USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 822 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 50 ZNZN :(H bumps) USER MOD NoAdj-H: B 40 HIS HD1 : B 40 HIS ND1 : B 150 ZNZN :(H bumps) USER MOD Set 1.1: B 12 GLN : amide:sc= 0.888 K(o=2.1,f=-3.9) USER MOD Set 1.2: B 16 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 15:sc= -3.23! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 15 MET CE :methyl -162:sc= -0.0968 (180deg=-0.844) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 0:sc= -4.17! USER MOD Single : A 22 SER OG : rot -160:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0186) USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= 1.2 (180deg=0.835) USER MOD Single : A 46 THR OG1 : rot 78:sc= 0.109 USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 1 MET CE :methyl 175:sc= 0 (180deg=-0.0334) USER MOD Single : B 1 MET N :NH3+ -176:sc= 0 (180deg=-0.01) USER MOD Single : B 3 TYR OH : rot 28:sc= -2.47! USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 15 MET CE :methyl 177:sc= 0 (180deg=-0.0102) USER MOD Single : B 18 TYR OH : rot 30:sc= -1.05 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 THR OG1 : rot 77:sc= 1.14 USER MOD Single : B 48 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.606 -20.161 -7.175 1.00 0.00 N ATOM 2 CA MET A 1 -2.826 -20.222 -5.706 1.00 0.00 C ATOM 3 C MET A 1 -2.597 -18.842 -5.084 1.00 0.00 C ATOM 4 O MET A 1 -3.571 -18.138 -4.819 1.00 0.00 O ATOM 5 CB MET A 1 -2.022 -21.370 -5.053 1.00 0.00 C ATOM 6 CG MET A 1 -2.409 -21.663 -3.594 1.00 0.00 C ATOM 7 SD MET A 1 -1.716 -20.544 -2.341 1.00 0.00 S ATOM 8 CE MET A 1 -2.281 -21.373 -0.830 1.00 0.00 C ATOM 0 H1 MET A 1 -2.764 -21.102 -7.589 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.270 -19.481 -7.598 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.630 -19.857 -7.368 1.00 0.00 H new ATOM 0 HA MET A 1 -3.866 -20.476 -5.503 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.161 -22.276 -5.642 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.961 -21.123 -5.093 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.496 -21.635 -3.515 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.098 -22.680 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.940 -20.814 0.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.370 -21.421 -0.827 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.873 -22.383 -0.795 1.00 0.00 H new ATOM 20 N ASP A 2 -1.345 -18.407 -4.885 1.00 0.00 N ATOM 21 CA ASP A 2 -1.038 -17.045 -4.419 1.00 0.00 C ATOM 22 C ASP A 2 -1.395 -15.982 -5.479 1.00 0.00 C ATOM 23 O ASP A 2 -0.984 -16.075 -6.639 1.00 0.00 O ATOM 24 CB ASP A 2 0.449 -16.922 -4.050 1.00 0.00 C ATOM 25 CG ASP A 2 0.790 -17.603 -2.714 1.00 0.00 C ATOM 26 OD1 ASP A 2 0.331 -17.109 -1.657 1.00 0.00 O ATOM 27 OD2 ASP A 2 1.551 -18.599 -2.718 1.00 0.00 O ATOM 0 H ASP A 2 -0.519 -18.985 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.649 -16.864 -3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.053 -17.364 -4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.719 -15.867 -3.994 1.00 0.00 H new ATOM 32 N TYR A 3 -2.126 -14.947 -5.057 1.00 0.00 N ATOM 33 CA TYR A 3 -2.328 -13.694 -5.799 1.00 0.00 C ATOM 34 C TYR A 3 -2.570 -12.541 -4.816 1.00 0.00 C ATOM 35 O TYR A 3 -1.703 -11.682 -4.651 1.00 0.00 O ATOM 36 CB TYR A 3 -3.491 -13.834 -6.807 1.00 0.00 C ATOM 37 CG TYR A 3 -4.168 -12.516 -7.159 1.00 0.00 C ATOM 38 CD1 TYR A 3 -3.430 -11.474 -7.757 1.00 0.00 C ATOM 39 CD2 TYR A 3 -5.506 -12.295 -6.772 1.00 0.00 C ATOM 40 CE1 TYR A 3 -4.027 -10.214 -7.962 1.00 0.00 C ATOM 41 CE2 TYR A 3 -6.099 -11.032 -6.961 1.00 0.00 C ATOM 42 CZ TYR A 3 -5.363 -9.990 -7.566 1.00 0.00 C ATOM 43 OH TYR A 3 -5.934 -8.771 -7.765 1.00 0.00 O ATOM 0 H TYR A 3 -2.611 -14.956 -4.160 1.00 0.00 H new ATOM 0 HA TYR A 3 -1.428 -13.471 -6.373 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.113 -14.292 -7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.236 -14.514 -6.394 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.406 -11.642 -8.058 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.078 -13.097 -6.329 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.461 -9.418 -8.423 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.117 -10.860 -6.643 1.00 0.00 H new ATOM 0 HH TYR A 3 -5.387 -8.252 -8.391 1.00 0.00 H new ATOM 53 N LEU A 4 -3.705 -12.541 -4.106 1.00 0.00 N ATOM 54 CA LEU A 4 -4.086 -11.459 -3.210 1.00 0.00 C ATOM 55 C LEU A 4 -3.161 -11.327 -1.993 1.00 0.00 C ATOM 56 O LEU A 4 -2.951 -10.221 -1.513 1.00 0.00 O ATOM 57 CB LEU A 4 -5.578 -11.594 -2.887 1.00 0.00 C ATOM 58 CG LEU A 4 -5.938 -12.767 -1.968 1.00 0.00 C ATOM 59 CD1 LEU A 4 -5.953 -12.375 -0.488 1.00 0.00 C ATOM 60 CD2 LEU A 4 -7.320 -13.303 -2.335 1.00 0.00 C ATOM 0 H LEU A 4 -4.385 -13.300 -4.142 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.946 -10.500 -3.709 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.919 -10.669 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.128 -11.702 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.168 -13.525 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.214 -13.244 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.966 -12.014 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.689 -11.587 -0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.573 -14.137 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.060 -12.512 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.315 -13.644 -3.370 1.00 0.00 H new ATOM 72 N ARG A 5 -2.535 -12.420 -1.537 1.00 0.00 N ATOM 73 CA ARG A 5 -1.477 -12.371 -0.513 1.00 0.00 C ATOM 74 C ARG A 5 -0.213 -11.690 -1.025 1.00 0.00 C ATOM 75 O ARG A 5 0.309 -10.825 -0.329 1.00 0.00 O ATOM 76 CB ARG A 5 -1.156 -13.797 -0.018 1.00 0.00 C ATOM 77 CG ARG A 5 -2.158 -14.318 1.028 1.00 0.00 C ATOM 78 CD ARG A 5 -1.769 -13.937 2.467 1.00 0.00 C ATOM 79 NE ARG A 5 -0.573 -14.676 2.937 1.00 0.00 N ATOM 80 CZ ARG A 5 -0.525 -15.911 3.413 1.00 0.00 C ATOM 81 NH1 ARG A 5 -1.591 -16.645 3.561 1.00 0.00 N ATOM 82 NH2 ARG A 5 0.614 -16.443 3.756 1.00 0.00 N ATOM 0 H ARG A 5 -2.745 -13.363 -1.865 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.851 -11.773 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -1.145 -14.476 -0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.154 -13.808 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.148 -13.919 0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -2.227 -15.403 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.575 -12.866 2.518 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.606 -14.142 3.134 1.00 0.00 H new ATOM 0 HE ARG A 5 0.315 -14.176 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.506 -16.273 3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.511 -17.592 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.477 -15.908 3.659 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.643 -17.395 4.122 1.00 0.00 H new ATOM 96 N GLU A 6 0.261 -12.017 -2.231 1.00 0.00 N ATOM 97 CA GLU A 6 1.357 -11.321 -2.888 1.00 0.00 C ATOM 98 C GLU A 6 1.053 -9.829 -3.083 1.00 0.00 C ATOM 99 O GLU A 6 1.914 -8.994 -2.822 1.00 0.00 O ATOM 100 CB GLU A 6 1.646 -12.013 -4.228 1.00 0.00 C ATOM 101 CG GLU A 6 2.834 -12.975 -4.131 1.00 0.00 C ATOM 102 CD GLU A 6 3.474 -13.219 -5.513 1.00 0.00 C ATOM 103 OE1 GLU A 6 3.007 -14.115 -6.255 1.00 0.00 O ATOM 104 OE2 GLU A 6 4.463 -12.526 -5.853 1.00 0.00 O ATOM 0 H GLU A 6 -0.117 -12.787 -2.783 1.00 0.00 H new ATOM 0 HA GLU A 6 2.241 -11.371 -2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.761 -12.561 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.850 -11.260 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.580 -12.567 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.502 -13.924 -3.709 1.00 0.00 H new ATOM 111 N LEU A 7 -0.180 -9.483 -3.465 1.00 0.00 N ATOM 112 CA LEU A 7 -0.662 -8.112 -3.518 1.00 0.00 C ATOM 113 C LEU A 7 -0.632 -7.415 -2.156 1.00 0.00 C ATOM 114 O LEU A 7 0.032 -6.394 -2.026 1.00 0.00 O ATOM 115 CB LEU A 7 -2.063 -8.100 -4.129 1.00 0.00 C ATOM 116 CG LEU A 7 -2.095 -7.357 -5.457 1.00 0.00 C ATOM 117 CD1 LEU A 7 -1.309 -8.067 -6.559 1.00 0.00 C ATOM 118 CD2 LEU A 7 -3.547 -7.198 -5.891 1.00 0.00 C ATOM 0 H LEU A 7 -0.880 -10.167 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 7 0.016 -7.537 -4.149 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.403 -9.125 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.759 -7.631 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.618 -6.389 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.370 -7.488 -7.480 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.266 -8.162 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.730 -9.059 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.586 -6.667 -6.842 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.002 -8.182 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.092 -6.632 -5.136 1.00 0.00 H new ATOM 130 N TYR A 8 -1.294 -7.962 -1.133 1.00 0.00 N ATOM 131 CA TYR A 8 -1.230 -7.451 0.245 1.00 0.00 C ATOM 132 C TYR A 8 0.193 -7.194 0.719 1.00 0.00 C ATOM 133 O TYR A 8 0.539 -6.082 1.113 1.00 0.00 O ATOM 134 CB TYR A 8 -1.916 -8.434 1.198 1.00 0.00 C ATOM 135 CG TYR A 8 -2.432 -7.798 2.477 1.00 0.00 C ATOM 136 CD1 TYR A 8 -1.566 -7.622 3.576 1.00 0.00 C ATOM 137 CD2 TYR A 8 -3.771 -7.366 2.567 1.00 0.00 C ATOM 138 CE1 TYR A 8 -2.035 -7.011 4.754 1.00 0.00 C ATOM 139 CE2 TYR A 8 -4.244 -6.754 3.744 1.00 0.00 C ATOM 140 CZ TYR A 8 -3.374 -6.572 4.842 1.00 0.00 C ATOM 141 OH TYR A 8 -3.816 -5.977 5.985 1.00 0.00 O ATOM 0 H TYR A 8 -1.896 -8.779 -1.236 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.748 -6.492 0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.749 -8.907 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.212 -9.225 1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.541 -7.957 3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.438 -7.505 1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.369 -6.878 5.593 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.271 -6.424 3.807 1.00 0.00 H new ATOM 0 HH TYR A 8 -4.760 -5.733 5.883 1.00 0.00 H new ATOM 151 N LYS A 9 1.036 -8.219 0.622 1.00 0.00 N ATOM 152 CA LYS A 9 2.440 -8.157 1.059 1.00 0.00 C ATOM 153 C LYS A 9 3.381 -7.393 0.116 1.00 0.00 C ATOM 154 O LYS A 9 4.572 -7.283 0.409 1.00 0.00 O ATOM 155 CB LYS A 9 2.931 -9.554 1.466 1.00 0.00 C ATOM 156 CG LYS A 9 3.476 -10.392 0.303 1.00 0.00 C ATOM 157 CD LYS A 9 3.350 -11.883 0.632 1.00 0.00 C ATOM 158 CE LYS A 9 4.257 -12.725 -0.275 1.00 0.00 C ATOM 159 NZ LYS A 9 4.238 -14.164 0.105 1.00 0.00 N ATOM 0 H LYS A 9 0.768 -9.125 0.236 1.00 0.00 H new ATOM 0 HA LYS A 9 2.470 -7.530 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.712 -9.447 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.108 -10.094 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.926 -10.164 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.520 -10.138 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.615 -12.052 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.314 -12.199 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.935 -12.619 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.278 -12.348 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.863 -14.699 -0.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.570 -14.269 1.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.268 -14.531 0.027 1.00 0.00 H new ATOM 173 N LEU A 10 2.847 -6.805 -0.958 1.00 0.00 N ATOM 174 CA LEU A 10 3.463 -5.701 -1.700 1.00 0.00 C ATOM 175 C LEU A 10 2.867 -4.349 -1.285 1.00 0.00 C ATOM 176 O LEU A 10 3.620 -3.418 -1.033 1.00 0.00 O ATOM 177 CB LEU A 10 3.265 -5.918 -3.215 1.00 0.00 C ATOM 178 CG LEU A 10 4.232 -6.921 -3.871 1.00 0.00 C ATOM 179 CD1 LEU A 10 3.757 -7.234 -5.293 1.00 0.00 C ATOM 180 CD2 LEU A 10 5.656 -6.363 -3.970 1.00 0.00 C ATOM 0 H LEU A 10 1.949 -7.092 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 10 4.528 -5.686 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.244 -6.259 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.368 -4.957 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 10 4.242 -7.814 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.442 -7.944 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.757 -7.666 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.734 -6.315 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.305 -7.103 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.649 -5.454 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.028 -6.135 -2.971 1.00 0.00 H new ATOM 192 N GLU A 11 1.545 -4.217 -1.174 1.00 0.00 N ATOM 193 CA GLU A 11 0.854 -2.935 -0.973 1.00 0.00 C ATOM 194 C GLU A 11 0.978 -2.409 0.472 1.00 0.00 C ATOM 195 O GLU A 11 1.168 -1.210 0.666 1.00 0.00 O ATOM 196 CB GLU A 11 -0.622 -3.092 -1.385 1.00 0.00 C ATOM 197 CG GLU A 11 -0.836 -3.346 -2.895 1.00 0.00 C ATOM 198 CD GLU A 11 -1.262 -2.093 -3.670 1.00 0.00 C ATOM 199 OE1 GLU A 11 -2.378 -1.552 -3.598 1.00 0.00 O ATOM 200 OE2 GLU A 11 -0.613 -1.491 -4.545 1.00 0.00 O ATOM 0 H GLU A 11 0.908 -5.012 -1.222 1.00 0.00 H new ATOM 0 HA GLU A 11 1.336 -2.187 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.058 -3.918 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.165 -2.191 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.088 -3.733 -3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.595 -4.118 -3.022 1.00 0.00 H new ATOM 207 N GLN A 12 0.956 -3.272 1.495 1.00 0.00 N ATOM 208 CA GLN A 12 1.272 -2.895 2.880 1.00 0.00 C ATOM 209 C GLN A 12 2.777 -2.659 3.096 1.00 0.00 C ATOM 210 O GLN A 12 3.166 -1.759 3.843 1.00 0.00 O ATOM 211 CB GLN A 12 0.749 -3.983 3.832 1.00 0.00 C ATOM 212 CG GLN A 12 -0.383 -3.460 4.715 1.00 0.00 C ATOM 213 CD GLN A 12 0.111 -2.601 5.878 1.00 0.00 C ATOM 214 OE1 GLN A 12 0.237 -1.388 5.784 1.00 0.00 O ATOM 215 NE2 GLN A 12 0.411 -3.187 7.019 1.00 0.00 N ATOM 0 H GLN A 12 0.717 -4.258 1.385 1.00 0.00 H new ATOM 0 HA GLN A 12 0.778 -1.947 3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.395 -4.835 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.565 -4.341 4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.070 -2.874 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.948 -4.305 5.109 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.312 -4.198 7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.742 -2.630 7.807 1.00 0.00 H new ATOM 224 N GLN A 13 3.632 -3.414 2.397 1.00 0.00 N ATOM 225 CA GLN A 13 5.074 -3.144 2.328 1.00 0.00 C ATOM 226 C GLN A 13 5.348 -1.766 1.708 1.00 0.00 C ATOM 227 O GLN A 13 6.138 -0.990 2.237 1.00 0.00 O ATOM 228 CB GLN A 13 5.776 -4.272 1.570 1.00 0.00 C ATOM 229 CG GLN A 13 6.688 -5.131 2.462 1.00 0.00 C ATOM 230 CD GLN A 13 7.983 -4.424 2.872 1.00 0.00 C ATOM 231 OE1 GLN A 13 8.669 -3.794 2.073 1.00 0.00 O ATOM 232 NE2 GLN A 13 8.381 -4.504 4.124 1.00 0.00 N ATOM 0 H GLN A 13 3.343 -4.232 1.861 1.00 0.00 H new ATOM 0 HA GLN A 13 5.482 -3.116 3.338 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.024 -4.912 1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.369 -3.843 0.762 1.00 0.00 H new ATOM 0 HG2 GLN A 13 6.140 -5.417 3.360 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.937 -6.051 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.825 -5.023 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.245 -4.047 4.415 1.00 0.00 H new ATOM 241 N ALA A 14 4.625 -1.424 0.640 1.00 0.00 N ATOM 242 CA ALA A 14 4.648 -0.114 0.006 1.00 0.00 C ATOM 243 C ALA A 14 4.103 0.998 0.908 1.00 0.00 C ATOM 244 O ALA A 14 4.667 2.084 0.929 1.00 0.00 O ATOM 245 CB ALA A 14 3.834 -0.188 -1.283 1.00 0.00 C ATOM 0 H ALA A 14 3.988 -2.076 0.181 1.00 0.00 H new ATOM 0 HA ALA A 14 5.687 0.142 -0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.839 0.786 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.273 -0.932 -1.948 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.808 -0.471 -1.049 1.00 0.00 H new ATOM 251 N MET A 15 3.041 0.751 1.682 1.00 0.00 N ATOM 252 CA MET A 15 2.440 1.753 2.574 1.00 0.00 C ATOM 253 C MET A 15 3.436 2.316 3.592 1.00 0.00 C ATOM 254 O MET A 15 3.503 3.533 3.784 1.00 0.00 O ATOM 255 CB MET A 15 1.230 1.132 3.288 1.00 0.00 C ATOM 256 CG MET A 15 0.483 2.146 4.167 1.00 0.00 C ATOM 257 SD MET A 15 -1.311 2.181 3.926 1.00 0.00 S ATOM 258 CE MET A 15 -1.324 2.801 2.224 1.00 0.00 C ATOM 0 H MET A 15 2.571 -0.154 1.709 1.00 0.00 H new ATOM 0 HA MET A 15 2.121 2.596 1.961 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.544 0.724 2.546 1.00 0.00 H new ATOM 0 HB3 MET A 15 1.565 0.298 3.905 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.691 1.922 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.882 3.141 3.969 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.312 3.196 1.988 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.582 3.593 2.120 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.085 1.988 1.539 1.00 0.00 H new ATOM 268 N LYS A 16 4.270 1.447 4.179 1.00 0.00 N ATOM 269 CA LYS A 16 5.393 1.851 5.038 1.00 0.00 C ATOM 270 C LYS A 16 6.385 2.790 4.357 1.00 0.00 C ATOM 271 O LYS A 16 7.015 3.598 5.033 1.00 0.00 O ATOM 272 CB LYS A 16 6.174 0.612 5.470 1.00 0.00 C ATOM 273 CG LYS A 16 5.507 -0.125 6.645 1.00 0.00 C ATOM 274 CD LYS A 16 6.460 -1.135 7.303 1.00 0.00 C ATOM 275 CE LYS A 16 5.797 -1.756 8.541 1.00 0.00 C ATOM 276 NZ LYS A 16 6.742 -2.614 9.305 1.00 0.00 N ATOM 0 H LYS A 16 4.184 0.436 4.071 1.00 0.00 H new ATOM 0 HA LYS A 16 4.946 2.381 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.266 -0.069 4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.184 0.905 5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.177 0.601 7.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.617 -0.644 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.722 -1.917 6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.388 -0.639 7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.422 -0.963 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.936 -2.349 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.256 -3.014 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.080 -3.386 8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.551 -2.043 9.622 1.00 0.00 H new ATOM 290 N LEU A 17 6.548 2.667 3.043 1.00 0.00 N ATOM 291 CA LEU A 17 7.572 3.340 2.271 1.00 0.00 C ATOM 292 C LEU A 17 7.040 4.613 1.652 1.00 0.00 C ATOM 293 O LEU A 17 7.769 5.599 1.624 1.00 0.00 O ATOM 294 CB LEU A 17 8.061 2.401 1.174 1.00 0.00 C ATOM 295 CG LEU A 17 8.673 1.144 1.782 1.00 0.00 C ATOM 296 CD1 LEU A 17 8.964 0.135 0.678 1.00 0.00 C ATOM 297 CD2 LEU A 17 9.938 1.419 2.599 1.00 0.00 C ATOM 0 H LEU A 17 5.946 2.073 2.472 1.00 0.00 H new ATOM 0 HA LEU A 17 8.394 3.606 2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.231 2.130 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.800 2.909 0.554 1.00 0.00 H new ATOM 0 HG LEU A 17 7.942 0.738 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.402 -0.764 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.036 -0.123 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.663 0.569 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 17 10.321 0.482 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.693 1.874 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.701 2.097 3.419 1.00 0.00 H new ATOM 309 N TYR A 18 5.774 4.631 1.227 1.00 0.00 N ATOM 310 CA TYR A 18 5.174 5.862 0.756 1.00 0.00 C ATOM 311 C TYR A 18 5.134 6.940 1.850 1.00 0.00 C ATOM 312 O TYR A 18 5.498 8.081 1.570 1.00 0.00 O ATOM 313 CB TYR A 18 3.812 5.528 0.149 1.00 0.00 C ATOM 314 CG TYR A 18 3.894 4.908 -1.235 1.00 0.00 C ATOM 315 CD1 TYR A 18 4.590 5.588 -2.254 1.00 0.00 C ATOM 316 CD2 TYR A 18 3.250 3.688 -1.523 1.00 0.00 C ATOM 317 CE1 TYR A 18 4.662 5.053 -3.550 1.00 0.00 C ATOM 318 CE2 TYR A 18 3.306 3.156 -2.827 1.00 0.00 C ATOM 319 CZ TYR A 18 4.016 3.836 -3.838 1.00 0.00 C ATOM 320 OH TYR A 18 4.046 3.340 -5.100 1.00 0.00 O ATOM 0 H TYR A 18 5.161 3.816 1.203 1.00 0.00 H new ATOM 0 HA TYR A 18 5.788 6.310 -0.025 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.287 4.842 0.814 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.216 6.439 0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.072 6.529 -2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.715 3.162 -0.746 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.210 5.573 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.805 2.226 -3.052 1.00 0.00 H new ATOM 0 HH TYR A 18 4.553 3.948 -5.678 1.00 0.00 H new ATOM 330 N ARG A 19 4.829 6.593 3.114 1.00 0.00 N ATOM 331 CA ARG A 19 5.009 7.531 4.246 1.00 0.00 C ATOM 332 C ARG A 19 6.473 7.950 4.487 1.00 0.00 C ATOM 333 O ARG A 19 6.734 9.121 4.757 1.00 0.00 O ATOM 334 CB ARG A 19 4.335 7.003 5.533 1.00 0.00 C ATOM 335 CG ARG A 19 5.019 5.781 6.160 1.00 0.00 C ATOM 336 CD ARG A 19 4.343 5.309 7.448 1.00 0.00 C ATOM 337 NE ARG A 19 5.157 4.271 8.112 1.00 0.00 N ATOM 338 CZ ARG A 19 4.903 3.687 9.270 1.00 0.00 C ATOM 339 NH1 ARG A 19 3.820 3.936 9.949 1.00 0.00 N ATOM 340 NH2 ARG A 19 5.747 2.834 9.778 1.00 0.00 N ATOM 0 H ARG A 19 4.460 5.680 3.379 1.00 0.00 H new ATOM 0 HA ARG A 19 4.498 8.448 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.310 7.806 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.300 6.746 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.022 4.964 5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 19 6.060 6.024 6.371 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.202 6.154 8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.353 4.913 7.221 1.00 0.00 H new ATOM 0 HE ARG A 19 6.003 3.974 7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.135 4.601 9.590 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.657 3.466 10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.610 2.613 9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.544 2.387 10.672 1.00 0.00 H new ATOM 354 N GLU A 20 7.432 7.026 4.377 1.00 0.00 N ATOM 355 CA GLU A 20 8.839 7.266 4.763 1.00 0.00 C ATOM 356 C GLU A 20 9.595 8.101 3.727 1.00 0.00 C ATOM 357 O GLU A 20 10.235 9.105 4.046 1.00 0.00 O ATOM 358 CB GLU A 20 9.558 5.920 4.922 1.00 0.00 C ATOM 359 CG GLU A 20 10.799 6.023 5.818 1.00 0.00 C ATOM 360 CD GLU A 20 11.383 4.629 6.128 1.00 0.00 C ATOM 361 OE1 GLU A 20 11.932 3.975 5.209 1.00 0.00 O ATOM 362 OE2 GLU A 20 11.306 4.184 7.300 1.00 0.00 O ATOM 0 H GLU A 20 7.261 6.087 4.018 1.00 0.00 H new ATOM 0 HA GLU A 20 8.827 7.821 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.868 5.190 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.852 5.550 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.555 6.636 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.537 6.525 6.749 1.00 0.00 H new ATOM 369 N ALA A 21 9.471 7.688 2.469 1.00 0.00 N ATOM 370 CA ALA A 21 9.985 8.416 1.314 1.00 0.00 C ATOM 371 C ALA A 21 9.381 9.828 1.228 1.00 0.00 C ATOM 372 O ALA A 21 10.120 10.786 1.016 1.00 0.00 O ATOM 373 CB ALA A 21 9.728 7.600 0.042 1.00 0.00 C ATOM 0 H ALA A 21 9.000 6.819 2.219 1.00 0.00 H new ATOM 0 HA ALA A 21 11.061 8.550 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.111 8.143 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.233 6.637 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.656 7.439 -0.077 1.00 0.00 H new ATOM 379 N SER A 22 8.072 9.992 1.473 1.00 0.00 N ATOM 380 CA SER A 22 7.424 11.315 1.534 1.00 0.00 C ATOM 381 C SER A 22 8.075 12.236 2.563 1.00 0.00 C ATOM 382 O SER A 22 8.456 13.364 2.249 1.00 0.00 O ATOM 383 CB SER A 22 5.952 11.160 1.906 1.00 0.00 C ATOM 384 OG SER A 22 5.287 12.403 1.797 1.00 0.00 O ATOM 0 H SER A 22 7.432 9.214 1.634 1.00 0.00 H new ATOM 0 HA SER A 22 7.535 11.761 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.479 10.428 1.251 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.865 10.781 2.924 1.00 0.00 H new ATOM 0 HG SER A 22 4.460 12.379 2.322 1.00 0.00 H new ATOM 390 N GLU A 23 8.259 11.723 3.780 1.00 0.00 N ATOM 391 CA GLU A 23 8.887 12.450 4.896 1.00 0.00 C ATOM 392 C GLU A 23 10.296 12.997 4.566 1.00 0.00 C ATOM 393 O GLU A 23 10.673 14.056 5.077 1.00 0.00 O ATOM 394 CB GLU A 23 8.910 11.553 6.148 1.00 0.00 C ATOM 395 CG GLU A 23 9.253 12.323 7.430 1.00 0.00 C ATOM 396 CD GLU A 23 9.194 11.401 8.665 1.00 0.00 C ATOM 397 OE1 GLU A 23 8.103 11.256 9.269 1.00 0.00 O ATOM 398 OE2 GLU A 23 10.243 10.831 9.053 1.00 0.00 O ATOM 0 H GLU A 23 7.973 10.776 4.027 1.00 0.00 H new ATOM 0 HA GLU A 23 8.277 13.333 5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.936 11.078 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.639 10.755 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.250 12.755 7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.556 13.152 7.557 1.00 0.00 H new ATOM 405 N ARG A 24 11.059 12.327 3.683 1.00 0.00 N ATOM 406 CA ARG A 24 12.425 12.738 3.295 1.00 0.00 C ATOM 407 C ARG A 24 12.510 13.487 1.955 1.00 0.00 C ATOM 408 O ARG A 24 13.362 14.364 1.810 1.00 0.00 O ATOM 409 CB ARG A 24 13.360 11.508 3.304 1.00 0.00 C ATOM 410 CG ARG A 24 14.723 11.829 3.938 1.00 0.00 C ATOM 411 CD ARG A 24 14.625 11.888 5.473 1.00 0.00 C ATOM 412 NE ARG A 24 15.806 12.527 6.090 1.00 0.00 N ATOM 413 CZ ARG A 24 16.985 11.986 6.343 1.00 0.00 C ATOM 414 NH1 ARG A 24 17.279 10.758 6.018 1.00 0.00 N ATOM 415 NH2 ARG A 24 17.908 12.683 6.940 1.00 0.00 N ATOM 0 H ARG A 24 10.744 11.478 3.214 1.00 0.00 H new ATOM 0 HA ARG A 24 12.751 13.463 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.886 10.696 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.508 11.157 2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.450 11.071 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.088 12.783 3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.728 12.439 5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.515 10.877 5.866 1.00 0.00 H new ATOM 0 HE ARG A 24 15.698 13.507 6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.586 10.175 5.549 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.202 10.381 6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.722 13.648 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 24 18.817 12.264 7.135 1.00 0.00 H new ATOM 429 N VAL A 25 11.639 13.175 0.991 1.00 0.00 N ATOM 430 CA VAL A 25 11.605 13.797 -0.350 1.00 0.00 C ATOM 431 C VAL A 25 10.809 15.115 -0.347 1.00 0.00 C ATOM 432 O VAL A 25 11.186 16.063 -1.036 1.00 0.00 O ATOM 433 CB VAL A 25 11.043 12.800 -1.384 1.00 0.00 C ATOM 434 CG1 VAL A 25 10.862 13.400 -2.783 1.00 0.00 C ATOM 435 CG2 VAL A 25 11.972 11.585 -1.546 1.00 0.00 C ATOM 0 H VAL A 25 10.917 12.466 1.118 1.00 0.00 H new ATOM 0 HA VAL A 25 12.627 14.048 -0.634 1.00 0.00 H new ATOM 0 HB VAL A 25 10.069 12.516 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.463 12.641 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.169 14.240 -2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.825 13.747 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.550 10.900 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.953 11.920 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.072 11.073 -0.589 1.00 0.00 H new ATOM 445 N GLY A 26 9.747 15.207 0.460 1.00 0.00 N ATOM 446 CA GLY A 26 8.976 16.436 0.695 1.00 0.00 C ATOM 447 C GLY A 26 7.955 16.816 -0.394 1.00 0.00 C ATOM 448 O GLY A 26 7.412 17.924 -0.350 1.00 0.00 O ATOM 0 H GLY A 26 9.389 14.408 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.445 16.332 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.676 17.263 0.812 1.00 0.00 H new ATOM 452 N ASP A 27 7.692 15.941 -1.370 1.00 0.00 N ATOM 453 CA ASP A 27 6.707 16.188 -2.440 1.00 0.00 C ATOM 454 C ASP A 27 5.264 15.849 -1.995 1.00 0.00 C ATOM 455 O ASP A 27 5.038 14.772 -1.432 1.00 0.00 O ATOM 456 CB ASP A 27 7.074 15.374 -3.692 1.00 0.00 C ATOM 457 CG ASP A 27 7.971 16.182 -4.641 1.00 0.00 C ATOM 458 OD1 ASP A 27 7.461 17.142 -5.267 1.00 0.00 O ATOM 459 OD2 ASP A 27 9.176 15.863 -4.770 1.00 0.00 O ATOM 0 H ASP A 27 8.156 15.036 -1.445 1.00 0.00 H new ATOM 0 HA ASP A 27 6.737 17.253 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.586 14.459 -3.396 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.165 15.076 -4.214 1.00 0.00 H new ATOM 464 N PRO A 28 4.261 16.704 -2.288 1.00 0.00 N ATOM 465 CA PRO A 28 2.876 16.478 -1.866 1.00 0.00 C ATOM 466 C PRO A 28 2.229 15.283 -2.576 1.00 0.00 C ATOM 467 O PRO A 28 1.469 14.540 -1.957 1.00 0.00 O ATOM 468 CB PRO A 28 2.137 17.790 -2.159 1.00 0.00 C ATOM 469 CG PRO A 28 2.940 18.417 -3.297 1.00 0.00 C ATOM 470 CD PRO A 28 4.371 17.970 -3.002 1.00 0.00 C ATOM 0 HA PRO A 28 2.829 16.220 -0.808 1.00 0.00 H new ATOM 0 HB2 PRO A 28 1.103 17.609 -2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.112 18.439 -1.283 1.00 0.00 H new ATOM 0 HG2 PRO A 28 2.601 18.065 -4.271 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.850 19.503 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.939 17.849 -3.924 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.895 18.713 -2.400 1.00 0.00 H new ATOM 478 N VAL A 29 2.561 15.035 -3.850 1.00 0.00 N ATOM 479 CA VAL A 29 2.086 13.848 -4.584 1.00 0.00 C ATOM 480 C VAL A 29 2.552 12.542 -3.933 1.00 0.00 C ATOM 481 O VAL A 29 1.785 11.585 -3.877 1.00 0.00 O ATOM 482 CB VAL A 29 2.454 13.934 -6.081 1.00 0.00 C ATOM 483 CG1 VAL A 29 3.957 13.820 -6.365 1.00 0.00 C ATOM 484 CG2 VAL A 29 1.717 12.878 -6.907 1.00 0.00 C ATOM 0 H VAL A 29 3.163 15.646 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 29 0.998 13.838 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 29 2.137 14.934 -6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.131 13.890 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.485 14.628 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.325 12.861 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.003 12.971 -7.955 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.981 11.884 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.641 13.025 -6.810 1.00 0.00 H new ATOM 494 N LEU A 30 3.755 12.508 -3.349 1.00 0.00 N ATOM 495 CA LEU A 30 4.260 11.339 -2.619 1.00 0.00 C ATOM 496 C LEU A 30 3.415 11.048 -1.362 1.00 0.00 C ATOM 497 O LEU A 30 3.063 9.895 -1.106 1.00 0.00 O ATOM 498 CB LEU A 30 5.758 11.540 -2.299 1.00 0.00 C ATOM 499 CG LEU A 30 6.624 10.315 -2.648 1.00 0.00 C ATOM 500 CD1 LEU A 30 8.101 10.629 -2.418 1.00 0.00 C ATOM 501 CD2 LEU A 30 6.271 9.080 -1.822 1.00 0.00 C ATOM 0 H LEU A 30 4.407 13.292 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 30 4.167 10.454 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.127 12.406 -2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.869 11.765 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 30 6.426 10.095 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.702 9.755 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.398 11.466 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.259 10.890 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.915 8.251 -2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.416 9.297 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.230 8.810 -1.998 1.00 0.00 H new ATOM 513 N ALA A 31 2.997 12.093 -0.635 1.00 0.00 N ATOM 514 CA ALA A 31 2.034 11.971 0.461 1.00 0.00 C ATOM 515 C ALA A 31 0.662 11.458 -0.021 1.00 0.00 C ATOM 516 O ALA A 31 0.077 10.577 0.612 1.00 0.00 O ATOM 517 CB ALA A 31 1.900 13.320 1.181 1.00 0.00 C ATOM 0 H ALA A 31 3.320 13.048 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 31 2.412 11.226 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.183 13.227 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.869 13.616 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.553 14.076 0.476 1.00 0.00 H new ATOM 523 N LYS A 32 0.157 11.949 -1.164 1.00 0.00 N ATOM 524 CA LYS A 32 -1.109 11.466 -1.749 1.00 0.00 C ATOM 525 C LYS A 32 -1.052 10.030 -2.257 1.00 0.00 C ATOM 526 O LYS A 32 -2.093 9.371 -2.296 1.00 0.00 O ATOM 527 CB LYS A 32 -1.618 12.394 -2.862 1.00 0.00 C ATOM 528 CG LYS A 32 -1.929 13.774 -2.280 1.00 0.00 C ATOM 529 CD LYS A 32 -3.006 14.517 -3.086 1.00 0.00 C ATOM 530 CE LYS A 32 -3.352 15.891 -2.489 1.00 0.00 C ATOM 531 NZ LYS A 32 -4.015 15.787 -1.159 1.00 0.00 N ATOM 0 H LYS A 32 0.608 12.686 -1.706 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.816 11.479 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.868 12.481 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.512 11.972 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.262 13.664 -1.248 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.017 14.371 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.661 14.648 -4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.908 13.906 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.440 16.481 -2.391 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.006 16.427 -3.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.303 16.734 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.854 15.178 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.351 15.377 -0.471 1.00 0.00 H new ATOM 545 N ILE A 33 0.130 9.510 -2.597 1.00 0.00 N ATOM 546 CA ILE A 33 0.212 8.111 -3.039 1.00 0.00 C ATOM 547 C ILE A 33 -0.152 7.137 -1.908 1.00 0.00 C ATOM 548 O ILE A 33 -0.905 6.194 -2.148 1.00 0.00 O ATOM 549 CB ILE A 33 1.528 7.794 -3.766 1.00 0.00 C ATOM 550 CG1 ILE A 33 1.516 8.519 -5.130 1.00 0.00 C ATOM 551 CG2 ILE A 33 1.643 6.283 -4.027 1.00 0.00 C ATOM 552 CD1 ILE A 33 2.904 8.638 -5.751 1.00 0.00 C ATOM 0 H ILE A 33 1.017 10.014 -2.578 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.551 7.960 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 33 2.366 8.120 -3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.861 7.981 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.094 9.516 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.580 6.073 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.623 5.747 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.807 5.956 -4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.832 9.156 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.555 9.201 -5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.319 7.642 -5.908 1.00 0.00 H new ATOM 564 N LEU A 34 0.264 7.398 -0.662 1.00 0.00 N ATOM 565 CA LEU A 34 -0.129 6.554 0.477 1.00 0.00 C ATOM 566 C LEU A 34 -1.652 6.568 0.738 1.00 0.00 C ATOM 567 O LEU A 34 -2.205 5.561 1.167 1.00 0.00 O ATOM 568 CB LEU A 34 0.737 6.881 1.716 1.00 0.00 C ATOM 569 CG LEU A 34 0.197 7.944 2.691 1.00 0.00 C ATOM 570 CD1 LEU A 34 -0.599 7.315 3.838 1.00 0.00 C ATOM 571 CD2 LEU A 34 1.357 8.725 3.311 1.00 0.00 C ATOM 0 H LEU A 34 0.869 8.182 -0.416 1.00 0.00 H new ATOM 0 HA LEU A 34 0.078 5.515 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.891 5.957 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.716 7.209 1.367 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.456 8.598 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.962 8.099 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.446 6.762 3.433 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.044 6.635 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.965 9.474 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.008 8.040 3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.926 9.218 2.523 1.00 0.00 H new ATOM 583 N GLU A 35 -2.351 7.667 0.437 1.00 0.00 N ATOM 584 CA GLU A 35 -3.805 7.791 0.530 1.00 0.00 C ATOM 585 C GLU A 35 -4.550 6.966 -0.535 1.00 0.00 C ATOM 586 O GLU A 35 -5.562 6.330 -0.237 1.00 0.00 O ATOM 587 CB GLU A 35 -4.134 9.280 0.373 1.00 0.00 C ATOM 588 CG GLU A 35 -4.325 9.980 1.716 1.00 0.00 C ATOM 589 CD GLU A 35 -5.779 9.870 2.219 1.00 0.00 C ATOM 590 OE1 GLU A 35 -6.217 8.755 2.591 1.00 0.00 O ATOM 591 OE2 GLU A 35 -6.494 10.901 2.241 1.00 0.00 O ATOM 0 H GLU A 35 -1.902 8.523 0.111 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.136 7.398 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.331 9.770 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.041 9.388 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.652 9.542 2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.052 11.031 1.620 1.00 0.00 H new ATOM 598 N ASP A 36 -4.043 6.933 -1.770 1.00 0.00 N ATOM 599 CA ASP A 36 -4.578 6.094 -2.839 1.00 0.00 C ATOM 600 C ASP A 36 -4.342 4.598 -2.574 1.00 0.00 C ATOM 601 O ASP A 36 -5.248 3.784 -2.762 1.00 0.00 O ATOM 602 CB ASP A 36 -3.903 6.504 -4.152 1.00 0.00 C ATOM 603 CG ASP A 36 -4.419 7.814 -4.773 1.00 0.00 C ATOM 604 OD1 ASP A 36 -5.571 8.233 -4.506 1.00 0.00 O ATOM 605 OD2 ASP A 36 -3.667 8.394 -5.590 1.00 0.00 O ATOM 0 H ASP A 36 -3.241 7.495 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.657 6.241 -2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.832 6.601 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.035 5.700 -4.876 1.00 0.00 H new ATOM 610 N GLU A 37 -3.156 4.227 -2.076 1.00 0.00 N ATOM 611 CA GLU A 37 -2.851 2.849 -1.662 1.00 0.00 C ATOM 612 C GLU A 37 -3.642 2.398 -0.399 1.00 0.00 C ATOM 613 O GLU A 37 -3.553 1.238 0.001 1.00 0.00 O ATOM 614 CB GLU A 37 -1.335 2.641 -1.483 1.00 0.00 C ATOM 615 CG GLU A 37 -0.461 2.921 -2.722 1.00 0.00 C ATOM 616 CD GLU A 37 -0.577 1.966 -3.918 1.00 0.00 C ATOM 617 OE1 GLU A 37 -1.486 1.102 -4.020 1.00 0.00 O ATOM 618 OE2 GLU A 37 0.229 2.104 -4.875 1.00 0.00 O ATOM 0 H GLU A 37 -2.378 4.874 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.189 2.205 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.994 3.283 -0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.165 1.611 -1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.693 3.926 -3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.581 2.928 -2.401 1.00 0.00 H new ATOM 625 N GLU A 38 -4.440 3.275 0.230 1.00 0.00 N ATOM 626 CA GLU A 38 -5.217 2.991 1.454 1.00 0.00 C ATOM 627 C GLU A 38 -6.579 2.331 1.165 1.00 0.00 C ATOM 628 O GLU A 38 -6.949 1.352 1.814 1.00 0.00 O ATOM 629 CB GLU A 38 -5.411 4.305 2.230 1.00 0.00 C ATOM 630 CG GLU A 38 -5.479 4.158 3.759 1.00 0.00 C ATOM 631 CD GLU A 38 -6.898 3.886 4.294 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.801 4.724 4.052 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.101 2.874 5.005 1.00 0.00 O ATOM 0 H GLU A 38 -4.568 4.230 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.654 2.272 2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.591 4.979 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.330 4.780 1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.823 3.344 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.095 5.068 4.220 1.00 0.00 H new ATOM 640 N LYS A 39 -7.316 2.800 0.145 1.00 0.00 N ATOM 641 CA LYS A 39 -8.531 2.098 -0.340 1.00 0.00 C ATOM 642 C LYS A 39 -8.169 0.715 -0.900 1.00 0.00 C ATOM 643 O LYS A 39 -8.814 -0.294 -0.619 1.00 0.00 O ATOM 644 CB LYS A 39 -9.236 2.924 -1.430 1.00 0.00 C ATOM 645 CG LYS A 39 -10.224 3.993 -0.942 1.00 0.00 C ATOM 646 CD LYS A 39 -9.608 5.228 -0.264 1.00 0.00 C ATOM 647 CE LYS A 39 -9.422 5.005 1.241 1.00 0.00 C ATOM 648 NZ LYS A 39 -8.775 6.163 1.902 1.00 0.00 N ATOM 0 H LYS A 39 -7.099 3.658 -0.362 1.00 0.00 H new ATOM 0 HA LYS A 39 -9.207 1.975 0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.473 3.414 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.771 2.238 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.814 4.329 -1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.915 3.526 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.645 5.454 -0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.250 6.093 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.392 4.821 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.818 4.112 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.209 5.831 2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.156 6.650 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.505 6.822 2.240 1.00 0.00 H new ATOM 662 N HIS A 40 -7.052 0.698 -1.622 1.00 0.00 N ATOM 663 CA HIS A 40 -6.350 -0.432 -2.242 1.00 0.00 C ATOM 664 C HIS A 40 -5.962 -1.604 -1.329 1.00 0.00 C ATOM 665 O HIS A 40 -5.525 -2.619 -1.861 1.00 0.00 O ATOM 666 CB HIS A 40 -5.058 0.143 -2.831 1.00 0.00 C ATOM 667 CG HIS A 40 -5.089 0.549 -4.275 1.00 0.00 C ATOM 668 ND1 HIS A 40 -4.026 0.404 -5.184 1.00 0.00 N ATOM 669 CD2 HIS A 40 -6.094 1.267 -4.849 1.00 0.00 C ATOM 670 CE1 HIS A 40 -4.453 1.053 -6.293 1.00 0.00 C ATOM 671 NE2 HIS A 40 -5.679 1.568 -6.119 1.00 0.00 N ATOM 0 H HIS A 40 -6.559 1.571 -1.810 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.049 -0.864 -2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -4.775 1.014 -2.240 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -4.269 -0.598 -2.704 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.033 1.544 -4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.879 1.144 -7.203 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.211 2.093 -6.813 1.00 0.00 H new ATOM 679 N ILE A 41 -6.092 -1.493 -0.002 1.00 0.00 N ATOM 680 CA ILE A 41 -5.721 -2.530 0.978 1.00 0.00 C ATOM 681 C ILE A 41 -6.919 -2.936 1.859 1.00 0.00 C ATOM 682 O ILE A 41 -7.014 -4.096 2.260 1.00 0.00 O ATOM 683 CB ILE A 41 -4.466 -2.102 1.779 1.00 0.00 C ATOM 684 CG1 ILE A 41 -3.785 -3.304 2.477 1.00 0.00 C ATOM 685 CG2 ILE A 41 -4.722 -0.987 2.801 1.00 0.00 C ATOM 686 CD1 ILE A 41 -2.479 -3.687 1.781 1.00 0.00 C ATOM 0 H ILE A 41 -6.470 -0.654 0.437 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.444 -3.437 0.441 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.792 -1.693 1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.584 -3.055 3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.463 -4.158 2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.793 -0.747 3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.091 -0.100 2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.465 -1.321 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.027 -4.534 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.685 -3.960 0.746 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.793 -2.840 1.804 1.00 0.00 H new ATOM 698 N GLU A 42 -7.903 -2.047 2.065 1.00 0.00 N ATOM 699 CA GLU A 42 -9.228 -2.434 2.578 1.00 0.00 C ATOM 700 C GLU A 42 -9.939 -3.384 1.602 1.00 0.00 C ATOM 701 O GLU A 42 -10.288 -4.507 1.973 1.00 0.00 O ATOM 702 CB GLU A 42 -10.125 -1.204 2.806 1.00 0.00 C ATOM 703 CG GLU A 42 -9.738 -0.391 4.044 1.00 0.00 C ATOM 704 CD GLU A 42 -10.851 0.631 4.376 1.00 0.00 C ATOM 705 OE1 GLU A 42 -11.017 1.630 3.633 1.00 0.00 O ATOM 706 OE2 GLU A 42 -11.581 0.433 5.375 1.00 0.00 O ATOM 0 H GLU A 42 -7.805 -1.048 1.883 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.062 -2.939 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.076 -0.560 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.160 -1.531 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.580 -1.057 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.796 0.129 3.868 1.00 0.00 H new ATOM 713 N TRP A 43 -10.100 -2.962 0.339 1.00 0.00 N ATOM 714 CA TRP A 43 -10.732 -3.775 -0.709 1.00 0.00 C ATOM 715 C TRP A 43 -9.968 -5.079 -0.972 1.00 0.00 C ATOM 716 O TRP A 43 -10.575 -6.111 -1.253 1.00 0.00 O ATOM 717 CB TRP A 43 -10.832 -2.956 -2.005 1.00 0.00 C ATOM 718 CG TRP A 43 -11.628 -1.681 -1.961 1.00 0.00 C ATOM 719 CD1 TRP A 43 -12.717 -1.442 -1.192 1.00 0.00 C ATOM 720 CD2 TRP A 43 -11.434 -0.469 -2.757 1.00 0.00 C ATOM 721 NE1 TRP A 43 -13.206 -0.176 -1.458 1.00 0.00 N ATOM 722 CE2 TRP A 43 -12.477 0.454 -2.441 1.00 0.00 C ATOM 723 CE3 TRP A 43 -10.494 -0.060 -3.728 1.00 0.00 C ATOM 724 CZ2 TRP A 43 -12.604 1.696 -3.080 1.00 0.00 C ATOM 725 CZ3 TRP A 43 -10.612 1.183 -4.382 1.00 0.00 C ATOM 726 CH2 TRP A 43 -11.670 2.057 -4.066 1.00 0.00 C ATOM 0 H TRP A 43 -9.794 -2.044 0.015 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.728 -4.048 -0.361 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.820 -2.710 -2.326 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.264 -3.596 -2.775 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -13.139 -2.135 -0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -14.008 0.240 -0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.669 -0.712 -3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -13.409 2.366 -2.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.887 1.467 -5.130 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.763 3.002 -4.580 1.00 0.00 H new ATOM 737 N LEU A 44 -8.640 -5.050 -0.842 1.00 0.00 N ATOM 738 CA LEU A 44 -7.744 -6.195 -1.043 1.00 0.00 C ATOM 739 C LEU A 44 -8.117 -7.397 -0.162 1.00 0.00 C ATOM 740 O LEU A 44 -8.286 -8.519 -0.636 1.00 0.00 O ATOM 741 CB LEU A 44 -6.338 -5.692 -0.700 1.00 0.00 C ATOM 742 CG LEU A 44 -5.184 -6.311 -1.474 1.00 0.00 C ATOM 743 CD1 LEU A 44 -3.891 -5.657 -1.017 1.00 0.00 C ATOM 744 CD2 LEU A 44 -5.109 -7.825 -1.375 1.00 0.00 C ATOM 0 H LEU A 44 -8.139 -4.199 -0.585 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.815 -6.553 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.314 -4.614 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.165 -5.862 0.363 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.356 -6.118 -2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.052 -6.089 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.937 -4.585 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.755 -5.826 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.259 -8.186 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.986 -8.116 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.027 -8.261 -1.768 1.00 0.00 H new ATOM 756 N GLU A 45 -8.280 -7.135 1.132 1.00 0.00 N ATOM 757 CA GLU A 45 -8.724 -8.131 2.113 1.00 0.00 C ATOM 758 C GLU A 45 -10.157 -8.618 1.837 1.00 0.00 C ATOM 759 O GLU A 45 -10.424 -9.818 1.890 1.00 0.00 O ATOM 760 CB GLU A 45 -8.618 -7.545 3.527 1.00 0.00 C ATOM 761 CG GLU A 45 -8.517 -8.660 4.576 1.00 0.00 C ATOM 762 CD GLU A 45 -8.503 -8.090 6.008 1.00 0.00 C ATOM 763 OE1 GLU A 45 -7.437 -7.618 6.469 1.00 0.00 O ATOM 764 OE2 GLU A 45 -9.557 -8.129 6.688 1.00 0.00 O ATOM 0 H GLU A 45 -8.106 -6.215 1.537 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.071 -9.000 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.743 -6.899 3.592 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.489 -6.924 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.359 -9.344 4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.610 -9.240 4.405 1.00 0.00 H new ATOM 771 N THR A 46 -11.073 -7.710 1.476 1.00 0.00 N ATOM 772 CA THR A 46 -12.456 -8.056 1.074 1.00 0.00 C ATOM 773 C THR A 46 -12.493 -9.025 -0.117 1.00 0.00 C ATOM 774 O THR A 46 -13.310 -9.947 -0.149 1.00 0.00 O ATOM 775 CB THR A 46 -13.272 -6.797 0.734 1.00 0.00 C ATOM 776 OG1 THR A 46 -13.174 -5.833 1.762 1.00 0.00 O ATOM 777 CG2 THR A 46 -14.763 -7.076 0.536 1.00 0.00 C ATOM 0 H THR A 46 -10.882 -6.708 1.452 1.00 0.00 H new ATOM 0 HA THR A 46 -12.905 -8.555 1.933 1.00 0.00 H new ATOM 0 HB THR A 46 -12.844 -6.434 -0.201 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.311 -5.373 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 46 -15.279 -6.146 0.299 1.00 0.00 H new ATOM 0 HG22 THR A 46 -14.895 -7.783 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 46 -15.179 -7.499 1.451 1.00 0.00 H new ATOM 785 N ILE A 47 -11.574 -8.870 -1.075 1.00 0.00 N ATOM 786 CA ILE A 47 -11.434 -9.716 -2.274 1.00 0.00 C ATOM 787 C ILE A 47 -11.027 -11.177 -1.981 1.00 0.00 C ATOM 788 O ILE A 47 -11.170 -12.059 -2.830 1.00 0.00 O ATOM 789 CB ILE A 47 -10.527 -8.968 -3.291 1.00 0.00 C ATOM 790 CG1 ILE A 47 -11.269 -7.782 -3.956 1.00 0.00 C ATOM 791 CG2 ILE A 47 -9.873 -9.848 -4.362 1.00 0.00 C ATOM 792 CD1 ILE A 47 -12.378 -8.135 -4.953 1.00 0.00 C ATOM 0 H ILE A 47 -10.879 -8.125 -1.039 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.414 -9.858 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.706 -8.594 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -11.703 -7.168 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.532 -7.166 -4.471 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.263 -9.228 -5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.244 -10.598 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.647 -10.344 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.818 -7.219 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.958 -8.718 -5.773 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.148 -8.720 -4.449 1.00 0.00 H new ATOM 804 N ASN A 48 -10.623 -11.467 -0.746 1.00 0.00 N ATOM 805 CA ASN A 48 -10.383 -12.829 -0.240 1.00 0.00 C ATOM 806 C ASN A 48 -11.680 -13.636 0.028 1.00 0.00 C ATOM 807 O ASN A 48 -11.628 -14.858 0.199 1.00 0.00 O ATOM 808 CB ASN A 48 -9.494 -12.735 1.015 1.00 0.00 C ATOM 809 CG ASN A 48 -8.810 -14.039 1.410 1.00 0.00 C ATOM 810 OD1 ASN A 48 -8.601 -14.953 0.625 1.00 0.00 O ATOM 811 ND2 ASN A 48 -8.400 -14.154 2.654 1.00 0.00 N ATOM 0 H ASN A 48 -10.447 -10.746 -0.046 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.871 -13.393 -1.020 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.730 -11.976 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -10.104 -12.393 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.914 -14.999 2.955 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.568 -13.399 3.318 1.00 0.00 H new ATOM 818 N GLY A 49 -12.840 -12.966 0.046 1.00 0.00 N ATOM 819 CA GLY A 49 -14.175 -13.556 0.253 1.00 0.00 C ATOM 820 C GLY A 49 -14.770 -13.286 1.642 1.00 0.00 C ATOM 821 O GLY A 49 -16.001 -13.103 1.721 1.00 0.00 O ATOM 822 OXT GLY A 49 -14.011 -13.290 2.638 1.00 0.00 O ATOM 0 H GLY A 49 -12.878 -11.956 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.855 -13.165 -0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.112 -14.633 0.099 1.00 0.00 H new TER 826 GLY A 49 ATOM 827 N MET B 1 17.828 10.547 -3.679 1.00 0.00 N ATOM 828 CA MET B 1 18.435 9.613 -4.666 1.00 0.00 C ATOM 829 C MET B 1 17.890 8.193 -4.473 1.00 0.00 C ATOM 830 O MET B 1 16.902 7.826 -5.105 1.00 0.00 O ATOM 831 CB MET B 1 19.983 9.649 -4.650 1.00 0.00 C ATOM 832 CG MET B 1 20.569 10.923 -5.275 1.00 0.00 C ATOM 833 SD MET B 1 22.367 11.125 -5.081 1.00 0.00 S ATOM 834 CE MET B 1 22.996 9.687 -5.995 1.00 0.00 C ATOM 0 H1 MET B 1 18.158 11.515 -3.869 1.00 0.00 H new ATOM 0 H2 MET B 1 16.792 10.512 -3.760 1.00 0.00 H new ATOM 0 H3 MET B 1 18.110 10.268 -2.718 1.00 0.00 H new ATOM 0 HA MET B 1 18.142 9.955 -5.659 1.00 0.00 H new ATOM 0 HB2 MET B 1 20.330 9.565 -3.620 1.00 0.00 H new ATOM 0 HB3 MET B 1 20.365 8.781 -5.187 1.00 0.00 H new ATOM 0 HG2 MET B 1 20.332 10.929 -6.339 1.00 0.00 H new ATOM 0 HG3 MET B 1 20.073 11.787 -4.833 1.00 0.00 H new ATOM 0 HE1 MET B 1 24.084 9.730 -6.036 1.00 0.00 H new ATOM 0 HE2 MET B 1 22.688 8.772 -5.490 1.00 0.00 H new ATOM 0 HE3 MET B 1 22.594 9.696 -7.008 1.00 0.00 H new ATOM 846 N ASP B 2 18.501 7.382 -3.604 1.00 0.00 N ATOM 847 CA ASP B 2 18.233 5.948 -3.408 1.00 0.00 C ATOM 848 C ASP B 2 16.982 5.649 -2.544 1.00 0.00 C ATOM 849 O ASP B 2 17.064 5.023 -1.485 1.00 0.00 O ATOM 850 CB ASP B 2 19.516 5.252 -2.910 1.00 0.00 C ATOM 851 CG ASP B 2 20.037 5.752 -1.546 1.00 0.00 C ATOM 852 OD1 ASP B 2 20.233 6.982 -1.383 1.00 0.00 O ATOM 853 OD2 ASP B 2 20.320 4.913 -0.656 1.00 0.00 O ATOM 0 H ASP B 2 19.235 7.723 -2.984 1.00 0.00 H new ATOM 0 HA ASP B 2 17.966 5.521 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP B 2 19.327 4.181 -2.840 1.00 0.00 H new ATOM 0 HB3 ASP B 2 20.300 5.390 -3.655 1.00 0.00 H new ATOM 858 N TYR B 3 15.812 6.085 -3.024 1.00 0.00 N ATOM 859 CA TYR B 3 14.491 5.745 -2.466 1.00 0.00 C ATOM 860 C TYR B 3 13.574 5.209 -3.577 1.00 0.00 C ATOM 861 O TYR B 3 13.288 4.012 -3.615 1.00 0.00 O ATOM 862 CB TYR B 3 13.879 6.966 -1.737 1.00 0.00 C ATOM 863 CG TYR B 3 13.621 6.781 -0.251 1.00 0.00 C ATOM 864 CD1 TYR B 3 12.760 5.758 0.201 1.00 0.00 C ATOM 865 CD2 TYR B 3 14.197 7.670 0.679 1.00 0.00 C ATOM 866 CE1 TYR B 3 12.489 5.613 1.578 1.00 0.00 C ATOM 867 CE2 TYR B 3 13.920 7.534 2.054 1.00 0.00 C ATOM 868 CZ TYR B 3 13.069 6.505 2.509 1.00 0.00 C ATOM 869 OH TYR B 3 12.823 6.385 3.841 1.00 0.00 O ATOM 0 H TYR B 3 15.752 6.702 -3.834 1.00 0.00 H new ATOM 0 HA TYR B 3 14.604 4.955 -1.723 1.00 0.00 H new ATOM 0 HB2 TYR B 3 14.547 7.817 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR B 3 12.937 7.222 -2.222 1.00 0.00 H new ATOM 0 HD1 TYR B 3 12.307 5.083 -0.510 1.00 0.00 H new ATOM 0 HD2 TYR B 3 14.852 8.457 0.337 1.00 0.00 H new ATOM 0 HE1 TYR B 3 11.839 4.821 1.921 1.00 0.00 H new ATOM 0 HE2 TYR B 3 14.361 8.220 2.762 1.00 0.00 H new ATOM 0 HH TYR B 3 12.626 5.449 4.054 1.00 0.00 H new ATOM 879 N LEU B 4 13.184 6.066 -4.530 1.00 0.00 N ATOM 880 CA LEU B 4 12.318 5.799 -5.685 1.00 0.00 C ATOM 881 C LEU B 4 12.608 4.496 -6.440 1.00 0.00 C ATOM 882 O LEU B 4 11.666 3.832 -6.856 1.00 0.00 O ATOM 883 CB LEU B 4 12.362 7.059 -6.564 1.00 0.00 C ATOM 884 CG LEU B 4 13.737 7.352 -7.189 1.00 0.00 C ATOM 885 CD1 LEU B 4 13.813 6.892 -8.645 1.00 0.00 C ATOM 886 CD2 LEU B 4 14.048 8.845 -7.116 1.00 0.00 C ATOM 0 H LEU B 4 13.490 7.039 -4.511 1.00 0.00 H new ATOM 0 HA LEU B 4 11.303 5.608 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU B 4 11.628 6.955 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU B 4 12.060 7.917 -5.963 1.00 0.00 H new ATOM 0 HG LEU B 4 14.475 6.791 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU B 4 14.801 7.118 -9.047 1.00 0.00 H new ATOM 0 HD12 LEU B 4 13.638 5.817 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU B 4 13.055 7.412 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU B 4 15.024 9.036 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU B 4 13.285 9.403 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU B 4 14.057 9.164 -6.074 1.00 0.00 H new ATOM 898 N ARG B 5 13.865 4.064 -6.580 1.00 0.00 N ATOM 899 CA ARG B 5 14.180 2.836 -7.325 1.00 0.00 C ATOM 900 C ARG B 5 13.653 1.564 -6.649 1.00 0.00 C ATOM 901 O ARG B 5 13.171 0.677 -7.351 1.00 0.00 O ATOM 902 CB ARG B 5 15.685 2.789 -7.633 1.00 0.00 C ATOM 903 CG ARG B 5 15.964 1.813 -8.785 1.00 0.00 C ATOM 904 CD ARG B 5 17.376 1.967 -9.365 1.00 0.00 C ATOM 905 NE ARG B 5 18.425 1.509 -8.430 1.00 0.00 N ATOM 906 CZ ARG B 5 19.726 1.713 -8.556 1.00 0.00 C ATOM 907 NH1 ARG B 5 20.228 2.407 -9.540 1.00 0.00 N ATOM 908 NH2 ARG B 5 20.559 1.213 -7.689 1.00 0.00 N ATOM 0 H ARG B 5 14.678 4.541 -6.191 1.00 0.00 H new ATOM 0 HA ARG B 5 13.645 2.867 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG B 5 16.040 3.785 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG B 5 16.235 2.480 -6.744 1.00 0.00 H new ATOM 0 HG2 ARG B 5 15.831 0.791 -8.430 1.00 0.00 H new ATOM 0 HG3 ARG B 5 15.232 1.973 -9.576 1.00 0.00 H new ATOM 0 HD2 ARG B 5 17.448 1.400 -10.293 1.00 0.00 H new ATOM 0 HD3 ARG B 5 17.550 3.013 -9.617 1.00 0.00 H new ATOM 0 HE ARG B 5 18.117 0.986 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG B 5 19.612 2.813 -10.244 1.00 0.00 H new ATOM 0 HH12 ARG B 5 21.237 2.544 -9.605 1.00 0.00 H new ATOM 0 HH21 ARG B 5 20.210 0.660 -6.906 1.00 0.00 H new ATOM 0 HH22 ARG B 5 21.561 1.374 -7.793 1.00 0.00 H new ATOM 922 N GLU B 6 13.638 1.487 -5.316 1.00 0.00 N ATOM 923 CA GLU B 6 12.959 0.432 -4.576 1.00 0.00 C ATOM 924 C GLU B 6 11.434 0.488 -4.747 1.00 0.00 C ATOM 925 O GLU B 6 10.796 -0.560 -4.849 1.00 0.00 O ATOM 926 CB GLU B 6 13.318 0.574 -3.090 1.00 0.00 C ATOM 927 CG GLU B 6 14.502 -0.308 -2.681 1.00 0.00 C ATOM 928 CD GLU B 6 14.483 -0.585 -1.164 1.00 0.00 C ATOM 929 OE1 GLU B 6 15.064 0.210 -0.386 1.00 0.00 O ATOM 930 OE2 GLU B 6 13.893 -1.609 -0.741 1.00 0.00 O ATOM 0 H GLU B 6 14.105 2.167 -4.716 1.00 0.00 H new ATOM 0 HA GLU B 6 13.289 -0.530 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU B 6 13.555 1.616 -2.876 1.00 0.00 H new ATOM 0 HB3 GLU B 6 12.450 0.314 -2.484 1.00 0.00 H new ATOM 0 HG2 GLU B 6 14.465 -1.250 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU B 6 15.437 0.182 -2.954 1.00 0.00 H new ATOM 937 N LEU B 7 10.847 1.690 -4.814 1.00 0.00 N ATOM 938 CA LEU B 7 9.406 1.852 -5.039 1.00 0.00 C ATOM 939 C LEU B 7 8.995 1.389 -6.437 1.00 0.00 C ATOM 940 O LEU B 7 8.045 0.627 -6.594 1.00 0.00 O ATOM 941 CB LEU B 7 8.969 3.303 -4.806 1.00 0.00 C ATOM 942 CG LEU B 7 9.060 3.715 -3.329 1.00 0.00 C ATOM 943 CD1 LEU B 7 9.956 4.924 -3.092 1.00 0.00 C ATOM 944 CD2 LEU B 7 7.694 4.115 -2.801 1.00 0.00 C ATOM 0 H LEU B 7 11.353 2.570 -4.715 1.00 0.00 H new ATOM 0 HA LEU B 7 8.896 1.217 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU B 7 9.593 3.967 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU B 7 7.944 3.430 -5.153 1.00 0.00 H new ATOM 0 HG LEU B 7 9.470 2.842 -2.822 1.00 0.00 H new ATOM 0 HD11 LEU B 7 9.975 5.160 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU B 7 10.967 4.700 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU B 7 9.568 5.779 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU B 7 7.779 4.404 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU B 7 7.313 4.957 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU B 7 7.008 3.273 -2.891 1.00 0.00 H new ATOM 956 N TYR B 8 9.757 1.794 -7.449 1.00 0.00 N ATOM 957 CA TYR B 8 9.665 1.313 -8.829 1.00 0.00 C ATOM 958 C TYR B 8 9.724 -0.220 -8.908 1.00 0.00 C ATOM 959 O TYR B 8 8.856 -0.846 -9.520 1.00 0.00 O ATOM 960 CB TYR B 8 10.789 1.979 -9.640 1.00 0.00 C ATOM 961 CG TYR B 8 10.376 2.523 -11.000 1.00 0.00 C ATOM 962 CD1 TYR B 8 9.633 1.735 -11.903 1.00 0.00 C ATOM 963 CD2 TYR B 8 10.705 3.851 -11.343 1.00 0.00 C ATOM 964 CE1 TYR B 8 9.201 2.282 -13.127 1.00 0.00 C ATOM 965 CE2 TYR B 8 10.273 4.401 -12.565 1.00 0.00 C ATOM 966 CZ TYR B 8 9.513 3.618 -13.461 1.00 0.00 C ATOM 967 OH TYR B 8 9.086 4.137 -14.644 1.00 0.00 O ATOM 0 H TYR B 8 10.487 2.496 -7.327 1.00 0.00 H new ATOM 0 HA TYR B 8 8.698 1.588 -9.251 1.00 0.00 H new ATOM 0 HB2 TYR B 8 11.204 2.797 -9.051 1.00 0.00 H new ATOM 0 HB3 TYR B 8 11.589 1.253 -9.785 1.00 0.00 H new ATOM 0 HD1 TYR B 8 9.395 0.711 -11.656 1.00 0.00 H new ATOM 0 HD2 TYR B 8 11.293 4.450 -10.663 1.00 0.00 H new ATOM 0 HE1 TYR B 8 8.628 1.676 -13.814 1.00 0.00 H new ATOM 0 HE2 TYR B 8 10.523 5.421 -12.817 1.00 0.00 H new ATOM 0 HH TYR B 8 9.384 5.068 -14.719 1.00 0.00 H new ATOM 977 N LYS B 9 10.686 -0.826 -8.198 1.00 0.00 N ATOM 978 CA LYS B 9 10.821 -2.290 -8.010 1.00 0.00 C ATOM 979 C LYS B 9 9.701 -2.970 -7.200 1.00 0.00 C ATOM 980 O LYS B 9 9.725 -4.189 -7.033 1.00 0.00 O ATOM 981 CB LYS B 9 12.221 -2.630 -7.444 1.00 0.00 C ATOM 982 CG LYS B 9 13.218 -3.075 -8.526 1.00 0.00 C ATOM 983 CD LYS B 9 13.606 -1.972 -9.524 1.00 0.00 C ATOM 984 CE LYS B 9 14.469 -2.507 -10.679 1.00 0.00 C ATOM 985 NZ LYS B 9 15.794 -3.012 -10.226 1.00 0.00 N ATOM 0 H LYS B 9 11.418 -0.300 -7.721 1.00 0.00 H new ATOM 0 HA LYS B 9 10.708 -2.716 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.620 -1.756 -6.928 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.123 -3.421 -6.701 1.00 0.00 H new ATOM 0 HG2 LYS B 9 14.122 -3.443 -8.041 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.788 -3.912 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS B 9 12.702 -1.517 -9.929 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.151 -1.186 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS B 9 13.933 -3.310 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.619 -1.714 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.332 -3.360 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 16.321 -2.241 -9.768 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.656 -3.788 -9.548 1.00 0.00 H new ATOM 999 N LEU B 10 8.695 -2.220 -6.762 1.00 0.00 N ATOM 1000 CA LEU B 10 7.479 -2.692 -6.096 1.00 0.00 C ATOM 1001 C LEU B 10 6.248 -2.426 -6.986 1.00 0.00 C ATOM 1002 O LEU B 10 5.426 -3.318 -7.181 1.00 0.00 O ATOM 1003 CB LEU B 10 7.467 -2.066 -4.676 1.00 0.00 C ATOM 1004 CG LEU B 10 6.155 -1.392 -4.264 1.00 0.00 C ATOM 1005 CD1 LEU B 10 5.112 -2.393 -3.779 1.00 0.00 C ATOM 1006 CD2 LEU B 10 6.376 -0.317 -3.205 1.00 0.00 C ATOM 0 H LEU B 10 8.704 -1.205 -6.867 1.00 0.00 H new ATOM 0 HA LEU B 10 7.450 -3.773 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU B 10 7.697 -2.847 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU B 10 8.268 -1.329 -4.616 1.00 0.00 H new ATOM 0 HG LEU B 10 5.770 -0.917 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.201 -1.863 -3.499 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.889 -3.101 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU B 10 5.499 -2.931 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU B 10 5.420 0.136 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU B 10 6.822 -0.767 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU B 10 7.044 0.449 -3.598 1.00 0.00 H new ATOM 1018 N GLU B 11 6.130 -1.231 -7.564 1.00 0.00 N ATOM 1019 CA GLU B 11 4.933 -0.792 -8.284 1.00 0.00 C ATOM 1020 C GLU B 11 4.823 -1.467 -9.654 1.00 0.00 C ATOM 1021 O GLU B 11 3.770 -2.014 -9.978 1.00 0.00 O ATOM 1022 CB GLU B 11 4.965 0.736 -8.438 1.00 0.00 C ATOM 1023 CG GLU B 11 4.749 1.493 -7.120 1.00 0.00 C ATOM 1024 CD GLU B 11 3.266 1.640 -6.769 1.00 0.00 C ATOM 1025 OE1 GLU B 11 2.526 2.541 -7.196 1.00 0.00 O ATOM 1026 OE2 GLU B 11 2.609 0.972 -5.951 1.00 0.00 O ATOM 0 H GLU B 11 6.872 -0.531 -7.546 1.00 0.00 H new ATOM 0 HA GLU B 11 4.055 -1.083 -7.708 1.00 0.00 H new ATOM 0 HB2 GLU B 11 5.925 1.030 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU B 11 4.196 1.037 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.260 0.967 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.202 2.482 -7.193 1.00 0.00 H new ATOM 1033 N GLN B 12 5.909 -1.517 -10.435 1.00 0.00 N ATOM 1034 CA GLN B 12 5.941 -2.265 -11.690 1.00 0.00 C ATOM 1035 C GLN B 12 5.853 -3.786 -11.465 1.00 0.00 C ATOM 1036 O GLN B 12 5.240 -4.495 -12.264 1.00 0.00 O ATOM 1037 CB GLN B 12 7.201 -1.866 -12.472 1.00 0.00 C ATOM 1038 CG GLN B 12 6.837 -1.025 -13.699 1.00 0.00 C ATOM 1039 CD GLN B 12 6.121 -1.822 -14.790 1.00 0.00 C ATOM 1040 OE1 GLN B 12 6.547 -2.895 -15.199 1.00 0.00 O ATOM 1041 NE2 GLN B 12 5.006 -1.349 -15.303 1.00 0.00 N ATOM 0 H GLN B 12 6.784 -1.042 -10.213 1.00 0.00 H new ATOM 0 HA GLN B 12 5.060 -2.008 -12.279 1.00 0.00 H new ATOM 0 HB2 GLN B 12 7.872 -1.301 -11.825 1.00 0.00 H new ATOM 0 HB3 GLN B 12 7.738 -2.761 -12.786 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.200 -0.197 -13.387 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.746 -0.589 -14.114 1.00 0.00 H new ATOM 0 HE21 GLN B 12 4.633 -0.457 -14.977 1.00 0.00 H new ATOM 0 HE22 GLN B 12 4.515 -1.874 -16.026 1.00 0.00 H new ATOM 1050 N GLN B 13 6.396 -4.283 -10.347 1.00 0.00 N ATOM 1051 CA GLN B 13 6.253 -5.672 -9.904 1.00 0.00 C ATOM 1052 C GLN B 13 4.782 -6.037 -9.634 1.00 0.00 C ATOM 1053 O GLN B 13 4.278 -7.035 -10.151 1.00 0.00 O ATOM 1054 CB GLN B 13 7.149 -5.895 -8.683 1.00 0.00 C ATOM 1055 CG GLN B 13 8.452 -6.646 -9.008 1.00 0.00 C ATOM 1056 CD GLN B 13 8.289 -8.147 -9.264 1.00 0.00 C ATOM 1057 OE1 GLN B 13 7.246 -8.650 -9.661 1.00 0.00 O ATOM 1058 NE2 GLN B 13 9.323 -8.933 -9.045 1.00 0.00 N ATOM 0 H GLN B 13 6.959 -3.717 -9.712 1.00 0.00 H new ATOM 0 HA GLN B 13 6.576 -6.343 -10.700 1.00 0.00 H new ATOM 0 HB2 GLN B 13 7.396 -4.929 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN B 13 6.593 -6.456 -7.932 1.00 0.00 H new ATOM 0 HG2 GLN B 13 8.906 -6.190 -9.888 1.00 0.00 H new ATOM 0 HG3 GLN B 13 9.149 -6.508 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN B 13 10.203 -8.538 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN B 13 9.244 -9.937 -9.206 1.00 0.00 H new ATOM 1067 N ALA B 14 4.057 -5.190 -8.896 1.00 0.00 N ATOM 1068 CA ALA B 14 2.622 -5.343 -8.669 1.00 0.00 C ATOM 1069 C ALA B 14 1.796 -5.190 -9.964 1.00 0.00 C ATOM 1070 O ALA B 14 0.859 -5.956 -10.183 1.00 0.00 O ATOM 1071 CB ALA B 14 2.191 -4.341 -7.591 1.00 0.00 C ATOM 0 H ALA B 14 4.457 -4.372 -8.436 1.00 0.00 H new ATOM 0 HA ALA B 14 2.425 -6.358 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.121 -4.441 -7.408 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.737 -4.541 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.408 -3.328 -7.928 1.00 0.00 H new ATOM 1077 N MET B 15 2.153 -4.256 -10.856 1.00 0.00 N ATOM 1078 CA MET B 15 1.450 -4.037 -12.132 1.00 0.00 C ATOM 1079 C MET B 15 1.403 -5.278 -13.031 1.00 0.00 C ATOM 1080 O MET B 15 0.357 -5.533 -13.630 1.00 0.00 O ATOM 1081 CB MET B 15 2.070 -2.858 -12.903 1.00 0.00 C ATOM 1082 CG MET B 15 1.757 -1.488 -12.282 1.00 0.00 C ATOM 1083 SD MET B 15 0.614 -0.444 -13.234 1.00 0.00 S ATOM 1084 CE MET B 15 -0.898 -1.447 -13.181 1.00 0.00 C ATOM 0 H MET B 15 2.942 -3.626 -10.714 1.00 0.00 H new ATOM 0 HA MET B 15 0.420 -3.804 -11.864 1.00 0.00 H new ATOM 0 HB2 MET B 15 3.151 -2.990 -12.946 1.00 0.00 H new ATOM 0 HB3 MET B 15 1.706 -2.874 -13.930 1.00 0.00 H new ATOM 0 HG2 MET B 15 1.337 -1.646 -11.289 1.00 0.00 H new ATOM 0 HG3 MET B 15 2.693 -0.946 -12.150 1.00 0.00 H new ATOM 0 HE1 MET B 15 -1.707 -0.912 -13.679 1.00 0.00 H new ATOM 0 HE2 MET B 15 -0.723 -2.395 -13.689 1.00 0.00 H new ATOM 0 HE3 MET B 15 -1.173 -1.637 -12.143 1.00 0.00 H new ATOM 1094 N LYS B 16 2.472 -6.091 -13.080 1.00 0.00 N ATOM 1095 CA LYS B 16 2.445 -7.409 -13.744 1.00 0.00 C ATOM 1096 C LYS B 16 1.329 -8.303 -13.193 1.00 0.00 C ATOM 1097 O LYS B 16 0.558 -8.883 -13.955 1.00 0.00 O ATOM 1098 CB LYS B 16 3.797 -8.137 -13.590 1.00 0.00 C ATOM 1099 CG LYS B 16 4.784 -7.927 -14.751 1.00 0.00 C ATOM 1100 CD LYS B 16 5.582 -6.619 -14.676 1.00 0.00 C ATOM 1101 CE LYS B 16 6.569 -6.571 -15.849 1.00 0.00 C ATOM 1102 NZ LYS B 16 7.548 -5.464 -15.706 1.00 0.00 N ATOM 0 H LYS B 16 3.374 -5.857 -12.664 1.00 0.00 H new ATOM 0 HA LYS B 16 2.252 -7.221 -14.800 1.00 0.00 H new ATOM 0 HB2 LYS B 16 4.269 -7.803 -12.666 1.00 0.00 H new ATOM 0 HB3 LYS B 16 3.607 -9.205 -13.483 1.00 0.00 H new ATOM 0 HG2 LYS B 16 5.482 -8.764 -14.774 1.00 0.00 H new ATOM 0 HG3 LYS B 16 4.231 -7.948 -15.690 1.00 0.00 H new ATOM 0 HD2 LYS B 16 4.908 -5.763 -14.715 1.00 0.00 H new ATOM 0 HD3 LYS B 16 6.119 -6.559 -13.729 1.00 0.00 H new ATOM 0 HE2 LYS B 16 7.101 -7.520 -15.914 1.00 0.00 H new ATOM 0 HE3 LYS B 16 6.018 -6.450 -16.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 8.085 -5.359 -16.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 7.043 -4.578 -15.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 8.203 -5.678 -14.927 1.00 0.00 H new ATOM 1116 N LEU B 17 1.225 -8.405 -11.869 1.00 0.00 N ATOM 1117 CA LEU B 17 0.310 -9.302 -11.176 1.00 0.00 C ATOM 1118 C LEU B 17 -1.144 -8.863 -11.326 1.00 0.00 C ATOM 1119 O LEU B 17 -2.023 -9.696 -11.549 1.00 0.00 O ATOM 1120 CB LEU B 17 0.697 -9.338 -9.696 1.00 0.00 C ATOM 1121 CG LEU B 17 2.114 -9.872 -9.490 1.00 0.00 C ATOM 1122 CD1 LEU B 17 2.548 -9.666 -8.042 1.00 0.00 C ATOM 1123 CD2 LEU B 17 2.250 -11.352 -9.854 1.00 0.00 C ATOM 0 H LEU B 17 1.794 -7.847 -11.232 1.00 0.00 H new ATOM 0 HA LEU B 17 0.391 -10.294 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU B 17 0.623 -8.335 -9.277 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.010 -9.964 -9.151 1.00 0.00 H new ATOM 0 HG LEU B 17 2.760 -9.309 -10.163 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.559 -10.050 -7.907 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.529 -8.602 -7.804 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.866 -10.198 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.278 -11.675 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.578 -11.943 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.991 -11.494 -10.903 1.00 0.00 H new ATOM 1135 N TYR B 18 -1.381 -7.552 -11.256 1.00 0.00 N ATOM 1136 CA TYR B 18 -2.708 -6.956 -11.358 1.00 0.00 C ATOM 1137 C TYR B 18 -3.411 -7.241 -12.703 1.00 0.00 C ATOM 1138 O TYR B 18 -4.637 -7.372 -12.727 1.00 0.00 O ATOM 1139 CB TYR B 18 -2.581 -5.448 -11.111 1.00 0.00 C ATOM 1140 CG TYR B 18 -2.520 -4.983 -9.664 1.00 0.00 C ATOM 1141 CD1 TYR B 18 -3.542 -5.339 -8.760 1.00 0.00 C ATOM 1142 CD2 TYR B 18 -1.501 -4.103 -9.243 1.00 0.00 C ATOM 1143 CE1 TYR B 18 -3.539 -4.830 -7.447 1.00 0.00 C ATOM 1144 CE2 TYR B 18 -1.491 -3.602 -7.928 1.00 0.00 C ATOM 1145 CZ TYR B 18 -2.517 -3.953 -7.030 1.00 0.00 C ATOM 1146 OH TYR B 18 -2.522 -3.419 -5.780 1.00 0.00 O ATOM 0 H TYR B 18 -0.639 -6.864 -11.124 1.00 0.00 H new ATOM 0 HA TYR B 18 -3.343 -7.417 -10.602 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -1.681 -5.098 -11.617 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -3.428 -4.955 -11.589 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -4.331 -6.005 -9.076 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.724 -3.812 -9.934 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -4.321 -5.112 -6.758 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -0.695 -2.947 -7.607 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.956 -4.041 -5.160 1.00 0.00 H new ATOM 1156 N ARG B 19 -2.663 -7.380 -13.814 1.00 0.00 N ATOM 1157 CA ARG B 19 -3.199 -7.811 -15.123 1.00 0.00 C ATOM 1158 C ARG B 19 -3.246 -9.334 -15.293 1.00 0.00 C ATOM 1159 O ARG B 19 -4.126 -9.834 -15.990 1.00 0.00 O ATOM 1160 CB ARG B 19 -2.439 -7.141 -16.288 1.00 0.00 C ATOM 1161 CG ARG B 19 -0.938 -7.477 -16.364 1.00 0.00 C ATOM 1162 CD ARG B 19 -0.268 -6.976 -17.648 1.00 0.00 C ATOM 1163 NE ARG B 19 -0.593 -7.837 -18.805 1.00 0.00 N ATOM 1164 CZ ARG B 19 0.035 -7.870 -19.968 1.00 0.00 C ATOM 1165 NH1 ARG B 19 1.013 -7.059 -20.256 1.00 0.00 N ATOM 1166 NH2 ARG B 19 -0.311 -8.737 -20.876 1.00 0.00 N ATOM 0 H ARG B 19 -1.660 -7.195 -13.830 1.00 0.00 H new ATOM 0 HA ARG B 19 -4.235 -7.474 -15.148 1.00 0.00 H new ATOM 0 HB2 ARG B 19 -2.910 -7.435 -17.226 1.00 0.00 H new ATOM 0 HB3 ARG B 19 -2.550 -6.060 -16.201 1.00 0.00 H new ATOM 0 HG2 ARG B 19 -0.431 -7.040 -15.504 1.00 0.00 H new ATOM 0 HG3 ARG B 19 -0.811 -8.557 -16.294 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.590 -5.955 -17.852 1.00 0.00 H new ATOM 0 HD3 ARG B 19 0.813 -6.947 -17.508 1.00 0.00 H new ATOM 0 HE ARG B 19 -1.384 -8.472 -18.695 1.00 0.00 H new ATOM 0 HH11 ARG B 19 1.320 -6.367 -19.572 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.472 -7.116 -21.165 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -1.069 -9.394 -20.691 1.00 0.00 H new ATOM 0 HH22 ARG B 19 0.176 -8.759 -21.772 1.00 0.00 H new ATOM 1180 N GLU B 20 -2.330 -10.075 -14.665 1.00 0.00 N ATOM 1181 CA GLU B 20 -2.257 -11.543 -14.780 1.00 0.00 C ATOM 1182 C GLU B 20 -3.435 -12.219 -14.065 1.00 0.00 C ATOM 1183 O GLU B 20 -4.213 -12.971 -14.653 1.00 0.00 O ATOM 1184 CB GLU B 20 -0.933 -12.034 -14.165 1.00 0.00 C ATOM 1185 CG GLU B 20 -0.502 -13.423 -14.651 1.00 0.00 C ATOM 1186 CD GLU B 20 0.031 -13.393 -16.099 1.00 0.00 C ATOM 1187 OE1 GLU B 20 -0.773 -13.531 -17.052 1.00 0.00 O ATOM 1188 OE2 GLU B 20 1.263 -13.245 -16.294 1.00 0.00 O ATOM 0 H GLU B 20 -1.613 -9.677 -14.059 1.00 0.00 H new ATOM 0 HA GLU B 20 -2.305 -11.808 -15.836 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -0.146 -11.317 -14.400 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -1.033 -12.054 -13.080 1.00 0.00 H new ATOM 0 HG2 GLU B 20 0.271 -13.814 -13.989 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -1.349 -14.106 -14.591 1.00 0.00 H new ATOM 1195 N ALA B 21 -3.595 -11.877 -12.789 1.00 0.00 N ATOM 1196 CA ALA B 21 -4.658 -12.334 -11.894 1.00 0.00 C ATOM 1197 C ALA B 21 -5.985 -11.565 -12.094 1.00 0.00 C ATOM 1198 O ALA B 21 -6.663 -11.216 -11.130 1.00 0.00 O ATOM 1199 CB ALA B 21 -4.119 -12.248 -10.465 1.00 0.00 C ATOM 0 H ALA B 21 -2.950 -11.237 -12.324 1.00 0.00 H new ATOM 0 HA ALA B 21 -4.922 -13.366 -12.124 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -4.886 -12.582 -9.766 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -3.239 -12.884 -10.369 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -3.847 -11.217 -10.240 1.00 0.00 H new ATOM 1205 N SER B 22 -6.362 -11.290 -13.344 1.00 0.00 N ATOM 1206 CA SER B 22 -7.665 -10.690 -13.675 1.00 0.00 C ATOM 1207 C SER B 22 -8.716 -11.769 -13.938 1.00 0.00 C ATOM 1208 O SER B 22 -9.741 -11.833 -13.256 1.00 0.00 O ATOM 1209 CB SER B 22 -7.507 -9.788 -14.901 1.00 0.00 C ATOM 1210 OG SER B 22 -8.643 -8.953 -15.052 1.00 0.00 O ATOM 0 H SER B 22 -5.776 -11.475 -14.158 1.00 0.00 H new ATOM 0 HA SER B 22 -8.006 -10.096 -12.827 1.00 0.00 H new ATOM 0 HB2 SER B 22 -6.610 -9.177 -14.797 1.00 0.00 H new ATOM 0 HB3 SER B 22 -7.375 -10.398 -15.794 1.00 0.00 H new ATOM 0 HG SER B 22 -8.526 -8.381 -15.839 1.00 0.00 H new ATOM 1216 N GLU B 23 -8.415 -12.687 -14.860 1.00 0.00 N ATOM 1217 CA GLU B 23 -9.295 -13.813 -15.228 1.00 0.00 C ATOM 1218 C GLU B 23 -9.572 -14.795 -14.071 1.00 0.00 C ATOM 1219 O GLU B 23 -10.650 -15.392 -14.010 1.00 0.00 O ATOM 1220 CB GLU B 23 -8.730 -14.546 -16.460 1.00 0.00 C ATOM 1221 CG GLU B 23 -7.383 -15.250 -16.229 1.00 0.00 C ATOM 1222 CD GLU B 23 -6.882 -15.917 -17.526 1.00 0.00 C ATOM 1223 OE1 GLU B 23 -6.166 -15.257 -18.318 1.00 0.00 O ATOM 1224 OE2 GLU B 23 -7.201 -17.108 -17.762 1.00 0.00 O ATOM 0 H GLU B 23 -7.540 -12.674 -15.384 1.00 0.00 H new ATOM 0 HA GLU B 23 -10.265 -13.381 -15.475 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -9.459 -15.286 -16.791 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.614 -13.827 -17.271 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -6.646 -14.528 -15.878 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.490 -16.001 -15.447 1.00 0.00 H new ATOM 1231 N ARG B 24 -8.623 -14.943 -13.134 1.00 0.00 N ATOM 1232 CA ARG B 24 -8.762 -15.780 -11.927 1.00 0.00 C ATOM 1233 C ARG B 24 -9.576 -15.109 -10.813 1.00 0.00 C ATOM 1234 O ARG B 24 -10.223 -15.812 -10.035 1.00 0.00 O ATOM 1235 CB ARG B 24 -7.365 -16.187 -11.403 1.00 0.00 C ATOM 1236 CG ARG B 24 -7.080 -17.699 -11.447 1.00 0.00 C ATOM 1237 CD ARG B 24 -7.972 -18.546 -10.521 1.00 0.00 C ATOM 1238 NE ARG B 24 -9.139 -19.127 -11.220 1.00 0.00 N ATOM 1239 CZ ARG B 24 -10.086 -19.874 -10.677 1.00 0.00 C ATOM 1240 NH1 ARG B 24 -10.113 -20.146 -9.403 1.00 0.00 N ATOM 1241 NH2 ARG B 24 -11.031 -20.381 -11.417 1.00 0.00 N ATOM 0 H ARG B 24 -7.718 -14.476 -13.193 1.00 0.00 H new ATOM 0 HA ARG B 24 -9.321 -16.668 -12.223 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -6.606 -15.670 -11.991 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.262 -15.841 -10.375 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -7.206 -18.050 -12.471 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -6.037 -17.867 -11.178 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -7.377 -19.350 -10.088 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -8.321 -17.927 -9.695 1.00 0.00 H new ATOM 0 HE ARG B 24 -9.221 -18.933 -12.218 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -9.387 -19.779 -8.788 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -10.860 -20.726 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -11.043 -20.203 -12.421 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -11.758 -20.956 -10.992 1.00 0.00 H new ATOM 1255 N VAL B 25 -9.547 -13.775 -10.727 1.00 0.00 N ATOM 1256 CA VAL B 25 -10.199 -13.013 -9.640 1.00 0.00 C ATOM 1257 C VAL B 25 -11.627 -12.582 -10.001 1.00 0.00 C ATOM 1258 O VAL B 25 -12.526 -12.698 -9.167 1.00 0.00 O ATOM 1259 CB VAL B 25 -9.330 -11.811 -9.241 1.00 0.00 C ATOM 1260 CG1 VAL B 25 -9.993 -10.899 -8.206 1.00 0.00 C ATOM 1261 CG2 VAL B 25 -8.008 -12.294 -8.626 1.00 0.00 C ATOM 0 H VAL B 25 -9.070 -13.185 -11.409 1.00 0.00 H new ATOM 0 HA VAL B 25 -10.291 -13.676 -8.780 1.00 0.00 H new ATOM 0 HB VAL B 25 -9.174 -11.247 -10.161 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -9.325 -10.071 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -10.927 -10.508 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -10.201 -11.468 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.400 -11.433 -8.347 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -8.217 -12.893 -7.740 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -7.468 -12.899 -9.354 1.00 0.00 H new ATOM 1271 N GLY B 26 -11.863 -12.146 -11.244 1.00 0.00 N ATOM 1272 CA GLY B 26 -13.201 -11.852 -11.779 1.00 0.00 C ATOM 1273 C GLY B 26 -14.013 -10.794 -11.009 1.00 0.00 C ATOM 1274 O GLY B 26 -15.233 -10.931 -10.895 1.00 0.00 O ATOM 0 H GLY B 26 -11.117 -11.984 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY B 26 -13.094 -11.520 -12.812 1.00 0.00 H new ATOM 0 HA3 GLY B 26 -13.775 -12.778 -11.800 1.00 0.00 H new ATOM 1278 N ASP B 27 -13.363 -9.751 -10.478 1.00 0.00 N ATOM 1279 CA ASP B 27 -14.001 -8.677 -9.696 1.00 0.00 C ATOM 1280 C ASP B 27 -13.809 -7.301 -10.376 1.00 0.00 C ATOM 1281 O ASP B 27 -12.694 -6.993 -10.815 1.00 0.00 O ATOM 1282 CB ASP B 27 -13.421 -8.672 -8.272 1.00 0.00 C ATOM 1283 CG ASP B 27 -14.198 -7.715 -7.352 1.00 0.00 C ATOM 1284 OD1 ASP B 27 -14.029 -6.481 -7.493 1.00 0.00 O ATOM 1285 OD2 ASP B 27 -15.000 -8.195 -6.517 1.00 0.00 O ATOM 0 H ASP B 27 -12.356 -9.625 -10.581 1.00 0.00 H new ATOM 0 HA ASP B 27 -15.073 -8.865 -9.645 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.454 -9.681 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.373 -8.375 -8.306 1.00 0.00 H new ATOM 1290 N PRO B 28 -14.856 -6.453 -10.479 1.00 0.00 N ATOM 1291 CA PRO B 28 -14.785 -5.190 -11.216 1.00 0.00 C ATOM 1292 C PRO B 28 -13.843 -4.136 -10.610 1.00 0.00 C ATOM 1293 O PRO B 28 -13.395 -3.253 -11.347 1.00 0.00 O ATOM 1294 CB PRO B 28 -16.228 -4.675 -11.296 1.00 0.00 C ATOM 1295 CG PRO B 28 -16.910 -5.316 -10.090 1.00 0.00 C ATOM 1296 CD PRO B 28 -16.215 -6.672 -9.999 1.00 0.00 C ATOM 0 HA PRO B 28 -14.348 -5.374 -12.197 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -16.268 -3.587 -11.247 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -16.707 -4.970 -12.230 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -16.770 -4.727 -9.184 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -17.985 -5.420 -10.239 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -16.213 -7.043 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -16.729 -7.417 -10.606 1.00 0.00 H new ATOM 1304 N VAL B 29 -13.501 -4.193 -9.313 1.00 0.00 N ATOM 1305 CA VAL B 29 -12.607 -3.186 -8.703 1.00 0.00 C ATOM 1306 C VAL B 29 -11.173 -3.274 -9.234 1.00 0.00 C ATOM 1307 O VAL B 29 -10.513 -2.245 -9.374 1.00 0.00 O ATOM 1308 CB VAL B 29 -12.677 -3.204 -7.159 1.00 0.00 C ATOM 1309 CG1 VAL B 29 -11.727 -4.191 -6.471 1.00 0.00 C ATOM 1310 CG2 VAL B 29 -12.393 -1.806 -6.595 1.00 0.00 C ATOM 0 H VAL B 29 -13.824 -4.916 -8.670 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.979 -2.210 -9.015 1.00 0.00 H new ATOM 0 HB VAL B 29 -13.692 -3.537 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -11.854 -4.125 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -11.953 -5.205 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -10.697 -3.946 -6.731 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -12.446 -1.835 -5.507 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -11.397 -1.485 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -13.134 -1.103 -6.976 1.00 0.00 H new ATOM 1320 N LEU B 30 -10.699 -4.462 -9.632 1.00 0.00 N ATOM 1321 CA LEU B 30 -9.375 -4.653 -10.221 1.00 0.00 C ATOM 1322 C LEU B 30 -9.172 -3.830 -11.505 1.00 0.00 C ATOM 1323 O LEU B 30 -8.083 -3.302 -11.730 1.00 0.00 O ATOM 1324 CB LEU B 30 -9.160 -6.154 -10.477 1.00 0.00 C ATOM 1325 CG LEU B 30 -8.306 -6.844 -9.400 1.00 0.00 C ATOM 1326 CD1 LEU B 30 -9.049 -6.977 -8.068 1.00 0.00 C ATOM 1327 CD2 LEU B 30 -7.908 -8.236 -9.885 1.00 0.00 C ATOM 0 H LEU B 30 -11.235 -5.326 -9.551 1.00 0.00 H new ATOM 0 HA LEU B 30 -8.628 -4.287 -9.516 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -10.130 -6.648 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -8.681 -6.284 -11.448 1.00 0.00 H new ATOM 0 HG LEU B 30 -7.426 -6.223 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -8.405 -7.470 -7.340 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -9.319 -5.987 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -9.953 -7.569 -8.213 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -7.302 -8.727 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -8.805 -8.826 -10.072 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -7.332 -8.149 -10.806 1.00 0.00 H new ATOM 1339 N ALA B 31 -10.224 -3.657 -12.314 1.00 0.00 N ATOM 1340 CA ALA B 31 -10.184 -2.833 -13.524 1.00 0.00 C ATOM 1341 C ALA B 31 -9.946 -1.337 -13.231 1.00 0.00 C ATOM 1342 O ALA B 31 -9.314 -0.651 -14.039 1.00 0.00 O ATOM 1343 CB ALA B 31 -11.488 -3.040 -14.304 1.00 0.00 C ATOM 0 H ALA B 31 -11.132 -4.089 -12.145 1.00 0.00 H new ATOM 0 HA ALA B 31 -9.331 -3.154 -14.122 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -11.472 -2.432 -15.208 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -11.587 -4.091 -14.575 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -12.334 -2.745 -13.683 1.00 0.00 H new ATOM 1349 N LYS B 32 -10.398 -0.833 -12.069 1.00 0.00 N ATOM 1350 CA LYS B 32 -10.106 0.534 -11.606 1.00 0.00 C ATOM 1351 C LYS B 32 -8.745 0.595 -10.917 1.00 0.00 C ATOM 1352 O LYS B 32 -8.024 1.575 -11.082 1.00 0.00 O ATOM 1353 CB LYS B 32 -11.293 1.097 -10.779 1.00 0.00 C ATOM 1354 CG LYS B 32 -11.170 1.235 -9.244 1.00 0.00 C ATOM 1355 CD LYS B 32 -10.269 2.401 -8.801 1.00 0.00 C ATOM 1356 CE LYS B 32 -10.465 2.752 -7.324 1.00 0.00 C ATOM 1357 NZ LYS B 32 -9.448 3.742 -6.884 1.00 0.00 N ATOM 0 H LYS B 32 -10.979 -1.366 -11.422 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.015 1.205 -12.460 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -11.524 2.086 -11.176 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -12.157 0.463 -10.979 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -12.164 1.373 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -10.775 0.305 -8.834 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -9.226 2.139 -8.975 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.484 3.277 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.465 3.157 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.389 1.850 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -9.596 3.969 -5.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.496 3.343 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.539 4.609 -7.452 1.00 0.00 H new ATOM 1371 N ILE B 33 -8.361 -0.456 -10.189 1.00 0.00 N ATOM 1372 CA ILE B 33 -7.108 -0.485 -9.423 1.00 0.00 C ATOM 1373 C ILE B 33 -5.858 -0.224 -10.287 1.00 0.00 C ATOM 1374 O ILE B 33 -4.922 0.441 -9.840 1.00 0.00 O ATOM 1375 CB ILE B 33 -7.001 -1.790 -8.600 1.00 0.00 C ATOM 1376 CG1 ILE B 33 -7.861 -1.638 -7.326 1.00 0.00 C ATOM 1377 CG2 ILE B 33 -5.558 -2.193 -8.241 1.00 0.00 C ATOM 1378 CD1 ILE B 33 -7.880 -2.887 -6.445 1.00 0.00 C ATOM 0 H ILE B 33 -8.909 -1.313 -10.112 1.00 0.00 H new ATOM 0 HA ILE B 33 -7.142 0.349 -8.722 1.00 0.00 H new ATOM 0 HB ILE B 33 -7.371 -2.601 -9.227 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.484 -0.798 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -8.883 -1.393 -7.615 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -5.571 -3.118 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -4.984 -2.344 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -5.096 -1.403 -7.649 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -8.504 -2.705 -5.570 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -8.285 -3.726 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -6.865 -3.122 -6.125 1.00 0.00 H new ATOM 1390 N LEU B 34 -5.852 -0.703 -11.537 1.00 0.00 N ATOM 1391 CA LEU B 34 -4.755 -0.505 -12.497 1.00 0.00 C ATOM 1392 C LEU B 34 -4.423 0.971 -12.740 1.00 0.00 C ATOM 1393 O LEU B 34 -3.251 1.339 -12.815 1.00 0.00 O ATOM 1394 CB LEU B 34 -5.143 -1.146 -13.844 1.00 0.00 C ATOM 1395 CG LEU B 34 -5.259 -2.674 -13.800 1.00 0.00 C ATOM 1396 CD1 LEU B 34 -6.000 -3.194 -15.032 1.00 0.00 C ATOM 1397 CD2 LEU B 34 -3.884 -3.342 -13.757 1.00 0.00 C ATOM 0 H LEU B 34 -6.624 -1.250 -11.919 1.00 0.00 H new ATOM 0 HA LEU B 34 -3.870 -0.973 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.096 -0.729 -14.171 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.400 -0.870 -14.593 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.810 -2.921 -12.893 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.072 -4.280 -14.982 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.002 -2.765 -15.062 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -5.456 -2.908 -15.932 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.006 -4.425 -13.726 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -3.317 -3.066 -14.646 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.347 -3.012 -12.868 1.00 0.00 H new ATOM 1409 N GLU B 35 -5.446 1.818 -12.846 1.00 0.00 N ATOM 1410 CA GLU B 35 -5.304 3.247 -13.092 1.00 0.00 C ATOM 1411 C GLU B 35 -4.540 3.938 -11.959 1.00 0.00 C ATOM 1412 O GLU B 35 -3.646 4.740 -12.223 1.00 0.00 O ATOM 1413 CB GLU B 35 -6.709 3.835 -13.247 1.00 0.00 C ATOM 1414 CG GLU B 35 -7.141 3.983 -14.705 1.00 0.00 C ATOM 1415 CD GLU B 35 -6.743 5.353 -15.287 1.00 0.00 C ATOM 1416 OE1 GLU B 35 -5.593 5.506 -15.764 1.00 0.00 O ATOM 1417 OE2 GLU B 35 -7.580 6.288 -15.273 1.00 0.00 O ATOM 0 H GLU B 35 -6.418 1.520 -12.761 1.00 0.00 H new ATOM 0 HA GLU B 35 -4.724 3.411 -14.000 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -7.423 3.197 -12.726 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.743 4.811 -12.764 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -6.687 3.190 -15.300 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -8.221 3.858 -14.778 1.00 0.00 H new ATOM 1424 N ASP B 36 -4.831 3.589 -10.702 1.00 0.00 N ATOM 1425 CA ASP B 36 -4.145 4.127 -9.537 1.00 0.00 C ATOM 1426 C ASP B 36 -2.631 3.859 -9.604 1.00 0.00 C ATOM 1427 O ASP B 36 -1.829 4.786 -9.487 1.00 0.00 O ATOM 1428 CB ASP B 36 -4.734 3.484 -8.279 1.00 0.00 C ATOM 1429 CG ASP B 36 -6.227 3.738 -8.034 1.00 0.00 C ATOM 1430 OD1 ASP B 36 -6.731 4.859 -8.271 1.00 0.00 O ATOM 1431 OD2 ASP B 36 -6.900 2.805 -7.535 1.00 0.00 O ATOM 0 H ASP B 36 -5.560 2.915 -10.469 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.288 5.207 -9.512 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.573 2.407 -8.335 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -4.177 3.845 -7.415 1.00 0.00 H new ATOM 1436 N GLU B 37 -2.223 2.610 -9.856 1.00 0.00 N ATOM 1437 CA GLU B 37 -0.801 2.252 -9.953 1.00 0.00 C ATOM 1438 C GLU B 37 -0.121 2.852 -11.204 1.00 0.00 C ATOM 1439 O GLU B 37 1.070 3.162 -11.165 1.00 0.00 O ATOM 1440 CB GLU B 37 -0.626 0.721 -9.928 1.00 0.00 C ATOM 1441 CG GLU B 37 -1.310 -0.044 -8.775 1.00 0.00 C ATOM 1442 CD GLU B 37 -0.803 0.273 -7.359 1.00 0.00 C ATOM 1443 OE1 GLU B 37 0.056 1.161 -7.160 1.00 0.00 O ATOM 1444 OE2 GLU B 37 -1.280 -0.328 -6.358 1.00 0.00 O ATOM 0 H GLU B 37 -2.860 1.826 -9.997 1.00 0.00 H new ATOM 0 HA GLU B 37 -0.306 2.684 -9.083 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -1.003 0.322 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU B 37 0.441 0.503 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -2.379 0.165 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.188 -1.113 -8.952 1.00 0.00 H new ATOM 1451 N GLU B 38 -0.858 3.095 -12.296 1.00 0.00 N ATOM 1452 CA GLU B 38 -0.347 3.844 -13.455 1.00 0.00 C ATOM 1453 C GLU B 38 -0.113 5.338 -13.161 1.00 0.00 C ATOM 1454 O GLU B 38 0.854 5.914 -13.659 1.00 0.00 O ATOM 1455 CB GLU B 38 -1.289 3.704 -14.663 1.00 0.00 C ATOM 1456 CG GLU B 38 -1.094 2.368 -15.392 1.00 0.00 C ATOM 1457 CD GLU B 38 -1.786 2.388 -16.778 1.00 0.00 C ATOM 1458 OE1 GLU B 38 -2.989 2.065 -16.869 1.00 0.00 O ATOM 1459 OE2 GLU B 38 -1.110 2.712 -17.782 1.00 0.00 O ATOM 0 H GLU B 38 -1.822 2.780 -12.402 1.00 0.00 H new ATOM 0 HA GLU B 38 0.621 3.401 -13.687 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -2.323 3.787 -14.328 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -1.112 4.525 -15.358 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -0.030 2.169 -15.515 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -1.502 1.557 -14.789 1.00 0.00 H new ATOM 1466 N LYS B 39 -0.947 5.985 -12.337 1.00 0.00 N ATOM 1467 CA LYS B 39 -0.710 7.359 -11.878 1.00 0.00 C ATOM 1468 C LYS B 39 0.503 7.398 -10.953 1.00 0.00 C ATOM 1469 O LYS B 39 1.386 8.237 -11.127 1.00 0.00 O ATOM 1470 CB LYS B 39 -1.956 7.899 -11.160 1.00 0.00 C ATOM 1471 CG LYS B 39 -2.941 8.663 -12.058 1.00 0.00 C ATOM 1472 CD LYS B 39 -3.917 7.849 -12.919 1.00 0.00 C ATOM 1473 CE LYS B 39 -3.292 7.218 -14.172 1.00 0.00 C ATOM 1474 NZ LYS B 39 -3.423 8.091 -15.366 1.00 0.00 N ATOM 0 H LYS B 39 -1.804 5.571 -11.970 1.00 0.00 H new ATOM 0 HA LYS B 39 -0.508 7.993 -12.741 1.00 0.00 H new ATOM 0 HB2 LYS B 39 -2.482 7.063 -10.698 1.00 0.00 H new ATOM 0 HB3 LYS B 39 -1.635 8.559 -10.354 1.00 0.00 H new ATOM 0 HG2 LYS B 39 -3.530 9.323 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS B 39 -2.359 9.299 -12.725 1.00 0.00 H new ATOM 0 HD2 LYS B 39 -4.348 7.057 -12.306 1.00 0.00 H new ATOM 0 HD3 LYS B 39 -4.738 8.497 -13.226 1.00 0.00 H new ATOM 0 HE2 LYS B 39 -2.237 7.015 -13.987 1.00 0.00 H new ATOM 0 HE3 LYS B 39 -3.771 6.259 -14.371 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 -2.987 7.624 -16.187 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 -4.430 8.264 -15.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 -2.944 8.997 -15.188 1.00 0.00 H new ATOM 1488 N HIS B 40 0.598 6.437 -10.029 1.00 0.00 N ATOM 1489 CA HIS B 40 1.705 6.303 -9.093 1.00 0.00 C ATOM 1490 C HIS B 40 3.079 6.194 -9.763 1.00 0.00 C ATOM 1491 O HIS B 40 4.026 6.691 -9.178 1.00 0.00 O ATOM 1492 CB HIS B 40 1.501 5.055 -8.231 1.00 0.00 C ATOM 1493 CG HIS B 40 0.361 5.023 -7.248 1.00 0.00 C ATOM 1494 ND1 HIS B 40 0.062 3.929 -6.414 1.00 0.00 N ATOM 1495 CD2 HIS B 40 -0.556 6.011 -7.045 1.00 0.00 C ATOM 1496 CE1 HIS B 40 -1.067 4.297 -5.765 1.00 0.00 C ATOM 1497 NE2 HIS B 40 -1.444 5.537 -6.114 1.00 0.00 N ATOM 0 H HIS B 40 -0.114 5.715 -9.913 1.00 0.00 H new ATOM 0 HA HIS B 40 1.702 7.217 -8.499 1.00 0.00 H new ATOM 0 HB2 HIS B 40 1.378 4.207 -8.905 1.00 0.00 H new ATOM 0 HB3 HIS B 40 2.422 4.887 -7.672 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -0.579 6.979 -7.524 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -1.596 3.674 -5.058 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -2.253 6.040 -5.749 1.00 0.00 H new ATOM 1505 N ILE B 41 3.199 5.575 -10.946 1.00 0.00 N ATOM 1506 CA ILE B 41 4.457 5.304 -11.672 1.00 0.00 C ATOM 1507 C ILE B 41 4.939 6.547 -12.441 1.00 0.00 C ATOM 1508 O ILE B 41 6.139 6.812 -12.513 1.00 0.00 O ATOM 1509 CB ILE B 41 4.320 4.061 -12.604 1.00 0.00 C ATOM 1510 CG1 ILE B 41 5.623 3.230 -12.625 1.00 0.00 C ATOM 1511 CG2 ILE B 41 3.945 4.374 -14.064 1.00 0.00 C ATOM 1512 CD1 ILE B 41 5.648 2.197 -11.496 1.00 0.00 C ATOM 0 H ILE B 41 2.383 5.231 -11.451 1.00 0.00 H new ATOM 0 HA ILE B 41 5.222 5.067 -10.932 1.00 0.00 H new ATOM 0 HB ILE B 41 3.492 3.504 -12.165 1.00 0.00 H new ATOM 0 HG12 ILE B 41 5.717 2.723 -13.585 1.00 0.00 H new ATOM 0 HG13 ILE B 41 6.481 3.895 -12.530 1.00 0.00 H new ATOM 0 HG21 ILE B 41 3.875 3.444 -14.629 1.00 0.00 H new ATOM 0 HG22 ILE B 41 2.984 4.889 -14.091 1.00 0.00 H new ATOM 0 HG23 ILE B 41 4.710 5.011 -14.508 1.00 0.00 H new ATOM 0 HD11 ILE B 41 6.578 1.631 -11.541 1.00 0.00 H new ATOM 0 HD12 ILE B 41 5.580 2.707 -10.535 1.00 0.00 H new ATOM 0 HD13 ILE B 41 4.804 1.517 -11.607 1.00 0.00 H new ATOM 1524 N GLU B 42 4.008 7.352 -12.967 1.00 0.00 N ATOM 1525 CA GLU B 42 4.302 8.671 -13.542 1.00 0.00 C ATOM 1526 C GLU B 42 4.760 9.633 -12.435 1.00 0.00 C ATOM 1527 O GLU B 42 5.803 10.283 -12.548 1.00 0.00 O ATOM 1528 CB GLU B 42 3.048 9.200 -14.263 1.00 0.00 C ATOM 1529 CG GLU B 42 3.328 10.488 -15.047 1.00 0.00 C ATOM 1530 CD GLU B 42 2.047 11.014 -15.735 1.00 0.00 C ATOM 1531 OE1 GLU B 42 1.636 10.448 -16.774 1.00 0.00 O ATOM 1532 OE2 GLU B 42 1.458 12.008 -15.246 1.00 0.00 O ATOM 0 H GLU B 42 3.019 7.104 -13.006 1.00 0.00 H new ATOM 0 HA GLU B 42 5.110 8.590 -14.269 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.674 8.436 -14.945 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.262 9.386 -13.531 1.00 0.00 H new ATOM 0 HG2 GLU B 42 3.720 11.249 -14.373 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.096 10.300 -15.797 1.00 0.00 H new ATOM 1539 N TRP B 43 4.026 9.654 -11.317 1.00 0.00 N ATOM 1540 CA TRP B 43 4.418 10.367 -10.101 1.00 0.00 C ATOM 1541 C TRP B 43 5.731 9.837 -9.503 1.00 0.00 C ATOM 1542 O TRP B 43 6.492 10.625 -8.944 1.00 0.00 O ATOM 1543 CB TRP B 43 3.269 10.315 -9.085 1.00 0.00 C ATOM 1544 CG TRP B 43 1.969 10.945 -9.512 1.00 0.00 C ATOM 1545 CD1 TRP B 43 1.821 11.916 -10.448 1.00 0.00 C ATOM 1546 CD2 TRP B 43 0.615 10.670 -9.024 1.00 0.00 C ATOM 1547 NE1 TRP B 43 0.487 12.248 -10.576 1.00 0.00 N ATOM 1548 CE2 TRP B 43 -0.301 11.519 -9.714 1.00 0.00 C ATOM 1549 CE3 TRP B 43 0.067 9.802 -8.052 1.00 0.00 C ATOM 1550 CZ2 TRP B 43 -1.680 11.513 -9.457 1.00 0.00 C ATOM 1551 CZ3 TRP B 43 -1.314 9.793 -7.775 1.00 0.00 C ATOM 1552 CH2 TRP B 43 -2.189 10.644 -8.476 1.00 0.00 C ATOM 0 H TRP B 43 3.132 9.170 -11.232 1.00 0.00 H new ATOM 0 HA TRP B 43 4.613 11.406 -10.365 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.078 9.271 -8.838 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.601 10.803 -8.169 1.00 0.00 H new ATOM 0 HD1 TRP B 43 2.628 12.363 -11.010 1.00 0.00 H new ATOM 0 HE1 TRP B 43 0.130 12.946 -11.228 1.00 0.00 H new ATOM 0 HE3 TRP B 43 0.720 9.133 -7.511 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -2.342 12.167 -10.005 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -1.705 9.128 -7.019 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -3.247 10.629 -8.261 1.00 0.00 H new ATOM 1563 N LEU B 44 6.042 8.543 -9.665 1.00 0.00 N ATOM 1564 CA LEU B 44 7.283 7.925 -9.169 1.00 0.00 C ATOM 1565 C LEU B 44 8.545 8.591 -9.738 1.00 0.00 C ATOM 1566 O LEU B 44 9.400 9.075 -9.001 1.00 0.00 O ATOM 1567 CB LEU B 44 7.249 6.436 -9.549 1.00 0.00 C ATOM 1568 CG LEU B 44 7.818 5.465 -8.529 1.00 0.00 C ATOM 1569 CD1 LEU B 44 7.523 4.039 -8.964 1.00 0.00 C ATOM 1570 CD2 LEU B 44 9.299 5.670 -8.282 1.00 0.00 C ATOM 0 H LEU B 44 5.431 7.886 -10.151 1.00 0.00 H new ATOM 0 HA LEU B 44 7.332 8.056 -8.088 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.214 6.157 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU B 44 7.796 6.309 -10.483 1.00 0.00 H new ATOM 0 HG LEU B 44 7.328 5.661 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU B 44 7.932 3.343 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU B 44 6.445 3.897 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU B 44 7.981 3.853 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU B 44 9.648 4.947 -7.544 1.00 0.00 H new ATOM 0 HD22 LEU B 44 9.846 5.530 -9.214 1.00 0.00 H new ATOM 0 HD23 LEU B 44 9.469 6.680 -7.909 1.00 0.00 H new ATOM 1582 N GLU B 45 8.632 8.651 -11.064 1.00 0.00 N ATOM 1583 CA GLU B 45 9.730 9.312 -11.788 1.00 0.00 C ATOM 1584 C GLU B 45 9.696 10.842 -11.639 1.00 0.00 C ATOM 1585 O GLU B 45 10.734 11.502 -11.632 1.00 0.00 O ATOM 1586 CB GLU B 45 9.641 8.930 -13.270 1.00 0.00 C ATOM 1587 CG GLU B 45 11.006 9.002 -13.963 1.00 0.00 C ATOM 1588 CD GLU B 45 10.897 8.619 -15.453 1.00 0.00 C ATOM 1589 OE1 GLU B 45 10.864 7.404 -15.769 1.00 0.00 O ATOM 1590 OE2 GLU B 45 10.856 9.530 -16.315 1.00 0.00 O ATOM 0 H GLU B 45 7.934 8.237 -11.682 1.00 0.00 H new ATOM 0 HA GLU B 45 10.672 8.973 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU B 45 9.241 7.920 -13.361 1.00 0.00 H new ATOM 0 HB3 GLU B 45 8.942 9.597 -13.775 1.00 0.00 H new ATOM 0 HG2 GLU B 45 11.410 10.010 -13.873 1.00 0.00 H new ATOM 0 HG3 GLU B 45 11.706 8.333 -13.463 1.00 0.00 H new ATOM 1597 N THR B 46 8.505 11.419 -11.469 1.00 0.00 N ATOM 1598 CA THR B 46 8.353 12.843 -11.103 1.00 0.00 C ATOM 1599 C THR B 46 8.977 13.160 -9.730 1.00 0.00 C ATOM 1600 O THR B 46 9.495 14.259 -9.527 1.00 0.00 O ATOM 1601 CB THR B 46 6.880 13.286 -11.154 1.00 0.00 C ATOM 1602 OG1 THR B 46 6.325 13.021 -12.427 1.00 0.00 O ATOM 1603 CG2 THR B 46 6.684 14.786 -10.927 1.00 0.00 C ATOM 0 H THR B 46 7.620 10.924 -11.578 1.00 0.00 H new ATOM 0 HA THR B 46 8.902 13.417 -11.849 1.00 0.00 H new ATOM 0 HB THR B 46 6.395 12.725 -10.355 1.00 0.00 H new ATOM 0 HG1 THR B 46 6.130 12.064 -12.506 1.00 0.00 H new ATOM 0 HG21 THR B 46 5.622 15.026 -10.977 1.00 0.00 H new ATOM 0 HG22 THR B 46 7.072 15.059 -9.946 1.00 0.00 H new ATOM 0 HG23 THR B 46 7.218 15.343 -11.697 1.00 0.00 H new ATOM 1611 N ILE B 47 9.007 12.196 -8.797 1.00 0.00 N ATOM 1612 CA ILE B 47 9.556 12.352 -7.435 1.00 0.00 C ATOM 1613 C ILE B 47 11.087 12.532 -7.362 1.00 0.00 C ATOM 1614 O ILE B 47 11.634 12.855 -6.306 1.00 0.00 O ATOM 1615 CB ILE B 47 8.996 11.232 -6.505 1.00 0.00 C ATOM 1616 CG1 ILE B 47 8.230 11.813 -5.300 1.00 0.00 C ATOM 1617 CG2 ILE B 47 10.039 10.220 -5.994 1.00 0.00 C ATOM 1618 CD1 ILE B 47 6.912 12.499 -5.684 1.00 0.00 C ATOM 0 H ILE B 47 8.641 11.260 -8.971 1.00 0.00 H new ATOM 0 HA ILE B 47 9.202 13.311 -7.057 1.00 0.00 H new ATOM 0 HB ILE B 47 8.317 10.681 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE B 47 8.020 11.011 -4.592 1.00 0.00 H new ATOM 0 HG13 ILE B 47 8.868 12.532 -4.787 1.00 0.00 H new ATOM 0 HG21 ILE B 47 9.550 9.484 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE B 47 10.502 9.715 -6.842 1.00 0.00 H new ATOM 0 HG23 ILE B 47 10.804 10.744 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE B 47 6.427 12.884 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE B 47 7.116 13.323 -6.368 1.00 0.00 H new ATOM 0 HD13 ILE B 47 6.255 11.778 -6.171 1.00 0.00 H new ATOM 1630 N ASN B 48 11.780 12.388 -8.493 1.00 0.00 N ATOM 1631 CA ASN B 48 13.224 12.602 -8.643 1.00 0.00 C ATOM 1632 C ASN B 48 13.701 14.043 -8.351 1.00 0.00 C ATOM 1633 O ASN B 48 14.892 14.256 -8.103 1.00 0.00 O ATOM 1634 CB ASN B 48 13.641 12.174 -10.063 1.00 0.00 C ATOM 1635 CG ASN B 48 13.897 10.683 -10.197 1.00 0.00 C ATOM 1636 OD1 ASN B 48 12.997 9.873 -10.359 1.00 0.00 O ATOM 1637 ND2 ASN B 48 15.144 10.267 -10.138 1.00 0.00 N ATOM 0 H ASN B 48 11.334 12.108 -9.366 1.00 0.00 H new ATOM 0 HA ASN B 48 13.711 11.990 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN B 48 12.860 12.465 -10.765 1.00 0.00 H new ATOM 0 HB3 ASN B 48 14.543 12.716 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN B 48 15.355 9.273 -10.227 1.00 0.00 H new ATOM 0 HD22 ASN B 48 15.900 10.939 -10.003 1.00 0.00 H new ATOM 1644 N GLY B 49 12.793 15.024 -8.381 1.00 0.00 N ATOM 1645 CA GLY B 49 13.070 16.448 -8.130 1.00 0.00 C ATOM 1646 C GLY B 49 11.900 17.366 -8.481 1.00 0.00 C ATOM 1647 O GLY B 49 11.161 17.766 -7.555 1.00 0.00 O ATOM 1648 OXT GLY B 49 11.747 17.696 -9.677 1.00 0.00 O ATOM 0 H GLY B 49 11.810 14.846 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY B 49 13.323 16.581 -7.078 1.00 0.00 H new ATOM 0 HA3 GLY B 49 13.944 16.748 -8.709 1.00 0.00 H new TER 1652 GLY B 49 HETATM 1653 ZN ZN A 50 -2.066 -0.342 -4.930 1.00 0.00 ZN HETATM 1654 ZN ZN B 150 1.125 2.125 -6.111 1.00 0.00 ZN