USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=22 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 174:sc= -0.144 (180deg=-0.201) USER MOD Single : A 11 SER OG : rot 180:sc= -0.18 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 135:sc= 0.26 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+ 170:sc= 0 (180deg=-0.0207) 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 HE2:sc= -5.7! C(o=-5.7!,f=-5.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.853 K(o=-0.85,f=-2.4) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0914) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -61:sc= 0.373 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 : amide:sc= -1.82! X(o=-1.8!,f=-1.4) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 23:sc= 0.467 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -4.11! C(o=-4.1!,f=-11!) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -3.33! C(o=-4.4!,f=-3.3!) USER MOD Single : A 76 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.237) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.092) USER MOD Single : A 90 SER OG : rot 61:sc= 0.53 USER MOD Single : A 91 THR OG1 : rot 96:sc= -5.05! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= 0.631 K(o=0.63,f=-1.6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0205 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.368 0.250 5.509 1.00 0.00 N ATOM 92 CA MET A 10 -6.041 0.648 5.947 1.00 0.00 C ATOM 93 C MET A 10 -5.880 2.168 5.898 1.00 0.00 C ATOM 94 O MET A 10 -6.000 2.775 4.835 1.00 0.00 O ATOM 95 CB MET A 10 -4.990 -0.007 5.049 1.00 0.00 C ATOM 96 CG MET A 10 -3.606 0.043 5.699 1.00 0.00 C ATOM 97 SD MET A 10 -3.434 -1.291 6.872 1.00 0.00 S ATOM 98 CE MET A 10 -2.257 -0.563 7.999 1.00 0.00 C ATOM 0 HA MET A 10 -5.906 0.321 6.978 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.267 -1.043 4.855 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.962 0.502 4.085 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.833 -0.032 4.934 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.465 1.000 6.201 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.117 -1.223 8.855 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.304 -0.422 7.489 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.631 0.402 8.342 1.00 0.00 H new ATOM 108 N SER A 11 -5.612 2.741 7.063 1.00 0.00 N ATOM 109 CA SER A 11 -5.433 4.179 7.166 1.00 0.00 C ATOM 110 C SER A 11 -4.371 4.500 8.220 1.00 0.00 C ATOM 111 O SER A 11 -4.141 3.711 9.135 1.00 0.00 O ATOM 112 CB SER A 11 -6.751 4.874 7.512 1.00 0.00 C ATOM 113 OG SER A 11 -7.102 4.702 8.883 1.00 0.00 O ATOM 0 H SER A 11 -5.515 2.235 7.943 1.00 0.00 H new ATOM 0 HA SER A 11 -5.099 4.553 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.669 5.938 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.547 4.477 6.882 1.00 0.00 H new ATOM 0 HG SER A 11 -7.948 5.162 9.064 1.00 0.00 H new ATOM 119 N GLY A 12 -3.752 5.660 8.055 1.00 0.00 N ATOM 120 CA GLY A 12 -2.719 6.095 8.981 1.00 0.00 C ATOM 121 C GLY A 12 -1.717 7.020 8.288 1.00 0.00 C ATOM 122 O GLY A 12 -1.298 6.755 7.162 1.00 0.00 O ATOM 0 H GLY A 12 -3.946 6.312 7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.176 6.614 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.199 5.227 9.385 1.00 0.00 H new ATOM 126 N TYR A 13 -1.360 8.085 8.990 1.00 0.00 N ATOM 127 CA TYR A 13 -0.415 9.051 8.457 1.00 0.00 C ATOM 128 C TYR A 13 0.852 8.357 7.952 1.00 0.00 C ATOM 129 O TYR A 13 1.401 7.489 8.629 1.00 0.00 O ATOM 130 CB TYR A 13 -0.047 9.970 9.624 1.00 0.00 C ATOM 131 CG TYR A 13 -1.145 10.967 10.001 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.410 12.044 9.180 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.870 10.789 11.161 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.443 12.982 9.534 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.903 11.727 11.516 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.139 12.777 10.685 1.00 0.00 C ATOM 137 OH TYR A 13 -4.115 13.663 11.020 1.00 0.00 O ATOM 0 H TYR A 13 -1.709 8.300 9.924 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.853 9.594 7.619 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.188 9.358 10.495 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.858 10.521 9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.842 12.183 8.272 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.663 9.946 11.803 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.661 13.829 8.900 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.477 11.600 12.422 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.528 13.390 11.866 1.00 0.00 H new ATOM 147 N LEU A 14 1.278 8.764 6.766 1.00 0.00 N ATOM 148 CA LEU A 14 2.470 8.192 6.162 1.00 0.00 C ATOM 149 C LEU A 14 3.322 9.314 5.565 1.00 0.00 C ATOM 150 O LEU A 14 2.809 10.384 5.243 1.00 0.00 O ATOM 151 CB LEU A 14 2.090 7.105 5.154 1.00 0.00 C ATOM 152 CG LEU A 14 1.560 5.798 5.745 1.00 0.00 C ATOM 153 CD1 LEU A 14 1.070 4.856 4.643 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.610 5.135 6.640 1.00 0.00 C ATOM 0 H LEU A 14 0.819 9.483 6.207 1.00 0.00 H new ATOM 0 HA LEU A 14 3.080 7.696 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.334 7.510 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.967 6.877 4.548 1.00 0.00 H new ATOM 0 HG LEU A 14 0.701 6.032 6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.698 3.934 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.268 5.337 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.895 4.625 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.208 4.208 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.502 4.917 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.869 5.808 7.457 1.00 0.00 H new ATOM 166 N TYR A 15 4.610 9.029 5.435 1.00 0.00 N ATOM 167 CA TYR A 15 5.539 10.001 4.883 1.00 0.00 C ATOM 168 C TYR A 15 5.811 9.720 3.404 1.00 0.00 C ATOM 169 O TYR A 15 6.389 8.690 3.059 1.00 0.00 O ATOM 170 CB TYR A 15 6.841 9.834 5.669 1.00 0.00 C ATOM 171 CG TYR A 15 6.697 10.082 7.172 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.041 11.209 7.625 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.223 9.180 8.074 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.905 11.443 9.039 1.00 0.00 C ATOM 175 CE2 TYR A 15 7.087 9.414 9.488 1.00 0.00 C ATOM 176 CZ TYR A 15 6.435 10.534 9.901 1.00 0.00 C ATOM 177 OH TYR A 15 6.307 10.755 11.237 1.00 0.00 O ATOM 0 H TYR A 15 5.032 8.140 5.702 1.00 0.00 H new ATOM 0 HA TYR A 15 5.131 11.009 4.960 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.221 8.824 5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.586 10.521 5.268 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.630 11.915 6.919 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.737 8.299 7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.394 12.320 9.407 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.494 8.716 10.205 1.00 0.00 H new ATOM 0 HH TYR A 15 6.732 10.024 11.732 1.00 0.00 H new ATOM 187 N ARG A 16 5.380 10.654 2.568 1.00 0.00 N ATOM 188 CA ARG A 16 5.570 10.520 1.134 1.00 0.00 C ATOM 189 C ARG A 16 6.873 11.197 0.705 1.00 0.00 C ATOM 190 O ARG A 16 7.195 12.287 1.177 1.00 0.00 O ATOM 191 CB ARG A 16 4.403 11.141 0.363 1.00 0.00 C ATOM 192 CG ARG A 16 4.501 10.825 -1.130 1.00 0.00 C ATOM 193 CD ARG A 16 3.119 10.837 -1.786 1.00 0.00 C ATOM 194 NE ARG A 16 2.499 12.172 -1.635 1.00 0.00 N ATOM 195 CZ ARG A 16 2.883 13.260 -2.317 1.00 0.00 C ATOM 196 NH1 ARG A 16 3.887 13.177 -3.200 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.263 14.431 -2.115 1.00 0.00 N ATOM 0 H ARG A 16 4.900 11.506 2.857 1.00 0.00 H new ATOM 0 HA ARG A 16 5.617 9.455 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.460 10.762 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.399 12.221 0.510 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.145 11.556 -1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.965 9.848 -1.269 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.207 10.585 -2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.484 10.078 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 16 1.731 12.270 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.359 12.286 -3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.179 14.005 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.499 14.494 -1.442 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.555 15.259 -2.634 1.00 0.00 H new ATOM 211 N SER A 17 7.588 10.524 -0.185 1.00 0.00 N ATOM 212 CA SER A 17 8.849 11.047 -0.682 1.00 0.00 C ATOM 213 C SER A 17 9.024 10.676 -2.156 1.00 0.00 C ATOM 214 O SER A 17 8.380 9.750 -2.648 1.00 0.00 O ATOM 215 CB SER A 17 10.026 10.522 0.141 1.00 0.00 C ATOM 216 OG SER A 17 10.984 9.846 -0.669 1.00 0.00 O ATOM 0 H SER A 17 7.318 9.621 -0.575 1.00 0.00 H new ATOM 0 HA SER A 17 8.830 12.133 -0.587 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.508 11.353 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.657 9.843 0.909 1.00 0.00 H new ATOM 0 HG SER A 17 11.886 10.141 -0.424 1.00 0.00 H new ATOM 222 N LYS A 18 9.898 11.418 -2.820 1.00 0.00 N ATOM 223 CA LYS A 18 10.166 11.179 -4.228 1.00 0.00 C ATOM 224 C LYS A 18 11.611 10.702 -4.394 1.00 0.00 C ATOM 225 O LYS A 18 12.305 11.124 -5.318 1.00 0.00 O ATOM 226 CB LYS A 18 9.829 12.420 -5.057 1.00 0.00 C ATOM 227 CG LYS A 18 8.335 12.471 -5.385 1.00 0.00 C ATOM 228 CD LYS A 18 8.082 12.093 -6.846 1.00 0.00 C ATOM 229 CE LYS A 18 8.071 13.335 -7.739 1.00 0.00 C ATOM 230 NZ LYS A 18 7.529 13.007 -9.077 1.00 0.00 N ATOM 0 H LYS A 18 10.430 12.185 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 18 9.522 10.386 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.115 13.317 -4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.408 12.413 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.792 11.790 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.951 13.473 -5.193 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.854 11.403 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.129 11.571 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.468 14.117 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.083 13.729 -7.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.529 13.861 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.121 12.277 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.556 12.652 -8.980 1.00 0.00 H new ATOM 244 N GLY A 19 12.021 9.830 -3.485 1.00 0.00 N ATOM 245 CA GLY A 19 13.370 9.292 -3.519 1.00 0.00 C ATOM 246 C GLY A 19 13.995 9.290 -2.122 1.00 0.00 C ATOM 247 O GLY A 19 13.330 9.618 -1.141 1.00 0.00 O ATOM 0 H GLY A 19 11.442 9.483 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.350 8.276 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.985 9.885 -4.196 1.00 0.00 H new ATOM 251 N SER A 20 15.265 8.917 -2.078 1.00 0.00 N ATOM 252 CA SER A 20 15.987 8.868 -0.818 1.00 0.00 C ATOM 253 C SER A 20 16.340 10.285 -0.362 1.00 0.00 C ATOM 254 O SER A 20 15.979 10.694 0.741 1.00 0.00 O ATOM 255 CB SER A 20 17.255 8.020 -0.942 1.00 0.00 C ATOM 256 OG SER A 20 17.007 6.646 -0.656 1.00 0.00 O ATOM 0 H SER A 20 15.813 8.646 -2.894 1.00 0.00 H new ATOM 0 HA SER A 20 15.342 8.403 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.657 8.114 -1.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.015 8.401 -0.260 1.00 0.00 H new ATOM 0 HG SER A 20 17.840 6.137 -0.747 1.00 0.00 H new ATOM 262 N LYS A 21 17.041 10.996 -1.233 1.00 0.00 N ATOM 263 CA LYS A 21 17.447 12.359 -0.933 1.00 0.00 C ATOM 264 C LYS A 21 16.267 13.302 -1.177 1.00 0.00 C ATOM 265 O LYS A 21 16.409 14.314 -1.861 1.00 0.00 O ATOM 266 CB LYS A 21 18.704 12.729 -1.722 1.00 0.00 C ATOM 267 CG LYS A 21 19.932 12.001 -1.171 1.00 0.00 C ATOM 268 CD LYS A 21 21.124 12.953 -1.046 1.00 0.00 C ATOM 269 CE LYS A 21 21.379 13.324 0.416 1.00 0.00 C ATOM 270 NZ LYS A 21 21.996 12.189 1.138 1.00 0.00 N ATOM 0 H LYS A 21 17.338 10.654 -2.147 1.00 0.00 H new ATOM 0 HA LYS A 21 17.720 12.454 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.566 12.473 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.864 13.806 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.699 11.574 -0.195 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.192 11.171 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.014 12.484 -1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 21 20.935 13.856 -1.626 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.033 14.194 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.441 13.601 0.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.317 12.507 2.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 21.296 11.428 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 22.809 11.833 0.596 1.00 0.00 H new ATOM 284 N LYS A 22 15.130 12.937 -0.603 1.00 0.00 N ATOM 285 CA LYS A 22 13.927 13.738 -0.750 1.00 0.00 C ATOM 286 C LYS A 22 13.304 13.972 0.628 1.00 0.00 C ATOM 287 O LYS A 22 13.526 13.193 1.554 1.00 0.00 O ATOM 288 CB LYS A 22 12.972 13.092 -1.755 1.00 0.00 C ATOM 289 CG LYS A 22 13.349 13.467 -3.189 1.00 0.00 C ATOM 290 CD LYS A 22 12.618 14.735 -3.635 1.00 0.00 C ATOM 291 CE LYS A 22 12.716 14.920 -5.150 1.00 0.00 C ATOM 292 NZ LYS A 22 11.918 16.089 -5.582 1.00 0.00 N ATOM 0 H LYS A 22 15.017 12.097 -0.035 1.00 0.00 H new ATOM 0 HA LYS A 22 14.170 14.718 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.996 12.008 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.951 13.411 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.426 13.621 -3.257 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.101 12.645 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.570 14.678 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.045 15.602 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.758 15.057 -5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.360 14.022 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.995 16.200 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.921 15.944 -5.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.276 16.946 -5.113 1.00 0.00 H new ATOM 306 N PRO A 23 12.517 15.077 0.723 1.00 0.00 N ATOM 307 CA PRO A 23 11.861 15.423 1.972 1.00 0.00 C ATOM 308 C PRO A 23 10.665 14.506 2.236 1.00 0.00 C ATOM 309 O PRO A 23 10.061 13.983 1.301 1.00 0.00 O ATOM 310 CB PRO A 23 11.467 16.883 1.819 1.00 0.00 C ATOM 311 CG PRO A 23 11.499 17.168 0.326 1.00 0.00 C ATOM 312 CD PRO A 23 12.232 16.022 -0.352 1.00 0.00 C ATOM 0 HA PRO A 23 12.509 15.288 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.474 17.065 2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.158 17.533 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.486 17.259 -0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.004 18.114 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.620 15.565 -1.129 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.149 16.366 -0.830 1.00 0.00 H new ATOM 320 N TRP A 24 10.359 14.339 3.514 1.00 0.00 N ATOM 321 CA TRP A 24 9.246 13.494 3.913 1.00 0.00 C ATOM 322 C TRP A 24 8.008 14.381 4.062 1.00 0.00 C ATOM 323 O TRP A 24 8.065 15.429 4.703 1.00 0.00 O ATOM 324 CB TRP A 24 9.579 12.713 5.186 1.00 0.00 C ATOM 325 CG TRP A 24 10.678 11.665 5.004 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.932 11.693 5.476 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.570 10.424 4.275 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.637 10.566 5.107 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.783 9.769 4.353 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.484 9.872 3.572 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.025 8.529 3.751 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.742 8.632 2.977 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.957 7.960 3.046 1.00 0.00 C ATOM 0 H TRP A 24 10.862 14.774 4.287 1.00 0.00 H new ATOM 0 HA TRP A 24 9.044 12.739 3.153 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.886 13.415 5.961 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.676 12.219 5.543 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.340 12.497 6.071 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.607 10.356 5.344 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.527 10.366 3.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.984 8.037 3.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.940 8.164 2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.077 7.004 2.558 1.00 0.00 H new ATOM 344 N LYS A 25 6.919 13.928 3.458 1.00 0.00 N ATOM 345 CA LYS A 25 5.670 14.668 3.516 1.00 0.00 C ATOM 346 C LYS A 25 4.663 13.895 4.370 1.00 0.00 C ATOM 347 O LYS A 25 4.234 12.804 3.996 1.00 0.00 O ATOM 348 CB LYS A 25 5.167 14.980 2.105 1.00 0.00 C ATOM 349 CG LYS A 25 5.309 16.471 1.790 1.00 0.00 C ATOM 350 CD LYS A 25 4.183 16.947 0.870 1.00 0.00 C ATOM 351 CE LYS A 25 4.683 18.022 -0.097 1.00 0.00 C ATOM 352 NZ LYS A 25 4.611 17.537 -1.493 1.00 0.00 N ATOM 0 H LYS A 25 6.876 13.058 2.927 1.00 0.00 H new ATOM 0 HA LYS A 25 5.822 15.634 3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.729 14.396 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.122 14.683 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.294 17.045 2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.273 16.656 1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.787 16.102 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.363 17.344 1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.083 18.925 0.012 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.710 18.291 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.954 18.279 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.203 16.688 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.626 17.303 -1.729 1.00 0.00 H new ATOM 366 N HIS A 26 4.316 14.490 5.502 1.00 0.00 N ATOM 367 CA HIS A 26 3.368 13.871 6.413 1.00 0.00 C ATOM 368 C HIS A 26 1.943 14.097 5.902 1.00 0.00 C ATOM 369 O HIS A 26 1.420 15.207 5.983 1.00 0.00 O ATOM 370 CB HIS A 26 3.574 14.380 7.840 1.00 0.00 C ATOM 371 CG HIS A 26 3.278 13.353 8.908 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.242 13.662 10.256 1.00 0.00 N ATOM 373 CD2 HIS A 26 3.004 12.021 8.811 1.00 0.00 C ATOM 374 CE1 HIS A 26 2.960 12.558 10.931 1.00 0.00 C ATOM 375 NE2 HIS A 26 2.813 11.541 10.033 1.00 0.00 N ATOM 0 H HIS A 26 4.674 15.394 5.809 1.00 0.00 H new ATOM 0 HA HIS A 26 3.539 12.795 6.446 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.605 14.716 7.950 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.937 15.250 8.000 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.405 14.584 10.661 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.951 11.453 7.894 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.863 12.477 12.004 1.00 0.00 H new ATOM 383 N LEU A 27 1.356 13.026 5.389 1.00 0.00 N ATOM 384 CA LEU A 27 0.002 13.094 4.865 1.00 0.00 C ATOM 385 C LEU A 27 -0.774 11.851 5.307 1.00 0.00 C ATOM 386 O LEU A 27 -0.189 10.904 5.831 1.00 0.00 O ATOM 387 CB LEU A 27 0.023 13.298 3.349 1.00 0.00 C ATOM 388 CG LEU A 27 0.462 14.682 2.865 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.493 14.567 1.741 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.744 15.527 2.452 1.00 0.00 C ATOM 0 H LEU A 27 1.793 12.106 5.325 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.521 13.959 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.688 12.554 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.976 13.099 2.962 1.00 0.00 H new ATOM 0 HG LEU A 27 0.946 15.197 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.789 15.564 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.369 14.030 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.057 14.025 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.404 16.505 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.278 15.028 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.411 15.651 3.305 1.00 0.00 H new ATOM 402 N TRP A 28 -2.078 11.895 5.080 1.00 0.00 N ATOM 403 CA TRP A 28 -2.940 10.785 5.448 1.00 0.00 C ATOM 404 C TRP A 28 -3.317 10.034 4.169 1.00 0.00 C ATOM 405 O TRP A 28 -3.525 10.648 3.124 1.00 0.00 O ATOM 406 CB TRP A 28 -4.158 11.273 6.235 1.00 0.00 C ATOM 407 CG TRP A 28 -5.071 10.149 6.729 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.118 9.600 6.099 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.975 9.455 7.991 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.702 8.607 6.859 1.00 0.00 N ATOM 411 CE2 TRP A 28 -5.985 8.517 8.046 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.065 9.616 9.051 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.181 7.665 9.140 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.275 8.757 10.137 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.287 7.807 10.208 1.00 0.00 C ATOM 0 H TRP A 28 -2.559 12.683 4.645 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.419 10.098 6.115 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.815 11.852 7.092 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.738 11.948 5.606 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.462 9.897 5.119 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.511 8.043 6.598 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.268 10.344 9.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.979 6.937 9.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.603 8.839 10.979 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.383 7.181 11.083 1.00 0.00 H new ATOM 426 N PHE A 29 -3.393 8.717 4.294 1.00 0.00 N ATOM 427 CA PHE A 29 -3.741 7.877 3.161 1.00 0.00 C ATOM 428 C PHE A 29 -4.719 6.776 3.576 1.00 0.00 C ATOM 429 O PHE A 29 -4.743 6.365 4.735 1.00 0.00 O ATOM 430 CB PHE A 29 -2.444 7.231 2.668 1.00 0.00 C ATOM 431 CG PHE A 29 -1.447 8.222 2.063 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.550 8.576 0.754 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.458 8.748 2.834 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.624 9.495 0.192 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.467 9.667 2.273 1.00 0.00 C ATOM 436 CZ PHE A 29 0.364 10.021 0.964 1.00 0.00 C ATOM 0 H PHE A 29 -3.219 8.211 5.163 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.217 8.477 2.385 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.967 6.715 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.687 6.475 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.336 8.158 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.376 8.466 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.705 9.776 -0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.252 10.085 2.885 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.068 10.721 0.537 1.00 0.00 H new ATOM 446 N VAL A 30 -5.502 6.328 2.605 1.00 0.00 N ATOM 447 CA VAL A 30 -6.480 5.283 2.854 1.00 0.00 C ATOM 448 C VAL A 30 -6.546 4.353 1.641 1.00 0.00 C ATOM 449 O VAL A 30 -6.009 4.670 0.581 1.00 0.00 O ATOM 450 CB VAL A 30 -7.833 5.905 3.206 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.859 4.824 3.553 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.693 6.914 4.346 1.00 0.00 C ATOM 0 H VAL A 30 -5.479 6.670 1.644 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.183 4.678 3.711 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.194 6.441 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.812 5.292 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.991 4.160 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.506 4.248 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.669 7.341 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.299 6.412 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.011 7.709 4.046 1.00 0.00 H new ATOM 462 N ILE A 31 -7.210 3.223 1.837 1.00 0.00 N ATOM 463 CA ILE A 31 -7.353 2.245 0.773 1.00 0.00 C ATOM 464 C ILE A 31 -8.825 1.846 0.648 1.00 0.00 C ATOM 465 O ILE A 31 -9.270 0.892 1.285 1.00 0.00 O ATOM 466 CB ILE A 31 -6.412 1.060 1.003 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.957 1.459 0.749 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.832 -0.145 0.159 1.00 0.00 C ATOM 469 CD1 ILE A 31 -4.012 0.286 1.018 1.00 0.00 C ATOM 0 H ILE A 31 -7.655 2.963 2.717 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.056 2.676 -0.183 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.486 0.762 2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.843 1.794 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.690 2.300 1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.147 -0.973 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.844 -0.445 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.804 0.123 -0.897 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.984 0.596 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.111 -0.031 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.266 -0.545 0.360 1.00 0.00 H new ATOM 481 N LYS A 32 -9.541 2.595 -0.178 1.00 0.00 N ATOM 482 CA LYS A 32 -10.953 2.331 -0.394 1.00 0.00 C ATOM 483 C LYS A 32 -11.164 1.859 -1.834 1.00 0.00 C ATOM 484 O LYS A 32 -10.702 2.501 -2.776 1.00 0.00 O ATOM 485 CB LYS A 32 -11.790 3.556 -0.020 1.00 0.00 C ATOM 486 CG LYS A 32 -13.173 3.495 -0.671 1.00 0.00 C ATOM 487 CD LYS A 32 -14.220 4.196 0.196 1.00 0.00 C ATOM 488 CE LYS A 32 -14.659 3.302 1.357 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.281 4.111 2.429 1.00 0.00 N ATOM 0 H LYS A 32 -9.169 3.385 -0.706 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.295 1.528 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.896 3.611 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.275 4.463 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.137 3.964 -1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.461 2.455 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.810 5.128 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.085 4.458 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.367 2.554 1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.799 2.762 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.573 3.488 3.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.594 4.808 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.114 4.606 2.051 1.00 0.00 H new ATOM 503 N ASN A 33 -11.863 0.741 -1.960 1.00 0.00 N ATOM 504 CA ASN A 33 -12.141 0.175 -3.269 1.00 0.00 C ATOM 505 C ASN A 33 -10.823 -0.214 -3.942 1.00 0.00 C ATOM 506 O ASN A 33 -10.744 -0.280 -5.168 1.00 0.00 O ATOM 507 CB ASN A 33 -12.849 1.190 -4.168 1.00 0.00 C ATOM 508 CG ASN A 33 -13.308 0.539 -5.475 1.00 0.00 C ATOM 509 OD1 ASN A 33 -13.316 -0.672 -5.626 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.688 1.407 -6.408 1.00 0.00 N ATOM 0 H ASN A 33 -12.245 0.211 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.783 -0.695 -3.131 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.709 1.608 -3.644 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.176 2.019 -4.387 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.011 1.071 -7.315 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.657 2.408 -6.216 1.00 0.00 H new ATOM 517 N LYS A 34 -9.821 -0.462 -3.111 1.00 0.00 N ATOM 518 CA LYS A 34 -8.511 -0.843 -3.610 1.00 0.00 C ATOM 519 C LYS A 34 -7.802 0.394 -4.163 1.00 0.00 C ATOM 520 O LYS A 34 -6.723 0.288 -4.744 1.00 0.00 O ATOM 521 CB LYS A 34 -8.634 -1.985 -4.621 1.00 0.00 C ATOM 522 CG LYS A 34 -7.890 -3.230 -4.135 1.00 0.00 C ATOM 523 CD LYS A 34 -8.851 -4.219 -3.471 1.00 0.00 C ATOM 524 CE LYS A 34 -8.137 -5.525 -3.118 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.020 -5.671 -1.650 1.00 0.00 N ATOM 0 H LYS A 34 -9.890 -0.406 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.893 -1.230 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.686 -2.224 -4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.231 -1.669 -5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.391 -3.711 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.114 -2.941 -3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.270 -3.774 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.685 -4.426 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.687 -6.370 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.146 -5.538 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.674 -6.625 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.352 -4.963 -1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.952 -5.527 -1.211 1.00 0.00 H new ATOM 539 N VAL A 35 -8.436 1.540 -3.963 1.00 0.00 N ATOM 540 CA VAL A 35 -7.879 2.797 -4.435 1.00 0.00 C ATOM 541 C VAL A 35 -7.165 3.499 -3.279 1.00 0.00 C ATOM 542 O VAL A 35 -7.717 3.621 -2.186 1.00 0.00 O ATOM 543 CB VAL A 35 -8.979 3.652 -5.067 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.421 4.992 -5.551 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.670 2.902 -6.207 1.00 0.00 C ATOM 0 H VAL A 35 -9.331 1.625 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.138 2.618 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.726 3.857 -4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.223 5.581 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.997 5.536 -4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.645 4.815 -6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.447 3.532 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.938 2.652 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.118 1.986 -5.821 1.00 0.00 H new ATOM 555 N LEU A 36 -5.948 3.942 -3.558 1.00 0.00 N ATOM 556 CA LEU A 36 -5.153 4.630 -2.555 1.00 0.00 C ATOM 557 C LEU A 36 -5.521 6.115 -2.548 1.00 0.00 C ATOM 558 O LEU A 36 -4.978 6.896 -3.327 1.00 0.00 O ATOM 559 CB LEU A 36 -3.663 4.366 -2.779 1.00 0.00 C ATOM 560 CG LEU A 36 -2.705 5.069 -1.815 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.671 6.576 -2.077 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.056 4.747 -0.361 1.00 0.00 C ATOM 0 H LEU A 36 -5.493 3.838 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.376 4.242 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.491 3.292 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.410 4.667 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.699 4.689 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.983 7.051 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.337 6.760 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.670 6.991 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.360 5.259 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.072 5.081 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.987 3.671 -0.200 1.00 0.00 H new ATOM 574 N TYR A 37 -6.442 6.459 -1.659 1.00 0.00 N ATOM 575 CA TYR A 37 -6.889 7.837 -1.541 1.00 0.00 C ATOM 576 C TYR A 37 -5.910 8.660 -0.702 1.00 0.00 C ATOM 577 O TYR A 37 -5.356 8.164 0.278 1.00 0.00 O ATOM 578 CB TYR A 37 -8.238 7.782 -0.821 1.00 0.00 C ATOM 579 CG TYR A 37 -9.392 7.294 -1.699 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.954 8.140 -2.633 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.872 6.008 -1.556 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.040 7.682 -3.460 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.958 5.549 -2.383 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.489 6.408 -3.294 1.00 0.00 C ATOM 585 OH TYR A 37 -12.515 5.975 -4.074 1.00 0.00 O ATOM 0 H TYR A 37 -6.890 5.808 -1.014 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.958 8.304 -2.523 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.150 7.125 0.044 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.478 8.776 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.579 9.147 -2.744 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.433 5.346 -0.824 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.488 8.334 -4.195 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.342 4.545 -2.282 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.729 5.046 -3.846 1.00 0.00 H new ATOM 595 N THR A 38 -5.727 9.905 -1.117 1.00 0.00 N ATOM 596 CA THR A 38 -4.825 10.803 -0.415 1.00 0.00 C ATOM 597 C THR A 38 -5.606 11.702 0.545 1.00 0.00 C ATOM 598 O THR A 38 -6.761 12.036 0.287 1.00 0.00 O ATOM 599 CB THR A 38 -4.025 11.582 -1.462 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.994 10.680 -1.853 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.272 12.769 -0.859 1.00 0.00 C ATOM 0 H THR A 38 -6.188 10.313 -1.930 1.00 0.00 H new ATOM 0 HA THR A 38 -4.122 10.250 0.208 1.00 0.00 H new ATOM 0 HB THR A 38 -4.698 11.937 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.443 10.456 -1.074 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.721 13.287 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.983 13.456 -0.401 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.574 12.411 -0.102 1.00 0.00 H new ATOM 609 N TYR A 39 -4.944 12.067 1.634 1.00 0.00 N ATOM 610 CA TYR A 39 -5.562 12.920 2.634 1.00 0.00 C ATOM 611 C TYR A 39 -4.511 13.758 3.365 1.00 0.00 C ATOM 612 O TYR A 39 -3.315 13.618 3.112 1.00 0.00 O ATOM 613 CB TYR A 39 -6.233 11.978 3.636 1.00 0.00 C ATOM 614 CG TYR A 39 -7.504 11.309 3.106 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.696 12.003 3.097 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.457 10.012 2.638 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.892 11.374 2.599 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.652 9.382 2.140 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.811 10.095 2.145 1.00 0.00 C ATOM 620 OH TYR A 39 -10.940 9.500 1.674 1.00 0.00 O ATOM 0 H TYR A 39 -3.986 11.787 1.845 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.269 13.607 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.521 11.205 3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.479 12.539 4.538 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.732 13.018 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.523 9.469 2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.832 11.906 2.586 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.629 8.367 1.771 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.732 8.588 1.383 1.00 0.00 H new ATOM 630 N ALA A 40 -4.995 14.609 4.257 1.00 0.00 N ATOM 631 CA ALA A 40 -4.112 15.469 5.027 1.00 0.00 C ATOM 632 C ALA A 40 -4.382 15.265 6.519 1.00 0.00 C ATOM 633 O ALA A 40 -3.449 15.149 7.312 1.00 0.00 O ATOM 634 CB ALA A 40 -4.309 16.923 4.592 1.00 0.00 C ATOM 0 H ALA A 40 -5.987 14.722 4.464 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.069 15.212 4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.647 17.568 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.077 17.020 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.344 17.217 4.765 1.00 0.00 H new ATOM 640 N ALA A 41 -5.663 15.226 6.857 1.00 0.00 N ATOM 641 CA ALA A 41 -6.066 15.038 8.240 1.00 0.00 C ATOM 642 C ALA A 41 -6.733 13.669 8.390 1.00 0.00 C ATOM 643 O ALA A 41 -7.310 13.148 7.437 1.00 0.00 O ATOM 644 CB ALA A 41 -6.987 16.184 8.663 1.00 0.00 C ATOM 0 H ALA A 41 -6.435 15.321 6.197 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.198 15.056 8.899 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.290 16.043 9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.457 17.132 8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.871 16.195 8.025 1.00 0.00 H new ATOM 688 N VAL A 45 -12.085 16.458 5.426 1.00 0.00 N ATOM 689 CA VAL A 45 -13.399 16.655 4.837 1.00 0.00 C ATOM 690 C VAL A 45 -13.523 15.793 3.579 1.00 0.00 C ATOM 691 O VAL A 45 -14.605 15.301 3.263 1.00 0.00 O ATOM 692 CB VAL A 45 -13.635 18.142 4.569 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.154 18.849 5.823 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.364 18.814 4.047 1.00 0.00 C ATOM 0 HA VAL A 45 -14.179 16.336 5.528 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.399 18.226 3.796 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.314 19.905 5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.096 18.396 6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.423 18.750 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.560 19.871 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.570 18.714 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.056 18.336 3.117 1.00 0.00 H new ATOM 704 N ALA A 46 -12.400 15.638 2.894 1.00 0.00 N ATOM 705 CA ALA A 46 -12.369 14.845 1.677 1.00 0.00 C ATOM 706 C ALA A 46 -10.923 14.456 1.363 1.00 0.00 C ATOM 707 O ALA A 46 -9.999 14.871 2.061 1.00 0.00 O ATOM 708 CB ALA A 46 -13.021 15.631 0.538 1.00 0.00 C ATOM 0 H ALA A 46 -11.504 16.048 3.159 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.938 13.924 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.998 15.036 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.055 15.857 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.475 16.561 0.379 1.00 0.00 H new ATOM 714 N ALA A 47 -10.772 13.662 0.312 1.00 0.00 N ATOM 715 CA ALA A 47 -9.454 13.212 -0.102 1.00 0.00 C ATOM 716 C ALA A 47 -8.829 14.261 -1.025 1.00 0.00 C ATOM 717 O ALA A 47 -9.513 14.835 -1.870 1.00 0.00 O ATOM 718 CB ALA A 47 -9.569 11.841 -0.771 1.00 0.00 C ATOM 0 H ALA A 47 -11.540 13.319 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.798 13.099 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.580 11.504 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.991 11.126 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.218 11.915 -1.644 1.00 0.00 H new ATOM 724 N LEU A 48 -7.536 14.478 -0.831 1.00 0.00 N ATOM 725 CA LEU A 48 -6.811 15.447 -1.635 1.00 0.00 C ATOM 726 C LEU A 48 -6.682 14.921 -3.066 1.00 0.00 C ATOM 727 O LEU A 48 -6.848 15.674 -4.025 1.00 0.00 O ATOM 728 CB LEU A 48 -5.470 15.788 -0.982 1.00 0.00 C ATOM 729 CG LEU A 48 -5.529 16.226 0.483 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.123 16.384 1.065 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.362 17.500 0.641 1.00 0.00 C ATOM 0 H LEU A 48 -6.972 13.999 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.362 16.386 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.821 14.915 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.999 16.583 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.027 15.443 1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.193 16.696 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.596 15.432 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.577 17.137 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.388 17.790 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.915 18.302 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.378 17.317 0.290 1.00 0.00 H new ATOM 743 N GLU A 49 -6.388 13.633 -3.165 1.00 0.00 N ATOM 744 CA GLU A 49 -6.235 12.998 -4.463 1.00 0.00 C ATOM 745 C GLU A 49 -6.693 11.540 -4.398 1.00 0.00 C ATOM 746 O GLU A 49 -6.928 11.007 -3.314 1.00 0.00 O ATOM 747 CB GLU A 49 -4.789 13.097 -4.955 1.00 0.00 C ATOM 748 CG GLU A 49 -4.426 14.542 -5.302 1.00 0.00 C ATOM 749 CD GLU A 49 -5.098 14.979 -6.605 1.00 0.00 C ATOM 750 OE1 GLU A 49 -4.853 14.299 -7.625 1.00 0.00 O ATOM 751 OE2 GLU A 49 -5.840 15.983 -6.552 1.00 0.00 O ATOM 0 H GLU A 49 -6.252 13.012 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.865 13.525 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.113 12.723 -4.186 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.655 12.464 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.733 15.202 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.344 14.636 -5.397 1.00 0.00 H new ATOM 758 N SER A 50 -6.805 10.935 -5.571 1.00 0.00 N ATOM 759 CA SER A 50 -7.231 9.549 -5.661 1.00 0.00 C ATOM 760 C SER A 50 -6.438 8.828 -6.753 1.00 0.00 C ATOM 761 O SER A 50 -6.254 9.361 -7.846 1.00 0.00 O ATOM 762 CB SER A 50 -8.732 9.451 -5.942 1.00 0.00 C ATOM 763 OG SER A 50 -9.273 10.690 -6.391 1.00 0.00 O ATOM 0 H SER A 50 -6.608 11.380 -6.468 1.00 0.00 H new ATOM 0 HA SER A 50 -7.037 9.068 -4.702 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.910 8.683 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.251 9.136 -5.036 1.00 0.00 H new ATOM 0 HG SER A 50 -10.232 10.586 -6.561 1.00 0.00 H new ATOM 769 N GLN A 51 -5.991 7.626 -6.419 1.00 0.00 N ATOM 770 CA GLN A 51 -5.222 6.826 -7.358 1.00 0.00 C ATOM 771 C GLN A 51 -5.395 5.337 -7.053 1.00 0.00 C ATOM 772 O GLN A 51 -5.122 4.892 -5.939 1.00 0.00 O ATOM 773 CB GLN A 51 -3.745 7.223 -7.335 1.00 0.00 C ATOM 774 CG GLN A 51 -3.041 6.791 -8.623 1.00 0.00 C ATOM 775 CD GLN A 51 -3.601 7.543 -9.832 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.888 8.728 -9.781 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.739 6.791 -10.920 1.00 0.00 N ATOM 0 H GLN A 51 -6.146 7.187 -5.512 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.600 7.017 -8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.657 8.303 -7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.255 6.764 -6.477 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.971 6.979 -8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.166 5.718 -8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.480 5.805 -10.895 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.104 7.200 -11.780 1.00 0.00 H new ATOM 786 N PRO A 52 -5.861 4.588 -8.088 1.00 0.00 N ATOM 787 CA PRO A 52 -6.073 3.158 -7.941 1.00 0.00 C ATOM 788 C PRO A 52 -4.743 2.403 -7.947 1.00 0.00 C ATOM 789 O PRO A 52 -3.811 2.785 -8.654 1.00 0.00 O ATOM 790 CB PRO A 52 -6.980 2.775 -9.099 1.00 0.00 C ATOM 791 CG PRO A 52 -6.864 3.903 -10.111 1.00 0.00 C ATOM 792 CD PRO A 52 -6.196 5.081 -9.421 1.00 0.00 C ATOM 0 HA PRO A 52 -6.533 2.896 -6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.674 1.825 -9.537 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.010 2.655 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.279 3.584 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.849 4.186 -10.482 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.305 5.402 -9.960 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.864 5.941 -9.369 1.00 0.00 H new ATOM 800 N LEU A 53 -4.697 1.344 -7.153 1.00 0.00 N ATOM 801 CA LEU A 53 -3.496 0.531 -7.057 1.00 0.00 C ATOM 802 C LEU A 53 -3.571 -0.603 -8.082 1.00 0.00 C ATOM 803 O LEU A 53 -3.196 -1.737 -7.786 1.00 0.00 O ATOM 804 CB LEU A 53 -3.288 0.049 -5.620 1.00 0.00 C ATOM 805 CG LEU A 53 -3.258 1.137 -4.546 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.750 0.595 -3.202 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.865 1.762 -4.436 1.00 0.00 C ATOM 0 H LEU A 53 -5.472 1.030 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.614 1.124 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.084 -0.654 -5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.350 -0.504 -5.575 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.944 1.930 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.718 1.389 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.774 0.236 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.108 -0.227 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.872 2.533 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.140 0.992 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.590 2.208 -5.392 1.00 0.00 H new ATOM 819 N LEU A 54 -4.057 -0.258 -9.265 1.00 0.00 N ATOM 820 CA LEU A 54 -4.185 -1.233 -10.335 1.00 0.00 C ATOM 821 C LEU A 54 -2.969 -1.133 -11.258 1.00 0.00 C ATOM 822 O LEU A 54 -2.674 -0.063 -11.788 1.00 0.00 O ATOM 823 CB LEU A 54 -5.522 -1.061 -11.058 1.00 0.00 C ATOM 824 CG LEU A 54 -5.883 -2.152 -12.068 1.00 0.00 C ATOM 825 CD1 LEU A 54 -7.376 -2.122 -12.399 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.016 -2.045 -13.325 1.00 0.00 C ATOM 0 H LEU A 54 -4.367 0.683 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.196 -2.245 -9.930 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.313 -1.010 -10.310 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.511 -0.102 -11.577 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.673 -3.120 -11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.605 -2.908 -13.119 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.954 -2.284 -11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.635 -1.153 -12.825 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.293 -2.832 -14.026 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.170 -1.072 -13.792 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.966 -2.154 -13.053 1.00 0.00 H new ATOM 838 N GLY A 55 -2.297 -2.263 -11.423 1.00 0.00 N ATOM 839 CA GLY A 55 -1.120 -2.317 -12.273 1.00 0.00 C ATOM 840 C GLY A 55 0.130 -1.878 -11.508 1.00 0.00 C ATOM 841 O GLY A 55 1.249 -2.056 -11.986 1.00 0.00 O ATOM 0 H GLY A 55 -2.545 -3.149 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.984 -3.332 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.264 -1.674 -13.141 1.00 0.00 H new ATOM 845 N PHE A 56 -0.103 -1.312 -10.333 1.00 0.00 N ATOM 846 CA PHE A 56 0.990 -0.846 -9.496 1.00 0.00 C ATOM 847 C PHE A 56 1.637 -2.009 -8.742 1.00 0.00 C ATOM 848 O PHE A 56 1.221 -3.158 -8.889 1.00 0.00 O ATOM 849 CB PHE A 56 0.392 0.133 -8.484 1.00 0.00 C ATOM 850 CG PHE A 56 0.234 1.559 -9.016 1.00 0.00 C ATOM 851 CD1 PHE A 56 1.287 2.418 -8.983 1.00 0.00 C ATOM 852 CD2 PHE A 56 -0.961 1.967 -9.522 1.00 0.00 C ATOM 853 CE1 PHE A 56 1.140 3.741 -9.477 1.00 0.00 C ATOM 854 CE2 PHE A 56 -1.108 3.290 -10.015 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.055 4.149 -9.983 1.00 0.00 C ATOM 0 H PHE A 56 -1.033 -1.165 -9.940 1.00 0.00 H new ATOM 0 HA PHE A 56 1.757 -0.376 -10.112 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.584 -0.237 -8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.025 0.155 -7.597 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.236 2.094 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.798 1.285 -9.549 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.977 4.423 -9.451 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.057 3.614 -10.416 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.167 5.155 -10.359 1.00 0.00 H new ATOM 865 N THR A 57 2.645 -1.672 -7.952 1.00 0.00 N ATOM 866 CA THR A 57 3.354 -2.674 -7.174 1.00 0.00 C ATOM 867 C THR A 57 3.956 -2.045 -5.916 1.00 0.00 C ATOM 868 O THR A 57 3.955 -0.824 -5.766 1.00 0.00 O ATOM 869 CB THR A 57 4.396 -3.328 -8.084 1.00 0.00 C ATOM 870 OG1 THR A 57 3.703 -3.537 -9.311 1.00 0.00 O ATOM 871 CG2 THR A 57 4.773 -4.738 -7.624 1.00 0.00 C ATOM 0 H THR A 57 2.988 -0.719 -7.834 1.00 0.00 H new ATOM 0 HA THR A 57 2.677 -3.451 -6.819 1.00 0.00 H new ATOM 0 HB THR A 57 5.290 -2.706 -8.117 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.306 -3.957 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.515 -5.156 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.188 -4.693 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.885 -5.370 -7.623 1.00 0.00 H new ATOM 879 N VAL A 58 4.454 -2.908 -5.042 1.00 0.00 N ATOM 880 CA VAL A 58 5.058 -2.453 -3.801 1.00 0.00 C ATOM 881 C VAL A 58 6.226 -3.371 -3.440 1.00 0.00 C ATOM 882 O VAL A 58 6.229 -4.548 -3.798 1.00 0.00 O ATOM 883 CB VAL A 58 3.997 -2.375 -2.702 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.538 -2.919 -1.378 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.483 -0.943 -2.537 1.00 0.00 C ATOM 0 H VAL A 58 4.451 -3.920 -5.169 1.00 0.00 H new ATOM 0 HA VAL A 58 5.461 -1.447 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 58 3.156 -3.000 -3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.764 -2.852 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.833 -3.961 -1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.404 -2.332 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.730 -0.915 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.312 -0.287 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.041 -0.605 -3.474 1.00 0.00 H new ATOM 895 N THR A 59 7.192 -2.799 -2.736 1.00 0.00 N ATOM 896 CA THR A 59 8.364 -3.552 -2.323 1.00 0.00 C ATOM 897 C THR A 59 9.077 -2.839 -1.172 1.00 0.00 C ATOM 898 O THR A 59 9.052 -1.612 -1.086 1.00 0.00 O ATOM 899 CB THR A 59 9.251 -3.758 -3.552 1.00 0.00 C ATOM 900 OG1 THR A 59 10.093 -4.850 -3.193 1.00 0.00 O ATOM 901 CG2 THR A 59 10.222 -2.597 -3.776 1.00 0.00 C ATOM 0 H THR A 59 7.187 -1.823 -2.441 1.00 0.00 H new ATOM 0 HA THR A 59 8.088 -4.533 -1.936 1.00 0.00 H new ATOM 0 HB THR A 59 8.624 -3.881 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.700 -5.052 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.827 -2.794 -4.661 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.659 -1.675 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.872 -2.494 -2.907 1.00 0.00 H new ATOM 909 N LEU A 60 9.696 -3.639 -0.316 1.00 0.00 N ATOM 910 CA LEU A 60 10.415 -3.099 0.826 1.00 0.00 C ATOM 911 C LEU A 60 11.715 -2.453 0.345 1.00 0.00 C ATOM 912 O LEU A 60 12.357 -2.952 -0.577 1.00 0.00 O ATOM 913 CB LEU A 60 10.622 -4.181 1.888 1.00 0.00 C ATOM 914 CG LEU A 60 11.050 -3.689 3.272 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.413 -2.998 3.211 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.978 -2.788 3.889 1.00 0.00 C ATOM 0 H LEU A 60 9.715 -4.656 -0.390 1.00 0.00 H new ATOM 0 HA LEU A 60 9.830 -2.317 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.692 -4.740 1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.375 -4.880 1.524 1.00 0.00 H new ATOM 0 HG LEU A 60 11.157 -4.556 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.693 -2.658 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.161 -3.701 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.357 -2.142 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.307 -2.452 4.872 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.815 -1.923 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.047 -3.346 3.989 1.00 0.00 H new ATOM 928 N VAL A 61 12.065 -1.351 0.993 1.00 0.00 N ATOM 929 CA VAL A 61 13.278 -0.630 0.643 1.00 0.00 C ATOM 930 C VAL A 61 14.163 -0.499 1.884 1.00 0.00 C ATOM 931 O VAL A 61 13.675 -0.189 2.969 1.00 0.00 O ATOM 932 CB VAL A 61 12.922 0.719 0.017 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.687 1.326 0.686 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.109 1.683 0.079 1.00 0.00 C ATOM 0 H VAL A 61 11.530 -0.940 1.758 1.00 0.00 H new ATOM 0 HA VAL A 61 13.848 -1.180 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 61 12.684 0.548 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.456 2.285 0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.840 0.651 0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.885 1.475 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.829 2.635 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.393 1.845 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.952 1.257 -0.465 1.00 0.00 H new ATOM 1033 N SER A 68 13.022 -1.980 7.517 1.00 0.00 N ATOM 1034 CA SER A 68 11.863 -2.497 6.810 1.00 0.00 C ATOM 1035 C SER A 68 10.591 -1.819 7.323 1.00 0.00 C ATOM 1036 O SER A 68 9.537 -2.448 7.402 1.00 0.00 O ATOM 1037 CB SER A 68 11.755 -4.015 6.965 1.00 0.00 C ATOM 1038 OG SER A 68 13.034 -4.632 7.084 1.00 0.00 O ATOM 0 HA SER A 68 11.983 -2.275 5.750 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.157 -4.248 7.846 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.231 -4.431 6.105 1.00 0.00 H new ATOM 0 HG SER A 68 13.687 -3.974 7.402 1.00 0.00 H new ATOM 1044 N LYS A 69 10.732 -0.545 7.658 1.00 0.00 N ATOM 1045 CA LYS A 69 9.607 0.225 8.161 1.00 0.00 C ATOM 1046 C LYS A 69 9.137 1.200 7.079 1.00 0.00 C ATOM 1047 O LYS A 69 8.186 1.952 7.287 1.00 0.00 O ATOM 1048 CB LYS A 69 9.971 0.904 9.483 1.00 0.00 C ATOM 1049 CG LYS A 69 10.169 -0.130 10.594 1.00 0.00 C ATOM 1050 CD LYS A 69 11.396 0.206 11.443 1.00 0.00 C ATOM 1051 CE LYS A 69 11.239 -0.327 12.869 1.00 0.00 C ATOM 1052 NZ LYS A 69 12.164 0.371 13.789 1.00 0.00 N ATOM 0 H LYS A 69 11.608 -0.027 7.591 1.00 0.00 H new ATOM 0 HA LYS A 69 8.767 -0.432 8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.883 1.487 9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.183 1.602 9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.282 -0.163 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.286 -1.121 10.156 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.287 -0.224 10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.540 1.286 11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.211 -0.189 13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.439 -1.398 12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.044 -0.003 14.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.144 0.218 13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.955 1.390 13.785 1.00 0.00 H new ATOM 1066 N VAL A 70 9.824 1.154 5.947 1.00 0.00 N ATOM 1067 CA VAL A 70 9.488 2.023 4.832 1.00 0.00 C ATOM 1068 C VAL A 70 9.429 1.196 3.546 1.00 0.00 C ATOM 1069 O VAL A 70 10.183 0.238 3.385 1.00 0.00 O ATOM 1070 CB VAL A 70 10.485 3.181 4.753 1.00 0.00 C ATOM 1071 CG1 VAL A 70 11.898 2.714 5.107 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.455 3.837 3.371 1.00 0.00 C ATOM 0 H VAL A 70 10.612 0.528 5.778 1.00 0.00 H new ATOM 0 HA VAL A 70 8.504 2.468 4.977 1.00 0.00 H new ATOM 0 HB VAL A 70 10.186 3.930 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.586 3.557 5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.906 2.315 6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.210 1.937 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.173 4.657 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.716 3.099 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.455 4.223 3.173 1.00 0.00 H new ATOM 1082 N PHE A 71 8.526 1.597 2.664 1.00 0.00 N ATOM 1083 CA PHE A 71 8.359 0.906 1.397 1.00 0.00 C ATOM 1084 C PHE A 71 8.248 1.900 0.239 1.00 0.00 C ATOM 1085 O PHE A 71 8.262 3.111 0.453 1.00 0.00 O ATOM 1086 CB PHE A 71 7.059 0.105 1.493 1.00 0.00 C ATOM 1087 CG PHE A 71 5.887 0.891 2.084 1.00 0.00 C ATOM 1088 CD1 PHE A 71 5.869 1.192 3.410 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.862 1.289 1.283 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.782 1.921 3.959 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.774 2.018 1.832 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.757 2.319 3.158 1.00 0.00 C ATOM 0 H PHE A 71 7.902 2.392 2.802 1.00 0.00 H new ATOM 0 HA PHE A 71 9.220 0.265 1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.784 -0.243 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.234 -0.781 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.683 0.876 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.876 1.051 0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.769 2.160 5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.960 2.333 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.930 2.874 3.575 1.00 0.00 H new ATOM 1102 N GLN A 72 8.140 1.351 -0.962 1.00 0.00 N ATOM 1103 CA GLN A 72 8.026 2.175 -2.153 1.00 0.00 C ATOM 1104 C GLN A 72 6.868 1.689 -3.026 1.00 0.00 C ATOM 1105 O GLN A 72 6.631 0.487 -3.136 1.00 0.00 O ATOM 1106 CB GLN A 72 9.339 2.185 -2.940 1.00 0.00 C ATOM 1107 CG GLN A 72 10.327 3.190 -2.345 1.00 0.00 C ATOM 1108 CD GLN A 72 11.545 3.365 -3.254 1.00 0.00 C ATOM 1109 OE1 GLN A 72 11.929 4.465 -3.615 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.129 2.222 -3.603 1.00 0.00 N ATOM 0 H GLN A 72 8.129 0.346 -1.136 1.00 0.00 H new ATOM 0 HA GLN A 72 7.817 3.199 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.780 1.188 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.141 2.437 -3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.833 4.151 -2.204 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.649 2.850 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.756 1.335 -3.265 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.950 2.233 -4.208 1.00 0.00 H new ATOM 1119 N LEU A 73 6.176 2.648 -3.624 1.00 0.00 N ATOM 1120 CA LEU A 73 5.048 2.333 -4.484 1.00 0.00 C ATOM 1121 C LEU A 73 5.525 2.251 -5.935 1.00 0.00 C ATOM 1122 O LEU A 73 5.633 3.269 -6.616 1.00 0.00 O ATOM 1123 CB LEU A 73 3.912 3.335 -4.266 1.00 0.00 C ATOM 1124 CG LEU A 73 2.592 3.015 -4.970 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.036 1.667 -4.507 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.581 4.148 -4.779 1.00 0.00 C ATOM 0 H LEU A 73 6.375 3.644 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 73 4.635 1.357 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.721 3.411 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.250 4.316 -4.599 1.00 0.00 H new ATOM 0 HG LEU A 73 2.786 2.933 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.097 1.464 -5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.754 0.879 -4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.860 1.696 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.651 3.896 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.386 4.286 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.985 5.070 -5.196 1.00 0.00 H new ATOM 1138 N LEU A 74 5.799 1.028 -6.366 1.00 0.00 N ATOM 1139 CA LEU A 74 6.262 0.799 -7.724 1.00 0.00 C ATOM 1140 C LEU A 74 5.065 0.820 -8.677 1.00 0.00 C ATOM 1141 O LEU A 74 3.963 0.421 -8.303 1.00 0.00 O ATOM 1142 CB LEU A 74 7.086 -0.488 -7.799 1.00 0.00 C ATOM 1143 CG LEU A 74 8.512 -0.405 -7.250 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.742 -1.454 -6.161 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.540 -0.514 -8.378 1.00 0.00 C ATOM 0 H LEU A 74 5.709 0.185 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 74 6.933 1.598 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.554 -1.269 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.137 -0.803 -8.841 1.00 0.00 H new ATOM 0 HG LEU A 74 8.644 0.573 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.763 -1.373 -5.788 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.042 -1.288 -5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.585 -2.450 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.545 -0.452 -7.961 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.418 -1.468 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.390 0.301 -9.087 1.00 0.00 H new ATOM 1157 N HIS A 75 5.323 1.288 -9.889 1.00 0.00 N ATOM 1158 CA HIS A 75 4.281 1.366 -10.898 1.00 0.00 C ATOM 1159 C HIS A 75 4.831 0.885 -12.242 1.00 0.00 C ATOM 1160 O HIS A 75 5.458 1.651 -12.971 1.00 0.00 O ATOM 1161 CB HIS A 75 3.697 2.779 -10.969 1.00 0.00 C ATOM 1162 CG HIS A 75 2.548 2.921 -11.938 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.456 2.132 -12.149 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 2.445 3.976 -12.829 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 0.725 2.675 -13.114 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 1.337 3.818 -13.537 1.00 0.00 N flip ATOM 0 H HIS A 75 6.239 1.617 -10.195 1.00 0.00 H new ATOM 0 HA HIS A 75 3.456 0.708 -10.625 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.359 3.072 -9.975 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.487 3.474 -11.254 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.149 4.789 -12.929 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.202 2.277 -13.501 1.00 0.00 H new ATOM 0 HE2 HIS A 75 1.000 4.442 -14.270 1.00 0.00 H new ATOM 1174 N LYS A 76 4.575 -0.384 -12.529 1.00 0.00 N ATOM 1175 CA LYS A 76 5.037 -0.977 -13.773 1.00 0.00 C ATOM 1176 C LYS A 76 6.507 -1.376 -13.628 1.00 0.00 C ATOM 1177 O LYS A 76 7.122 -1.850 -14.581 1.00 0.00 O ATOM 1178 CB LYS A 76 4.769 -0.035 -14.948 1.00 0.00 C ATOM 1179 CG LYS A 76 3.380 0.598 -14.837 1.00 0.00 C ATOM 1180 CD LYS A 76 2.927 1.165 -16.184 1.00 0.00 C ATOM 1181 CE LYS A 76 3.624 2.493 -16.483 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.839 2.269 -17.298 1.00 0.00 N ATOM 0 H LYS A 76 4.054 -1.017 -11.922 1.00 0.00 H new ATOM 0 HA LYS A 76 4.479 -1.888 -13.991 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.528 0.747 -14.972 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.848 -0.585 -15.885 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.663 -0.147 -14.492 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.397 1.393 -14.091 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.146 0.449 -16.976 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.847 1.311 -16.176 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.941 3.158 -17.012 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.891 2.988 -15.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.629 2.818 -16.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.082 1.258 -17.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.662 2.573 -18.277 1.00 0.00 H new ATOM 1196 N GLY A 77 7.028 -1.168 -12.427 1.00 0.00 N ATOM 1197 CA GLY A 77 8.414 -1.500 -12.145 1.00 0.00 C ATOM 1198 C GLY A 77 9.174 -0.280 -11.621 1.00 0.00 C ATOM 1199 O GLY A 77 10.161 -0.421 -10.900 1.00 0.00 O ATOM 0 H GLY A 77 6.515 -0.774 -11.639 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.457 -2.303 -11.409 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.894 -1.871 -13.050 1.00 0.00 H new ATOM 1203 N MET A 78 8.686 0.891 -12.005 1.00 0.00 N ATOM 1204 CA MET A 78 9.307 2.135 -11.583 1.00 0.00 C ATOM 1205 C MET A 78 8.731 2.610 -10.248 1.00 0.00 C ATOM 1206 O MET A 78 7.550 2.407 -9.970 1.00 0.00 O ATOM 1207 CB MET A 78 9.078 3.207 -12.649 1.00 0.00 C ATOM 1208 CG MET A 78 9.906 2.919 -13.903 1.00 0.00 C ATOM 1209 SD MET A 78 9.193 3.756 -15.310 1.00 0.00 S ATOM 1210 CE MET A 78 10.558 4.814 -15.765 1.00 0.00 C ATOM 0 H MET A 78 7.868 1.004 -12.604 1.00 0.00 H new ATOM 0 HA MET A 78 10.375 1.961 -11.454 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.020 3.247 -12.909 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.345 4.185 -12.249 1.00 0.00 H new ATOM 0 HG2 MET A 78 10.934 3.250 -13.754 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.941 1.845 -14.087 1.00 0.00 H new ATOM 0 HE1 MET A 78 10.281 5.411 -16.634 1.00 0.00 H new ATOM 0 HE2 MET A 78 10.800 5.475 -14.932 1.00 0.00 H new ATOM 0 HE3 MET A 78 11.427 4.203 -16.007 1.00 0.00 H new ATOM 1220 N VAL A 79 9.591 3.234 -9.457 1.00 0.00 N ATOM 1221 CA VAL A 79 9.182 3.741 -8.158 1.00 0.00 C ATOM 1222 C VAL A 79 8.362 5.018 -8.348 1.00 0.00 C ATOM 1223 O VAL A 79 8.794 5.940 -9.038 1.00 0.00 O ATOM 1224 CB VAL A 79 10.409 3.945 -7.266 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.053 4.764 -6.023 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.034 2.603 -6.878 1.00 0.00 C ATOM 0 H VAL A 79 10.570 3.400 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 79 8.544 3.018 -7.650 1.00 0.00 H new ATOM 0 HB VAL A 79 11.149 4.506 -7.837 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.942 4.894 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.675 5.740 -6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.287 4.241 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.904 2.776 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.303 2.005 -6.335 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.341 2.071 -7.778 1.00 0.00 H new ATOM 1236 N PHE A 80 7.194 5.032 -7.724 1.00 0.00 N ATOM 1237 CA PHE A 80 6.309 6.181 -7.816 1.00 0.00 C ATOM 1238 C PHE A 80 6.500 7.117 -6.620 1.00 0.00 C ATOM 1239 O PHE A 80 6.504 8.337 -6.777 1.00 0.00 O ATOM 1240 CB PHE A 80 4.877 5.644 -7.804 1.00 0.00 C ATOM 1241 CG PHE A 80 3.817 6.695 -8.143 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.961 7.475 -9.248 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.730 6.847 -7.340 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.977 8.450 -9.562 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.746 7.822 -7.655 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.891 8.603 -8.759 1.00 0.00 C ATOM 0 H PHE A 80 6.839 4.266 -7.152 1.00 0.00 H new ATOM 0 HA PHE A 80 6.525 6.745 -8.723 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.801 4.823 -8.517 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.663 5.231 -6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.823 7.353 -9.887 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.615 6.227 -6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.092 9.070 -10.439 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.883 7.943 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.143 9.345 -8.998 1.00 0.00 H new ATOM 1256 N TYR A 81 6.655 6.509 -5.453 1.00 0.00 N ATOM 1257 CA TYR A 81 6.846 7.273 -4.232 1.00 0.00 C ATOM 1258 C TYR A 81 7.434 6.397 -3.124 1.00 0.00 C ATOM 1259 O TYR A 81 7.471 5.174 -3.248 1.00 0.00 O ATOM 1260 CB TYR A 81 5.454 7.745 -3.807 1.00 0.00 C ATOM 1261 CG TYR A 81 4.972 8.999 -4.540 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.747 10.142 -4.535 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.763 8.988 -5.205 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.293 11.322 -5.224 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.310 10.169 -5.895 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.097 11.277 -5.870 1.00 0.00 C ATOM 1267 OH TYR A 81 3.669 12.392 -6.521 1.00 0.00 O ATOM 0 H TYR A 81 6.652 5.497 -5.327 1.00 0.00 H new ATOM 0 HA TYR A 81 7.534 8.101 -4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.740 6.939 -3.978 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.460 7.943 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.693 10.151 -4.014 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.156 8.094 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.889 12.223 -5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.366 10.174 -6.420 1.00 0.00 H new ATOM 0 HH TYR A 81 2.800 12.214 -6.938 1.00 0.00 H new ATOM 1277 N VAL A 82 7.878 7.058 -2.064 1.00 0.00 N ATOM 1278 CA VAL A 82 8.462 6.354 -0.935 1.00 0.00 C ATOM 1279 C VAL A 82 7.613 6.606 0.312 1.00 0.00 C ATOM 1280 O VAL A 82 7.495 7.743 0.769 1.00 0.00 O ATOM 1281 CB VAL A 82 9.923 6.772 -0.757 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.596 5.957 0.349 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.692 6.649 -2.074 1.00 0.00 C ATOM 0 H VAL A 82 7.845 8.073 -1.964 1.00 0.00 H new ATOM 0 HA VAL A 82 8.464 5.279 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 82 9.938 7.820 -0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.633 6.274 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.070 6.117 1.290 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.565 4.898 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.728 6.952 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.664 5.615 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.233 7.293 -2.825 1.00 0.00 H new ATOM 1293 N PHE A 83 7.042 5.528 0.828 1.00 0.00 N ATOM 1294 CA PHE A 83 6.207 5.618 2.014 1.00 0.00 C ATOM 1295 C PHE A 83 6.912 5.012 3.229 1.00 0.00 C ATOM 1296 O PHE A 83 7.313 3.850 3.202 1.00 0.00 O ATOM 1297 CB PHE A 83 4.934 4.819 1.726 1.00 0.00 C ATOM 1298 CG PHE A 83 4.008 5.471 0.698 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.387 6.645 0.990 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.807 4.877 -0.509 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.528 7.251 0.035 1.00 0.00 C ATOM 1302 CE2 PHE A 83 2.948 5.483 -1.464 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.326 6.657 -1.172 1.00 0.00 C ATOM 0 H PHE A 83 7.141 4.587 0.447 1.00 0.00 H new ATOM 0 HA PHE A 83 5.990 6.662 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.213 3.827 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.385 4.681 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.547 7.117 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.300 3.945 -0.741 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.035 8.184 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.789 5.012 -2.422 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.672 7.117 -1.898 1.00 0.00 H new ATOM 1313 N LYS A 84 7.041 5.827 4.266 1.00 0.00 N ATOM 1314 CA LYS A 84 7.691 5.385 5.488 1.00 0.00 C ATOM 1315 C LYS A 84 6.648 5.274 6.603 1.00 0.00 C ATOM 1316 O LYS A 84 5.830 6.174 6.785 1.00 0.00 O ATOM 1317 CB LYS A 84 8.864 6.305 5.833 1.00 0.00 C ATOM 1318 CG LYS A 84 9.427 5.979 7.218 1.00 0.00 C ATOM 1319 CD LYS A 84 10.043 7.221 7.865 1.00 0.00 C ATOM 1320 CE LYS A 84 11.533 7.012 8.145 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.887 7.531 9.484 1.00 0.00 N ATOM 0 H LYS A 84 6.707 6.790 4.285 1.00 0.00 H new ATOM 0 HA LYS A 84 8.122 4.393 5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.648 6.198 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.536 7.344 5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.633 5.589 7.855 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.181 5.197 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.910 8.081 7.209 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.523 7.447 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.775 5.951 8.084 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.127 7.518 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.901 7.381 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.675 8.548 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.334 7.029 10.208 1.00 0.00 H new ATOM 1335 N ALA A 85 6.713 4.161 7.320 1.00 0.00 N ATOM 1336 CA ALA A 85 5.785 3.921 8.412 1.00 0.00 C ATOM 1337 C ALA A 85 6.528 4.041 9.743 1.00 0.00 C ATOM 1338 O ALA A 85 7.714 3.725 9.827 1.00 0.00 O ATOM 1339 CB ALA A 85 5.130 2.550 8.232 1.00 0.00 C ATOM 0 H ALA A 85 7.393 3.417 7.166 1.00 0.00 H new ATOM 0 HA ALA A 85 4.989 4.666 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.434 2.369 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.591 2.526 7.285 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.898 1.777 8.232 1.00 0.00 H new ATOM 1345 N ASP A 86 5.801 4.499 10.752 1.00 0.00 N ATOM 1346 CA ASP A 86 6.377 4.665 12.075 1.00 0.00 C ATOM 1347 C ASP A 86 6.887 3.313 12.578 1.00 0.00 C ATOM 1348 O ASP A 86 8.090 3.126 12.754 1.00 0.00 O ATOM 1349 CB ASP A 86 5.333 5.177 13.070 1.00 0.00 C ATOM 1350 CG ASP A 86 5.884 6.071 14.183 1.00 0.00 C ATOM 1351 OD1 ASP A 86 6.175 7.247 13.874 1.00 0.00 O ATOM 1352 OD2 ASP A 86 6.001 5.558 15.317 1.00 0.00 O ATOM 0 H ASP A 86 4.818 4.760 10.679 1.00 0.00 H new ATOM 0 HA ASP A 86 7.189 5.388 12.001 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.572 5.732 12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.836 4.320 13.525 1.00 0.00 H new ATOM 1357 N ASP A 87 5.946 2.406 12.796 1.00 0.00 N ATOM 1358 CA ASP A 87 6.285 1.077 13.275 1.00 0.00 C ATOM 1359 C ASP A 87 6.559 0.163 12.079 1.00 0.00 C ATOM 1360 O ASP A 87 6.271 0.523 10.939 1.00 0.00 O ATOM 1361 CB ASP A 87 5.133 0.471 14.079 1.00 0.00 C ATOM 1362 CG ASP A 87 4.490 1.413 15.098 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.146 2.424 15.430 1.00 0.00 O ATOM 1364 OD2 ASP A 87 3.356 1.101 15.523 1.00 0.00 O ATOM 0 H ASP A 87 4.949 2.565 12.650 1.00 0.00 H new ATOM 0 HA ASP A 87 7.164 1.163 13.913 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.364 0.132 13.385 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.500 -0.411 14.603 1.00 0.00 H new ATOM 1369 N ALA A 88 7.114 -1.002 12.381 1.00 0.00 N ATOM 1370 CA ALA A 88 7.430 -1.971 11.345 1.00 0.00 C ATOM 1371 C ALA A 88 6.144 -2.663 10.890 1.00 0.00 C ATOM 1372 O ALA A 88 5.823 -2.665 9.702 1.00 0.00 O ATOM 1373 CB ALA A 88 8.470 -2.961 11.873 1.00 0.00 C ATOM 0 H ALA A 88 7.353 -1.297 13.328 1.00 0.00 H new ATOM 0 HA ALA A 88 7.863 -1.476 10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.707 -3.688 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.375 -2.422 12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.070 -3.479 12.745 1.00 0.00 H new ATOM 1379 N HIS A 89 5.443 -3.234 11.858 1.00 0.00 N ATOM 1380 CA HIS A 89 4.199 -3.928 11.571 1.00 0.00 C ATOM 1381 C HIS A 89 3.402 -3.143 10.527 1.00 0.00 C ATOM 1382 O HIS A 89 3.028 -3.687 9.489 1.00 0.00 O ATOM 1383 CB HIS A 89 3.407 -4.178 12.857 1.00 0.00 C ATOM 1384 CG HIS A 89 4.166 -4.960 13.903 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.118 -6.340 13.988 1.00 0.00 N ATOM 1386 CD2 HIS A 89 4.991 -4.540 14.905 1.00 0.00 C ATOM 1387 CE1 HIS A 89 4.882 -6.723 15.000 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.422 -5.606 15.567 1.00 0.00 N ATOM 0 H HIS A 89 5.713 -3.230 12.842 1.00 0.00 H new ATOM 0 HA HIS A 89 4.415 -4.910 11.149 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.109 -3.219 13.280 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.492 -4.715 12.609 1.00 0.00 H new ATOM 0 HD2 HIS A 89 5.249 -3.514 15.122 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.048 -7.741 15.320 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.053 -5.593 16.368 1.00 0.00 H new ATOM 1396 N SER A 90 3.165 -1.878 10.839 1.00 0.00 N ATOM 1397 CA SER A 90 2.419 -1.013 9.941 1.00 0.00 C ATOM 1398 C SER A 90 2.945 -1.164 8.512 1.00 0.00 C ATOM 1399 O SER A 90 2.176 -1.425 7.589 1.00 0.00 O ATOM 1400 CB SER A 90 2.505 0.449 10.387 1.00 0.00 C ATOM 1401 OG SER A 90 3.751 0.744 11.013 1.00 0.00 O ATOM 0 H SER A 90 3.476 -1.431 11.701 1.00 0.00 H new ATOM 0 HA SER A 90 1.371 -1.312 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.370 1.100 9.523 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.691 0.665 11.079 1.00 0.00 H new ATOM 0 HG SER A 90 4.481 0.585 10.379 1.00 0.00 H new ATOM 1407 N THR A 91 4.252 -0.993 8.376 1.00 0.00 N ATOM 1408 CA THR A 91 4.889 -1.107 7.075 1.00 0.00 C ATOM 1409 C THR A 91 4.354 -2.328 6.324 1.00 0.00 C ATOM 1410 O THR A 91 3.790 -2.196 5.239 1.00 0.00 O ATOM 1411 CB THR A 91 6.403 -1.143 7.292 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.667 0.005 8.093 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.186 -0.886 6.003 1.00 0.00 C ATOM 0 H THR A 91 4.887 -0.777 9.145 1.00 0.00 H new ATOM 0 HA THR A 91 4.656 -0.249 6.444 1.00 0.00 H new ATOM 0 HB THR A 91 6.687 -2.112 7.702 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.698 -0.255 9.037 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.255 -0.923 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.935 -1.649 5.266 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.927 0.097 5.610 1.00 0.00 H new ATOM 1421 N GLN A 92 4.549 -3.489 6.931 1.00 0.00 N ATOM 1422 CA GLN A 92 4.093 -4.733 6.334 1.00 0.00 C ATOM 1423 C GLN A 92 2.606 -4.640 5.986 1.00 0.00 C ATOM 1424 O GLN A 92 2.195 -5.030 4.894 1.00 0.00 O ATOM 1425 CB GLN A 92 4.367 -5.919 7.260 1.00 0.00 C ATOM 1426 CG GLN A 92 5.836 -6.341 7.191 1.00 0.00 C ATOM 1427 CD GLN A 92 6.055 -7.388 6.096 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.797 -8.567 6.269 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.544 -6.891 4.963 1.00 0.00 N ATOM 0 H GLN A 92 5.017 -3.595 7.831 1.00 0.00 H new ATOM 0 HA GLN A 92 4.652 -4.898 5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.110 -5.652 8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.730 -6.758 6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.460 -5.469 6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.147 -6.746 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.738 -5.893 4.886 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.725 -7.508 4.172 1.00 0.00 H new ATOM 1438 N ARG A 93 1.840 -4.123 6.936 1.00 0.00 N ATOM 1439 CA ARG A 93 0.408 -3.974 6.743 1.00 0.00 C ATOM 1440 C ARG A 93 0.123 -3.159 5.480 1.00 0.00 C ATOM 1441 O ARG A 93 -0.675 -3.569 4.639 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.241 -3.283 7.945 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.055 -4.111 9.219 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.281 -3.999 10.128 1.00 0.00 C ATOM 1445 NE ARG A 93 -1.022 -3.019 11.207 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.920 -2.674 12.140 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -3.141 -3.227 12.131 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -1.598 -1.777 13.081 1.00 0.00 N ATOM 0 H ARG A 93 2.184 -3.802 7.841 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.017 -4.972 6.638 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.198 -2.295 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.304 -3.136 7.754 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.114 -5.155 8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.831 -3.769 9.753 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.149 -3.690 9.546 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.516 -4.973 10.558 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.103 -2.579 11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.386 -3.910 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.825 -2.965 12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -0.669 -1.356 13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.282 -1.515 13.791 1.00 0.00 H new ATOM 1462 N TRP A 94 0.791 -2.019 5.388 1.00 0.00 N ATOM 1463 CA TRP A 94 0.620 -1.142 4.241 1.00 0.00 C ATOM 1464 C TRP A 94 1.121 -1.884 3.000 1.00 0.00 C ATOM 1465 O TRP A 94 0.431 -1.935 1.983 1.00 0.00 O ATOM 1466 CB TRP A 94 1.328 0.196 4.464 1.00 0.00 C ATOM 1467 CG TRP A 94 0.462 1.250 5.156 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.587 1.735 6.399 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.675 1.936 4.590 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.382 2.678 6.675 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -1.174 2.804 5.539 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.263 1.825 3.317 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -2.283 3.629 5.317 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.370 2.656 3.111 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.885 3.536 4.056 1.00 0.00 C ATOM 0 H TRP A 94 1.452 -1.682 6.088 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.432 -0.894 4.098 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.223 0.026 5.062 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.657 0.586 3.501 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.351 1.426 7.098 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.496 3.188 7.551 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.890 1.152 2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.654 4.301 6.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.859 2.610 2.149 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.745 4.145 3.819 1.00 0.00 H new ATOM 1486 N ILE A 95 2.317 -2.440 3.125 1.00 0.00 N ATOM 1487 CA ILE A 95 2.918 -3.176 2.026 1.00 0.00 C ATOM 1488 C ILE A 95 1.939 -4.246 1.539 1.00 0.00 C ATOM 1489 O ILE A 95 1.442 -4.174 0.416 1.00 0.00 O ATOM 1490 CB ILE A 95 4.283 -3.733 2.436 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.300 -2.606 2.627 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.770 -4.782 1.435 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.641 -3.155 3.115 1.00 0.00 C ATOM 0 H ILE A 95 2.886 -2.396 3.970 1.00 0.00 H new ATOM 0 HA ILE A 95 3.111 -2.512 1.184 1.00 0.00 H new ATOM 0 HB ILE A 95 4.173 -4.233 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.441 -2.075 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.916 -1.883 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.742 -5.162 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.056 -5.604 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.860 -4.329 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.346 -2.333 3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.500 -3.664 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.034 -3.860 2.382 1.00 0.00 H new ATOM 1505 N ASP A 96 1.690 -5.215 2.408 1.00 0.00 N ATOM 1506 CA ASP A 96 0.779 -6.299 2.081 1.00 0.00 C ATOM 1507 C ASP A 96 -0.549 -5.714 1.596 1.00 0.00 C ATOM 1508 O ASP A 96 -1.171 -6.252 0.681 1.00 0.00 O ATOM 1509 CB ASP A 96 0.493 -7.167 3.307 1.00 0.00 C ATOM 1510 CG ASP A 96 0.787 -8.658 3.126 1.00 0.00 C ATOM 1511 OD1 ASP A 96 1.015 -9.054 1.963 1.00 0.00 O ATOM 1512 OD2 ASP A 96 0.776 -9.367 4.155 1.00 0.00 O ATOM 0 H ASP A 96 2.104 -5.272 3.339 1.00 0.00 H new ATOM 0 HA ASP A 96 1.245 -6.910 1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.084 -6.794 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.556 -7.049 3.580 1.00 0.00 H new ATOM 1517 N ALA A 97 -0.944 -4.620 2.230 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.187 -3.956 1.875 1.00 0.00 C ATOM 1519 C ALA A 97 -2.083 -3.420 0.445 1.00 0.00 C ATOM 1520 O ALA A 97 -3.057 -3.453 -0.306 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.485 -2.852 2.891 1.00 0.00 C ATOM 0 H ALA A 97 -0.425 -4.176 2.988 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.020 -4.659 1.904 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.417 -2.354 2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.578 -3.288 3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.672 -2.126 2.888 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.894 -2.939 0.113 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.651 -2.397 -1.213 1.00 0.00 C ATOM 1529 C PHE A 98 -0.368 -3.514 -2.219 1.00 0.00 C ATOM 1530 O PHE A 98 -0.542 -3.329 -3.423 1.00 0.00 O ATOM 1531 CB PHE A 98 0.582 -1.497 -1.109 1.00 0.00 C ATOM 1532 CG PHE A 98 0.270 -0.058 -0.693 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.587 0.693 -1.436 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.848 0.470 0.418 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.878 2.029 -1.050 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.558 1.806 0.804 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.299 2.557 0.062 1.00 0.00 C ATOM 0 H PHE A 98 -0.089 -2.913 0.739 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.528 -1.849 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.275 -1.930 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.091 -1.483 -2.073 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.046 0.274 -2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.528 -0.127 1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.559 2.625 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.018 2.225 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.520 3.573 0.355 1.00 0.00 H new ATOM 1547 N GLN A 99 0.062 -4.649 -1.689 1.00 0.00 N ATOM 1548 CA GLN A 99 0.370 -5.797 -2.526 1.00 0.00 C ATOM 1549 C GLN A 99 -0.908 -6.568 -2.860 1.00 0.00 C ATOM 1550 O GLN A 99 -1.073 -7.048 -3.980 1.00 0.00 O ATOM 1551 CB GLN A 99 1.400 -6.706 -1.852 1.00 0.00 C ATOM 1552 CG GLN A 99 2.816 -6.377 -2.327 1.00 0.00 C ATOM 1553 CD GLN A 99 3.076 -6.957 -3.719 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.396 -7.858 -4.181 1.00 0.00 O ATOM 1555 NE2 GLN A 99 4.094 -6.390 -4.360 1.00 0.00 N ATOM 0 H GLN A 99 0.205 -4.799 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 99 0.807 -5.437 -3.457 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.340 -6.590 -0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.171 -7.748 -2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.954 -5.296 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.543 -6.778 -1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.622 -5.639 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.346 -6.706 -5.297 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.780 -6.665 -1.867 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.038 -7.370 -2.041 1.00 0.00 C ATOM 1566 C GLU A 100 -4.038 -6.492 -2.796 1.00 0.00 C ATOM 1567 O GLU A 100 -5.073 -6.976 -3.253 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.608 -7.816 -0.693 1.00 0.00 C ATOM 1569 CG GLU A 100 -4.748 -6.898 -0.249 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.026 -7.054 1.248 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.156 -8.218 1.683 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -5.102 -6.004 1.922 1.00 0.00 O ATOM 0 H GLU A 100 -1.640 -6.267 -0.939 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.851 -8.266 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.970 -8.841 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.819 -7.812 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -4.492 -5.862 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.649 -7.131 -0.816 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.695 -5.217 -2.903 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.550 -4.267 -3.594 1.00 0.00 C ATOM 1581 C GLY A 101 -4.557 -4.531 -5.101 1.00 0.00 C ATOM 1582 O GLY A 101 -5.605 -4.814 -5.680 1.00 0.00 O ATOM 0 H GLY A 101 -2.836 -4.819 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.566 -4.336 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.203 -3.252 -3.401 1.00 0.00 H new ATOM 1586 N THR A 102 -3.376 -4.430 -5.693 1.00 0.00 N ATOM 1587 CA THR A 102 -3.233 -4.655 -7.121 1.00 0.00 C ATOM 1588 C THR A 102 -3.881 -5.982 -7.520 1.00 0.00 C ATOM 1589 O THR A 102 -4.475 -6.090 -8.592 1.00 0.00 O ATOM 1590 CB THR A 102 -1.744 -4.578 -7.465 1.00 0.00 C ATOM 1591 OG1 THR A 102 -1.159 -5.635 -6.710 1.00 0.00 O ATOM 1592 CG2 THR A 102 -1.080 -3.314 -6.914 1.00 0.00 C ATOM 0 H THR A 102 -2.509 -4.195 -5.209 1.00 0.00 H new ATOM 0 HA THR A 102 -3.754 -3.890 -7.696 1.00 0.00 H new ATOM 0 HB THR A 102 -1.619 -4.611 -8.547 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.193 -5.659 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.025 -3.309 -7.186 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.567 -2.434 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.175 -3.297 -5.828 1.00 0.00 H new ATOM 1600 N VAL A 103 -3.746 -6.959 -6.635 1.00 0.00 N ATOM 1601 CA VAL A 103 -4.311 -8.275 -6.881 1.00 0.00 C ATOM 1602 C VAL A 103 -5.762 -8.301 -6.398 1.00 0.00 C ATOM 1603 O VAL A 103 -6.370 -7.252 -6.190 1.00 0.00 O ATOM 1604 CB VAL A 103 -3.442 -9.349 -6.223 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -1.999 -9.269 -6.723 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -3.501 -9.243 -4.698 1.00 0.00 C ATOM 0 H VAL A 103 -3.254 -6.866 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 103 -4.320 -8.493 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 103 -3.841 -10.323 -6.507 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.403 -10.043 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.979 -9.417 -7.803 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.585 -8.290 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.875 -10.017 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.140 -8.263 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.530 -9.373 -4.364 1.00 0.00 H new