42 5.020 8.216 -1.963 1.00 0.00 C ATOM 0 H LEU A 42 4.610 5.829 1.987 1.00 0.00 H new ATOM 0 HA LEU A 42 6.320 7.717 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.376 7.164 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.886 8.757 0.316 1.00 0.00 H new ATOM 0 HG LEU A 42 4.874 6.276 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.017 6.534 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.433 6.131 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.312 7.802 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.091 7.837 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.467 9.156 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.022 8.384 -1.567 1.00 0.00 H new ATOM 655 N ILE A 43 4.414 8.693 3.099 1.00 0.00 N ATOM 656 CA ILE A 43 4.306 9.680 4.165 1.00 0.00 C ATOM 657 C ILE A 43 5.665 9.961 4.795 1.00 0.00 C ATOM 658 O ILE A 43 5.953 11.086 5.202 1.00 0.00 O ATOM 659 CB ILE A 43 3.329 9.217 5.263 1.00 0.00 C ATOM 660 CG1 ILE A 43 2.060 10.072 5.241 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.997 9.286 6.628 1.00 0.00 C ATOM 662 CD1 ILE A 43 1.229 9.887 3.989 1.00 0.00 C ATOM 0 H ILE A 43 3.636 8.036 3.053 1.00 0.00 H new ATOM 0 HA ILE A 43 3.924 10.594 3.711 1.00 0.00 H new ATOM 0 HB ILE A 43 3.050 8.182 5.068 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.451 9.827 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.337 11.122 5.332 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.295 8.956 7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.874 8.639 6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.301 10.312 6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.345 10.523 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.821 10.160 3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.921 8.845 3.907 1.00 0.00 H new ATOM 674 N LYS A 44 6.499 8.929 4.872 1.00 0.00 N ATOM 675 CA LYS A 44 7.831 9.064 5.450 1.00 0.00 C ATOM 676 C LYS A 44 8.751 9.851 4.521 1.00 0.00 C ATOM 677 O LYS A 44 9.517 10.704 4.968 1.00 0.00 O ATOM 678 CB LYS A 44 8.431 7.683 5.727 1.00 0.00 C ATOM 679 CG LYS A 44 8.565 7.364 7.206 1.00 0.00 C ATOM 680 CD LYS A 44 7.239 7.519 7.932 1.00 0.00 C ATOM 681 CE LYS A 44 6.439 6.226 7.913 1.00 0.00 C ATOM 682 NZ LYS A 44 6.033 5.804 9.282 1.00 0.00 N ATOM 0 H LYS A 44 6.276 7.990 4.541 1.00 0.00 H new ATOM 0 HA LYS A 44 7.738 9.610 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.807 6.924 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.414 7.623 5.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.930 6.344 7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.307 8.024 7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.421 7.820 8.964 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.658 8.314 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.551 6.358 7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.034 5.438 7.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.981 4.766 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.733 6.144 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.101 6.206 9.507 1.00 0.00 H new ATOM 696 N GLU A 45 8.665 9.561 3.226 1.00 0.00 N ATOM 697 CA GLU A 45 9.490 10.243 2.236 1.00 0.00 C ATOM 698 C GLU A 45 9.023 11.683 2.038 1.00 0.00 C ATOM 699 O GLU A 45 9.834 12.604 1.953 1.00 0.00 O ATOM 700 CB GLU A 45 9.448 9.495 0.902 1.00 0.00 C ATOM 701 CG GLU A 45 10.822 9.240 0.303 1.00 0.00 C ATOM 702 CD GLU A 45 11.097 7.766 0.081 1.00 0.00 C ATOM 703 OE1 GLU A 45 10.239 7.086 -0.518 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.170 7.291 0.508 1.00 0.00 O ATOM 0 H GLU A 45 8.033 8.860 2.839 1.00 0.00 H new ATOM 0 HA GLU A 45 10.516 10.258 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.941 8.541 1.046 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.852 10.069 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.904 9.768 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.585 9.653 0.964 1.00 0.00 H new ATOM 711 N GLY A 46 7.708 11.868 1.966 1.00 0.00 N ATOM 712 CA GLY A 46 7.155 13.197 1.778 1.00 0.00 C ATOM 713 C GLY A 46 7.854 13.965 0.674 1.00 0.00 C ATOM 714 O GLY A 46 8.501 14.982 0.928 1.00 0.00 O ATOM 0 H GLY A 46 7.016 11.122 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.094 13.116 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.234 13.755 2.711 1.00 0.00 H new ATOM 718 N LEU A 47 7.727 13.478 -0.555 1.00 0.00 N ATOM 719 CA LEU A 47 8.352 14.125 -1.703 1.00 0.00 C ATOM 720 C LEU A 47 7.349 14.998 -2.450 1.00 0.00 C ATOM 721 O LEU A 47 7.673 16.105 -2.877 1.00 0.00 O ATOM 722 CB LEU A 47 8.936 13.075 -2.650 1.00 0.00 C ATOM 723 CG LEU A 47 7.938 12.080 -3.246 1.00 0.00 C ATOM 724 CD1 LEU A 47 8.496 11.462 -4.518 1.00 0.00 C ATOM 725 CD2 LEU A 47 7.593 10.999 -2.232 1.00 0.00 C ATOM 0 H LEU A 47 7.197 12.637 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 47 9.157 14.762 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.437 13.592 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.700 12.514 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 47 7.024 12.618 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.773 10.757 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.692 12.247 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.425 10.938 -4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.882 10.300 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.499 10.464 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.150 11.458 -1.348 1.00 0.00 H new ATOM 737 N GLU A 48 6.129 14.493 -2.601 1.00 0.00 N ATOM 738 CA GLU A 48 5.079 15.228 -3.295 1.00 0.00 C ATOM 739 C GLU A 48 3.926 14.303 -3.675 1.00 0.00 C ATOM 740 O GLU A 48 2.798 14.750 -3.883 1.00 0.00 O ATOM 741 CB GLU A 48 5.640 15.901 -4.550 1.00 0.00 C ATOM 742 CG GLU A 48 6.648 15.047 -5.300 1.00 0.00 C ATOM 743 CD GLU A 48 8.020 15.686 -5.368 1.00 0.00 C ATOM 744 OE1 GLU A 48 8.104 16.926 -5.234 1.00 0.00 O ATOM 745 OE2 GLU A 48 9.011 14.949 -5.554 1.00 0.00 O ATOM 0 H GLU A 48 5.844 13.578 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 48 4.700 15.994 -2.618 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.816 16.147 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.113 16.842 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.728 14.075 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.285 14.868 -6.312 1.00 0.00 H new ATOM 752 N THR A 49 4.218 13.008 -3.763 1.00 0.00 N ATOM 753 CA THR A 49 3.208 12.020 -4.118 1.00 0.00 C ATOM 754 C THR A 49 1.844 12.398 -3.551 1.00 0.00 C ATOM 755 O THR A 49 0.810 12.100 -4.146 1.00 0.00 O ATOM 756 CB THR A 49 3.591 10.617 -3.610 1.00 0.00 C ATOM 757 OG1 THR A 49 4.879 10.248 -4.117 1.00 0.00 O ATOM 758 CG2 THR A 49 2.558 9.585 -4.036 1.00 0.00 C ATOM 0 H THR A 49 5.146 12.620 -3.593 1.00 0.00 H new ATOM 0 HA THR A 49 3.153 12.002 -5.206 1.00 0.00 H new ATOM 0 HB THR A 49 3.623 10.646 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.830 9.354 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.851 8.603 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.585 9.853 -3.624 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.497 9.559 -5.124 1.00 0.00 H new ATOM 766 N ALA A 50 1.851 13.057 -2.396 1.00 0.00 N ATOM 767 CA ALA A 50 0.615 13.478 -1.750 1.00 0.00 C ATOM 768 C ALA A 50 -0.247 12.276 -1.378 1.00 0.00 C ATOM 769 O ALA A 50 -1.387 12.430 -0.938 1.00 0.00 O ATOM 770 CB ALA A 50 -0.159 14.425 -2.657 1.00 0.00 C ATOM 0 H ALA A 50 2.699 13.310 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 50 0.875 14.004 -0.831 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.080 14.732 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.449 15.304 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.401 13.918 -3.591 1.00 0.00 H new ATOM 776 N ILE A 51 0.303 11.080 -1.557 1.00 0.00 N ATOM 777 CA ILE A 51 -0.416 9.853 -1.239 1.00 0.00 C ATOM 778 C ILE A 51 -1.886 9.961 -1.630 1.00 0.00 C ATOM 779 O ILE A 51 -2.754 10.141 -0.777 1.00 0.00 O ATOM 780 CB ILE A 51 -0.318 9.516 0.260 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.144 9.323 0.668 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.131 8.269 0.577 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.013 10.529 0.386 1.00 0.00 C ATOM 0 H ILE A 51 1.245 10.935 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 51 0.053 9.054 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.728 10.349 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.189 9.094 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.550 8.461 0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.052 8.044 1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.176 8.441 0.319 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.748 7.428 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.036 10.322 0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.998 10.746 -0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.632 11.389 0.936 1.00 0.00 H new ATOM 795 N SER A 52 -2.157 9.846 -2.926 1.00 0.00 N ATOM 796 CA SER A 52 -3.523 9.932 -3.431 1.00 0.00 C ATOM 797 C SER A 52 -4.252 8.605 -3.254 1.00 0.00 C ATOM 798 O SER A 52 -3.633 7.541 -3.224 1.00 0.00 O ATOM 799 CB SER A 52 -3.518 10.331 -4.908 1.00 0.00 C ATOM 800 OG SER A 52 -2.443 9.719 -5.599 1.00 0.00 O ATOM 0 H SER A 52 -1.450 9.693 -3.645 1.00 0.00 H new ATOM 0 HA SER A 52 -4.049 10.695 -2.857 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.462 10.042 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.440 11.415 -4.995 1.00 0.00 H new ATOM 0 HG SER A 52 -2.464 9.989 -6.541 1.00 0.00 H new ATOM 806 N CYS A 53 -5.575 8.674 -3.135 1.00 0.00 N ATOM 807 CA CYS A 53 -6.391 7.480 -2.960 1.00 0.00 C ATOM 808 C CYS A 53 -5.801 6.300 -3.727 1.00 0.00 C ATOM 809 O CYS A 53 -5.394 6.420 -4.884 1.00 0.00 O ATOM 810 CB CYS A 53 -7.823 7.742 -3.429 1.00 0.00 C ATOM 811 SG CYS A 53 -8.940 6.316 -3.241 1.00 0.00 S ATOM 0 H CYS A 53 -6.104 9.546 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.403 7.231 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.229 8.584 -2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.802 8.038 -4.478 1.00 0.00 H new ATOM 816 N PRO A 54 -5.753 5.132 -3.071 1.00 0.00 N ATOM 817 CA PRO A 54 -5.216 3.907 -3.672 1.00 0.00 C ATOM 818 C PRO A 54 -6.114 3.362 -4.777 1.00 0.00 C ATOM 819 O PRO A 54 -5.837 2.310 -5.353 1.00 0.00 O ATOM 820 CB PRO A 54 -5.162 2.929 -2.496 1.00 0.00 C ATOM 821 CG PRO A 54 -6.201 3.419 -1.547 1.00 0.00 C ATOM 822 CD PRO A 54 -6.221 4.915 -1.691 1.00 0.00 C ATOM 0 HA PRO A 54 -4.250 4.076 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.371 1.909 -2.819 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.175 2.921 -2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.176 2.991 -1.781 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.963 3.129 -0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.221 5.320 -1.538 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.567 5.397 -0.964 1.00 0.00 H new ATOM 830 N ASP A 55 -7.190 4.084 -5.069 1.00 0.00 N ATOM 831 CA ASP A 55 -8.128 3.673 -6.107 1.00 0.00 C ATOM 832 C ASP A 55 -7.977 4.541 -7.352 1.00 0.00 C ATOM 833 O ASP A 55 -8.250 5.740 -7.321 1.00 0.00 O ATOM 834 CB ASP A 55 -9.565 3.751 -5.587 1.00 0.00 C ATOM 835 CG ASP A 55 -10.589 3.505 -6.677 1.00 0.00 C ATOM 836 OD1 ASP A 55 -10.261 2.797 -7.652 1.00 0.00 O ATOM 837 OD2 ASP A 55 -11.720 4.020 -6.554 1.00 0.00 O ATOM 0 H ASP A 55 -7.434 4.957 -4.601 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.903 2.641 -6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.701 3.017 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.736 4.733 -5.147 1.00 0.00 H new ATOM 842 N ALA A 56 -7.538 3.927 -8.446 1.00 0.00 N ATOM 843 CA ALA A 56 -7.351 4.644 -9.702 1.00 0.00 C ATOM 844 C ALA A 56 -8.683 4.869 -10.409 1.00 0.00 C ATOM 845 O ALA A 56 -8.719 5.299 -11.562 1.00 0.00 O ATOM 846 CB ALA A 56 -6.392 3.885 -10.605 1.00 0.00 C ATOM 0 H ALA A 56 -7.305 2.935 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.922 5.620 -9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.262 4.432 -11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.428 3.782 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.798 2.896 -10.817 1.00 0.00 H new ATOM 852 N ALA A 57 -9.775 4.573 -9.713 1.00 0.00 N ATOM 853 CA ALA A 57 -11.109 4.743 -10.275 1.00 0.00 C ATOM 854 C ALA A 57 -12.084 5.265 -9.225 1.00 0.00 C ATOM 855 O ALA A 57 -13.285 4.997 -9.292 1.00 0.00 O ATOM 856 CB ALA A 57 -11.609 3.429 -10.856 1.00 0.00 C ATOM 0 H ALA A 57 -9.762 4.214 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.048 5.481 -11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.606 3.571 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.931 3.098 -11.643 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.648 2.675 -10.070 1.00 0.00 H new ATOM 862 N CYS A 58 -11.563 6.009 -8.257 1.00 0.00 N ATOM 863 CA CYS A 58 -12.387 6.568 -7.191 1.00 0.00 C ATOM 864 C CYS A 58 -13.273 7.691 -7.722 1.00 0.00 C ATOM 865 O CYS A 58 -12.830 8.564 -8.469 1.00 0.00 O ATOM 866 CB CYS A 58 -11.504 7.091 -6.057 1.00 0.00 C ATOM 867 SG CYS A 58 -12.433 7.701 -4.613 1.00 0.00 S ATOM 0 H CYS A 58 -10.572 6.240 -8.188 1.00 0.00 H new ATOM 0 HA CYS A 58 -13.028 5.775 -6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.835 6.293 -5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.878 7.897 -6.440 1.00 0.00 H new ATOM 872 N PRO A 59 -14.554 7.671 -7.326 1.00 0.00 N ATOM 873 CA PRO A 59 -15.529 8.681 -7.749 1.00 0.00 C ATOM 874 C PRO A 59 -15.257 10.046 -7.125 1.00 0.00 C ATOM 875 O PRO A 59 -15.776 11.064 -7.584 1.00 0.00 O ATOM 876 CB PRO A 59 -16.862 8.120 -7.246 1.00 0.00 C ATOM 877 CG PRO A 59 -16.495 7.243 -6.098 1.00 0.00 C ATOM 878 CD PRO A 59 -15.150 6.660 -6.437 1.00 0.00 C ATOM 0 HA PRO A 59 -15.500 8.849 -8.826 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -17.535 8.919 -6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -17.374 7.557 -8.026 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.451 7.813 -5.170 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -17.236 6.457 -5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.544 6.502 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.244 5.694 -6.933 1.00 0.00 H new ATOM 886 N LYS A 60 -14.438 10.060 -6.079 1.00 0.00 N ATOM 887 CA LYS A 60 -14.095 11.300 -5.393 1.00 0.00 C ATOM 888 C LYS A 60 -12.584 11.512 -5.377 1.00 0.00 C ATOM 889 O LYS A 60 -12.102 12.567 -4.967 1.00 0.00 O ATOM 890 CB LYS A 60 -14.634 11.281 -3.961 1.00 0.00 C ATOM 891 CG LYS A 60 -16.041 11.838 -3.834 1.00 0.00 C ATOM 892 CD LYS A 60 -16.043 13.207 -3.176 1.00 0.00 C ATOM 893 CE LYS A 60 -16.362 13.112 -1.692 1.00 0.00 C ATOM 894 NZ LYS A 60 -17.652 13.775 -1.357 1.00 0.00 N ATOM 0 H LYS A 60 -13.999 9.226 -5.688 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.555 12.126 -5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.623 10.256 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.965 11.857 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.496 11.908 -4.822 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.653 11.152 -3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.069 13.678 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.777 13.847 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.405 12.064 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.558 13.572 -1.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -17.832 13.688 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.602 14.781 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.424 13.320 -1.885 1.00 0.00 H new ATOM 908 N GLN A 61 -11.845 10.503 -5.825 1.00 0.00 N ATOM 909 CA GLN A 61 -10.389 10.580 -5.862 1.00 0.00 C ATOM 910 C GLN A 61 -9.857 11.387 -4.682 1.00 0.00 C ATOM 911 O GLN A 61 -9.065 12.312 -4.855 1.00 0.00 O ATOM 912 CB GLN A 61 -9.924 11.211 -7.175 1.00 0.00 C ATOM 913 CG GLN A 61 -10.910 11.033 -8.318 1.00 0.00 C ATOM 914 CD GLN A 61 -10.485 11.765 -9.576 1.00 0.00 C ATOM 915 OE1 GLN A 61 -10.318 11.158 -10.635 1.00 0.00 O ATOM 916 NE2 GLN A 61 -10.308 13.076 -9.467 1.00 0.00 N ATOM 0 H GLN A 61 -12.230 9.623 -6.167 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.995 9.566 -5.794 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.753 12.276 -7.016 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.967 10.773 -7.460 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -11.016 9.971 -8.539 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.890 11.393 -8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.458 13.538 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.022 13.621 -10.280 1.00 0.00 H new ATOM 925 N GLY A 62 -10.300 11.029 -3.480 1.00 0.00 N ATOM 926 CA GLY A 62 -9.857 11.730 -2.288 1.00 0.00 C ATOM 927 C GLY A 62 -8.440 11.365 -1.893 1.00 0.00 C ATOM 928 O GLY A 62 -8.181 10.247 -1.447 1.00 0.00 O ATOM 0 H GLY A 62 -10.957 10.267 -3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.918 12.805 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.531 11.500 -1.463 1.00 0.00 H new ATOM 932 N HIS A 63 -7.519 12.310 -2.058 1.00 0.00 N ATOM 933 CA HIS A 63 -6.120 12.082 -1.717 1.00 0.00 C ATOM 934 C HIS A 63 -5.925 12.069 -0.204 1.00 0.00 C ATOM 935 O HIS A 63 -6.808 12.482 0.550 1.00 0.00 O ATOM 936 CB HIS A 63 -5.237 13.159 -2.348 1.00 0.00 C ATOM 937 CG HIS A 63 -4.513 14.003 -1.344 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.137 14.588 -0.263 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.209 14.357 -1.262 1.00 0.00 C ATOM 940 CE1 HIS A 63 -4.248 15.267 0.441 1.00 0.00 C ATOM 941 NE2 HIS A 63 -3.071 15.143 -0.144 1.00 0.00 N ATOM 0 H HIS A 63 -7.717 13.241 -2.426 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.829 11.108 -2.111 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.508 12.682 -3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.855 13.803 -2.974 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.129 14.509 -0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.424 14.074 -1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.450 15.828 1.342 1.00 0.00 H new ATOM 949 N LEU A 64 -4.766 11.592 0.235 1.00 0.00 N ATOM 950 CA LEU A 64 -4.455 11.524 1.658 1.00 0.00 C ATOM 951 C LEU A 64 -3.420 12.578 2.041 1.00 0.00 C ATOM 952 O LEU A 64 -2.680 13.070 1.190 1.00 0.00 O ATOM 953 CB LEU A 64 -3.939 10.130 2.022 1.00 0.00 C ATOM 954 CG LEU A 64 -4.946 8.987 1.894 1.00 0.00 C ATOM 955 CD1 LEU A 64 -4.243 7.700 1.492 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.705 8.797 3.199 1.00 0.00 C ATOM 0 H LEU A 64 -4.025 11.246 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.371 11.722 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.082 9.905 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.577 10.155 3.050 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.663 9.244 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.975 6.897 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.745 7.842 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.504 7.437 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.418 7.979 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.002 8.561 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.240 9.714 3.446 1.00 0.00 H new ATOM 968 N GLN A 65 -3.376 12.917 3.325 1.00 0.00 N ATOM 969 CA GLN A 65 -2.431 13.912 3.819 1.00 0.00 C ATOM 970 C GLN A 65 -1.111 13.259 4.214 1.00 0.00 C ATOM 971 O GLN A 65 -1.008 12.034 4.274 1.00 0.00 O ATOM 972 CB GLN A 65 -3.024 14.658 5.016 1.00 0.00 C ATOM 973 CG GLN A 65 -4.515 14.428 5.199 1.00 0.00 C ATOM 974 CD GLN A 65 -4.821 13.135 5.929 1.00 0.00 C ATOM 975 OE1 GLN A 65 -5.905 12.965 6.487 1.00 0.00 O ATOM 976 NE2 GLN A 65 -3.863 12.214 5.930 1.00 0.00 N ATOM 0 H GLN A 65 -3.983 12.518 4.041 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.237 14.624 3.016 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.503 14.347 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.842 15.726 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.942 15.264 5.753 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.999 14.413 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.979 12.397 5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -4.011 11.324 6.406 1.00 0.00 H new ATOM 985 N GLU A 66 -0.105 14.085 4.482 1.00 0.00 N ATOM 986 CA GLU A 66 1.209 13.586 4.870 1.00 0.00 C ATOM 987 C GLU A 66 1.323 13.476 6.389 1.00 0.00 C ATOM 988 O GLU A 66 1.978 12.573 6.908 1.00 0.00 O ATOM 989 CB GLU A 66 2.308 14.506 4.332 1.00 0.00 C ATOM 990 CG GLU A 66 2.950 14.001 3.051 1.00 0.00 C ATOM 991 CD GLU A 66 3.269 15.120 2.078 1.00 0.00 C ATOM 992 OE1 GLU A 66 2.522 16.122 2.061 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.264 14.995 1.334 1.00 0.00 O ATOM 0 H GLU A 66 -0.174 15.102 4.438 1.00 0.00 H new ATOM 0 HA GLU A 66 1.333 12.592 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.887 15.495 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.079 14.622 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.867 13.465 3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.281 13.287 2.571 1.00 0.00 H new ATOM 1000 N ASN A 67 0.680 14.401 7.094 1.00 0.00 N ATOM 1001 CA ASN A 67 0.709 14.408 8.551 1.00 0.00 C ATOM 1002 C ASN A 67 -0.355 13.476 9.121 1.00 0.00 C ATOM 1003 O ASN A 67 -0.037 12.485 9.778 1.00 0.00 O ATOM 1004 CB ASN A 67 0.495 15.829 9.079 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.547 15.885 10.180 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -0.370 15.298 11.247 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.640 16.594 9.924 1.00 0.00 N ATOM 0 H ASN A 67 0.133 15.155 6.679 1.00 0.00 H new ATOM 0 HA ASN A 67 1.688 14.052 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.440 16.220 9.456 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.187 16.477 8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.376 16.668 10.627 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.744 17.064 9.025 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.618 13.801 8.865 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.729 12.993 9.353 1.00 0.00 C ATOM 1016 C GLU A 68 -2.418 11.505 9.220 1.00 0.00 C ATOM 1017 O GLU A 68 -2.651 10.726 10.146 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.009 13.327 8.584 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.108 13.909 9.457 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.105 12.861 9.916 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -5.766 12.083 10.832 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.221 12.819 9.358 1.00 0.00 O ATOM 0 H GLU A 68 -1.897 14.618 8.322 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.877 13.224 10.408 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.772 14.037 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.380 12.423 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.660 14.386 10.329 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.633 14.687 8.903 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.889 11.117 8.064 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.545 9.723 7.811 1.00 0.00 C ATOM 1031 C ILE A 69 -0.401 9.268 8.710 1.00 0.00 C ATOM 1032 O ILE A 69 -0.562 8.355 9.520 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.147 9.501 6.341 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.389 9.507 5.446 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.387 8.191 6.190 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.418 8.375 4.443 1.00 0.00 C ATOM 0 H ILE A 69 -1.689 11.748 7.288 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.434 9.132 8.032 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.494 10.317 6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.279 9.449 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.437 10.456 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.112 8.048 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.515 8.221 6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.019 7.364 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.326 8.443 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.547 8.444 3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.402 7.421 4.970 1.00 0.00 H new ATOM 1048 N GLU A 70 0.753 9.910 8.563 1.00 0.00 N ATOM 1049 CA GLU A 70 1.924 9.570 9.364 1.00 0.00 C ATOM 1050 C GLU A 70 1.573 9.523 10.848 1.00 0.00 C ATOM 1051 O GLU A 70 2.307 8.948 11.651 1.00 0.00 O ATOM 1052 CB GLU A 70 3.044 10.586 9.126 1.00 0.00 C ATOM 1053 CG GLU A 70 3.041 11.738 10.116 1.00 0.00 C ATOM 1054 CD GLU A 70 4.247 12.644 9.959 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.719 12.809 8.815 1.00 0.00 O ATOM 1056 OE2 GLU A 70 4.718 13.189 10.980 1.00 0.00 O ATOM 0 H GLU A 70 0.903 10.668 7.897 1.00 0.00 H new ATOM 0 HA GLU A 70 2.268 8.582 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.005 10.074 9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.952 10.986 8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.131 12.324 9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.019 11.340 11.131 1.00 0.00 H new ATOM 1063 N CYS A 71 0.447 10.131 11.203 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.002 10.160 12.591 1.00 0.00 C ATOM 1065 C CYS A 71 -0.592 8.813 13.000 1.00 0.00 C ATOM 1066 O CYS A 71 -0.467 8.393 14.149 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.039 11.266 12.791 1.00 0.00 C ATOM 1068 SG CYS A 71 -2.376 10.828 13.927 1.00 0.00 S ATOM 0 H CYS A 71 -0.172 10.611 10.549 1.00 0.00 H new ATOM 0 HA CYS A 71 0.863 10.365 13.222 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.536 12.157 13.166 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.469 11.525 11.824 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.201 11.827 14.032 1.00 0.00 H new ATOM 1074 N MET A 72 -1.236 8.143 12.050 1.00 0.00 N ATOM 1075 CA MET A 72 -1.845 6.844 12.312 1.00 0.00 C ATOM 1076 C MET A 72 -0.820 5.724 12.168 1.00 0.00 C ATOM 1077 O MET A 72 -1.155 4.545 12.276 1.00 0.00 O ATOM 1078 CB MET A 72 -3.016 6.605 11.357 1.00 0.00 C ATOM 1079 CG MET A 72 -2.607 5.965 10.040 1.00 0.00 C ATOM 1080 SD MET A 72 -3.363 6.765 8.613 1.00 0.00 S ATOM 1081 CE MET A 72 -3.138 5.506 7.360 1.00 0.00 C ATOM 0 H MET A 72 -1.350 8.477 11.093 1.00 0.00 H new ATOM 0 HA MET A 72 -2.215 6.844 13.337 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.750 5.967 11.849 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.507 7.556 11.152 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.522 6.006 9.942 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.886 4.911 10.051 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.556 5.854 6.415 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.074 5.304 7.234 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.646 4.592 7.667 1.00 0.00 H new ATOM 1091 N VAL A 73 0.431 6.100 11.923 1.00 0.00 N ATOM 1092 CA VAL A 73 1.505 5.127 11.766 1.00 0.00 C ATOM 1093 C VAL A 73 2.729 5.521 12.585 1.00 0.00 C ATOM 1094 O VAL A 73 3.047 4.885 13.590 1.00 0.00 O ATOM 1095 CB VAL A 73 1.916 4.978 10.289 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.216 3.785 9.657 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.610 6.255 9.520 1.00 0.00 C ATOM 0 H VAL A 73 0.726 7.072 11.829 1.00 0.00 H new ATOM 0 HA VAL A 73 1.122 4.173 12.127 1.00 0.00 H new ATOM 0 HB VAL A 73 2.991 4.803 10.245 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.519 3.696 8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.490 2.876 10.193 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.137 3.926 9.711 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.907 6.132 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.541 6.463 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.163 7.086 9.959 1.00 0.00 H new ATOM 1107 N ALA A 74 3.412 6.574 12.149 1.00 0.00 N ATOM 1108 CA ALA A 74 4.600 7.056 12.843 1.00 0.00 C ATOM 1109 C ALA A 74 4.224 7.970 14.004 1.00 0.00 C ATOM 1110 O ALA A 74 4.932 8.931 14.304 1.00 0.00 O ATOM 1111 CB ALA A 74 5.521 7.781 11.873 1.00 0.00 C ATOM 0 H ALA A 74 3.163 7.110 11.318 1.00 0.00 H new ATOM 0 HA ALA A 74 5.128 6.194 13.250 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.404 8.135 12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.825 7.097 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.995 8.630 11.437 1.00 0.00 H new ATOM 1117 N ALA A 75 3.105 7.665 14.654 1.00 0.00 N ATOM 1118 CA ALA A 75 2.636 8.460 15.782 1.00 0.00 C ATOM 1119 C ALA A 75 3.803 8.927 16.646 1.00 0.00 C ATOM 1120 O ALA A 75 3.921 10.124 16.903 1.00 0.00 O ATOM 1121 CB ALA A 75 1.647 7.659 16.616 1.00 0.00 C ATOM 0 H ALA A 75 2.507 6.873 14.418 1.00 0.00 H new ATOM 0 HA ALA A 75 2.132 9.343 15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.305 8.264 17.455 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.794 7.379 15.999 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.133 6.759 16.992 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.168 -4.436 1.783 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -11.136 6.972 -2.820 1.00 0.00 ZN