USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 739 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 79 THR OG1 : rot 144:sc=-0.000277 USER MOD Set 1.2: A 84 HIS : no HE2:sc= -6.84! C(o=-6.8!,f=-8!) USER MOD Set 2.1: A 78 HIS : no HD1:sc= -1.04 K(o=0.01,f=1.3) USER MOD Set 2.2: A 83 TYR OH : rot 77:sc= 1.05 USER MOD Set 3.1: A 68 CYS SG : rot -24:sc= -1.81 USER MOD Set 3.2: A 74 THR OG1 : rot 81:sc= -0.595! USER MOD Set 4.1: A 8 HIS : no HE2:sc= -15! C(o=-15!,f=-12!) USER MOD Set 4.2: A 57 MET CE :methyl 151:sc= -0.259 (180deg=-1.62) USER MOD Set 5.1: A 40 CYS SG : rot 180:sc= -2.86! USER MOD Set 5.2: A 42 SER OG : rot 59:sc= 0.694 USER MOD Set 6.1: A 23 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Set 6.2: A 26 ASN : amide:sc= 0 X(o=-0.14,f=-0.14) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 10:sc= 0.281 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -132:sc=-0.00842 (180deg=-0.374) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.776 X(o=-0.78,f=-0.44) USER MOD Single : A 38 SER OG : rot 99:sc= 0.0136 USER MOD Single : A 44 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.138) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 56 GLN : amide:sc= -5.28! K(o=-5.3!,f=-3.9) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.885 K(o=-0.88,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.406 -2.026 -4.331 1.00 0.00 N ATOM 2 CA ALA A 1 -17.316 -2.294 -3.348 1.00 0.00 C ATOM 3 C ALA A 1 -17.651 -1.652 -1.999 1.00 0.00 C ATOM 4 O ALA A 1 -17.084 -0.646 -1.621 1.00 0.00 O ATOM 5 CB ALA A 1 -16.068 -1.651 -3.952 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.168 -2.466 -5.242 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.299 -2.425 -3.977 1.00 0.00 H new ATOM 0 H3 ALA A 1 -18.513 -1.000 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.177 -3.360 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.220 -1.806 -3.285 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.856 -2.106 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.236 -0.582 -4.083 1.00 0.00 H new ATOM 13 N LYS A 2 -18.575 -2.221 -1.274 1.00 0.00 N ATOM 14 CA LYS A 2 -18.952 -1.642 0.046 1.00 0.00 C ATOM 15 C LYS A 2 -17.733 -1.612 0.974 1.00 0.00 C ATOM 16 O LYS A 2 -17.497 -0.650 1.677 1.00 0.00 O ATOM 17 CB LYS A 2 -20.031 -2.580 0.588 1.00 0.00 C ATOM 18 CG LYS A 2 -20.681 -1.961 1.827 1.00 0.00 C ATOM 19 CD LYS A 2 -21.786 -2.890 2.337 1.00 0.00 C ATOM 20 CE LYS A 2 -22.537 -2.212 3.485 1.00 0.00 C ATOM 21 NZ LYS A 2 -23.130 -3.332 4.269 1.00 0.00 N ATOM 0 H LYS A 2 -19.086 -3.063 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.310 -0.615 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -20.786 -2.762 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.593 -3.546 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.933 -1.806 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.096 -0.983 1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.476 -3.129 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.355 -3.832 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.864 -1.613 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -23.309 -1.540 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.662 -2.948 5.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -23.771 -3.880 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.371 -3.951 4.619 1.00 0.00 H new ATOM 35 N THR A 3 -16.933 -2.644 0.943 1.00 0.00 N ATOM 36 CA THR A 3 -15.698 -2.662 1.783 1.00 0.00 C ATOM 37 C THR A 3 -14.531 -3.271 0.998 1.00 0.00 C ATOM 38 O THR A 3 -14.727 -4.030 0.069 1.00 0.00 O ATOM 39 CB THR A 3 -16.045 -3.541 2.986 1.00 0.00 C ATOM 40 OG1 THR A 3 -16.403 -4.839 2.534 1.00 0.00 O ATOM 41 CG2 THR A 3 -17.215 -2.924 3.754 1.00 0.00 C ATOM 0 H THR A 3 -17.081 -3.476 0.372 1.00 0.00 H new ATOM 0 HA THR A 3 -15.393 -1.660 2.084 1.00 0.00 H new ATOM 0 HB THR A 3 -15.180 -3.611 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 3 -16.195 -4.922 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.460 -3.552 4.610 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.938 -1.929 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 3 -18.082 -2.850 3.098 1.00 0.00 H new ATOM 49 N ALA A 4 -13.319 -2.952 1.367 1.00 0.00 N ATOM 50 CA ALA A 4 -12.147 -3.522 0.647 1.00 0.00 C ATOM 51 C ALA A 4 -11.054 -3.920 1.644 1.00 0.00 C ATOM 52 O ALA A 4 -10.766 -3.202 2.581 1.00 0.00 O ATOM 53 CB ALA A 4 -11.656 -2.390 -0.255 1.00 0.00 C ATOM 0 H ALA A 4 -13.092 -2.321 2.136 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.404 -4.418 0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.790 -2.728 -0.824 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.451 -2.101 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -11.376 -1.532 0.357 1.00 0.00 H new ATOM 59 N ALA A 5 -10.367 -4.998 1.379 1.00 0.00 N ATOM 60 CA ALA A 5 -9.201 -5.370 2.231 1.00 0.00 C ATOM 61 C ALA A 5 -7.922 -4.823 1.597 1.00 0.00 C ATOM 62 O ALA A 5 -7.755 -4.875 0.395 1.00 0.00 O ATOM 63 CB ALA A 5 -9.183 -6.899 2.235 1.00 0.00 C ATOM 0 H ALA A 5 -10.563 -5.638 0.609 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.269 -4.967 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.350 -7.251 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -10.119 -7.273 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.067 -7.264 1.215 1.00 0.00 H new ATOM 69 N ALA A 6 -7.105 -4.148 2.357 1.00 0.00 N ATOM 70 CA ALA A 6 -5.957 -3.436 1.727 1.00 0.00 C ATOM 71 C ALA A 6 -4.732 -3.413 2.652 1.00 0.00 C ATOM 72 O ALA A 6 -4.814 -3.027 3.802 1.00 0.00 O ATOM 73 CB ALA A 6 -6.481 -2.023 1.482 1.00 0.00 C ATOM 0 H ALA A 6 -7.179 -4.059 3.370 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.623 -3.926 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.700 -1.421 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.347 -2.066 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.770 -1.572 2.431 1.00 0.00 H new ATOM 79 N LEU A 7 -3.574 -3.698 2.111 1.00 0.00 N ATOM 80 CA LEU A 7 -2.312 -3.555 2.902 1.00 0.00 C ATOM 81 C LEU A 7 -1.530 -2.335 2.405 1.00 0.00 C ATOM 82 O LEU A 7 -1.660 -1.936 1.266 1.00 0.00 O ATOM 83 CB LEU A 7 -1.531 -4.841 2.633 1.00 0.00 C ATOM 84 CG LEU A 7 -2.359 -6.041 3.097 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.593 -7.334 2.810 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.619 -5.923 4.599 1.00 0.00 C ATOM 0 H LEU A 7 -3.447 -4.024 1.153 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.496 -3.410 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.307 -4.928 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.577 -4.818 3.159 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.308 -6.059 2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.184 -8.188 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.405 -7.416 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.643 -7.321 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.209 -6.776 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.669 -5.907 5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.165 -5.002 4.802 1.00 0.00 H new ATOM 98 N HIS A 8 -0.780 -1.689 3.259 1.00 0.00 N ATOM 99 CA HIS A 8 -0.075 -0.444 2.815 1.00 0.00 C ATOM 100 C HIS A 8 1.374 -0.406 3.315 1.00 0.00 C ATOM 101 O HIS A 8 1.637 -0.604 4.485 1.00 0.00 O ATOM 102 CB HIS A 8 -0.865 0.716 3.432 1.00 0.00 C ATOM 103 CG HIS A 8 -2.265 0.741 2.886 1.00 0.00 C ATOM 104 ND1 HIS A 8 -2.760 1.828 2.184 1.00 0.00 N ATOM 105 CD2 HIS A 8 -3.296 -0.165 2.946 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.034 1.554 1.854 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.411 0.351 2.294 1.00 0.00 N ATOM 0 H HIS A 8 -0.625 -1.961 4.230 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.032 -0.391 1.727 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.892 0.611 4.517 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.366 1.661 3.216 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -2.250 2.682 1.958 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.248 -1.131 3.426 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.674 2.225 1.301 1.00 0.00 H new ATOM 115 N ILE A 9 2.258 0.113 2.505 1.00 0.00 N ATOM 116 CA ILE A 9 3.616 0.472 3.014 1.00 0.00 C ATOM 117 C ILE A 9 3.968 1.896 2.576 1.00 0.00 C ATOM 118 O ILE A 9 3.835 2.248 1.420 1.00 0.00 O ATOM 119 CB ILE A 9 4.592 -0.523 2.385 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.233 -1.947 2.806 1.00 0.00 C ATOM 121 CG2 ILE A 9 6.013 -0.192 2.846 1.00 0.00 C ATOM 122 CD1 ILE A 9 5.087 -2.941 2.013 1.00 0.00 C ATOM 0 H ILE A 9 2.100 0.304 1.516 1.00 0.00 H new ATOM 0 HA ILE A 9 3.659 0.431 4.102 1.00 0.00 H new ATOM 0 HB ILE A 9 4.531 -0.451 1.299 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.403 -2.076 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.175 -2.135 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.714 -0.898 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.270 0.820 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.069 -0.262 3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.833 -3.958 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.895 -2.817 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.142 -2.756 2.215 1.00 0.00 H new ATOM 134 N LEU A 10 4.414 2.712 3.487 1.00 0.00 N ATOM 135 CA LEU A 10 4.779 4.111 3.123 1.00 0.00 C ATOM 136 C LEU A 10 6.303 4.260 3.072 1.00 0.00 C ATOM 137 O LEU A 10 6.984 4.076 4.061 1.00 0.00 O ATOM 138 CB LEU A 10 4.195 4.977 4.244 1.00 0.00 C ATOM 139 CG LEU A 10 3.982 6.413 3.745 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.795 7.346 4.943 1.00 0.00 C ATOM 141 CD2 LEU A 10 5.195 6.869 2.930 1.00 0.00 C ATOM 0 H LEU A 10 4.542 2.472 4.470 1.00 0.00 H new ATOM 0 HA LEU A 10 4.396 4.398 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.248 4.557 4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.868 4.978 5.102 1.00 0.00 H new ATOM 0 HG LEU A 10 3.094 6.443 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.644 8.366 4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.926 7.029 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.682 7.309 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.036 7.889 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.087 6.835 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.327 6.208 2.074 1.00 0.00 H new ATOM 153 N VAL A 11 6.841 4.625 1.939 1.00 0.00 N ATOM 154 CA VAL A 11 8.322 4.822 1.850 1.00 0.00 C ATOM 155 C VAL A 11 8.657 6.315 1.814 1.00 0.00 C ATOM 156 O VAL A 11 8.181 7.050 0.974 1.00 0.00 O ATOM 157 CB VAL A 11 8.763 4.158 0.540 1.00 0.00 C ATOM 158 CG1 VAL A 11 10.262 3.854 0.606 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.991 2.853 0.326 1.00 0.00 C ATOM 0 H VAL A 11 6.326 4.795 1.075 1.00 0.00 H new ATOM 0 HA VAL A 11 8.831 4.389 2.712 1.00 0.00 H new ATOM 0 HB VAL A 11 8.558 4.835 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.579 3.382 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.816 4.782 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.460 3.181 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.312 2.389 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.188 2.174 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.923 3.066 0.277 1.00 0.00 H new ATOM 169 N LYS A 12 9.515 6.751 2.692 1.00 0.00 N ATOM 170 CA LYS A 12 9.939 8.182 2.685 1.00 0.00 C ATOM 171 C LYS A 12 10.794 8.478 1.447 1.00 0.00 C ATOM 172 O LYS A 12 10.757 9.564 0.904 1.00 0.00 O ATOM 173 CB LYS A 12 10.777 8.350 3.954 1.00 0.00 C ATOM 174 CG LYS A 12 9.876 8.268 5.188 1.00 0.00 C ATOM 175 CD LYS A 12 9.067 9.560 5.321 1.00 0.00 C ATOM 176 CE LYS A 12 8.502 9.667 6.739 1.00 0.00 C ATOM 177 NZ LYS A 12 7.137 9.075 6.656 1.00 0.00 N ATOM 0 H LYS A 12 9.944 6.177 3.418 1.00 0.00 H new ATOM 0 HA LYS A 12 9.088 8.862 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.543 7.575 4.000 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.295 9.309 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.204 7.414 5.104 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.480 8.112 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.699 10.421 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.255 9.570 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.124 9.127 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.463 10.704 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.685 9.112 7.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.566 9.614 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.206 8.085 6.344 1.00 0.00 H new ATOM 191 N GLU A 13 11.658 7.568 1.083 1.00 0.00 N ATOM 192 CA GLU A 13 12.625 7.855 -0.018 1.00 0.00 C ATOM 193 C GLU A 13 12.280 7.049 -1.272 1.00 0.00 C ATOM 194 O GLU A 13 11.971 5.875 -1.206 1.00 0.00 O ATOM 195 CB GLU A 13 13.985 7.425 0.529 1.00 0.00 C ATOM 196 CG GLU A 13 14.421 8.391 1.630 1.00 0.00 C ATOM 197 CD GLU A 13 15.657 7.832 2.338 1.00 0.00 C ATOM 198 OE1 GLU A 13 16.723 7.877 1.747 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.515 7.364 3.455 1.00 0.00 O ATOM 0 H GLU A 13 11.736 6.640 1.499 1.00 0.00 H new ATOM 0 HA GLU A 13 12.607 8.906 -0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.926 6.411 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.724 7.413 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.644 9.369 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.611 8.533 2.346 1.00 0.00 H new ATOM 206 N GLU A 14 12.414 7.653 -2.420 1.00 0.00 N ATOM 207 CA GLU A 14 12.183 6.903 -3.691 1.00 0.00 C ATOM 208 C GLU A 14 13.155 5.723 -3.798 1.00 0.00 C ATOM 209 O GLU A 14 12.769 4.617 -4.121 1.00 0.00 O ATOM 210 CB GLU A 14 12.451 7.913 -4.810 1.00 0.00 C ATOM 211 CG GLU A 14 11.301 8.923 -4.886 1.00 0.00 C ATOM 212 CD GLU A 14 11.590 9.937 -5.993 1.00 0.00 C ATOM 213 OE1 GLU A 14 12.684 10.478 -6.002 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.715 10.155 -6.814 1.00 0.00 O ATOM 0 H GLU A 14 12.673 8.633 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 14 11.174 6.493 -3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.391 8.432 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.555 7.394 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.362 8.407 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.187 9.434 -3.930 1.00 0.00 H new ATOM 221 N LYS A 15 14.416 5.955 -3.548 1.00 0.00 N ATOM 222 CA LYS A 15 15.414 4.852 -3.658 1.00 0.00 C ATOM 223 C LYS A 15 15.054 3.712 -2.703 1.00 0.00 C ATOM 224 O LYS A 15 15.143 2.550 -3.047 1.00 0.00 O ATOM 225 CB LYS A 15 16.745 5.485 -3.258 1.00 0.00 C ATOM 226 CG LYS A 15 17.193 6.464 -4.344 1.00 0.00 C ATOM 227 CD LYS A 15 18.526 7.099 -3.944 1.00 0.00 C ATOM 228 CE LYS A 15 18.972 8.077 -5.031 1.00 0.00 C ATOM 229 NZ LYS A 15 20.165 8.765 -4.461 1.00 0.00 N ATOM 0 H LYS A 15 14.798 6.860 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 15 15.448 4.425 -4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.641 6.005 -2.306 1.00 0.00 H new ATOM 0 HB3 LYS A 15 17.500 4.711 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.298 5.944 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.438 7.237 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.422 7.620 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.281 6.326 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.221 7.555 -5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.182 8.789 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.530 9.454 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.896 9.259 -3.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.902 8.063 -4.249 1.00 0.00 H new ATOM 243 N LEU A 16 14.626 4.036 -1.515 1.00 0.00 N ATOM 244 CA LEU A 16 14.239 2.973 -0.549 1.00 0.00 C ATOM 245 C LEU A 16 12.977 2.262 -1.045 1.00 0.00 C ATOM 246 O LEU A 16 12.884 1.050 -1.020 1.00 0.00 O ATOM 247 CB LEU A 16 13.972 3.711 0.763 1.00 0.00 C ATOM 248 CG LEU A 16 14.007 2.718 1.924 1.00 0.00 C ATOM 249 CD1 LEU A 16 14.776 3.334 3.095 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.577 2.397 2.364 1.00 0.00 C ATOM 0 H LEU A 16 14.528 4.992 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 16 15.008 2.210 -0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.720 4.489 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 16 13.002 4.206 0.723 1.00 0.00 H new ATOM 0 HG LEU A 16 14.502 1.801 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.802 2.628 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.794 3.563 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.280 4.250 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.601 1.689 3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.081 3.313 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.029 1.960 1.529 1.00 0.00 H new ATOM 262 N ALA A 17 12.046 3.001 -1.584 1.00 0.00 N ATOM 263 CA ALA A 17 10.841 2.361 -2.184 1.00 0.00 C ATOM 264 C ALA A 17 11.264 1.403 -3.301 1.00 0.00 C ATOM 265 O ALA A 17 10.826 0.271 -3.360 1.00 0.00 O ATOM 266 CB ALA A 17 10.021 3.521 -2.751 1.00 0.00 C ATOM 0 H ALA A 17 12.068 4.020 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 17 10.272 1.778 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.113 3.133 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.755 4.206 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.610 4.052 -3.499 1.00 0.00 H new ATOM 272 N LEU A 18 12.181 1.818 -4.134 1.00 0.00 N ATOM 273 CA LEU A 18 12.712 0.896 -5.179 1.00 0.00 C ATOM 274 C LEU A 18 13.348 -0.328 -4.520 1.00 0.00 C ATOM 275 O LEU A 18 13.139 -1.450 -4.936 1.00 0.00 O ATOM 276 CB LEU A 18 13.767 1.711 -5.929 1.00 0.00 C ATOM 277 CG LEU A 18 13.347 1.886 -7.392 1.00 0.00 C ATOM 278 CD1 LEU A 18 13.262 3.377 -7.725 1.00 0.00 C ATOM 279 CD2 LEU A 18 14.383 1.220 -8.300 1.00 0.00 C ATOM 0 H LEU A 18 12.585 2.755 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 18 11.932 0.531 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.889 2.686 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.733 1.208 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 18 12.372 1.424 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.963 3.501 -8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.526 3.853 -7.077 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.236 3.841 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.087 1.343 -9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.357 1.684 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.445 0.158 -8.063 1.00 0.00 H new ATOM 291 N ASP A 19 14.100 -0.120 -3.477 1.00 0.00 N ATOM 292 CA ASP A 19 14.728 -1.271 -2.768 1.00 0.00 C ATOM 293 C ASP A 19 13.648 -2.222 -2.246 1.00 0.00 C ATOM 294 O ASP A 19 13.766 -3.427 -2.348 1.00 0.00 O ATOM 295 CB ASP A 19 15.499 -0.642 -1.608 1.00 0.00 C ATOM 296 CG ASP A 19 16.192 -1.742 -0.800 1.00 0.00 C ATOM 297 OD1 ASP A 19 15.495 -2.490 -0.136 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.408 -1.815 -0.860 1.00 0.00 O ATOM 0 H ASP A 19 14.308 0.798 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 19 15.377 -1.857 -3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.237 0.064 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.819 -0.079 -0.968 1.00 0.00 H new ATOM 303 N LEU A 20 12.582 -1.690 -1.709 1.00 0.00 N ATOM 304 CA LEU A 20 11.485 -2.566 -1.211 1.00 0.00 C ATOM 305 C LEU A 20 10.860 -3.336 -2.384 1.00 0.00 C ATOM 306 O LEU A 20 10.604 -4.521 -2.298 1.00 0.00 O ATOM 307 CB LEU A 20 10.496 -1.594 -0.519 1.00 0.00 C ATOM 308 CG LEU A 20 9.152 -1.505 -1.261 1.00 0.00 C ATOM 309 CD1 LEU A 20 8.404 -2.832 -1.127 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.307 -0.386 -0.654 1.00 0.00 C ATOM 0 H LEU A 20 12.425 -0.689 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 20 11.817 -3.333 -0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.322 -1.924 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.944 -0.602 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 20 9.335 -1.294 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.452 -2.768 -1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.004 -3.633 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.223 -3.043 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.354 -0.323 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.126 -0.597 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.837 0.562 -0.748 1.00 0.00 H new ATOM 322 N LEU A 21 10.581 -2.659 -3.462 1.00 0.00 N ATOM 323 CA LEU A 21 9.933 -3.332 -4.624 1.00 0.00 C ATOM 324 C LEU A 21 10.795 -4.498 -5.115 1.00 0.00 C ATOM 325 O LEU A 21 10.318 -5.601 -5.297 1.00 0.00 O ATOM 326 CB LEU A 21 9.832 -2.253 -5.703 1.00 0.00 C ATOM 327 CG LEU A 21 8.637 -1.344 -5.405 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.101 0.114 -5.369 1.00 0.00 C ATOM 329 CD2 LEU A 21 7.583 -1.516 -6.500 1.00 0.00 C ATOM 0 H LEU A 21 10.774 -1.666 -3.590 1.00 0.00 H new ATOM 0 HA LEU A 21 8.958 -3.746 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.750 -1.666 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.716 -2.714 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 21 8.207 -1.612 -4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.250 0.761 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.854 0.237 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.530 0.383 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.731 -0.869 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.013 -1.247 -7.465 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.253 -2.554 -6.527 1.00 0.00 H new ATOM 341 N GLU A 22 12.060 -4.264 -5.333 1.00 0.00 N ATOM 342 CA GLU A 22 12.949 -5.363 -5.811 1.00 0.00 C ATOM 343 C GLU A 22 12.967 -6.509 -4.797 1.00 0.00 C ATOM 344 O GLU A 22 13.102 -7.663 -5.151 1.00 0.00 O ATOM 345 CB GLU A 22 14.339 -4.737 -5.936 1.00 0.00 C ATOM 346 CG GLU A 22 15.326 -5.799 -6.427 1.00 0.00 C ATOM 347 CD GLU A 22 16.720 -5.180 -6.554 1.00 0.00 C ATOM 348 OE1 GLU A 22 16.828 -3.974 -6.410 1.00 0.00 O ATOM 349 OE2 GLU A 22 17.657 -5.924 -6.796 1.00 0.00 O ATOM 0 H GLU A 22 12.517 -3.361 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 22 12.608 -5.780 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.312 -3.899 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.661 -4.342 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.351 -6.637 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.003 -6.194 -7.390 1.00 0.00 H new ATOM 356 N GLN A 23 12.930 -6.190 -3.532 1.00 0.00 N ATOM 357 CA GLN A 23 13.056 -7.247 -2.489 1.00 0.00 C ATOM 358 C GLN A 23 11.925 -8.271 -2.628 1.00 0.00 C ATOM 359 O GLN A 23 12.124 -9.455 -2.443 1.00 0.00 O ATOM 360 CB GLN A 23 12.940 -6.498 -1.161 1.00 0.00 C ATOM 361 CG GLN A 23 13.285 -7.439 -0.004 1.00 0.00 C ATOM 362 CD GLN A 23 14.782 -7.755 -0.030 1.00 0.00 C ATOM 363 OE1 GLN A 23 15.600 -6.901 0.250 1.00 0.00 O ATOM 364 NE2 GLN A 23 15.178 -8.957 -0.352 1.00 0.00 N ATOM 0 H GLN A 23 12.818 -5.241 -3.175 1.00 0.00 H new ATOM 0 HA GLN A 23 13.992 -7.800 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.612 -5.640 -1.157 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.928 -6.111 -1.038 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.017 -6.977 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.707 -8.360 -0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.492 -9.674 -0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.173 -9.179 -0.368 1.00 0.00 H new ATOM 373 N ILE A 24 10.732 -7.824 -2.914 1.00 0.00 N ATOM 374 CA ILE A 24 9.589 -8.777 -3.016 1.00 0.00 C ATOM 375 C ILE A 24 9.805 -9.760 -4.169 1.00 0.00 C ATOM 376 O ILE A 24 9.605 -10.949 -4.020 1.00 0.00 O ATOM 377 CB ILE A 24 8.361 -7.898 -3.264 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.017 -7.167 -1.970 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.169 -8.762 -3.685 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.802 -5.678 -2.253 1.00 0.00 C ATOM 0 H ILE A 24 10.500 -6.845 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 24 9.478 -9.383 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 24 8.579 -7.185 -4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.117 -7.596 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.821 -7.296 -1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.301 -8.125 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.414 -9.299 -4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.942 -9.478 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.557 -5.163 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.713 -5.253 -2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.983 -5.557 -2.962 1.00 0.00 H new ATOM 392 N LYS A 25 10.278 -9.298 -5.292 1.00 0.00 N ATOM 393 CA LYS A 25 10.576 -10.237 -6.400 1.00 0.00 C ATOM 394 C LYS A 25 11.622 -11.254 -5.942 1.00 0.00 C ATOM 395 O LYS A 25 11.439 -12.449 -6.072 1.00 0.00 O ATOM 396 CB LYS A 25 11.113 -9.355 -7.524 1.00 0.00 C ATOM 397 CG LYS A 25 11.654 -10.241 -8.638 1.00 0.00 C ATOM 398 CD LYS A 25 12.178 -9.369 -9.782 1.00 0.00 C ATOM 399 CE LYS A 25 12.811 -10.260 -10.853 1.00 0.00 C ATOM 400 NZ LYS A 25 13.463 -9.313 -11.802 1.00 0.00 N ATOM 0 H LYS A 25 10.469 -8.315 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 25 9.705 -10.807 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.322 -8.711 -7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.900 -8.703 -7.146 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.454 -10.875 -8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.869 -10.903 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.363 -8.787 -10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.913 -8.658 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.537 -10.946 -10.418 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.059 -10.869 -11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.921 -9.848 -12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.746 -8.677 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.178 -8.752 -11.296 1.00 0.00 H new ATOM 414 N ASN A 26 12.660 -10.796 -5.298 1.00 0.00 N ATOM 415 CA ASN A 26 13.647 -11.744 -4.706 1.00 0.00 C ATOM 416 C ASN A 26 12.964 -12.655 -3.685 1.00 0.00 C ATOM 417 O ASN A 26 12.979 -13.863 -3.805 1.00 0.00 O ATOM 418 CB ASN A 26 14.671 -10.856 -3.998 1.00 0.00 C ATOM 419 CG ASN A 26 15.750 -11.731 -3.352 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.899 -11.735 -2.145 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.512 -12.479 -4.104 1.00 0.00 N ATOM 0 H ASN A 26 12.868 -9.808 -5.156 1.00 0.00 H new ATOM 0 HA ASN A 26 14.100 -12.384 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.125 -10.168 -4.711 1.00 0.00 H new ATOM 0 HB3 ASN A 26 14.178 -10.249 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.230 -13.065 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.389 -12.477 -5.117 1.00 0.00 H new ATOM 428 N GLY A 27 12.528 -12.085 -2.595 1.00 0.00 N ATOM 429 CA GLY A 27 12.036 -12.917 -1.465 1.00 0.00 C ATOM 430 C GLY A 27 10.508 -12.845 -1.367 1.00 0.00 C ATOM 431 O GLY A 27 9.876 -13.780 -0.915 1.00 0.00 O ATOM 0 H GLY A 27 12.492 -11.078 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.348 -13.952 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.482 -12.573 -0.532 1.00 0.00 H new ATOM 435 N ALA A 28 9.936 -11.698 -1.672 1.00 0.00 N ATOM 436 CA ALA A 28 8.457 -11.473 -1.490 1.00 0.00 C ATOM 437 C ALA A 28 8.164 -11.033 -0.062 1.00 0.00 C ATOM 438 O ALA A 28 9.039 -10.555 0.631 1.00 0.00 O ATOM 439 CB ALA A 28 7.749 -12.793 -1.819 1.00 0.00 C ATOM 0 H ALA A 28 10.440 -10.894 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 28 8.098 -10.683 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.673 -12.669 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.968 -13.077 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.102 -13.573 -1.145 1.00 0.00 H new ATOM 445 N ASP A 29 6.948 -11.240 0.396 1.00 0.00 N ATOM 446 CA ASP A 29 6.580 -10.905 1.814 1.00 0.00 C ATOM 447 C ASP A 29 6.338 -9.399 1.966 1.00 0.00 C ATOM 448 O ASP A 29 7.116 -8.688 2.577 1.00 0.00 O ATOM 449 CB ASP A 29 7.765 -11.359 2.664 1.00 0.00 C ATOM 450 CG ASP A 29 7.260 -12.173 3.858 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.302 -11.743 4.478 1.00 0.00 O ATOM 452 OD2 ASP A 29 7.842 -13.209 4.132 1.00 0.00 O ATOM 0 H ASP A 29 6.187 -11.631 -0.159 1.00 0.00 H new ATOM 0 HA ASP A 29 5.658 -11.399 2.122 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.447 -11.961 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.328 -10.493 3.013 1.00 0.00 H new ATOM 457 N PHE A 30 5.255 -8.910 1.429 1.00 0.00 N ATOM 458 CA PHE A 30 4.953 -7.455 1.551 1.00 0.00 C ATOM 459 C PHE A 30 4.767 -7.062 3.023 1.00 0.00 C ATOM 460 O PHE A 30 5.196 -6.009 3.450 1.00 0.00 O ATOM 461 CB PHE A 30 3.651 -7.253 0.770 1.00 0.00 C ATOM 462 CG PHE A 30 3.947 -6.627 -0.575 1.00 0.00 C ATOM 463 CD1 PHE A 30 4.530 -7.388 -1.601 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.632 -5.279 -0.798 1.00 0.00 C ATOM 465 CE1 PHE A 30 4.798 -6.799 -2.846 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.900 -4.691 -2.043 1.00 0.00 C ATOM 467 CZ PHE A 30 4.482 -5.451 -3.066 1.00 0.00 C ATOM 0 H PHE A 30 4.565 -9.454 0.911 1.00 0.00 H new ATOM 0 HA PHE A 30 5.762 -6.836 1.164 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.148 -8.210 0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.973 -6.615 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.772 -8.427 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.182 -4.693 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.248 -7.384 -3.635 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.658 -3.652 -2.213 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.687 -4.998 -4.025 1.00 0.00 H new ATOM 477 N GLY A 31 4.081 -7.869 3.784 1.00 0.00 N ATOM 478 CA GLY A 31 3.808 -7.502 5.206 1.00 0.00 C ATOM 479 C GLY A 31 5.127 -7.331 5.967 1.00 0.00 C ATOM 480 O GLY A 31 5.292 -6.412 6.747 1.00 0.00 O ATOM 0 H GLY A 31 3.697 -8.766 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.233 -6.577 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.203 -8.275 5.680 1.00 0.00 H new ATOM 484 N LYS A 32 6.054 -8.232 5.778 1.00 0.00 N ATOM 485 CA LYS A 32 7.339 -8.143 6.531 1.00 0.00 C ATOM 486 C LYS A 32 8.090 -6.868 6.140 1.00 0.00 C ATOM 487 O LYS A 32 8.630 -6.171 6.979 1.00 0.00 O ATOM 488 CB LYS A 32 8.125 -9.387 6.114 1.00 0.00 C ATOM 489 CG LYS A 32 7.461 -10.633 6.708 1.00 0.00 C ATOM 490 CD LYS A 32 7.797 -10.734 8.197 1.00 0.00 C ATOM 491 CE LYS A 32 7.015 -11.894 8.818 1.00 0.00 C ATOM 492 NZ LYS A 32 8.045 -12.730 9.499 1.00 0.00 N ATOM 0 H LYS A 32 5.978 -9.022 5.138 1.00 0.00 H new ATOM 0 HA LYS A 32 7.189 -8.101 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.158 -9.462 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.156 -9.312 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.381 -10.582 6.571 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.806 -11.525 6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.868 -10.891 8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.546 -9.801 8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.268 -11.533 9.525 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.483 -12.465 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.586 -13.547 9.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.738 -13.065 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.530 -12.162 10.223 1.00 0.00 H new ATOM 506 N LEU A 33 8.077 -6.521 4.882 1.00 0.00 N ATOM 507 CA LEU A 33 8.736 -5.253 4.461 1.00 0.00 C ATOM 508 C LEU A 33 8.054 -4.054 5.122 1.00 0.00 C ATOM 509 O LEU A 33 8.698 -3.105 5.510 1.00 0.00 O ATOM 510 CB LEU A 33 8.560 -5.189 2.948 1.00 0.00 C ATOM 511 CG LEU A 33 9.427 -6.257 2.288 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.070 -6.337 0.809 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.904 -5.885 2.437 1.00 0.00 C ATOM 0 H LEU A 33 7.641 -7.057 4.132 1.00 0.00 H new ATOM 0 HA LEU A 33 9.786 -5.227 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.513 -5.343 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.839 -4.201 2.580 1.00 0.00 H new ATOM 0 HG LEU A 33 9.251 -7.221 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.684 -7.098 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.017 -6.599 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.253 -5.371 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.521 -6.649 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.087 -4.923 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.157 -5.817 3.495 1.00 0.00 H new ATOM 525 N ALA A 34 6.756 -4.071 5.220 1.00 0.00 N ATOM 526 CA ALA A 34 6.044 -2.905 5.819 1.00 0.00 C ATOM 527 C ALA A 34 6.545 -2.655 7.242 1.00 0.00 C ATOM 528 O ALA A 34 6.868 -1.544 7.605 1.00 0.00 O ATOM 529 CB ALA A 34 4.572 -3.307 5.835 1.00 0.00 C ATOM 0 H ALA A 34 6.157 -4.837 4.913 1.00 0.00 H new ATOM 0 HA ALA A 34 6.210 -1.986 5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.979 -2.499 6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.237 -3.503 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.447 -4.207 6.437 1.00 0.00 H new ATOM 535 N LYS A 35 6.612 -3.676 8.048 1.00 0.00 N ATOM 536 CA LYS A 35 7.090 -3.478 9.446 1.00 0.00 C ATOM 537 C LYS A 35 8.511 -2.903 9.442 1.00 0.00 C ATOM 538 O LYS A 35 8.820 -1.981 10.171 1.00 0.00 O ATOM 539 CB LYS A 35 7.078 -4.877 10.065 1.00 0.00 C ATOM 540 CG LYS A 35 7.544 -4.800 11.520 1.00 0.00 C ATOM 541 CD LYS A 35 7.531 -6.201 12.134 1.00 0.00 C ATOM 542 CE LYS A 35 7.979 -6.123 13.596 1.00 0.00 C ATOM 543 NZ LYS A 35 9.454 -5.909 13.543 1.00 0.00 N ATOM 0 H LYS A 35 6.359 -4.633 7.803 1.00 0.00 H new ATOM 0 HA LYS A 35 6.467 -2.779 10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.074 -5.298 10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.730 -5.542 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.548 -4.379 11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.891 -4.136 12.087 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.530 -6.627 12.072 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.194 -6.861 11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.481 -5.305 14.117 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.733 -7.039 14.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.924 -6.571 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.794 -6.074 12.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.673 -4.932 13.825 1.00 0.00 H new ATOM 557 N LYS A 36 9.394 -3.493 8.684 1.00 0.00 N ATOM 558 CA LYS A 36 10.818 -3.042 8.699 1.00 0.00 C ATOM 559 C LYS A 36 10.977 -1.658 8.048 1.00 0.00 C ATOM 560 O LYS A 36 11.777 -0.851 8.478 1.00 0.00 O ATOM 561 CB LYS A 36 11.553 -4.105 7.884 1.00 0.00 C ATOM 562 CG LYS A 36 13.063 -3.891 7.989 1.00 0.00 C ATOM 563 CD LYS A 36 13.781 -4.986 7.199 1.00 0.00 C ATOM 564 CE LYS A 36 15.292 -4.843 7.383 1.00 0.00 C ATOM 565 NZ LYS A 36 15.887 -5.546 6.211 1.00 0.00 N ATOM 0 H LYS A 36 9.192 -4.269 8.054 1.00 0.00 H new ATOM 0 HA LYS A 36 11.205 -2.940 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.292 -5.099 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.242 -4.055 6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.331 -2.909 7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.374 -3.915 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.454 -5.968 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.525 -4.914 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.590 -3.795 7.408 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.620 -5.291 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.924 -5.493 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.591 -6.543 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.562 -5.094 5.333 1.00 0.00 H new ATOM 579 N HIS A 37 10.323 -1.433 6.940 1.00 0.00 N ATOM 580 CA HIS A 37 10.549 -0.167 6.177 1.00 0.00 C ATOM 581 C HIS A 37 9.770 1.001 6.796 1.00 0.00 C ATOM 582 O HIS A 37 10.278 2.097 6.925 1.00 0.00 O ATOM 583 CB HIS A 37 10.028 -0.464 4.769 1.00 0.00 C ATOM 584 CG HIS A 37 11.008 -1.343 4.039 1.00 0.00 C ATOM 585 ND1 HIS A 37 11.639 -0.940 2.873 1.00 0.00 N ATOM 586 CD2 HIS A 37 11.471 -2.610 4.296 1.00 0.00 C ATOM 587 CE1 HIS A 37 12.438 -1.946 2.475 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.374 -2.989 3.307 1.00 0.00 N ATOM 0 H HIS A 37 9.641 -2.070 6.529 1.00 0.00 H new ATOM 0 HA HIS A 37 11.599 0.127 6.184 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.057 -0.956 4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 37 9.882 0.467 4.221 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.179 -3.220 5.138 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.056 -1.914 1.590 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.878 -3.873 3.233 1.00 0.00 H new ATOM 596 N SER A 38 8.502 0.813 7.044 1.00 0.00 N ATOM 597 CA SER A 38 7.651 1.951 7.495 1.00 0.00 C ATOM 598 C SER A 38 8.171 2.540 8.811 1.00 0.00 C ATOM 599 O SER A 38 8.149 3.739 9.007 1.00 0.00 O ATOM 600 CB SER A 38 6.259 1.343 7.681 1.00 0.00 C ATOM 601 OG SER A 38 5.716 1.014 6.411 1.00 0.00 O ATOM 0 H SER A 38 8.018 -0.080 6.954 1.00 0.00 H new ATOM 0 HA SER A 38 7.650 2.772 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.320 0.451 8.305 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.607 2.049 8.196 1.00 0.00 H new ATOM 0 HG SER A 38 5.847 0.059 6.237 1.00 0.00 H new ATOM 607 N ILE A 39 8.608 1.705 9.721 1.00 0.00 N ATOM 608 CA ILE A 39 9.094 2.212 11.043 1.00 0.00 C ATOM 609 C ILE A 39 8.211 3.367 11.529 1.00 0.00 C ATOM 610 O ILE A 39 8.660 4.260 12.219 1.00 0.00 O ATOM 611 CB ILE A 39 10.533 2.679 10.794 1.00 0.00 C ATOM 612 CG1 ILE A 39 11.213 2.970 12.135 1.00 0.00 C ATOM 613 CG2 ILE A 39 10.533 3.948 9.937 1.00 0.00 C ATOM 614 CD1 ILE A 39 11.373 1.666 12.920 1.00 0.00 C ATOM 0 H ILE A 39 8.649 0.692 9.606 1.00 0.00 H new ATOM 0 HA ILE A 39 9.054 1.447 11.818 1.00 0.00 H new ATOM 0 HB ILE A 39 11.077 1.894 10.268 1.00 0.00 H new ATOM 0 HG12 ILE A 39 12.188 3.429 11.969 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.620 3.682 12.709 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.560 4.272 9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.054 3.741 8.980 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.986 4.736 10.454 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.857 1.873 13.874 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.392 1.226 13.099 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.984 0.969 12.347 1.00 0.00 H new ATOM 626 N CYS A 40 6.964 3.368 11.145 1.00 0.00 N ATOM 627 CA CYS A 40 6.056 4.477 11.550 1.00 0.00 C ATOM 628 C CYS A 40 4.845 3.910 12.299 1.00 0.00 C ATOM 629 O CYS A 40 4.551 2.736 12.199 1.00 0.00 O ATOM 630 CB CYS A 40 5.626 5.133 10.235 1.00 0.00 C ATOM 631 SG CYS A 40 4.482 4.042 9.351 1.00 0.00 S ATOM 0 H CYS A 40 6.534 2.646 10.567 1.00 0.00 H new ATOM 0 HA CYS A 40 6.536 5.191 12.219 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.147 6.091 10.436 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.500 5.337 9.617 1.00 0.00 H new ATOM 0 HG CYS A 40 4.119 4.605 8.237 1.00 0.00 H new ATOM 637 N PRO A 41 4.195 4.761 13.045 1.00 0.00 N ATOM 638 CA PRO A 41 3.023 4.330 13.841 1.00 0.00 C ATOM 639 C PRO A 41 2.007 3.608 12.949 1.00 0.00 C ATOM 640 O PRO A 41 1.210 2.818 13.417 1.00 0.00 O ATOM 641 CB PRO A 41 2.436 5.630 14.397 1.00 0.00 C ATOM 642 CG PRO A 41 3.201 6.750 13.752 1.00 0.00 C ATOM 643 CD PRO A 41 4.487 6.182 13.215 1.00 0.00 C ATOM 0 HA PRO A 41 3.290 3.630 14.633 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.373 5.705 14.170 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.533 5.667 15.482 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.617 7.198 12.948 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.405 7.539 14.476 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.767 6.649 12.271 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.314 6.341 13.907 1.00 0.00 H new ATOM 651 N SER A 42 2.068 3.825 11.663 1.00 0.00 N ATOM 652 CA SER A 42 1.148 3.094 10.744 1.00 0.00 C ATOM 653 C SER A 42 1.916 2.020 9.972 1.00 0.00 C ATOM 654 O SER A 42 1.403 1.423 9.050 1.00 0.00 O ATOM 655 CB SER A 42 0.598 4.155 9.789 1.00 0.00 C ATOM 656 OG SER A 42 1.446 5.292 9.803 1.00 0.00 O ATOM 0 H SER A 42 2.712 4.474 11.210 1.00 0.00 H new ATOM 0 HA SER A 42 0.348 2.587 11.284 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.532 3.751 8.779 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.412 4.438 10.086 1.00 0.00 H new ATOM 0 HG SER A 42 2.351 5.029 9.534 1.00 0.00 H new ATOM 662 N GLY A 43 3.087 1.673 10.425 1.00 0.00 N ATOM 663 CA GLY A 43 3.804 0.525 9.808 1.00 0.00 C ATOM 664 C GLY A 43 3.201 -0.772 10.345 1.00 0.00 C ATOM 665 O GLY A 43 2.791 -1.638 9.597 1.00 0.00 O ATOM 0 H GLY A 43 3.577 2.133 11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.715 0.563 8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.867 0.573 10.042 1.00 0.00 H new ATOM 669 N LYS A 44 3.099 -0.888 11.641 1.00 0.00 N ATOM 670 CA LYS A 44 2.470 -2.098 12.238 1.00 0.00 C ATOM 671 C LYS A 44 1.023 -2.236 11.756 1.00 0.00 C ATOM 672 O LYS A 44 0.539 -3.324 11.522 1.00 0.00 O ATOM 673 CB LYS A 44 2.501 -1.857 13.746 1.00 0.00 C ATOM 674 CG LYS A 44 1.910 -3.072 14.463 1.00 0.00 C ATOM 675 CD LYS A 44 1.938 -2.838 15.974 1.00 0.00 C ATOM 676 CE LYS A 44 1.366 -4.066 16.690 1.00 0.00 C ATOM 677 NZ LYS A 44 2.475 -5.069 16.708 1.00 0.00 N ATOM 0 H LYS A 44 3.426 -0.194 12.313 1.00 0.00 H new ATOM 0 HA LYS A 44 2.992 -3.013 11.956 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.525 -1.687 14.078 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.932 -0.961 13.995 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.886 -3.241 14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.479 -3.967 14.213 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.960 -2.653 16.306 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.356 -1.952 16.227 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.045 -3.817 17.702 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.493 -4.455 16.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.114 -5.991 16.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.236 -4.756 16.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.847 -5.158 17.675 1.00 0.00 H new ATOM 691 N ARG A 45 0.314 -1.142 11.664 1.00 0.00 N ATOM 692 CA ARG A 45 -1.117 -1.212 11.266 1.00 0.00 C ATOM 693 C ARG A 45 -1.270 -0.943 9.763 1.00 0.00 C ATOM 694 O ARG A 45 -2.016 -1.613 9.076 1.00 0.00 O ATOM 695 CB ARG A 45 -1.804 -0.123 12.095 1.00 0.00 C ATOM 696 CG ARG A 45 -3.155 0.216 11.469 1.00 0.00 C ATOM 697 CD ARG A 45 -4.072 -1.006 11.553 1.00 0.00 C ATOM 698 NE ARG A 45 -5.388 -0.540 11.035 1.00 0.00 N ATOM 699 CZ ARG A 45 -6.419 -1.345 11.041 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.299 -2.564 11.494 1.00 0.00 N ATOM 701 NH2 ARG A 45 -7.572 -0.929 10.592 1.00 0.00 N ATOM 0 H ARG A 45 0.667 -0.203 11.848 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.553 -2.195 11.445 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.942 -0.464 13.121 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.177 0.767 12.137 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.608 1.061 11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.022 0.515 10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.684 -1.832 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.157 -1.365 12.579 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.486 0.409 10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.399 -2.891 11.845 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.105 -3.189 11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -7.668 0.022 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.377 -1.555 10.596 1.00 0.00 H new ATOM 715 N GLY A 46 -0.558 0.019 9.244 1.00 0.00 N ATOM 716 CA GLY A 46 -0.650 0.313 7.787 1.00 0.00 C ATOM 717 C GLY A 46 -0.156 -0.900 6.999 1.00 0.00 C ATOM 718 O GLY A 46 -0.630 -1.186 5.917 1.00 0.00 O ATOM 0 H GLY A 46 0.084 0.615 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.680 0.544 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.051 1.190 7.542 1.00 0.00 H new ATOM 722 N GLY A 47 0.740 -1.659 7.569 1.00 0.00 N ATOM 723 CA GLY A 47 1.204 -2.906 6.895 1.00 0.00 C ATOM 724 C GLY A 47 0.114 -3.981 6.984 1.00 0.00 C ATOM 725 O GLY A 47 0.297 -5.099 6.549 1.00 0.00 O ATOM 0 H GLY A 47 1.172 -1.469 8.474 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.440 -2.700 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.120 -3.264 7.364 1.00 0.00 H new ATOM 729 N ASP A 48 -0.994 -3.666 7.596 1.00 0.00 N ATOM 730 CA ASP A 48 -2.070 -4.678 7.778 1.00 0.00 C ATOM 731 C ASP A 48 -3.330 -3.984 8.296 1.00 0.00 C ATOM 732 O ASP A 48 -3.752 -4.186 9.416 1.00 0.00 O ATOM 733 CB ASP A 48 -1.519 -5.639 8.827 1.00 0.00 C ATOM 734 CG ASP A 48 -1.234 -4.866 10.114 1.00 0.00 C ATOM 735 OD1 ASP A 48 -1.247 -3.649 10.060 1.00 0.00 O ATOM 736 OD2 ASP A 48 -1.004 -5.503 11.129 1.00 0.00 O ATOM 0 H ASP A 48 -1.201 -2.744 7.980 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.336 -5.193 6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.236 -6.437 9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.607 -6.111 8.462 1.00 0.00 H new ATOM 741 N LEU A 49 -3.874 -3.090 7.515 1.00 0.00 N ATOM 742 CA LEU A 49 -5.039 -2.288 7.984 1.00 0.00 C ATOM 743 C LEU A 49 -6.289 -3.164 8.100 1.00 0.00 C ATOM 744 O LEU A 49 -7.174 -2.893 8.886 1.00 0.00 O ATOM 745 CB LEU A 49 -5.219 -1.189 6.931 1.00 0.00 C ATOM 746 CG LEU A 49 -4.056 -0.192 7.032 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.783 0.408 5.652 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.421 0.928 8.010 1.00 0.00 C ATOM 0 H LEU A 49 -3.559 -2.880 6.568 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.876 -1.867 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.251 -1.627 5.934 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.168 -0.675 7.084 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.166 -0.709 7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.958 1.117 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.521 -0.388 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.675 0.923 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.594 1.634 8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.311 1.446 7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.618 0.502 8.994 1.00 0.00 H new ATOM 760 N GLY A 50 -6.390 -4.193 7.301 1.00 0.00 N ATOM 761 CA GLY A 50 -7.606 -5.050 7.348 1.00 0.00 C ATOM 762 C GLY A 50 -8.602 -4.568 6.294 1.00 0.00 C ATOM 763 O GLY A 50 -8.226 -4.145 5.220 1.00 0.00 O ATOM 0 H GLY A 50 -5.684 -4.475 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.339 -6.091 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.058 -5.007 8.339 1.00 0.00 H new ATOM 767 N GLU A 51 -9.873 -4.650 6.581 1.00 0.00 N ATOM 768 CA GLU A 51 -10.885 -4.220 5.577 1.00 0.00 C ATOM 769 C GLU A 51 -11.613 -2.960 6.064 1.00 0.00 C ATOM 770 O GLU A 51 -12.079 -2.894 7.184 1.00 0.00 O ATOM 771 CB GLU A 51 -11.853 -5.399 5.462 1.00 0.00 C ATOM 772 CG GLU A 51 -12.500 -5.390 4.076 1.00 0.00 C ATOM 773 CD GLU A 51 -13.471 -6.567 3.955 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.463 -7.410 4.837 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.208 -6.603 2.983 1.00 0.00 O ATOM 0 H GLU A 51 -10.252 -4.995 7.463 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.436 -3.970 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.322 -6.337 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.620 -5.331 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.030 -4.451 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.733 -5.458 3.305 1.00 0.00 H new ATOM 782 N PHE A 52 -11.807 -2.009 5.192 1.00 0.00 N ATOM 783 CA PHE A 52 -12.617 -0.803 5.553 1.00 0.00 C ATOM 784 C PHE A 52 -13.612 -0.496 4.433 1.00 0.00 C ATOM 785 O PHE A 52 -13.862 -1.319 3.579 1.00 0.00 O ATOM 786 CB PHE A 52 -11.638 0.378 5.741 1.00 0.00 C ATOM 787 CG PHE A 52 -10.305 0.141 5.054 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.256 -0.268 3.712 1.00 0.00 C ATOM 789 CD2 PHE A 52 -9.115 0.345 5.766 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.021 -0.474 3.088 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.879 0.142 5.139 1.00 0.00 C ATOM 792 CZ PHE A 52 -7.831 -0.269 3.801 1.00 0.00 C ATOM 0 H PHE A 52 -11.439 -2.012 4.241 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.181 -0.974 6.470 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.090 1.288 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.471 0.542 6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.172 -0.424 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.151 0.659 6.799 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.984 -0.791 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.963 0.302 5.688 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.878 -0.428 3.319 1.00 0.00 H new ATOM 802 N ARG A 53 -14.208 0.666 4.438 1.00 0.00 N ATOM 803 CA ARG A 53 -15.209 0.981 3.374 1.00 0.00 C ATOM 804 C ARG A 53 -14.519 1.032 2.010 1.00 0.00 C ATOM 805 O ARG A 53 -15.022 0.523 1.028 1.00 0.00 O ATOM 806 CB ARG A 53 -15.776 2.356 3.735 1.00 0.00 C ATOM 807 CG ARG A 53 -16.540 2.264 5.057 1.00 0.00 C ATOM 808 CD ARG A 53 -17.106 3.641 5.412 1.00 0.00 C ATOM 809 NE ARG A 53 -17.736 3.463 6.753 1.00 0.00 N ATOM 810 CZ ARG A 53 -18.920 2.922 6.858 1.00 0.00 C ATOM 811 NH1 ARG A 53 -19.547 2.498 5.792 1.00 0.00 N ATOM 812 NH2 ARG A 53 -19.475 2.795 8.032 1.00 0.00 N ATOM 0 H ARG A 53 -14.049 1.404 5.124 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.994 0.227 3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.968 3.083 3.820 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.439 2.707 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.348 1.537 4.973 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.878 1.915 5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.320 4.396 5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.836 3.971 4.673 1.00 0.00 H new ATOM 0 HE ARG A 53 -17.240 3.765 7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.112 2.589 4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.472 2.076 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.984 3.118 8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.400 2.373 8.116 1.00 0.00 H new ATOM 826 N GLN A 54 -13.344 1.598 1.958 1.00 0.00 N ATOM 827 CA GLN A 54 -12.588 1.632 0.672 1.00 0.00 C ATOM 828 C GLN A 54 -11.225 2.303 0.874 1.00 0.00 C ATOM 829 O GLN A 54 -10.698 2.936 -0.017 1.00 0.00 O ATOM 830 CB GLN A 54 -13.457 2.454 -0.280 1.00 0.00 C ATOM 831 CG GLN A 54 -13.529 3.902 0.209 1.00 0.00 C ATOM 832 CD GLN A 54 -14.420 4.712 -0.735 1.00 0.00 C ATOM 833 OE1 GLN A 54 -15.257 4.160 -1.421 1.00 0.00 O ATOM 834 NE2 GLN A 54 -14.279 6.008 -0.796 1.00 0.00 N ATOM 0 H GLN A 54 -12.875 2.038 2.749 1.00 0.00 H new ATOM 0 HA GLN A 54 -12.393 0.633 0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.042 2.420 -1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -14.459 2.028 -0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.928 3.936 1.223 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.530 4.336 0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.576 6.472 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.871 6.557 -1.419 1.00 0.00 H new ATOM 843 N GLY A 55 -10.661 2.190 2.048 1.00 0.00 N ATOM 844 CA GLY A 55 -9.347 2.844 2.308 1.00 0.00 C ATOM 845 C GLY A 55 -9.522 3.879 3.416 1.00 0.00 C ATOM 846 O GLY A 55 -9.105 3.677 4.538 1.00 0.00 O ATOM 0 H GLY A 55 -11.053 1.674 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.607 2.100 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.977 3.322 1.401 1.00 0.00 H new ATOM 850 N GLN A 56 -10.213 4.947 3.130 1.00 0.00 N ATOM 851 CA GLN A 56 -10.523 5.965 4.182 1.00 0.00 C ATOM 852 C GLN A 56 -9.245 6.689 4.599 1.00 0.00 C ATOM 853 O GLN A 56 -9.171 7.901 4.597 1.00 0.00 O ATOM 854 CB GLN A 56 -11.086 5.177 5.367 1.00 0.00 C ATOM 855 CG GLN A 56 -12.036 4.079 4.869 1.00 0.00 C ATOM 856 CD GLN A 56 -12.909 3.602 6.027 1.00 0.00 C ATOM 857 OE1 GLN A 56 -14.052 3.995 6.148 1.00 0.00 O ATOM 858 NE2 GLN A 56 -12.410 2.767 6.894 1.00 0.00 N ATOM 0 H GLN A 56 -10.581 5.163 2.204 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.227 6.716 3.823 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.271 4.732 5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.617 5.849 6.041 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.660 4.461 4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.464 3.245 4.462 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.450 2.438 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.979 2.442 7.676 1.00 0.00 H new ATOM 867 N MET A 57 -8.270 5.946 5.025 1.00 0.00 N ATOM 868 CA MET A 57 -7.020 6.559 5.529 1.00 0.00 C ATOM 869 C MET A 57 -6.412 7.502 4.484 1.00 0.00 C ATOM 870 O MET A 57 -5.891 8.549 4.811 1.00 0.00 O ATOM 871 CB MET A 57 -6.103 5.361 5.757 1.00 0.00 C ATOM 872 CG MET A 57 -4.679 5.843 6.045 1.00 0.00 C ATOM 873 SD MET A 57 -3.602 4.414 6.316 1.00 0.00 S ATOM 874 CE MET A 57 -3.620 3.784 4.619 1.00 0.00 C ATOM 0 H MET A 57 -8.287 4.926 5.045 1.00 0.00 H new ATOM 0 HA MET A 57 -7.177 7.159 6.425 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.470 4.764 6.592 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.107 4.716 4.878 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.309 6.438 5.210 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.673 6.488 6.923 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.685 3.262 4.415 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.455 3.095 4.496 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.730 4.616 3.923 1.00 0.00 H new ATOM 884 N VAL A 58 -6.386 7.093 3.244 1.00 0.00 N ATOM 885 CA VAL A 58 -5.706 7.920 2.203 1.00 0.00 C ATOM 886 C VAL A 58 -6.495 7.874 0.888 1.00 0.00 C ATOM 887 O VAL A 58 -6.874 6.814 0.430 1.00 0.00 O ATOM 888 CB VAL A 58 -4.334 7.265 2.035 1.00 0.00 C ATOM 889 CG1 VAL A 58 -4.519 5.845 1.503 1.00 0.00 C ATOM 890 CG2 VAL A 58 -3.484 8.070 1.050 1.00 0.00 C ATOM 0 H VAL A 58 -6.804 6.226 2.907 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.631 8.971 2.483 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.828 7.238 3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.544 5.372 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.117 5.267 2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.028 5.881 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.509 7.595 0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.984 8.105 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.352 9.084 1.427 1.00 0.00 H new ATOM 900 N PRO A 59 -6.710 9.032 0.320 1.00 0.00 N ATOM 901 CA PRO A 59 -7.457 9.127 -0.960 1.00 0.00 C ATOM 902 C PRO A 59 -6.726 8.355 -2.064 1.00 0.00 C ATOM 903 O PRO A 59 -7.314 7.569 -2.780 1.00 0.00 O ATOM 904 CB PRO A 59 -7.481 10.626 -1.270 1.00 0.00 C ATOM 905 CG PRO A 59 -6.443 11.243 -0.383 1.00 0.00 C ATOM 906 CD PRO A 59 -6.284 10.343 0.812 1.00 0.00 C ATOM 0 HA PRO A 59 -8.458 8.700 -0.897 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.258 10.812 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.466 11.050 -1.073 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.497 11.348 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.747 12.243 -0.073 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.252 10.323 1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.899 10.676 1.648 1.00 0.00 H new ATOM 914 N ALA A 60 -5.451 8.589 -2.219 1.00 0.00 N ATOM 915 CA ALA A 60 -4.683 7.889 -3.289 1.00 0.00 C ATOM 916 C ALA A 60 -5.035 6.399 -3.317 1.00 0.00 C ATOM 917 O ALA A 60 -5.001 5.765 -4.353 1.00 0.00 O ATOM 918 CB ALA A 60 -3.214 8.087 -2.914 1.00 0.00 C ATOM 0 H ALA A 60 -4.906 9.237 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.910 8.282 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.580 7.599 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.986 9.153 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.027 7.650 -1.933 1.00 0.00 H new ATOM 924 N PHE A 61 -5.397 5.838 -2.195 1.00 0.00 N ATOM 925 CA PHE A 61 -5.777 4.396 -2.180 1.00 0.00 C ATOM 926 C PHE A 61 -6.969 4.155 -3.107 1.00 0.00 C ATOM 927 O PHE A 61 -6.984 3.225 -3.887 1.00 0.00 O ATOM 928 CB PHE A 61 -6.158 4.091 -0.733 1.00 0.00 C ATOM 929 CG PHE A 61 -6.776 2.715 -0.667 1.00 0.00 C ATOM 930 CD1 PHE A 61 -5.959 1.585 -0.533 1.00 0.00 C ATOM 931 CD2 PHE A 61 -8.169 2.567 -0.744 1.00 0.00 C ATOM 932 CE1 PHE A 61 -6.531 0.308 -0.476 1.00 0.00 C ATOM 933 CE2 PHE A 61 -8.743 1.289 -0.686 1.00 0.00 C ATOM 934 CZ PHE A 61 -7.924 0.159 -0.552 1.00 0.00 C ATOM 0 H PHE A 61 -5.446 6.312 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.965 3.757 -2.527 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.277 4.139 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.861 4.838 -0.363 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.887 1.699 -0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.799 3.438 -0.848 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.900 -0.562 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.815 1.175 -0.745 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.365 -0.826 -0.507 1.00 0.00 H new ATOM 944 N ASP A 62 -7.956 5.002 -3.053 1.00 0.00 N ATOM 945 CA ASP A 62 -9.120 4.830 -3.965 1.00 0.00 C ATOM 946 C ASP A 62 -8.646 4.896 -5.418 1.00 0.00 C ATOM 947 O ASP A 62 -9.087 4.146 -6.265 1.00 0.00 O ATOM 948 CB ASP A 62 -10.047 6.002 -3.645 1.00 0.00 C ATOM 949 CG ASP A 62 -11.292 5.928 -4.531 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.238 5.242 -5.539 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.280 6.555 -4.184 1.00 0.00 O ATOM 0 H ASP A 62 -8.008 5.801 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.622 3.872 -3.833 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.334 5.975 -2.594 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.527 6.946 -3.809 1.00 0.00 H new ATOM 956 N LYS A 63 -7.764 5.810 -5.710 1.00 0.00 N ATOM 957 CA LYS A 63 -7.269 5.963 -7.108 1.00 0.00 C ATOM 958 C LYS A 63 -6.594 4.672 -7.598 1.00 0.00 C ATOM 959 O LYS A 63 -6.798 4.250 -8.719 1.00 0.00 O ATOM 960 CB LYS A 63 -6.261 7.111 -7.029 1.00 0.00 C ATOM 961 CG LYS A 63 -7.014 8.418 -6.764 1.00 0.00 C ATOM 962 CD LYS A 63 -6.026 9.584 -6.681 1.00 0.00 C ATOM 963 CE LYS A 63 -6.800 10.876 -6.404 1.00 0.00 C ATOM 964 NZ LYS A 63 -5.759 11.881 -6.045 1.00 0.00 N ATOM 0 H LYS A 63 -7.362 6.462 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.075 6.165 -7.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.539 6.924 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.698 7.183 -7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.737 8.599 -7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.577 8.341 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.298 9.405 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.468 9.672 -7.613 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.367 11.191 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.515 10.741 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.214 12.794 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.240 11.557 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.097 11.994 -6.839 1.00 0.00 H new ATOM 978 N VAL A 64 -5.722 4.094 -6.811 1.00 0.00 N ATOM 979 CA VAL A 64 -4.967 2.899 -7.302 1.00 0.00 C ATOM 980 C VAL A 64 -5.873 1.664 -7.362 1.00 0.00 C ATOM 981 O VAL A 64 -5.994 1.046 -8.400 1.00 0.00 O ATOM 982 CB VAL A 64 -3.819 2.688 -6.309 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.385 2.418 -4.914 1.00 0.00 C ATOM 984 CG2 VAL A 64 -2.979 1.487 -6.749 1.00 0.00 C ATOM 0 H VAL A 64 -5.501 4.392 -5.861 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.593 3.055 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.199 3.584 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.565 2.269 -4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.986 3.269 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.007 1.524 -4.941 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.162 1.336 -6.043 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.605 0.595 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.571 1.673 -7.742 1.00 0.00 H new ATOM 994 N VAL A 65 -6.642 1.393 -6.343 1.00 0.00 N ATOM 995 CA VAL A 65 -7.665 0.314 -6.492 1.00 0.00 C ATOM 996 C VAL A 65 -8.636 0.676 -7.623 1.00 0.00 C ATOM 997 O VAL A 65 -9.175 -0.186 -8.286 1.00 0.00 O ATOM 998 CB VAL A 65 -8.391 0.209 -5.155 1.00 0.00 C ATOM 999 CG1 VAL A 65 -9.304 1.419 -4.964 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -9.231 -1.074 -5.152 1.00 0.00 C ATOM 0 H VAL A 65 -6.611 1.857 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.209 -0.642 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.665 0.183 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.820 1.338 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.707 2.331 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.037 1.452 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.756 -1.163 -4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.956 -1.036 -5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.578 -1.936 -5.288 1.00 0.00 H new ATOM 1010 N PHE A 66 -8.738 1.939 -7.953 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.521 2.326 -9.167 1.00 0.00 C ATOM 1012 C PHE A 66 -8.591 2.353 -10.384 1.00 0.00 C ATOM 1013 O PHE A 66 -9.024 2.265 -11.516 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.064 3.725 -8.879 1.00 0.00 C ATOM 1015 CG PHE A 66 -10.858 4.200 -10.074 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -10.207 4.860 -11.126 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -12.239 3.971 -10.138 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -10.939 5.295 -12.239 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -12.971 4.404 -11.253 1.00 0.00 C ATOM 1020 CZ PHE A 66 -12.320 5.067 -12.304 1.00 0.00 C ATOM 0 H PHE A 66 -8.317 2.713 -7.440 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.327 1.625 -9.381 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.695 3.708 -7.990 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.243 4.413 -8.675 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.142 5.033 -11.079 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -12.740 3.461 -9.328 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.438 5.807 -13.048 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -14.035 4.227 -11.303 1.00 0.00 H new ATOM 0 HZ PHE A 66 -12.883 5.402 -13.163 1.00 0.00 H new ATOM 1030 N SER A 67 -7.310 2.324 -10.141 1.00 0.00 N ATOM 1031 CA SER A 67 -6.326 2.181 -11.246 1.00 0.00 C ATOM 1032 C SER A 67 -6.103 0.693 -11.522 1.00 0.00 C ATOM 1033 O SER A 67 -6.575 0.162 -12.508 1.00 0.00 O ATOM 1034 CB SER A 67 -5.045 2.825 -10.714 1.00 0.00 C ATOM 1035 OG SER A 67 -4.113 2.973 -11.774 1.00 0.00 O ATOM 0 H SER A 67 -6.899 2.394 -9.210 1.00 0.00 H new ATOM 0 HA SER A 67 -6.654 2.646 -12.176 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.269 3.797 -10.275 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.617 2.209 -9.923 1.00 0.00 H new ATOM 0 HG SER A 67 -3.293 3.387 -11.433 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.608 -0.022 -10.548 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.622 -1.509 -10.643 1.00 0.00 C ATOM 1043 C CYS A 68 -6.996 -2.025 -10.211 1.00 0.00 C ATOM 1044 O CYS A 68 -7.561 -1.540 -9.256 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.538 -1.982 -9.673 1.00 0.00 C ATOM 1046 SG CYS A 68 -5.015 -1.553 -7.981 1.00 0.00 S ATOM 0 H CYS A 68 -5.197 0.357 -9.695 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.436 -1.871 -11.654 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.401 -3.060 -9.761 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.584 -1.518 -9.922 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.833 -0.543 -8.004 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.534 -2.918 -10.993 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.917 -3.399 -10.753 1.00 0.00 C ATOM 1054 C PRO A 69 -9.082 -3.869 -9.306 1.00 0.00 C ATOM 1055 O PRO A 69 -9.806 -3.284 -8.526 1.00 0.00 O ATOM 1056 CB PRO A 69 -9.067 -4.568 -11.726 1.00 0.00 C ATOM 1057 CG PRO A 69 -8.040 -4.329 -12.790 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.912 -3.558 -12.156 1.00 0.00 C ATOM 0 HA PRO A 69 -9.669 -2.625 -10.905 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.900 -5.521 -11.225 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -10.071 -4.602 -12.149 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.679 -5.274 -13.196 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -8.470 -3.769 -13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.095 -4.216 -11.861 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.496 -2.821 -12.843 1.00 0.00 H new ATOM 1066 N VAL A 70 -8.446 -4.949 -8.963 1.00 0.00 N ATOM 1067 CA VAL A 70 -8.582 -5.515 -7.593 1.00 0.00 C ATOM 1068 C VAL A 70 -7.699 -6.765 -7.486 1.00 0.00 C ATOM 1069 O VAL A 70 -7.165 -7.226 -8.474 1.00 0.00 O ATOM 1070 CB VAL A 70 -10.069 -5.858 -7.458 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -10.466 -6.857 -8.545 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -10.345 -6.464 -6.079 1.00 0.00 C ATOM 0 H VAL A 70 -7.828 -5.473 -9.582 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.267 -4.833 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.655 -4.946 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.524 -7.100 -8.447 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.283 -6.419 -9.526 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.874 -7.766 -8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.405 -6.704 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.756 -7.373 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.072 -5.747 -5.305 1.00 0.00 H new ATOM 1082 N LEU A 71 -7.395 -7.204 -6.291 1.00 0.00 N ATOM 1083 CA LEU A 71 -6.373 -8.284 -6.138 1.00 0.00 C ATOM 1084 C LEU A 71 -5.184 -8.013 -7.064 1.00 0.00 C ATOM 1085 O LEU A 71 -4.545 -8.920 -7.559 1.00 0.00 O ATOM 1086 CB LEU A 71 -7.084 -9.580 -6.535 1.00 0.00 C ATOM 1087 CG LEU A 71 -8.350 -9.753 -5.691 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -9.574 -9.328 -6.505 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -8.496 -11.222 -5.288 1.00 0.00 C ATOM 0 H LEU A 71 -7.806 -6.865 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.982 -8.339 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.342 -9.555 -7.594 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.419 -10.431 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.275 -9.133 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.473 -9.452 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.473 -8.282 -6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.649 -9.947 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.397 -11.347 -4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.569 -11.839 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.627 -11.528 -4.706 1.00 0.00 H new ATOM 1101 N GLU A 72 -4.880 -6.763 -7.281 1.00 0.00 N ATOM 1102 CA GLU A 72 -3.725 -6.405 -8.154 1.00 0.00 C ATOM 1103 C GLU A 72 -2.839 -5.375 -7.450 1.00 0.00 C ATOM 1104 O GLU A 72 -2.945 -4.191 -7.704 1.00 0.00 O ATOM 1105 CB GLU A 72 -4.350 -5.803 -9.411 1.00 0.00 C ATOM 1106 CG GLU A 72 -5.182 -6.866 -10.128 1.00 0.00 C ATOM 1107 CD GLU A 72 -4.431 -7.347 -11.372 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -3.291 -6.946 -11.543 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -5.008 -8.107 -12.131 1.00 0.00 O ATOM 0 H GLU A 72 -5.385 -5.969 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.096 -7.265 -8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.978 -4.953 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.570 -5.429 -10.074 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.375 -7.705 -9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.151 -6.455 -10.411 1.00 0.00 H new ATOM 1116 N PRO A 73 -2.018 -5.856 -6.559 1.00 0.00 N ATOM 1117 CA PRO A 73 -1.139 -4.956 -5.778 1.00 0.00 C ATOM 1118 C PRO A 73 -0.454 -3.955 -6.710 1.00 0.00 C ATOM 1119 O PRO A 73 0.125 -4.323 -7.712 1.00 0.00 O ATOM 1120 CB PRO A 73 -0.125 -5.903 -5.147 1.00 0.00 C ATOM 1121 CG PRO A 73 -0.812 -7.234 -5.092 1.00 0.00 C ATOM 1122 CD PRO A 73 -1.830 -7.265 -6.204 1.00 0.00 C ATOM 0 HA PRO A 73 -1.673 -4.365 -5.034 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.788 -5.955 -5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.162 -5.566 -4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.091 -8.043 -5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.295 -7.376 -4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.473 -7.846 -7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.764 -7.721 -5.876 1.00 0.00 H new ATOM 1130 N THR A 74 -0.567 -2.687 -6.422 1.00 0.00 N ATOM 1131 CA THR A 74 0.023 -1.669 -7.337 1.00 0.00 C ATOM 1132 C THR A 74 0.769 -0.599 -6.536 1.00 0.00 C ATOM 1133 O THR A 74 0.323 -0.164 -5.493 1.00 0.00 O ATOM 1134 CB THR A 74 -1.171 -1.057 -8.072 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.809 -2.060 -8.850 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.689 0.072 -8.986 1.00 0.00 C ATOM 0 H THR A 74 -1.039 -2.314 -5.598 1.00 0.00 H new ATOM 0 HA THR A 74 0.746 -2.106 -8.026 1.00 0.00 H new ATOM 0 HB THR A 74 -1.877 -0.654 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.399 -2.593 -8.277 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.541 0.506 -9.508 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.200 0.841 -8.388 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.018 -0.326 -9.714 1.00 0.00 H new ATOM 1144 N GLY A 75 1.906 -0.178 -7.018 1.00 0.00 N ATOM 1145 CA GLY A 75 2.691 0.857 -6.289 1.00 0.00 C ATOM 1146 C GLY A 75 4.186 0.548 -6.423 1.00 0.00 C ATOM 1147 O GLY A 75 4.567 -0.318 -7.187 1.00 0.00 O ATOM 0 H GLY A 75 2.326 -0.507 -7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.475 1.846 -6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.404 0.873 -5.238 1.00 0.00 H new ATOM 1151 N PRO A 76 4.996 1.266 -5.678 1.00 0.00 N ATOM 1152 CA PRO A 76 4.487 2.316 -4.755 1.00 0.00 C ATOM 1153 C PRO A 76 3.930 3.503 -5.549 1.00 0.00 C ATOM 1154 O PRO A 76 4.471 3.893 -6.565 1.00 0.00 O ATOM 1155 CB PRO A 76 5.723 2.713 -3.948 1.00 0.00 C ATOM 1156 CG PRO A 76 6.884 2.352 -4.819 1.00 0.00 C ATOM 1157 CD PRO A 76 6.459 1.160 -5.635 1.00 0.00 C ATOM 0 HA PRO A 76 3.669 1.975 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.719 3.778 -3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.762 2.181 -2.997 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.157 3.186 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.761 2.116 -4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.891 1.186 -6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.779 0.226 -5.174 1.00 0.00 H new ATOM 1165 N LEU A 77 2.796 4.014 -5.146 1.00 0.00 N ATOM 1166 CA LEU A 77 2.136 5.098 -5.933 1.00 0.00 C ATOM 1167 C LEU A 77 2.512 6.471 -5.371 1.00 0.00 C ATOM 1168 O LEU A 77 2.692 6.638 -4.183 1.00 0.00 O ATOM 1169 CB LEU A 77 0.637 4.841 -5.774 1.00 0.00 C ATOM 1170 CG LEU A 77 -0.145 5.772 -6.704 1.00 0.00 C ATOM 1171 CD1 LEU A 77 -1.066 4.942 -7.599 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -0.987 6.740 -5.870 1.00 0.00 C ATOM 0 H LEU A 77 2.297 3.727 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 77 2.443 5.095 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.409 3.801 -6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.337 5.008 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 77 0.554 6.336 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.623 5.604 -8.262 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.469 4.251 -8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.763 4.378 -6.980 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.543 7.402 -6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.685 6.175 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.333 7.333 -5.230 1.00 0.00 H new ATOM 1184 N HIS A 78 2.695 7.441 -6.223 1.00 0.00 N ATOM 1185 CA HIS A 78 3.136 8.786 -5.747 1.00 0.00 C ATOM 1186 C HIS A 78 2.061 9.424 -4.858 1.00 0.00 C ATOM 1187 O HIS A 78 0.907 9.514 -5.228 1.00 0.00 O ATOM 1188 CB HIS A 78 3.331 9.601 -7.025 1.00 0.00 C ATOM 1189 CG HIS A 78 3.822 10.977 -6.674 1.00 0.00 C ATOM 1190 ND1 HIS A 78 3.014 12.098 -6.777 1.00 0.00 N ATOM 1191 CD2 HIS A 78 5.036 11.431 -6.222 1.00 0.00 C ATOM 1192 CE1 HIS A 78 3.745 13.162 -6.396 1.00 0.00 C ATOM 1193 NE2 HIS A 78 4.985 12.811 -6.046 1.00 0.00 N ATOM 0 H HIS A 78 2.558 7.362 -7.231 1.00 0.00 H new ATOM 0 HA HIS A 78 4.044 8.735 -5.146 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.047 9.104 -7.680 1.00 0.00 H new ATOM 0 HB3 HIS A 78 2.391 9.668 -7.573 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.900 10.811 -6.032 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.374 14.176 -6.376 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.734 13.422 -5.720 1.00 0.00 H new ATOM 1201 N THR A 79 2.443 9.902 -3.701 1.00 0.00 N ATOM 1202 CA THR A 79 1.456 10.573 -2.802 1.00 0.00 C ATOM 1203 C THR A 79 2.121 11.733 -2.050 1.00 0.00 C ATOM 1204 O THR A 79 3.329 11.815 -1.959 1.00 0.00 O ATOM 1205 CB THR A 79 0.996 9.493 -1.818 1.00 0.00 C ATOM 1206 OG1 THR A 79 0.041 10.050 -0.925 1.00 0.00 O ATOM 1207 CG2 THR A 79 2.195 8.973 -1.024 1.00 0.00 C ATOM 0 H THR A 79 3.396 9.857 -3.340 1.00 0.00 H new ATOM 0 HA THR A 79 0.620 10.992 -3.361 1.00 0.00 H new ATOM 0 HB THR A 79 0.546 8.667 -2.369 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.642 9.379 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.863 8.205 -0.325 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.928 8.548 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.649 9.795 -0.471 1.00 0.00 H new ATOM 1215 N GLN A 80 1.340 12.648 -1.544 1.00 0.00 N ATOM 1216 CA GLN A 80 1.922 13.830 -0.839 1.00 0.00 C ATOM 1217 C GLN A 80 2.697 13.394 0.411 1.00 0.00 C ATOM 1218 O GLN A 80 3.463 14.153 0.970 1.00 0.00 O ATOM 1219 CB GLN A 80 0.717 14.692 -0.453 1.00 0.00 C ATOM 1220 CG GLN A 80 -0.180 13.919 0.516 1.00 0.00 C ATOM 1221 CD GLN A 80 -1.454 14.725 0.784 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -2.242 14.952 -0.113 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -1.689 15.173 1.988 1.00 0.00 N ATOM 0 H GLN A 80 0.321 12.630 -1.588 1.00 0.00 H new ATOM 0 HA GLN A 80 2.630 14.370 -1.467 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.054 15.620 0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.154 14.967 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.434 12.946 0.096 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.350 13.734 1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -1.028 14.983 2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -2.534 15.713 2.175 1.00 0.00 H new ATOM 1232 N PHE A 81 2.489 12.190 0.870 1.00 0.00 N ATOM 1233 CA PHE A 81 3.198 11.730 2.102 1.00 0.00 C ATOM 1234 C PHE A 81 4.471 10.962 1.732 1.00 0.00 C ATOM 1235 O PHE A 81 5.089 10.332 2.567 1.00 0.00 O ATOM 1236 CB PHE A 81 2.211 10.804 2.810 1.00 0.00 C ATOM 1237 CG PHE A 81 0.984 11.586 3.215 1.00 0.00 C ATOM 1238 CD1 PHE A 81 0.951 12.243 4.453 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.121 11.652 2.355 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -0.188 12.966 4.831 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -1.260 12.377 2.732 1.00 0.00 C ATOM 1242 CZ PHE A 81 -1.293 13.033 3.971 1.00 0.00 C ATOM 0 H PHE A 81 1.861 11.506 0.448 1.00 0.00 H new ATOM 0 HA PHE A 81 3.501 12.566 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.930 9.983 2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.679 10.361 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.803 12.192 5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.095 11.144 1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.215 13.472 5.785 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.111 12.430 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.171 13.590 4.263 1.00 0.00 H new ATOM 1252 N GLY A 82 4.812 10.930 0.475 1.00 0.00 N ATOM 1253 CA GLY A 82 5.976 10.110 0.041 1.00 0.00 C ATOM 1254 C GLY A 82 5.530 9.175 -1.082 1.00 0.00 C ATOM 1255 O GLY A 82 5.081 9.612 -2.123 1.00 0.00 O ATOM 0 H GLY A 82 4.335 11.436 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.784 10.755 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.365 9.533 0.880 1.00 0.00 H new ATOM 1259 N TYR A 83 5.563 7.894 -0.849 1.00 0.00 N ATOM 1260 CA TYR A 83 5.048 6.944 -1.873 1.00 0.00 C ATOM 1261 C TYR A 83 4.282 5.802 -1.200 1.00 0.00 C ATOM 1262 O TYR A 83 4.786 5.136 -0.317 1.00 0.00 O ATOM 1263 CB TYR A 83 6.294 6.423 -2.587 1.00 0.00 C ATOM 1264 CG TYR A 83 6.831 7.502 -3.497 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.711 8.470 -2.994 1.00 0.00 C ATOM 1266 CD2 TYR A 83 6.449 7.536 -4.846 1.00 0.00 C ATOM 1267 CE1 TYR A 83 8.208 9.472 -3.839 1.00 0.00 C ATOM 1268 CE2 TYR A 83 6.946 8.538 -5.690 1.00 0.00 C ATOM 1269 CZ TYR A 83 7.825 9.507 -5.188 1.00 0.00 C ATOM 1270 OH TYR A 83 8.315 10.493 -6.019 1.00 0.00 O ATOM 0 H TYR A 83 5.923 7.464 0.003 1.00 0.00 H new ATOM 0 HA TYR A 83 4.353 7.416 -2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.052 6.134 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.051 5.531 -3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.006 8.444 -1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.772 6.790 -5.234 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.886 10.218 -3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.651 8.564 -6.729 1.00 0.00 H new ATOM 0 HH TYR A 83 9.238 10.280 -6.271 1.00 0.00 H new ATOM 1280 N HIS A 84 3.071 5.567 -1.625 1.00 0.00 N ATOM 1281 CA HIS A 84 2.266 4.459 -1.029 1.00 0.00 C ATOM 1282 C HIS A 84 2.230 3.256 -1.965 1.00 0.00 C ATOM 1283 O HIS A 84 1.669 3.323 -3.041 1.00 0.00 O ATOM 1284 CB HIS A 84 0.847 5.012 -0.862 1.00 0.00 C ATOM 1285 CG HIS A 84 0.826 6.047 0.226 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.068 7.106 0.220 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.572 6.192 1.367 1.00 0.00 C ATOM 1288 CE1 HIS A 84 0.160 7.835 1.327 1.00 0.00 C ATOM 1289 NE2 HIS A 84 1.151 7.321 2.062 1.00 0.00 N ATOM 0 H HIS A 84 2.602 6.095 -2.361 1.00 0.00 H new ATOM 0 HA HIS A 84 2.696 4.131 -0.083 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.506 5.451 -1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.158 4.203 -0.619 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -0.771 7.298 -0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.366 5.530 1.679 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.390 8.726 1.590 1.00 0.00 H new ATOM 1297 N ILE A 85 2.571 2.103 -1.466 1.00 0.00 N ATOM 1298 CA ILE A 85 2.260 0.869 -2.238 1.00 0.00 C ATOM 1299 C ILE A 85 1.142 0.105 -1.529 1.00 0.00 C ATOM 1300 O ILE A 85 1.115 0.026 -0.316 1.00 0.00 O ATOM 1301 CB ILE A 85 3.553 0.057 -2.263 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.432 -1.061 -3.300 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.793 -0.554 -0.886 1.00 0.00 C ATOM 1304 CD1 ILE A 85 4.824 -1.421 -3.825 1.00 0.00 C ATOM 0 H ILE A 85 3.043 1.961 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 85 1.920 1.081 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 85 4.387 0.708 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.962 -1.937 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.793 -0.741 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.716 -1.134 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.876 0.241 -0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.959 -1.206 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.739 -2.218 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.277 -0.544 -4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.449 -1.758 -2.998 1.00 0.00 H new ATOM 1316 N ILE A 86 0.120 -0.264 -2.249 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.099 -0.789 -1.573 1.00 0.00 C ATOM 1318 C ILE A 86 -1.542 -2.112 -2.206 1.00 0.00 C ATOM 1319 O ILE A 86 -1.638 -2.237 -3.413 1.00 0.00 O ATOM 1320 CB ILE A 86 -2.153 0.297 -1.796 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.648 1.618 -1.211 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.453 -0.105 -1.098 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.529 2.768 -1.704 1.00 0.00 C ATOM 0 H ILE A 86 0.075 -0.226 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.932 -0.997 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.336 0.416 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.665 1.575 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.613 1.787 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.205 0.668 -1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.810 -1.049 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.271 -0.221 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.168 3.708 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.490 2.816 -2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.558 2.601 -1.385 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.873 -3.079 -1.392 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.382 -4.374 -1.927 1.00 0.00 C ATOM 1337 C LYS A 87 -3.911 -4.386 -1.872 1.00 0.00 C ATOM 1338 O LYS A 87 -4.504 -3.907 -0.926 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.810 -5.444 -0.995 1.00 0.00 C ATOM 1340 CG LYS A 87 -0.297 -5.264 -0.877 1.00 0.00 C ATOM 1341 CD LYS A 87 0.319 -6.507 -0.230 1.00 0.00 C ATOM 1342 CE LYS A 87 0.617 -7.550 -1.313 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.471 -8.878 -0.643 1.00 0.00 N ATOM 0 H LYS A 87 -1.812 -3.027 -0.375 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.089 -4.541 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.273 -5.369 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.039 -6.437 -1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.138 -5.101 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.071 -4.381 -0.279 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.236 -6.240 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.364 -6.921 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.075 -7.455 -2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.622 -7.422 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.662 -9.636 -1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.147 -8.946 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.497 -8.978 -0.277 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.550 -4.897 -2.889 1.00 0.00 N ATOM 1358 CA VAL A 88 -6.044 -4.901 -2.913 1.00 0.00 C ATOM 1359 C VAL A 88 -6.570 -6.328 -2.744 1.00 0.00 C ATOM 1360 O VAL A 88 -6.065 -7.254 -3.341 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.412 -4.356 -4.294 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.927 -4.163 -4.382 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.712 -3.014 -4.518 1.00 0.00 C ATOM 0 H VAL A 88 -4.103 -5.313 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.475 -4.306 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.092 -5.064 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.188 -3.775 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.425 -5.120 -4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.249 -3.457 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.975 -2.626 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.029 -2.306 -3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.632 -3.152 -4.459 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.592 -6.514 -1.951 1.00 0.00 N ATOM 1374 CA LEU A 89 -8.158 -7.871 -1.772 1.00 0.00 C ATOM 1375 C LEU A 89 -9.685 -7.775 -1.613 1.00 0.00 C ATOM 1376 O LEU A 89 -10.180 -6.959 -0.863 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.518 -8.403 -0.489 1.00 0.00 C ATOM 1378 CG LEU A 89 -6.021 -8.620 -0.717 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -5.364 -9.070 0.590 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.817 -9.699 -1.784 1.00 0.00 C ATOM 0 H LEU A 89 -8.057 -5.778 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.959 -8.524 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.674 -7.698 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.991 -9.340 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.568 -7.687 -1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.297 -9.224 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.507 -8.304 1.352 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.819 -10.003 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.750 -9.853 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.272 -10.632 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.283 -9.381 -2.717 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.423 -8.628 -2.271 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.914 -8.643 -2.123 1.00 0.00 C ATOM 1394 C TYR A 90 -12.534 -7.349 -2.660 1.00 0.00 C ATOM 1395 O TYR A 90 -13.353 -7.373 -3.558 1.00 0.00 O ATOM 1396 CB TYR A 90 -12.191 -8.790 -0.621 1.00 0.00 C ATOM 1397 CG TYR A 90 -11.490 -10.018 -0.091 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -12.128 -11.266 -0.139 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -10.202 -9.910 0.451 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -11.478 -12.405 0.356 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -9.553 -11.048 0.948 1.00 0.00 C ATOM 1402 CZ TYR A 90 -10.190 -12.296 0.900 1.00 0.00 C ATOM 1403 OH TYR A 90 -9.550 -13.416 1.390 1.00 0.00 O ATOM 0 H TYR A 90 -10.053 -9.327 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.355 -9.460 -2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -11.844 -7.904 -0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.264 -8.868 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.120 -11.349 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -9.710 -8.949 0.486 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.969 -13.366 0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.562 -10.964 1.368 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.666 -13.165 1.729 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.222 -6.232 -2.064 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.876 -4.958 -2.482 1.00 0.00 C ATOM 1415 C ARG A 91 -14.397 -5.135 -2.531 1.00 0.00 C ATOM 1416 O ARG A 91 -15.062 -4.612 -3.403 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.330 -4.664 -3.877 1.00 0.00 C ATOM 1418 CG ARG A 91 -12.673 -3.223 -4.260 1.00 0.00 C ATOM 1419 CD ARG A 91 -11.996 -2.867 -5.584 1.00 0.00 C ATOM 1420 NE ARG A 91 -12.720 -3.669 -6.612 1.00 0.00 N ATOM 1421 CZ ARG A 91 -12.676 -3.317 -7.871 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -11.996 -2.263 -8.238 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -13.314 -4.023 -8.764 1.00 0.00 N ATOM 0 H ARG A 91 -11.544 -6.145 -1.307 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.670 -4.145 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.250 -4.810 -3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.758 -5.357 -4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.753 -3.108 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.344 -2.540 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.070 -1.799 -5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.935 -3.115 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.251 -4.494 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.496 -1.710 -7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.965 -1.993 -9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.845 -4.846 -8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.282 -3.752 -9.747 1.00 0.00 H new ATOM 1437 N ASN A 92 -14.951 -5.861 -1.601 1.00 0.00 N ATOM 1438 CA ASN A 92 -16.428 -6.063 -1.597 1.00 0.00 C ATOM 1439 C ASN A 92 -16.894 -6.537 -0.217 1.00 0.00 C ATOM 1440 O ASN A 92 -17.984 -7.077 -0.136 1.00 0.00 O ATOM 1441 CB ASN A 92 -16.686 -7.145 -2.647 1.00 0.00 C ATOM 1442 CG ASN A 92 -18.176 -7.170 -2.990 1.00 0.00 C ATOM 1443 OD1 ASN A 92 -18.781 -8.222 -3.055 1.00 0.00 O ATOM 1444 ND2 ASN A 92 -18.800 -6.045 -3.212 1.00 0.00 N ATOM 1445 OXT ASN A 92 -16.151 -6.353 0.733 1.00 0.00 O ATOM 0 H ASN A 92 -14.447 -6.323 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 92 -16.969 -5.143 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.098 -6.946 -3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.372 -8.118 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -19.794 -6.050 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -18.293 -5.161 -3.158 1.00 0.00 H new TER 1452 ASN A 92