USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 557 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.495 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0147) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 100:sc= -0.208 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= -0.203 (180deg=-1.2) USER MOD Single : A 24 GLN : amide:sc= -7.66! C(o=-7.7!,f=-10!) USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.405) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.376 X(o=-0.38,f=0) USER MOD Single : A 31 MET CE :methyl 160:sc= -1.38 (180deg=-2.36!) USER MOD Single : A 33 HIS : no HD1:sc= -4.04! C(o=-4!,f=-4.4!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -104:sc= 0.00975 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.153 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0813) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 120:sc= -1.56 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 55 GLN : amide:sc= -0.635 K(o=-0.63,f=-1.6!) USER MOD Single : A 60 THR OG1 : rot 76:sc= 0.851 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 21.298 -4.942 -7.762 1.00 0.00 N ATOM 18 CA LYS A 2 19.920 -4.806 -7.210 1.00 0.00 C ATOM 19 C LYS A 2 19.791 -3.495 -6.429 1.00 0.00 C ATOM 20 O LYS A 2 20.217 -3.393 -5.295 1.00 0.00 O ATOM 21 CB LYS A 2 19.748 -6.005 -6.278 1.00 0.00 C ATOM 22 CG LYS A 2 19.444 -7.255 -7.107 1.00 0.00 C ATOM 23 CD LYS A 2 20.230 -8.442 -6.548 1.00 0.00 C ATOM 24 CE LYS A 2 19.711 -8.785 -5.151 1.00 0.00 C ATOM 25 NZ LYS A 2 20.225 -10.155 -4.876 1.00 0.00 N ATOM 0 HA LYS A 2 19.161 -4.785 -7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.654 -6.156 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.939 -5.818 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.376 -7.469 -7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.712 -7.087 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.126 -9.303 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.292 -8.200 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.071 -8.072 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.622 -8.758 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.910 -10.461 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.860 -10.813 -5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.264 -10.149 -4.909 1.00 0.00 H new ATOM 39 N ALA A 3 19.206 -2.494 -7.026 1.00 0.00 N ATOM 40 CA ALA A 3 19.050 -1.190 -6.319 1.00 0.00 C ATOM 41 C ALA A 3 17.746 -1.176 -5.516 1.00 0.00 C ATOM 42 O ALA A 3 16.737 -1.701 -5.945 1.00 0.00 O ATOM 43 CB ALA A 3 19.003 -0.142 -7.430 1.00 0.00 C ATOM 0 H ALA A 3 18.829 -2.522 -7.973 1.00 0.00 H new ATOM 0 HA ALA A 3 19.860 -1.003 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.889 0.849 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 3 19.928 -0.180 -8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.158 -0.347 -8.088 1.00 0.00 H new ATOM 49 N SER A 4 17.758 -0.576 -4.357 1.00 0.00 N ATOM 50 CA SER A 4 16.517 -0.527 -3.533 1.00 0.00 C ATOM 51 C SER A 4 15.398 0.168 -4.313 1.00 0.00 C ATOM 52 O SER A 4 15.466 0.309 -5.518 1.00 0.00 O ATOM 53 CB SER A 4 16.896 0.287 -2.296 1.00 0.00 C ATOM 54 OG SER A 4 16.373 1.603 -2.420 1.00 0.00 O ATOM 0 H SER A 4 18.572 -0.119 -3.946 1.00 0.00 H new ATOM 0 HA SER A 4 16.153 -1.520 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.502 -0.190 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.980 0.323 -2.189 1.00 0.00 H new ATOM 0 HG SER A 4 16.613 2.127 -1.627 1.00 0.00 H new ATOM 60 N CYS A 5 14.370 0.604 -3.638 1.00 0.00 N ATOM 61 CA CYS A 5 13.250 1.291 -4.347 1.00 0.00 C ATOM 62 C CYS A 5 13.075 2.713 -3.807 1.00 0.00 C ATOM 63 O CYS A 5 13.926 3.235 -3.115 1.00 0.00 O ATOM 64 CB CYS A 5 12.005 0.460 -4.041 1.00 0.00 C ATOM 65 SG CYS A 5 12.369 -1.305 -4.230 1.00 0.00 S ATOM 0 H CYS A 5 14.256 0.515 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 5 13.437 1.369 -5.418 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.665 0.662 -3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.194 0.745 -4.711 1.00 0.00 H new ATOM 70 N LYS A 6 11.971 3.338 -4.114 1.00 0.00 N ATOM 71 CA LYS A 6 11.731 4.722 -3.616 1.00 0.00 C ATOM 72 C LYS A 6 10.273 4.874 -3.172 1.00 0.00 C ATOM 73 O LYS A 6 9.367 4.883 -3.982 1.00 0.00 O ATOM 74 CB LYS A 6 12.029 5.633 -4.806 1.00 0.00 C ATOM 75 CG LYS A 6 12.532 6.987 -4.300 1.00 0.00 C ATOM 76 CD LYS A 6 11.402 7.713 -3.568 1.00 0.00 C ATOM 77 CE LYS A 6 11.541 9.223 -3.787 1.00 0.00 C ATOM 78 NZ LYS A 6 10.224 9.801 -3.392 1.00 0.00 N ATOM 0 H LYS A 6 11.224 2.949 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 6 12.354 4.966 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.778 5.173 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.130 5.769 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.380 6.844 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.884 7.591 -5.136 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.435 7.369 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.438 7.484 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.349 9.635 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.774 9.450 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.247 10.833 -3.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.474 9.397 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.031 9.577 -2.395 1.00 0.00 H new ATOM 92 N LEU A 7 10.044 4.991 -1.892 1.00 0.00 N ATOM 93 CA LEU A 7 8.647 5.140 -1.386 1.00 0.00 C ATOM 94 C LEU A 7 7.836 6.063 -2.307 1.00 0.00 C ATOM 95 O LEU A 7 7.965 7.270 -2.235 1.00 0.00 O ATOM 96 CB LEU A 7 8.799 5.773 -0.004 1.00 0.00 C ATOM 97 CG LEU A 7 9.649 7.039 -0.115 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.955 8.188 0.616 1.00 0.00 C ATOM 99 CD2 LEU A 7 11.020 6.789 0.517 1.00 0.00 C ATOM 0 H LEU A 7 10.766 4.990 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 7 8.119 4.187 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.819 6.015 0.407 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.267 5.067 0.682 1.00 0.00 H new ATOM 0 HG LEU A 7 9.773 7.300 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.562 9.090 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.978 8.367 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.829 7.927 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.627 7.691 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.894 6.527 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.517 5.971 -0.004 1.00 0.00 H new ATOM 111 N PRO A 8 7.022 5.469 -3.149 1.00 0.00 N ATOM 112 CA PRO A 8 6.186 6.256 -4.088 1.00 0.00 C ATOM 113 C PRO A 8 5.193 7.132 -3.318 1.00 0.00 C ATOM 114 O PRO A 8 4.686 8.110 -3.831 1.00 0.00 O ATOM 115 CB PRO A 8 5.457 5.169 -4.883 1.00 0.00 C ATOM 116 CG PRO A 8 5.905 3.789 -4.363 1.00 0.00 C ATOM 117 CD PRO A 8 6.893 3.994 -3.209 1.00 0.00 C ATOM 0 HA PRO A 8 6.758 6.938 -4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.378 5.281 -4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.682 5.263 -5.945 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.043 3.215 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.374 3.217 -5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.514 3.582 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.850 3.511 -3.405 1.00 0.00 H new ATOM 125 N VAL A 9 4.909 6.788 -2.092 1.00 0.00 N ATOM 126 CA VAL A 9 3.946 7.601 -1.295 1.00 0.00 C ATOM 127 C VAL A 9 4.548 7.956 0.066 1.00 0.00 C ATOM 128 O VAL A 9 5.650 7.561 0.391 1.00 0.00 O ATOM 129 CB VAL A 9 2.720 6.705 -1.123 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.537 7.544 -0.641 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.371 6.056 -2.465 1.00 0.00 C ATOM 0 H VAL A 9 5.301 5.980 -1.608 1.00 0.00 H new ATOM 0 HA VAL A 9 3.698 8.543 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 9 2.938 5.930 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.663 6.904 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.784 8.007 0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.319 8.320 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.497 5.417 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.154 6.832 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.214 5.457 -2.809 1.00 0.00 H new ATOM 141 N LYS A 10 3.833 8.701 0.864 1.00 0.00 N ATOM 142 CA LYS A 10 4.363 9.085 2.203 1.00 0.00 C ATOM 143 C LYS A 10 3.400 8.633 3.304 1.00 0.00 C ATOM 144 O LYS A 10 3.531 9.014 4.451 1.00 0.00 O ATOM 145 CB LYS A 10 4.457 10.609 2.167 1.00 0.00 C ATOM 146 CG LYS A 10 5.565 11.031 1.201 1.00 0.00 C ATOM 147 CD LYS A 10 6.036 12.442 1.555 1.00 0.00 C ATOM 148 CE LYS A 10 6.104 13.291 0.283 1.00 0.00 C ATOM 149 NZ LYS A 10 4.694 13.685 0.003 1.00 0.00 N ATOM 0 H LYS A 10 2.904 9.061 0.646 1.00 0.00 H new ATOM 0 HA LYS A 10 5.326 8.621 2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.504 11.035 1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.664 10.995 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.399 10.332 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.198 11.005 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.352 12.896 2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.016 12.401 2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.737 14.167 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.527 12.725 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.492 13.555 -1.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.050 13.092 0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.555 14.684 0.258 1.00 0.00 H new ATOM 163 N LYS A 11 2.433 7.827 2.965 1.00 0.00 N ATOM 164 CA LYS A 11 1.461 7.354 3.993 1.00 0.00 C ATOM 165 C LYS A 11 0.762 6.080 3.510 1.00 0.00 C ATOM 166 O LYS A 11 -0.421 5.893 3.720 1.00 0.00 O ATOM 167 CB LYS A 11 0.457 8.497 4.139 1.00 0.00 C ATOM 168 CG LYS A 11 0.668 9.195 5.484 1.00 0.00 C ATOM 169 CD LYS A 11 -0.386 10.290 5.662 1.00 0.00 C ATOM 170 CE LYS A 11 0.213 11.451 6.461 1.00 0.00 C ATOM 171 NZ LYS A 11 -0.938 12.045 7.196 1.00 0.00 N ATOM 0 H LYS A 11 2.273 7.475 2.021 1.00 0.00 H new ATOM 0 HA LYS A 11 1.942 7.111 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.581 9.210 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.560 8.112 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.597 8.472 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.668 9.627 5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.727 10.642 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.258 9.890 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.983 11.101 7.149 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.682 12.183 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.607 12.848 7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.652 12.375 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.360 11.327 7.819 1.00 0.00 H new ATOM 185 N ALA A 12 1.482 5.204 2.864 1.00 0.00 N ATOM 186 CA ALA A 12 0.856 3.945 2.367 1.00 0.00 C ATOM 187 C ALA A 12 0.957 2.843 3.426 1.00 0.00 C ATOM 188 O ALA A 12 2.026 2.546 3.925 1.00 0.00 O ATOM 189 CB ALA A 12 1.663 3.567 1.124 1.00 0.00 C ATOM 0 H ALA A 12 2.476 5.305 2.659 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.204 4.073 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.264 2.647 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.595 4.368 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.707 3.416 1.400 1.00 0.00 H new ATOM 195 N THR A 13 -0.144 2.232 3.769 1.00 0.00 N ATOM 196 CA THR A 13 -0.110 1.146 4.791 1.00 0.00 C ATOM 197 C THR A 13 -0.195 -0.223 4.109 1.00 0.00 C ATOM 198 O THR A 13 -1.256 -0.666 3.716 1.00 0.00 O ATOM 199 CB THR A 13 -1.342 1.385 5.666 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.527 2.782 5.847 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.145 0.710 7.026 1.00 0.00 C ATOM 0 H THR A 13 -1.067 2.438 3.386 1.00 0.00 H new ATOM 0 HA THR A 13 0.811 1.156 5.373 1.00 0.00 H new ATOM 0 HB THR A 13 -2.222 0.962 5.180 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.317 2.938 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.024 0.881 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.005 -0.361 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.266 1.129 7.516 1.00 0.00 H new ATOM 209 N VAL A 14 0.914 -0.893 3.963 1.00 0.00 N ATOM 210 CA VAL A 14 0.897 -2.231 3.304 1.00 0.00 C ATOM 211 C VAL A 14 0.977 -3.343 4.353 1.00 0.00 C ATOM 212 O VAL A 14 0.972 -3.091 5.542 1.00 0.00 O ATOM 213 CB VAL A 14 2.136 -2.247 2.410 1.00 0.00 C ATOM 214 CG1 VAL A 14 1.996 -1.181 1.323 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.376 -1.948 3.257 1.00 0.00 C ATOM 0 H VAL A 14 1.832 -0.573 4.271 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.018 -2.399 2.737 1.00 0.00 H new ATOM 0 HB VAL A 14 2.237 -3.228 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.880 -1.193 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.112 -1.389 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.896 -0.200 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.262 -1.959 2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.273 -0.966 3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.477 -2.706 4.034 1.00 0.00 H new ATOM 225 N VAL A 15 1.053 -4.573 3.921 1.00 0.00 N ATOM 226 CA VAL A 15 1.136 -5.702 4.892 1.00 0.00 C ATOM 227 C VAL A 15 2.391 -6.537 4.625 1.00 0.00 C ATOM 228 O VAL A 15 2.368 -7.484 3.864 1.00 0.00 O ATOM 229 CB VAL A 15 -0.122 -6.534 4.639 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.128 -7.747 5.571 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.361 -5.677 4.910 1.00 0.00 C ATOM 0 H VAL A 15 1.061 -4.845 2.938 1.00 0.00 H new ATOM 0 HA VAL A 15 1.197 -5.356 5.924 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.132 -6.873 3.603 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.025 -8.340 5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.755 -8.357 5.380 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.119 -7.410 6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.259 -6.268 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.350 -5.339 5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.357 -4.812 4.247 1.00 0.00 H new ATOM 241 N TYR A 16 3.487 -6.193 5.245 1.00 0.00 N ATOM 242 CA TYR A 16 4.742 -6.967 5.024 1.00 0.00 C ATOM 243 C TYR A 16 4.765 -8.214 5.913 1.00 0.00 C ATOM 244 O TYR A 16 4.678 -8.129 7.122 1.00 0.00 O ATOM 245 CB TYR A 16 5.872 -6.014 5.418 1.00 0.00 C ATOM 246 CG TYR A 16 7.099 -6.323 4.594 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.880 -7.445 4.895 1.00 0.00 C ATOM 248 CD2 TYR A 16 7.455 -5.488 3.529 1.00 0.00 C ATOM 249 CE1 TYR A 16 9.018 -7.732 4.130 1.00 0.00 C ATOM 250 CE2 TYR A 16 8.592 -5.776 2.763 1.00 0.00 C ATOM 251 CZ TYR A 16 9.373 -6.896 3.064 1.00 0.00 C ATOM 252 OH TYR A 16 10.493 -7.180 2.310 1.00 0.00 O ATOM 0 H TYR A 16 3.568 -5.410 5.894 1.00 0.00 H new ATOM 0 HA TYR A 16 4.834 -7.310 3.993 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.564 -4.981 5.258 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.097 -6.119 6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.605 -8.089 5.717 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.853 -4.622 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.621 -8.597 4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.865 -5.133 1.940 1.00 0.00 H new ATOM 0 HH TYR A 16 10.224 -7.622 1.478 1.00 0.00 H new ATOM 262 N GLN A 17 4.887 -9.370 5.321 1.00 0.00 N ATOM 263 CA GLN A 17 4.924 -10.620 6.127 1.00 0.00 C ATOM 264 C GLN A 17 3.708 -10.694 7.056 1.00 0.00 C ATOM 265 O GLN A 17 3.785 -11.209 8.154 1.00 0.00 O ATOM 266 CB GLN A 17 6.216 -10.525 6.934 1.00 0.00 C ATOM 267 CG GLN A 17 7.387 -11.018 6.081 1.00 0.00 C ATOM 268 CD GLN A 17 8.654 -11.081 6.935 1.00 0.00 C ATOM 269 OE1 GLN A 17 8.783 -10.275 7.954 1.00 0.00 O flip ATOM 270 NE2 GLN A 17 9.539 -11.871 6.673 1.00 0.00 N flip ATOM 0 H GLN A 17 4.963 -9.502 4.312 1.00 0.00 H new ATOM 0 HA GLN A 17 4.895 -11.515 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.388 -9.495 7.246 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.136 -11.124 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.163 -12.003 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.540 -10.349 5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.441 -12.502 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.380 -11.904 7.249 1.00 0.00 H new ATOM 279 N GLY A 18 2.585 -10.189 6.624 1.00 0.00 N ATOM 280 CA GLY A 18 1.367 -10.239 7.481 1.00 0.00 C ATOM 281 C GLY A 18 1.411 -9.112 8.516 1.00 0.00 C ATOM 282 O GLY A 18 0.534 -8.988 9.347 1.00 0.00 O ATOM 0 H GLY A 18 2.458 -9.744 5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.474 -10.143 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.305 -11.204 7.984 1.00 0.00 H new ATOM 286 N GLU A 19 2.421 -8.287 8.474 1.00 0.00 N ATOM 287 CA GLU A 19 2.507 -7.171 9.460 1.00 0.00 C ATOM 288 C GLU A 19 2.101 -5.852 8.801 1.00 0.00 C ATOM 289 O GLU A 19 2.671 -5.441 7.809 1.00 0.00 O ATOM 290 CB GLU A 19 3.973 -7.125 9.890 1.00 0.00 C ATOM 291 CG GLU A 19 4.258 -8.267 10.866 1.00 0.00 C ATOM 292 CD GLU A 19 5.753 -8.590 10.852 1.00 0.00 C ATOM 293 OE1 GLU A 19 6.518 -7.788 11.364 1.00 0.00 O ATOM 294 OE2 GLU A 19 6.109 -9.633 10.329 1.00 0.00 O ATOM 0 H GLU A 19 3.188 -8.336 7.803 1.00 0.00 H new ATOM 0 HA GLU A 19 1.841 -7.322 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.621 -7.209 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.194 -6.167 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.945 -7.986 11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.682 -9.150 10.588 1.00 0.00 H new ATOM 301 N ARG A 20 1.123 -5.184 9.343 1.00 0.00 N ATOM 302 CA ARG A 20 0.684 -3.889 8.747 1.00 0.00 C ATOM 303 C ARG A 20 1.691 -2.786 9.088 1.00 0.00 C ATOM 304 O ARG A 20 2.065 -2.605 10.228 1.00 0.00 O ATOM 305 CB ARG A 20 -0.673 -3.596 9.389 1.00 0.00 C ATOM 306 CG ARG A 20 -1.765 -4.384 8.658 1.00 0.00 C ATOM 307 CD ARG A 20 -2.594 -5.171 9.675 1.00 0.00 C ATOM 308 NE ARG A 20 -3.977 -5.172 9.123 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.801 -6.137 9.429 1.00 0.00 C ATOM 310 NH1 ARG A 20 -4.652 -7.317 8.892 1.00 0.00 N ATOM 311 NH2 ARG A 20 -5.775 -5.922 10.270 1.00 0.00 N ATOM 0 H ARG A 20 0.607 -5.477 10.173 1.00 0.00 H new ATOM 0 HA ARG A 20 0.617 -3.934 7.660 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.655 -3.871 10.444 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.887 -2.528 9.342 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.407 -3.703 8.099 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.315 -5.064 7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.215 -6.186 9.793 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.561 -4.702 10.659 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.280 -4.419 8.506 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.892 -7.485 8.233 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.296 -8.071 9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.893 -4.999 10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.419 -6.676 10.509 1.00 0.00 H new ATOM 325 N VAL A 21 2.137 -2.050 8.106 1.00 0.00 N ATOM 326 CA VAL A 21 3.121 -0.963 8.376 1.00 0.00 C ATOM 327 C VAL A 21 3.021 0.123 7.301 1.00 0.00 C ATOM 328 O VAL A 21 2.379 -0.052 6.285 1.00 0.00 O ATOM 329 CB VAL A 21 4.489 -1.644 8.318 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.631 -2.613 9.493 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.615 -2.416 7.004 1.00 0.00 C ATOM 0 H VAL A 21 1.863 -2.154 7.129 1.00 0.00 H new ATOM 0 HA VAL A 21 2.945 -0.478 9.336 1.00 0.00 H new ATOM 0 HB VAL A 21 5.273 -0.889 8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.607 -3.097 9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.540 -2.064 10.430 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.848 -3.369 9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.589 -2.903 6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.830 -3.170 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.516 -1.726 6.166 1.00 0.00 H new ATOM 341 N LYS A 22 3.656 1.243 7.516 1.00 0.00 N ATOM 342 CA LYS A 22 3.602 2.338 6.506 1.00 0.00 C ATOM 343 C LYS A 22 4.865 2.316 5.640 1.00 0.00 C ATOM 344 O LYS A 22 5.943 2.647 6.092 1.00 0.00 O ATOM 345 CB LYS A 22 3.537 3.628 7.326 1.00 0.00 C ATOM 346 CG LYS A 22 2.735 4.680 6.558 1.00 0.00 C ATOM 347 CD LYS A 22 1.287 4.211 6.411 1.00 0.00 C ATOM 348 CE LYS A 22 0.412 4.925 7.445 1.00 0.00 C ATOM 349 NZ LYS A 22 0.623 4.169 8.712 1.00 0.00 N ATOM 0 H LYS A 22 4.210 1.447 8.348 1.00 0.00 H new ATOM 0 HA LYS A 22 2.751 2.240 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.071 3.434 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.543 3.996 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.768 5.634 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.177 4.843 5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.925 4.422 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.227 3.132 6.551 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.703 5.970 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.637 4.916 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.217 4.264 9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.781 3.164 8.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.453 4.550 9.210 1.00 0.00 H new ATOM 363 N ILE A 23 4.742 1.926 4.400 1.00 0.00 N ATOM 364 CA ILE A 23 5.939 1.882 3.512 1.00 0.00 C ATOM 365 C ILE A 23 6.707 3.204 3.595 1.00 0.00 C ATOM 366 O ILE A 23 7.915 3.238 3.467 1.00 0.00 O ATOM 367 CB ILE A 23 5.382 1.673 2.105 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.540 1.428 1.133 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.607 2.918 1.671 1.00 0.00 C ATOM 370 CD1 ILE A 23 5.992 1.256 -0.284 1.00 0.00 C ATOM 0 H ILE A 23 3.866 1.637 3.964 1.00 0.00 H new ATOM 0 HA ILE A 23 6.635 1.092 3.795 1.00 0.00 H new ATOM 0 HB ILE A 23 4.714 0.812 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.238 2.265 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.095 0.538 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.210 2.768 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.784 3.094 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.274 3.780 1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.817 1.082 -0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.311 0.405 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.456 2.158 -0.579 1.00 0.00 H new ATOM 382 N GLN A 24 6.018 4.291 3.810 1.00 0.00 N ATOM 383 CA GLN A 24 6.715 5.606 3.903 1.00 0.00 C ATOM 384 C GLN A 24 7.521 5.682 5.202 1.00 0.00 C ATOM 385 O GLN A 24 8.273 6.610 5.424 1.00 0.00 O ATOM 386 CB GLN A 24 5.596 6.649 3.901 1.00 0.00 C ATOM 387 CG GLN A 24 4.790 6.538 5.197 1.00 0.00 C ATOM 388 CD GLN A 24 5.074 7.756 6.079 1.00 0.00 C ATOM 389 OE1 GLN A 24 5.792 8.653 5.684 1.00 0.00 O ATOM 390 NE2 GLN A 24 4.537 7.825 7.266 1.00 0.00 N ATOM 0 H GLN A 24 5.005 4.326 3.925 1.00 0.00 H new ATOM 0 HA GLN A 24 7.417 5.763 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.018 7.650 3.808 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.944 6.496 3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.725 6.479 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.055 5.623 5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.934 7.072 7.598 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.720 8.632 7.862 1.00 0.00 H new ATOM 399 N GLU A 25 7.372 4.710 6.060 1.00 0.00 N ATOM 400 CA GLU A 25 8.132 4.721 7.342 1.00 0.00 C ATOM 401 C GLU A 25 9.135 3.566 7.365 1.00 0.00 C ATOM 402 O GLU A 25 10.331 3.770 7.431 1.00 0.00 O ATOM 403 CB GLU A 25 7.076 4.533 8.430 1.00 0.00 C ATOM 404 CG GLU A 25 6.182 5.773 8.494 1.00 0.00 C ATOM 405 CD GLU A 25 6.786 6.787 9.466 1.00 0.00 C ATOM 406 OE1 GLU A 25 7.976 6.699 9.720 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.049 7.636 9.940 1.00 0.00 O ATOM 0 H GLU A 25 6.756 3.908 5.928 1.00 0.00 H new ATOM 0 HA GLU A 25 8.699 5.641 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.475 3.649 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.557 4.369 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.085 6.216 7.503 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.179 5.495 8.818 1.00 0.00 H new ATOM 414 N LYS A 26 8.655 2.354 7.305 1.00 0.00 N ATOM 415 CA LYS A 26 9.579 1.185 7.318 1.00 0.00 C ATOM 416 C LYS A 26 10.603 1.311 6.186 1.00 0.00 C ATOM 417 O LYS A 26 11.700 0.798 6.268 1.00 0.00 O ATOM 418 CB LYS A 26 8.677 -0.028 7.097 1.00 0.00 C ATOM 419 CG LYS A 26 9.400 -1.295 7.556 1.00 0.00 C ATOM 420 CD LYS A 26 8.423 -2.192 8.319 1.00 0.00 C ATOM 421 CE LYS A 26 8.895 -3.645 8.239 1.00 0.00 C ATOM 422 NZ LYS A 26 7.987 -4.393 9.152 1.00 0.00 N ATOM 0 H LYS A 26 7.663 2.123 7.248 1.00 0.00 H new ATOM 0 HA LYS A 26 10.143 1.109 8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.746 0.093 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.412 -0.110 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.804 -1.828 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.244 -1.034 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.360 -1.876 9.360 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.422 -2.100 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.832 -4.026 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.935 -3.740 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.399 -5.324 9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.865 -3.858 10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.062 -4.521 8.694 1.00 0.00 H new ATOM 436 N PHE A 27 10.250 1.993 5.131 1.00 0.00 N ATOM 437 CA PHE A 27 11.200 2.157 3.993 1.00 0.00 C ATOM 438 C PHE A 27 11.504 3.642 3.775 1.00 0.00 C ATOM 439 O PHE A 27 11.628 4.104 2.659 1.00 0.00 O ATOM 440 CB PHE A 27 10.472 1.573 2.783 1.00 0.00 C ATOM 441 CG PHE A 27 10.340 0.077 2.949 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.483 -0.731 2.936 1.00 0.00 C ATOM 443 CD2 PHE A 27 9.075 -0.501 3.114 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.361 -2.118 3.087 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.954 -1.887 3.265 1.00 0.00 C ATOM 446 CZ PHE A 27 10.097 -2.695 3.252 1.00 0.00 C ATOM 0 H PHE A 27 9.344 2.444 5.007 1.00 0.00 H new ATOM 0 HA PHE A 27 12.153 1.659 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.486 2.027 2.684 1.00 0.00 H new ATOM 0 HB3 PHE A 27 11.021 1.801 1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.458 -0.285 2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.193 0.123 3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.242 -2.742 3.076 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.979 -2.333 3.392 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.003 -3.764 3.369 1.00 0.00 H new ATOM 456 N LYS A 28 11.622 4.391 4.837 1.00 0.00 N ATOM 457 CA LYS A 28 11.915 5.847 4.698 1.00 0.00 C ATOM 458 C LYS A 28 13.039 6.074 3.684 1.00 0.00 C ATOM 459 O LYS A 28 13.052 7.056 2.969 1.00 0.00 O ATOM 460 CB LYS A 28 12.355 6.295 6.092 1.00 0.00 C ATOM 461 CG LYS A 28 11.801 7.691 6.377 1.00 0.00 C ATOM 462 CD LYS A 28 10.824 7.624 7.553 1.00 0.00 C ATOM 463 CE LYS A 28 10.481 9.041 8.016 1.00 0.00 C ATOM 464 NZ LYS A 28 10.866 9.078 9.455 1.00 0.00 N ATOM 0 H LYS A 28 11.528 4.058 5.796 1.00 0.00 H new ATOM 0 HA LYS A 28 11.051 6.407 4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.997 5.590 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.443 6.304 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.616 8.377 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.296 8.081 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.917 7.098 7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.265 7.059 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.029 9.788 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.420 9.253 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.661 10.020 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.324 8.361 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.883 8.879 9.548 1.00 0.00 H new ATOM 478 N ASN A 29 13.986 5.178 3.621 1.00 0.00 N ATOM 479 CA ASN A 29 15.110 5.350 2.655 1.00 0.00 C ATOM 480 C ASN A 29 14.965 4.374 1.485 1.00 0.00 C ATOM 481 O ASN A 29 15.886 3.658 1.143 1.00 0.00 O ATOM 482 CB ASN A 29 16.373 5.035 3.458 1.00 0.00 C ATOM 483 CG ASN A 29 16.650 6.170 4.446 1.00 0.00 C ATOM 484 OD1 ASN A 29 17.486 7.016 4.199 1.00 0.00 O ATOM 485 ND2 ASN A 29 15.980 6.223 5.565 1.00 0.00 N ATOM 0 H ASN A 29 14.031 4.336 4.195 1.00 0.00 H new ATOM 0 HA ASN A 29 15.133 6.353 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.250 4.094 3.995 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.222 4.909 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 29 16.159 6.974 6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 29 15.278 5.513 5.773 1.00 0.00 H new ATOM 492 N GLY A 30 13.818 4.340 0.865 1.00 0.00 N ATOM 493 CA GLY A 30 13.619 3.411 -0.284 1.00 0.00 C ATOM 494 C GLY A 30 13.396 1.990 0.235 1.00 0.00 C ATOM 495 O GLY A 30 13.643 1.694 1.388 1.00 0.00 O ATOM 0 H GLY A 30 13.010 4.915 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.763 3.730 -0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.489 3.437 -0.940 1.00 0.00 H new ATOM 499 N MET A 31 12.931 1.107 -0.606 1.00 0.00 N ATOM 500 CA MET A 31 12.693 -0.296 -0.161 1.00 0.00 C ATOM 501 C MET A 31 13.788 -1.216 -0.706 1.00 0.00 C ATOM 502 O MET A 31 14.465 -0.892 -1.662 1.00 0.00 O ATOM 503 CB MET A 31 11.335 -0.674 -0.754 1.00 0.00 C ATOM 504 CG MET A 31 10.293 0.375 -0.364 1.00 0.00 C ATOM 505 SD MET A 31 8.863 0.241 -1.463 1.00 0.00 S ATOM 506 CE MET A 31 8.063 -1.145 -0.619 1.00 0.00 C ATOM 0 H MET A 31 12.705 1.296 -1.583 1.00 0.00 H new ATOM 0 HA MET A 31 12.706 -0.393 0.925 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.408 -0.743 -1.839 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.030 -1.656 -0.392 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.985 0.229 0.671 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.724 1.374 -0.431 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.009 -1.178 -0.893 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.544 -2.077 -0.914 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.153 -1.015 0.459 1.00 0.00 H new ATOM 516 N LEU A 32 13.967 -2.361 -0.107 1.00 0.00 N ATOM 517 CA LEU A 32 15.017 -3.300 -0.595 1.00 0.00 C ATOM 518 C LEU A 32 14.590 -3.912 -1.932 1.00 0.00 C ATOM 519 O LEU A 32 13.418 -3.990 -2.242 1.00 0.00 O ATOM 520 CB LEU A 32 15.116 -4.379 0.483 1.00 0.00 C ATOM 521 CG LEU A 32 15.625 -3.758 1.784 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.063 -4.533 2.977 1.00 0.00 C ATOM 523 CD2 LEU A 32 17.153 -3.820 1.813 1.00 0.00 C ATOM 0 H LEU A 32 13.433 -2.687 0.698 1.00 0.00 H new ATOM 0 HA LEU A 32 15.974 -2.804 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.140 -4.837 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.790 -5.171 0.158 1.00 0.00 H new ATOM 0 HG LEU A 32 15.300 -2.719 1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.427 -4.089 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.974 -4.491 2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.387 -5.572 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.518 -3.378 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.476 -4.859 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.556 -3.267 0.964 1.00 0.00 H new ATOM 535 N HIS A 33 15.530 -4.344 -2.728 1.00 0.00 N ATOM 536 CA HIS A 33 15.170 -4.948 -4.043 1.00 0.00 C ATOM 537 C HIS A 33 14.541 -6.329 -3.834 1.00 0.00 C ATOM 538 O HIS A 33 14.938 -7.076 -2.963 1.00 0.00 O ATOM 539 CB HIS A 33 16.492 -5.067 -4.800 1.00 0.00 C ATOM 540 CG HIS A 33 16.290 -5.896 -6.040 1.00 0.00 C ATOM 541 ND1 HIS A 33 16.168 -5.326 -7.297 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.190 -7.251 -6.231 1.00 0.00 C ATOM 543 CE1 HIS A 33 16.003 -6.327 -8.182 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.009 -7.522 -7.585 1.00 0.00 N ATOM 0 H HIS A 33 16.529 -4.305 -2.526 1.00 0.00 H new ATOM 0 HA HIS A 33 14.443 -4.348 -4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.860 -4.077 -5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.248 -5.526 -4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 33 16.244 -7.995 -5.450 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.881 -6.182 -9.245 1.00 0.00 H new ATOM 0 HE2 HIS A 33 15.904 -8.436 -8.026 1.00 0.00 H new ATOM 552 N GLY A 34 13.566 -6.673 -4.630 1.00 0.00 N ATOM 553 CA GLY A 34 12.914 -8.007 -4.478 1.00 0.00 C ATOM 554 C GLY A 34 11.995 -8.000 -3.253 1.00 0.00 C ATOM 555 O GLY A 34 11.479 -9.024 -2.850 1.00 0.00 O ATOM 0 H GLY A 34 13.192 -6.090 -5.379 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.340 -8.245 -5.373 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.673 -8.782 -4.370 1.00 0.00 H new ATOM 559 N ASP A 35 11.783 -6.857 -2.659 1.00 0.00 N ATOM 560 CA ASP A 35 10.894 -6.795 -1.462 1.00 0.00 C ATOM 561 C ASP A 35 9.444 -7.072 -1.871 1.00 0.00 C ATOM 562 O ASP A 35 9.091 -6.982 -3.030 1.00 0.00 O ATOM 563 CB ASP A 35 11.040 -5.369 -0.932 1.00 0.00 C ATOM 564 CG ASP A 35 11.847 -5.388 0.367 1.00 0.00 C ATOM 565 OD1 ASP A 35 12.514 -6.379 0.612 1.00 0.00 O ATOM 566 OD2 ASP A 35 11.784 -4.411 1.096 1.00 0.00 O ATOM 0 H ASP A 35 12.185 -5.966 -2.949 1.00 0.00 H new ATOM 0 HA ASP A 35 11.160 -7.536 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.538 -4.743 -1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.057 -4.933 -0.756 1.00 0.00 H new ATOM 571 N LYS A 36 8.601 -7.409 -0.934 1.00 0.00 N ATOM 572 CA LYS A 36 7.180 -7.690 -1.285 1.00 0.00 C ATOM 573 C LYS A 36 6.237 -7.073 -0.246 1.00 0.00 C ATOM 574 O LYS A 36 6.353 -7.321 0.938 1.00 0.00 O ATOM 575 CB LYS A 36 7.060 -9.214 -1.276 1.00 0.00 C ATOM 576 CG LYS A 36 7.609 -9.777 -2.588 1.00 0.00 C ATOM 577 CD LYS A 36 6.848 -11.054 -2.955 1.00 0.00 C ATOM 578 CE LYS A 36 7.552 -12.263 -2.334 1.00 0.00 C ATOM 579 NZ LYS A 36 6.454 -13.114 -1.797 1.00 0.00 N ATOM 0 H LYS A 36 8.833 -7.502 0.055 1.00 0.00 H new ATOM 0 HA LYS A 36 6.907 -7.264 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.611 -9.628 -0.432 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.018 -9.507 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.507 -9.039 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.673 -9.992 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.821 -10.994 -2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.801 -11.164 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.141 -12.801 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.237 -11.958 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.858 -13.964 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.914 -12.578 -1.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.821 -13.395 -2.573 1.00 0.00 H new ATOM 593 N VAL A 37 5.303 -6.275 -0.684 1.00 0.00 N ATOM 594 CA VAL A 37 4.347 -5.644 0.274 1.00 0.00 C ATOM 595 C VAL A 37 2.937 -5.629 -0.327 1.00 0.00 C ATOM 596 O VAL A 37 2.762 -5.425 -1.510 1.00 0.00 O ATOM 597 CB VAL A 37 4.865 -4.220 0.474 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.375 -4.257 0.718 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.572 -3.388 -0.776 1.00 0.00 C ATOM 0 H VAL A 37 5.159 -6.031 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 37 4.285 -6.186 1.217 1.00 0.00 H new ATOM 0 HB VAL A 37 4.367 -3.771 1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.745 -3.242 0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.585 -4.849 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.872 -4.707 -0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.942 -2.373 -0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.069 -3.837 -1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.497 -3.361 -0.951 1.00 0.00 H new ATOM 609 N SER A 38 1.930 -5.846 0.476 1.00 0.00 N ATOM 610 CA SER A 38 0.538 -5.846 -0.063 1.00 0.00 C ATOM 611 C SER A 38 -0.151 -4.508 0.222 1.00 0.00 C ATOM 612 O SER A 38 0.032 -3.914 1.265 1.00 0.00 O ATOM 613 CB SER A 38 -0.177 -6.976 0.676 1.00 0.00 C ATOM 614 OG SER A 38 0.788 -7.873 1.208 1.00 0.00 O ATOM 0 H SER A 38 2.010 -6.023 1.477 1.00 0.00 H new ATOM 0 HA SER A 38 0.523 -5.986 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.793 -6.569 1.478 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.846 -7.504 -0.003 1.00 0.00 H new ATOM 0 HG SER A 38 0.821 -8.683 0.657 1.00 0.00 H new ATOM 620 N PHE A 39 -0.949 -4.036 -0.697 1.00 0.00 N ATOM 621 CA PHE A 39 -1.656 -2.741 -0.478 1.00 0.00 C ATOM 622 C PHE A 39 -3.133 -2.999 -0.160 1.00 0.00 C ATOM 623 O PHE A 39 -3.745 -3.895 -0.704 1.00 0.00 O ATOM 624 CB PHE A 39 -1.518 -1.983 -1.797 1.00 0.00 C ATOM 625 CG PHE A 39 -0.149 -1.346 -1.876 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.942 -2.087 -2.347 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.027 -0.014 -1.483 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.209 -1.497 -2.424 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.293 0.576 -1.560 1.00 0.00 C ATOM 630 CZ PHE A 39 2.385 -0.165 -2.029 1.00 0.00 C ATOM 0 H PHE A 39 -1.142 -4.490 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.240 -2.178 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.662 -2.664 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.291 -1.218 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.806 -3.114 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.814 0.558 -1.120 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.050 -2.069 -2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.428 1.604 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.363 0.291 -2.086 1.00 0.00 H new ATOM 640 N PHE A 40 -3.710 -2.225 0.719 1.00 0.00 N ATOM 641 CA PHE A 40 -5.145 -2.436 1.065 1.00 0.00 C ATOM 642 C PHE A 40 -6.048 -1.770 0.022 1.00 0.00 C ATOM 643 O PHE A 40 -5.993 -0.574 -0.187 1.00 0.00 O ATOM 644 CB PHE A 40 -5.333 -1.768 2.429 1.00 0.00 C ATOM 645 CG PHE A 40 -4.780 -2.661 3.515 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.359 -3.914 3.754 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.691 -2.235 4.284 1.00 0.00 C ATOM 648 CE1 PHE A 40 -4.847 -4.740 4.762 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.180 -3.062 5.292 1.00 0.00 C ATOM 650 CZ PHE A 40 -3.758 -4.314 5.531 1.00 0.00 C ATOM 0 H PHE A 40 -3.252 -1.458 1.211 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.406 -3.494 1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.826 -0.803 2.445 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.391 -1.575 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.200 -4.243 3.161 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.245 -1.269 4.100 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.293 -5.706 4.946 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.339 -2.733 5.885 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.364 -4.951 6.309 1.00 0.00 H new ATOM 660 N CYS A 41 -6.882 -2.533 -0.630 1.00 0.00 N ATOM 661 CA CYS A 41 -7.790 -1.941 -1.653 1.00 0.00 C ATOM 662 C CYS A 41 -9.219 -2.448 -1.444 1.00 0.00 C ATOM 663 O CYS A 41 -9.436 -3.504 -0.883 1.00 0.00 O ATOM 664 CB CYS A 41 -7.245 -2.422 -2.998 1.00 0.00 C ATOM 665 SG CYS A 41 -5.657 -1.621 -3.333 1.00 0.00 S ATOM 0 H CYS A 41 -6.974 -3.540 -0.499 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.823 -0.853 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.122 -3.505 -2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.955 -2.191 -3.793 1.00 0.00 H new ATOM 0 HG CYS A 41 -5.195 -2.034 -4.476 1.00 0.00 H new ATOM 670 N LYS A 42 -10.196 -1.705 -1.887 1.00 0.00 N ATOM 671 CA LYS A 42 -11.607 -2.151 -1.709 1.00 0.00 C ATOM 672 C LYS A 42 -12.206 -2.584 -3.048 1.00 0.00 C ATOM 673 O LYS A 42 -11.900 -2.031 -4.086 1.00 0.00 O ATOM 674 CB LYS A 42 -12.348 -0.931 -1.161 1.00 0.00 C ATOM 675 CG LYS A 42 -12.000 0.301 -1.997 1.00 0.00 C ATOM 676 CD LYS A 42 -12.983 1.429 -1.674 1.00 0.00 C ATOM 677 CE LYS A 42 -12.332 2.403 -0.689 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.933 3.728 -1.009 1.00 0.00 N ATOM 0 H LYS A 42 -10.079 -0.811 -2.363 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.681 -3.008 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.424 -1.106 -1.184 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.074 -0.765 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.980 0.621 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.044 0.058 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.266 1.953 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.897 1.018 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.534 2.116 0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.249 2.421 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.537 4.451 -0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.718 3.977 -1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.964 3.682 -0.880 1.00 0.00 H new ATOM 692 N ASN A 43 -13.060 -3.568 -3.028 1.00 0.00 N ATOM 693 CA ASN A 43 -13.686 -4.043 -4.296 1.00 0.00 C ATOM 694 C ASN A 43 -15.095 -3.456 -4.436 1.00 0.00 C ATOM 695 O ASN A 43 -15.834 -3.358 -3.476 1.00 0.00 O ATOM 696 CB ASN A 43 -13.747 -5.564 -4.156 1.00 0.00 C ATOM 697 CG ASN A 43 -13.678 -6.209 -5.541 1.00 0.00 C ATOM 698 OD1 ASN A 43 -14.567 -6.037 -6.350 1.00 0.00 O ATOM 699 ND2 ASN A 43 -12.650 -6.953 -5.852 1.00 0.00 N ATOM 0 H ASN A 43 -13.353 -4.066 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.125 -3.738 -5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.921 -5.916 -3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.669 -5.856 -3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.595 -7.388 -6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.902 -7.099 -5.174 1.00 0.00 H new ATOM 706 N LYS A 44 -15.470 -3.060 -5.621 1.00 0.00 N ATOM 707 CA LYS A 44 -16.829 -2.476 -5.814 1.00 0.00 C ATOM 708 C LYS A 44 -17.843 -3.576 -6.144 1.00 0.00 C ATOM 709 O LYS A 44 -19.026 -3.431 -5.910 1.00 0.00 O ATOM 710 CB LYS A 44 -16.681 -1.511 -6.991 1.00 0.00 C ATOM 711 CG LYS A 44 -16.458 -0.093 -6.463 1.00 0.00 C ATOM 712 CD LYS A 44 -17.757 0.708 -6.585 1.00 0.00 C ATOM 713 CE LYS A 44 -17.471 2.189 -6.327 1.00 0.00 C ATOM 714 NZ LYS A 44 -17.142 2.756 -7.665 1.00 0.00 N ATOM 0 H LYS A 44 -14.896 -3.115 -6.463 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.192 -1.974 -4.917 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -15.843 -1.813 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -17.574 -1.542 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.136 -0.128 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.663 0.395 -7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -18.185 0.577 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.492 0.339 -5.870 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.336 2.688 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.643 2.316 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.934 3.770 -7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.311 2.267 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.951 2.627 -8.305 1.00 0.00 H new ATOM 728 N GLU A 45 -17.392 -4.674 -6.688 1.00 0.00 N ATOM 729 CA GLU A 45 -18.335 -5.779 -7.030 1.00 0.00 C ATOM 730 C GLU A 45 -18.517 -6.710 -5.830 1.00 0.00 C ATOM 731 O GLU A 45 -19.475 -7.453 -5.749 1.00 0.00 O ATOM 732 CB GLU A 45 -17.672 -6.523 -8.188 1.00 0.00 C ATOM 733 CG GLU A 45 -18.576 -6.462 -9.420 1.00 0.00 C ATOM 734 CD GLU A 45 -17.958 -7.291 -10.547 1.00 0.00 C ATOM 735 OE1 GLU A 45 -17.188 -6.733 -11.313 1.00 0.00 O ATOM 736 OE2 GLU A 45 -18.264 -8.469 -10.627 1.00 0.00 O ATOM 0 H GLU A 45 -16.413 -4.854 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.324 -5.408 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.703 -6.077 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.489 -7.561 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.568 -6.843 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.702 -5.428 -9.741 1.00 0.00 H new ATOM 743 N LYS A 46 -17.605 -6.679 -4.898 1.00 0.00 N ATOM 744 CA LYS A 46 -17.729 -7.565 -3.706 1.00 0.00 C ATOM 745 C LYS A 46 -18.080 -6.739 -2.465 1.00 0.00 C ATOM 746 O LYS A 46 -18.536 -7.263 -1.469 1.00 0.00 O ATOM 747 CB LYS A 46 -16.351 -8.209 -3.549 1.00 0.00 C ATOM 748 CG LYS A 46 -15.888 -8.764 -4.897 1.00 0.00 C ATOM 749 CD LYS A 46 -14.633 -9.616 -4.696 1.00 0.00 C ATOM 750 CE LYS A 46 -13.978 -9.891 -6.052 1.00 0.00 C ATOM 751 NZ LYS A 46 -14.833 -10.934 -6.686 1.00 0.00 N ATOM 0 H LYS A 46 -16.780 -6.079 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.517 -8.309 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.635 -7.474 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.394 -9.009 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.679 -9.364 -5.346 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.678 -7.946 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -13.932 -9.100 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.893 -10.556 -4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -13.938 -8.988 -6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.952 -10.240 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.238 -11.729 -6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.534 -11.275 -5.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -15.325 -10.528 -7.507 1.00 0.00 H new ATOM 765 N LYS A 47 -17.868 -5.451 -2.519 1.00 0.00 N ATOM 766 CA LYS A 47 -18.184 -4.586 -1.346 1.00 0.00 C ATOM 767 C LYS A 47 -17.275 -4.940 -0.165 1.00 0.00 C ATOM 768 O LYS A 47 -17.634 -4.764 0.982 1.00 0.00 O ATOM 769 CB LYS A 47 -19.645 -4.876 -1.006 1.00 0.00 C ATOM 770 CG LYS A 47 -20.480 -4.896 -2.288 1.00 0.00 C ATOM 771 CD LYS A 47 -21.886 -4.373 -1.989 1.00 0.00 C ATOM 772 CE LYS A 47 -21.983 -2.900 -2.396 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.443 -2.622 -2.494 1.00 0.00 N ATOM 0 H LYS A 47 -17.488 -4.959 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.025 -3.530 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.726 -5.835 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.027 -4.117 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.006 -4.280 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.534 -5.910 -2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -22.627 -4.960 -2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -22.108 -4.483 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -21.507 -2.255 -1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -21.482 -2.720 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.590 -1.630 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.868 -3.246 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.892 -2.795 -1.572 1.00 0.00 H new ATOM 787 N CYS A 48 -16.099 -5.432 -0.438 1.00 0.00 N ATOM 788 CA CYS A 48 -15.160 -5.790 0.668 1.00 0.00 C ATOM 789 C CYS A 48 -13.752 -5.329 0.311 1.00 0.00 C ATOM 790 O CYS A 48 -13.513 -4.818 -0.765 1.00 0.00 O ATOM 791 CB CYS A 48 -15.182 -7.324 0.827 1.00 0.00 C ATOM 792 SG CYS A 48 -16.132 -8.132 -0.495 1.00 0.00 S ATOM 0 H CYS A 48 -15.745 -5.603 -1.379 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.460 -5.307 1.598 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.160 -7.704 0.823 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.614 -7.582 1.794 1.00 0.00 H new ATOM 797 N SER A 49 -12.816 -5.505 1.197 1.00 0.00 N ATOM 798 CA SER A 49 -11.428 -5.070 0.889 1.00 0.00 C ATOM 799 C SER A 49 -10.488 -6.271 0.833 1.00 0.00 C ATOM 800 O SER A 49 -10.823 -7.364 1.243 1.00 0.00 O ATOM 801 CB SER A 49 -11.038 -4.141 2.029 1.00 0.00 C ATOM 802 OG SER A 49 -11.446 -4.714 3.265 1.00 0.00 O ATOM 0 H SER A 49 -12.950 -5.928 2.115 1.00 0.00 H new ATOM 0 HA SER A 49 -11.363 -4.576 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.960 -3.979 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.507 -3.166 1.895 1.00 0.00 H new ATOM 0 HG SER A 49 -10.662 -4.854 3.835 1.00 0.00 H new ATOM 808 N TYR A 50 -9.310 -6.066 0.323 1.00 0.00 N ATOM 809 CA TYR A 50 -8.328 -7.179 0.226 1.00 0.00 C ATOM 810 C TYR A 50 -6.919 -6.608 0.059 1.00 0.00 C ATOM 811 O TYR A 50 -6.746 -5.432 -0.191 1.00 0.00 O ATOM 812 CB TYR A 50 -8.746 -7.959 -1.021 1.00 0.00 C ATOM 813 CG TYR A 50 -8.951 -6.996 -2.166 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.175 -6.333 -2.315 1.00 0.00 C ATOM 815 CD2 TYR A 50 -7.913 -6.763 -3.077 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.360 -5.437 -3.376 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.099 -5.869 -4.137 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.322 -5.205 -4.287 1.00 0.00 C ATOM 819 OH TYR A 50 -9.506 -4.322 -5.331 1.00 0.00 O ATOM 0 H TYR A 50 -8.982 -5.169 -0.034 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.315 -7.811 1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.981 -8.692 -1.279 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.665 -8.512 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -10.976 -6.512 -1.613 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.968 -7.274 -2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.304 -4.925 -3.491 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.299 -5.691 -4.840 1.00 0.00 H new ATOM 0 HH TYR A 50 -8.688 -4.276 -5.869 1.00 0.00 H new ATOM 829 N THR A 51 -5.910 -7.422 0.189 1.00 0.00 N ATOM 830 CA THR A 51 -4.523 -6.902 0.031 1.00 0.00 C ATOM 831 C THR A 51 -3.987 -7.230 -1.361 1.00 0.00 C ATOM 832 O THR A 51 -4.265 -8.272 -1.920 1.00 0.00 O ATOM 833 CB THR A 51 -3.696 -7.616 1.095 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.944 -9.014 1.028 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.079 -7.090 2.479 1.00 0.00 C ATOM 0 H THR A 51 -5.984 -8.418 0.396 1.00 0.00 H new ATOM 0 HA THR A 51 -4.483 -5.819 0.144 1.00 0.00 H new ATOM 0 HB THR A 51 -2.637 -7.428 0.920 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.412 -9.474 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.488 -7.601 3.239 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.885 -6.019 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.138 -7.275 2.658 1.00 0.00 H new ATOM 843 N GLU A 52 -3.211 -6.347 -1.918 1.00 0.00 N ATOM 844 CA GLU A 52 -2.640 -6.603 -3.270 1.00 0.00 C ATOM 845 C GLU A 52 -1.117 -6.705 -3.171 1.00 0.00 C ATOM 846 O GLU A 52 -0.405 -5.742 -3.376 1.00 0.00 O ATOM 847 CB GLU A 52 -3.047 -5.395 -4.115 1.00 0.00 C ATOM 848 CG GLU A 52 -4.059 -5.835 -5.175 1.00 0.00 C ATOM 849 CD GLU A 52 -3.451 -6.940 -6.040 1.00 0.00 C ATOM 850 OE1 GLU A 52 -2.257 -7.169 -5.922 1.00 0.00 O ATOM 851 OE2 GLU A 52 -4.187 -7.537 -6.808 1.00 0.00 O ATOM 0 H GLU A 52 -2.946 -5.457 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.000 -7.534 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.481 -4.623 -3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.170 -4.959 -4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.969 -6.195 -4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.341 -4.986 -5.798 1.00 0.00 H new ATOM 858 N ASP A 53 -0.617 -7.864 -2.844 1.00 0.00 N ATOM 859 CA ASP A 53 0.858 -8.033 -2.714 1.00 0.00 C ATOM 860 C ASP A 53 1.590 -7.292 -3.834 1.00 0.00 C ATOM 861 O ASP A 53 1.127 -7.216 -4.955 1.00 0.00 O ATOM 862 CB ASP A 53 1.100 -9.535 -2.827 1.00 0.00 C ATOM 863 CG ASP A 53 0.275 -10.269 -1.769 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.897 -10.500 -2.015 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.829 -10.585 -0.729 1.00 0.00 O ATOM 0 H ASP A 53 -1.167 -8.703 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 53 1.229 -7.626 -1.773 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.826 -9.884 -3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.159 -9.754 -2.693 1.00 0.00 H new ATOM 870 N ALA A 54 2.737 -6.754 -3.532 1.00 0.00 N ATOM 871 CA ALA A 54 3.524 -6.019 -4.564 1.00 0.00 C ATOM 872 C ALA A 54 4.983 -6.479 -4.521 1.00 0.00 C ATOM 873 O ALA A 54 5.375 -7.234 -3.653 1.00 0.00 O ATOM 874 CB ALA A 54 3.408 -4.544 -4.175 1.00 0.00 C ATOM 0 H ALA A 54 3.168 -6.791 -2.608 1.00 0.00 H new ATOM 0 HA ALA A 54 3.161 -6.196 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.963 -3.935 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.359 -4.247 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.819 -4.398 -3.176 1.00 0.00 H new ATOM 880 N GLN A 55 5.791 -6.039 -5.446 1.00 0.00 N ATOM 881 CA GLN A 55 7.220 -6.469 -5.438 1.00 0.00 C ATOM 882 C GLN A 55 8.140 -5.275 -5.698 1.00 0.00 C ATOM 883 O GLN A 55 7.744 -4.287 -6.283 1.00 0.00 O ATOM 884 CB GLN A 55 7.339 -7.492 -6.566 1.00 0.00 C ATOM 885 CG GLN A 55 8.502 -8.439 -6.267 1.00 0.00 C ATOM 886 CD GLN A 55 8.839 -9.255 -7.517 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.929 -9.160 -8.044 1.00 0.00 O ATOM 888 NE2 GLN A 55 7.942 -10.061 -8.016 1.00 0.00 N ATOM 0 H GLN A 55 5.528 -5.406 -6.201 1.00 0.00 H new ATOM 0 HA GLN A 55 7.513 -6.889 -4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.411 -8.056 -6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.503 -6.985 -7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.374 -7.869 -5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.238 -9.106 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.026 -10.141 -7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.157 -10.611 -8.848 1.00 0.00 H new ATOM 897 N CYS A 56 9.369 -5.357 -5.262 1.00 0.00 N ATOM 898 CA CYS A 56 10.315 -4.232 -5.477 1.00 0.00 C ATOM 899 C CYS A 56 11.418 -4.649 -6.452 1.00 0.00 C ATOM 900 O CYS A 56 11.820 -5.794 -6.500 1.00 0.00 O ATOM 901 CB CYS A 56 10.898 -3.955 -4.095 1.00 0.00 C ATOM 902 SG CYS A 56 10.651 -2.212 -3.677 1.00 0.00 S ATOM 0 H CYS A 56 9.756 -6.159 -4.765 1.00 0.00 H new ATOM 0 HA CYS A 56 9.832 -3.354 -5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.417 -4.590 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.961 -4.197 -4.081 1.00 0.00 H new ATOM 907 N ILE A 57 11.906 -3.727 -7.232 1.00 0.00 N ATOM 908 CA ILE A 57 12.980 -4.061 -8.208 1.00 0.00 C ATOM 909 C ILE A 57 14.014 -2.933 -8.263 1.00 0.00 C ATOM 910 O ILE A 57 13.860 -1.903 -7.636 1.00 0.00 O ATOM 911 CB ILE A 57 12.261 -4.202 -9.551 1.00 0.00 C ATOM 912 CG1 ILE A 57 11.102 -5.192 -9.406 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.238 -4.719 -10.608 1.00 0.00 C ATOM 914 CD1 ILE A 57 11.658 -6.596 -9.161 1.00 0.00 C ATOM 0 H ILE A 57 11.606 -2.752 -7.236 1.00 0.00 H new ATOM 0 HA ILE A 57 13.519 -4.969 -7.938 1.00 0.00 H new ATOM 0 HB ILE A 57 11.877 -3.229 -9.858 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.457 -4.895 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.488 -5.184 -10.307 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.722 -4.818 -11.563 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.065 -4.017 -10.714 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.624 -5.691 -10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.833 -7.301 -9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 57 12.284 -6.891 -10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.253 -6.597 -8.248 1.00 0.00 H new ATOM 926 N ASP A 58 15.069 -3.130 -9.002 1.00 0.00 N ATOM 927 CA ASP A 58 16.133 -2.086 -9.106 1.00 0.00 C ATOM 928 C ASP A 58 15.530 -0.677 -9.148 1.00 0.00 C ATOM 929 O ASP A 58 15.066 -0.217 -10.172 1.00 0.00 O ATOM 930 CB ASP A 58 16.850 -2.392 -10.418 1.00 0.00 C ATOM 931 CG ASP A 58 18.315 -1.966 -10.310 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.049 -2.618 -9.587 1.00 0.00 O ATOM 933 OD2 ASP A 58 18.677 -0.994 -10.953 1.00 0.00 O ATOM 0 H ASP A 58 15.244 -3.976 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 58 16.802 -2.107 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.785 -3.457 -10.640 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.367 -1.865 -11.241 1.00 0.00 H new ATOM 938 N GLY A 59 15.551 0.013 -8.040 1.00 0.00 N ATOM 939 CA GLY A 59 15.001 1.399 -8.002 1.00 0.00 C ATOM 940 C GLY A 59 13.673 1.470 -8.759 1.00 0.00 C ATOM 941 O GLY A 59 13.275 2.518 -9.227 1.00 0.00 O ATOM 0 H GLY A 59 15.928 -0.325 -7.155 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.854 1.710 -6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.716 2.093 -8.445 1.00 0.00 H new ATOM 945 N THR A 60 12.978 0.373 -8.883 1.00 0.00 N ATOM 946 CA THR A 60 11.675 0.405 -9.609 1.00 0.00 C ATOM 947 C THR A 60 10.631 -0.427 -8.864 1.00 0.00 C ATOM 948 O THR A 60 10.950 -1.396 -8.213 1.00 0.00 O ATOM 949 CB THR A 60 11.965 -0.209 -10.978 1.00 0.00 C ATOM 950 OG1 THR A 60 12.863 0.629 -11.691 1.00 0.00 O ATOM 951 CG2 THR A 60 10.659 -0.344 -11.760 1.00 0.00 C ATOM 0 H THR A 60 13.252 -0.538 -8.516 1.00 0.00 H new ATOM 0 HA THR A 60 11.277 1.417 -9.691 1.00 0.00 H new ATOM 0 HB THR A 60 12.414 -1.194 -10.849 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.768 0.519 -11.332 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.864 -0.782 -12.737 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.971 -0.987 -11.211 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.210 0.640 -11.890 1.00 0.00 H new ATOM 959 N ILE A 61 9.387 -0.058 -8.959 1.00 0.00 N ATOM 960 CA ILE A 61 8.323 -0.836 -8.261 1.00 0.00 C ATOM 961 C ILE A 61 6.961 -0.539 -8.890 1.00 0.00 C ATOM 962 O ILE A 61 6.655 0.586 -9.233 1.00 0.00 O ATOM 963 CB ILE A 61 8.369 -0.377 -6.799 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.054 -0.741 -6.104 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.576 1.138 -6.731 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.356 -1.454 -4.785 1.00 0.00 C ATOM 0 H ILE A 61 9.058 0.749 -9.489 1.00 0.00 H new ATOM 0 HA ILE A 61 8.479 -1.912 -8.340 1.00 0.00 H new ATOM 0 HB ILE A 61 9.199 -0.875 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.467 0.159 -5.918 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.455 -1.384 -6.749 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.607 1.455 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.516 1.399 -7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.753 1.641 -7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.421 -1.714 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.925 -2.362 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.938 -0.795 -4.140 1.00 0.00 H new ATOM 978 N GLU A 62 6.143 -1.541 -9.052 1.00 0.00 N ATOM 979 CA GLU A 62 4.804 -1.320 -9.668 1.00 0.00 C ATOM 980 C GLU A 62 3.703 -1.426 -8.612 1.00 0.00 C ATOM 981 O GLU A 62 3.456 -2.481 -8.061 1.00 0.00 O ATOM 982 CB GLU A 62 4.659 -2.435 -10.704 1.00 0.00 C ATOM 983 CG GLU A 62 5.547 -2.131 -11.912 1.00 0.00 C ATOM 984 CD GLU A 62 6.604 -3.227 -12.058 1.00 0.00 C ATOM 985 OE1 GLU A 62 7.424 -3.355 -11.164 1.00 0.00 O ATOM 986 OE2 GLU A 62 6.575 -3.920 -13.062 1.00 0.00 O ATOM 0 H GLU A 62 6.344 -2.505 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 62 4.717 -0.329 -10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.940 -3.392 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.619 -2.521 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.941 -2.073 -12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.029 -1.161 -11.788 1.00 0.00 H new ATOM 993 N VAL A 63 3.035 -0.342 -8.327 1.00 0.00 N ATOM 994 CA VAL A 63 1.947 -0.382 -7.310 1.00 0.00 C ATOM 995 C VAL A 63 0.663 -0.938 -7.941 1.00 0.00 C ATOM 996 O VAL A 63 0.382 -0.673 -9.093 1.00 0.00 O ATOM 997 CB VAL A 63 1.749 1.075 -6.886 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.046 1.843 -8.007 1.00 0.00 C ATOM 999 CG2 VAL A 63 0.894 1.128 -5.619 1.00 0.00 C ATOM 0 H VAL A 63 3.196 0.570 -8.755 1.00 0.00 H new ATOM 0 HA VAL A 63 2.192 -1.022 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 63 2.720 1.529 -6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.905 2.881 -7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.656 1.808 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.076 1.388 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.754 2.166 -5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.077 0.673 -5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.395 0.583 -4.819 1.00 0.00 H new ATOM 1009 N PRO A 64 -0.079 -1.698 -7.171 1.00 0.00 N ATOM 1010 CA PRO A 64 -1.340 -2.290 -7.675 1.00 0.00 C ATOM 1011 C PRO A 64 -2.324 -1.192 -8.091 1.00 0.00 C ATOM 1012 O PRO A 64 -2.553 -0.243 -7.367 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.855 -3.070 -6.462 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.861 -2.893 -5.299 1.00 0.00 C ATOM 1015 CD PRO A 64 0.295 -2.001 -5.769 1.00 0.00 C ATOM 0 HA PRO A 64 -1.209 -2.914 -8.559 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.842 -2.709 -6.173 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.961 -4.126 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.360 -2.443 -4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.482 -3.862 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.379 -1.096 -5.167 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.254 -2.515 -5.707 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.913 1.038 1.953 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.498 -0.391 2.106 1.00 0.00 C ATOM 1274 C ALA A 80 -8.486 -0.536 3.244 1.00 0.00 C ATOM 1275 O ALA A 80 -8.413 -1.558 3.899 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.855 -0.758 0.769 1.00 0.00 C ATOM 0 HA ALA A 80 -10.339 -1.040 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.522 -1.795 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.584 -0.633 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.000 -0.107 0.586 1.00 0.00 H new ATOM 1282 N SER A 81 -7.704 0.479 3.483 1.00 0.00 N ATOM 1283 CA SER A 81 -6.692 0.406 4.576 1.00 0.00 C ATOM 1284 C SER A 81 -7.351 -0.009 5.898 1.00 0.00 C ATOM 1285 O SER A 81 -6.710 -0.556 6.773 1.00 0.00 O ATOM 1286 CB SER A 81 -6.126 1.821 4.685 1.00 0.00 C ATOM 1287 OG SER A 81 -6.839 2.536 5.685 1.00 0.00 O ATOM 0 H SER A 81 -7.721 1.359 2.968 1.00 0.00 H new ATOM 0 HA SER A 81 -5.919 -0.333 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.066 1.783 4.935 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.209 2.333 3.726 1.00 0.00 H new ATOM 0 HG SER A 81 -6.477 3.444 5.759 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.622 0.252 6.057 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.301 -0.126 7.333 1.00 0.00 C ATOM 1295 C ASP A 82 -10.635 -0.826 7.054 1.00 0.00 C ATOM 1296 O ASP A 82 -11.566 -0.734 7.830 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.540 1.196 8.060 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.196 1.843 8.404 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.189 1.164 8.297 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.199 3.006 8.770 1.00 0.00 O ATOM 0 H ASP A 82 -9.216 0.707 5.364 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.700 -0.820 7.921 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.128 1.866 7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.116 1.024 8.969 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.739 -1.526 5.960 1.00 0.00 N ATOM 1306 CA VAL A 83 -12.017 -2.231 5.648 1.00 0.00 C ATOM 1307 C VAL A 83 -11.901 -3.715 6.001 1.00 0.00 C ATOM 1308 O VAL A 83 -10.818 -4.257 6.092 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.216 -2.054 4.145 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.536 -2.703 3.724 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.253 -0.562 3.807 1.00 0.00 C ATOM 0 H VAL A 83 -9.998 -1.642 5.269 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.856 -1.832 6.218 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.391 -2.528 3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.678 -2.576 2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.512 -3.766 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.360 -2.230 4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.395 -0.435 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.077 -0.088 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.313 -0.098 4.106 1.00 0.00 H new ATOM 1321 N LYS A 84 -13.008 -4.377 6.200 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.954 -5.826 6.543 1.00 0.00 C ATOM 1323 C LYS A 84 -12.706 -6.651 5.273 1.00 0.00 C ATOM 1324 O LYS A 84 -13.337 -6.418 4.261 1.00 0.00 O ATOM 1325 CB LYS A 84 -14.330 -6.144 7.131 1.00 0.00 C ATOM 1326 CG LYS A 84 -14.541 -7.660 7.150 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.636 -8.011 8.160 1.00 0.00 C ATOM 1328 CE LYS A 84 -15.802 -9.530 8.227 1.00 0.00 C ATOM 1329 NZ LYS A 84 -16.000 -9.832 9.673 1.00 0.00 N ATOM 0 H LYS A 84 -13.945 -3.978 6.140 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.151 -6.061 7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.406 -5.743 8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.110 -5.665 6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.821 -8.011 6.157 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.612 -8.164 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.377 -7.619 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.577 -7.544 7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.655 -9.861 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.923 -10.041 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.121 -10.857 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.170 -9.512 10.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.847 -9.338 10.018 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.796 -7.591 5.355 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.482 -8.440 4.183 1.00 0.00 C ATOM 1345 C PRO A 85 -12.728 -9.207 3.734 1.00 0.00 C ATOM 1346 O PRO A 85 -13.419 -9.810 4.531 1.00 0.00 O ATOM 1347 CB PRO A 85 -10.410 -9.389 4.729 1.00 0.00 C ATOM 1348 CG PRO A 85 -10.150 -9.043 6.208 1.00 0.00 C ATOM 1349 CD PRO A 85 -11.043 -7.859 6.603 1.00 0.00 C ATOM 0 HA PRO A 85 -11.148 -7.880 3.309 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.739 -10.424 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.491 -9.293 4.151 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.364 -9.905 6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.100 -8.790 6.358 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.706 -8.110 7.431 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.456 -6.995 6.916 1.00 0.00 H new ATOM 1357 N CYS A 86 -13.024 -9.182 2.463 1.00 0.00 N ATOM 1358 CA CYS A 86 -14.229 -9.903 1.963 1.00 0.00 C ATOM 1359 C CYS A 86 -14.346 -11.274 2.636 1.00 0.00 C ATOM 1360 O CYS A 86 -13.377 -12.015 2.597 1.00 0.00 O ATOM 1361 CB CYS A 86 -14.001 -10.063 0.461 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.597 -10.078 -0.392 1.00 0.00 S ATOM 1363 OXT CYS A 86 -15.401 -11.558 3.179 1.00 0.00 O ATOM 0 H CYS A 86 -12.483 -8.693 1.749 1.00 0.00 H new ATOM 0 HA CYS A 86 -15.151 -9.363 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.384 -9.246 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.461 -10.988 0.261 1.00 0.00 H new