USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 10 MET CE :methyl 166:sc= 0 (180deg=-0.325) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -124:sc= 0.928 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-10!) USER MOD Single : A 32 LYS NZ :NH3+ -156:sc= -0.0608 (180deg=-0.434) USER MOD Single : A 33 ASN : amide:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.735 F(o=-1.3,f=-0.74) USER MOD Single : A 57 THR OG1 : rot -52:sc= -0.274! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -51:sc= 0.441 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.513 K(o=-0.51,f=-3.2!) USER MOD Single : A 75 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.31) USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0308) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= -1.28 (180deg=-3.99!) USER MOD Single : A 89 HIS : no HD1:sc= -0.0626 X(o=-0.063,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -76:sc= -1.06 USER MOD Single : A 92 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.12) USER MOD Single : A 99 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.54) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.109 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.126 0.174 5.670 1.00 0.00 N ATOM 92 CA MET A 10 -5.859 0.737 6.105 1.00 0.00 C ATOM 93 C MET A 10 -5.883 2.265 6.030 1.00 0.00 C ATOM 94 O MET A 10 -6.381 2.834 5.060 1.00 0.00 O ATOM 95 CB MET A 10 -4.731 0.199 5.222 1.00 0.00 C ATOM 96 CG MET A 10 -3.406 0.165 5.986 1.00 0.00 C ATOM 97 SD MET A 10 -3.477 -1.066 7.277 1.00 0.00 S ATOM 98 CE MET A 10 -2.121 -0.519 8.301 1.00 0.00 C ATOM 0 HA MET A 10 -5.690 0.446 7.142 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.982 -0.804 4.876 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.628 0.825 4.336 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.588 -0.060 5.302 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.200 1.145 6.417 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.174 -1.015 9.270 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.176 -0.768 7.817 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.184 0.560 8.442 1.00 0.00 H new ATOM 108 N SER A 11 -5.339 2.885 7.067 1.00 0.00 N ATOM 109 CA SER A 11 -5.291 4.336 7.130 1.00 0.00 C ATOM 110 C SER A 11 -4.369 4.780 8.267 1.00 0.00 C ATOM 111 O SER A 11 -4.245 4.088 9.277 1.00 0.00 O ATOM 112 CB SER A 11 -6.690 4.925 7.321 1.00 0.00 C ATOM 113 OG SER A 11 -7.260 4.553 8.573 1.00 0.00 O ATOM 0 H SER A 11 -4.928 2.409 7.870 1.00 0.00 H new ATOM 0 HA SER A 11 -4.896 4.707 6.184 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.638 6.012 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.339 4.587 6.513 1.00 0.00 H new ATOM 0 HG SER A 11 -8.152 4.950 8.657 1.00 0.00 H new ATOM 119 N GLY A 12 -3.745 5.931 8.065 1.00 0.00 N ATOM 120 CA GLY A 12 -2.837 6.475 9.060 1.00 0.00 C ATOM 121 C GLY A 12 -1.737 7.309 8.401 1.00 0.00 C ATOM 122 O GLY A 12 -1.184 6.914 7.375 1.00 0.00 O ATOM 0 H GLY A 12 -3.850 6.502 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.393 7.092 9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.389 5.662 9.632 1.00 0.00 H new ATOM 126 N TYR A 13 -1.451 8.447 9.017 1.00 0.00 N ATOM 127 CA TYR A 13 -0.427 9.340 8.503 1.00 0.00 C ATOM 128 C TYR A 13 0.794 8.554 8.021 1.00 0.00 C ATOM 129 O TYR A 13 1.258 7.641 8.703 1.00 0.00 O ATOM 130 CB TYR A 13 -0.015 10.230 9.677 1.00 0.00 C ATOM 131 CG TYR A 13 -1.022 11.335 10.003 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.326 12.293 9.057 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.625 11.374 11.244 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.273 13.333 9.364 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.573 12.414 11.551 1.00 0.00 C ATOM 136 CZ TYR A 13 -2.850 13.342 10.596 1.00 0.00 C ATOM 137 OH TYR A 13 -3.745 14.324 10.886 1.00 0.00 O ATOM 0 H TYR A 13 -1.911 8.771 9.868 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.807 9.913 7.657 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.124 9.607 10.561 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.949 10.686 9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.853 12.262 8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.386 10.625 11.984 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.520 14.089 8.633 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.053 12.456 12.518 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.077 14.204 11.800 1.00 0.00 H new ATOM 147 N LEU A 14 1.280 8.936 6.849 1.00 0.00 N ATOM 148 CA LEU A 14 2.438 8.279 6.269 1.00 0.00 C ATOM 149 C LEU A 14 3.447 9.337 5.817 1.00 0.00 C ATOM 150 O LEU A 14 3.152 10.530 5.840 1.00 0.00 O ATOM 151 CB LEU A 14 2.009 7.322 5.154 1.00 0.00 C ATOM 152 CG LEU A 14 1.393 5.998 5.608 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.683 5.298 4.447 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.444 5.099 6.262 1.00 0.00 C ATOM 0 H LEU A 14 0.892 9.693 6.285 1.00 0.00 H new ATOM 0 HA LEU A 14 2.937 7.660 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.288 7.836 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.880 7.102 4.536 1.00 0.00 H new ATOM 0 HG LEU A 14 0.639 6.214 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.254 4.359 4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.111 5.940 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.400 5.095 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.979 4.164 6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.238 4.887 5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.865 5.604 7.131 1.00 0.00 H new ATOM 166 N TYR A 15 4.617 8.860 5.416 1.00 0.00 N ATOM 167 CA TYR A 15 5.670 9.750 4.959 1.00 0.00 C ATOM 168 C TYR A 15 6.008 9.492 3.489 1.00 0.00 C ATOM 169 O TYR A 15 6.715 8.538 3.169 1.00 0.00 O ATOM 170 CB TYR A 15 6.896 9.427 5.815 1.00 0.00 C ATOM 171 CG TYR A 15 6.724 9.759 7.299 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.986 10.862 7.678 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.308 8.957 8.258 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.824 11.175 9.074 1.00 0.00 C ATOM 175 CE2 TYR A 15 7.146 9.271 9.654 1.00 0.00 C ATOM 176 CZ TYR A 15 6.412 10.364 9.993 1.00 0.00 C ATOM 177 OH TYR A 15 6.260 10.660 11.312 1.00 0.00 O ATOM 0 H TYR A 15 4.858 7.869 5.398 1.00 0.00 H new ATOM 0 HA TYR A 15 5.358 10.791 5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.127 8.366 5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.753 9.978 5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.530 11.490 6.927 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.886 8.094 7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.248 12.035 9.384 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.598 8.652 10.415 1.00 0.00 H new ATOM 0 HH TYR A 15 6.733 9.994 11.853 1.00 0.00 H new ATOM 187 N ARG A 16 5.484 10.359 2.634 1.00 0.00 N ATOM 188 CA ARG A 16 5.721 10.236 1.206 1.00 0.00 C ATOM 189 C ARG A 16 6.948 11.055 0.799 1.00 0.00 C ATOM 190 O ARG A 16 7.019 12.252 1.073 1.00 0.00 O ATOM 191 CB ARG A 16 4.509 10.714 0.404 1.00 0.00 C ATOM 192 CG ARG A 16 4.366 9.923 -0.898 1.00 0.00 C ATOM 193 CD ARG A 16 3.224 10.476 -1.753 1.00 0.00 C ATOM 194 NE ARG A 16 2.621 9.389 -2.557 1.00 0.00 N ATOM 195 CZ ARG A 16 1.416 9.463 -3.137 1.00 0.00 C ATOM 196 NH1 ARG A 16 0.676 10.573 -3.005 1.00 0.00 N ATOM 197 NH2 ARG A 16 0.949 8.428 -3.848 1.00 0.00 N ATOM 0 H ARG A 16 4.897 11.149 2.903 1.00 0.00 H new ATOM 0 HA ARG A 16 5.895 9.182 0.988 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.605 10.602 1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.613 11.775 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.299 9.967 -1.459 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.180 8.873 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.467 10.930 -1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.598 11.261 -2.410 1.00 0.00 H new ATOM 0 HE ARG A 16 3.157 8.529 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.031 11.361 -2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.242 10.630 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.511 7.583 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.031 8.485 -4.289 1.00 0.00 H new ATOM 211 N SER A 17 7.884 10.376 0.152 1.00 0.00 N ATOM 212 CA SER A 17 9.105 11.025 -0.295 1.00 0.00 C ATOM 213 C SER A 17 9.392 10.653 -1.751 1.00 0.00 C ATOM 214 O SER A 17 8.792 9.724 -2.288 1.00 0.00 O ATOM 215 CB SER A 17 10.290 10.643 0.594 1.00 0.00 C ATOM 216 OG SER A 17 11.471 11.359 0.246 1.00 0.00 O ATOM 0 H SER A 17 7.821 9.383 -0.073 1.00 0.00 H new ATOM 0 HA SER A 17 8.965 12.104 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.040 10.841 1.636 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.477 9.572 0.509 1.00 0.00 H new ATOM 0 HG SER A 17 12.191 10.725 0.047 1.00 0.00 H new ATOM 222 N LYS A 18 10.311 11.398 -2.349 1.00 0.00 N ATOM 223 CA LYS A 18 10.686 11.158 -3.732 1.00 0.00 C ATOM 224 C LYS A 18 12.086 10.542 -3.777 1.00 0.00 C ATOM 225 O LYS A 18 12.813 10.717 -4.753 1.00 0.00 O ATOM 226 CB LYS A 18 10.551 12.441 -4.554 1.00 0.00 C ATOM 227 CG LYS A 18 9.117 12.623 -5.055 1.00 0.00 C ATOM 228 CD LYS A 18 9.032 12.404 -6.567 1.00 0.00 C ATOM 229 CE LYS A 18 8.479 13.644 -7.271 1.00 0.00 C ATOM 230 NZ LYS A 18 8.666 13.537 -8.735 1.00 0.00 N ATOM 0 H LYS A 18 10.807 12.168 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 18 10.007 10.440 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.839 13.299 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.235 12.407 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.458 11.921 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.767 13.625 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.021 12.169 -6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.393 11.546 -6.778 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.420 13.757 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.983 14.536 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.285 14.387 -9.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.680 13.451 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.165 12.697 -9.089 1.00 0.00 H new ATOM 244 N GLY A 19 12.421 9.834 -2.709 1.00 0.00 N ATOM 245 CA GLY A 19 13.721 9.192 -2.615 1.00 0.00 C ATOM 246 C GLY A 19 14.178 9.090 -1.158 1.00 0.00 C ATOM 247 O GLY A 19 13.410 9.379 -0.241 1.00 0.00 O ATOM 0 H GLY A 19 11.815 9.691 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.671 8.196 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.453 9.759 -3.191 1.00 0.00 H new ATOM 251 N SER A 20 15.426 8.679 -0.990 1.00 0.00 N ATOM 252 CA SER A 20 15.995 8.536 0.339 1.00 0.00 C ATOM 253 C SER A 20 16.517 9.886 0.833 1.00 0.00 C ATOM 254 O SER A 20 16.272 10.270 1.976 1.00 0.00 O ATOM 255 CB SER A 20 17.117 7.496 0.349 1.00 0.00 C ATOM 256 OG SER A 20 16.624 6.180 0.586 1.00 0.00 O ATOM 0 H SER A 20 16.060 8.440 -1.753 1.00 0.00 H new ATOM 0 HA SER A 20 15.210 8.190 1.012 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.642 7.520 -0.606 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.844 7.755 1.119 1.00 0.00 H new ATOM 0 HG SER A 20 17.371 5.545 0.583 1.00 0.00 H new ATOM 262 N LYS A 21 17.227 10.569 -0.052 1.00 0.00 N ATOM 263 CA LYS A 21 17.786 11.869 0.280 1.00 0.00 C ATOM 264 C LYS A 21 16.759 12.958 -0.038 1.00 0.00 C ATOM 265 O LYS A 21 17.107 14.133 -0.143 1.00 0.00 O ATOM 266 CB LYS A 21 19.131 12.069 -0.422 1.00 0.00 C ATOM 267 CG LYS A 21 20.231 11.251 0.258 1.00 0.00 C ATOM 268 CD LYS A 21 21.559 12.011 0.257 1.00 0.00 C ATOM 269 CE LYS A 21 22.044 12.269 1.685 1.00 0.00 C ATOM 270 NZ LYS A 21 22.842 11.124 2.177 1.00 0.00 N ATOM 0 H LYS A 21 17.428 10.247 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 21 17.997 11.931 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 21 19.047 11.774 -1.468 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.398 13.126 -0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.939 11.023 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.353 10.298 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.309 11.438 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.439 12.959 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.646 13.177 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.189 12.433 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.163 11.316 3.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 22.257 10.264 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.668 10.986 1.560 1.00 0.00 H new ATOM 284 N LYS A 22 15.514 12.528 -0.183 1.00 0.00 N ATOM 285 CA LYS A 22 14.434 13.451 -0.486 1.00 0.00 C ATOM 286 C LYS A 22 13.643 13.741 0.790 1.00 0.00 C ATOM 287 O LYS A 22 13.645 12.938 1.722 1.00 0.00 O ATOM 288 CB LYS A 22 13.576 12.913 -1.633 1.00 0.00 C ATOM 289 CG LYS A 22 14.276 13.106 -2.980 1.00 0.00 C ATOM 290 CD LYS A 22 13.654 14.266 -3.760 1.00 0.00 C ATOM 291 CE LYS A 22 13.958 14.146 -5.255 1.00 0.00 C ATOM 292 NZ LYS A 22 13.378 15.289 -5.995 1.00 0.00 N ATOM 0 H LYS A 22 15.229 11.552 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 22 14.833 14.403 -0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.372 11.854 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.614 13.425 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.337 13.299 -2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.204 12.189 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.575 14.277 -3.604 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.040 15.212 -3.381 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.036 14.113 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.551 13.211 -5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.593 15.192 -7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.347 15.303 -5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.786 16.177 -5.638 1.00 0.00 H new ATOM 306 N PRO A 23 12.968 14.922 0.792 1.00 0.00 N ATOM 307 CA PRO A 23 12.174 15.328 1.939 1.00 0.00 C ATOM 308 C PRO A 23 10.865 14.540 2.007 1.00 0.00 C ATOM 309 O PRO A 23 10.160 14.414 1.006 1.00 0.00 O ATOM 310 CB PRO A 23 11.959 16.822 1.760 1.00 0.00 C ATOM 311 CG PRO A 23 12.240 17.111 0.294 1.00 0.00 C ATOM 312 CD PRO A 23 12.943 15.898 -0.293 1.00 0.00 C ATOM 0 HA PRO A 23 12.670 15.121 2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.940 17.105 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.627 17.393 2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.311 17.310 -0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.863 18.000 0.193 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.408 15.512 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.951 16.147 -0.625 1.00 0.00 H new ATOM 320 N TRP A 24 10.578 14.030 3.196 1.00 0.00 N ATOM 321 CA TRP A 24 9.366 13.258 3.407 1.00 0.00 C ATOM 322 C TRP A 24 8.182 14.227 3.407 1.00 0.00 C ATOM 323 O TRP A 24 8.353 15.421 3.648 1.00 0.00 O ATOM 324 CB TRP A 24 9.460 12.428 4.689 1.00 0.00 C ATOM 325 CG TRP A 24 10.602 11.409 4.688 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.828 11.543 5.212 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.573 10.086 4.112 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.588 10.408 5.017 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.801 9.494 4.327 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.543 9.412 3.432 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.114 8.200 3.893 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.873 8.120 3.005 1.00 0.00 C ATOM 333 CH2 TRP A 24 11.104 7.510 3.213 1.00 0.00 C ATOM 0 H TRP A 24 11.165 14.137 4.023 1.00 0.00 H new ATOM 0 HA TRP A 24 9.224 12.536 2.603 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.588 13.101 5.537 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.517 11.902 4.839 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.177 12.428 5.723 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.551 10.266 5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.575 9.856 3.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 13.083 7.758 4.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.117 7.558 2.477 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.281 6.508 2.851 1.00 0.00 H new ATOM 344 N LYS A 25 7.008 13.677 3.135 1.00 0.00 N ATOM 345 CA LYS A 25 5.796 14.478 3.102 1.00 0.00 C ATOM 346 C LYS A 25 4.723 13.807 3.962 1.00 0.00 C ATOM 347 O LYS A 25 4.175 12.773 3.583 1.00 0.00 O ATOM 348 CB LYS A 25 5.359 14.727 1.657 1.00 0.00 C ATOM 349 CG LYS A 25 6.183 15.848 1.020 1.00 0.00 C ATOM 350 CD LYS A 25 6.642 15.460 -0.387 1.00 0.00 C ATOM 351 CE LYS A 25 6.275 16.546 -1.401 1.00 0.00 C ATOM 352 NZ LYS A 25 5.905 15.938 -2.699 1.00 0.00 N ATOM 0 H LYS A 25 6.870 12.686 2.935 1.00 0.00 H new ATOM 0 HA LYS A 25 5.978 15.464 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.473 13.812 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.301 14.990 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.588 16.760 0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.051 16.065 1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.721 15.303 -0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.181 14.516 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.444 17.141 -1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.117 17.225 -1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.659 16.688 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.708 15.390 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.088 15.309 -2.567 1.00 0.00 H new ATOM 366 N HIS A 26 4.455 14.423 5.104 1.00 0.00 N ATOM 367 CA HIS A 26 3.457 13.899 6.021 1.00 0.00 C ATOM 368 C HIS A 26 2.059 14.116 5.437 1.00 0.00 C ATOM 369 O HIS A 26 1.583 15.248 5.362 1.00 0.00 O ATOM 370 CB HIS A 26 3.621 14.515 7.412 1.00 0.00 C ATOM 371 CG HIS A 26 2.423 14.326 8.312 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.469 15.310 8.507 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.035 13.258 9.066 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.553 14.844 9.343 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.906 13.573 9.689 1.00 0.00 N ATOM 0 H HIS A 26 4.912 15.280 5.415 1.00 0.00 H new ATOM 0 HA HIS A 26 3.599 12.825 6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.496 14.076 7.892 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.818 15.582 7.305 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.558 12.316 9.143 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.320 15.377 9.690 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.388 12.964 10.322 1.00 0.00 H new ATOM 383 N LEU A 27 1.442 13.013 5.039 1.00 0.00 N ATOM 384 CA LEU A 27 0.108 13.069 4.465 1.00 0.00 C ATOM 385 C LEU A 27 -0.709 11.877 4.968 1.00 0.00 C ATOM 386 O LEU A 27 -0.166 10.967 5.593 1.00 0.00 O ATOM 387 CB LEU A 27 0.185 13.161 2.939 1.00 0.00 C ATOM 388 CG LEU A 27 0.626 14.511 2.370 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.664 14.327 1.262 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.580 15.325 1.897 1.00 0.00 C ATOM 0 H LEU A 27 1.841 12.076 5.103 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.409 13.971 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.875 12.396 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.796 12.920 2.530 1.00 0.00 H new ATOM 0 HG LEU A 27 1.106 15.078 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.960 15.302 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.538 13.815 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.234 13.732 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.240 16.280 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.109 14.774 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.252 15.502 2.737 1.00 0.00 H new ATOM 402 N TRP A 28 -2.001 11.921 4.677 1.00 0.00 N ATOM 403 CA TRP A 28 -2.898 10.857 5.093 1.00 0.00 C ATOM 404 C TRP A 28 -3.341 10.096 3.841 1.00 0.00 C ATOM 405 O TRP A 28 -3.595 10.700 2.801 1.00 0.00 O ATOM 406 CB TRP A 28 -4.072 11.413 5.900 1.00 0.00 C ATOM 407 CG TRP A 28 -4.995 10.339 6.479 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.018 9.718 5.876 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.937 9.780 7.808 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.621 8.804 6.716 1.00 0.00 N ATOM 411 CE2 TRP A 28 -5.942 8.843 7.928 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.063 10.058 8.874 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.169 8.108 9.098 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.303 9.315 10.036 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.311 8.368 10.173 1.00 0.00 C ATOM 0 H TRP A 28 -2.448 12.677 4.158 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.389 10.163 5.761 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.682 12.021 6.717 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.657 12.074 5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.331 9.909 4.860 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.418 8.209 6.489 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.269 10.787 8.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.963 7.380 9.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.660 9.490 10.886 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.432 7.835 11.105 1.00 0.00 H new ATOM 426 N PHE A 29 -3.418 8.781 3.984 1.00 0.00 N ATOM 427 CA PHE A 29 -3.825 7.931 2.878 1.00 0.00 C ATOM 428 C PHE A 29 -4.751 6.812 3.358 1.00 0.00 C ATOM 429 O PHE A 29 -4.652 6.367 4.501 1.00 0.00 O ATOM 430 CB PHE A 29 -2.553 7.311 2.298 1.00 0.00 C ATOM 431 CG PHE A 29 -1.524 8.336 1.817 1.00 0.00 C ATOM 432 CD1 PHE A 29 -0.710 8.955 2.714 1.00 0.00 C ATOM 433 CD2 PHE A 29 -1.423 8.628 0.493 1.00 0.00 C ATOM 434 CE1 PHE A 29 0.245 9.906 2.268 1.00 0.00 C ATOM 435 CE2 PHE A 29 -0.468 9.580 0.047 1.00 0.00 C ATOM 436 CZ PHE A 29 0.346 10.199 0.944 1.00 0.00 C ATOM 0 H PHE A 29 -3.205 8.284 4.849 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.365 8.519 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.092 6.677 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.824 6.665 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.790 8.723 3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.069 8.136 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.891 10.397 2.980 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.388 9.813 -1.005 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.072 10.923 0.605 1.00 0.00 H new ATOM 446 N VAL A 30 -5.630 6.388 2.462 1.00 0.00 N ATOM 447 CA VAL A 30 -6.573 5.330 2.780 1.00 0.00 C ATOM 448 C VAL A 30 -6.628 4.335 1.618 1.00 0.00 C ATOM 449 O VAL A 30 -6.248 4.665 0.496 1.00 0.00 O ATOM 450 CB VAL A 30 -7.939 5.929 3.118 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.000 4.835 3.252 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.866 6.780 4.387 1.00 0.00 C ATOM 0 H VAL A 30 -5.709 6.759 1.515 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.246 4.781 3.663 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.232 6.580 2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.962 5.288 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.081 4.290 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.714 4.147 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.851 7.194 4.605 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.540 6.160 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.155 7.593 4.239 1.00 0.00 H new ATOM 462 N ILE A 31 -7.103 3.138 1.928 1.00 0.00 N ATOM 463 CA ILE A 31 -7.212 2.094 0.924 1.00 0.00 C ATOM 464 C ILE A 31 -8.674 1.658 0.803 1.00 0.00 C ATOM 465 O ILE A 31 -9.141 0.819 1.572 1.00 0.00 O ATOM 466 CB ILE A 31 -6.253 0.944 1.239 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.797 1.385 1.074 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.578 -0.289 0.394 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.837 0.233 1.380 1.00 0.00 C ATOM 0 H ILE A 31 -7.417 2.868 2.860 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.909 2.473 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.388 0.662 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.634 1.739 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.589 2.223 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.881 -1.091 0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.596 -0.616 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.488 -0.039 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.809 0.573 1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.986 -0.102 2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.031 -0.594 0.697 1.00 0.00 H new ATOM 481 N LYS A 32 -9.356 2.249 -0.167 1.00 0.00 N ATOM 482 CA LYS A 32 -10.756 1.933 -0.397 1.00 0.00 C ATOM 483 C LYS A 32 -10.948 1.528 -1.860 1.00 0.00 C ATOM 484 O LYS A 32 -10.435 2.187 -2.763 1.00 0.00 O ATOM 485 CB LYS A 32 -11.647 3.097 0.041 1.00 0.00 C ATOM 486 CG LYS A 32 -13.032 2.998 -0.601 1.00 0.00 C ATOM 487 CD LYS A 32 -14.035 3.904 0.116 1.00 0.00 C ATOM 488 CE LYS A 32 -14.624 3.206 1.343 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.505 2.090 0.932 1.00 0.00 N ATOM 0 H LYS A 32 -8.966 2.945 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.060 1.082 0.213 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.744 3.097 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.180 4.042 -0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.970 3.279 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.380 1.966 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.543 4.828 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.836 4.180 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.820 2.829 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.189 3.922 1.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.192 1.894 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.012 2.350 0.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.931 1.241 0.757 1.00 0.00 H new ATOM 503 N ASN A 33 -11.689 0.446 -2.049 1.00 0.00 N ATOM 504 CA ASN A 33 -11.956 -0.055 -3.387 1.00 0.00 C ATOM 505 C ASN A 33 -10.631 -0.402 -4.070 1.00 0.00 C ATOM 506 O ASN A 33 -10.544 -0.404 -5.297 1.00 0.00 O ATOM 507 CB ASN A 33 -12.665 1.000 -4.238 1.00 0.00 C ATOM 508 CG ASN A 33 -13.051 0.432 -5.605 1.00 0.00 C ATOM 509 OD1 ASN A 33 -12.344 0.577 -6.589 1.00 0.00 O ATOM 510 ND2 ASN A 33 -14.209 -0.221 -5.612 1.00 0.00 N ATOM 0 H ASN A 33 -12.113 -0.098 -1.298 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.594 -0.934 -3.298 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.558 1.350 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.014 1.864 -4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.555 -0.637 -6.477 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.752 -0.306 -4.753 1.00 0.00 H new ATOM 517 N LYS A 34 -9.634 -0.688 -3.245 1.00 0.00 N ATOM 518 CA LYS A 34 -8.319 -1.036 -3.755 1.00 0.00 C ATOM 519 C LYS A 34 -7.678 0.200 -4.388 1.00 0.00 C ATOM 520 O LYS A 34 -6.770 0.082 -5.209 1.00 0.00 O ATOM 521 CB LYS A 34 -8.411 -2.234 -4.702 1.00 0.00 C ATOM 522 CG LYS A 34 -7.771 -3.476 -4.078 1.00 0.00 C ATOM 523 CD LYS A 34 -8.603 -4.727 -4.369 1.00 0.00 C ATOM 524 CE LYS A 34 -7.741 -5.989 -4.297 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.277 -6.925 -3.284 1.00 0.00 N ATOM 0 H LYS A 34 -9.711 -0.686 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.667 -1.352 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.456 -2.438 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.914 -1.998 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.763 -3.606 -4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.678 -3.339 -3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.420 -4.799 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.054 -4.646 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.715 -6.475 -5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.714 -5.722 -4.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.681 -7.776 -3.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.279 -6.464 -2.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.249 -7.194 -3.539 1.00 0.00 H new ATOM 539 N VAL A 35 -8.176 1.359 -3.983 1.00 0.00 N ATOM 540 CA VAL A 35 -7.664 2.616 -4.500 1.00 0.00 C ATOM 541 C VAL A 35 -6.911 3.351 -3.390 1.00 0.00 C ATOM 542 O VAL A 35 -7.369 3.397 -2.249 1.00 0.00 O ATOM 543 CB VAL A 35 -8.807 3.442 -5.095 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.299 4.789 -5.613 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.526 2.666 -6.200 1.00 0.00 C ATOM 0 H VAL A 35 -8.929 1.454 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.956 2.435 -5.309 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.527 3.639 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.131 5.356 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.854 5.350 -4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.550 4.622 -6.387 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.334 3.275 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.819 2.424 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.938 1.745 -5.788 1.00 0.00 H new ATOM 555 N LEU A 36 -5.768 3.908 -3.762 1.00 0.00 N ATOM 556 CA LEU A 36 -4.947 4.639 -2.812 1.00 0.00 C ATOM 557 C LEU A 36 -5.337 6.118 -2.839 1.00 0.00 C ATOM 558 O LEU A 36 -4.789 6.894 -3.621 1.00 0.00 O ATOM 559 CB LEU A 36 -3.462 4.389 -3.083 1.00 0.00 C ATOM 560 CG LEU A 36 -2.481 5.089 -2.140 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.400 6.586 -2.445 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.840 4.820 -0.677 1.00 0.00 C ATOM 0 H LEU A 36 -5.391 3.868 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.127 4.280 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.280 3.316 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.241 4.703 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.488 4.672 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.696 7.059 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.061 6.730 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.385 7.036 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.127 5.329 -0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.845 5.192 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.804 3.748 -0.485 1.00 0.00 H new ATOM 574 N TYR A 37 -6.281 6.465 -1.976 1.00 0.00 N ATOM 575 CA TYR A 37 -6.750 7.837 -1.891 1.00 0.00 C ATOM 576 C TYR A 37 -5.782 8.698 -1.077 1.00 0.00 C ATOM 577 O TYR A 37 -5.063 8.188 -0.219 1.00 0.00 O ATOM 578 CB TYR A 37 -8.096 7.779 -1.166 1.00 0.00 C ATOM 579 CG TYR A 37 -9.259 7.324 -2.049 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.741 8.158 -3.038 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.827 6.081 -1.857 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.837 7.730 -3.870 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.922 5.654 -2.689 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.373 6.499 -3.654 1.00 0.00 C ATOM 585 OH TYR A 37 -12.407 6.096 -4.439 1.00 0.00 O ATOM 0 H TYR A 37 -6.734 5.819 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.830 8.277 -2.885 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.011 7.101 -0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.323 8.766 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.297 9.131 -3.188 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.450 5.429 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.224 8.372 -4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.375 4.684 -2.550 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.688 5.196 -4.173 1.00 0.00 H new ATOM 595 N THR A 38 -5.796 9.990 -1.374 1.00 0.00 N ATOM 596 CA THR A 38 -4.929 10.926 -0.680 1.00 0.00 C ATOM 597 C THR A 38 -5.736 11.766 0.311 1.00 0.00 C ATOM 598 O THR A 38 -6.931 11.984 0.118 1.00 0.00 O ATOM 599 CB THR A 38 -4.199 11.763 -1.733 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.218 10.876 -2.263 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.380 12.898 -1.114 1.00 0.00 C ATOM 0 H THR A 38 -6.394 10.410 -2.086 1.00 0.00 H new ATOM 0 HA THR A 38 -4.181 10.405 -0.082 1.00 0.00 H new ATOM 0 HB THR A 38 -4.924 12.178 -2.433 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.700 11.337 -2.955 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.883 13.460 -1.904 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.041 13.562 -0.557 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.632 12.481 -0.439 1.00 0.00 H new ATOM 609 N TYR A 39 -5.050 12.216 1.352 1.00 0.00 N ATOM 610 CA TYR A 39 -5.689 13.028 2.374 1.00 0.00 C ATOM 611 C TYR A 39 -4.664 13.905 3.097 1.00 0.00 C ATOM 612 O TYR A 39 -3.471 13.843 2.803 1.00 0.00 O ATOM 613 CB TYR A 39 -6.296 12.043 3.376 1.00 0.00 C ATOM 614 CG TYR A 39 -7.546 11.325 2.862 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.774 11.952 2.918 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.444 10.050 2.343 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.950 11.276 2.434 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.620 9.374 1.859 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.815 10.020 1.929 1.00 0.00 C ATOM 620 OH TYR A 39 -10.925 9.382 1.472 1.00 0.00 O ATOM 0 H TYR A 39 -4.059 12.034 1.510 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.435 13.687 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.544 11.299 3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.548 12.580 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.853 12.949 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.483 9.560 2.300 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.917 11.755 2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.555 8.377 1.450 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.678 8.494 1.139 1.00 0.00 H new ATOM 630 N ALA A 40 -5.167 14.701 4.030 1.00 0.00 N ATOM 631 CA ALA A 40 -4.310 15.589 4.797 1.00 0.00 C ATOM 632 C ALA A 40 -4.524 15.333 6.290 1.00 0.00 C ATOM 633 O ALA A 40 -3.562 15.225 7.049 1.00 0.00 O ATOM 634 CB ALA A 40 -4.600 17.040 4.407 1.00 0.00 C ATOM 0 H ALA A 40 -6.157 14.749 4.272 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.260 15.395 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.957 17.707 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.405 17.177 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.644 17.272 4.618 1.00 0.00 H new ATOM 640 N ALA A 41 -5.791 15.242 6.667 1.00 0.00 N ATOM 641 CA ALA A 41 -6.143 15.000 8.056 1.00 0.00 C ATOM 642 C ALA A 41 -6.775 13.612 8.183 1.00 0.00 C ATOM 643 O ALA A 41 -7.162 13.009 7.184 1.00 0.00 O ATOM 644 CB ALA A 41 -7.074 16.111 8.547 1.00 0.00 C ATOM 0 H ALA A 41 -6.586 15.331 6.035 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.254 15.017 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.338 15.930 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.569 17.073 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.979 16.122 7.940 1.00 0.00 H new ATOM 688 N VAL A 45 -12.471 16.424 5.270 1.00 0.00 N ATOM 689 CA VAL A 45 -13.777 16.581 4.652 1.00 0.00 C ATOM 690 C VAL A 45 -13.872 15.663 3.432 1.00 0.00 C ATOM 691 O VAL A 45 -14.945 15.148 3.121 1.00 0.00 O ATOM 692 CB VAL A 45 -14.022 18.052 4.314 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.625 18.796 5.508 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.734 18.728 3.840 1.00 0.00 C ATOM 0 HA VAL A 45 -14.566 16.285 5.344 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.741 18.092 3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.789 19.840 5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.575 18.337 5.780 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.940 18.741 6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.936 19.773 3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.982 18.671 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.364 18.222 2.948 1.00 0.00 H new ATOM 704 N ALA A 46 -12.736 15.486 2.774 1.00 0.00 N ATOM 705 CA ALA A 46 -12.678 14.639 1.594 1.00 0.00 C ATOM 706 C ALA A 46 -11.216 14.336 1.261 1.00 0.00 C ATOM 707 O ALA A 46 -10.309 14.820 1.935 1.00 0.00 O ATOM 708 CB ALA A 46 -13.410 15.323 0.438 1.00 0.00 C ATOM 0 H ALA A 46 -11.848 15.915 3.035 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.178 13.688 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.366 14.688 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.451 15.489 0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.935 16.280 0.222 1.00 0.00 H new ATOM 714 N ALA A 47 -11.034 13.536 0.220 1.00 0.00 N ATOM 715 CA ALA A 47 -9.698 13.162 -0.211 1.00 0.00 C ATOM 716 C ALA A 47 -9.130 14.263 -1.109 1.00 0.00 C ATOM 717 O ALA A 47 -9.858 14.863 -1.898 1.00 0.00 O ATOM 718 CB ALA A 47 -9.749 11.805 -0.915 1.00 0.00 C ATOM 0 H ALA A 47 -11.789 13.137 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.033 13.059 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.746 11.525 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.132 11.052 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.405 11.870 -1.783 1.00 0.00 H new ATOM 724 N LEU A 48 -7.834 14.496 -0.958 1.00 0.00 N ATOM 725 CA LEU A 48 -7.160 15.514 -1.746 1.00 0.00 C ATOM 726 C LEU A 48 -7.035 15.033 -3.193 1.00 0.00 C ATOM 727 O LEU A 48 -7.185 15.820 -4.127 1.00 0.00 O ATOM 728 CB LEU A 48 -5.822 15.889 -1.105 1.00 0.00 C ATOM 729 CG LEU A 48 -5.880 16.328 0.360 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.478 16.399 0.967 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.636 17.650 0.506 1.00 0.00 C ATOM 0 H LEU A 48 -7.233 13.997 -0.302 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.747 16.432 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.153 15.032 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.376 16.695 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.435 15.576 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.548 16.713 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.009 15.416 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.877 17.118 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.663 17.940 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.130 18.424 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.654 17.529 0.137 1.00 0.00 H new ATOM 743 N GLU A 49 -6.761 13.745 -3.334 1.00 0.00 N ATOM 744 CA GLU A 49 -6.614 13.150 -4.651 1.00 0.00 C ATOM 745 C GLU A 49 -6.996 11.669 -4.611 1.00 0.00 C ATOM 746 O GLU A 49 -7.192 11.104 -3.536 1.00 0.00 O ATOM 747 CB GLU A 49 -5.191 13.335 -5.181 1.00 0.00 C ATOM 748 CG GLU A 49 -4.974 14.764 -5.683 1.00 0.00 C ATOM 749 CD GLU A 49 -5.998 15.127 -6.761 1.00 0.00 C ATOM 750 OE1 GLU A 49 -6.362 14.211 -7.529 1.00 0.00 O ATOM 751 OE2 GLU A 49 -6.392 16.313 -6.793 1.00 0.00 O ATOM 0 H GLU A 49 -6.637 13.096 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.291 13.661 -5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.473 13.110 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.006 12.629 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.054 15.462 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.966 14.863 -6.086 1.00 0.00 H new ATOM 758 N SER A 50 -7.089 11.082 -5.795 1.00 0.00 N ATOM 759 CA SER A 50 -7.443 9.678 -5.909 1.00 0.00 C ATOM 760 C SER A 50 -6.518 8.984 -6.910 1.00 0.00 C ATOM 761 O SER A 50 -6.176 9.555 -7.944 1.00 0.00 O ATOM 762 CB SER A 50 -8.904 9.511 -6.332 1.00 0.00 C ATOM 763 OG SER A 50 -9.395 10.658 -7.021 1.00 0.00 O ATOM 0 H SER A 50 -6.925 11.554 -6.684 1.00 0.00 H new ATOM 0 HA SER A 50 -7.321 9.214 -4.930 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.998 8.635 -6.974 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.518 9.327 -5.450 1.00 0.00 H new ATOM 0 HG SER A 50 -10.330 10.511 -7.276 1.00 0.00 H new ATOM 769 N GLN A 51 -6.139 7.761 -6.568 1.00 0.00 N ATOM 770 CA GLN A 51 -5.260 6.983 -7.424 1.00 0.00 C ATOM 771 C GLN A 51 -5.444 5.488 -7.156 1.00 0.00 C ATOM 772 O GLN A 51 -5.136 5.007 -6.067 1.00 0.00 O ATOM 773 CB GLN A 51 -3.799 7.399 -7.233 1.00 0.00 C ATOM 774 CG GLN A 51 -3.004 7.217 -8.527 1.00 0.00 C ATOM 775 CD GLN A 51 -3.593 8.063 -9.657 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.882 7.373 -10.756 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -3.774 9.264 -9.538 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.425 7.290 -5.710 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.527 7.181 -8.462 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.752 8.441 -6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.349 6.804 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.964 7.499 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.008 6.166 -8.815 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.530 9.733 -8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.170 9.799 -10.311 1.00 0.00 H new ATOM 786 N PRO A 52 -5.959 4.777 -8.195 1.00 0.00 N ATOM 787 CA PRO A 52 -6.188 3.347 -8.082 1.00 0.00 C ATOM 788 C PRO A 52 -4.870 2.573 -8.160 1.00 0.00 C ATOM 789 O PRO A 52 -3.933 3.001 -8.832 1.00 0.00 O ATOM 790 CB PRO A 52 -7.142 3.011 -9.216 1.00 0.00 C ATOM 791 CG PRO A 52 -7.047 4.167 -10.198 1.00 0.00 C ATOM 792 CD PRO A 52 -6.335 5.314 -9.499 1.00 0.00 C ATOM 0 HA PRO A 52 -6.617 3.064 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.866 2.070 -9.693 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.161 2.895 -8.847 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.500 3.865 -11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.041 4.475 -10.522 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.459 5.638 -10.061 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.987 6.181 -9.397 1.00 0.00 H new ATOM 800 N LEU A 53 -4.841 1.446 -7.463 1.00 0.00 N ATOM 801 CA LEU A 53 -3.654 0.608 -7.446 1.00 0.00 C ATOM 802 C LEU A 53 -3.748 -0.426 -8.569 1.00 0.00 C ATOM 803 O LEU A 53 -3.367 -1.581 -8.388 1.00 0.00 O ATOM 804 CB LEU A 53 -3.453 -0.007 -6.059 1.00 0.00 C ATOM 805 CG LEU A 53 -3.436 0.975 -4.886 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.926 0.303 -3.602 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.050 1.599 -4.713 1.00 0.00 C ATOM 0 H LEU A 53 -5.620 1.094 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.763 1.206 -7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.247 -0.734 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.512 -0.557 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.129 1.786 -5.110 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.904 1.023 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.946 -0.054 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.277 -0.539 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.066 2.293 -3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.319 0.814 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.777 2.136 -5.622 1.00 0.00 H new ATOM 819 N LEU A 54 -4.257 0.027 -9.706 1.00 0.00 N ATOM 820 CA LEU A 54 -4.406 -0.845 -10.859 1.00 0.00 C ATOM 821 C LEU A 54 -3.115 -0.822 -11.679 1.00 0.00 C ATOM 822 O LEU A 54 -2.846 0.143 -12.393 1.00 0.00 O ATOM 823 CB LEU A 54 -5.652 -0.464 -11.661 1.00 0.00 C ATOM 824 CG LEU A 54 -5.731 -1.025 -13.083 1.00 0.00 C ATOM 825 CD1 LEU A 54 -4.890 -0.189 -14.049 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.339 -2.503 -13.112 1.00 0.00 C ATOM 0 H LEU A 54 -4.571 0.986 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.564 -1.876 -10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.531 -0.799 -11.110 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.706 0.623 -11.717 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.766 -0.961 -13.419 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.963 -0.609 -15.052 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.258 0.837 -14.057 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.849 -0.199 -13.727 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.404 -2.877 -14.134 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.318 -2.616 -12.748 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.016 -3.072 -12.474 1.00 0.00 H new ATOM 838 N GLY A 55 -2.351 -1.897 -11.551 1.00 0.00 N ATOM 839 CA GLY A 55 -1.095 -2.013 -12.272 1.00 0.00 C ATOM 840 C GLY A 55 0.091 -1.673 -11.366 1.00 0.00 C ATOM 841 O GLY A 55 1.196 -2.173 -11.569 1.00 0.00 O ATOM 0 H GLY A 55 -2.578 -2.696 -10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.985 -3.027 -12.656 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.103 -1.345 -13.133 1.00 0.00 H new ATOM 845 N PHE A 56 -0.180 -0.824 -10.385 1.00 0.00 N ATOM 846 CA PHE A 56 0.851 -0.411 -9.448 1.00 0.00 C ATOM 847 C PHE A 56 1.487 -1.622 -8.763 1.00 0.00 C ATOM 848 O PHE A 56 1.055 -2.755 -8.971 1.00 0.00 O ATOM 849 CB PHE A 56 0.170 0.459 -8.389 1.00 0.00 C ATOM 850 CG PHE A 56 -0.097 1.896 -8.841 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.255 2.203 -9.483 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.826 2.866 -8.601 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.502 3.537 -9.903 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.579 4.200 -9.020 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.580 4.507 -9.663 1.00 0.00 C ATOM 0 H PHE A 56 -1.098 -0.411 -10.219 1.00 0.00 H new ATOM 0 HA PHE A 56 1.638 0.129 -9.975 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.776 -0.004 -8.107 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.794 0.480 -7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.987 1.432 -9.674 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.747 2.622 -8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.422 3.781 -10.413 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.311 4.971 -8.828 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.768 5.521 -9.983 1.00 0.00 H new ATOM 865 N THR A 57 2.503 -1.342 -7.961 1.00 0.00 N ATOM 866 CA THR A 57 3.204 -2.395 -7.245 1.00 0.00 C ATOM 867 C THR A 57 3.860 -1.835 -5.981 1.00 0.00 C ATOM 868 O THR A 57 3.923 -0.621 -5.796 1.00 0.00 O ATOM 869 CB THR A 57 4.198 -3.043 -8.210 1.00 0.00 C ATOM 870 OG1 THR A 57 3.474 -3.153 -9.433 1.00 0.00 O ATOM 871 CG2 THR A 57 4.519 -4.491 -7.836 1.00 0.00 C ATOM 0 H THR A 57 2.858 -0.401 -7.791 1.00 0.00 H new ATOM 0 HA THR A 57 2.514 -3.166 -6.901 1.00 0.00 H new ATOM 0 HB THR A 57 5.119 -2.460 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.622 -3.608 -9.269 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.229 -4.903 -8.553 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.954 -4.521 -6.837 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.603 -5.082 -7.851 1.00 0.00 H new ATOM 879 N VAL A 58 4.332 -2.748 -5.144 1.00 0.00 N ATOM 880 CA VAL A 58 4.981 -2.360 -3.904 1.00 0.00 C ATOM 881 C VAL A 58 6.177 -3.280 -3.650 1.00 0.00 C ATOM 882 O VAL A 58 6.202 -4.416 -4.122 1.00 0.00 O ATOM 883 CB VAL A 58 3.967 -2.368 -2.758 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.583 -2.952 -1.485 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.414 -0.964 -2.506 1.00 0.00 C ATOM 0 H VAL A 58 4.278 -3.754 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 58 5.363 -1.342 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 58 3.135 -3.008 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.841 -2.946 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.905 -3.976 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.442 -2.350 -1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.696 -0.997 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.232 -0.292 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.920 -0.600 -3.407 1.00 0.00 H new ATOM 895 N THR A 59 7.139 -2.756 -2.905 1.00 0.00 N ATOM 896 CA THR A 59 8.334 -3.516 -2.583 1.00 0.00 C ATOM 897 C THR A 59 9.050 -2.900 -1.379 1.00 0.00 C ATOM 898 O THR A 59 9.381 -1.715 -1.389 1.00 0.00 O ATOM 899 CB THR A 59 9.205 -3.582 -3.839 1.00 0.00 C ATOM 900 OG1 THR A 59 10.097 -4.664 -3.587 1.00 0.00 O ATOM 901 CG2 THR A 59 10.125 -2.366 -3.978 1.00 0.00 C ATOM 0 H THR A 59 7.115 -1.814 -2.515 1.00 0.00 H new ATOM 0 HA THR A 59 8.086 -4.536 -2.287 1.00 0.00 H new ATOM 0 HB THR A 59 8.567 -3.658 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.697 -4.778 -4.353 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.721 -2.463 -4.885 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.523 -1.459 -4.034 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.786 -2.310 -3.114 1.00 0.00 H new ATOM 909 N LEU A 60 9.267 -3.731 -0.371 1.00 0.00 N ATOM 910 CA LEU A 60 9.938 -3.283 0.838 1.00 0.00 C ATOM 911 C LEU A 60 11.356 -2.827 0.491 1.00 0.00 C ATOM 912 O LEU A 60 12.019 -3.435 -0.349 1.00 0.00 O ATOM 913 CB LEU A 60 9.887 -4.370 1.913 1.00 0.00 C ATOM 914 CG LEU A 60 10.427 -3.978 3.290 1.00 0.00 C ATOM 915 CD1 LEU A 60 11.955 -3.890 3.274 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.783 -2.680 3.783 1.00 0.00 C ATOM 0 H LEU A 60 8.990 -4.713 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 60 9.422 -2.422 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.852 -4.690 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.450 -5.233 1.556 1.00 0.00 H new ATOM 0 HG LEU A 60 10.156 -4.761 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.314 -3.610 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.372 -4.858 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.269 -3.139 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.184 -2.424 4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.001 -1.876 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.704 -2.814 3.857 1.00 0.00 H new ATOM 928 N VAL A 61 11.780 -1.762 1.153 1.00 0.00 N ATOM 929 CA VAL A 61 13.108 -1.217 0.925 1.00 0.00 C ATOM 930 C VAL A 61 13.867 -1.162 2.252 1.00 0.00 C ATOM 931 O VAL A 61 13.327 -0.711 3.262 1.00 0.00 O ATOM 932 CB VAL A 61 13.004 0.146 0.239 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.742 0.889 0.683 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.255 0.987 0.498 1.00 0.00 C ATOM 0 H VAL A 61 11.227 -1.261 1.848 1.00 0.00 H new ATOM 0 HA VAL A 61 13.675 -1.861 0.253 1.00 0.00 H new ATOM 0 HB VAL A 61 12.932 -0.025 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.693 1.855 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.863 0.300 0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.771 1.042 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.155 1.951 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.372 1.144 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.130 0.466 0.109 1.00 0.00 H new ATOM 1033 N SER A 68 12.797 -2.445 6.843 1.00 0.00 N ATOM 1034 CA SER A 68 11.506 -3.111 6.803 1.00 0.00 C ATOM 1035 C SER A 68 10.458 -2.266 7.528 1.00 0.00 C ATOM 1036 O SER A 68 9.530 -2.803 8.131 1.00 0.00 O ATOM 1037 CB SER A 68 11.586 -4.506 7.426 1.00 0.00 C ATOM 1038 OG SER A 68 10.395 -5.257 7.210 1.00 0.00 O ATOM 0 HA SER A 68 11.213 -3.225 5.759 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.435 -5.043 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.768 -4.415 8.497 1.00 0.00 H new ATOM 0 HG SER A 68 9.619 -4.727 7.489 1.00 0.00 H new ATOM 1044 N LYS A 69 10.640 -0.956 7.446 1.00 0.00 N ATOM 1045 CA LYS A 69 9.722 -0.030 8.087 1.00 0.00 C ATOM 1046 C LYS A 69 9.308 1.048 7.084 1.00 0.00 C ATOM 1047 O LYS A 69 8.640 2.015 7.447 1.00 0.00 O ATOM 1048 CB LYS A 69 10.335 0.529 9.373 1.00 0.00 C ATOM 1049 CG LYS A 69 10.777 1.981 9.183 1.00 0.00 C ATOM 1050 CD LYS A 69 11.750 2.407 10.284 1.00 0.00 C ATOM 1051 CE LYS A 69 11.118 3.458 11.198 1.00 0.00 C ATOM 1052 NZ LYS A 69 10.465 2.811 12.358 1.00 0.00 N ATOM 0 H LYS A 69 11.410 -0.514 6.945 1.00 0.00 H new ATOM 0 HA LYS A 69 8.812 -0.547 8.393 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.608 0.469 10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.190 -0.080 9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.252 2.096 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.905 2.634 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.043 1.537 10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.659 2.809 9.836 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.882 4.154 11.545 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.386 4.041 10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.041 3.539 12.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.722 2.165 12.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.172 2.274 12.900 1.00 0.00 H new ATOM 1066 N VAL A 70 9.721 0.845 5.841 1.00 0.00 N ATOM 1067 CA VAL A 70 9.402 1.788 4.783 1.00 0.00 C ATOM 1068 C VAL A 70 9.355 1.049 3.444 1.00 0.00 C ATOM 1069 O VAL A 70 10.237 0.245 3.144 1.00 0.00 O ATOM 1070 CB VAL A 70 10.403 2.945 4.793 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.839 2.426 4.896 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.227 3.832 3.559 1.00 0.00 C ATOM 0 H VAL A 70 10.274 0.041 5.543 1.00 0.00 H new ATOM 0 HA VAL A 70 8.418 2.227 4.947 1.00 0.00 H new ATOM 0 HB VAL A 70 10.203 3.554 5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.531 3.268 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.955 1.856 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.056 1.784 4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.950 4.647 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.387 3.239 2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.218 4.243 3.547 1.00 0.00 H new ATOM 1082 N PHE A 71 8.319 1.347 2.675 1.00 0.00 N ATOM 1083 CA PHE A 71 8.146 0.721 1.375 1.00 0.00 C ATOM 1084 C PHE A 71 7.999 1.774 0.275 1.00 0.00 C ATOM 1085 O PHE A 71 7.949 2.970 0.558 1.00 0.00 O ATOM 1086 CB PHE A 71 6.863 -0.109 1.445 1.00 0.00 C ATOM 1087 CG PHE A 71 5.681 0.626 2.080 1.00 0.00 C ATOM 1088 CD1 PHE A 71 5.644 0.821 3.425 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.666 1.083 1.299 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.547 1.503 4.015 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.568 1.765 1.888 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.532 1.960 3.233 1.00 0.00 C ATOM 0 H PHE A 71 7.590 2.014 2.927 1.00 0.00 H new ATOM 0 HA PHE A 71 9.015 0.107 1.139 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.587 -0.418 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.061 -1.018 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.450 0.457 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.695 0.927 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.519 1.659 5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.762 2.128 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.697 2.478 3.681 1.00 0.00 H new ATOM 1102 N GLN A 72 7.934 1.291 -0.957 1.00 0.00 N ATOM 1103 CA GLN A 72 7.793 2.175 -2.102 1.00 0.00 C ATOM 1104 C GLN A 72 6.601 1.747 -2.960 1.00 0.00 C ATOM 1105 O GLN A 72 6.235 0.573 -2.979 1.00 0.00 O ATOM 1106 CB GLN A 72 9.080 2.210 -2.929 1.00 0.00 C ATOM 1107 CG GLN A 72 10.164 3.026 -2.222 1.00 0.00 C ATOM 1108 CD GLN A 72 11.480 2.982 -3.002 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.070 3.998 -3.332 1.00 0.00 O ATOM 1110 NE2 GLN A 72 11.905 1.752 -3.277 1.00 0.00 N ATOM 0 H GLN A 72 7.976 0.298 -1.188 1.00 0.00 H new ATOM 0 HA GLN A 72 7.608 3.185 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.436 1.194 -3.097 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.875 2.642 -3.909 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.835 4.060 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.320 2.636 -1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.362 0.945 -2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.774 1.616 -3.794 1.00 0.00 H new ATOM 1119 N LEU A 73 6.029 2.723 -3.650 1.00 0.00 N ATOM 1120 CA LEU A 73 4.886 2.462 -4.508 1.00 0.00 C ATOM 1121 C LEU A 73 5.342 2.452 -5.968 1.00 0.00 C ATOM 1122 O LEU A 73 5.458 3.505 -6.593 1.00 0.00 O ATOM 1123 CB LEU A 73 3.762 3.460 -4.221 1.00 0.00 C ATOM 1124 CG LEU A 73 2.447 3.222 -4.967 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.740 1.969 -4.445 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.547 4.458 -4.900 1.00 0.00 C ATOM 0 H LEU A 73 6.336 3.696 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 73 4.468 1.478 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.557 3.448 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.120 4.460 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 73 2.677 3.048 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.808 1.823 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.385 1.102 -4.587 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.523 2.089 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.619 4.262 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.321 4.688 -3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.059 5.306 -5.356 1.00 0.00 H new ATOM 1138 N LEU A 74 5.588 1.250 -6.469 1.00 0.00 N ATOM 1139 CA LEU A 74 6.028 1.089 -7.845 1.00 0.00 C ATOM 1140 C LEU A 74 4.823 1.207 -8.779 1.00 0.00 C ATOM 1141 O LEU A 74 3.713 0.817 -8.419 1.00 0.00 O ATOM 1142 CB LEU A 74 6.808 -0.217 -8.008 1.00 0.00 C ATOM 1143 CG LEU A 74 8.245 -0.211 -7.485 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.470 -1.347 -6.485 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.249 -0.256 -8.639 1.00 0.00 C ATOM 0 H LEU A 74 5.491 0.379 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 74 6.722 1.884 -8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.260 -1.010 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.829 -0.474 -9.067 1.00 0.00 H new ATOM 0 HG LEU A 74 8.410 0.725 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.500 -1.320 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.791 -1.228 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.280 -2.303 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.263 -0.251 -8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.093 -1.164 -9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.107 0.615 -9.279 1.00 0.00 H new ATOM 1157 N HIS A 75 5.081 1.747 -9.961 1.00 0.00 N ATOM 1158 CA HIS A 75 4.031 1.921 -10.950 1.00 0.00 C ATOM 1159 C HIS A 75 4.554 1.518 -12.330 1.00 0.00 C ATOM 1160 O HIS A 75 5.244 2.296 -12.988 1.00 0.00 O ATOM 1161 CB HIS A 75 3.485 3.350 -10.916 1.00 0.00 C ATOM 1162 CG HIS A 75 2.263 3.561 -11.779 1.00 0.00 C ATOM 1163 ND1 HIS A 75 2.027 4.737 -12.469 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.215 2.734 -12.057 1.00 0.00 C ATOM 1165 CE1 HIS A 75 0.884 4.613 -13.128 1.00 0.00 C ATOM 1166 NE2 HIS A 75 0.382 3.371 -12.871 1.00 0.00 N ATOM 0 H HIS A 75 6.002 2.070 -10.256 1.00 0.00 H new ATOM 0 HA HIS A 75 3.191 1.268 -10.714 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.239 3.610 -9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.268 4.035 -11.239 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.085 1.731 -11.679 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.430 5.363 -13.758 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.490 2.994 -13.243 1.00 0.00 H new ATOM 1174 N LYS A 76 4.205 0.304 -12.729 1.00 0.00 N ATOM 1175 CA LYS A 76 4.630 -0.211 -14.019 1.00 0.00 C ATOM 1176 C LYS A 76 6.088 -0.665 -13.926 1.00 0.00 C ATOM 1177 O LYS A 76 6.683 -1.063 -14.927 1.00 0.00 O ATOM 1178 CB LYS A 76 4.376 0.822 -15.119 1.00 0.00 C ATOM 1179 CG LYS A 76 2.986 1.445 -14.975 1.00 0.00 C ATOM 1180 CD LYS A 76 2.609 2.238 -16.228 1.00 0.00 C ATOM 1181 CE LYS A 76 3.396 3.547 -16.306 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.541 3.409 -17.234 1.00 0.00 N ATOM 0 H LYS A 76 3.632 -0.338 -12.181 1.00 0.00 H new ATOM 0 HA LYS A 76 4.040 -1.085 -14.293 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.135 1.603 -15.072 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.467 0.348 -16.096 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.249 0.662 -14.800 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.966 2.101 -14.105 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.807 1.637 -17.116 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.540 2.452 -16.219 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.742 4.352 -16.643 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.755 3.822 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.301 4.059 -16.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.893 2.431 -17.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.234 3.640 -18.200 1.00 0.00 H new ATOM 1196 N GLY A 77 6.622 -0.591 -12.716 1.00 0.00 N ATOM 1197 CA GLY A 77 8.000 -0.989 -12.480 1.00 0.00 C ATOM 1198 C GLY A 77 8.811 0.166 -11.889 1.00 0.00 C ATOM 1199 O GLY A 77 9.786 -0.058 -11.173 1.00 0.00 O ATOM 0 H GLY A 77 6.126 -0.261 -11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.025 -1.841 -11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.454 -1.315 -13.416 1.00 0.00 H new ATOM 1203 N MET A 78 8.378 1.376 -12.210 1.00 0.00 N ATOM 1204 CA MET A 78 9.051 2.567 -11.720 1.00 0.00 C ATOM 1205 C MET A 78 8.482 3.001 -10.368 1.00 0.00 C ATOM 1206 O MET A 78 7.278 2.901 -10.136 1.00 0.00 O ATOM 1207 CB MET A 78 8.885 3.702 -12.733 1.00 0.00 C ATOM 1208 CG MET A 78 10.243 4.274 -13.143 1.00 0.00 C ATOM 1209 SD MET A 78 10.688 5.624 -12.062 1.00 0.00 S ATOM 1210 CE MET A 78 11.487 6.708 -13.234 1.00 0.00 C ATOM 0 H MET A 78 7.569 1.558 -12.804 1.00 0.00 H new ATOM 0 HA MET A 78 10.108 2.336 -11.591 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.361 3.334 -13.615 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.269 4.491 -12.302 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.004 3.495 -13.098 1.00 0.00 H new ATOM 0 HG3 MET A 78 10.204 4.622 -14.175 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.829 7.608 -12.723 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.341 6.197 -13.679 1.00 0.00 H new ATOM 0 HE3 MET A 78 10.780 6.982 -14.017 1.00 0.00 H new ATOM 1220 N VAL A 79 9.375 3.475 -9.511 1.00 0.00 N ATOM 1221 CA VAL A 79 8.976 3.925 -8.188 1.00 0.00 C ATOM 1222 C VAL A 79 8.177 5.223 -8.315 1.00 0.00 C ATOM 1223 O VAL A 79 8.574 6.132 -9.042 1.00 0.00 O ATOM 1224 CB VAL A 79 10.208 4.067 -7.290 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.871 4.846 -6.018 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.802 2.697 -6.954 1.00 0.00 C ATOM 0 H VAL A 79 10.373 3.557 -9.707 1.00 0.00 H new ATOM 0 HA VAL A 79 8.327 3.189 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 79 10.961 4.632 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.763 4.933 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.516 5.842 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.094 4.320 -5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.676 2.826 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.057 2.095 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.097 2.193 -7.874 1.00 0.00 H new ATOM 1236 N PHE A 80 7.064 5.268 -7.597 1.00 0.00 N ATOM 1237 CA PHE A 80 6.205 6.439 -7.620 1.00 0.00 C ATOM 1238 C PHE A 80 6.457 7.329 -6.401 1.00 0.00 C ATOM 1239 O PHE A 80 6.512 8.552 -6.521 1.00 0.00 O ATOM 1240 CB PHE A 80 4.761 5.936 -7.579 1.00 0.00 C ATOM 1241 CG PHE A 80 3.717 7.014 -7.878 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.862 7.817 -8.966 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.645 7.170 -7.056 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.893 8.818 -9.244 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.677 8.170 -7.334 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.821 8.973 -8.422 1.00 0.00 C ATOM 0 H PHE A 80 6.738 4.512 -6.996 1.00 0.00 H new ATOM 0 HA PHE A 80 6.405 7.029 -8.514 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.649 5.126 -8.300 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.562 5.515 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.714 7.694 -9.619 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.530 6.533 -6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.008 9.456 -10.108 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.826 8.293 -6.681 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.084 9.734 -8.633 1.00 0.00 H new ATOM 1256 N TYR A 81 6.604 6.680 -5.255 1.00 0.00 N ATOM 1257 CA TYR A 81 6.850 7.396 -4.015 1.00 0.00 C ATOM 1258 C TYR A 81 7.322 6.443 -2.915 1.00 0.00 C ATOM 1259 O TYR A 81 7.112 5.235 -3.004 1.00 0.00 O ATOM 1260 CB TYR A 81 5.506 8.003 -3.606 1.00 0.00 C ATOM 1261 CG TYR A 81 5.223 9.369 -4.235 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.098 10.417 -4.032 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.092 9.553 -5.005 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.831 11.702 -4.624 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.826 10.838 -5.596 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.708 11.850 -5.377 1.00 0.00 C ATOM 1267 OH TYR A 81 4.456 13.064 -5.936 1.00 0.00 O ATOM 0 H TYR A 81 6.557 5.666 -5.159 1.00 0.00 H new ATOM 0 HA TYR A 81 7.625 8.150 -4.154 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.708 7.314 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.479 8.101 -2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.983 10.273 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.407 8.733 -5.164 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.508 12.530 -4.473 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.945 10.995 -6.200 1.00 0.00 H new ATOM 0 HH TYR A 81 3.621 13.022 -6.447 1.00 0.00 H new ATOM 1277 N VAL A 82 7.950 7.024 -1.903 1.00 0.00 N ATOM 1278 CA VAL A 82 8.453 6.241 -0.787 1.00 0.00 C ATOM 1279 C VAL A 82 7.548 6.453 0.428 1.00 0.00 C ATOM 1280 O VAL A 82 7.479 7.555 0.970 1.00 0.00 O ATOM 1281 CB VAL A 82 9.915 6.600 -0.514 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.556 5.595 0.445 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.709 6.697 -1.818 1.00 0.00 C ATOM 0 H VAL A 82 8.122 8.027 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 82 8.432 5.178 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 82 9.936 7.579 -0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.595 5.873 0.622 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.013 5.597 1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.517 4.598 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.745 6.953 -1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.676 5.739 -2.336 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.273 7.468 -2.453 1.00 0.00 H new ATOM 1293 N PHE A 83 6.877 5.380 0.820 1.00 0.00 N ATOM 1294 CA PHE A 83 5.979 5.435 1.961 1.00 0.00 C ATOM 1295 C PHE A 83 6.599 4.748 3.180 1.00 0.00 C ATOM 1296 O PHE A 83 7.114 3.636 3.075 1.00 0.00 O ATOM 1297 CB PHE A 83 4.704 4.689 1.564 1.00 0.00 C ATOM 1298 CG PHE A 83 3.812 5.459 0.587 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.231 6.626 0.972 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.600 4.975 -0.666 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.404 7.341 0.066 1.00 0.00 C ATOM 1302 CE2 PHE A 83 2.772 5.689 -1.572 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.192 6.857 -1.187 1.00 0.00 C ATOM 0 H PHE A 83 6.937 4.468 0.368 1.00 0.00 H new ATOM 0 HA PHE A 83 5.777 6.473 2.225 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.978 3.735 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.131 4.465 2.464 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.399 7.010 1.968 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.061 4.048 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.944 8.269 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.603 5.304 -2.567 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.563 7.400 -1.876 1.00 0.00 H new ATOM 1313 N LYS A 84 6.528 5.438 4.309 1.00 0.00 N ATOM 1314 CA LYS A 84 7.075 4.908 5.546 1.00 0.00 C ATOM 1315 C LYS A 84 6.006 4.968 6.639 1.00 0.00 C ATOM 1316 O LYS A 84 5.468 6.036 6.927 1.00 0.00 O ATOM 1317 CB LYS A 84 8.371 5.634 5.913 1.00 0.00 C ATOM 1318 CG LYS A 84 8.816 5.279 7.333 1.00 0.00 C ATOM 1319 CD LYS A 84 9.815 6.306 7.868 1.00 0.00 C ATOM 1320 CE LYS A 84 11.216 5.703 7.978 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.711 5.790 9.370 1.00 0.00 N ATOM 0 H LYS A 84 6.100 6.360 4.393 1.00 0.00 H new ATOM 0 HA LYS A 84 7.347 3.860 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.155 5.366 5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.224 6.711 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.947 5.235 7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.270 4.288 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.839 7.173 7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.490 6.659 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.196 4.661 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.898 6.229 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.287 4.952 9.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.291 6.646 9.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.903 5.833 10.024 1.00 0.00 H new ATOM 1335 N ALA A 85 5.730 3.809 7.216 1.00 0.00 N ATOM 1336 CA ALA A 85 4.735 3.716 8.271 1.00 0.00 C ATOM 1337 C ALA A 85 5.385 4.064 9.612 1.00 0.00 C ATOM 1338 O ALA A 85 6.575 3.824 9.810 1.00 0.00 O ATOM 1339 CB ALA A 85 4.117 2.316 8.269 1.00 0.00 C ATOM 0 H ALA A 85 6.178 2.925 6.973 1.00 0.00 H new ATOM 0 HA ALA A 85 3.928 4.429 8.101 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.371 2.247 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.643 2.129 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.897 1.574 8.440 1.00 0.00 H new ATOM 1345 N ASP A 86 4.575 4.625 10.498 1.00 0.00 N ATOM 1346 CA ASP A 86 5.057 5.009 11.814 1.00 0.00 C ATOM 1347 C ASP A 86 5.999 3.926 12.343 1.00 0.00 C ATOM 1348 O ASP A 86 7.200 4.155 12.479 1.00 0.00 O ATOM 1349 CB ASP A 86 3.899 5.153 12.804 1.00 0.00 C ATOM 1350 CG ASP A 86 3.216 6.522 12.805 1.00 0.00 C ATOM 1351 OD1 ASP A 86 3.956 7.525 12.718 1.00 0.00 O ATOM 1352 OD2 ASP A 86 1.969 6.534 12.893 1.00 0.00 O ATOM 0 H ASP A 86 3.588 4.823 10.330 1.00 0.00 H new ATOM 0 HA ASP A 86 5.572 5.965 11.719 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.152 4.391 12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.271 4.949 13.808 1.00 0.00 H new ATOM 1357 N ASP A 87 5.419 2.769 12.628 1.00 0.00 N ATOM 1358 CA ASP A 87 6.192 1.650 13.140 1.00 0.00 C ATOM 1359 C ASP A 87 6.518 0.693 11.991 1.00 0.00 C ATOM 1360 O ASP A 87 6.128 0.933 10.849 1.00 0.00 O ATOM 1361 CB ASP A 87 5.402 0.871 14.194 1.00 0.00 C ATOM 1362 CG ASP A 87 5.746 1.215 15.644 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.664 2.417 15.978 1.00 0.00 O ATOM 1364 OD2 ASP A 87 6.084 0.269 16.387 1.00 0.00 O ATOM 0 H ASP A 87 4.423 2.582 12.514 1.00 0.00 H new ATOM 0 HA ASP A 87 7.101 2.047 13.591 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.339 1.051 14.036 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.571 -0.195 14.039 1.00 0.00 H new ATOM 1369 N ALA A 88 7.229 -0.371 12.333 1.00 0.00 N ATOM 1370 CA ALA A 88 7.612 -1.364 11.345 1.00 0.00 C ATOM 1371 C ALA A 88 6.470 -2.367 11.167 1.00 0.00 C ATOM 1372 O ALA A 88 6.151 -2.758 10.045 1.00 0.00 O ATOM 1373 CB ALA A 88 8.917 -2.037 11.775 1.00 0.00 C ATOM 0 H ALA A 88 7.550 -0.567 13.281 1.00 0.00 H new ATOM 0 HA ALA A 88 7.792 -0.893 10.378 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.204 -2.782 11.033 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.703 -1.287 11.858 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.775 -2.522 12.741 1.00 0.00 H new ATOM 1379 N HIS A 89 5.886 -2.755 12.291 1.00 0.00 N ATOM 1380 CA HIS A 89 4.786 -3.704 12.274 1.00 0.00 C ATOM 1381 C HIS A 89 3.695 -3.209 11.323 1.00 0.00 C ATOM 1382 O HIS A 89 2.994 -4.009 10.705 1.00 0.00 O ATOM 1383 CB HIS A 89 4.267 -3.960 13.690 1.00 0.00 C ATOM 1384 CG HIS A 89 5.209 -4.765 14.553 1.00 0.00 C ATOM 1385 ND1 HIS A 89 5.276 -4.619 15.928 1.00 0.00 N ATOM 1386 CD2 HIS A 89 6.120 -5.726 14.223 1.00 0.00 C ATOM 1387 CE1 HIS A 89 6.190 -5.458 16.393 1.00 0.00 C ATOM 1388 NE2 HIS A 89 6.712 -6.143 15.335 1.00 0.00 N ATOM 0 H HIS A 89 6.154 -2.429 13.220 1.00 0.00 H new ATOM 0 HA HIS A 89 5.137 -4.665 11.899 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.075 -3.003 14.174 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.312 -4.482 13.627 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.325 -6.086 13.226 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.472 -5.579 17.428 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.438 -6.858 15.390 1.00 0.00 H new ATOM 1396 N SER A 90 3.585 -1.891 11.235 1.00 0.00 N ATOM 1397 CA SER A 90 2.591 -1.279 10.370 1.00 0.00 C ATOM 1398 C SER A 90 3.003 -1.437 8.905 1.00 0.00 C ATOM 1399 O SER A 90 2.171 -1.744 8.052 1.00 0.00 O ATOM 1400 CB SER A 90 2.400 0.200 10.711 1.00 0.00 C ATOM 1401 OG SER A 90 1.771 0.380 11.977 1.00 0.00 O ATOM 0 H SER A 90 4.168 -1.230 11.749 1.00 0.00 H new ATOM 0 HA SER A 90 1.640 -1.787 10.530 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.369 0.699 10.714 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.798 0.676 9.937 1.00 0.00 H new ATOM 0 HG SER A 90 1.669 1.338 12.158 1.00 0.00 H new ATOM 1407 N THR A 91 4.287 -1.221 8.659 1.00 0.00 N ATOM 1408 CA THR A 91 4.819 -1.336 7.312 1.00 0.00 C ATOM 1409 C THR A 91 4.278 -2.594 6.630 1.00 0.00 C ATOM 1410 O THR A 91 3.598 -2.508 5.608 1.00 0.00 O ATOM 1411 CB THR A 91 6.346 -1.303 7.403 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.631 -0.046 8.010 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.013 -1.213 6.028 1.00 0.00 C ATOM 0 H THR A 91 4.974 -0.967 9.369 1.00 0.00 H new ATOM 0 HA THR A 91 4.498 -0.503 6.687 1.00 0.00 H new ATOM 0 HB THR A 91 6.698 -2.196 7.919 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.519 0.669 7.349 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.096 -1.193 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.731 -2.079 5.430 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.687 -0.303 5.524 1.00 0.00 H new ATOM 1421 N GLN A 92 4.601 -3.735 7.222 1.00 0.00 N ATOM 1422 CA GLN A 92 4.156 -5.009 6.684 1.00 0.00 C ATOM 1423 C GLN A 92 2.716 -4.899 6.180 1.00 0.00 C ATOM 1424 O GLN A 92 2.450 -5.114 4.999 1.00 0.00 O ATOM 1425 CB GLN A 92 4.288 -6.120 7.728 1.00 0.00 C ATOM 1426 CG GLN A 92 5.693 -6.724 7.711 1.00 0.00 C ATOM 1427 CD GLN A 92 5.856 -7.702 6.546 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.535 -8.876 6.637 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.373 -7.156 5.449 1.00 0.00 N ATOM 0 H GLN A 92 5.166 -3.803 8.069 1.00 0.00 H new ATOM 0 HA GLN A 92 4.796 -5.269 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.072 -5.720 8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.551 -6.899 7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.434 -5.928 7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.882 -7.240 8.652 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.620 -6.166 5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.522 -7.727 4.617 1.00 0.00 H new ATOM 1438 N ARG A 93 1.824 -4.563 7.101 1.00 0.00 N ATOM 1439 CA ARG A 93 0.418 -4.421 6.764 1.00 0.00 C ATOM 1440 C ARG A 93 0.256 -3.553 5.515 1.00 0.00 C ATOM 1441 O ARG A 93 -0.270 -4.010 4.501 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.364 -3.792 7.919 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.591 -4.805 9.044 1.00 0.00 C ATOM 1444 CD ARG A 93 0.469 -4.657 10.137 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.107 -5.016 11.452 1.00 0.00 N ATOM 1446 CZ ARG A 93 -0.971 -4.247 12.128 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -1.365 -3.073 11.618 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.442 -4.653 13.316 1.00 0.00 N ATOM 0 H ARG A 93 2.048 -4.385 8.080 1.00 0.00 H new ATOM 0 HA ARG A 93 0.021 -5.418 6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.181 -2.930 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.324 -3.425 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.583 -4.662 9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.562 -5.816 8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.322 -5.299 9.917 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.839 -3.632 10.160 1.00 0.00 H new ATOM 0 HE ARG A 93 0.171 -5.904 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.007 -2.764 10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.023 -2.488 12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.142 -5.547 13.705 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.100 -4.068 13.831 1.00 0.00 H new ATOM 1462 N TRP A 94 0.717 -2.316 5.629 1.00 0.00 N ATOM 1463 CA TRP A 94 0.630 -1.380 4.521 1.00 0.00 C ATOM 1464 C TRP A 94 1.142 -2.087 3.264 1.00 0.00 C ATOM 1465 O TRP A 94 0.438 -2.156 2.257 1.00 0.00 O ATOM 1466 CB TRP A 94 1.390 -0.090 4.833 1.00 0.00 C ATOM 1467 CG TRP A 94 0.581 0.931 5.635 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.716 1.259 6.927 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.501 1.749 5.142 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.196 2.225 7.302 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.960 2.532 6.182 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.074 1.824 3.860 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -2.011 3.446 6.047 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.124 2.743 3.742 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.597 3.539 4.779 1.00 0.00 C ATOM 0 H TRP A 94 1.152 -1.940 6.472 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.403 -1.076 4.353 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.294 -0.339 5.388 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.707 0.368 3.896 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.447 0.822 7.592 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.292 2.638 8.230 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.731 1.221 3.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.352 4.048 6.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.600 2.840 2.777 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.413 4.226 4.607 1.00 0.00 H new ATOM 1486 N ILE A 95 2.362 -2.593 3.363 1.00 0.00 N ATOM 1487 CA ILE A 95 2.976 -3.291 2.246 1.00 0.00 C ATOM 1488 C ILE A 95 1.949 -4.232 1.613 1.00 0.00 C ATOM 1489 O ILE A 95 1.560 -4.046 0.460 1.00 0.00 O ATOM 1490 CB ILE A 95 4.259 -3.993 2.694 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.332 -2.976 3.087 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.756 -4.964 1.621 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.372 -3.607 4.015 1.00 0.00 C ATOM 0 H ILE A 95 2.942 -2.534 4.200 1.00 0.00 H new ATOM 0 HA ILE A 95 3.280 -2.584 1.474 1.00 0.00 H new ATOM 0 HB ILE A 95 4.033 -4.583 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.822 -2.595 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.867 -2.124 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.669 -5.450 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.993 -5.719 1.432 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.961 -4.416 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.123 -2.863 4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.882 -3.965 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.853 -4.443 3.507 1.00 0.00 H new ATOM 1505 N ASP A 96 1.539 -5.221 2.393 1.00 0.00 N ATOM 1506 CA ASP A 96 0.565 -6.191 1.922 1.00 0.00 C ATOM 1507 C ASP A 96 -0.676 -5.455 1.412 1.00 0.00 C ATOM 1508 O ASP A 96 -1.216 -5.796 0.361 1.00 0.00 O ATOM 1509 CB ASP A 96 0.129 -7.126 3.052 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.832 -8.241 2.633 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.468 -8.981 1.694 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.908 -8.328 3.263 1.00 0.00 O ATOM 0 H ASP A 96 1.863 -5.372 3.348 1.00 0.00 H new ATOM 0 HA ASP A 96 1.028 -6.776 1.128 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.017 -7.579 3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.346 -6.532 3.833 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.091 -4.458 2.180 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.258 -3.671 1.819 1.00 0.00 C ATOM 1519 C ALA A 97 -2.134 -3.222 0.362 1.00 0.00 C ATOM 1520 O ALA A 97 -3.130 -3.148 -0.356 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.396 -2.491 2.783 1.00 0.00 C ATOM 0 H ALA A 97 -0.640 -4.177 3.051 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.165 -4.269 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.271 -1.901 2.512 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.510 -2.864 3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.505 -1.867 2.724 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.902 -2.935 -0.033 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.635 -2.496 -1.392 1.00 0.00 C ATOM 1529 C PHE A 98 -0.466 -3.691 -2.332 1.00 0.00 C ATOM 1530 O PHE A 98 -0.977 -3.682 -3.451 1.00 0.00 O ATOM 1531 CB PHE A 98 0.672 -1.702 -1.356 1.00 0.00 C ATOM 1532 CG PHE A 98 0.491 -0.218 -1.032 1.00 0.00 C ATOM 1533 CD1 PHE A 98 0.081 0.645 -2.001 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.738 0.239 0.225 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.088 2.022 -1.700 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.569 1.616 0.526 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.160 2.479 -0.443 1.00 0.00 C ATOM 0 H PHE A 98 -0.078 -2.998 0.565 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.467 -1.895 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.335 -2.147 -0.614 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.168 -1.794 -2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.116 0.282 -2.999 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.063 -0.446 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.414 2.707 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.765 1.979 1.524 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.032 3.527 -0.214 1.00 0.00 H new ATOM 1547 N GLN A 99 0.251 -4.692 -1.842 1.00 0.00 N ATOM 1548 CA GLN A 99 0.494 -5.892 -2.624 1.00 0.00 C ATOM 1549 C GLN A 99 -0.828 -6.594 -2.941 1.00 0.00 C ATOM 1550 O GLN A 99 -1.096 -6.928 -4.094 1.00 0.00 O ATOM 1551 CB GLN A 99 1.455 -6.835 -1.898 1.00 0.00 C ATOM 1552 CG GLN A 99 2.889 -6.646 -2.397 1.00 0.00 C ATOM 1553 CD GLN A 99 3.026 -7.090 -3.855 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.541 -8.134 -4.260 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.711 -6.243 -4.617 1.00 0.00 N ATOM 0 H GLN A 99 0.672 -4.696 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 99 0.964 -5.601 -3.564 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.412 -6.649 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.145 -7.868 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.175 -5.598 -2.304 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.574 -7.220 -1.773 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.090 -5.386 -4.214 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.858 -6.450 -5.605 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.619 -6.798 -1.898 1.00 0.00 N ATOM 1565 CA GLU A 100 -2.906 -7.455 -2.051 1.00 0.00 C ATOM 1566 C GLU A 100 -3.882 -6.542 -2.795 1.00 0.00 C ATOM 1567 O GLU A 100 -4.960 -6.977 -3.198 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.473 -7.872 -0.693 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.483 -9.395 -0.548 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.912 -9.940 -0.573 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.594 -9.793 0.464 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -5.291 -10.490 -1.630 1.00 0.00 O ATOM 0 H GLU A 100 -1.393 -6.520 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.763 -8.360 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.876 -7.431 0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.486 -7.486 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.905 -9.844 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.999 -9.678 0.387 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.470 -5.293 -2.956 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.295 -4.315 -3.645 1.00 0.00 C ATOM 1581 C GLY A 101 -4.175 -4.469 -5.163 1.00 0.00 C ATOM 1582 O GLY A 101 -5.176 -4.667 -5.851 1.00 0.00 O ATOM 0 H GLY A 101 -2.575 -4.936 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.336 -4.436 -3.345 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.994 -3.309 -3.353 1.00 0.00 H new ATOM 1586 N THR A 102 -2.943 -4.373 -5.640 1.00 0.00 N ATOM 1587 CA THR A 102 -2.680 -4.499 -7.063 1.00 0.00 C ATOM 1588 C THR A 102 -3.133 -5.870 -7.570 1.00 0.00 C ATOM 1589 O THR A 102 -3.671 -5.982 -8.671 1.00 0.00 O ATOM 1590 CB THR A 102 -1.192 -4.227 -7.295 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.538 -5.345 -6.701 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.684 -3.027 -6.493 1.00 0.00 C ATOM 0 H THR A 102 -2.116 -4.209 -5.066 1.00 0.00 H new ATOM 0 HA THR A 102 -3.252 -3.770 -7.637 1.00 0.00 H new ATOM 0 HB THR A 102 -1.016 -4.054 -8.357 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.432 -5.251 -6.807 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.377 -2.878 -6.694 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.238 -2.134 -6.784 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.829 -3.213 -5.429 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.899 -6.878 -6.743 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.276 -8.236 -7.094 1.00 0.00 C ATOM 1602 C VAL A 103 -4.745 -8.463 -6.731 1.00 0.00 C ATOM 1603 O VAL A 103 -5.491 -7.507 -6.523 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.333 -9.233 -6.416 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.876 -8.947 -6.786 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.525 -9.225 -4.899 1.00 0.00 C ATOM 0 H VAL A 103 -2.453 -6.781 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.178 -8.394 -8.168 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.582 -10.230 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.227 -9.669 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.752 -9.028 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.610 -7.940 -6.465 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.843 -9.942 -4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.316 -8.228 -4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.553 -9.499 -4.661 1.00 0.00 H new