USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 CYS SG : rot 151:sc= 0.858 USER MOD Set 1.2: A 24 CYS SG : rot -56:sc= 0.658 USER MOD Set 1.3: A 53 HIS : no HD1:sc= 0.302 K(o=4,f=3.1) USER MOD Set 1.4: A 56 CYS SG : rot 139:sc= 0.605 USER MOD Set 1.5: A 59 LYS NZ :NH3+ 172:sc= 1.56 (180deg=0.148) USER MOD Set 2.1: A 41 SER OG : rot 150:sc= 0.291 USER MOD Set 2.2: A 43 MET CE :methyl -126:sc=-0.000267 (180deg=-0.165) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 1.23 (180deg=1.13) USER MOD Single : A 9 TYR OH : rot -137:sc= 0.892 USER MOD Single : A 13 TYR OH : rot 1:sc= 1.83 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= 0.634 (180deg=0.431) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 35 MET CE :methyl -169:sc= 0 (180deg=-0.272) USER MOD Single : A 38 MET CE :methyl 157:sc= -1.1 (180deg=-2.43!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 1.14 (180deg=1.06) USER MOD Single : A 50 HIS : no HD1:sc= -0.0546 X(o=-0.055,f=-0.43) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.0965 X(o=-0.097,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.337 F(o=-0.86,f=-0.34) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 1.06 K(o=1.1,f=-0.48) USER MOD Single : A 83 GLN : amide:sc= 0.789 K(o=0.79,f=-0.45) USER MOD Single : A 84 LYS NZ :NH3+ -136:sc= 1.29 (180deg=0.132) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 95:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 79 N LYS A 7 -4.179 -5.339 11.413 1.00 0.00 N ATOM 80 CA LYS A 7 -4.389 -5.015 9.999 1.00 0.00 C ATOM 81 C LYS A 7 -3.730 -6.070 9.112 1.00 0.00 C ATOM 82 O LYS A 7 -2.955 -6.903 9.590 1.00 0.00 O ATOM 83 CB LYS A 7 -3.897 -3.593 9.690 1.00 0.00 C ATOM 84 CG LYS A 7 -2.419 -3.385 10.041 1.00 0.00 C ATOM 85 CD LYS A 7 -2.280 -2.570 11.325 1.00 0.00 C ATOM 86 CE LYS A 7 -0.799 -2.360 11.659 1.00 0.00 C ATOM 87 NZ LYS A 7 -0.629 -1.251 12.631 1.00 0.00 N ATOM 0 HA LYS A 7 -5.457 -5.032 9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.047 -3.384 8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.502 -2.876 10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.929 -4.351 10.163 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.914 -2.872 9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.774 -1.606 11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.777 -3.085 12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.381 -3.278 12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.244 -2.139 10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.297 -1.337 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.682 -0.340 12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.382 -1.298 13.347 1.00 0.00 H new ATOM 101 N LEU A 8 -3.997 -6.000 7.813 1.00 0.00 N ATOM 102 CA LEU A 8 -3.351 -6.830 6.790 1.00 0.00 C ATOM 103 C LEU A 8 -2.531 -5.994 5.813 1.00 0.00 C ATOM 104 O LEU A 8 -1.703 -6.551 5.096 1.00 0.00 O ATOM 105 CB LEU A 8 -4.408 -7.639 6.018 1.00 0.00 C ATOM 106 CG LEU A 8 -5.401 -8.416 6.900 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.713 -7.647 7.093 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.745 -9.763 6.262 1.00 0.00 C ATOM 0 H LEU A 8 -4.684 -5.351 7.428 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.670 -7.509 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.969 -6.958 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.897 -8.345 5.363 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.915 -8.557 7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.387 -8.229 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.507 -6.690 7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.180 -7.474 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.448 -10.299 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.196 -9.598 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.836 -10.354 6.148 1.00 0.00 H new ATOM 120 N TYR A 9 -2.741 -4.677 5.788 1.00 0.00 N ATOM 121 CA TYR A 9 -2.272 -3.799 4.722 1.00 0.00 C ATOM 122 C TYR A 9 -1.745 -2.479 5.300 1.00 0.00 C ATOM 123 O TYR A 9 -2.109 -2.072 6.404 1.00 0.00 O ATOM 124 CB TYR A 9 -3.400 -3.555 3.698 1.00 0.00 C ATOM 125 CG TYR A 9 -4.210 -4.777 3.278 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.561 -5.915 2.768 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.612 -4.785 3.423 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.294 -7.069 2.436 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.357 -5.932 3.080 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.696 -7.080 2.587 1.00 0.00 C ATOM 131 OH TYR A 9 -6.398 -8.196 2.255 1.00 0.00 O ATOM 0 H TYR A 9 -3.251 -4.185 6.522 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.445 -4.285 4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.086 -2.817 4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.960 -3.113 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.490 -5.903 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.118 -3.908 3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.783 -7.946 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.431 -5.933 3.194 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.209 -7.940 1.768 1.00 0.00 H new ATOM 141 N ARG A 10 -0.896 -1.802 4.531 1.00 0.00 N ATOM 142 CA ARG A 10 -0.253 -0.515 4.839 1.00 0.00 C ATOM 143 C ARG A 10 -0.263 0.360 3.583 1.00 0.00 C ATOM 144 O ARG A 10 -0.166 -0.183 2.487 1.00 0.00 O ATOM 145 CB ARG A 10 1.173 -0.802 5.359 1.00 0.00 C ATOM 146 CG ARG A 10 2.175 0.370 5.447 1.00 0.00 C ATOM 147 CD ARG A 10 1.797 1.364 6.554 1.00 0.00 C ATOM 148 NE ARG A 10 2.627 2.585 6.594 1.00 0.00 N ATOM 149 CZ ARG A 10 2.353 3.667 7.309 1.00 0.00 C ATOM 150 NH1 ARG A 10 1.404 3.730 8.191 1.00 0.00 N ATOM 151 NH2 ARG A 10 3.054 4.746 7.151 1.00 0.00 N ATOM 0 H ARG A 10 -0.617 -2.155 3.616 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.789 0.032 5.614 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.082 -1.236 6.355 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.612 -1.566 4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.175 -0.021 5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.211 0.889 4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.754 1.654 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.870 0.859 7.517 1.00 0.00 H new ATOM 0 HE ARG A 10 3.476 2.597 6.028 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.817 2.915 8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.245 4.595 8.708 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.818 4.763 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.841 5.578 7.702 1.00 0.00 H new ATOM 165 N VAL A 11 -0.360 1.681 3.721 1.00 0.00 N ATOM 166 CA VAL A 11 -0.191 2.678 2.644 1.00 0.00 C ATOM 167 C VAL A 11 0.504 3.943 3.158 1.00 0.00 C ATOM 168 O VAL A 11 0.311 4.331 4.309 1.00 0.00 O ATOM 169 CB VAL A 11 -1.554 2.999 2.001 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.435 3.914 2.862 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.395 3.662 0.628 1.00 0.00 C ATOM 0 H VAL A 11 -0.567 2.113 4.621 1.00 0.00 H new ATOM 0 HA VAL A 11 0.456 2.252 1.877 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.043 2.030 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.379 4.099 2.349 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.631 3.433 3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.922 4.861 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.379 3.872 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.840 4.594 0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.852 2.992 -0.039 1.00 0.00 H new ATOM 181 N GLU A 12 1.317 4.590 2.320 1.00 0.00 N ATOM 182 CA GLU A 12 1.997 5.848 2.640 1.00 0.00 C ATOM 183 C GLU A 12 2.577 6.533 1.406 1.00 0.00 C ATOM 184 O GLU A 12 2.944 5.897 0.413 1.00 0.00 O ATOM 185 CB GLU A 12 3.139 5.618 3.652 1.00 0.00 C ATOM 186 CG GLU A 12 4.258 4.691 3.145 1.00 0.00 C ATOM 187 CD GLU A 12 5.355 4.483 4.199 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.020 4.149 5.358 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.552 4.628 3.852 1.00 0.00 O ATOM 0 H GLU A 12 1.525 4.248 1.382 1.00 0.00 H new ATOM 0 HA GLU A 12 1.235 6.497 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.574 6.582 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.720 5.196 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.832 3.726 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.698 5.114 2.242 1.00 0.00 H new ATOM 196 N TYR A 13 2.752 7.844 1.532 1.00 0.00 N ATOM 197 CA TYR A 13 3.726 8.582 0.744 1.00 0.00 C ATOM 198 C TYR A 13 5.148 8.230 1.202 1.00 0.00 C ATOM 199 O TYR A 13 5.477 8.322 2.388 1.00 0.00 O ATOM 200 CB TYR A 13 3.444 10.077 0.881 1.00 0.00 C ATOM 201 CG TYR A 13 2.014 10.478 0.570 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.398 10.048 -0.621 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.301 11.290 1.472 1.00 0.00 C ATOM 204 CE1 TYR A 13 0.120 10.523 -0.966 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.019 11.761 1.136 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.568 11.394 -0.094 1.00 0.00 C ATOM 207 OH TYR A 13 -1.800 11.865 -0.419 1.00 0.00 O ATOM 0 H TYR A 13 2.222 8.423 2.184 1.00 0.00 H new ATOM 0 HA TYR A 13 3.645 8.308 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.682 10.387 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.114 10.623 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.908 9.352 -1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.739 11.552 2.424 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.335 10.221 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.516 12.404 1.819 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.075 11.494 -1.283 1.00 0.00 H new ATOM 217 N ALA A 14 5.993 7.816 0.263 1.00 0.00 N ATOM 218 CA ALA A 14 7.345 7.346 0.528 1.00 0.00 C ATOM 219 C ALA A 14 8.288 8.501 0.913 1.00 0.00 C ATOM 220 O ALA A 14 8.456 9.458 0.150 1.00 0.00 O ATOM 221 CB ALA A 14 7.816 6.594 -0.719 1.00 0.00 C ATOM 0 H ALA A 14 5.749 7.798 -0.727 1.00 0.00 H new ATOM 0 HA ALA A 14 7.355 6.676 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.829 6.224 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.149 5.753 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.806 7.268 -1.576 1.00 0.00 H new ATOM 227 N LYS A 15 8.931 8.400 2.085 1.00 0.00 N ATOM 228 CA LYS A 15 9.837 9.430 2.641 1.00 0.00 C ATOM 229 C LYS A 15 11.320 9.176 2.336 1.00 0.00 C ATOM 230 O LYS A 15 12.106 10.123 2.276 1.00 0.00 O ATOM 231 CB LYS A 15 9.605 9.551 4.162 1.00 0.00 C ATOM 232 CG LYS A 15 8.142 9.789 4.591 1.00 0.00 C ATOM 233 CD LYS A 15 7.450 11.008 3.961 1.00 0.00 C ATOM 234 CE LYS A 15 8.150 12.323 4.332 1.00 0.00 C ATOM 235 NZ LYS A 15 7.417 13.504 3.803 1.00 0.00 N ATOM 0 H LYS A 15 8.837 7.584 2.690 1.00 0.00 H new ATOM 0 HA LYS A 15 9.592 10.370 2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.963 8.639 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.215 10.371 4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.562 8.899 4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.114 9.899 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.438 10.897 2.877 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.411 11.045 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.230 12.400 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.166 12.318 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.919 14.374 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.363 13.443 2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.456 13.522 4.199 1.00 0.00 H new ATOM 249 N SER A 16 11.697 7.917 2.118 1.00 0.00 N ATOM 250 CA SER A 16 13.069 7.457 1.846 1.00 0.00 C ATOM 251 C SER A 16 13.077 6.142 1.053 1.00 0.00 C ATOM 252 O SER A 16 12.097 5.392 1.051 1.00 0.00 O ATOM 253 CB SER A 16 13.828 7.272 3.169 1.00 0.00 C ATOM 254 OG SER A 16 13.196 6.288 3.974 1.00 0.00 O ATOM 0 H SER A 16 11.026 7.149 2.125 1.00 0.00 H new ATOM 0 HA SER A 16 13.564 8.217 1.241 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.857 6.977 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.868 8.219 3.707 1.00 0.00 H new ATOM 0 HG SER A 16 13.693 6.182 4.812 1.00 0.00 H new ATOM 260 N GLY A 17 14.196 5.836 0.391 1.00 0.00 N ATOM 261 CA GLY A 17 14.388 4.663 -0.473 1.00 0.00 C ATOM 262 C GLY A 17 14.618 3.319 0.234 1.00 0.00 C ATOM 263 O GLY A 17 15.130 2.390 -0.390 1.00 0.00 O ATOM 0 H GLY A 17 15.029 6.422 0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.512 4.565 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.240 4.856 -1.125 1.00 0.00 H new ATOM 267 N ARG A 18 14.304 3.208 1.533 1.00 0.00 N ATOM 268 CA ARG A 18 14.631 2.034 2.371 1.00 0.00 C ATOM 269 C ARG A 18 13.740 0.806 2.126 1.00 0.00 C ATOM 270 O ARG A 18 14.124 -0.301 2.504 1.00 0.00 O ATOM 271 CB ARG A 18 14.619 2.438 3.859 1.00 0.00 C ATOM 272 CG ARG A 18 15.615 3.553 4.235 1.00 0.00 C ATOM 273 CD ARG A 18 17.077 3.282 3.845 1.00 0.00 C ATOM 274 NE ARG A 18 17.611 2.057 4.473 1.00 0.00 N ATOM 275 CZ ARG A 18 18.780 1.491 4.229 1.00 0.00 C ATOM 276 NH1 ARG A 18 19.626 1.985 3.369 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.127 0.402 4.853 1.00 0.00 N ATOM 0 H ARG A 18 13.808 3.939 2.043 1.00 0.00 H new ATOM 0 HA ARG A 18 15.631 1.717 2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.613 2.764 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 18 14.838 1.557 4.462 1.00 0.00 H new ATOM 0 HG2 ARG A 18 15.295 4.480 3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.567 3.714 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.150 3.192 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 18 17.692 4.134 4.137 1.00 0.00 H new ATOM 0 HE ARG A 18 17.017 1.601 5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 18 19.395 2.837 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.519 1.520 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.495 -0.019 5.534 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.031 -0.030 4.660 1.00 0.00 H new ATOM 291 N ALA A 19 12.578 0.979 1.491 1.00 0.00 N ATOM 292 CA ALA A 19 11.671 -0.108 1.118 1.00 0.00 C ATOM 293 C ALA A 19 11.983 -0.673 -0.282 1.00 0.00 C ATOM 294 O ALA A 19 12.277 0.077 -1.219 1.00 0.00 O ATOM 295 CB ALA A 19 10.226 0.394 1.219 1.00 0.00 C ATOM 0 H ALA A 19 12.235 1.899 1.216 1.00 0.00 H new ATOM 0 HA ALA A 19 11.813 -0.937 1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.542 -0.408 0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.021 0.710 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.086 1.238 0.544 1.00 0.00 H new ATOM 301 N SER A 20 11.860 -1.992 -0.446 1.00 0.00 N ATOM 302 CA SER A 20 12.038 -2.696 -1.724 1.00 0.00 C ATOM 303 C SER A 20 10.758 -3.414 -2.146 1.00 0.00 C ATOM 304 O SER A 20 10.028 -3.945 -1.305 1.00 0.00 O ATOM 305 CB SER A 20 13.244 -3.643 -1.681 1.00 0.00 C ATOM 306 OG SER A 20 13.127 -4.595 -0.632 1.00 0.00 O ATOM 0 H SER A 20 11.628 -2.619 0.324 1.00 0.00 H new ATOM 0 HA SER A 20 12.251 -1.948 -2.488 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.333 -4.162 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.157 -3.063 -1.546 1.00 0.00 H new ATOM 0 HG SER A 20 13.911 -5.183 -0.635 1.00 0.00 H new ATOM 312 N CYS A 21 10.470 -3.405 -3.450 1.00 0.00 N ATOM 313 CA CYS A 21 9.250 -3.976 -4.014 1.00 0.00 C ATOM 314 C CYS A 21 9.377 -5.502 -4.112 1.00 0.00 C ATOM 315 O CYS A 21 10.154 -6.033 -4.913 1.00 0.00 O ATOM 316 CB CYS A 21 8.983 -3.306 -5.363 1.00 0.00 C ATOM 317 SG CYS A 21 7.324 -3.746 -6.007 1.00 0.00 S ATOM 0 H CYS A 21 11.087 -2.995 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 21 8.392 -3.785 -3.369 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.059 -2.224 -5.256 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.746 -3.609 -6.080 1.00 0.00 H new ATOM 0 HG CYS A 21 6.873 -2.774 -6.744 1.00 0.00 H new ATOM 322 N LYS A 22 8.601 -6.225 -3.299 1.00 0.00 N ATOM 323 CA LYS A 22 8.633 -7.700 -3.242 1.00 0.00 C ATOM 324 C LYS A 22 8.053 -8.363 -4.503 1.00 0.00 C ATOM 325 O LYS A 22 8.200 -9.575 -4.673 1.00 0.00 O ATOM 326 CB LYS A 22 7.880 -8.202 -1.995 1.00 0.00 C ATOM 327 CG LYS A 22 8.231 -7.515 -0.667 1.00 0.00 C ATOM 328 CD LYS A 22 9.658 -7.747 -0.158 1.00 0.00 C ATOM 329 CE LYS A 22 9.919 -9.225 0.164 1.00 0.00 C ATOM 330 NZ LYS A 22 11.290 -9.432 0.702 1.00 0.00 N ATOM 0 H LYS A 22 7.928 -5.807 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 22 9.683 -7.987 -3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.811 -8.083 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.069 -9.270 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.075 -6.442 -0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.532 -7.859 0.095 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.371 -7.408 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.827 -7.146 0.735 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.185 -9.575 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.786 -9.824 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.433 -10.441 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.990 -9.120 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.407 -8.880 1.575 1.00 0.00 H new ATOM 344 N LYS A 23 7.378 -7.587 -5.365 1.00 0.00 N ATOM 345 CA LYS A 23 6.603 -8.073 -6.520 1.00 0.00 C ATOM 346 C LYS A 23 7.325 -7.900 -7.863 1.00 0.00 C ATOM 347 O LYS A 23 7.432 -8.881 -8.602 1.00 0.00 O ATOM 348 CB LYS A 23 5.208 -7.425 -6.491 1.00 0.00 C ATOM 349 CG LYS A 23 4.259 -7.863 -7.618 1.00 0.00 C ATOM 350 CD LYS A 23 4.041 -9.384 -7.683 1.00 0.00 C ATOM 351 CE LYS A 23 3.004 -9.723 -8.758 1.00 0.00 C ATOM 352 NZ LYS A 23 2.828 -11.192 -8.910 1.00 0.00 N ATOM 0 H LYS A 23 7.355 -6.571 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 23 6.491 -9.153 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.739 -7.653 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.327 -6.343 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.296 -7.372 -7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.659 -7.521 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.983 -9.885 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.705 -9.753 -6.714 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.049 -9.267 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.314 -9.293 -9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.119 -11.382 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.734 -11.624 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.508 -11.599 -8.008 1.00 0.00 H new ATOM 366 N CYS A 24 7.839 -6.701 -8.168 1.00 0.00 N ATOM 367 CA CYS A 24 8.606 -6.430 -9.400 1.00 0.00 C ATOM 368 C CYS A 24 10.145 -6.383 -9.200 1.00 0.00 C ATOM 369 O CYS A 24 10.899 -6.239 -10.169 1.00 0.00 O ATOM 370 CB CYS A 24 7.995 -5.242 -10.170 1.00 0.00 C ATOM 371 SG CYS A 24 8.452 -3.601 -9.495 1.00 0.00 S ATOM 0 H CYS A 24 7.736 -5.884 -7.566 1.00 0.00 H new ATOM 0 HA CYS A 24 8.500 -7.297 -10.052 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.312 -5.296 -11.212 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.909 -5.337 -10.162 1.00 0.00 H new ATOM 0 HG CYS A 24 8.115 -3.538 -8.241 1.00 0.00 H new ATOM 376 N SER A 25 10.614 -6.597 -7.963 1.00 0.00 N ATOM 377 CA SER A 25 12.029 -6.751 -7.572 1.00 0.00 C ATOM 378 C SER A 25 12.932 -5.529 -7.827 1.00 0.00 C ATOM 379 O SER A 25 14.157 -5.652 -7.901 1.00 0.00 O ATOM 380 CB SER A 25 12.629 -8.058 -8.120 1.00 0.00 C ATOM 381 OG SER A 25 11.840 -9.181 -7.743 1.00 0.00 O ATOM 0 H SER A 25 9.986 -6.672 -7.163 1.00 0.00 H new ATOM 0 HA SER A 25 12.005 -6.818 -6.484 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.695 -8.004 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.645 -8.181 -7.745 1.00 0.00 H new ATOM 0 HG SER A 25 12.241 -9.999 -8.105 1.00 0.00 H new ATOM 387 N GLU A 26 12.342 -4.334 -7.918 1.00 0.00 N ATOM 388 CA GLU A 26 13.040 -3.041 -7.849 1.00 0.00 C ATOM 389 C GLU A 26 12.993 -2.474 -6.414 1.00 0.00 C ATOM 390 O GLU A 26 12.395 -3.080 -5.520 1.00 0.00 O ATOM 391 CB GLU A 26 12.419 -2.062 -8.866 1.00 0.00 C ATOM 392 CG GLU A 26 12.529 -2.519 -10.332 1.00 0.00 C ATOM 393 CD GLU A 26 13.982 -2.756 -10.797 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.890 -1.971 -10.428 1.00 0.00 O ATOM 395 OE2 GLU A 26 14.228 -3.718 -11.568 1.00 0.00 O ATOM 0 H GLU A 26 11.335 -4.233 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 26 14.089 -3.183 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.367 -1.919 -8.620 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.905 -1.092 -8.762 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.960 -3.440 -10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.069 -1.768 -10.974 1.00 0.00 H new ATOM 402 N SER A 27 13.588 -1.302 -6.173 1.00 0.00 N ATOM 403 CA SER A 27 13.452 -0.581 -4.896 1.00 0.00 C ATOM 404 C SER A 27 12.616 0.688 -5.049 1.00 0.00 C ATOM 405 O SER A 27 12.630 1.340 -6.096 1.00 0.00 O ATOM 406 CB SER A 27 14.798 -0.312 -4.226 1.00 0.00 C ATOM 407 OG SER A 27 15.471 -1.534 -3.958 1.00 0.00 O ATOM 0 H SER A 27 14.178 -0.824 -6.854 1.00 0.00 H new ATOM 0 HA SER A 27 12.908 -1.242 -4.221 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.413 0.316 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.646 0.238 -3.297 1.00 0.00 H new ATOM 0 HG SER A 27 16.332 -1.346 -3.530 1.00 0.00 H new ATOM 413 N ILE A 28 11.829 1.005 -4.020 1.00 0.00 N ATOM 414 CA ILE A 28 10.718 1.959 -4.111 1.00 0.00 C ATOM 415 C ILE A 28 11.246 3.374 -3.803 1.00 0.00 C ATOM 416 O ILE A 28 11.820 3.578 -2.728 1.00 0.00 O ATOM 417 CB ILE A 28 9.563 1.537 -3.172 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.088 0.087 -3.440 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.368 2.499 -3.307 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.218 -0.491 -2.316 1.00 0.00 C ATOM 0 H ILE A 28 11.944 0.604 -3.089 1.00 0.00 H new ATOM 0 HA ILE A 28 10.307 1.965 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 28 9.956 1.582 -2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.524 0.065 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.960 -0.552 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.568 2.182 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.682 3.509 -3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.006 2.488 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.922 -1.508 -2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.785 -0.501 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.328 0.125 -2.191 1.00 0.00 H new ATOM 432 N PRO A 29 11.076 4.360 -4.704 1.00 0.00 N ATOM 433 CA PRO A 29 11.602 5.711 -4.515 1.00 0.00 C ATOM 434 C PRO A 29 10.824 6.500 -3.454 1.00 0.00 C ATOM 435 O PRO A 29 9.645 6.226 -3.209 1.00 0.00 O ATOM 436 CB PRO A 29 11.485 6.380 -5.885 1.00 0.00 C ATOM 437 CG PRO A 29 10.211 5.741 -6.430 1.00 0.00 C ATOM 438 CD PRO A 29 10.353 4.291 -5.968 1.00 0.00 C ATOM 0 HA PRO A 29 12.629 5.681 -4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.399 7.464 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.349 6.174 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.315 6.211 -6.025 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.149 5.818 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.378 3.822 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.898 3.696 -6.701 1.00 0.00 H new ATOM 446 N LYS A 30 11.453 7.531 -2.875 1.00 0.00 N ATOM 447 CA LYS A 30 10.716 8.591 -2.162 1.00 0.00 C ATOM 448 C LYS A 30 9.915 9.472 -3.133 1.00 0.00 C ATOM 449 O LYS A 30 10.135 9.428 -4.344 1.00 0.00 O ATOM 450 CB LYS A 30 11.637 9.393 -1.230 1.00 0.00 C ATOM 451 CG LYS A 30 12.540 10.430 -1.920 1.00 0.00 C ATOM 452 CD LYS A 30 13.348 11.232 -0.886 1.00 0.00 C ATOM 453 CE LYS A 30 12.475 12.244 -0.124 1.00 0.00 C ATOM 454 NZ LYS A 30 13.088 12.620 1.176 1.00 0.00 N ATOM 0 H LYS A 30 12.465 7.657 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 30 9.981 8.112 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.020 9.908 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.269 8.693 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.220 9.926 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.930 11.109 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.809 10.545 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.157 11.760 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.335 13.137 -0.733 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.487 11.817 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.670 13.511 1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.910 11.870 1.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.113 12.743 1.054 1.00 0.00 H new ATOM 468 N ASP A 31 9.004 10.287 -2.599 1.00 0.00 N ATOM 469 CA ASP A 31 8.120 11.169 -3.383 1.00 0.00 C ATOM 470 C ASP A 31 7.258 10.391 -4.408 1.00 0.00 C ATOM 471 O ASP A 31 7.106 10.767 -5.573 1.00 0.00 O ATOM 472 CB ASP A 31 8.936 12.347 -3.952 1.00 0.00 C ATOM 473 CG ASP A 31 8.084 13.449 -4.603 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.977 13.761 -4.103 1.00 0.00 O ATOM 475 OD2 ASP A 31 8.579 14.059 -5.583 1.00 0.00 O ATOM 0 H ASP A 31 8.853 10.358 -1.593 1.00 0.00 H new ATOM 0 HA ASP A 31 7.369 11.611 -2.728 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.526 12.787 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.640 11.963 -4.691 1.00 0.00 H new ATOM 480 N SER A 32 6.711 9.261 -3.954 1.00 0.00 N ATOM 481 CA SER A 32 5.710 8.434 -4.643 1.00 0.00 C ATOM 482 C SER A 32 4.813 7.726 -3.610 1.00 0.00 C ATOM 483 O SER A 32 5.012 7.885 -2.404 1.00 0.00 O ATOM 484 CB SER A 32 6.402 7.433 -5.577 1.00 0.00 C ATOM 485 OG SER A 32 5.440 6.859 -6.445 1.00 0.00 O ATOM 0 H SER A 32 6.967 8.875 -3.045 1.00 0.00 H new ATOM 0 HA SER A 32 5.073 9.070 -5.257 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.177 7.935 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.893 6.654 -4.994 1.00 0.00 H new ATOM 0 HG SER A 32 5.880 6.220 -7.044 1.00 0.00 H new ATOM 491 N LEU A 33 3.819 6.959 -4.058 1.00 0.00 N ATOM 492 CA LEU A 33 2.857 6.244 -3.218 1.00 0.00 C ATOM 493 C LEU A 33 3.214 4.749 -3.162 1.00 0.00 C ATOM 494 O LEU A 33 3.467 4.119 -4.195 1.00 0.00 O ATOM 495 CB LEU A 33 1.445 6.513 -3.772 1.00 0.00 C ATOM 496 CG LEU A 33 0.301 5.950 -2.912 1.00 0.00 C ATOM 497 CD1 LEU A 33 0.118 6.701 -1.598 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.022 6.066 -3.662 1.00 0.00 C ATOM 0 H LEU A 33 3.655 6.813 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 33 2.888 6.599 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.309 7.590 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.374 6.086 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 33 0.571 4.915 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.704 6.257 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.035 6.637 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.108 7.747 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.826 5.665 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.223 7.114 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.963 5.502 -4.593 1.00 0.00 H new ATOM 510 N ARG A 34 3.215 4.168 -1.958 1.00 0.00 N ATOM 511 CA ARG A 34 3.561 2.763 -1.708 1.00 0.00 C ATOM 512 C ARG A 34 2.631 2.119 -0.692 1.00 0.00 C ATOM 513 O ARG A 34 1.989 2.802 0.104 1.00 0.00 O ATOM 514 CB ARG A 34 5.051 2.627 -1.348 1.00 0.00 C ATOM 515 CG ARG A 34 5.492 3.239 -0.008 1.00 0.00 C ATOM 516 CD ARG A 34 7.001 3.010 0.167 1.00 0.00 C ATOM 517 NE ARG A 34 7.538 3.658 1.378 1.00 0.00 N ATOM 518 CZ ARG A 34 8.778 4.051 1.594 1.00 0.00 C ATOM 519 NH1 ARG A 34 9.726 3.935 0.708 1.00 0.00 N ATOM 520 NH2 ARG A 34 9.068 4.603 2.730 1.00 0.00 N ATOM 0 H ARG A 34 2.969 4.674 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 34 3.409 2.202 -2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.304 1.567 -1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.637 3.088 -2.143 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.267 4.305 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.943 2.782 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.199 1.939 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.526 3.392 -0.708 1.00 0.00 H new ATOM 0 HE ARG A 34 6.874 3.821 2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.525 3.524 -0.204 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.670 4.255 0.926 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.343 4.726 3.437 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.021 4.914 2.917 1.00 0.00 H new ATOM 534 N MET A 35 2.562 0.797 -0.749 1.00 0.00 N ATOM 535 CA MET A 35 1.752 -0.060 0.110 1.00 0.00 C ATOM 536 C MET A 35 2.599 -1.188 0.694 1.00 0.00 C ATOM 537 O MET A 35 3.698 -1.460 0.218 1.00 0.00 O ATOM 538 CB MET A 35 0.533 -0.604 -0.658 1.00 0.00 C ATOM 539 CG MET A 35 -0.523 0.479 -0.897 1.00 0.00 C ATOM 540 SD MET A 35 -2.050 -0.059 -1.720 1.00 0.00 S ATOM 541 CE MET A 35 -2.907 -0.876 -0.344 1.00 0.00 C ATOM 0 H MET A 35 3.098 0.263 -1.433 1.00 0.00 H new ATOM 0 HA MET A 35 1.376 0.536 0.942 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.859 -1.010 -1.615 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.089 -1.427 -0.098 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.788 0.917 0.065 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.072 1.271 -1.495 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.766 -1.428 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.224 -1.566 0.152 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.246 -0.126 0.370 1.00 0.00 H new ATOM 551 N ALA A 36 2.109 -1.827 1.748 1.00 0.00 N ATOM 552 CA ALA A 36 2.744 -2.996 2.346 1.00 0.00 C ATOM 553 C ALA A 36 1.701 -4.024 2.805 1.00 0.00 C ATOM 554 O ALA A 36 0.517 -3.701 2.919 1.00 0.00 O ATOM 555 CB ALA A 36 3.691 -2.549 3.472 1.00 0.00 C ATOM 0 H ALA A 36 1.249 -1.545 2.218 1.00 0.00 H new ATOM 0 HA ALA A 36 3.347 -3.506 1.595 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.165 -3.424 3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.457 -1.890 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.123 -2.016 4.235 1.00 0.00 H new ATOM 561 N ILE A 37 2.142 -5.249 3.095 1.00 0.00 N ATOM 562 CA ILE A 37 1.311 -6.325 3.651 1.00 0.00 C ATOM 563 C ILE A 37 1.847 -6.780 5.000 1.00 0.00 C ATOM 564 O ILE A 37 3.054 -6.899 5.184 1.00 0.00 O ATOM 565 CB ILE A 37 1.167 -7.468 2.623 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.178 -7.274 1.901 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.268 -8.875 3.226 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.326 -8.085 0.612 1.00 0.00 C ATOM 0 H ILE A 37 3.111 -5.530 2.947 1.00 0.00 H new ATOM 0 HA ILE A 37 0.305 -5.951 3.843 1.00 0.00 H new ATOM 0 HB ILE A 37 2.007 -7.408 1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.985 -7.546 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.302 -6.217 1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.156 -9.618 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.240 -8.997 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.480 -9.011 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.302 -7.889 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.456 -7.797 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.237 -9.148 0.838 1.00 0.00 H new ATOM 580 N MET A 38 0.944 -7.046 5.940 1.00 0.00 N ATOM 581 CA MET A 38 1.263 -7.339 7.330 1.00 0.00 C ATOM 582 C MET A 38 1.274 -8.849 7.582 1.00 0.00 C ATOM 583 O MET A 38 0.220 -9.470 7.725 1.00 0.00 O ATOM 584 CB MET A 38 0.276 -6.593 8.254 1.00 0.00 C ATOM 585 CG MET A 38 0.106 -5.087 7.985 1.00 0.00 C ATOM 586 SD MET A 38 1.200 -3.978 8.915 1.00 0.00 S ATOM 587 CE MET A 38 2.797 -4.601 8.348 1.00 0.00 C ATOM 0 H MET A 38 -0.058 -7.064 5.748 1.00 0.00 H new ATOM 0 HA MET A 38 2.268 -6.982 7.556 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.701 -7.069 8.169 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.606 -6.723 9.285 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.262 -4.909 6.921 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.926 -4.814 8.205 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.554 -3.826 8.469 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.076 -5.475 8.936 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.727 -4.878 7.296 1.00 0.00 H new ATOM 597 N VAL A 39 2.471 -9.433 7.672 1.00 0.00 N ATOM 598 CA VAL A 39 2.678 -10.865 7.968 1.00 0.00 C ATOM 599 C VAL A 39 3.315 -11.068 9.343 1.00 0.00 C ATOM 600 O VAL A 39 4.196 -10.316 9.750 1.00 0.00 O ATOM 601 CB VAL A 39 3.454 -11.569 6.836 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.832 -10.958 6.567 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.618 -13.075 7.076 1.00 0.00 C ATOM 0 H VAL A 39 3.343 -8.921 7.540 1.00 0.00 H new ATOM 0 HA VAL A 39 1.699 -11.343 8.012 1.00 0.00 H new ATOM 0 HB VAL A 39 2.832 -11.413 5.954 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.320 -11.503 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.717 -9.912 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.441 -11.023 7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.171 -13.517 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.164 -13.238 8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.635 -13.541 7.146 1.00 0.00 H new ATOM 613 N GLN A 40 2.866 -12.089 10.072 1.00 0.00 N ATOM 614 CA GLN A 40 3.448 -12.507 11.352 1.00 0.00 C ATOM 615 C GLN A 40 4.847 -13.111 11.136 1.00 0.00 C ATOM 616 O GLN A 40 5.013 -14.059 10.365 1.00 0.00 O ATOM 617 CB GLN A 40 2.482 -13.460 12.082 1.00 0.00 C ATOM 618 CG GLN A 40 1.927 -14.611 11.214 1.00 0.00 C ATOM 619 CD GLN A 40 1.006 -15.568 11.977 1.00 0.00 C ATOM 620 OE1 GLN A 40 0.709 -15.419 13.156 1.00 0.00 O ATOM 621 NE2 GLN A 40 0.507 -16.599 11.326 1.00 0.00 N ATOM 0 H GLN A 40 2.072 -12.662 9.786 1.00 0.00 H new ATOM 0 HA GLN A 40 3.585 -11.639 11.997 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.997 -13.888 12.942 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.645 -12.879 12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.379 -14.188 10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.761 -15.177 10.800 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.740 -16.743 10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.113 -17.253 11.804 1.00 0.00 H new ATOM 630 N SER A 41 5.871 -12.544 11.781 1.00 0.00 N ATOM 631 CA SER A 41 7.267 -12.857 11.457 1.00 0.00 C ATOM 632 C SER A 41 7.788 -14.134 12.115 1.00 0.00 C ATOM 633 O SER A 41 7.601 -14.327 13.322 1.00 0.00 O ATOM 634 CB SER A 41 8.192 -11.704 11.824 1.00 0.00 C ATOM 635 OG SER A 41 9.453 -11.924 11.227 1.00 0.00 O ATOM 0 H SER A 41 5.759 -11.864 12.533 1.00 0.00 H new ATOM 0 HA SER A 41 7.271 -13.020 10.379 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.772 -10.759 11.480 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.294 -11.632 12.907 1.00 0.00 H new ATOM 0 HG SER A 41 9.876 -11.062 11.030 1.00 0.00 H new ATOM 641 N PRO A 42 8.553 -14.955 11.373 1.00 0.00 N ATOM 642 CA PRO A 42 9.390 -15.993 11.957 1.00 0.00 C ATOM 643 C PRO A 42 10.556 -15.460 12.816 1.00 0.00 C ATOM 644 O PRO A 42 11.151 -16.238 13.566 1.00 0.00 O ATOM 645 CB PRO A 42 9.906 -16.824 10.773 1.00 0.00 C ATOM 646 CG PRO A 42 8.904 -16.544 9.655 1.00 0.00 C ATOM 647 CD PRO A 42 8.506 -15.097 9.927 1.00 0.00 C ATOM 0 HA PRO A 42 8.801 -16.583 12.659 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.915 -16.527 10.487 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.944 -17.886 11.018 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.352 -16.664 8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 42 8.047 -17.216 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.190 -14.402 9.440 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.509 -14.884 9.542 1.00 0.00 H new ATOM 655 N MET A 43 10.907 -14.166 12.705 1.00 0.00 N ATOM 656 CA MET A 43 12.112 -13.569 13.318 1.00 0.00 C ATOM 657 C MET A 43 11.883 -12.291 14.151 1.00 0.00 C ATOM 658 O MET A 43 12.847 -11.679 14.619 1.00 0.00 O ATOM 659 CB MET A 43 13.183 -13.370 12.237 1.00 0.00 C ATOM 660 CG MET A 43 12.954 -12.165 11.314 1.00 0.00 C ATOM 661 SD MET A 43 13.354 -12.467 9.572 1.00 0.00 S ATOM 662 CE MET A 43 11.973 -13.569 9.161 1.00 0.00 C ATOM 0 H MET A 43 10.352 -13.492 12.177 1.00 0.00 H new ATOM 0 HA MET A 43 12.455 -14.284 14.065 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.152 -13.258 12.723 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.235 -14.272 11.627 1.00 0.00 H new ATOM 0 HG2 MET A 43 11.910 -11.861 11.387 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.555 -11.329 11.672 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.360 -14.493 8.732 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.408 -13.797 10.065 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.319 -13.080 8.439 1.00 0.00 H new ATOM 672 N PHE A 44 10.628 -11.880 14.342 1.00 0.00 N ATOM 673 CA PHE A 44 10.230 -10.698 15.120 1.00 0.00 C ATOM 674 C PHE A 44 8.964 -10.979 15.949 1.00 0.00 C ATOM 675 O PHE A 44 8.140 -11.822 15.592 1.00 0.00 O ATOM 676 CB PHE A 44 10.059 -9.493 14.178 1.00 0.00 C ATOM 677 CG PHE A 44 9.606 -8.216 14.862 1.00 0.00 C ATOM 678 CD1 PHE A 44 10.517 -7.464 15.628 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.265 -7.797 14.761 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.087 -6.300 16.291 1.00 0.00 C ATOM 681 CE2 PHE A 44 7.837 -6.633 15.423 1.00 0.00 C ATOM 682 CZ PHE A 44 8.748 -5.884 16.189 1.00 0.00 C ATOM 0 H PHE A 44 9.830 -12.377 13.946 1.00 0.00 H new ATOM 0 HA PHE A 44 11.016 -10.456 15.835 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.008 -9.304 13.676 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.335 -9.752 13.405 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.546 -7.781 15.707 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.564 -8.371 14.174 1.00 0.00 H new ATOM 0 HE1 PHE A 44 10.787 -5.725 16.879 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.808 -6.314 15.343 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.419 -4.990 16.698 1.00 0.00 H new ATOM 692 N ASP A 45 8.799 -10.263 17.062 1.00 0.00 N ATOM 693 CA ASP A 45 7.752 -10.481 18.073 1.00 0.00 C ATOM 694 C ASP A 45 6.414 -9.797 17.709 1.00 0.00 C ATOM 695 O ASP A 45 5.785 -9.129 18.536 1.00 0.00 O ATOM 696 CB ASP A 45 8.289 -10.073 19.458 1.00 0.00 C ATOM 697 CG ASP A 45 9.497 -10.922 19.886 1.00 0.00 C ATOM 698 OD1 ASP A 45 9.299 -12.091 20.298 1.00 0.00 O ATOM 699 OD2 ASP A 45 10.646 -10.422 19.826 1.00 0.00 O ATOM 0 H ASP A 45 9.413 -9.483 17.297 1.00 0.00 H new ATOM 0 HA ASP A 45 7.510 -11.543 18.102 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.575 -9.021 19.440 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.495 -10.175 20.198 1.00 0.00 H new ATOM 704 N GLY A 46 5.982 -9.926 16.450 1.00 0.00 N ATOM 705 CA GLY A 46 4.797 -9.265 15.911 1.00 0.00 C ATOM 706 C GLY A 46 4.692 -9.360 14.387 1.00 0.00 C ATOM 707 O GLY A 46 5.238 -10.268 13.750 1.00 0.00 O ATOM 0 H GLY A 46 6.461 -10.508 15.763 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.907 -9.708 16.358 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.811 -8.215 16.203 1.00 0.00 H new ATOM 711 N LYS A 47 3.972 -8.398 13.805 1.00 0.00 N ATOM 712 CA LYS A 47 3.651 -8.307 12.376 1.00 0.00 C ATOM 713 C LYS A 47 4.629 -7.354 11.676 1.00 0.00 C ATOM 714 O LYS A 47 4.943 -6.291 12.214 1.00 0.00 O ATOM 715 CB LYS A 47 2.187 -7.852 12.222 1.00 0.00 C ATOM 716 CG LYS A 47 1.162 -8.798 12.895 1.00 0.00 C ATOM 717 CD LYS A 47 0.514 -9.819 11.948 1.00 0.00 C ATOM 718 CE LYS A 47 -0.388 -9.192 10.874 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.617 -8.572 11.436 1.00 0.00 N ATOM 0 H LYS A 47 3.578 -7.625 14.341 1.00 0.00 H new ATOM 0 HA LYS A 47 3.758 -9.281 11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.080 -6.854 12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.951 -7.773 11.161 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.660 -9.336 13.702 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.376 -8.195 13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.300 -10.394 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.075 -10.522 12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.177 -8.436 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.672 -9.959 10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.098 -8.022 10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.254 -9.317 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.360 -7.942 12.223 1.00 0.00 H new ATOM 733 N VAL A 48 5.099 -7.724 10.485 1.00 0.00 N ATOM 734 CA VAL A 48 6.112 -6.985 9.705 1.00 0.00 C ATOM 735 C VAL A 48 5.641 -6.699 8.267 1.00 0.00 C ATOM 736 O VAL A 48 4.874 -7.496 7.718 1.00 0.00 O ATOM 737 CB VAL A 48 7.479 -7.704 9.706 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.051 -7.810 11.127 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.442 -9.106 9.084 1.00 0.00 C ATOM 0 H VAL A 48 4.780 -8.571 10.015 1.00 0.00 H new ATOM 0 HA VAL A 48 6.243 -6.025 10.203 1.00 0.00 H new ATOM 0 HB VAL A 48 8.123 -7.083 9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.013 -8.321 11.095 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.184 -6.811 11.541 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.362 -8.374 11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.438 -9.547 9.121 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.747 -9.733 9.642 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.115 -9.035 8.047 1.00 0.00 H new ATOM 749 N PRO A 49 6.058 -5.573 7.649 1.00 0.00 N ATOM 750 CA PRO A 49 5.577 -5.154 6.332 1.00 0.00 C ATOM 751 C PRO A 49 6.337 -5.786 5.153 1.00 0.00 C ATOM 752 O PRO A 49 7.569 -5.770 5.104 1.00 0.00 O ATOM 753 CB PRO A 49 5.722 -3.627 6.317 1.00 0.00 C ATOM 754 CG PRO A 49 6.930 -3.385 7.219 1.00 0.00 C ATOM 755 CD PRO A 49 6.815 -4.489 8.267 1.00 0.00 C ATOM 0 HA PRO A 49 4.549 -5.488 6.193 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.889 -3.248 5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.828 -3.133 6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.866 -3.453 6.664 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.900 -2.395 7.673 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.802 -4.833 8.577 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.309 -4.124 9.161 1.00 0.00 H new ATOM 763 N HIS A 50 5.597 -6.269 4.149 1.00 0.00 N ATOM 764 CA HIS A 50 6.098 -6.593 2.805 1.00 0.00 C ATOM 765 C HIS A 50 5.727 -5.458 1.865 1.00 0.00 C ATOM 766 O HIS A 50 4.565 -5.357 1.496 1.00 0.00 O ATOM 767 CB HIS A 50 5.505 -7.936 2.341 1.00 0.00 C ATOM 768 CG HIS A 50 6.197 -9.145 2.920 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.364 -10.372 2.273 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.759 -9.222 4.160 1.00 0.00 C ATOM 771 CE1 HIS A 50 7.018 -11.160 3.143 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.288 -10.488 4.276 1.00 0.00 N ATOM 0 H HIS A 50 4.599 -6.452 4.251 1.00 0.00 H new ATOM 0 HA HIS A 50 7.183 -6.699 2.812 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.450 -7.969 2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.555 -7.987 1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.784 -8.442 4.906 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.289 -12.189 2.958 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.796 -10.853 5.082 1.00 0.00 H new ATOM 780 N TRP A 51 6.672 -4.575 1.532 1.00 0.00 N ATOM 781 CA TRP A 51 6.414 -3.358 0.758 1.00 0.00 C ATOM 782 C TRP A 51 6.299 -3.639 -0.740 1.00 0.00 C ATOM 783 O TRP A 51 7.003 -4.471 -1.305 1.00 0.00 O ATOM 784 CB TRP A 51 7.516 -2.320 0.993 1.00 0.00 C ATOM 785 CG TRP A 51 7.653 -1.839 2.401 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.542 -2.313 3.301 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.881 -0.806 3.093 1.00 0.00 C ATOM 788 NE1 TRP A 51 8.373 -1.661 4.504 1.00 0.00 N ATOM 789 CE2 TRP A 51 7.337 -0.754 4.446 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.829 0.073 2.732 1.00 0.00 C ATOM 791 CZ2 TRP A 51 6.760 0.085 5.404 1.00 0.00 C ATOM 792 CZ3 TRP A 51 5.221 0.902 3.701 1.00 0.00 C ATOM 793 CH2 TRP A 51 5.691 0.912 5.028 1.00 0.00 C ATOM 0 H TRP A 51 7.651 -4.687 1.796 1.00 0.00 H new ATOM 0 HA TRP A 51 5.458 -2.965 1.106 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.468 -2.748 0.679 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.325 -1.461 0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.273 -3.084 3.108 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.943 -1.829 5.333 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.489 0.109 1.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 7.132 0.096 6.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 4.390 1.533 3.422 1.00 0.00 H new ATOM 0 HH2 TRP A 51 5.227 1.558 5.759 1.00 0.00 H new ATOM 804 N TYR A 52 5.457 -2.875 -1.416 1.00 0.00 N ATOM 805 CA TYR A 52 5.364 -2.857 -2.865 1.00 0.00 C ATOM 806 C TYR A 52 4.980 -1.443 -3.330 1.00 0.00 C ATOM 807 O TYR A 52 4.409 -0.656 -2.566 1.00 0.00 O ATOM 808 CB TYR A 52 4.395 -3.946 -3.376 1.00 0.00 C ATOM 809 CG TYR A 52 4.060 -5.150 -2.496 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.134 -5.049 -1.435 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.622 -6.405 -2.803 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.766 -6.198 -0.702 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.250 -7.554 -2.081 1.00 0.00 C ATOM 814 CZ TYR A 52 3.329 -7.452 -1.020 1.00 0.00 C ATOM 815 OH TYR A 52 2.995 -8.562 -0.305 1.00 0.00 O ATOM 0 H TYR A 52 4.805 -2.236 -0.962 1.00 0.00 H new ATOM 0 HA TYR A 52 6.334 -3.098 -3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.454 -3.453 -3.621 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.805 -4.332 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.706 -4.090 -1.183 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.346 -6.486 -3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.052 -6.117 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.671 -8.514 -2.340 1.00 0.00 H new ATOM 0 HH TYR A 52 3.476 -9.338 -0.662 1.00 0.00 H new ATOM 825 N HIS A 53 5.268 -1.098 -4.589 1.00 0.00 N ATOM 826 CA HIS A 53 4.683 0.102 -5.216 1.00 0.00 C ATOM 827 C HIS A 53 3.146 0.076 -5.071 1.00 0.00 C ATOM 828 O HIS A 53 2.555 -1.007 -5.059 1.00 0.00 O ATOM 829 CB HIS A 53 5.040 0.173 -6.712 1.00 0.00 C ATOM 830 CG HIS A 53 6.508 0.289 -7.071 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.317 -0.688 -7.667 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.213 1.458 -7.031 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.472 -0.083 -7.979 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.436 1.207 -7.614 1.00 0.00 N ATOM 0 H HIS A 53 5.897 -1.625 -5.194 1.00 0.00 H new ATOM 0 HA HIS A 53 5.092 0.977 -4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.644 -0.720 -7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.519 1.028 -7.143 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.876 2.399 -6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.312 -0.566 -8.456 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.186 1.886 -7.745 1.00 0.00 H new ATOM 842 N PHE A 54 2.473 1.234 -5.025 1.00 0.00 N ATOM 843 CA PHE A 54 0.999 1.282 -4.943 1.00 0.00 C ATOM 844 C PHE A 54 0.328 0.439 -6.046 1.00 0.00 C ATOM 845 O PHE A 54 -0.614 -0.300 -5.776 1.00 0.00 O ATOM 846 CB PHE A 54 0.523 2.739 -5.020 1.00 0.00 C ATOM 847 CG PHE A 54 -0.966 2.916 -5.290 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.927 2.571 -4.318 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.397 3.422 -6.532 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.300 2.695 -4.599 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.769 3.575 -6.798 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.723 3.193 -5.840 1.00 0.00 C ATOM 0 H PHE A 54 2.921 2.150 -5.043 1.00 0.00 H new ATOM 0 HA PHE A 54 0.705 0.851 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.768 3.236 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.082 3.247 -5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.607 2.209 -3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.670 3.694 -7.283 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.030 2.406 -3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.091 3.988 -7.743 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.777 3.282 -6.058 1.00 0.00 H new ATOM 862 N SER A 55 0.866 0.476 -7.269 1.00 0.00 N ATOM 863 CA SER A 55 0.355 -0.258 -8.431 1.00 0.00 C ATOM 864 C SER A 55 0.735 -1.742 -8.404 1.00 0.00 C ATOM 865 O SER A 55 0.127 -2.540 -9.114 1.00 0.00 O ATOM 866 CB SER A 55 0.854 0.394 -9.727 1.00 0.00 C ATOM 867 OG SER A 55 0.542 1.778 -9.743 1.00 0.00 O ATOM 0 H SER A 55 1.693 1.033 -7.484 1.00 0.00 H new ATOM 0 HA SER A 55 -0.733 -0.207 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.932 0.258 -9.817 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.398 -0.097 -10.586 1.00 0.00 H new ATOM 0 HG SER A 55 0.869 2.177 -10.576 1.00 0.00 H new ATOM 873 N CYS A 56 1.769 -2.124 -7.645 1.00 0.00 N ATOM 874 CA CYS A 56 2.211 -3.505 -7.456 1.00 0.00 C ATOM 875 C CYS A 56 1.393 -4.268 -6.398 1.00 0.00 C ATOM 876 O CYS A 56 1.160 -5.466 -6.552 1.00 0.00 O ATOM 877 CB CYS A 56 3.707 -3.533 -7.154 1.00 0.00 C ATOM 878 SG CYS A 56 4.688 -3.033 -8.619 1.00 0.00 S ATOM 0 H CYS A 56 2.339 -1.454 -7.129 1.00 0.00 H new ATOM 0 HA CYS A 56 2.030 -4.037 -8.390 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.925 -2.864 -6.321 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.999 -4.536 -6.842 1.00 0.00 H new ATOM 0 HG CYS A 56 5.667 -2.264 -8.244 1.00 0.00 H new ATOM 883 N PHE A 57 0.901 -3.595 -5.354 1.00 0.00 N ATOM 884 CA PHE A 57 -0.064 -4.179 -4.412 1.00 0.00 C ATOM 885 C PHE A 57 -1.264 -4.795 -5.154 1.00 0.00 C ATOM 886 O PHE A 57 -1.664 -5.926 -4.883 1.00 0.00 O ATOM 887 CB PHE A 57 -0.521 -3.104 -3.423 1.00 0.00 C ATOM 888 CG PHE A 57 -1.484 -3.628 -2.375 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.840 -3.821 -2.703 1.00 0.00 C ATOM 890 CD2 PHE A 57 -1.027 -3.956 -1.084 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.722 -4.381 -1.768 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.927 -4.461 -0.129 1.00 0.00 C ATOM 893 CZ PHE A 57 -3.269 -4.692 -0.476 1.00 0.00 C ATOM 0 H PHE A 57 1.158 -2.632 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 57 0.422 -4.985 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.352 -2.682 -2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.998 -2.293 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.202 -3.536 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.013 -3.820 -0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.749 -4.573 -2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.586 -4.672 0.874 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.951 -5.108 0.250 1.00 0.00 H new ATOM 903 N TRP A 58 -1.795 -4.096 -6.159 1.00 0.00 N ATOM 904 CA TRP A 58 -2.904 -4.586 -6.991 1.00 0.00 C ATOM 905 C TRP A 58 -2.495 -5.656 -8.028 1.00 0.00 C ATOM 906 O TRP A 58 -3.370 -6.336 -8.568 1.00 0.00 O ATOM 907 CB TRP A 58 -3.640 -3.391 -7.607 1.00 0.00 C ATOM 908 CG TRP A 58 -3.992 -2.324 -6.610 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.400 -1.113 -6.525 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.936 -2.377 -5.491 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.856 -0.442 -5.409 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.813 -1.168 -4.735 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.875 -3.327 -5.029 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.578 -0.917 -3.586 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.646 -3.085 -3.876 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.500 -1.884 -3.162 1.00 0.00 C ATOM 0 H TRP A 58 -1.468 -3.167 -6.423 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.594 -5.124 -6.341 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.018 -2.955 -8.389 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.553 -3.745 -8.086 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.676 -0.727 -7.227 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.525 0.478 -5.119 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.003 -4.253 -5.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.459 0.006 -3.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.354 -3.827 -3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -7.101 -1.705 -2.283 1.00 0.00 H new ATOM 927 N LYS A 59 -1.188 -5.888 -8.251 1.00 0.00 N ATOM 928 CA LYS A 59 -0.668 -7.100 -8.928 1.00 0.00 C ATOM 929 C LYS A 59 -0.700 -8.314 -7.996 1.00 0.00 C ATOM 930 O LYS A 59 -0.990 -9.423 -8.443 1.00 0.00 O ATOM 931 CB LYS A 59 0.766 -6.918 -9.438 1.00 0.00 C ATOM 932 CG LYS A 59 0.890 -5.769 -10.428 1.00 0.00 C ATOM 933 CD LYS A 59 2.346 -5.639 -10.886 1.00 0.00 C ATOM 934 CE LYS A 59 2.467 -4.385 -11.744 1.00 0.00 C ATOM 935 NZ LYS A 59 2.571 -3.157 -10.913 1.00 0.00 N ATOM 0 H LYS A 59 -0.455 -5.238 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.325 -7.267 -9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.429 -6.738 -8.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.099 -7.841 -9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.242 -5.945 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.560 -4.839 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.011 -5.575 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.645 -6.519 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.345 -4.466 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.600 -4.308 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.787 -2.343 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.669 -2.993 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.330 -3.276 -10.212 1.00 0.00 H new ATOM 949 N VAL A 60 -0.413 -8.107 -6.704 1.00 0.00 N ATOM 950 CA VAL A 60 -0.564 -9.136 -5.652 1.00 0.00 C ATOM 951 C VAL A 60 -2.053 -9.437 -5.407 1.00 0.00 C ATOM 952 O VAL A 60 -2.430 -10.591 -5.195 1.00 0.00 O ATOM 953 CB VAL A 60 0.170 -8.719 -4.356 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.039 -9.762 -3.240 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.669 -8.523 -4.614 1.00 0.00 C ATOM 0 H VAL A 60 -0.066 -7.215 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.095 -10.058 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.302 -7.789 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.573 -9.417 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.014 -9.904 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.464 -10.708 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.162 -8.230 -3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.101 -9.456 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.810 -7.743 -5.362 1.00 0.00 H new ATOM 965 N GLY A 61 -2.915 -8.424 -5.540 1.00 0.00 N ATOM 966 CA GLY A 61 -4.360 -8.579 -5.751 1.00 0.00 C ATOM 967 C GLY A 61 -5.174 -8.972 -4.513 1.00 0.00 C ATOM 968 O GLY A 61 -6.271 -9.515 -4.655 1.00 0.00 O ATOM 0 H GLY A 61 -2.621 -7.448 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.755 -7.640 -6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.517 -9.334 -6.521 1.00 0.00 H new ATOM 972 N HIS A 62 -4.656 -8.727 -3.304 1.00 0.00 N ATOM 973 CA HIS A 62 -5.380 -8.988 -2.050 1.00 0.00 C ATOM 974 C HIS A 62 -6.562 -8.018 -1.887 1.00 0.00 C ATOM 975 O HIS A 62 -6.404 -6.801 -2.016 1.00 0.00 O ATOM 976 CB HIS A 62 -4.424 -8.908 -0.849 1.00 0.00 C ATOM 977 CG HIS A 62 -3.524 -10.110 -0.647 1.00 0.00 C ATOM 978 ND1 HIS A 62 -2.969 -10.488 0.580 1.00 0.00 N ATOM 979 CD2 HIS A 62 -3.132 -11.014 -1.595 1.00 0.00 C ATOM 980 CE1 HIS A 62 -2.247 -11.595 0.340 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.328 -11.934 -0.957 1.00 0.00 N ATOM 0 H HIS A 62 -3.722 -8.342 -3.165 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.786 -9.999 -2.091 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.798 -8.023 -0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.016 -8.764 0.055 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -3.400 -11.008 -2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.682 -12.136 1.084 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.873 -12.735 -1.395 1.00 0.00 H new ATOM 989 N SER A 63 -7.752 -8.557 -1.611 1.00 0.00 N ATOM 990 CA SER A 63 -9.001 -7.786 -1.523 1.00 0.00 C ATOM 991 C SER A 63 -9.130 -7.020 -0.208 1.00 0.00 C ATOM 992 O SER A 63 -8.803 -7.525 0.868 1.00 0.00 O ATOM 993 CB SER A 63 -10.222 -8.696 -1.709 1.00 0.00 C ATOM 994 OG SER A 63 -10.163 -9.364 -2.960 1.00 0.00 O ATOM 0 H SER A 63 -7.880 -9.554 -1.440 1.00 0.00 H new ATOM 0 HA SER A 63 -8.964 -7.055 -2.330 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.263 -9.427 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.135 -8.104 -1.650 1.00 0.00 H new ATOM 0 HG SER A 63 -10.949 -9.941 -3.060 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.663 -5.803 -0.302 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.838 -4.868 0.811 1.00 0.00 C ATOM 1002 C ILE A 64 -11.313 -4.449 0.842 1.00 0.00 C ATOM 1003 O ILE A 64 -11.868 -4.043 -0.182 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.883 -3.661 0.664 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.464 -4.038 0.172 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.831 -2.895 1.996 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.439 -2.901 0.262 1.00 0.00 C ATOM 0 H ILE A 64 -9.998 -5.426 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.583 -5.340 1.760 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.288 -3.021 -0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.103 -4.884 0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.529 -4.371 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.159 -2.042 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.830 -2.543 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.467 -3.556 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.474 -3.252 -0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.773 -2.061 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.341 -2.581 1.299 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.961 -4.596 2.001 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.424 -4.479 2.185 1.00 0.00 C ATOM 1021 C ARG A 65 -13.828 -3.441 3.239 1.00 0.00 C ATOM 1022 O ARG A 65 -14.951 -2.939 3.201 1.00 0.00 O ATOM 1023 CB ARG A 65 -14.065 -5.867 2.435 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.296 -6.803 3.389 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.266 -7.683 2.658 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.060 -7.884 3.479 1.00 0.00 N ATOM 1027 CZ ARG A 65 -10.202 -8.882 3.445 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -10.337 -9.918 2.664 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.178 -8.832 4.240 1.00 0.00 N ATOM 0 H ARG A 65 -11.472 -4.807 2.871 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.827 -4.093 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.067 -5.716 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.178 -6.371 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.786 -6.205 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.006 -7.442 3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.712 -8.649 2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.992 -7.217 1.712 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.864 -7.154 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.139 -9.983 2.038 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.640 -10.663 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.057 -8.036 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.494 -9.589 4.239 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.905 -3.062 4.124 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.997 -1.889 5.003 1.00 0.00 C ATOM 1045 C HIS A 66 -11.646 -1.157 5.045 1.00 0.00 C ATOM 1046 O HIS A 66 -10.934 -1.213 6.047 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.628 -2.223 6.376 1.00 0.00 C ATOM 1048 CG HIS A 66 -13.097 -3.374 7.210 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -12.770 -4.622 6.767 1.00 0.00 N flip ATOM 1050 CD2 HIS A 66 -13.053 -3.396 8.609 1.00 0.00 C flip ATOM 1051 CE1 HIS A 66 -12.468 -5.388 7.867 1.00 0.00 C flip ATOM 1052 NE2 HIS A 66 -12.651 -4.631 8.957 1.00 0.00 N flip ATOM 0 H HIS A 66 -12.038 -3.582 4.255 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.705 -1.175 4.584 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.559 -1.324 6.988 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.688 -2.412 6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.294 -2.582 9.277 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.141 -6.417 7.855 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -12.506 -4.947 9.916 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.249 -0.482 3.945 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.886 0.021 3.760 1.00 0.00 C ATOM 1062 C PRO A 67 -9.437 1.058 4.792 1.00 0.00 C ATOM 1063 O PRO A 67 -8.255 1.106 5.117 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.841 0.602 2.337 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.305 0.898 2.023 1.00 0.00 C ATOM 1066 CD PRO A 67 -12.032 -0.230 2.742 1.00 0.00 C ATOM 0 HA PRO A 67 -9.184 -0.801 3.904 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.231 1.504 2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.414 -0.107 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.609 1.877 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.500 0.888 0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.054 0.055 2.990 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.092 -1.121 2.117 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.356 1.829 5.374 1.00 0.00 N ATOM 1075 CA ASP A 68 -10.035 2.785 6.440 1.00 0.00 C ATOM 1076 C ASP A 68 -9.581 2.087 7.743 1.00 0.00 C ATOM 1077 O ASP A 68 -8.919 2.692 8.588 1.00 0.00 O ATOM 1078 CB ASP A 68 -11.273 3.668 6.665 1.00 0.00 C ATOM 1079 CG ASP A 68 -11.110 4.686 7.808 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -10.416 5.712 7.616 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -11.721 4.486 8.886 1.00 0.00 O ATOM 0 H ASP A 68 -11.344 1.810 5.122 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.187 3.398 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.498 4.204 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.130 3.029 6.879 1.00 0.00 H new ATOM 1086 N VAL A 69 -9.906 0.797 7.876 1.00 0.00 N ATOM 1087 CA VAL A 69 -9.567 -0.074 9.007 1.00 0.00 C ATOM 1088 C VAL A 69 -8.401 -1.010 8.663 1.00 0.00 C ATOM 1089 O VAL A 69 -7.523 -1.246 9.494 1.00 0.00 O ATOM 1090 CB VAL A 69 -10.799 -0.909 9.419 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -10.564 -1.647 10.742 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.067 -0.054 9.565 1.00 0.00 C ATOM 0 H VAL A 69 -10.441 0.306 7.160 1.00 0.00 H new ATOM 0 HA VAL A 69 -9.260 0.562 9.838 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.946 -1.627 8.613 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -11.452 -2.224 11.000 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.712 -2.319 10.637 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.360 -0.923 11.531 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -12.903 -0.690 9.856 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -11.907 0.707 10.329 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.292 0.429 8.614 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.381 -1.541 7.437 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.445 -2.600 7.015 1.00 0.00 C ATOM 1104 C GLU A 70 -6.148 -2.073 6.403 1.00 0.00 C ATOM 1105 O GLU A 70 -5.125 -2.754 6.480 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.114 -3.531 5.990 1.00 0.00 C ATOM 1107 CG GLU A 70 -9.346 -4.282 6.496 1.00 0.00 C ATOM 1108 CD GLU A 70 -9.898 -5.194 5.390 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -10.540 -4.701 4.430 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -9.697 -6.429 5.468 1.00 0.00 O ATOM 0 H GLU A 70 -9.019 -1.248 6.698 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.187 -3.135 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.401 -2.940 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.378 -4.260 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.085 -4.876 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.112 -3.572 6.809 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.182 -0.880 5.807 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.011 -0.171 5.291 1.00 0.00 C ATOM 1119 C VAL A 71 -4.520 0.796 6.359 1.00 0.00 C ATOM 1120 O VAL A 71 -4.994 1.923 6.505 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.292 0.503 3.943 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.958 0.953 3.367 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.906 -0.479 2.942 1.00 0.00 C ATOM 0 H VAL A 71 -7.051 -0.366 5.666 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.213 -0.883 5.080 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.985 1.329 4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.122 1.438 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.485 1.656 4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.310 0.087 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.092 0.033 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.218 -1.308 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.846 -0.862 3.338 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.541 0.335 7.124 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.785 1.165 8.050 1.00 0.00 C ATOM 1135 C ASP A 72 -2.105 2.322 7.291 1.00 0.00 C ATOM 1136 O ASP A 72 -1.596 2.143 6.188 1.00 0.00 O ATOM 1137 CB ASP A 72 -1.795 0.247 8.766 1.00 0.00 C ATOM 1138 CG ASP A 72 -0.946 0.991 9.799 1.00 0.00 C ATOM 1139 OD1 ASP A 72 0.048 1.635 9.396 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -1.264 0.915 11.009 1.00 0.00 O ATOM 0 H ASP A 72 -3.245 -0.641 7.118 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.426 1.639 8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.342 -0.556 9.260 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.140 -0.219 8.030 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.139 3.532 7.845 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.597 4.730 7.196 1.00 0.00 C ATOM 1147 C GLY A 73 -2.514 5.373 6.151 1.00 0.00 C ATOM 1148 O GLY A 73 -2.152 6.398 5.578 1.00 0.00 O ATOM 0 H GLY A 73 -2.545 3.713 8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.372 5.470 7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.653 4.470 6.718 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.736 4.864 5.949 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.762 5.540 5.140 1.00 0.00 C ATOM 1154 C PHE A 74 -5.053 6.967 5.653 1.00 0.00 C ATOM 1155 O PHE A 74 -5.277 7.885 4.864 1.00 0.00 O ATOM 1156 CB PHE A 74 -6.017 4.659 5.142 1.00 0.00 C ATOM 1157 CG PHE A 74 -7.159 5.162 4.286 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -7.166 4.900 2.903 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -8.230 5.863 4.874 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.240 5.343 2.112 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -9.304 6.303 4.080 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.302 6.047 2.701 1.00 0.00 C ATOM 0 H PHE A 74 -4.042 3.973 6.341 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.404 5.667 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.741 3.661 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.370 4.560 6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.348 4.360 2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -8.226 6.063 5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.248 5.142 1.051 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.128 6.836 4.531 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.122 6.393 2.089 1.00 0.00 H new ATOM 1172 N SER A 75 -4.944 7.182 6.968 1.00 0.00 N ATOM 1173 CA SER A 75 -5.056 8.493 7.634 1.00 0.00 C ATOM 1174 C SER A 75 -3.858 9.433 7.402 1.00 0.00 C ATOM 1175 O SER A 75 -3.953 10.626 7.687 1.00 0.00 O ATOM 1176 CB SER A 75 -5.233 8.288 9.145 1.00 0.00 C ATOM 1177 OG SER A 75 -6.321 7.416 9.415 1.00 0.00 O ATOM 0 H SER A 75 -4.769 6.423 7.626 1.00 0.00 H new ATOM 0 HA SER A 75 -5.923 8.977 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.318 7.876 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.404 9.250 9.629 1.00 0.00 H new ATOM 0 HG SER A 75 -6.414 7.299 10.384 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.730 8.928 6.887 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.532 9.718 6.542 1.00 0.00 C ATOM 1185 C GLU A 76 -1.607 10.295 5.110 1.00 0.00 C ATOM 1186 O GLU A 76 -0.827 11.182 4.753 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.256 8.865 6.724 1.00 0.00 C ATOM 1188 CG GLU A 76 -0.049 8.361 8.165 1.00 0.00 C ATOM 1189 CD GLU A 76 1.059 7.293 8.281 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.126 7.398 7.631 1.00 0.00 O ATOM 1191 OE2 GLU A 76 0.881 6.312 9.040 1.00 0.00 O ATOM 0 H GLU A 76 -2.618 7.933 6.692 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.491 10.566 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.303 8.008 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.611 9.455 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.201 9.206 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.986 7.945 8.536 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.559 9.819 4.295 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.836 10.297 2.937 1.00 0.00 C ATOM 1200 C LEU A 77 -3.746 11.540 2.916 1.00 0.00 C ATOM 1201 O LEU A 77 -4.473 11.817 3.875 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.485 9.167 2.119 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.670 7.873 1.963 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -3.508 6.897 1.135 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -1.331 8.092 1.263 1.00 0.00 C ATOM 0 H LEU A 77 -3.180 9.061 4.577 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.883 10.590 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.438 8.915 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.707 9.552 1.124 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.447 7.488 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.958 5.965 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.447 6.695 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.717 7.334 0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.803 7.142 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.504 8.496 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.729 8.794 1.840 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.759 12.258 1.785 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.772 13.278 1.454 1.00 0.00 C ATOM 1219 C ARG A 78 -6.011 12.672 0.796 1.00 0.00 C ATOM 1220 O ARG A 78 -5.988 11.543 0.300 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.153 14.392 0.582 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.263 15.352 1.384 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.091 16.204 2.363 1.00 0.00 C ATOM 1224 NE ARG A 78 -3.249 17.187 3.074 1.00 0.00 N ATOM 1225 CZ ARG A 78 -2.542 16.991 4.174 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -2.500 15.838 4.783 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -1.849 17.965 4.690 1.00 0.00 N ATOM 0 H ARG A 78 -3.053 12.146 1.058 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.108 13.723 2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.564 13.938 -0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.952 14.959 0.104 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.517 14.782 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.722 16.005 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.878 16.725 1.817 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.582 15.554 3.087 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.208 18.123 2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.025 15.046 4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.942 15.729 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.850 18.883 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.305 17.810 5.539 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.092 13.453 0.782 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.425 13.025 0.343 1.00 0.00 C ATOM 1243 C TRP A 79 -8.443 12.420 -1.075 1.00 0.00 C ATOM 1244 O TRP A 79 -9.158 11.448 -1.317 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.417 14.196 0.502 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.399 14.393 -0.613 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.625 13.832 -0.719 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.215 15.180 -1.828 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.208 14.220 -1.911 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.382 15.052 -2.637 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.161 15.972 -2.329 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.503 15.690 -3.882 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.267 16.612 -3.579 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.434 16.475 -4.354 1.00 0.00 C ATOM 0 H TRP A 79 -7.066 14.427 1.083 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.741 12.205 0.988 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -9.975 14.048 1.427 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.844 15.116 0.619 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.078 13.181 0.014 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.136 13.927 -2.216 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.260 16.089 -1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.403 15.580 -4.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.447 17.212 -3.945 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.509 16.972 -5.310 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.626 12.936 -2.000 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.599 12.463 -3.391 1.00 0.00 C ATOM 1267 C ASP A 80 -6.944 11.077 -3.558 1.00 0.00 C ATOM 1268 O ASP A 80 -7.331 10.307 -4.435 1.00 0.00 O ATOM 1269 CB ASP A 80 -6.928 13.503 -4.295 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.128 13.163 -5.783 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.285 12.896 -6.193 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -6.134 13.188 -6.549 1.00 0.00 O ATOM 0 H ASP A 80 -6.967 13.690 -1.808 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.638 12.338 -3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.341 14.490 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.862 13.550 -4.070 1.00 0.00 H new ATOM 1277 N ASP A 81 -5.981 10.725 -2.701 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.384 9.392 -2.657 1.00 0.00 C ATOM 1279 C ASP A 81 -6.241 8.448 -1.812 1.00 0.00 C ATOM 1280 O ASP A 81 -6.386 7.291 -2.185 1.00 0.00 O ATOM 1281 CB ASP A 81 -3.940 9.459 -2.149 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.011 10.093 -3.192 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.742 9.439 -4.228 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.538 11.230 -2.959 1.00 0.00 O ATOM 0 H ASP A 81 -5.591 11.367 -2.011 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.353 8.990 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.903 10.038 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.590 8.455 -1.909 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.899 8.932 -0.752 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.893 8.161 -0.003 1.00 0.00 C ATOM 1291 C GLN A 82 -9.042 7.688 -0.902 1.00 0.00 C ATOM 1292 O GLN A 82 -9.300 6.487 -0.977 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.441 9.006 1.157 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.451 9.076 2.325 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.927 9.965 3.473 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.847 10.769 3.363 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.304 9.874 4.626 1.00 0.00 N ATOM 0 H GLN A 82 -6.755 9.874 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.400 7.273 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.657 10.014 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.383 8.581 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.276 8.069 2.704 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.495 9.449 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.536 9.212 4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.588 10.465 5.407 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.684 8.588 -1.656 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.806 8.213 -2.529 1.00 0.00 C ATOM 1308 C GLN A 83 -10.382 7.285 -3.679 1.00 0.00 C ATOM 1309 O GLN A 83 -11.180 6.462 -4.126 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.560 9.464 -3.022 1.00 0.00 C ATOM 1311 CG GLN A 83 -10.814 10.313 -4.069 1.00 0.00 C ATOM 1312 CD GLN A 83 -11.542 11.612 -4.430 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -12.692 11.850 -4.074 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -10.928 12.510 -5.172 1.00 0.00 N ATOM 0 H GLN A 83 -9.447 9.580 -1.680 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.502 7.627 -1.929 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -12.514 9.149 -3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.786 10.094 -2.162 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -9.821 10.555 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -10.674 9.721 -4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.972 12.345 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.409 13.371 -5.433 1.00 0.00 H new ATOM 1323 N LYS A 84 -9.120 7.356 -4.123 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.548 6.531 -5.185 1.00 0.00 C ATOM 1325 C LYS A 84 -8.060 5.186 -4.651 1.00 0.00 C ATOM 1326 O LYS A 84 -8.245 4.190 -5.336 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.472 7.369 -5.886 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.725 6.648 -7.021 1.00 0.00 C ATOM 1329 CD LYS A 84 -5.300 6.286 -6.589 1.00 0.00 C ATOM 1330 CE LYS A 84 -4.445 7.557 -6.472 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.103 7.276 -5.911 1.00 0.00 N ATOM 0 H LYS A 84 -8.447 8.017 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.300 6.256 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.939 8.267 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.745 7.695 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.266 5.744 -7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.691 7.287 -7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.323 5.765 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.854 5.604 -7.313 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.338 8.013 -7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.958 8.281 -5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.865 7.998 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.104 6.337 -5.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.397 7.295 -6.674 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.543 5.100 -3.423 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.271 3.811 -2.742 1.00 0.00 C ATOM 1347 C VAL A 85 -8.586 3.063 -2.498 1.00 0.00 C ATOM 1348 O VAL A 85 -8.683 1.885 -2.839 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.493 4.026 -1.419 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.468 2.797 -0.491 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -5.029 4.400 -1.682 1.00 0.00 C ATOM 0 H VAL A 85 -7.297 5.917 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.640 3.203 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.038 4.832 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.904 3.034 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.488 2.525 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.995 1.961 -1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.514 4.543 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.544 3.600 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.988 5.323 -2.260 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.630 3.750 -2.005 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.977 3.169 -1.850 1.00 0.00 C ATOM 1363 C LYS A 86 -11.559 2.719 -3.198 1.00 0.00 C ATOM 1364 O LYS A 86 -12.010 1.580 -3.314 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.925 4.157 -1.147 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.560 4.412 0.328 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.583 5.315 1.040 1.00 0.00 C ATOM 1368 CE LYS A 86 -13.905 4.585 1.299 1.00 0.00 C ATOM 1369 NZ LYS A 86 -14.902 5.470 1.960 1.00 0.00 N ATOM 0 H LYS A 86 -9.566 4.722 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.879 2.283 -1.222 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.914 5.105 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.943 3.772 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.494 3.459 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.574 4.874 0.381 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.167 5.659 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.770 6.201 0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.311 4.221 0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.722 3.712 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.784 4.942 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.525 5.797 2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.095 6.291 1.351 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.474 3.557 -4.241 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.942 3.209 -5.598 1.00 0.00 C ATOM 1385 C LYS A 87 -11.157 2.044 -6.197 1.00 0.00 C ATOM 1386 O LYS A 87 -11.759 1.139 -6.763 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.922 4.448 -6.499 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.557 4.152 -7.866 1.00 0.00 C ATOM 1389 CD LYS A 87 -12.849 5.463 -8.599 1.00 0.00 C ATOM 1390 CE LYS A 87 -13.562 5.248 -9.942 1.00 0.00 C ATOM 1391 NZ LYS A 87 -12.679 4.629 -10.968 1.00 0.00 N ATOM 0 H LYS A 87 -11.080 4.495 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.974 2.865 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.460 5.262 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.894 4.783 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.886 3.533 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.479 3.586 -7.734 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.465 6.100 -7.964 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.913 5.994 -8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.434 4.613 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.927 6.206 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.209 4.506 -11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.859 5.246 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.351 3.702 -10.630 1.00 0.00 H new ATOM 1405 N THR A 88 -9.839 2.006 -6.015 1.00 0.00 N ATOM 1406 CA THR A 88 -8.977 0.919 -6.499 1.00 0.00 C ATOM 1407 C THR A 88 -9.249 -0.409 -5.781 1.00 0.00 C ATOM 1408 O THR A 88 -9.191 -1.461 -6.417 1.00 0.00 O ATOM 1409 CB THR A 88 -7.489 1.294 -6.442 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.257 2.506 -7.124 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.654 0.275 -7.200 1.00 0.00 C ATOM 0 H THR A 88 -9.328 2.738 -5.521 1.00 0.00 H new ATOM 0 HA THR A 88 -9.235 0.770 -7.548 1.00 0.00 H new ATOM 0 HB THR A 88 -7.225 1.351 -5.386 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.272 3.249 -6.485 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.602 0.556 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.788 -0.710 -6.753 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.972 0.247 -8.242 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.651 -0.383 -4.506 1.00 0.00 N ATOM 1420 CA ALA A 89 -10.072 -1.572 -3.770 1.00 0.00 C ATOM 1421 C ALA A 89 -11.414 -2.117 -4.288 1.00 0.00 C ATOM 1422 O ALA A 89 -11.606 -3.332 -4.344 1.00 0.00 O ATOM 1423 CB ALA A 89 -10.143 -1.225 -2.281 1.00 0.00 C ATOM 0 H ALA A 89 -9.692 0.474 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.342 -2.367 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.456 -2.104 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.161 -0.903 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.863 -0.421 -2.129 1.00 0.00 H new ATOM 1429 N GLU A 90 -12.319 -1.234 -4.729 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.562 -1.638 -5.399 1.00 0.00 C ATOM 1431 C GLU A 90 -13.331 -2.113 -6.849 1.00 0.00 C ATOM 1432 O GLU A 90 -13.999 -3.035 -7.322 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.593 -0.496 -5.373 1.00 0.00 C ATOM 1434 CG GLU A 90 -15.090 -0.168 -3.959 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.216 0.883 -4.004 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.922 2.103 -4.024 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.412 0.495 -4.018 1.00 0.00 O ATOM 0 H GLU A 90 -12.211 -0.224 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.953 -2.488 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.149 0.397 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.444 -0.768 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.453 -1.076 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.263 0.205 -3.355 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.369 -1.504 -7.549 1.00 0.00 N ATOM 1445 CA ALA A 91 -12.031 -1.765 -8.949 1.00 0.00 C ATOM 1446 C ALA A 91 -11.136 -3.008 -9.158 1.00 0.00 C ATOM 1447 O ALA A 91 -11.152 -3.611 -10.235 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.360 -0.494 -9.492 1.00 0.00 C ATOM 0 H ALA A 91 -11.778 -0.783 -7.135 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.945 -2.000 -9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -11.090 -0.643 -10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -12.051 0.345 -9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.462 -0.280 -8.912 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.348 -3.392 -8.146 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.387 -4.503 -8.195 1.00 0.00 C ATOM 1456 C GLY A 92 -8.093 -4.211 -8.977 1.00 0.00 C ATOM 1457 O GLY A 92 -7.340 -5.140 -9.276 1.00 0.00 O ATOM 0 H GLY A 92 -10.362 -2.923 -7.240 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.122 -4.780 -7.174 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.877 -5.368 -8.643 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.832 -2.947 -9.331 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.687 -2.521 -10.137 1.00 0.00 C ATOM 1463 C GLY A 93 -6.812 -1.069 -10.609 1.00 0.00 C ATOM 1464 O GLY A 93 -7.904 -0.603 -10.944 1.00 0.00 O ATOM 0 H GLY A 93 -8.432 -2.170 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.774 -2.633 -9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.593 -3.175 -11.004 1.00 0.00 H new