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 Set 1.1: A 76 LYS NZ :NH3+ 149:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 MET CE :methyl -153:sc= -1.14 (180deg=-3.11!) USER MOD Set 2.1: A 15 TYR OH : rot 92:sc= 1.24 USER MOD Set 2.2: A 26 HIS :FLIP no HE2:sc= -9.05! C(o=-13!,f=-7.8!) USER MOD Single : A 10 MET CE :methyl -109:sc= -0.973 (180deg=-3.96!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc=-0.00534 USER MOD Single : A 17 SER OG : rot -158:sc= 1.09 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.5!) 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 -60:sc= 0.0314 USER MOD Single : A 39 TYR OH : rot 180:sc=-0.00823 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.954 X(o=-0.95,f=-1.4) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc=-0.00249 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.53) USER MOD Single : A 75 HIS : no HD1:sc= -2.86! C(o=-2.9!,f=-5.3!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.265 F(o=-0.85,f=-0.26) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -70:sc= -6.22! USER MOD Single : A 92 GLN : amide:sc= -0.425 X(o=-0.42,f=-0.17) USER MOD Single : A 99 GLN : amide:sc= 0.178 K(o=0.18,f=-1.2) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.217 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.237 -0.017 5.624 1.00 0.00 N ATOM 92 CA MET A 10 -5.963 0.582 5.985 1.00 0.00 C ATOM 93 C MET A 10 -6.074 2.106 6.056 1.00 0.00 C ATOM 94 O MET A 10 -6.571 2.740 5.126 1.00 0.00 O ATOM 95 CB MET A 10 -4.905 0.194 4.950 1.00 0.00 C ATOM 96 CG MET A 10 -3.494 0.399 5.506 1.00 0.00 C ATOM 97 SD MET A 10 -3.022 -1.003 6.503 1.00 0.00 S ATOM 98 CE MET A 10 -2.049 -0.181 7.754 1.00 0.00 C ATOM 0 HA MET A 10 -5.674 0.212 6.969 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.038 -0.849 4.662 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.035 0.793 4.049 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.787 0.528 4.687 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.459 1.310 6.104 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.996 -0.425 7.615 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.186 0.897 7.671 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.371 -0.513 8.741 1.00 0.00 H new ATOM 108 N SER A 11 -5.604 2.651 7.169 1.00 0.00 N ATOM 109 CA SER A 11 -5.644 4.088 7.374 1.00 0.00 C ATOM 110 C SER A 11 -4.616 4.496 8.431 1.00 0.00 C ATOM 111 O SER A 11 -4.392 3.768 9.396 1.00 0.00 O ATOM 112 CB SER A 11 -7.043 4.547 7.790 1.00 0.00 C ATOM 113 OG SER A 11 -7.302 4.289 9.167 1.00 0.00 O ATOM 0 H SER A 11 -5.193 2.122 7.938 1.00 0.00 H new ATOM 0 HA SER A 11 -5.397 4.574 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.147 5.614 7.595 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.788 4.037 7.179 1.00 0.00 H new ATOM 0 HG SER A 11 -8.204 4.598 9.394 1.00 0.00 H new ATOM 119 N GLY A 12 -4.018 5.658 8.212 1.00 0.00 N ATOM 120 CA GLY A 12 -3.019 6.170 9.134 1.00 0.00 C ATOM 121 C GLY A 12 -2.068 7.140 8.428 1.00 0.00 C ATOM 122 O GLY A 12 -1.901 7.075 7.211 1.00 0.00 O ATOM 0 H GLY A 12 -4.206 6.259 7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.511 6.677 9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.451 5.342 9.558 1.00 0.00 H new ATOM 126 N TYR A 13 -1.470 8.015 9.223 1.00 0.00 N ATOM 127 CA TYR A 13 -0.541 8.997 8.690 1.00 0.00 C ATOM 128 C TYR A 13 0.742 8.325 8.196 1.00 0.00 C ATOM 129 O TYR A 13 1.304 7.472 8.881 1.00 0.00 O ATOM 130 CB TYR A 13 -0.198 9.929 9.853 1.00 0.00 C ATOM 131 CG TYR A 13 -1.226 11.039 10.084 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.322 12.086 9.191 1.00 0.00 C ATOM 133 CD2 TYR A 13 -2.056 10.992 11.186 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.290 13.131 9.409 1.00 0.00 C ATOM 135 CE2 TYR A 13 -3.023 12.037 11.403 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.092 13.055 10.504 1.00 0.00 C ATOM 137 OH TYR A 13 -4.005 14.041 10.710 1.00 0.00 O ATOM 0 H TYR A 13 -1.611 8.064 10.232 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.985 9.527 7.847 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.106 9.338 10.764 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.776 10.382 9.667 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.672 12.123 8.329 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.980 10.172 11.885 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.376 13.956 8.718 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.679 12.013 12.261 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.509 13.855 11.530 1.00 0.00 H new ATOM 147 N LEU A 14 1.168 8.735 7.010 1.00 0.00 N ATOM 148 CA LEU A 14 2.374 8.183 6.416 1.00 0.00 C ATOM 149 C LEU A 14 3.230 9.322 5.859 1.00 0.00 C ATOM 150 O LEU A 14 2.770 10.459 5.761 1.00 0.00 O ATOM 151 CB LEU A 14 2.021 7.115 5.379 1.00 0.00 C ATOM 152 CG LEU A 14 1.069 6.013 5.848 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.531 5.212 4.661 1.00 0.00 C ATOM 154 CD2 LEU A 14 1.740 5.116 6.889 1.00 0.00 C ATOM 0 H LEU A 14 0.700 9.443 6.444 1.00 0.00 H new ATOM 0 HA LEU A 14 2.972 7.674 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.576 7.609 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.945 6.648 5.038 1.00 0.00 H new ATOM 0 HG LEU A 14 0.213 6.483 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.143 4.435 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.010 5.878 3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.362 4.752 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.042 4.341 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.624 4.651 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.033 5.715 7.751 1.00 0.00 H new ATOM 166 N TYR A 15 4.461 8.979 5.510 1.00 0.00 N ATOM 167 CA TYR A 15 5.386 9.958 4.965 1.00 0.00 C ATOM 168 C TYR A 15 5.701 9.659 3.498 1.00 0.00 C ATOM 169 O TYR A 15 6.277 8.618 3.183 1.00 0.00 O ATOM 170 CB TYR A 15 6.670 9.829 5.787 1.00 0.00 C ATOM 171 CG TYR A 15 6.592 10.481 7.169 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.264 11.816 7.284 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.850 9.733 8.300 1.00 0.00 C ATOM 174 CE1 TYR A 15 6.191 12.430 8.585 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.777 10.347 9.601 1.00 0.00 C ATOM 176 CZ TYR A 15 6.451 11.665 9.679 1.00 0.00 C ATOM 177 OH TYR A 15 6.382 12.245 10.907 1.00 0.00 O ATOM 0 H TYR A 15 4.840 8.036 5.594 1.00 0.00 H new ATOM 0 HA TYR A 15 4.957 10.959 5.014 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.907 8.772 5.908 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.492 10.278 5.230 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.062 12.401 6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.106 8.688 8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.936 13.474 8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.977 9.774 10.494 1.00 0.00 H new ATOM 0 HH TYR A 15 5.479 12.134 11.271 1.00 0.00 H new ATOM 187 N ARG A 16 5.310 10.589 2.640 1.00 0.00 N ATOM 188 CA ARG A 16 5.543 10.438 1.214 1.00 0.00 C ATOM 189 C ARG A 16 6.804 11.200 0.799 1.00 0.00 C ATOM 190 O ARG A 16 6.947 12.382 1.105 1.00 0.00 O ATOM 191 CB ARG A 16 4.353 10.954 0.403 1.00 0.00 C ATOM 192 CG ARG A 16 4.598 10.786 -1.098 1.00 0.00 C ATOM 193 CD ARG A 16 3.294 10.473 -1.835 1.00 0.00 C ATOM 194 NE ARG A 16 2.814 11.678 -2.548 1.00 0.00 N ATOM 195 CZ ARG A 16 1.563 11.834 -3.001 1.00 0.00 C ATOM 196 NH1 ARG A 16 0.659 10.863 -2.819 1.00 0.00 N ATOM 197 NH2 ARG A 16 1.217 12.962 -3.636 1.00 0.00 N ATOM 0 H ARG A 16 4.833 11.451 2.905 1.00 0.00 H new ATOM 0 HA ARG A 16 5.673 9.375 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.451 10.414 0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.181 12.006 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.039 11.697 -1.502 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.316 9.983 -1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.453 9.660 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.538 10.134 -1.126 1.00 0.00 H new ATOM 0 HE ARG A 16 3.477 12.437 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.923 10.005 -2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.294 10.982 -3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.906 13.701 -3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.265 13.081 -3.981 1.00 0.00 H new ATOM 211 N SER A 17 7.684 10.491 0.108 1.00 0.00 N ATOM 212 CA SER A 17 8.928 11.086 -0.353 1.00 0.00 C ATOM 213 C SER A 17 9.064 10.908 -1.866 1.00 0.00 C ATOM 214 O SER A 17 8.251 10.227 -2.490 1.00 0.00 O ATOM 215 CB SER A 17 10.131 10.471 0.365 1.00 0.00 C ATOM 216 OG SER A 17 11.120 10.008 -0.552 1.00 0.00 O ATOM 0 H SER A 17 7.561 9.510 -0.144 1.00 0.00 H new ATOM 0 HA SER A 17 8.905 12.151 -0.120 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.573 11.211 1.032 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.797 9.641 0.987 1.00 0.00 H new ATOM 0 HG SER A 17 11.680 9.333 -0.116 1.00 0.00 H new ATOM 222 N LYS A 18 10.098 11.531 -2.412 1.00 0.00 N ATOM 223 CA LYS A 18 10.351 11.450 -3.841 1.00 0.00 C ATOM 224 C LYS A 18 11.733 10.837 -4.075 1.00 0.00 C ATOM 225 O LYS A 18 12.389 11.139 -5.071 1.00 0.00 O ATOM 226 CB LYS A 18 10.167 12.820 -4.496 1.00 0.00 C ATOM 227 CG LYS A 18 8.708 13.042 -4.903 1.00 0.00 C ATOM 228 CD LYS A 18 8.567 13.105 -6.425 1.00 0.00 C ATOM 229 CE LYS A 18 8.133 14.500 -6.878 1.00 0.00 C ATOM 230 NZ LYS A 18 7.386 14.421 -8.153 1.00 0.00 N ATOM 0 H LYS A 18 10.770 12.094 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 18 9.625 10.793 -4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.478 13.603 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.809 12.897 -5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.090 12.234 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.340 13.968 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.517 12.846 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.836 12.367 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.509 14.960 -6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.008 15.138 -7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.099 15.376 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.993 14.002 -8.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.540 13.829 -8.024 1.00 0.00 H new ATOM 244 N GLY A 19 12.134 9.987 -3.142 1.00 0.00 N ATOM 245 CA GLY A 19 13.426 9.328 -3.234 1.00 0.00 C ATOM 246 C GLY A 19 13.941 8.934 -1.849 1.00 0.00 C ATOM 247 O GLY A 19 13.155 8.738 -0.923 1.00 0.00 O ATOM 0 H GLY A 19 11.587 9.739 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.341 8.440 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.143 9.992 -3.717 1.00 0.00 H new ATOM 251 N SER A 20 15.258 8.828 -1.750 1.00 0.00 N ATOM 252 CA SER A 20 15.887 8.460 -0.493 1.00 0.00 C ATOM 253 C SER A 20 16.416 9.710 0.213 1.00 0.00 C ATOM 254 O SER A 20 16.100 9.949 1.378 1.00 0.00 O ATOM 255 CB SER A 20 17.021 7.457 -0.717 1.00 0.00 C ATOM 256 OG SER A 20 16.728 6.183 -0.150 1.00 0.00 O ATOM 0 H SER A 20 15.907 8.991 -2.520 1.00 0.00 H new ATOM 0 HA SER A 20 15.137 7.984 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.200 7.345 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.940 7.846 -0.279 1.00 0.00 H new ATOM 0 HG SER A 20 17.475 5.571 -0.316 1.00 0.00 H new ATOM 262 N LYS A 21 17.212 10.473 -0.521 1.00 0.00 N ATOM 263 CA LYS A 21 17.787 11.692 0.021 1.00 0.00 C ATOM 264 C LYS A 21 16.749 12.814 -0.045 1.00 0.00 C ATOM 265 O LYS A 21 17.040 13.956 0.308 1.00 0.00 O ATOM 266 CB LYS A 21 19.100 12.027 -0.690 1.00 0.00 C ATOM 267 CG LYS A 21 20.211 11.061 -0.274 1.00 0.00 C ATOM 268 CD LYS A 21 21.585 11.725 -0.384 1.00 0.00 C ATOM 269 CE LYS A 21 22.660 10.875 0.297 1.00 0.00 C ATOM 270 NZ LYS A 21 23.102 9.783 -0.598 1.00 0.00 N ATOM 0 H LYS A 21 17.472 10.271 -1.486 1.00 0.00 H new ATOM 0 HA LYS A 21 18.045 11.557 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.956 11.978 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.395 13.049 -0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.044 10.729 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.181 10.173 -0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.841 11.869 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.553 12.713 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.511 11.501 0.564 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.268 10.457 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.831 9.216 -0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 22.290 9.176 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.495 10.188 -1.472 1.00 0.00 H new ATOM 284 N LYS A 22 15.559 12.450 -0.499 1.00 0.00 N ATOM 285 CA LYS A 22 14.476 13.411 -0.616 1.00 0.00 C ATOM 286 C LYS A 22 13.797 13.576 0.745 1.00 0.00 C ATOM 287 O LYS A 22 13.862 12.681 1.587 1.00 0.00 O ATOM 288 CB LYS A 22 13.517 13.005 -1.737 1.00 0.00 C ATOM 289 CG LYS A 22 14.110 13.327 -3.110 1.00 0.00 C ATOM 290 CD LYS A 22 13.442 14.560 -3.721 1.00 0.00 C ATOM 291 CE LYS A 22 13.854 14.739 -5.183 1.00 0.00 C ATOM 292 NZ LYS A 22 13.017 15.771 -5.835 1.00 0.00 N ATOM 0 H LYS A 22 15.321 11.502 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 22 14.864 14.389 -0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.305 11.938 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.568 13.527 -1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.182 13.499 -3.016 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.982 12.473 -3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.359 14.462 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.717 15.447 -3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.904 15.026 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.754 13.792 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.310 15.880 -6.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.019 15.482 -5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.133 16.677 -5.338 1.00 0.00 H new ATOM 306 N PRO A 23 13.143 14.755 0.923 1.00 0.00 N ATOM 307 CA PRO A 23 12.453 15.048 2.168 1.00 0.00 C ATOM 308 C PRO A 23 11.141 14.267 2.263 1.00 0.00 C ATOM 309 O PRO A 23 10.517 13.967 1.247 1.00 0.00 O ATOM 310 CB PRO A 23 12.249 16.554 2.159 1.00 0.00 C ATOM 311 CG PRO A 23 12.412 16.989 0.712 1.00 0.00 C ATOM 312 CD PRO A 23 13.045 15.837 -0.052 1.00 0.00 C ATOM 0 HA PRO A 23 13.021 14.742 3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.261 16.816 2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.977 17.050 2.800 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.445 17.248 0.280 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.038 17.879 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.434 15.546 -0.907 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.026 16.111 -0.440 1.00 0.00 H new ATOM 320 N TRP A 24 10.760 13.961 3.495 1.00 0.00 N ATOM 321 CA TRP A 24 9.533 13.221 3.737 1.00 0.00 C ATOM 322 C TRP A 24 8.385 14.227 3.831 1.00 0.00 C ATOM 323 O TRP A 24 8.595 15.381 4.200 1.00 0.00 O ATOM 324 CB TRP A 24 9.660 12.340 4.982 1.00 0.00 C ATOM 325 CG TRP A 24 10.695 11.221 4.849 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.934 11.178 5.359 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.530 9.977 4.137 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.576 10.002 5.029 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.696 9.249 4.262 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.432 9.483 3.411 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.875 7.984 3.688 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.628 8.218 2.843 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.795 7.472 2.960 1.00 0.00 C ATOM 0 H TRP A 24 11.280 14.212 4.336 1.00 0.00 H new ATOM 0 HA TRP A 24 9.328 12.535 2.915 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.925 12.967 5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.688 11.898 5.203 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.374 11.965 5.953 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.523 9.735 5.299 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.511 10.035 3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.797 7.433 3.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.815 7.792 2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.868 6.502 2.491 1.00 0.00 H new ATOM 344 N LYS A 25 7.195 13.753 3.491 1.00 0.00 N ATOM 345 CA LYS A 25 6.013 14.597 3.533 1.00 0.00 C ATOM 346 C LYS A 25 4.887 13.854 4.255 1.00 0.00 C ATOM 347 O LYS A 25 4.345 12.882 3.731 1.00 0.00 O ATOM 348 CB LYS A 25 5.639 15.064 2.125 1.00 0.00 C ATOM 349 CG LYS A 25 6.591 16.158 1.639 1.00 0.00 C ATOM 350 CD LYS A 25 7.090 15.861 0.224 1.00 0.00 C ATOM 351 CE LYS A 25 6.856 17.057 -0.702 1.00 0.00 C ATOM 352 NZ LYS A 25 5.803 16.746 -1.694 1.00 0.00 N ATOM 0 H LYS A 25 7.024 12.795 3.185 1.00 0.00 H new ATOM 0 HA LYS A 25 6.212 15.505 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.670 14.219 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.616 15.440 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.082 17.121 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.439 16.235 2.319 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.153 15.621 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.576 14.985 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.565 17.928 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.783 17.314 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.657 17.568 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.096 15.928 -2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.915 16.523 -1.200 1.00 0.00 H new ATOM 366 N HIS A 26 4.568 14.340 5.445 1.00 0.00 N ATOM 367 CA HIS A 26 3.516 13.735 6.244 1.00 0.00 C ATOM 368 C HIS A 26 2.168 13.925 5.546 1.00 0.00 C ATOM 369 O HIS A 26 1.726 15.054 5.338 1.00 0.00 O ATOM 370 CB HIS A 26 3.529 14.289 7.670 1.00 0.00 C ATOM 371 CG HIS A 26 3.540 13.225 8.742 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.382 11.873 8.658 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 3.730 13.514 10.082 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 3.472 11.363 9.880 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 3.687 12.379 10.764 1.00 0.00 N flip ATOM 0 H HIS A 26 5.020 15.147 5.876 1.00 0.00 H new ATOM 0 HA HIS A 26 3.692 12.663 6.332 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.406 14.924 7.794 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.654 14.923 7.811 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.222 11.343 7.801 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.887 14.497 10.500 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.389 10.316 10.133 1.00 0.00 H new ATOM 383 N LEU A 27 1.551 12.803 5.203 1.00 0.00 N ATOM 384 CA LEU A 27 0.263 12.833 4.533 1.00 0.00 C ATOM 385 C LEU A 27 -0.597 11.673 5.040 1.00 0.00 C ATOM 386 O LEU A 27 -0.084 10.735 5.648 1.00 0.00 O ATOM 387 CB LEU A 27 0.448 12.843 3.015 1.00 0.00 C ATOM 388 CG LEU A 27 0.885 14.175 2.401 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.971 13.962 1.344 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.315 14.942 1.844 1.00 0.00 C ATOM 0 H LEU A 27 1.920 11.868 5.377 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.269 13.754 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.187 12.086 2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.492 12.544 2.552 1.00 0.00 H new ATOM 0 HG LEU A 27 1.320 14.788 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.263 14.924 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.838 13.488 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.586 13.322 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.024 15.885 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.802 14.345 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.023 15.144 2.648 1.00 0.00 H new ATOM 402 N TRP A 28 -1.890 11.775 4.770 1.00 0.00 N ATOM 403 CA TRP A 28 -2.826 10.746 5.191 1.00 0.00 C ATOM 404 C TRP A 28 -3.320 10.016 3.940 1.00 0.00 C ATOM 405 O TRP A 28 -3.570 10.640 2.910 1.00 0.00 O ATOM 406 CB TRP A 28 -3.963 11.345 6.021 1.00 0.00 C ATOM 407 CG TRP A 28 -4.986 10.317 6.508 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.023 9.802 5.834 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.028 9.697 7.811 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.728 8.899 6.604 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.103 8.833 7.844 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.185 9.860 8.924 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.435 8.064 8.966 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.530 9.085 10.038 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.610 8.211 10.087 1.00 0.00 C ATOM 0 H TRP A 28 -2.312 12.554 4.265 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.337 10.024 5.845 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.538 11.857 6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.477 12.099 5.424 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.276 10.061 4.816 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.555 8.376 6.316 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.338 10.530 8.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.282 7.394 8.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.914 9.172 10.921 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.812 7.648 10.986 1.00 0.00 H new ATOM 426 N PHE A 29 -3.445 8.703 4.071 1.00 0.00 N ATOM 427 CA PHE A 29 -3.904 7.881 2.964 1.00 0.00 C ATOM 428 C PHE A 29 -4.862 6.792 3.450 1.00 0.00 C ATOM 429 O PHE A 29 -4.845 6.424 4.624 1.00 0.00 O ATOM 430 CB PHE A 29 -2.667 7.220 2.354 1.00 0.00 C ATOM 431 CG PHE A 29 -1.603 8.211 1.878 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.640 8.689 0.605 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.620 8.614 2.727 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.652 9.608 0.163 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.368 9.533 2.285 1.00 0.00 C ATOM 436 CZ PHE A 29 0.331 10.011 1.012 1.00 0.00 C ATOM 0 H PHE A 29 -3.236 8.188 4.927 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.435 8.497 2.239 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.223 6.553 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.976 6.602 1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.421 8.370 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.591 8.235 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.681 9.987 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.149 9.852 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.082 10.710 0.676 1.00 0.00 H new ATOM 446 N VAL A 30 -5.676 6.308 2.524 1.00 0.00 N ATOM 447 CA VAL A 30 -6.640 5.268 2.844 1.00 0.00 C ATOM 448 C VAL A 30 -6.788 4.330 1.644 1.00 0.00 C ATOM 449 O VAL A 30 -6.576 4.737 0.503 1.00 0.00 O ATOM 450 CB VAL A 30 -7.965 5.899 3.277 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.043 4.830 3.469 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.786 6.732 4.547 1.00 0.00 C ATOM 0 H VAL A 30 -5.688 6.616 1.552 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.291 4.668 3.684 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.294 6.568 2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.975 5.304 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.199 4.298 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.724 4.125 4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.743 7.169 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.423 6.094 5.353 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.064 7.528 4.362 1.00 0.00 H new ATOM 462 N ILE A 31 -7.151 3.091 1.944 1.00 0.00 N ATOM 463 CA ILE A 31 -7.330 2.092 0.905 1.00 0.00 C ATOM 464 C ILE A 31 -8.819 1.768 0.766 1.00 0.00 C ATOM 465 O ILE A 31 -9.373 1.020 1.570 1.00 0.00 O ATOM 466 CB ILE A 31 -6.457 0.867 1.184 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.974 1.200 1.013 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.882 -0.319 0.314 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.101 -0.026 1.290 1.00 0.00 C ATOM 0 H ILE A 31 -7.326 2.757 2.892 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.997 2.479 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.603 0.573 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.793 1.559 -0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.698 2.008 1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.246 -1.177 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.920 -0.574 0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.783 -0.052 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.051 0.238 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.267 -0.367 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.362 -0.823 0.594 1.00 0.00 H new ATOM 481 N LYS A 32 -9.425 2.346 -0.260 1.00 0.00 N ATOM 482 CA LYS A 32 -10.839 2.129 -0.515 1.00 0.00 C ATOM 483 C LYS A 32 -11.037 1.761 -1.987 1.00 0.00 C ATOM 484 O LYS A 32 -10.497 2.421 -2.873 1.00 0.00 O ATOM 485 CB LYS A 32 -11.657 3.342 -0.068 1.00 0.00 C ATOM 486 CG LYS A 32 -13.096 3.251 -0.579 1.00 0.00 C ATOM 487 CD LYS A 32 -13.997 4.258 0.138 1.00 0.00 C ATOM 488 CE LYS A 32 -14.484 3.702 1.477 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.881 3.226 1.363 1.00 0.00 N ATOM 0 H LYS A 32 -8.962 2.965 -0.925 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.208 1.291 0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.657 3.404 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.192 4.255 -0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.117 3.439 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.477 2.242 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.451 5.187 0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.853 4.499 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.839 2.882 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.418 4.474 2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.196 2.852 2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.495 4.017 1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.934 2.475 0.646 1.00 0.00 H new ATOM 503 N ASN A 33 -11.813 0.708 -2.201 1.00 0.00 N ATOM 504 CA ASN A 33 -12.089 0.245 -3.551 1.00 0.00 C ATOM 505 C ASN A 33 -10.770 -0.098 -4.247 1.00 0.00 C ATOM 506 O ASN A 33 -10.688 -0.077 -5.474 1.00 0.00 O ATOM 507 CB ASN A 33 -12.789 1.329 -4.372 1.00 0.00 C ATOM 508 CG ASN A 33 -13.114 0.825 -5.780 1.00 0.00 C ATOM 509 OD1 ASN A 33 -13.048 -0.357 -6.075 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.466 1.785 -6.630 1.00 0.00 N ATOM 0 H ASN A 33 -12.259 0.163 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.736 -0.630 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.707 1.635 -3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.152 2.211 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.701 1.551 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.501 2.755 -6.317 1.00 0.00 H new ATOM 517 N LYS A 34 -9.771 -0.407 -3.434 1.00 0.00 N ATOM 518 CA LYS A 34 -8.460 -0.754 -3.956 1.00 0.00 C ATOM 519 C LYS A 34 -7.820 0.487 -4.582 1.00 0.00 C ATOM 520 O LYS A 34 -7.091 0.384 -5.567 1.00 0.00 O ATOM 521 CB LYS A 34 -8.563 -1.942 -4.915 1.00 0.00 C ATOM 522 CG LYS A 34 -7.911 -3.189 -4.315 1.00 0.00 C ATOM 523 CD LYS A 34 -8.737 -4.440 -4.618 1.00 0.00 C ATOM 524 CE LYS A 34 -7.860 -5.694 -4.597 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.672 -6.889 -4.274 1.00 0.00 N ATOM 0 H LYS A 34 -9.843 -0.424 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.803 -1.080 -3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.611 -2.146 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.080 -1.694 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.905 -3.307 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.811 -3.068 -3.236 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.537 -4.539 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.211 -4.340 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.379 -5.825 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.065 -5.577 -3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.062 -7.731 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.111 -6.768 -3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.415 -7.008 -4.992 1.00 0.00 H new ATOM 539 N VAL A 35 -8.117 1.632 -3.984 1.00 0.00 N ATOM 540 CA VAL A 35 -7.579 2.891 -4.470 1.00 0.00 C ATOM 541 C VAL A 35 -6.885 3.622 -3.320 1.00 0.00 C ATOM 542 O VAL A 35 -7.442 3.742 -2.230 1.00 0.00 O ATOM 543 CB VAL A 35 -8.691 3.718 -5.120 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.144 5.039 -5.666 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.396 2.921 -6.219 1.00 0.00 C ATOM 0 H VAL A 35 -8.723 1.714 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.830 2.714 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.427 3.952 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.954 5.607 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.709 5.617 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.378 4.834 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.181 3.532 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.674 2.642 -6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.836 2.020 -5.790 1.00 0.00 H new ATOM 555 N LEU A 36 -5.679 4.092 -3.602 1.00 0.00 N ATOM 556 CA LEU A 36 -4.902 4.809 -2.604 1.00 0.00 C ATOM 557 C LEU A 36 -5.273 6.292 -2.644 1.00 0.00 C ATOM 558 O LEU A 36 -4.676 7.065 -3.393 1.00 0.00 O ATOM 559 CB LEU A 36 -3.408 4.543 -2.797 1.00 0.00 C ATOM 560 CG LEU A 36 -2.473 5.198 -1.777 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.433 6.716 -1.967 1.00 0.00 C ATOM 562 CD2 LEU A 36 -2.861 4.809 -0.349 1.00 0.00 C ATOM 0 H LEU A 36 -5.220 3.991 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.140 4.448 -1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.245 3.466 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.124 4.884 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.463 4.825 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.762 7.157 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.074 6.948 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.435 7.126 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.181 5.288 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.881 5.135 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.797 3.727 -0.237 1.00 0.00 H new ATOM 574 N TYR A 37 -6.257 6.646 -1.830 1.00 0.00 N ATOM 575 CA TYR A 37 -6.714 8.023 -1.763 1.00 0.00 C ATOM 576 C TYR A 37 -5.778 8.870 -0.898 1.00 0.00 C ATOM 577 O TYR A 37 -5.211 8.377 0.075 1.00 0.00 O ATOM 578 CB TYR A 37 -8.095 7.977 -1.105 1.00 0.00 C ATOM 579 CG TYR A 37 -9.221 7.556 -2.051 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.602 8.388 -3.084 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.856 6.344 -1.871 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.662 7.992 -3.974 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.916 5.948 -2.761 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.267 6.791 -3.769 1.00 0.00 C ATOM 585 OH TYR A 37 -12.269 6.417 -4.610 1.00 0.00 O ATOM 0 H TYR A 37 -6.750 6.002 -1.211 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.739 8.468 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.063 7.284 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.325 8.962 -0.698 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.105 9.336 -3.225 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.558 5.693 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -10.970 8.634 -4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.421 5.002 -2.631 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.607 5.536 -4.344 1.00 0.00 H new ATOM 595 N THR A 38 -5.647 10.131 -1.285 1.00 0.00 N ATOM 596 CA THR A 38 -4.789 11.051 -0.558 1.00 0.00 C ATOM 597 C THR A 38 -5.610 11.864 0.445 1.00 0.00 C ATOM 598 O THR A 38 -6.829 11.968 0.317 1.00 0.00 O ATOM 599 CB THR A 38 -4.049 11.916 -1.580 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.070 11.039 -2.131 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.227 13.026 -0.922 1.00 0.00 C ATOM 0 H THR A 38 -6.121 10.537 -2.092 1.00 0.00 H new ATOM 0 HA THR A 38 -4.046 10.516 0.034 1.00 0.00 H new ATOM 0 HB THR A 38 -4.768 12.358 -2.270 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.478 10.721 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.722 13.610 -1.692 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.887 13.676 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.485 12.584 -0.257 1.00 0.00 H new ATOM 609 N TYR A 39 -4.909 12.421 1.422 1.00 0.00 N ATOM 610 CA TYR A 39 -5.557 13.222 2.446 1.00 0.00 C ATOM 611 C TYR A 39 -4.539 14.091 3.189 1.00 0.00 C ATOM 612 O TYR A 39 -3.333 13.937 3.002 1.00 0.00 O ATOM 613 CB TYR A 39 -6.175 12.228 3.431 1.00 0.00 C ATOM 614 CG TYR A 39 -7.377 11.463 2.871 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.631 12.039 2.892 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.206 10.199 2.345 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.762 11.319 2.365 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.337 9.480 1.818 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.559 10.075 1.854 1.00 0.00 C ATOM 620 OH TYR A 39 -10.627 9.396 1.356 1.00 0.00 O ATOM 0 H TYR A 39 -3.898 12.333 1.526 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.298 13.886 2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.412 11.512 3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.485 12.765 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.764 13.029 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.224 9.749 2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.749 11.757 2.375 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.217 8.490 1.403 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.333 8.522 1.024 1.00 0.00 H new ATOM 630 N ALA A 40 -5.063 14.984 4.015 1.00 0.00 N ATOM 631 CA ALA A 40 -4.215 15.877 4.786 1.00 0.00 C ATOM 632 C ALA A 40 -4.417 15.603 6.278 1.00 0.00 C ATOM 633 O ALA A 40 -3.460 15.618 7.050 1.00 0.00 O ATOM 634 CB ALA A 40 -4.528 17.328 4.413 1.00 0.00 C ATOM 0 H ALA A 40 -6.064 15.108 4.167 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.164 15.701 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.892 17.998 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.341 17.479 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.574 17.542 4.632 1.00 0.00 H new ATOM 640 N ALA A 41 -5.668 15.359 6.638 1.00 0.00 N ATOM 641 CA ALA A 41 -6.008 15.081 8.024 1.00 0.00 C ATOM 642 C ALA A 41 -6.693 13.716 8.113 1.00 0.00 C ATOM 643 O ALA A 41 -7.122 13.166 7.100 1.00 0.00 O ATOM 644 CB ALA A 41 -6.884 16.210 8.571 1.00 0.00 C ATOM 0 H ALA A 41 -6.459 15.348 5.994 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.109 15.039 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.139 16.002 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.341 17.153 8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.797 16.281 7.980 1.00 0.00 H new ATOM 688 N VAL A 45 -12.275 16.675 5.200 1.00 0.00 N ATOM 689 CA VAL A 45 -13.568 16.891 4.573 1.00 0.00 C ATOM 690 C VAL A 45 -13.685 16.000 3.335 1.00 0.00 C ATOM 691 O VAL A 45 -14.778 15.556 2.987 1.00 0.00 O ATOM 692 CB VAL A 45 -13.756 18.377 4.261 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.324 19.124 5.469 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.444 19.009 3.792 1.00 0.00 C ATOM 0 HA VAL A 45 -14.374 16.611 5.252 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.477 18.460 3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.448 20.178 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.291 18.699 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.639 19.028 6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.605 20.065 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.692 18.909 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.099 18.504 2.890 1.00 0.00 H new ATOM 704 N ALA A 46 -12.544 15.766 2.703 1.00 0.00 N ATOM 705 CA ALA A 46 -12.505 14.936 1.511 1.00 0.00 C ATOM 706 C ALA A 46 -11.049 14.648 1.143 1.00 0.00 C ATOM 707 O ALA A 46 -10.135 15.279 1.671 1.00 0.00 O ATOM 708 CB ALA A 46 -13.266 15.631 0.380 1.00 0.00 C ATOM 0 H ALA A 46 -11.640 16.137 2.994 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.994 13.979 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.237 15.009 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.302 15.786 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.802 16.594 0.167 1.00 0.00 H new ATOM 714 N ALA A 47 -10.878 13.694 0.240 1.00 0.00 N ATOM 715 CA ALA A 47 -9.548 13.314 -0.205 1.00 0.00 C ATOM 716 C ALA A 47 -8.967 14.432 -1.073 1.00 0.00 C ATOM 717 O ALA A 47 -9.696 15.094 -1.810 1.00 0.00 O ATOM 718 CB ALA A 47 -9.619 11.977 -0.947 1.00 0.00 C ATOM 0 H ALA A 47 -11.639 13.173 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.883 13.178 0.648 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.621 11.693 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.010 11.210 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.276 12.075 -1.811 1.00 0.00 H new ATOM 724 N LEU A 48 -7.658 14.608 -0.958 1.00 0.00 N ATOM 725 CA LEU A 48 -6.971 15.634 -1.723 1.00 0.00 C ATOM 726 C LEU A 48 -6.793 15.156 -3.165 1.00 0.00 C ATOM 727 O LEU A 48 -6.891 15.947 -4.102 1.00 0.00 O ATOM 728 CB LEU A 48 -5.660 16.025 -1.038 1.00 0.00 C ATOM 729 CG LEU A 48 -5.780 16.536 0.399 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.399 16.716 1.034 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.610 17.820 0.457 1.00 0.00 C ATOM 0 H LEU A 48 -7.056 14.057 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.568 16.545 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.999 15.158 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.176 16.796 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.309 15.785 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.513 17.080 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.877 15.759 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.823 17.437 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.680 18.162 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.132 18.590 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.611 17.624 0.071 1.00 0.00 H new ATOM 743 N GLU A 49 -6.535 13.863 -3.298 1.00 0.00 N ATOM 744 CA GLU A 49 -6.342 13.270 -4.611 1.00 0.00 C ATOM 745 C GLU A 49 -6.767 11.800 -4.596 1.00 0.00 C ATOM 746 O GLU A 49 -7.159 11.274 -3.556 1.00 0.00 O ATOM 747 CB GLU A 49 -4.890 13.416 -5.071 1.00 0.00 C ATOM 748 CG GLU A 49 -4.635 14.811 -5.646 1.00 0.00 C ATOM 749 CD GLU A 49 -3.495 14.784 -6.665 1.00 0.00 C ATOM 750 OE1 GLU A 49 -3.508 13.860 -7.507 1.00 0.00 O ATOM 751 OE2 GLU A 49 -2.636 15.688 -6.580 1.00 0.00 O ATOM 0 H GLU A 49 -6.455 13.210 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.970 13.803 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.219 13.237 -4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.666 12.661 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.543 15.184 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.390 15.502 -4.839 1.00 0.00 H new ATOM 758 N SER A 50 -6.675 11.179 -5.763 1.00 0.00 N ATOM 759 CA SER A 50 -7.045 9.781 -5.898 1.00 0.00 C ATOM 760 C SER A 50 -6.076 9.072 -6.846 1.00 0.00 C ATOM 761 O SER A 50 -5.665 9.639 -7.858 1.00 0.00 O ATOM 762 CB SER A 50 -8.482 9.637 -6.403 1.00 0.00 C ATOM 763 OG SER A 50 -8.945 10.826 -7.039 1.00 0.00 O ATOM 0 H SER A 50 -6.349 11.619 -6.624 1.00 0.00 H new ATOM 0 HA SER A 50 -6.986 9.316 -4.914 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.538 8.805 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.138 9.394 -5.567 1.00 0.00 H new ATOM 0 HG SER A 50 -9.865 10.694 -7.349 1.00 0.00 H new ATOM 769 N GLN A 51 -5.738 7.842 -6.486 1.00 0.00 N ATOM 770 CA GLN A 51 -4.825 7.050 -7.292 1.00 0.00 C ATOM 771 C GLN A 51 -5.063 5.558 -7.052 1.00 0.00 C ATOM 772 O GLN A 51 -4.819 5.055 -5.957 1.00 0.00 O ATOM 773 CB GLN A 51 -3.371 7.427 -7.003 1.00 0.00 C ATOM 774 CG GLN A 51 -2.504 7.268 -8.254 1.00 0.00 C ATOM 775 CD GLN A 51 -3.068 8.083 -9.419 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.441 9.236 -9.280 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.109 7.422 -10.572 1.00 0.00 N ATOM 0 H GLN A 51 -6.080 7.375 -5.646 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.019 7.264 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.322 8.457 -6.651 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.981 6.798 -6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.486 7.592 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.452 6.216 -8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.780 6.457 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.469 7.879 -11.410 1.00 0.00 H new ATOM 786 N PRO A 52 -5.549 4.874 -8.123 1.00 0.00 N ATOM 787 CA PRO A 52 -5.823 3.450 -8.039 1.00 0.00 C ATOM 788 C PRO A 52 -4.525 2.640 -8.067 1.00 0.00 C ATOM 789 O PRO A 52 -3.565 3.021 -8.735 1.00 0.00 O ATOM 790 CB PRO A 52 -6.733 3.154 -9.220 1.00 0.00 C ATOM 791 CG PRO A 52 -6.560 4.319 -10.181 1.00 0.00 C ATOM 792 CD PRO A 52 -5.850 5.437 -9.436 1.00 0.00 C ATOM 0 HA PRO A 52 -6.304 3.169 -7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.462 2.212 -9.696 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.771 3.062 -8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.980 4.013 -11.052 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.529 4.659 -10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.941 5.743 -9.954 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.482 6.321 -9.352 1.00 0.00 H new ATOM 800 N LEU A 53 -4.538 1.537 -7.333 1.00 0.00 N ATOM 801 CA LEU A 53 -3.374 0.669 -7.265 1.00 0.00 C ATOM 802 C LEU A 53 -3.520 -0.455 -8.292 1.00 0.00 C ATOM 803 O LEU A 53 -3.061 -1.573 -8.064 1.00 0.00 O ATOM 804 CB LEU A 53 -3.160 0.171 -5.834 1.00 0.00 C ATOM 805 CG LEU A 53 -3.092 1.250 -4.751 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.653 0.731 -3.425 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.668 1.787 -4.601 1.00 0.00 C ATOM 0 H LEU A 53 -5.336 1.224 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.471 1.222 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.969 -0.515 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.234 -0.404 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.719 2.086 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.593 1.517 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.694 0.437 -3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.072 -0.131 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.648 2.552 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.999 0.972 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.341 2.220 -5.546 1.00 0.00 H new ATOM 819 N LEU A 54 -4.162 -0.119 -9.402 1.00 0.00 N ATOM 820 CA LEU A 54 -4.375 -1.087 -10.465 1.00 0.00 C ATOM 821 C LEU A 54 -3.107 -1.190 -11.316 1.00 0.00 C ATOM 822 O LEU A 54 -2.764 -0.257 -12.040 1.00 0.00 O ATOM 823 CB LEU A 54 -5.627 -0.733 -11.269 1.00 0.00 C ATOM 824 CG LEU A 54 -5.801 -1.468 -12.600 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.038 -0.759 -13.721 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.395 -2.938 -12.471 1.00 0.00 C ATOM 0 H LEU A 54 -4.541 0.809 -9.588 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.561 -2.076 -10.048 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.501 -0.933 -10.649 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.616 0.339 -11.467 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.858 -1.448 -12.867 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.178 -1.301 -14.656 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.415 0.258 -13.831 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.977 -0.728 -13.475 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.528 -3.438 -13.430 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.349 -3.002 -12.171 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.018 -3.423 -11.720 1.00 0.00 H new ATOM 838 N GLY A 55 -2.446 -2.332 -11.200 1.00 0.00 N ATOM 839 CA GLY A 55 -1.224 -2.570 -11.949 1.00 0.00 C ATOM 840 C GLY A 55 0.007 -2.192 -11.123 1.00 0.00 C ATOM 841 O GLY A 55 1.077 -2.775 -11.295 1.00 0.00 O ATOM 0 H GLY A 55 -2.734 -3.103 -10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.167 -3.620 -12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.240 -1.990 -12.872 1.00 0.00 H new ATOM 845 N PHE A 56 -0.185 -1.219 -10.244 1.00 0.00 N ATOM 846 CA PHE A 56 0.897 -0.757 -9.391 1.00 0.00 C ATOM 847 C PHE A 56 1.550 -1.927 -8.652 1.00 0.00 C ATOM 848 O PHE A 56 1.137 -3.075 -8.810 1.00 0.00 O ATOM 849 CB PHE A 56 0.282 0.199 -8.367 1.00 0.00 C ATOM 850 CG PHE A 56 0.076 1.622 -8.890 1.00 0.00 C ATOM 851 CD1 PHE A 56 -0.987 1.904 -9.691 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.954 2.604 -8.554 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.178 3.225 -10.176 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.762 3.925 -9.039 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.300 4.207 -9.839 1.00 0.00 C ATOM 0 H PHE A 56 -1.074 -0.738 -10.104 1.00 0.00 H new ATOM 0 HA PHE A 56 1.664 -0.269 -9.993 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.679 -0.201 -8.043 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.925 0.236 -7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.685 1.124 -9.958 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.798 2.380 -7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.021 3.450 -10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.460 4.705 -8.772 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.447 5.212 -10.207 1.00 0.00 H new ATOM 865 N THR A 57 2.560 -1.595 -7.860 1.00 0.00 N ATOM 866 CA THR A 57 3.274 -2.604 -7.096 1.00 0.00 C ATOM 867 C THR A 57 3.873 -1.988 -5.830 1.00 0.00 C ATOM 868 O THR A 57 3.866 -0.769 -5.665 1.00 0.00 O ATOM 869 CB THR A 57 4.318 -3.241 -8.014 1.00 0.00 C ATOM 870 OG1 THR A 57 3.621 -3.454 -9.239 1.00 0.00 O ATOM 871 CG2 THR A 57 4.715 -4.648 -7.562 1.00 0.00 C ATOM 0 H THR A 57 2.900 -0.642 -7.731 1.00 0.00 H new ATOM 0 HA THR A 57 2.601 -3.389 -6.751 1.00 0.00 H new ATOM 0 HB THR A 57 5.204 -2.607 -8.049 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.226 -3.864 -9.892 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.458 -5.054 -8.248 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.135 -4.602 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.835 -5.291 -7.558 1.00 0.00 H new ATOM 879 N VAL A 58 4.376 -2.860 -4.968 1.00 0.00 N ATOM 880 CA VAL A 58 4.977 -2.417 -3.721 1.00 0.00 C ATOM 881 C VAL A 58 6.187 -3.298 -3.403 1.00 0.00 C ATOM 882 O VAL A 58 6.222 -4.469 -3.778 1.00 0.00 O ATOM 883 CB VAL A 58 3.929 -2.415 -2.607 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.516 -2.958 -1.302 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.347 -1.014 -2.405 1.00 0.00 C ATOM 0 H VAL A 58 4.380 -3.870 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 58 5.336 -1.392 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 58 3.116 -3.075 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.751 -2.946 -0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.861 -3.981 -1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.355 -2.335 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.604 -1.040 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.146 -0.324 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.876 -0.679 -3.329 1.00 0.00 H new ATOM 895 N THR A 59 7.149 -2.701 -2.714 1.00 0.00 N ATOM 896 CA THR A 59 8.357 -3.417 -2.341 1.00 0.00 C ATOM 897 C THR A 59 9.023 -2.748 -1.137 1.00 0.00 C ATOM 898 O THR A 59 8.915 -1.536 -0.958 1.00 0.00 O ATOM 899 CB THR A 59 9.261 -3.492 -3.572 1.00 0.00 C ATOM 900 OG1 THR A 59 10.161 -4.558 -3.278 1.00 0.00 O ATOM 901 CG2 THR A 59 10.168 -2.267 -3.709 1.00 0.00 C ATOM 0 H THR A 59 7.116 -1.730 -2.405 1.00 0.00 H new ATOM 0 HA THR A 59 8.132 -4.435 -2.023 1.00 0.00 H new ATOM 0 HB THR A 59 8.647 -3.591 -4.467 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.783 -4.677 -4.026 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.789 -2.372 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.556 -1.369 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.806 -2.187 -2.829 1.00 0.00 H new ATOM 909 N LEU A 60 9.697 -3.567 -0.343 1.00 0.00 N ATOM 910 CA LEU A 60 10.380 -3.069 0.839 1.00 0.00 C ATOM 911 C LEU A 60 11.709 -2.433 0.424 1.00 0.00 C ATOM 912 O LEU A 60 12.372 -2.914 -0.493 1.00 0.00 O ATOM 913 CB LEU A 60 10.530 -4.181 1.879 1.00 0.00 C ATOM 914 CG LEU A 60 10.824 -3.725 3.310 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.172 -3.006 3.389 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.683 -2.866 3.858 1.00 0.00 C ATOM 0 H LEU A 60 9.785 -4.572 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 60 9.789 -2.290 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.613 -4.770 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.332 -4.846 1.558 1.00 0.00 H new ATOM 0 HG LEU A 60 10.893 -4.610 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.357 -2.692 4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.964 -3.682 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.156 -2.131 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.918 -2.556 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.557 -1.984 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.760 -3.445 3.859 1.00 0.00 H new ATOM 928 N VAL A 61 12.057 -1.360 1.119 1.00 0.00 N ATOM 929 CA VAL A 61 13.294 -0.653 0.835 1.00 0.00 C ATOM 930 C VAL A 61 14.140 -0.582 2.108 1.00 0.00 C ATOM 931 O VAL A 61 13.634 -0.240 3.175 1.00 0.00 O ATOM 932 CB VAL A 61 12.985 0.725 0.245 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.676 1.282 0.808 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.143 1.696 0.483 1.00 0.00 C ATOM 0 H VAL A 61 11.504 -0.963 1.878 1.00 0.00 H new ATOM 0 HA VAL A 61 13.877 -1.189 0.087 1.00 0.00 H new ATOM 0 HB VAL A 61 12.863 0.608 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.480 2.262 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.857 0.606 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.757 1.376 1.891 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.897 2.667 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.312 1.805 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.046 1.308 0.011 1.00 0.00 H new ATOM 1033 N SER A 68 13.061 -2.248 7.585 1.00 0.00 N ATOM 1034 CA SER A 68 11.861 -2.874 7.056 1.00 0.00 C ATOM 1035 C SER A 68 10.620 -2.126 7.548 1.00 0.00 C ATOM 1036 O SER A 68 9.583 -2.737 7.800 1.00 0.00 O ATOM 1037 CB SER A 68 11.787 -4.348 7.458 1.00 0.00 C ATOM 1038 OG SER A 68 11.244 -5.158 6.418 1.00 0.00 O ATOM 0 HA SER A 68 11.900 -2.823 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.785 -4.705 7.712 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.174 -4.449 8.354 1.00 0.00 H new ATOM 0 HG SER A 68 11.215 -6.092 6.713 1.00 0.00 H new ATOM 1044 N LYS A 69 10.768 -0.815 7.669 1.00 0.00 N ATOM 1045 CA LYS A 69 9.672 0.022 8.127 1.00 0.00 C ATOM 1046 C LYS A 69 9.394 1.106 7.084 1.00 0.00 C ATOM 1047 O LYS A 69 8.817 2.145 7.401 1.00 0.00 O ATOM 1048 CB LYS A 69 9.965 0.573 9.523 1.00 0.00 C ATOM 1049 CG LYS A 69 10.618 -0.492 10.407 1.00 0.00 C ATOM 1050 CD LYS A 69 10.501 -0.123 11.888 1.00 0.00 C ATOM 1051 CE LYS A 69 11.843 -0.293 12.602 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.400 1.025 12.980 1.00 0.00 N ATOM 0 H LYS A 69 11.630 -0.312 7.458 1.00 0.00 H new ATOM 0 HA LYS A 69 8.760 -0.566 8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.622 1.439 9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.039 0.916 9.984 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.143 -1.457 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.669 -0.599 10.137 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.162 0.908 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.749 -0.751 12.365 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.712 -0.908 13.492 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.543 -0.818 11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.311 0.891 13.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.543 1.600 12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.738 1.512 13.617 1.00 0.00 H new ATOM 1066 N VAL A 70 9.819 0.827 5.860 1.00 0.00 N ATOM 1067 CA VAL A 70 9.623 1.766 4.768 1.00 0.00 C ATOM 1068 C VAL A 70 9.486 0.992 3.455 1.00 0.00 C ATOM 1069 O VAL A 70 10.235 0.049 3.205 1.00 0.00 O ATOM 1070 CB VAL A 70 10.762 2.786 4.745 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.124 2.089 4.778 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.648 3.708 3.529 1.00 0.00 C ATOM 0 H VAL A 70 10.298 -0.035 5.601 1.00 0.00 H new ATOM 0 HA VAL A 70 8.702 2.331 4.910 1.00 0.00 H new ATOM 0 HB VAL A 70 10.678 3.401 5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.916 2.837 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.206 1.494 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.221 1.438 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.470 4.424 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.693 3.114 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.700 4.244 3.567 1.00 0.00 H new ATOM 1082 N PHE A 71 8.525 1.421 2.650 1.00 0.00 N ATOM 1083 CA PHE A 71 8.280 0.781 1.369 1.00 0.00 C ATOM 1084 C PHE A 71 8.170 1.818 0.250 1.00 0.00 C ATOM 1085 O PHE A 71 8.237 3.020 0.503 1.00 0.00 O ATOM 1086 CB PHE A 71 6.950 0.034 1.488 1.00 0.00 C ATOM 1087 CG PHE A 71 5.828 0.860 2.120 1.00 0.00 C ATOM 1088 CD1 PHE A 71 5.899 1.214 3.431 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.758 1.241 1.370 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.857 1.981 4.018 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.717 2.007 1.957 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.788 2.361 3.268 1.00 0.00 C ATOM 0 H PHE A 71 7.907 2.204 2.860 1.00 0.00 H new ATOM 0 HA PHE A 71 9.103 0.109 1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.636 -0.288 0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.103 -0.867 2.082 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.748 0.912 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.701 0.961 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.914 2.262 5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.868 2.309 1.362 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.996 2.944 3.714 1.00 0.00 H new ATOM 1102 N GLN A 72 8.004 1.316 -0.965 1.00 0.00 N ATOM 1103 CA GLN A 72 7.884 2.184 -2.124 1.00 0.00 C ATOM 1104 C GLN A 72 6.709 1.743 -2.999 1.00 0.00 C ATOM 1105 O GLN A 72 6.424 0.551 -3.107 1.00 0.00 O ATOM 1106 CB GLN A 72 9.186 2.209 -2.927 1.00 0.00 C ATOM 1107 CG GLN A 72 10.315 2.854 -2.122 1.00 0.00 C ATOM 1108 CD GLN A 72 11.621 2.865 -2.919 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.259 3.889 -3.102 1.00 0.00 O ATOM 1110 NE2 GLN A 72 11.982 1.671 -3.382 1.00 0.00 N ATOM 0 H GLN A 72 7.950 0.319 -1.172 1.00 0.00 H new ATOM 0 HA GLN A 72 7.691 3.198 -1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.466 1.193 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.035 2.761 -3.855 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.039 3.874 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.459 2.309 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.402 0.854 -3.192 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.839 1.573 -3.926 1.00 0.00 H new ATOM 1119 N LEU A 73 6.058 2.728 -3.600 1.00 0.00 N ATOM 1120 CA LEU A 73 4.920 2.456 -4.462 1.00 0.00 C ATOM 1121 C LEU A 73 5.398 2.343 -5.911 1.00 0.00 C ATOM 1122 O LEU A 73 5.580 3.352 -6.589 1.00 0.00 O ATOM 1123 CB LEU A 73 3.829 3.508 -4.256 1.00 0.00 C ATOM 1124 CG LEU A 73 2.481 3.215 -4.917 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.834 1.966 -4.315 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.556 4.432 -4.841 1.00 0.00 C ATOM 0 H LEU A 73 6.297 3.715 -3.507 1.00 0.00 H new ATOM 0 HA LEU A 73 4.464 1.501 -4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.667 3.630 -3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.196 4.462 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 73 2.657 3.009 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.877 1.781 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.490 1.108 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.673 2.118 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.605 4.196 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.383 4.693 -3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.020 5.274 -5.354 1.00 0.00 H new ATOM 1138 N LEU A 74 5.589 1.104 -6.342 1.00 0.00 N ATOM 1139 CA LEU A 74 6.043 0.846 -7.698 1.00 0.00 C ATOM 1140 C LEU A 74 4.853 0.934 -8.655 1.00 0.00 C ATOM 1141 O LEU A 74 3.733 0.572 -8.295 1.00 0.00 O ATOM 1142 CB LEU A 74 6.790 -0.488 -7.768 1.00 0.00 C ATOM 1143 CG LEU A 74 8.276 -0.444 -7.403 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.660 -1.637 -6.526 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.146 -0.350 -8.658 1.00 0.00 C ATOM 0 H LEU A 74 5.438 0.269 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 74 6.761 1.605 -8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.294 -1.195 -7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.696 -0.882 -8.780 1.00 0.00 H new ATOM 0 HG LEU A 74 8.458 0.457 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.721 -1.582 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.074 -1.617 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.460 -2.564 -7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.197 -0.320 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.967 -1.219 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.894 0.557 -9.208 1.00 0.00 H new ATOM 1157 N HIS A 75 5.134 1.417 -9.856 1.00 0.00 N ATOM 1158 CA HIS A 75 4.101 1.557 -10.868 1.00 0.00 C ATOM 1159 C HIS A 75 4.640 1.088 -12.221 1.00 0.00 C ATOM 1160 O HIS A 75 5.608 1.645 -12.735 1.00 0.00 O ATOM 1161 CB HIS A 75 3.570 2.992 -10.907 1.00 0.00 C ATOM 1162 CG HIS A 75 3.067 3.424 -12.264 1.00 0.00 C ATOM 1163 ND1 HIS A 75 3.914 3.789 -13.295 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.798 3.544 -12.747 1.00 0.00 C ATOM 1165 CE1 HIS A 75 3.177 4.114 -14.347 1.00 0.00 C ATOM 1166 NE2 HIS A 75 1.865 3.962 -14.005 1.00 0.00 N ATOM 0 H HIS A 75 6.063 1.717 -10.151 1.00 0.00 H new ATOM 0 HA HIS A 75 3.251 0.923 -10.615 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.761 3.089 -10.183 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.363 3.671 -10.592 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.891 3.334 -12.199 1.00 0.00 H new ATOM 0 HE1 HIS A 75 3.549 4.442 -15.306 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.067 4.140 -14.615 1.00 0.00 H new ATOM 1174 N LYS A 76 3.988 0.067 -12.759 1.00 0.00 N ATOM 1175 CA LYS A 76 4.390 -0.484 -14.042 1.00 0.00 C ATOM 1176 C LYS A 76 5.833 -0.984 -13.948 1.00 0.00 C ATOM 1177 O LYS A 76 6.463 -1.265 -14.967 1.00 0.00 O ATOM 1178 CB LYS A 76 4.164 0.537 -15.158 1.00 0.00 C ATOM 1179 CG LYS A 76 5.341 1.510 -15.258 1.00 0.00 C ATOM 1180 CD LYS A 76 5.640 1.859 -16.718 1.00 0.00 C ATOM 1181 CE LYS A 76 4.430 2.517 -17.384 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.858 3.653 -18.230 1.00 0.00 N ATOM 0 H LYS A 76 3.185 -0.393 -12.330 1.00 0.00 H new ATOM 0 HA LYS A 76 3.771 -1.344 -14.298 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.034 0.019 -16.108 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.245 1.091 -14.968 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.114 2.420 -14.702 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.224 1.067 -14.798 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.497 2.531 -16.767 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.913 0.955 -17.263 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.898 1.784 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.733 2.866 -16.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.206 3.752 -19.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.850 4.527 -17.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.820 3.479 -18.585 1.00 0.00 H new ATOM 1196 N GLY A 77 6.314 -1.078 -12.718 1.00 0.00 N ATOM 1197 CA GLY A 77 7.672 -1.538 -12.478 1.00 0.00 C ATOM 1198 C GLY A 77 8.554 -0.400 -11.961 1.00 0.00 C ATOM 1199 O GLY A 77 9.508 -0.636 -11.221 1.00 0.00 O ATOM 0 H GLY A 77 5.788 -0.844 -11.876 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.661 -2.352 -11.753 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.092 -1.938 -13.401 1.00 0.00 H new ATOM 1203 N MET A 78 8.203 0.810 -12.370 1.00 0.00 N ATOM 1204 CA MET A 78 8.951 1.986 -11.957 1.00 0.00 C ATOM 1205 C MET A 78 8.397 2.557 -10.650 1.00 0.00 C ATOM 1206 O MET A 78 7.184 2.588 -10.447 1.00 0.00 O ATOM 1207 CB MET A 78 8.874 3.051 -13.053 1.00 0.00 C ATOM 1208 CG MET A 78 7.422 3.449 -13.329 1.00 0.00 C ATOM 1209 SD MET A 78 7.361 5.097 -14.012 1.00 0.00 S ATOM 1210 CE MET A 78 7.392 4.713 -15.755 1.00 0.00 C ATOM 0 H MET A 78 7.411 1.002 -12.983 1.00 0.00 H new ATOM 0 HA MET A 78 9.989 1.695 -11.793 1.00 0.00 H new ATOM 0 HB2 MET A 78 9.445 3.930 -12.752 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.331 2.671 -13.967 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.968 2.742 -14.023 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.843 3.407 -12.406 1.00 0.00 H new ATOM 0 HE1 MET A 78 7.830 5.547 -16.304 1.00 0.00 H new ATOM 0 HE2 MET A 78 7.990 3.817 -15.919 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.375 4.541 -16.108 1.00 0.00 H new ATOM 1220 N VAL A 79 9.312 2.994 -9.798 1.00 0.00 N ATOM 1221 CA VAL A 79 8.931 3.563 -8.517 1.00 0.00 C ATOM 1222 C VAL A 79 8.087 4.817 -8.751 1.00 0.00 C ATOM 1223 O VAL A 79 8.363 5.593 -9.665 1.00 0.00 O ATOM 1224 CB VAL A 79 10.178 3.829 -7.671 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.828 4.635 -6.417 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.881 2.521 -7.303 1.00 0.00 C ATOM 0 H VAL A 79 10.317 2.965 -9.970 1.00 0.00 H new ATOM 0 HA VAL A 79 8.317 2.860 -7.954 1.00 0.00 H new ATOM 0 HB VAL A 79 10.868 4.423 -8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.732 4.810 -5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.393 5.591 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.110 4.078 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.764 2.739 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.200 1.890 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.181 2.001 -8.213 1.00 0.00 H new ATOM 1236 N PHE A 80 7.077 4.978 -7.909 1.00 0.00 N ATOM 1237 CA PHE A 80 6.192 6.125 -8.013 1.00 0.00 C ATOM 1238 C PHE A 80 6.422 7.102 -6.857 1.00 0.00 C ATOM 1239 O PHE A 80 6.385 8.316 -7.050 1.00 0.00 O ATOM 1240 CB PHE A 80 4.759 5.593 -7.937 1.00 0.00 C ATOM 1241 CG PHE A 80 3.693 6.617 -8.333 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.793 7.280 -9.516 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.646 6.865 -7.502 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.804 8.230 -9.884 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.657 7.815 -7.869 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.757 8.477 -9.053 1.00 0.00 C ATOM 0 H PHE A 80 6.852 4.333 -7.152 1.00 0.00 H new ATOM 0 HA PHE A 80 6.380 6.656 -8.946 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.671 4.722 -8.587 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.562 5.253 -6.920 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.625 7.084 -10.176 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.567 6.339 -6.562 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.884 8.756 -10.824 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.826 8.012 -7.208 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.004 9.199 -9.333 1.00 0.00 H new ATOM 1256 N TYR A 81 6.654 6.535 -5.683 1.00 0.00 N ATOM 1257 CA TYR A 81 6.891 7.340 -4.497 1.00 0.00 C ATOM 1258 C TYR A 81 7.471 6.491 -3.364 1.00 0.00 C ATOM 1259 O TYR A 81 7.687 5.291 -3.530 1.00 0.00 O ATOM 1260 CB TYR A 81 5.522 7.872 -4.069 1.00 0.00 C ATOM 1261 CG TYR A 81 5.109 9.166 -4.773 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.948 10.262 -4.750 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.898 9.238 -5.431 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.560 11.480 -5.413 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.510 10.456 -6.094 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.360 11.517 -6.053 1.00 0.00 C ATOM 1267 OH TYR A 81 3.993 12.667 -6.679 1.00 0.00 O ATOM 0 H TYR A 81 6.683 5.527 -5.527 1.00 0.00 H new ATOM 0 HA TYR A 81 7.602 8.138 -4.711 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.769 7.108 -4.265 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.530 8.043 -2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.895 10.206 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.241 8.381 -5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.207 12.345 -5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.565 10.525 -6.612 1.00 0.00 H new ATOM 0 HH TYR A 81 3.113 12.547 -7.094 1.00 0.00 H new ATOM 1277 N VAL A 82 7.708 7.147 -2.237 1.00 0.00 N ATOM 1278 CA VAL A 82 8.259 6.467 -1.077 1.00 0.00 C ATOM 1279 C VAL A 82 7.349 6.707 0.129 1.00 0.00 C ATOM 1280 O VAL A 82 7.192 7.842 0.577 1.00 0.00 O ATOM 1281 CB VAL A 82 9.700 6.923 -0.840 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.410 6.001 0.154 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.473 7.007 -2.157 1.00 0.00 C ATOM 0 H VAL A 82 7.528 8.142 -2.103 1.00 0.00 H new ATOM 0 HA VAL A 82 8.296 5.391 -1.246 1.00 0.00 H new ATOM 0 HB VAL A 82 9.668 7.923 -0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.433 6.347 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.878 6.014 1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.425 4.985 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.494 7.333 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.491 6.026 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.986 7.722 -2.820 1.00 0.00 H new ATOM 1293 N PHE A 83 6.774 5.620 0.622 1.00 0.00 N ATOM 1294 CA PHE A 83 5.884 5.698 1.768 1.00 0.00 C ATOM 1295 C PHE A 83 6.536 5.088 3.010 1.00 0.00 C ATOM 1296 O PHE A 83 7.190 4.050 2.927 1.00 0.00 O ATOM 1297 CB PHE A 83 4.631 4.893 1.417 1.00 0.00 C ATOM 1298 CG PHE A 83 3.712 5.582 0.406 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.032 6.706 0.761 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.573 5.071 -0.846 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.179 7.345 -0.177 1.00 0.00 C ATOM 1302 CE2 PHE A 83 2.720 5.710 -1.784 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.041 6.834 -1.429 1.00 0.00 C ATOM 0 H PHE A 83 6.907 4.680 0.249 1.00 0.00 H new ATOM 0 HA PHE A 83 5.650 6.740 1.987 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.934 3.925 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.069 4.699 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.141 7.112 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.112 4.178 -1.127 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.640 8.237 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.610 5.304 -2.779 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.392 7.321 -2.142 1.00 0.00 H new ATOM 1313 N LYS A 84 6.334 5.760 4.135 1.00 0.00 N ATOM 1314 CA LYS A 84 6.894 5.297 5.393 1.00 0.00 C ATOM 1315 C LYS A 84 5.757 4.939 6.351 1.00 0.00 C ATOM 1316 O LYS A 84 4.681 5.533 6.294 1.00 0.00 O ATOM 1317 CB LYS A 84 7.871 6.331 5.957 1.00 0.00 C ATOM 1318 CG LYS A 84 9.259 5.720 6.163 1.00 0.00 C ATOM 1319 CD LYS A 84 10.202 6.716 6.838 1.00 0.00 C ATOM 1320 CE LYS A 84 10.621 6.222 8.225 1.00 0.00 C ATOM 1321 NZ LYS A 84 12.068 5.914 8.250 1.00 0.00 N ATOM 0 H LYS A 84 5.791 6.621 4.201 1.00 0.00 H new ATOM 0 HA LYS A 84 7.479 4.390 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.941 7.180 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.494 6.713 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.177 4.820 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.673 5.416 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.086 6.862 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.711 7.685 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.392 6.981 8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.049 5.332 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.336 5.580 9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.277 5.174 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.609 6.771 8.019 1.00 0.00 H new ATOM 1335 N ALA A 85 6.033 3.968 7.210 1.00 0.00 N ATOM 1336 CA ALA A 85 5.046 3.524 8.180 1.00 0.00 C ATOM 1337 C ALA A 85 5.499 3.929 9.584 1.00 0.00 C ATOM 1338 O ALA A 85 6.685 4.155 9.817 1.00 0.00 O ATOM 1339 CB ALA A 85 4.843 2.013 8.046 1.00 0.00 C ATOM 0 H ALA A 85 6.926 3.477 7.254 1.00 0.00 H new ATOM 0 HA ALA A 85 4.083 4.000 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.103 1.679 8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.494 1.781 7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.788 1.501 8.229 1.00 0.00 H new ATOM 1345 N ASP A 86 4.529 4.008 10.484 1.00 0.00 N ATOM 1346 CA ASP A 86 4.813 4.382 11.859 1.00 0.00 C ATOM 1347 C ASP A 86 5.808 3.386 12.458 1.00 0.00 C ATOM 1348 O ASP A 86 6.931 3.755 12.799 1.00 0.00 O ATOM 1349 CB ASP A 86 3.543 4.352 12.711 1.00 0.00 C ATOM 1350 CG ASP A 86 3.494 5.389 13.836 1.00 0.00 C ATOM 1351 OD1 ASP A 86 4.347 5.282 14.743 1.00 0.00 O ATOM 1352 OD2 ASP A 86 2.604 6.264 13.763 1.00 0.00 O ATOM 0 H ASP A 86 3.546 3.819 10.288 1.00 0.00 H new ATOM 0 HA ASP A 86 5.222 5.392 11.857 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.683 4.504 12.059 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.440 3.359 13.148 1.00 0.00 H new ATOM 1357 N ASP A 87 5.360 2.145 12.569 1.00 0.00 N ATOM 1358 CA ASP A 87 6.197 1.093 13.121 1.00 0.00 C ATOM 1359 C ASP A 87 6.487 0.055 12.036 1.00 0.00 C ATOM 1360 O ASP A 87 6.033 0.194 10.901 1.00 0.00 O ATOM 1361 CB ASP A 87 5.495 0.382 14.280 1.00 0.00 C ATOM 1362 CG ASP A 87 5.204 1.261 15.498 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.815 2.349 15.571 1.00 0.00 O ATOM 1364 OD2 ASP A 87 4.377 0.825 16.328 1.00 0.00 O ATOM 0 H ASP A 87 4.428 1.844 12.286 1.00 0.00 H new ATOM 0 HA ASP A 87 7.118 1.550 13.483 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.554 -0.031 13.916 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.111 -0.459 14.597 1.00 0.00 H new ATOM 1369 N ALA A 88 7.243 -0.962 12.422 1.00 0.00 N ATOM 1370 CA ALA A 88 7.600 -2.023 11.495 1.00 0.00 C ATOM 1371 C ALA A 88 6.328 -2.726 11.017 1.00 0.00 C ATOM 1372 O ALA A 88 6.149 -2.946 9.820 1.00 0.00 O ATOM 1373 CB ALA A 88 8.577 -2.986 12.173 1.00 0.00 C ATOM 0 H ALA A 88 7.618 -1.074 13.364 1.00 0.00 H new ATOM 0 HA ALA A 88 8.101 -1.613 10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.845 -3.782 11.478 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.476 -2.444 12.468 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.107 -3.419 13.056 1.00 0.00 H new ATOM 1379 N HIS A 89 5.477 -3.058 11.976 1.00 0.00 N ATOM 1380 CA HIS A 89 4.226 -3.731 11.668 1.00 0.00 C ATOM 1381 C HIS A 89 3.478 -2.951 10.585 1.00 0.00 C ATOM 1382 O HIS A 89 3.187 -3.488 9.517 1.00 0.00 O ATOM 1383 CB HIS A 89 3.393 -3.936 12.934 1.00 0.00 C ATOM 1384 CG HIS A 89 4.179 -4.473 14.106 1.00 0.00 C ATOM 1385 ND1 HIS A 89 5.401 -5.076 14.159 1.00 0.00 N flip ATOM 1386 CD2 HIS A 89 3.714 -4.417 15.409 1.00 0.00 C flip ATOM 1387 CE1 HIS A 89 5.669 -5.371 15.424 1.00 0.00 C flip ATOM 1388 NE2 HIS A 89 4.625 -4.965 16.201 1.00 0.00 N flip ATOM 0 H HIS A 89 5.629 -2.874 12.968 1.00 0.00 H new ATOM 0 HA HIS A 89 4.431 -4.726 11.274 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.942 -2.985 13.217 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.576 -4.623 12.712 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.770 -3.998 15.726 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.567 -5.854 15.780 1.00 0.00 H new ATOM 0 HE2 HIS A 89 4.557 -5.065 17.214 1.00 0.00 H new ATOM 1396 N SER A 90 3.187 -1.697 10.898 1.00 0.00 N ATOM 1397 CA SER A 90 2.478 -0.838 9.966 1.00 0.00 C ATOM 1398 C SER A 90 2.992 -1.071 8.544 1.00 0.00 C ATOM 1399 O SER A 90 2.220 -1.405 7.647 1.00 0.00 O ATOM 1400 CB SER A 90 2.629 0.636 10.350 1.00 0.00 C ATOM 1401 OG SER A 90 2.032 0.922 11.612 1.00 0.00 O ATOM 0 H SER A 90 3.430 -1.255 11.785 1.00 0.00 H new ATOM 0 HA SER A 90 1.418 -1.090 10.008 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.687 0.896 10.382 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.171 1.260 9.582 1.00 0.00 H new ATOM 0 HG SER A 90 2.151 1.872 11.822 1.00 0.00 H new ATOM 1407 N THR A 91 4.294 -0.886 8.382 1.00 0.00 N ATOM 1408 CA THR A 91 4.921 -1.072 7.085 1.00 0.00 C ATOM 1409 C THR A 91 4.419 -2.360 6.430 1.00 0.00 C ATOM 1410 O THR A 91 3.830 -2.323 5.350 1.00 0.00 O ATOM 1411 CB THR A 91 6.438 -1.043 7.284 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.770 0.341 7.220 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.195 -1.662 6.108 1.00 0.00 C ATOM 0 H THR A 91 4.932 -0.609 9.128 1.00 0.00 H new ATOM 0 HA THR A 91 4.654 -0.269 6.398 1.00 0.00 H new ATOM 0 HB THR A 91 6.694 -1.575 8.200 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.657 0.662 6.301 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.267 -1.616 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.892 -2.702 5.988 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.966 -1.110 5.197 1.00 0.00 H new ATOM 1421 N GLN A 92 4.670 -3.469 7.110 1.00 0.00 N ATOM 1422 CA GLN A 92 4.251 -4.766 6.608 1.00 0.00 C ATOM 1423 C GLN A 92 2.781 -4.722 6.186 1.00 0.00 C ATOM 1424 O GLN A 92 2.442 -5.092 5.063 1.00 0.00 O ATOM 1425 CB GLN A 92 4.490 -5.861 7.650 1.00 0.00 C ATOM 1426 CG GLN A 92 5.954 -6.305 7.653 1.00 0.00 C ATOM 1427 CD GLN A 92 6.259 -7.198 6.448 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.995 -8.389 6.443 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.827 -6.558 5.430 1.00 0.00 N ATOM 0 H GLN A 92 5.159 -3.496 8.005 1.00 0.00 H new ATOM 0 HA GLN A 92 4.853 -5.007 5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.216 -5.493 8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.847 -6.716 7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.603 -5.430 7.635 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.172 -6.845 8.575 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.021 -5.559 5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.069 -7.066 4.579 1.00 0.00 H new ATOM 1438 N ARG A 93 1.947 -4.266 7.109 1.00 0.00 N ATOM 1439 CA ARG A 93 0.521 -4.169 6.847 1.00 0.00 C ATOM 1440 C ARG A 93 0.268 -3.327 5.594 1.00 0.00 C ATOM 1441 O ARG A 93 -0.461 -3.747 4.697 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.216 -3.542 8.032 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.325 -4.530 9.195 1.00 0.00 C ATOM 1444 CD ARG A 93 0.660 -4.175 10.310 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.027 -4.206 11.621 1.00 0.00 N ATOM 1446 CZ ARG A 93 -0.411 -5.330 12.242 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -0.178 -6.522 11.675 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.029 -5.262 13.429 1.00 0.00 N ATOM 0 H ARG A 93 2.232 -3.960 8.039 1.00 0.00 H new ATOM 0 HA ARG A 93 0.143 -5.180 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.311 -2.646 8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.213 -3.230 7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.342 -4.524 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.127 -5.541 8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.492 -4.879 10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.080 -3.185 10.134 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.220 -3.316 12.081 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.292 -6.574 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.470 -7.377 12.148 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.207 -4.355 13.860 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.321 -6.117 13.902 1.00 0.00 H new ATOM 1462 N TRP A 94 0.884 -2.155 5.574 1.00 0.00 N ATOM 1463 CA TRP A 94 0.734 -1.250 4.447 1.00 0.00 C ATOM 1464 C TRP A 94 1.190 -1.987 3.186 1.00 0.00 C ATOM 1465 O TRP A 94 0.497 -1.972 2.169 1.00 0.00 O ATOM 1466 CB TRP A 94 1.497 0.054 4.685 1.00 0.00 C ATOM 1467 CG TRP A 94 0.750 1.061 5.561 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.950 1.337 6.857 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.333 1.922 5.149 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.079 2.307 7.309 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.726 2.674 6.237 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -0.961 2.059 3.898 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.760 3.617 6.184 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -1.992 3.005 3.862 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.399 3.771 4.948 1.00 0.00 C ATOM 0 H TRP A 94 1.488 -1.811 6.320 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.309 -0.958 4.323 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.455 -0.177 5.151 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.715 0.517 3.722 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.699 0.860 7.471 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.034 2.685 8.255 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.671 1.480 3.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.049 4.194 7.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.508 3.150 2.924 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.205 4.482 4.839 1.00 0.00 H new ATOM 1486 N ILE A 95 2.352 -2.615 3.293 1.00 0.00 N ATOM 1487 CA ILE A 95 2.908 -3.356 2.174 1.00 0.00 C ATOM 1488 C ILE A 95 1.861 -4.341 1.649 1.00 0.00 C ATOM 1489 O ILE A 95 1.315 -4.151 0.563 1.00 0.00 O ATOM 1490 CB ILE A 95 4.228 -4.018 2.572 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.344 -2.979 2.704 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.598 -5.136 1.596 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.545 -3.556 3.457 1.00 0.00 C ATOM 0 H ILE A 95 2.924 -2.626 4.138 1.00 0.00 H new ATOM 0 HA ILE A 95 3.151 -2.680 1.354 1.00 0.00 H new ATOM 0 HB ILE A 95 4.098 -4.477 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.656 -2.648 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.968 -2.101 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.541 -5.589 1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.814 -5.893 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.703 -4.723 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.323 -2.797 3.537 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.235 -3.864 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.934 -4.419 2.916 1.00 0.00 H new ATOM 1505 N ASP A 96 1.612 -5.371 2.444 1.00 0.00 N ATOM 1506 CA ASP A 96 0.640 -6.385 2.074 1.00 0.00 C ATOM 1507 C ASP A 96 -0.671 -5.707 1.673 1.00 0.00 C ATOM 1508 O ASP A 96 -1.362 -6.169 0.766 1.00 0.00 O ATOM 1509 CB ASP A 96 0.348 -7.323 3.247 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.112 -8.728 2.853 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.147 -9.104 1.689 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.712 -9.394 3.724 1.00 0.00 O ATOM 0 H ASP A 96 2.067 -5.525 3.344 1.00 0.00 H new ATOM 0 HA ASP A 96 1.053 -6.961 1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.248 -7.409 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.419 -6.868 3.874 1.00 0.00 H new ATOM 1517 N ALA A 97 -0.975 -4.621 2.369 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.192 -3.874 2.097 1.00 0.00 C ATOM 1519 C ALA A 97 -2.137 -3.320 0.672 1.00 0.00 C ATOM 1520 O ALA A 97 -3.155 -3.265 -0.016 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.359 -2.772 3.145 1.00 0.00 C ATOM 0 H ALA A 97 -0.400 -4.241 3.121 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.065 -4.523 2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.271 -2.212 2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.422 -3.220 4.137 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.503 -2.099 3.104 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.938 -2.923 0.271 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.737 -2.375 -1.059 1.00 0.00 C ATOM 1529 C PHE A 98 -0.530 -3.490 -2.086 1.00 0.00 C ATOM 1530 O PHE A 98 -0.947 -3.365 -3.236 1.00 0.00 O ATOM 1531 CB PHE A 98 0.524 -1.510 -1.001 1.00 0.00 C ATOM 1532 CG PHE A 98 0.259 -0.049 -0.632 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.472 0.741 -1.464 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.756 0.461 0.527 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.717 2.097 -1.121 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.511 1.817 0.869 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.220 2.606 0.038 1.00 0.00 C ATOM 0 H PHE A 98 -0.096 -2.970 0.844 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.612 -1.799 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.213 -1.939 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.021 -1.545 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.866 0.337 -2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.337 -0.166 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.298 2.724 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.905 2.222 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.406 3.638 0.298 1.00 0.00 H new ATOM 1547 N GLN A 99 0.115 -4.555 -1.633 1.00 0.00 N ATOM 1548 CA GLN A 99 0.384 -5.691 -2.498 1.00 0.00 C ATOM 1549 C GLN A 99 -0.922 -6.399 -2.864 1.00 0.00 C ATOM 1550 O GLN A 99 -1.112 -6.806 -4.009 1.00 0.00 O ATOM 1551 CB GLN A 99 1.367 -6.661 -1.840 1.00 0.00 C ATOM 1552 CG GLN A 99 2.793 -6.420 -2.342 1.00 0.00 C ATOM 1553 CD GLN A 99 2.956 -6.906 -3.783 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.274 -7.807 -4.243 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.897 -6.262 -4.468 1.00 0.00 N ATOM 0 H GLN A 99 0.459 -4.655 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 99 0.846 -5.324 -3.415 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.333 -6.540 -0.757 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.070 -7.687 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.028 -5.357 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.502 -6.939 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.432 -5.517 -4.022 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.083 -6.514 -5.439 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.789 -6.525 -1.870 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.072 -7.177 -2.073 1.00 0.00 C ATOM 1566 C GLU A 100 -3.954 -6.336 -2.998 1.00 0.00 C ATOM 1567 O GLU A 100 -4.819 -6.870 -3.691 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.771 -7.440 -0.738 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.183 -8.671 -0.044 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.290 -9.549 0.543 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.127 -10.019 -0.258 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.273 -9.731 1.780 1.00 0.00 O ATOM 0 H GLU A 100 -1.628 -6.187 -0.921 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.896 -8.142 -2.549 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.667 -6.569 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.838 -7.587 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.595 -9.249 -0.757 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.504 -8.357 0.749 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.705 -5.035 -2.978 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.466 -4.115 -3.807 1.00 0.00 C ATOM 1581 C GLY A 101 -4.192 -4.359 -5.292 1.00 0.00 C ATOM 1582 O GLY A 101 -5.122 -4.525 -6.079 1.00 0.00 O ATOM 0 H GLY A 101 -2.987 -4.596 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.531 -4.234 -3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.206 -3.088 -3.550 1.00 0.00 H new ATOM 1586 N THR A 102 -2.911 -4.373 -5.630 1.00 0.00 N ATOM 1587 CA THR A 102 -2.503 -4.594 -7.007 1.00 0.00 C ATOM 1588 C THR A 102 -2.960 -5.974 -7.484 1.00 0.00 C ATOM 1589 O THR A 102 -3.475 -6.112 -8.592 1.00 0.00 O ATOM 1590 CB THR A 102 -0.988 -4.395 -7.088 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.460 -5.375 -6.200 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.539 -3.063 -6.483 1.00 0.00 C ATOM 0 H THR A 102 -2.142 -4.235 -4.974 1.00 0.00 H new ATOM 0 HA THR A 102 -2.977 -3.879 -7.680 1.00 0.00 H new ATOM 0 HB THR A 102 -0.671 -4.446 -8.130 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.518 -5.317 -6.193 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.544 -2.972 -6.566 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.014 -2.241 -7.019 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.826 -3.025 -5.432 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.757 -6.960 -6.623 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.142 -8.324 -6.942 1.00 0.00 C ATOM 1602 C VAL A 103 -4.641 -8.499 -6.689 1.00 0.00 C ATOM 1603 O VAL A 103 -5.379 -7.518 -6.613 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.283 -9.310 -6.148 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.793 -9.047 -6.377 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.626 -9.260 -4.658 1.00 0.00 C ATOM 0 H VAL A 103 -2.331 -6.841 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.963 -8.534 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.505 -10.314 -6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.205 -9.762 -5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.563 -9.158 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.549 -8.034 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.001 -9.970 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.446 -8.255 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.675 -9.519 -4.517 1.00 0.00 H new