USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 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 -176:sc= -0.796 (180deg=-0.821) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 120:sc= 1.68 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -6.43! C(o=-6.4!,f=-12!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.769 K(o=-0.77,f=-3.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0276 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0642 F(o=-0.59,f=-0.064) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0608 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -3.47 X(o=-3.5,f=-3.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 173:sc= 0 (180deg=-0.0888) 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= -0.356 X(o=-0.36,f=-0.1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 92:sc= -4.8! USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.63) USER MOD Single : A 102 THR OG1 : rot -21:sc= -0.155! USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.002 -0.008 5.647 1.00 0.00 N ATOM 92 CA MET A 10 -5.830 0.723 6.098 1.00 0.00 C ATOM 93 C MET A 10 -6.070 2.233 6.043 1.00 0.00 C ATOM 94 O MET A 10 -6.837 2.713 5.210 1.00 0.00 O ATOM 95 CB MET A 10 -4.633 0.364 5.215 1.00 0.00 C ATOM 96 CG MET A 10 -3.590 -0.433 6.001 1.00 0.00 C ATOM 97 SD MET A 10 -2.880 0.587 7.282 1.00 0.00 S ATOM 98 CE MET A 10 -1.679 -0.549 7.954 1.00 0.00 C ATOM 0 HA MET A 10 -5.627 0.444 7.132 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.971 -0.219 4.358 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.180 1.275 4.823 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.052 -1.316 6.442 1.00 0.00 H new ATOM 0 HG3 MET A 10 -2.807 -0.785 5.329 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.191 -0.095 8.816 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.179 -1.467 8.262 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.932 -0.780 7.195 1.00 0.00 H new ATOM 108 N SER A 11 -5.401 2.939 6.942 1.00 0.00 N ATOM 109 CA SER A 11 -5.532 4.385 7.007 1.00 0.00 C ATOM 110 C SER A 11 -4.624 4.944 8.104 1.00 0.00 C ATOM 111 O SER A 11 -4.381 4.282 9.112 1.00 0.00 O ATOM 112 CB SER A 11 -6.984 4.795 7.259 1.00 0.00 C ATOM 113 OG SER A 11 -7.554 4.092 8.360 1.00 0.00 O ATOM 0 H SER A 11 -4.766 2.537 7.632 1.00 0.00 H new ATOM 0 HA SER A 11 -5.227 4.800 6.046 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.030 5.867 7.450 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.575 4.606 6.363 1.00 0.00 H new ATOM 0 HG SER A 11 -8.481 4.383 8.490 1.00 0.00 H new ATOM 119 N GLY A 12 -4.147 6.158 7.871 1.00 0.00 N ATOM 120 CA GLY A 12 -3.272 6.814 8.827 1.00 0.00 C ATOM 121 C GLY A 12 -2.245 7.696 8.114 1.00 0.00 C ATOM 122 O GLY A 12 -2.004 7.533 6.919 1.00 0.00 O ATOM 0 H GLY A 12 -4.350 6.704 7.034 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.865 7.421 9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.758 6.065 9.429 1.00 0.00 H new ATOM 126 N TYR A 13 -1.667 8.612 8.878 1.00 0.00 N ATOM 127 CA TYR A 13 -0.671 9.520 8.334 1.00 0.00 C ATOM 128 C TYR A 13 0.598 8.766 7.933 1.00 0.00 C ATOM 129 O TYR A 13 1.091 7.927 8.686 1.00 0.00 O ATOM 130 CB TYR A 13 -0.333 10.499 9.461 1.00 0.00 C ATOM 131 CG TYR A 13 -1.407 11.561 9.705 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.629 12.547 8.766 1.00 0.00 C ATOM 133 CD2 TYR A 13 -2.153 11.533 10.866 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.640 13.546 8.996 1.00 0.00 C ATOM 135 CE2 TYR A 13 -3.164 12.532 11.096 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.357 13.490 10.150 1.00 0.00 C ATOM 137 OH TYR A 13 -4.312 14.434 10.367 1.00 0.00 O ATOM 0 H TYR A 13 -1.869 8.745 9.869 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.054 10.021 7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.176 9.937 10.382 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.608 10.996 9.227 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.044 12.570 7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.978 10.762 11.602 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.825 14.322 8.268 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.756 12.521 11.999 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.745 14.269 11.231 1.00 0.00 H new ATOM 147 N LEU A 14 1.091 9.090 6.746 1.00 0.00 N ATOM 148 CA LEU A 14 2.293 8.454 6.235 1.00 0.00 C ATOM 149 C LEU A 14 3.204 9.516 5.617 1.00 0.00 C ATOM 150 O LEU A 14 2.729 10.551 5.152 1.00 0.00 O ATOM 151 CB LEU A 14 1.931 7.319 5.275 1.00 0.00 C ATOM 152 CG LEU A 14 1.253 6.100 5.902 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.571 5.242 4.834 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.245 5.291 6.740 1.00 0.00 C ATOM 0 H LEU A 14 0.679 9.785 6.124 1.00 0.00 H new ATOM 0 HA LEU A 14 2.852 7.988 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.273 7.719 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.842 6.987 4.777 1.00 0.00 H new ATOM 0 HG LEU A 14 0.474 6.453 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.097 4.382 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.184 5.835 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.314 4.897 4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.737 4.430 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.062 4.948 6.106 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.643 5.918 7.538 1.00 0.00 H new ATOM 166 N TYR A 15 4.496 9.224 5.633 1.00 0.00 N ATOM 167 CA TYR A 15 5.478 10.141 5.079 1.00 0.00 C ATOM 168 C TYR A 15 5.812 9.778 3.631 1.00 0.00 C ATOM 169 O TYR A 15 6.399 8.729 3.370 1.00 0.00 O ATOM 170 CB TYR A 15 6.735 9.980 5.936 1.00 0.00 C ATOM 171 CG TYR A 15 6.608 10.567 7.344 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.194 11.872 7.512 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.907 9.790 8.444 1.00 0.00 C ATOM 174 CE1 TYR A 15 6.075 12.425 8.837 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.787 10.342 9.769 1.00 0.00 C ATOM 176 CZ TYR A 15 6.377 11.632 9.900 1.00 0.00 C ATOM 177 OH TYR A 15 6.264 12.153 11.151 1.00 0.00 O ATOM 0 H TYR A 15 4.886 8.365 6.021 1.00 0.00 H new ATOM 0 HA TYR A 15 5.096 11.162 5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.975 8.920 6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.572 10.459 5.428 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.959 12.479 6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.231 8.768 8.312 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.753 13.446 8.983 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.017 9.745 10.639 1.00 0.00 H new ATOM 0 HH TYR A 15 6.511 11.473 11.812 1.00 0.00 H new ATOM 187 N ARG A 16 5.424 10.666 2.727 1.00 0.00 N ATOM 188 CA ARG A 16 5.676 10.452 1.312 1.00 0.00 C ATOM 189 C ARG A 16 6.991 11.116 0.900 1.00 0.00 C ATOM 190 O ARG A 16 7.299 12.221 1.347 1.00 0.00 O ATOM 191 CB ARG A 16 4.538 11.017 0.459 1.00 0.00 C ATOM 192 CG ARG A 16 4.783 10.751 -1.027 1.00 0.00 C ATOM 193 CD ARG A 16 3.468 10.754 -1.809 1.00 0.00 C ATOM 194 NE ARG A 16 2.848 12.097 -1.750 1.00 0.00 N ATOM 195 CZ ARG A 16 3.272 13.152 -2.459 1.00 0.00 C ATOM 196 NH1 ARG A 16 4.319 13.027 -3.285 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.648 14.332 -2.343 1.00 0.00 N ATOM 0 H ARG A 16 4.937 11.535 2.947 1.00 0.00 H new ATOM 0 HA ARG A 16 5.741 9.377 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.593 10.566 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.448 12.090 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.452 11.511 -1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.281 9.790 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.651 10.474 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.787 10.011 -1.394 1.00 0.00 H new ATOM 0 HE ARG A 16 2.048 12.227 -1.131 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.794 12.129 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.642 13.830 -3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.850 14.427 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.971 15.135 -2.883 1.00 0.00 H new ATOM 211 N SER A 17 7.731 10.416 0.054 1.00 0.00 N ATOM 212 CA SER A 17 9.006 10.924 -0.423 1.00 0.00 C ATOM 213 C SER A 17 9.204 10.546 -1.892 1.00 0.00 C ATOM 214 O SER A 17 8.461 9.727 -2.432 1.00 0.00 O ATOM 215 CB SER A 17 10.163 10.389 0.423 1.00 0.00 C ATOM 216 OG SER A 17 11.047 9.571 -0.338 1.00 0.00 O ATOM 0 H SER A 17 7.472 9.501 -0.314 1.00 0.00 H new ATOM 0 HA SER A 17 8.997 12.010 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.718 11.225 0.848 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.765 9.813 1.259 1.00 0.00 H new ATOM 0 HG SER A 17 11.947 9.959 -0.323 1.00 0.00 H new ATOM 222 N LYS A 18 10.209 11.160 -2.498 1.00 0.00 N ATOM 223 CA LYS A 18 10.513 10.898 -3.895 1.00 0.00 C ATOM 224 C LYS A 18 11.754 10.008 -3.983 1.00 0.00 C ATOM 225 O LYS A 18 12.432 9.982 -5.009 1.00 0.00 O ATOM 226 CB LYS A 18 10.642 12.211 -4.671 1.00 0.00 C ATOM 227 CG LYS A 18 9.302 12.615 -5.290 1.00 0.00 C ATOM 228 CD LYS A 18 9.449 12.877 -6.790 1.00 0.00 C ATOM 229 CE LYS A 18 8.800 14.206 -7.180 1.00 0.00 C ATOM 230 NZ LYS A 18 9.228 14.613 -8.538 1.00 0.00 N ATOM 0 H LYS A 18 10.823 11.838 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 18 9.695 10.354 -4.368 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.991 12.999 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.391 12.102 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.568 11.826 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.924 13.510 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.505 12.891 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.988 12.064 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.715 14.111 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.074 14.977 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.778 15.517 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.262 14.723 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.945 13.885 -9.224 1.00 0.00 H new ATOM 244 N GLY A 19 12.014 9.300 -2.894 1.00 0.00 N ATOM 245 CA GLY A 19 13.161 8.410 -2.836 1.00 0.00 C ATOM 246 C GLY A 19 14.037 8.723 -1.620 1.00 0.00 C ATOM 247 O GLY A 19 13.568 9.316 -0.650 1.00 0.00 O ATOM 0 H GLY A 19 11.450 9.325 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.821 7.376 -2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.750 8.509 -3.748 1.00 0.00 H new ATOM 251 N SER A 20 15.292 8.311 -1.714 1.00 0.00 N ATOM 252 CA SER A 20 16.237 8.540 -0.634 1.00 0.00 C ATOM 253 C SER A 20 16.902 9.908 -0.802 1.00 0.00 C ATOM 254 O SER A 20 17.069 10.387 -1.922 1.00 0.00 O ATOM 255 CB SER A 20 17.297 7.437 -0.586 1.00 0.00 C ATOM 256 OG SER A 20 16.777 6.220 -0.057 1.00 0.00 O ATOM 0 H SER A 20 15.677 7.820 -2.521 1.00 0.00 H new ATOM 0 HA SER A 20 15.690 8.522 0.309 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.682 7.260 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.137 7.768 0.024 1.00 0.00 H new ATOM 0 HG SER A 20 17.483 5.541 -0.044 1.00 0.00 H new ATOM 262 N LYS A 21 17.263 10.497 0.329 1.00 0.00 N ATOM 263 CA LYS A 21 17.906 11.800 0.321 1.00 0.00 C ATOM 264 C LYS A 21 16.853 12.881 0.069 1.00 0.00 C ATOM 265 O LYS A 21 17.179 14.065 -0.003 1.00 0.00 O ATOM 266 CB LYS A 21 19.062 11.821 -0.680 1.00 0.00 C ATOM 267 CG LYS A 21 19.831 10.499 -0.658 1.00 0.00 C ATOM 268 CD LYS A 21 21.341 10.741 -0.711 1.00 0.00 C ATOM 269 CE LYS A 21 21.733 11.475 -1.995 1.00 0.00 C ATOM 270 NZ LYS A 21 22.223 10.517 -3.011 1.00 0.00 N ATOM 0 H LYS A 21 17.122 10.096 1.256 1.00 0.00 H new ATOM 0 HA LYS A 21 18.353 12.011 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.676 12.005 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.738 12.643 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.580 9.943 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.528 9.884 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.650 11.326 0.155 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.868 9.788 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.874 12.021 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.507 12.211 -1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 22.485 11.032 -3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.056 10.015 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 21.474 9.830 -3.230 1.00 0.00 H new ATOM 284 N LYS A 22 15.612 12.436 -0.060 1.00 0.00 N ATOM 285 CA LYS A 22 14.510 13.351 -0.303 1.00 0.00 C ATOM 286 C LYS A 22 13.776 13.620 1.012 1.00 0.00 C ATOM 287 O LYS A 22 13.834 12.810 1.936 1.00 0.00 O ATOM 288 CB LYS A 22 13.604 12.815 -1.414 1.00 0.00 C ATOM 289 CG LYS A 22 14.188 13.123 -2.794 1.00 0.00 C ATOM 290 CD LYS A 22 13.579 14.400 -3.375 1.00 0.00 C ATOM 291 CE LYS A 22 14.481 14.994 -4.459 1.00 0.00 C ATOM 292 NZ LYS A 22 14.082 16.388 -4.758 1.00 0.00 N ATOM 0 H LYS A 22 15.345 11.453 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 22 14.884 14.310 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.480 11.738 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.613 13.261 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.270 13.234 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.999 12.287 -3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.597 14.181 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.430 15.131 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.520 14.969 -4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.419 14.389 -5.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.704 16.777 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.097 16.403 -5.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.164 16.965 -3.897 1.00 0.00 H new ATOM 306 N PRO A 23 13.085 14.791 1.056 1.00 0.00 N ATOM 307 CA PRO A 23 12.341 15.177 2.243 1.00 0.00 C ATOM 308 C PRO A 23 11.048 14.369 2.366 1.00 0.00 C ATOM 309 O PRO A 23 10.502 13.908 1.365 1.00 0.00 O ATOM 310 CB PRO A 23 12.097 16.668 2.086 1.00 0.00 C ATOM 311 CG PRO A 23 12.303 16.972 0.611 1.00 0.00 C ATOM 312 CD PRO A 23 12.995 15.774 -0.019 1.00 0.00 C ATOM 0 HA PRO A 23 12.884 14.971 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.088 16.934 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.787 17.244 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.347 17.161 0.123 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.907 17.871 0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.425 15.386 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.982 16.040 -0.396 1.00 0.00 H new ATOM 320 N TRP A 24 10.596 14.221 3.603 1.00 0.00 N ATOM 321 CA TRP A 24 9.377 13.476 3.870 1.00 0.00 C ATOM 322 C TRP A 24 8.208 14.463 3.854 1.00 0.00 C ATOM 323 O TRP A 24 8.401 15.663 4.038 1.00 0.00 O ATOM 324 CB TRP A 24 9.486 12.699 5.183 1.00 0.00 C ATOM 325 CG TRP A 24 10.486 11.542 5.141 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.704 11.484 5.696 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.302 10.271 4.483 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.317 10.273 5.445 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.437 9.512 4.683 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.213 9.779 3.742 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.592 8.216 4.176 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.384 8.482 3.242 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.520 7.705 3.435 1.00 0.00 C ATOM 0 H TRP A 24 11.052 14.604 4.431 1.00 0.00 H new ATOM 0 HA TRP A 24 9.208 12.723 3.100 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.775 13.387 5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.503 12.307 5.444 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.150 12.284 6.268 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.244 9.989 5.760 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.316 10.356 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.490 7.642 4.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.576 8.056 2.666 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.575 6.711 3.015 1.00 0.00 H new ATOM 344 N LYS A 25 7.020 13.919 3.632 1.00 0.00 N ATOM 345 CA LYS A 25 5.819 14.736 3.590 1.00 0.00 C ATOM 346 C LYS A 25 4.710 14.048 4.389 1.00 0.00 C ATOM 347 O LYS A 25 4.315 12.928 4.070 1.00 0.00 O ATOM 348 CB LYS A 25 5.432 15.046 2.142 1.00 0.00 C ATOM 349 CG LYS A 25 5.562 16.542 1.849 1.00 0.00 C ATOM 350 CD LYS A 25 4.394 17.036 0.991 1.00 0.00 C ATOM 351 CE LYS A 25 3.190 17.398 1.862 1.00 0.00 C ATOM 352 NZ LYS A 25 2.952 18.859 1.835 1.00 0.00 N ATOM 0 H LYS A 25 6.864 12.923 3.479 1.00 0.00 H new ATOM 0 HA LYS A 25 5.999 15.702 4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.070 14.482 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.407 14.723 1.958 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.591 17.099 2.786 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.503 16.735 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.705 17.907 0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.111 16.264 0.276 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.304 16.873 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.363 17.071 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.131 19.088 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.792 19.354 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.765 19.162 0.858 1.00 0.00 H new ATOM 366 N HIS A 26 4.240 14.747 5.411 1.00 0.00 N ATOM 367 CA HIS A 26 3.185 14.217 6.258 1.00 0.00 C ATOM 368 C HIS A 26 1.833 14.393 5.563 1.00 0.00 C ATOM 369 O HIS A 26 1.330 15.509 5.449 1.00 0.00 O ATOM 370 CB HIS A 26 3.227 14.861 7.645 1.00 0.00 C ATOM 371 CG HIS A 26 2.037 14.527 8.513 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.004 15.419 8.744 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.727 13.391 9.202 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.118 14.835 9.539 1.00 0.00 C ATOM 375 NE2 HIS A 26 0.568 13.579 9.822 1.00 0.00 N ATOM 0 H HIS A 26 4.570 15.676 5.672 1.00 0.00 H new ATOM 0 HA HIS A 26 3.339 13.149 6.413 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.136 14.543 8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.288 15.943 7.530 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.323 12.491 9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.799 15.277 9.899 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.093 12.897 10.413 1.00 0.00 H new ATOM 383 N LEU A 27 1.283 13.273 5.118 1.00 0.00 N ATOM 384 CA LEU A 27 -0.001 13.288 4.438 1.00 0.00 C ATOM 385 C LEU A 27 -0.865 12.140 4.962 1.00 0.00 C ATOM 386 O LEU A 27 -0.378 11.272 5.685 1.00 0.00 O ATOM 387 CB LEU A 27 0.196 13.267 2.921 1.00 0.00 C ATOM 388 CG LEU A 27 0.559 14.604 2.272 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.496 14.399 1.080 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.699 15.385 1.885 1.00 0.00 C ATOM 0 H LEU A 27 1.703 12.349 5.215 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.535 14.213 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.980 12.547 2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.721 12.900 2.461 1.00 0.00 H new ATOM 0 HG LEU A 27 1.098 15.204 3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.738 15.365 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.412 13.914 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.006 13.771 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.413 16.331 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.286 14.801 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.295 15.580 2.777 1.00 0.00 H new ATOM 402 N TRP A 28 -2.133 12.172 4.577 1.00 0.00 N ATOM 403 CA TRP A 28 -3.069 11.144 5.000 1.00 0.00 C ATOM 404 C TRP A 28 -3.403 10.280 3.782 1.00 0.00 C ATOM 405 O TRP A 28 -3.740 10.801 2.720 1.00 0.00 O ATOM 406 CB TRP A 28 -4.307 11.765 5.650 1.00 0.00 C ATOM 407 CG TRP A 28 -5.266 10.743 6.264 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.254 10.070 5.657 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.288 10.302 7.638 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.908 9.231 6.536 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.302 9.377 7.779 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.478 10.672 8.725 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.601 8.745 8.992 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.789 10.032 9.931 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.807 9.099 10.089 1.00 0.00 C ATOM 0 H TRP A 28 -2.534 12.893 3.977 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.625 10.509 5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.987 12.460 6.426 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.844 12.348 4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.506 10.172 4.612 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.692 8.617 6.315 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.679 11.393 8.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.400 8.024 9.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.196 10.281 10.799 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.985 8.649 11.055 1.00 0.00 H new ATOM 426 N PHE A 29 -3.297 8.974 3.977 1.00 0.00 N ATOM 427 CA PHE A 29 -3.584 8.032 2.908 1.00 0.00 C ATOM 428 C PHE A 29 -4.530 6.929 3.388 1.00 0.00 C ATOM 429 O PHE A 29 -4.355 6.387 4.478 1.00 0.00 O ATOM 430 CB PHE A 29 -2.252 7.402 2.498 1.00 0.00 C ATOM 431 CG PHE A 29 -1.247 8.396 1.913 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.259 8.670 0.581 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.342 9.005 2.725 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.326 9.593 0.038 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.591 9.928 2.182 1.00 0.00 C ATOM 436 CZ PHE A 29 0.579 10.203 0.850 1.00 0.00 C ATOM 0 H PHE A 29 -3.016 8.546 4.859 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.063 8.548 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.806 6.921 3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.443 6.619 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.978 8.186 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.333 8.787 3.783 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.335 9.811 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.310 10.411 2.827 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.288 10.905 0.437 1.00 0.00 H new ATOM 446 N VAL A 30 -5.512 6.631 2.551 1.00 0.00 N ATOM 447 CA VAL A 30 -6.486 5.602 2.876 1.00 0.00 C ATOM 448 C VAL A 30 -6.590 4.617 1.710 1.00 0.00 C ATOM 449 O VAL A 30 -6.302 4.970 0.567 1.00 0.00 O ATOM 450 CB VAL A 30 -7.827 6.246 3.235 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.942 5.200 3.284 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.732 7.009 4.558 1.00 0.00 C ATOM 0 H VAL A 30 -5.655 7.084 1.648 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.166 5.037 3.752 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.075 6.963 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.884 5.684 3.541 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.035 4.721 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.703 4.448 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.698 7.457 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.450 6.321 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.980 7.793 4.473 1.00 0.00 H new ATOM 462 N ILE A 31 -7.001 3.402 2.039 1.00 0.00 N ATOM 463 CA ILE A 31 -7.146 2.363 1.033 1.00 0.00 C ATOM 464 C ILE A 31 -8.619 1.958 0.933 1.00 0.00 C ATOM 465 O ILE A 31 -9.062 1.040 1.620 1.00 0.00 O ATOM 466 CB ILE A 31 -6.206 1.193 1.331 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.744 1.604 1.143 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.571 -0.031 0.490 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.802 0.450 1.492 1.00 0.00 C ATOM 0 H ILE A 31 -7.238 3.113 2.988 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.850 2.738 0.053 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.329 0.912 2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.579 1.914 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.520 2.465 1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.888 -0.848 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.592 -0.337 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.494 0.218 -0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.769 0.768 1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.953 0.159 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.012 -0.400 0.843 1.00 0.00 H new ATOM 481 N LYS A 32 -9.336 2.664 0.070 1.00 0.00 N ATOM 482 CA LYS A 32 -10.749 2.390 -0.129 1.00 0.00 C ATOM 483 C LYS A 32 -10.979 1.945 -1.575 1.00 0.00 C ATOM 484 O LYS A 32 -10.367 2.482 -2.497 1.00 0.00 O ATOM 485 CB LYS A 32 -11.592 3.597 0.285 1.00 0.00 C ATOM 486 CG LYS A 32 -13.016 3.485 -0.263 1.00 0.00 C ATOM 487 CD LYS A 32 -13.956 4.461 0.447 1.00 0.00 C ATOM 488 CE LYS A 32 -14.301 3.965 1.853 1.00 0.00 C ATOM 489 NZ LYS A 32 -14.680 5.099 2.724 1.00 0.00 N ATOM 0 H LYS A 32 -8.965 3.425 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.072 1.570 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.622 3.669 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.128 4.512 -0.082 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.014 3.690 -1.334 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.380 2.466 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.487 5.443 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.870 4.580 -0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.121 3.249 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.446 3.441 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.911 4.745 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.887 5.768 2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.509 5.582 2.324 1.00 0.00 H new ATOM 503 N ASN A 33 -11.862 0.970 -1.727 1.00 0.00 N ATOM 504 CA ASN A 33 -12.180 0.447 -3.045 1.00 0.00 C ATOM 505 C ASN A 33 -10.884 0.076 -3.768 1.00 0.00 C ATOM 506 O ASN A 33 -10.739 0.336 -4.962 1.00 0.00 O ATOM 507 CB ASN A 33 -12.911 1.493 -3.890 1.00 0.00 C ATOM 508 CG ASN A 33 -13.524 0.857 -5.139 1.00 0.00 C ATOM 509 OD1 ASN A 33 -13.190 -0.249 -5.532 1.00 0.00 O ATOM 510 ND2 ASN A 33 -14.436 1.615 -5.740 1.00 0.00 N ATOM 0 H ASN A 33 -12.368 0.528 -0.959 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.821 -0.425 -2.917 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.694 1.964 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.216 2.280 -4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.903 1.280 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.669 2.532 -5.358 1.00 0.00 H new ATOM 517 N LYS A 34 -9.975 -0.525 -3.015 1.00 0.00 N ATOM 518 CA LYS A 34 -8.696 -0.935 -3.570 1.00 0.00 C ATOM 519 C LYS A 34 -8.043 0.258 -4.270 1.00 0.00 C ATOM 520 O LYS A 34 -7.180 0.083 -5.129 1.00 0.00 O ATOM 521 CB LYS A 34 -8.870 -2.158 -4.472 1.00 0.00 C ATOM 522 CG LYS A 34 -7.998 -3.321 -3.994 1.00 0.00 C ATOM 523 CD LYS A 34 -8.684 -4.664 -4.252 1.00 0.00 C ATOM 524 CE LYS A 34 -7.656 -5.759 -4.539 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.101 -7.050 -3.969 1.00 0.00 N ATOM 0 H LYS A 34 -10.098 -0.738 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.019 -1.248 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.917 -2.463 -4.480 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.606 -1.899 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.037 -3.295 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.793 -3.212 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.284 -4.942 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.367 -4.571 -5.096 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.514 -5.860 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.691 -5.481 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.391 -7.783 -4.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.214 -6.954 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.011 -7.322 -4.393 1.00 0.00 H new ATOM 539 N VAL A 35 -8.481 1.446 -3.878 1.00 0.00 N ATOM 540 CA VAL A 35 -7.950 2.668 -4.458 1.00 0.00 C ATOM 541 C VAL A 35 -7.231 3.472 -3.373 1.00 0.00 C ATOM 542 O VAL A 35 -7.798 3.739 -2.315 1.00 0.00 O ATOM 543 CB VAL A 35 -9.072 3.454 -5.140 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.557 4.792 -5.674 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.718 2.630 -6.255 1.00 0.00 C ATOM 0 H VAL A 35 -9.197 1.588 -3.166 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.217 2.437 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.837 3.664 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.374 5.331 -6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.165 5.387 -4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.764 4.613 -6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.512 3.211 -6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.966 2.375 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.137 1.715 -5.835 1.00 0.00 H new ATOM 555 N LEU A 36 -5.992 3.834 -3.672 1.00 0.00 N ATOM 556 CA LEU A 36 -5.190 4.602 -2.736 1.00 0.00 C ATOM 557 C LEU A 36 -5.552 6.084 -2.856 1.00 0.00 C ATOM 558 O LEU A 36 -5.011 6.791 -3.704 1.00 0.00 O ATOM 559 CB LEU A 36 -3.701 4.314 -2.943 1.00 0.00 C ATOM 560 CG LEU A 36 -2.736 5.101 -2.055 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.505 6.508 -2.610 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.223 5.129 -0.605 1.00 0.00 C ATOM 0 H LEU A 36 -5.524 3.609 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.410 4.302 -1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.531 3.250 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.453 4.518 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.773 4.590 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.815 7.047 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.081 6.439 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.454 7.042 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.518 5.695 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.204 5.602 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.294 4.110 -0.225 1.00 0.00 H new ATOM 574 N TYR A 37 -6.464 6.509 -1.994 1.00 0.00 N ATOM 575 CA TYR A 37 -6.904 7.894 -1.993 1.00 0.00 C ATOM 576 C TYR A 37 -5.906 8.786 -1.253 1.00 0.00 C ATOM 577 O TYR A 37 -5.205 8.326 -0.353 1.00 0.00 O ATOM 578 CB TYR A 37 -8.238 7.911 -1.244 1.00 0.00 C ATOM 579 CG TYR A 37 -9.421 7.396 -2.068 1.00 0.00 C ATOM 580 CD1 TYR A 37 -10.032 8.222 -2.989 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.876 6.106 -1.889 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.144 7.738 -3.764 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.989 5.622 -2.664 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.568 6.461 -3.563 1.00 0.00 C ATOM 585 OH TYR A 37 -12.619 6.004 -4.295 1.00 0.00 O ATOM 0 H TYR A 37 -6.910 5.919 -1.292 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.991 8.270 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.145 7.305 -0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.449 8.931 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.676 9.232 -3.128 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.398 5.460 -1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.631 8.374 -4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.356 4.615 -2.534 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.811 5.076 -4.047 1.00 0.00 H new ATOM 595 N THR A 38 -5.873 10.047 -1.659 1.00 0.00 N ATOM 596 CA THR A 38 -4.972 11.008 -1.046 1.00 0.00 C ATOM 597 C THR A 38 -5.752 11.973 -0.151 1.00 0.00 C ATOM 598 O THR A 38 -6.844 12.412 -0.508 1.00 0.00 O ATOM 599 CB THR A 38 -4.195 11.707 -2.162 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.540 10.643 -2.848 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.049 12.568 -1.628 1.00 0.00 C ATOM 0 H THR A 38 -6.456 10.425 -2.405 1.00 0.00 H new ATOM 0 HA THR A 38 -4.254 10.515 -0.391 1.00 0.00 H new ATOM 0 HB THR A 38 -4.876 12.330 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.014 11.007 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.530 13.041 -2.462 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.449 13.336 -0.966 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.350 11.941 -1.075 1.00 0.00 H new ATOM 609 N TYR A 39 -5.160 12.277 0.995 1.00 0.00 N ATOM 610 CA TYR A 39 -5.785 13.183 1.944 1.00 0.00 C ATOM 611 C TYR A 39 -4.739 14.057 2.638 1.00 0.00 C ATOM 612 O TYR A 39 -3.552 13.977 2.325 1.00 0.00 O ATOM 613 CB TYR A 39 -6.466 12.296 2.988 1.00 0.00 C ATOM 614 CG TYR A 39 -7.746 11.621 2.492 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.889 12.370 2.295 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.759 10.264 2.241 1.00 0.00 C ATOM 617 CE1 TYR A 39 -10.094 11.735 1.828 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.964 9.629 1.774 1.00 0.00 C ATOM 619 CZ TYR A 39 -10.072 10.396 1.591 1.00 0.00 C ATOM 620 OH TYR A 39 -11.211 9.797 1.150 1.00 0.00 O ATOM 0 H TYR A 39 -4.254 11.912 1.288 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.486 13.846 1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.764 11.527 3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.702 12.900 3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.879 13.432 2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.865 9.678 2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.995 12.309 1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.987 8.568 1.574 1.00 0.00 H new ATOM 0 HH TYR A 39 -11.048 8.839 1.022 1.00 0.00 H new ATOM 630 N ALA A 40 -5.217 14.870 3.568 1.00 0.00 N ATOM 631 CA ALA A 40 -4.338 15.758 4.310 1.00 0.00 C ATOM 632 C ALA A 40 -4.615 15.609 5.807 1.00 0.00 C ATOM 633 O ALA A 40 -3.686 15.496 6.606 1.00 0.00 O ATOM 634 CB ALA A 40 -4.532 17.195 3.821 1.00 0.00 C ATOM 0 H ALA A 40 -6.202 14.933 3.825 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.294 15.494 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.873 17.861 4.378 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.294 17.253 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.568 17.496 3.978 1.00 0.00 H new ATOM 640 N ALA A 41 -5.897 15.615 6.142 1.00 0.00 N ATOM 641 CA ALA A 41 -6.308 15.482 7.530 1.00 0.00 C ATOM 642 C ALA A 41 -7.014 14.138 7.722 1.00 0.00 C ATOM 643 O ALA A 41 -7.396 13.489 6.749 1.00 0.00 O ATOM 644 CB ALA A 41 -7.195 16.667 7.915 1.00 0.00 C ATOM 0 H ALA A 41 -6.664 15.710 5.477 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.441 15.496 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.503 16.568 8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.637 17.595 7.789 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.077 16.684 7.275 1.00 0.00 H new ATOM 688 N VAL A 45 -12.660 16.568 4.553 1.00 0.00 N ATOM 689 CA VAL A 45 -13.996 16.705 3.999 1.00 0.00 C ATOM 690 C VAL A 45 -14.018 16.124 2.583 1.00 0.00 C ATOM 691 O VAL A 45 -15.085 15.841 2.041 1.00 0.00 O ATOM 692 CB VAL A 45 -14.437 18.169 4.051 1.00 0.00 C ATOM 693 CG1 VAL A 45 -15.374 18.418 5.235 1.00 0.00 C ATOM 694 CG2 VAL A 45 -13.227 19.104 4.103 1.00 0.00 C ATOM 0 HA VAL A 45 -14.715 16.142 4.593 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.989 18.386 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.672 19.466 5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.259 17.790 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.858 18.175 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.568 20.139 4.139 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.636 18.885 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.614 18.955 3.214 1.00 0.00 H new ATOM 704 N ALA A 46 -12.827 15.964 2.025 1.00 0.00 N ATOM 705 CA ALA A 46 -12.696 15.422 0.684 1.00 0.00 C ATOM 706 C ALA A 46 -11.248 14.987 0.453 1.00 0.00 C ATOM 707 O ALA A 46 -10.325 15.558 1.032 1.00 0.00 O ATOM 708 CB ALA A 46 -13.161 16.464 -0.336 1.00 0.00 C ATOM 0 H ALA A 46 -11.944 16.200 2.478 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.328 14.542 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.063 16.057 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.204 16.717 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.548 17.361 -0.246 1.00 0.00 H new ATOM 714 N ALA A 47 -11.094 13.980 -0.394 1.00 0.00 N ATOM 715 CA ALA A 47 -9.773 13.461 -0.708 1.00 0.00 C ATOM 716 C ALA A 47 -9.086 14.397 -1.705 1.00 0.00 C ATOM 717 O ALA A 47 -9.730 14.927 -2.609 1.00 0.00 O ATOM 718 CB ALA A 47 -9.898 12.033 -1.241 1.00 0.00 C ATOM 0 H ALA A 47 -11.862 13.509 -0.873 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.154 13.421 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.907 11.644 -1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.365 11.402 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.511 12.033 -2.142 1.00 0.00 H new ATOM 724 N LEU A 48 -7.788 14.572 -1.506 1.00 0.00 N ATOM 725 CA LEU A 48 -7.007 15.435 -2.376 1.00 0.00 C ATOM 726 C LEU A 48 -6.919 14.803 -3.767 1.00 0.00 C ATOM 727 O LEU A 48 -6.995 15.503 -4.776 1.00 0.00 O ATOM 728 CB LEU A 48 -5.644 15.736 -1.750 1.00 0.00 C ATOM 729 CG LEU A 48 -5.668 16.261 -0.313 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.250 16.391 0.247 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.443 17.577 -0.223 1.00 0.00 C ATOM 0 H LEU A 48 -7.257 14.131 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.497 16.401 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.046 14.825 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.133 16.468 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.194 15.535 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.296 16.766 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.765 15.415 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.678 17.085 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.445 17.928 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.968 18.323 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.469 17.418 -0.554 1.00 0.00 H new ATOM 743 N GLU A 49 -6.759 13.488 -3.776 1.00 0.00 N ATOM 744 CA GLU A 49 -6.659 12.755 -5.026 1.00 0.00 C ATOM 745 C GLU A 49 -7.150 11.318 -4.839 1.00 0.00 C ATOM 746 O GLU A 49 -7.343 10.865 -3.712 1.00 0.00 O ATOM 747 CB GLU A 49 -5.226 12.779 -5.563 1.00 0.00 C ATOM 748 CG GLU A 49 -4.953 14.069 -6.338 1.00 0.00 C ATOM 749 CD GLU A 49 -3.599 14.005 -7.049 1.00 0.00 C ATOM 750 OE1 GLU A 49 -3.336 12.955 -7.674 1.00 0.00 O ATOM 751 OE2 GLU A 49 -2.859 15.007 -6.952 1.00 0.00 O ATOM 0 H GLU A 49 -6.696 12.911 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.296 13.244 -5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.522 12.692 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.063 11.919 -6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.745 14.233 -7.069 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.969 14.918 -5.655 1.00 0.00 H new ATOM 758 N SER A 50 -7.340 10.641 -5.962 1.00 0.00 N ATOM 759 CA SER A 50 -7.806 9.264 -5.936 1.00 0.00 C ATOM 760 C SER A 50 -7.111 8.456 -7.034 1.00 0.00 C ATOM 761 O SER A 50 -7.237 8.772 -8.216 1.00 0.00 O ATOM 762 CB SER A 50 -9.324 9.193 -6.106 1.00 0.00 C ATOM 763 OG SER A 50 -9.818 10.236 -6.943 1.00 0.00 O ATOM 0 H SER A 50 -7.180 11.020 -6.895 1.00 0.00 H new ATOM 0 HA SER A 50 -7.556 8.837 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.596 8.227 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.801 9.256 -5.128 1.00 0.00 H new ATOM 0 HG SER A 50 -10.791 10.154 -7.028 1.00 0.00 H new ATOM 769 N GLN A 51 -6.393 7.429 -6.604 1.00 0.00 N ATOM 770 CA GLN A 51 -5.678 6.573 -7.536 1.00 0.00 C ATOM 771 C GLN A 51 -5.896 5.102 -7.179 1.00 0.00 C ATOM 772 O GLN A 51 -5.763 4.714 -6.019 1.00 0.00 O ATOM 773 CB GLN A 51 -4.188 6.916 -7.563 1.00 0.00 C ATOM 774 CG GLN A 51 -3.913 8.095 -8.498 1.00 0.00 C ATOM 775 CD GLN A 51 -3.338 7.614 -9.832 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.246 7.109 -10.662 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -2.148 7.697 -10.091 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.291 7.170 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.075 6.746 -8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.849 7.159 -6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.617 6.047 -7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.836 8.647 -8.674 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.214 8.784 -8.024 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.504 8.096 -9.408 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.798 7.368 -10.991 1.00 0.00 H new ATOM 786 N PRO A 52 -6.236 4.301 -8.224 1.00 0.00 N ATOM 787 CA PRO A 52 -6.473 2.880 -8.033 1.00 0.00 C ATOM 788 C PRO A 52 -5.156 2.126 -7.838 1.00 0.00 C ATOM 789 O PRO A 52 -4.222 2.287 -8.621 1.00 0.00 O ATOM 790 CB PRO A 52 -7.233 2.437 -9.272 1.00 0.00 C ATOM 791 CG PRO A 52 -6.988 3.513 -10.318 1.00 0.00 C ATOM 792 CD PRO A 52 -6.402 4.725 -9.611 1.00 0.00 C ATOM 0 HA PRO A 52 -7.049 2.667 -7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.880 1.466 -9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.297 2.333 -9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.304 3.151 -11.085 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.919 3.777 -10.820 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.449 5.018 -10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.066 5.586 -9.685 1.00 0.00 H new ATOM 800 N LEU A 53 -5.124 1.317 -6.788 1.00 0.00 N ATOM 801 CA LEU A 53 -3.937 0.538 -6.480 1.00 0.00 C ATOM 802 C LEU A 53 -3.723 -0.511 -7.574 1.00 0.00 C ATOM 803 O LEU A 53 -2.615 -1.017 -7.745 1.00 0.00 O ATOM 804 CB LEU A 53 -4.035 -0.054 -5.072 1.00 0.00 C ATOM 805 CG LEU A 53 -3.688 0.893 -3.922 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.337 0.431 -2.616 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.172 1.054 -3.783 1.00 0.00 C ATOM 0 H LEU A 53 -5.901 1.185 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.054 1.177 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.051 -0.419 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.374 -0.919 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.097 1.876 -4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.074 1.122 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.420 0.409 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.980 -0.568 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.952 1.732 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.720 0.082 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.763 1.462 -4.707 1.00 0.00 H new ATOM 819 N LEU A 54 -4.801 -0.806 -8.285 1.00 0.00 N ATOM 820 CA LEU A 54 -4.745 -1.785 -9.358 1.00 0.00 C ATOM 821 C LEU A 54 -3.733 -1.325 -10.409 1.00 0.00 C ATOM 822 O LEU A 54 -3.811 -0.201 -10.901 1.00 0.00 O ATOM 823 CB LEU A 54 -6.144 -2.042 -9.922 1.00 0.00 C ATOM 824 CG LEU A 54 -6.325 -3.351 -10.693 1.00 0.00 C ATOM 825 CD1 LEU A 54 -7.807 -3.640 -10.942 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.519 -3.337 -11.993 1.00 0.00 C ATOM 0 H LEU A 54 -5.718 -0.385 -8.139 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.398 -2.746 -8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.855 -2.028 -9.096 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.406 -1.215 -10.582 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.936 -4.165 -10.081 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.908 -4.576 -11.492 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.327 -3.722 -9.988 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.243 -2.828 -11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.665 -4.279 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.856 -2.512 -12.621 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.461 -3.210 -11.764 1.00 0.00 H new ATOM 838 N GLY A 55 -2.807 -2.219 -10.723 1.00 0.00 N ATOM 839 CA GLY A 55 -1.781 -1.920 -11.707 1.00 0.00 C ATOM 840 C GLY A 55 -0.456 -1.565 -11.028 1.00 0.00 C ATOM 841 O GLY A 55 0.606 -2.007 -11.463 1.00 0.00 O ATOM 0 H GLY A 55 -2.746 -3.151 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.639 -2.779 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.105 -1.090 -12.335 1.00 0.00 H new ATOM 845 N PHE A 56 -0.563 -0.771 -9.973 1.00 0.00 N ATOM 846 CA PHE A 56 0.613 -0.352 -9.229 1.00 0.00 C ATOM 847 C PHE A 56 1.297 -1.549 -8.566 1.00 0.00 C ATOM 848 O PHE A 56 0.870 -2.689 -8.743 1.00 0.00 O ATOM 849 CB PHE A 56 0.135 0.613 -8.143 1.00 0.00 C ATOM 850 CG PHE A 56 -0.094 2.043 -8.638 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.288 2.388 -9.191 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.896 2.968 -8.525 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.500 3.715 -9.650 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.684 4.295 -8.985 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.510 4.640 -9.537 1.00 0.00 C ATOM 0 H PHE A 56 -1.446 -0.407 -9.615 1.00 0.00 H new ATOM 0 HA PHE A 56 1.332 0.116 -9.902 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.794 0.234 -7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.870 0.631 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.074 1.653 -9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.844 2.694 -8.085 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.448 3.990 -10.089 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.471 5.030 -8.896 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.672 5.649 -9.886 1.00 0.00 H new ATOM 865 N THR A 57 2.347 -1.249 -7.816 1.00 0.00 N ATOM 866 CA THR A 57 3.095 -2.286 -7.125 1.00 0.00 C ATOM 867 C THR A 57 3.784 -1.711 -5.887 1.00 0.00 C ATOM 868 O THR A 57 3.811 -0.496 -5.694 1.00 0.00 O ATOM 869 CB THR A 57 4.068 -2.913 -8.126 1.00 0.00 C ATOM 870 OG1 THR A 57 3.323 -2.980 -9.339 1.00 0.00 O ATOM 871 CG2 THR A 57 4.380 -4.375 -7.800 1.00 0.00 C ATOM 0 H THR A 57 2.698 -0.302 -7.671 1.00 0.00 H new ATOM 0 HA THR A 57 2.435 -3.071 -6.756 1.00 0.00 H new ATOM 0 HB THR A 57 4.994 -2.338 -8.142 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.879 -3.374 -10.043 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.074 -4.773 -8.540 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.830 -4.439 -6.809 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.458 -4.957 -7.818 1.00 0.00 H new ATOM 879 N VAL A 58 4.325 -2.611 -5.078 1.00 0.00 N ATOM 880 CA VAL A 58 5.013 -2.208 -3.863 1.00 0.00 C ATOM 881 C VAL A 58 6.155 -3.187 -3.581 1.00 0.00 C ATOM 882 O VAL A 58 6.142 -4.317 -4.065 1.00 0.00 O ATOM 883 CB VAL A 58 4.016 -2.104 -2.708 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.604 -2.687 -1.421 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.568 -0.655 -2.499 1.00 0.00 C ATOM 0 H VAL A 58 4.301 -3.618 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 58 5.455 -1.219 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 58 3.137 -2.692 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.874 -2.600 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.850 -3.737 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.507 -2.139 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.859 -0.609 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.435 -0.036 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.090 -0.287 -3.407 1.00 0.00 H new ATOM 895 N THR A 59 7.114 -2.716 -2.798 1.00 0.00 N ATOM 896 CA THR A 59 8.261 -3.535 -2.445 1.00 0.00 C ATOM 897 C THR A 59 8.993 -2.939 -1.241 1.00 0.00 C ATOM 898 O THR A 59 9.114 -1.720 -1.124 1.00 0.00 O ATOM 899 CB THR A 59 9.145 -3.671 -3.686 1.00 0.00 C ATOM 900 OG1 THR A 59 10.005 -4.766 -3.382 1.00 0.00 O ATOM 901 CG2 THR A 59 10.098 -2.486 -3.859 1.00 0.00 C ATOM 0 H THR A 59 7.120 -1.778 -2.398 1.00 0.00 H new ATOM 0 HA THR A 59 7.953 -4.534 -2.136 1.00 0.00 H new ATOM 0 HB THR A 59 8.516 -3.763 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.611 -4.925 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.702 -2.633 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.521 -1.566 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.750 -2.414 -2.989 1.00 0.00 H new ATOM 909 N LEU A 60 9.461 -3.826 -0.374 1.00 0.00 N ATOM 910 CA LEU A 60 10.177 -3.402 0.817 1.00 0.00 C ATOM 911 C LEU A 60 11.552 -2.866 0.416 1.00 0.00 C ATOM 912 O LEU A 60 12.214 -3.432 -0.452 1.00 0.00 O ATOM 913 CB LEU A 60 10.233 -4.538 1.840 1.00 0.00 C ATOM 914 CG LEU A 60 10.783 -4.171 3.220 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.313 -4.147 3.212 1.00 0.00 C ATOM 916 CD2 LEU A 60 10.191 -2.849 3.712 1.00 0.00 C ATOM 0 H LEU A 60 9.358 -4.836 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 60 9.649 -2.586 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.226 -4.937 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.845 -5.341 1.429 1.00 0.00 H new ATOM 0 HG LEU A 60 10.477 -4.943 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.678 -3.883 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.691 -5.131 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.662 -3.409 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.598 -2.611 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.445 -2.053 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.107 -2.939 3.781 1.00 0.00 H new ATOM 928 N VAL A 61 11.942 -1.780 1.069 1.00 0.00 N ATOM 929 CA VAL A 61 13.227 -1.162 0.791 1.00 0.00 C ATOM 930 C VAL A 61 14.036 -1.072 2.087 1.00 0.00 C ATOM 931 O VAL A 61 13.495 -0.731 3.138 1.00 0.00 O ATOM 932 CB VAL A 61 13.019 0.198 0.122 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.821 0.931 0.729 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.286 1.052 0.209 1.00 0.00 C ATOM 0 H VAL A 61 11.391 -1.313 1.789 1.00 0.00 H new ATOM 0 HA VAL A 61 13.800 -1.770 0.091 1.00 0.00 H new ATOM 0 HB VAL A 61 12.805 0.023 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.696 1.895 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.920 0.333 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.992 1.088 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.111 2.013 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.545 1.214 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.106 0.538 -0.292 1.00 0.00 H new ATOM 1033 N SER A 68 13.273 -2.000 7.546 1.00 0.00 N ATOM 1034 CA SER A 68 12.131 -2.649 6.925 1.00 0.00 C ATOM 1035 C SER A 68 10.833 -2.001 7.411 1.00 0.00 C ATOM 1036 O SER A 68 9.799 -2.661 7.496 1.00 0.00 O ATOM 1037 CB SER A 68 12.120 -4.149 7.226 1.00 0.00 C ATOM 1038 OG SER A 68 11.413 -4.887 6.233 1.00 0.00 O ATOM 0 HA SER A 68 12.211 -2.523 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.145 -4.514 7.288 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.662 -4.320 8.200 1.00 0.00 H new ATOM 0 HG SER A 68 11.430 -5.840 6.460 1.00 0.00 H new ATOM 1044 N LYS A 69 10.930 -0.715 7.718 1.00 0.00 N ATOM 1045 CA LYS A 69 9.776 0.029 8.193 1.00 0.00 C ATOM 1046 C LYS A 69 9.386 1.077 7.149 1.00 0.00 C ATOM 1047 O LYS A 69 8.668 2.027 7.456 1.00 0.00 O ATOM 1048 CB LYS A 69 10.051 0.615 9.579 1.00 0.00 C ATOM 1049 CG LYS A 69 10.472 -0.478 10.563 1.00 0.00 C ATOM 1050 CD LYS A 69 11.544 0.035 11.527 1.00 0.00 C ATOM 1051 CE LYS A 69 11.226 -0.371 12.967 1.00 0.00 C ATOM 1052 NZ LYS A 69 11.048 0.828 13.816 1.00 0.00 N ATOM 0 H LYS A 69 11.789 -0.170 7.647 1.00 0.00 H new ATOM 0 HA LYS A 69 8.919 -0.633 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.835 1.369 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.157 1.118 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.604 -0.819 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.853 -1.339 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.517 -0.363 11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.611 1.121 11.458 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.320 -0.977 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.032 -0.988 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.833 0.535 14.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.922 1.391 13.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.264 1.402 13.446 1.00 0.00 H new ATOM 1066 N VAL A 70 9.876 0.869 5.936 1.00 0.00 N ATOM 1067 CA VAL A 70 9.588 1.784 4.844 1.00 0.00 C ATOM 1068 C VAL A 70 9.501 0.998 3.535 1.00 0.00 C ATOM 1069 O VAL A 70 10.251 0.044 3.329 1.00 0.00 O ATOM 1070 CB VAL A 70 10.635 2.898 4.805 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.051 2.323 4.876 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.460 3.772 3.561 1.00 0.00 C ATOM 0 H VAL A 70 10.471 0.080 5.685 1.00 0.00 H new ATOM 0 HA VAL A 70 8.624 2.269 4.996 1.00 0.00 H new ATOM 0 HB VAL A 70 10.485 3.529 5.681 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.776 3.136 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.171 1.764 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.217 1.658 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.217 4.556 3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.570 3.158 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.469 4.225 3.571 1.00 0.00 H new ATOM 1082 N PHE A 71 8.581 1.427 2.683 1.00 0.00 N ATOM 1083 CA PHE A 71 8.388 0.775 1.399 1.00 0.00 C ATOM 1084 C PHE A 71 8.312 1.803 0.269 1.00 0.00 C ATOM 1085 O PHE A 71 8.370 3.007 0.514 1.00 0.00 O ATOM 1086 CB PHE A 71 7.059 0.021 1.477 1.00 0.00 C ATOM 1087 CG PHE A 71 5.937 0.804 2.163 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.010 1.070 3.494 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.868 1.234 1.441 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.970 1.797 4.131 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.828 1.961 2.077 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.900 2.227 3.409 1.00 0.00 C ATOM 0 H PHE A 71 7.961 2.218 2.857 1.00 0.00 H new ATOM 0 HA PHE A 71 9.224 0.107 1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.741 -0.239 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.215 -0.915 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.859 0.728 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.810 1.022 0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.028 2.009 5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.979 2.303 1.503 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.108 2.779 3.893 1.00 0.00 H new ATOM 1102 N GLN A 72 8.183 1.290 -0.946 1.00 0.00 N ATOM 1103 CA GLN A 72 8.099 2.149 -2.116 1.00 0.00 C ATOM 1104 C GLN A 72 6.884 1.771 -2.965 1.00 0.00 C ATOM 1105 O GLN A 72 6.521 0.599 -3.049 1.00 0.00 O ATOM 1106 CB GLN A 72 9.386 2.081 -2.940 1.00 0.00 C ATOM 1107 CG GLN A 72 10.559 2.699 -2.176 1.00 0.00 C ATOM 1108 CD GLN A 72 11.841 2.656 -3.011 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.464 3.666 -3.292 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.198 1.432 -3.391 1.00 0.00 N ATOM 0 H GLN A 72 8.135 0.291 -1.146 1.00 0.00 H new ATOM 0 HA GLN A 72 7.977 3.178 -1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.612 1.043 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.245 2.606 -3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.325 3.731 -1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.712 2.161 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.631 0.628 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.039 1.297 -3.952 1.00 0.00 H new ATOM 1119 N LEU A 73 6.289 2.786 -3.574 1.00 0.00 N ATOM 1120 CA LEU A 73 5.122 2.575 -4.414 1.00 0.00 C ATOM 1121 C LEU A 73 5.569 2.403 -5.867 1.00 0.00 C ATOM 1122 O LEU A 73 5.723 3.384 -6.593 1.00 0.00 O ATOM 1123 CB LEU A 73 4.106 3.701 -4.212 1.00 0.00 C ATOM 1124 CG LEU A 73 2.742 3.501 -4.877 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.086 2.203 -4.402 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.840 4.716 -4.652 1.00 0.00 C ATOM 0 H LEU A 73 6.593 3.757 -3.503 1.00 0.00 H new ATOM 0 HA LEU A 73 4.607 1.658 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.950 3.835 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.540 4.627 -4.589 1.00 0.00 H new ATOM 0 HG LEU A 73 2.895 3.409 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.118 2.085 -4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.726 1.358 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.946 2.240 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.877 4.549 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.689 4.864 -3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.310 5.602 -5.078 1.00 0.00 H new ATOM 1138 N LEU A 74 5.766 1.149 -6.247 1.00 0.00 N ATOM 1139 CA LEU A 74 6.192 0.836 -7.601 1.00 0.00 C ATOM 1140 C LEU A 74 4.988 0.911 -8.541 1.00 0.00 C ATOM 1141 O LEU A 74 3.851 0.713 -8.115 1.00 0.00 O ATOM 1142 CB LEU A 74 6.917 -0.511 -7.636 1.00 0.00 C ATOM 1143 CG LEU A 74 8.439 -0.458 -7.485 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.947 -1.627 -6.639 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.123 -0.400 -8.852 1.00 0.00 C ATOM 0 H LEU A 74 5.639 0.338 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 74 6.916 1.571 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.515 -1.138 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.682 -1.003 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 74 8.698 0.459 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.031 -1.566 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.496 -1.582 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.676 -2.568 -7.118 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.204 -0.363 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.860 -1.287 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.794 0.491 -9.386 1.00 0.00 H new ATOM 1157 N HIS A 75 5.278 1.198 -9.801 1.00 0.00 N ATOM 1158 CA HIS A 75 4.233 1.302 -10.805 1.00 0.00 C ATOM 1159 C HIS A 75 4.684 0.604 -12.090 1.00 0.00 C ATOM 1160 O HIS A 75 5.509 1.135 -12.831 1.00 0.00 O ATOM 1161 CB HIS A 75 3.839 2.763 -11.031 1.00 0.00 C ATOM 1162 CG HIS A 75 2.850 2.967 -12.154 1.00 0.00 C ATOM 1163 ND1 HIS A 75 3.159 2.713 -13.479 1.00 0.00 N ATOM 1164 CD2 HIS A 75 1.557 3.400 -12.135 1.00 0.00 C ATOM 1165 CE1 HIS A 75 2.092 2.986 -14.216 1.00 0.00 C ATOM 1166 NE2 HIS A 75 1.101 3.412 -13.382 1.00 0.00 N ATOM 0 H HIS A 75 6.222 1.362 -10.150 1.00 0.00 H new ATOM 0 HA HIS A 75 3.335 0.795 -10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.413 3.160 -10.110 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.738 3.342 -11.243 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.999 3.685 -11.255 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.020 2.888 -15.289 1.00 0.00 H new ATOM 0 HE2 HIS A 75 0.164 3.694 -13.669 1.00 0.00 H new ATOM 1174 N LYS A 76 4.122 -0.574 -12.314 1.00 0.00 N ATOM 1175 CA LYS A 76 4.456 -1.350 -13.496 1.00 0.00 C ATOM 1176 C LYS A 76 5.835 -1.985 -13.311 1.00 0.00 C ATOM 1177 O LYS A 76 5.983 -3.202 -13.422 1.00 0.00 O ATOM 1178 CB LYS A 76 4.340 -0.487 -14.753 1.00 0.00 C ATOM 1179 CG LYS A 76 3.146 -0.918 -15.607 1.00 0.00 C ATOM 1180 CD LYS A 76 3.243 -0.338 -17.019 1.00 0.00 C ATOM 1181 CE LYS A 76 3.412 1.182 -16.977 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.723 1.574 -17.541 1.00 0.00 N ATOM 0 H LYS A 76 3.437 -1.010 -11.697 1.00 0.00 H new ATOM 0 HA LYS A 76 3.745 -2.165 -13.630 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.230 0.560 -14.470 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.257 -0.565 -15.338 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.106 -2.006 -15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.220 -0.587 -15.137 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.087 -0.787 -17.543 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.346 -0.592 -17.583 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.610 1.659 -17.541 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.332 1.534 -15.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.821 2.609 -17.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.485 1.134 -16.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.785 1.255 -18.529 1.00 0.00 H new ATOM 1196 N GLY A 77 6.811 -1.134 -13.031 1.00 0.00 N ATOM 1197 CA GLY A 77 8.174 -1.597 -12.830 1.00 0.00 C ATOM 1198 C GLY A 77 9.109 -0.428 -12.515 1.00 0.00 C ATOM 1199 O GLY A 77 10.267 -0.425 -12.929 1.00 0.00 O ATOM 0 H GLY A 77 6.685 -0.126 -12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.200 -2.318 -12.013 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.522 -2.115 -13.724 1.00 0.00 H new ATOM 1203 N MET A 78 8.571 0.539 -11.785 1.00 0.00 N ATOM 1204 CA MET A 78 9.344 1.711 -11.410 1.00 0.00 C ATOM 1205 C MET A 78 8.763 2.373 -10.159 1.00 0.00 C ATOM 1206 O MET A 78 7.550 2.365 -9.955 1.00 0.00 O ATOM 1207 CB MET A 78 9.343 2.714 -12.565 1.00 0.00 C ATOM 1208 CG MET A 78 7.921 3.176 -12.890 1.00 0.00 C ATOM 1209 SD MET A 78 7.914 4.924 -13.248 1.00 0.00 S ATOM 1210 CE MET A 78 6.545 5.445 -12.227 1.00 0.00 C ATOM 0 H MET A 78 7.610 0.535 -11.444 1.00 0.00 H new ATOM 0 HA MET A 78 10.364 1.396 -11.191 1.00 0.00 H new ATOM 0 HB2 MET A 78 9.958 3.575 -12.304 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.791 2.258 -13.448 1.00 0.00 H new ATOM 0 HG2 MET A 78 7.536 2.620 -13.745 1.00 0.00 H new ATOM 0 HG3 MET A 78 7.260 2.966 -12.049 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.479 6.533 -12.234 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.619 5.023 -12.617 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.700 5.098 -11.205 1.00 0.00 H new ATOM 1220 N VAL A 79 9.656 2.930 -9.354 1.00 0.00 N ATOM 1221 CA VAL A 79 9.247 3.595 -8.129 1.00 0.00 C ATOM 1222 C VAL A 79 8.511 4.891 -8.477 1.00 0.00 C ATOM 1223 O VAL A 79 8.913 5.611 -9.390 1.00 0.00 O ATOM 1224 CB VAL A 79 10.461 3.822 -7.226 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.101 4.714 -6.036 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.050 2.491 -6.754 1.00 0.00 C ATOM 0 H VAL A 79 10.661 2.934 -9.526 1.00 0.00 H new ATOM 0 HA VAL A 79 8.554 2.968 -7.568 1.00 0.00 H new ATOM 0 HB VAL A 79 11.222 4.337 -7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.982 4.859 -5.411 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.750 5.680 -6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.314 4.239 -5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.912 2.681 -6.114 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.296 1.938 -6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.362 1.905 -7.618 1.00 0.00 H new ATOM 1236 N PHE A 80 7.446 5.148 -7.733 1.00 0.00 N ATOM 1237 CA PHE A 80 6.650 6.344 -7.952 1.00 0.00 C ATOM 1238 C PHE A 80 6.714 7.274 -6.739 1.00 0.00 C ATOM 1239 O PHE A 80 6.711 8.495 -6.889 1.00 0.00 O ATOM 1240 CB PHE A 80 5.204 5.888 -8.155 1.00 0.00 C ATOM 1241 CG PHE A 80 4.207 7.037 -8.322 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.371 7.938 -9.327 1.00 0.00 C ATOM 1243 CD2 PHE A 80 3.158 7.157 -7.465 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.445 9.004 -9.482 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.233 8.223 -7.620 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.396 9.124 -8.625 1.00 0.00 C ATOM 0 H PHE A 80 7.115 4.548 -6.977 1.00 0.00 H new ATOM 0 HA PHE A 80 7.029 6.891 -8.816 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.156 5.248 -9.036 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.902 5.280 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.205 7.843 -10.007 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.028 6.441 -6.666 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.574 9.719 -10.281 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.400 8.318 -6.939 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.692 9.935 -8.743 1.00 0.00 H new ATOM 1256 N TYR A 81 6.771 6.662 -5.566 1.00 0.00 N ATOM 1257 CA TYR A 81 6.835 7.420 -4.328 1.00 0.00 C ATOM 1258 C TYR A 81 7.194 6.515 -3.148 1.00 0.00 C ATOM 1259 O TYR A 81 6.987 5.304 -3.205 1.00 0.00 O ATOM 1260 CB TYR A 81 5.432 7.991 -4.110 1.00 0.00 C ATOM 1261 CG TYR A 81 5.192 9.333 -4.803 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.144 10.329 -4.729 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.022 9.548 -5.503 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.918 11.592 -5.382 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.795 10.811 -6.156 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.754 11.771 -6.063 1.00 0.00 C ATOM 1267 OH TYR A 81 4.540 12.964 -6.680 1.00 0.00 O ATOM 0 H TYR A 81 6.774 5.649 -5.446 1.00 0.00 H new ATOM 0 HA TYR A 81 7.597 8.197 -4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.698 7.271 -4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.262 8.111 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.059 10.161 -4.181 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.277 8.769 -5.561 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.656 12.379 -5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.884 10.992 -6.707 1.00 0.00 H new ATOM 0 HH TYR A 81 3.669 12.949 -7.128 1.00 0.00 H new ATOM 1277 N VAL A 82 7.726 7.137 -2.106 1.00 0.00 N ATOM 1278 CA VAL A 82 8.116 6.403 -0.915 1.00 0.00 C ATOM 1279 C VAL A 82 7.051 6.593 0.167 1.00 0.00 C ATOM 1280 O VAL A 82 6.263 7.536 0.109 1.00 0.00 O ATOM 1281 CB VAL A 82 9.511 6.839 -0.464 1.00 0.00 C ATOM 1282 CG1 VAL A 82 9.978 6.022 0.742 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.515 6.741 -1.614 1.00 0.00 C ATOM 0 H VAL A 82 7.896 8.142 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 82 8.177 5.336 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 82 9.452 7.884 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.972 6.352 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.283 6.165 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.012 4.966 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.499 7.057 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.568 5.710 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.195 7.386 -2.432 1.00 0.00 H new ATOM 1293 N PHE A 83 7.061 5.683 1.130 1.00 0.00 N ATOM 1294 CA PHE A 83 6.106 5.738 2.223 1.00 0.00 C ATOM 1295 C PHE A 83 6.678 5.087 3.484 1.00 0.00 C ATOM 1296 O PHE A 83 7.094 3.930 3.456 1.00 0.00 O ATOM 1297 CB PHE A 83 4.869 4.957 1.777 1.00 0.00 C ATOM 1298 CG PHE A 83 4.019 5.682 0.731 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.233 6.728 1.100 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.051 5.280 -0.568 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.444 7.401 0.129 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.263 5.952 -1.539 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.476 6.999 -1.170 1.00 0.00 C ATOM 0 H PHE A 83 7.716 4.903 1.176 1.00 0.00 H new ATOM 0 HA PHE A 83 5.869 6.776 2.457 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.185 3.996 1.371 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.251 4.746 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.208 7.047 2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.676 4.449 -0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.819 8.232 0.422 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.288 5.632 -2.570 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.877 7.511 -1.909 1.00 0.00 H new ATOM 1313 N LYS A 84 6.680 5.859 4.561 1.00 0.00 N ATOM 1314 CA LYS A 84 7.194 5.372 5.830 1.00 0.00 C ATOM 1315 C LYS A 84 6.040 4.804 6.658 1.00 0.00 C ATOM 1316 O LYS A 84 4.880 5.139 6.425 1.00 0.00 O ATOM 1317 CB LYS A 84 7.982 6.471 6.546 1.00 0.00 C ATOM 1318 CG LYS A 84 9.330 5.944 7.044 1.00 0.00 C ATOM 1319 CD LYS A 84 9.396 5.966 8.573 1.00 0.00 C ATOM 1320 CE LYS A 84 10.836 6.146 9.057 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.950 5.786 10.488 1.00 0.00 N ATOM 0 H LYS A 84 6.334 6.818 4.581 1.00 0.00 H new ATOM 0 HA LYS A 84 7.901 4.559 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.143 7.309 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.402 6.850 7.388 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.482 4.926 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.136 6.551 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.776 6.777 8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.988 5.037 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.506 5.523 8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.149 7.180 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.934 5.914 10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.325 6.398 11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.671 4.793 10.619 1.00 0.00 H new ATOM 1335 N ALA A 85 6.399 3.953 7.609 1.00 0.00 N ATOM 1336 CA ALA A 85 5.408 3.335 8.473 1.00 0.00 C ATOM 1337 C ALA A 85 5.832 3.508 9.933 1.00 0.00 C ATOM 1338 O ALA A 85 7.023 3.575 10.234 1.00 0.00 O ATOM 1339 CB ALA A 85 5.239 1.865 8.086 1.00 0.00 C ATOM 0 H ALA A 85 7.362 3.677 7.800 1.00 0.00 H new ATOM 0 HA ALA A 85 4.438 3.818 8.351 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.495 1.401 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.909 1.797 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.192 1.347 8.198 1.00 0.00 H new ATOM 1345 N ASP A 86 4.834 3.577 10.801 1.00 0.00 N ATOM 1346 CA ASP A 86 5.088 3.741 12.222 1.00 0.00 C ATOM 1347 C ASP A 86 6.178 2.760 12.658 1.00 0.00 C ATOM 1348 O ASP A 86 7.276 3.171 13.030 1.00 0.00 O ATOM 1349 CB ASP A 86 3.831 3.447 13.044 1.00 0.00 C ATOM 1350 CG ASP A 86 3.577 4.411 14.205 1.00 0.00 C ATOM 1351 OD1 ASP A 86 4.442 4.454 15.107 1.00 0.00 O ATOM 1352 OD2 ASP A 86 2.525 5.083 14.164 1.00 0.00 O ATOM 0 H ASP A 86 3.847 3.522 10.548 1.00 0.00 H new ATOM 0 HA ASP A 86 5.397 4.772 12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.967 3.467 12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.904 2.435 13.441 1.00 0.00 H new ATOM 1357 N ASP A 87 5.836 1.481 12.597 1.00 0.00 N ATOM 1358 CA ASP A 87 6.772 0.438 12.981 1.00 0.00 C ATOM 1359 C ASP A 87 6.863 -0.598 11.858 1.00 0.00 C ATOM 1360 O ASP A 87 6.218 -0.452 10.821 1.00 0.00 O ATOM 1361 CB ASP A 87 6.308 -0.280 14.250 1.00 0.00 C ATOM 1362 CG ASP A 87 7.357 -0.376 15.359 1.00 0.00 C ATOM 1363 OD1 ASP A 87 8.144 0.586 15.480 1.00 0.00 O ATOM 1364 OD2 ASP A 87 7.347 -1.411 16.061 1.00 0.00 O ATOM 0 H ASP A 87 4.924 1.144 12.288 1.00 0.00 H new ATOM 0 HA ASP A 87 7.740 0.905 13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.433 0.237 14.643 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.990 -1.288 13.983 1.00 0.00 H new ATOM 1369 N ALA A 88 7.669 -1.620 12.104 1.00 0.00 N ATOM 1370 CA ALA A 88 7.853 -2.680 11.126 1.00 0.00 C ATOM 1371 C ALA A 88 6.503 -3.339 10.836 1.00 0.00 C ATOM 1372 O ALA A 88 6.048 -3.352 9.693 1.00 0.00 O ATOM 1373 CB ALA A 88 8.891 -3.678 11.644 1.00 0.00 C ATOM 0 H ALA A 88 8.202 -1.737 12.966 1.00 0.00 H new ATOM 0 HA ALA A 88 8.231 -2.276 10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.029 -4.473 10.911 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.839 -3.165 11.806 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.545 -4.108 12.584 1.00 0.00 H new ATOM 1379 N HIS A 89 5.902 -3.872 11.890 1.00 0.00 N ATOM 1380 CA HIS A 89 4.614 -4.531 11.762 1.00 0.00 C ATOM 1381 C HIS A 89 3.722 -3.735 10.808 1.00 0.00 C ATOM 1382 O HIS A 89 3.195 -4.284 9.842 1.00 0.00 O ATOM 1383 CB HIS A 89 3.973 -4.743 13.135 1.00 0.00 C ATOM 1384 CG HIS A 89 4.374 -6.034 13.808 1.00 0.00 C ATOM 1385 ND1 HIS A 89 4.449 -6.172 15.183 1.00 0.00 N ATOM 1386 CD2 HIS A 89 4.719 -7.244 13.280 1.00 0.00 C ATOM 1387 CE1 HIS A 89 4.824 -7.412 15.459 1.00 0.00 C ATOM 1388 NE2 HIS A 89 4.992 -8.075 14.279 1.00 0.00 N ATOM 0 H HIS A 89 6.283 -3.861 12.836 1.00 0.00 H new ATOM 0 HA HIS A 89 4.751 -5.523 11.332 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.242 -3.909 13.783 1.00 0.00 H new ATOM 0 HB3 HIS A 89 2.889 -4.724 13.025 1.00 0.00 H new ATOM 0 HD2 HIS A 89 4.763 -7.485 12.228 1.00 0.00 H new ATOM 0 HE1 HIS A 89 4.971 -7.826 16.446 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.280 -9.049 14.180 1.00 0.00 H new ATOM 1396 N SER A 90 3.579 -2.453 11.113 1.00 0.00 N ATOM 1397 CA SER A 90 2.760 -1.576 10.295 1.00 0.00 C ATOM 1398 C SER A 90 3.168 -1.699 8.825 1.00 0.00 C ATOM 1399 O SER A 90 2.351 -2.059 7.979 1.00 0.00 O ATOM 1400 CB SER A 90 2.877 -0.122 10.758 1.00 0.00 C ATOM 1401 OG SER A 90 2.140 0.118 11.953 1.00 0.00 O ATOM 0 H SER A 90 4.017 -2.001 11.916 1.00 0.00 H new ATOM 0 HA SER A 90 1.719 -1.881 10.404 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.926 0.122 10.924 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.516 0.540 9.970 1.00 0.00 H new ATOM 0 HG SER A 90 2.241 1.056 12.217 1.00 0.00 H new ATOM 1407 N THR A 91 4.431 -1.393 8.567 1.00 0.00 N ATOM 1408 CA THR A 91 4.956 -1.465 7.214 1.00 0.00 C ATOM 1409 C THR A 91 4.394 -2.689 6.488 1.00 0.00 C ATOM 1410 O THR A 91 3.757 -2.556 5.443 1.00 0.00 O ATOM 1411 CB THR A 91 6.484 -1.459 7.300 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.777 -0.400 8.207 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.142 -1.021 5.990 1.00 0.00 C ATOM 0 H THR A 91 5.106 -1.095 9.271 1.00 0.00 H new ATOM 0 HA THR A 91 4.645 -0.604 6.622 1.00 0.00 H new ATOM 0 HB THR A 91 6.836 -2.455 7.568 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.836 -0.756 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.226 -1.034 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.853 -1.705 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.816 -0.012 5.739 1.00 0.00 H new ATOM 1421 N GLN A 92 4.648 -3.852 7.069 1.00 0.00 N ATOM 1422 CA GLN A 92 4.175 -5.097 6.490 1.00 0.00 C ATOM 1423 C GLN A 92 2.702 -4.974 6.097 1.00 0.00 C ATOM 1424 O GLN A 92 2.303 -5.417 5.021 1.00 0.00 O ATOM 1425 CB GLN A 92 4.389 -6.266 7.454 1.00 0.00 C ATOM 1426 CG GLN A 92 5.857 -6.697 7.476 1.00 0.00 C ATOM 1427 CD GLN A 92 6.082 -7.922 6.587 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.885 -9.057 6.988 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.505 -7.630 5.360 1.00 0.00 N ATOM 0 H GLN A 92 5.176 -3.958 7.935 1.00 0.00 H new ATOM 0 HA GLN A 92 4.755 -5.300 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.076 -5.977 8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.764 -7.107 7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.486 -5.875 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.158 -6.925 8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.650 -6.658 5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.684 -8.379 4.691 1.00 0.00 H new ATOM 1438 N ARG A 93 1.932 -4.369 6.991 1.00 0.00 N ATOM 1439 CA ARG A 93 0.512 -4.182 6.750 1.00 0.00 C ATOM 1440 C ARG A 93 0.293 -3.329 5.499 1.00 0.00 C ATOM 1441 O ARG A 93 -0.421 -3.735 4.584 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.164 -3.506 7.945 1.00 0.00 C ATOM 1443 CG ARG A 93 0.220 -4.196 9.255 1.00 0.00 C ATOM 1444 CD ARG A 93 -0.961 -4.221 10.228 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.492 -3.930 11.601 1.00 0.00 N ATOM 1446 CZ ARG A 93 -0.297 -2.695 12.082 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -0.530 -1.629 11.305 1.00 0.00 N ATOM 1448 NH2 ARG A 93 0.131 -2.526 13.341 1.00 0.00 N ATOM 0 H ARG A 93 2.265 -4.003 7.883 1.00 0.00 H new ATOM 0 HA ARG A 93 0.068 -5.167 6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.125 -2.456 7.985 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.246 -3.534 7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.549 -5.215 9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.061 -3.675 9.712 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.707 -3.486 9.926 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.446 -5.197 10.200 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.306 -4.719 12.220 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.856 -1.758 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.382 -0.689 11.671 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.308 -3.338 13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.280 -1.586 13.707 1.00 0.00 H new ATOM 1462 N TRP A 94 0.920 -2.162 5.500 1.00 0.00 N ATOM 1463 CA TRP A 94 0.803 -1.248 4.377 1.00 0.00 C ATOM 1464 C TRP A 94 1.299 -1.973 3.124 1.00 0.00 C ATOM 1465 O TRP A 94 0.597 -2.028 2.115 1.00 0.00 O ATOM 1466 CB TRP A 94 1.554 0.056 4.650 1.00 0.00 C ATOM 1467 CG TRP A 94 0.787 1.044 5.531 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.979 1.312 6.830 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.308 1.890 5.122 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.091 2.264 7.287 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.717 2.627 6.215 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -0.933 2.027 3.870 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.766 3.553 6.166 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -1.980 2.957 3.838 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.403 3.707 4.929 1.00 0.00 C ATOM 0 H TRP A 94 1.511 -1.828 6.261 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.236 -0.958 4.223 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.505 -0.178 5.128 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.784 0.536 3.699 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.734 0.842 7.442 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.037 2.633 8.236 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.630 1.460 3.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.067 4.118 7.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.495 3.101 2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.220 4.406 4.823 1.00 0.00 H new ATOM 1486 N ILE A 95 2.505 -2.511 3.229 1.00 0.00 N ATOM 1487 CA ILE A 95 3.103 -3.230 2.117 1.00 0.00 C ATOM 1488 C ILE A 95 2.065 -4.176 1.510 1.00 0.00 C ATOM 1489 O ILE A 95 1.646 -3.992 0.369 1.00 0.00 O ATOM 1490 CB ILE A 95 4.389 -3.931 2.562 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.440 -2.914 3.012 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.918 -4.855 1.463 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.536 -3.589 3.840 1.00 0.00 C ATOM 0 H ILE A 95 3.084 -2.463 4.067 1.00 0.00 H new ATOM 0 HA ILE A 95 3.401 -2.537 1.331 1.00 0.00 H new ATOM 0 HB ILE A 95 4.157 -4.556 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.882 -2.433 2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.964 -2.130 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.832 -5.341 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.169 -5.613 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.130 -4.271 0.568 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.270 -2.844 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.093 -4.049 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.026 -4.355 3.239 1.00 0.00 H new ATOM 1505 N ASP A 96 1.681 -5.168 2.300 1.00 0.00 N ATOM 1506 CA ASP A 96 0.701 -6.143 1.855 1.00 0.00 C ATOM 1507 C ASP A 96 -0.553 -5.413 1.368 1.00 0.00 C ATOM 1508 O ASP A 96 -1.077 -5.718 0.298 1.00 0.00 O ATOM 1509 CB ASP A 96 0.292 -7.075 2.997 1.00 0.00 C ATOM 1510 CG ASP A 96 0.265 -8.562 2.640 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -0.499 -8.910 1.714 1.00 0.00 O ATOM 1512 OD2 ASP A 96 1.009 -9.318 3.302 1.00 0.00 O ATOM 0 H ASP A 96 2.031 -5.317 3.246 1.00 0.00 H new ATOM 0 HA ASP A 96 1.150 -6.731 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.981 -6.929 3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.698 -6.783 3.347 1.00 0.00 H new ATOM 1517 N ALA A 97 -0.998 -4.464 2.178 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.180 -3.689 1.844 1.00 0.00 C ATOM 1519 C ALA A 97 -2.048 -3.156 0.416 1.00 0.00 C ATOM 1520 O ALA A 97 -3.027 -3.115 -0.328 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.364 -2.568 2.870 1.00 0.00 C ATOM 0 H ALA A 97 -0.561 -4.214 3.065 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.072 -4.315 1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.251 -1.987 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.483 -3.000 3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.489 -1.918 2.859 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.830 -2.761 0.076 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.558 -2.232 -1.249 1.00 0.00 C ATOM 1529 C PHE A 98 -0.427 -3.361 -2.274 1.00 0.00 C ATOM 1530 O PHE A 98 -0.843 -3.214 -3.422 1.00 0.00 O ATOM 1531 CB PHE A 98 0.771 -1.479 -1.166 1.00 0.00 C ATOM 1532 CG PHE A 98 0.620 0.027 -0.937 1.00 0.00 C ATOM 1533 CD1 PHE A 98 0.304 0.844 -1.976 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.802 0.547 0.307 1.00 0.00 C ATOM 1535 CE1 PHE A 98 0.164 2.241 -1.764 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.661 1.944 0.519 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.345 2.761 -0.520 1.00 0.00 C ATOM 0 H PHE A 98 -0.020 -2.797 0.695 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.375 -1.583 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.366 -1.901 -0.356 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.327 -1.642 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.159 0.431 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.054 -0.102 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.086 2.890 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.805 2.357 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.238 3.823 -0.358 1.00 0.00 H new ATOM 1547 N GLN A 99 0.153 -4.463 -1.822 1.00 0.00 N ATOM 1548 CA GLN A 99 0.344 -5.616 -2.684 1.00 0.00 C ATOM 1549 C GLN A 99 -1.007 -6.235 -3.050 1.00 0.00 C ATOM 1550 O GLN A 99 -1.324 -6.389 -4.228 1.00 0.00 O ATOM 1551 CB GLN A 99 1.260 -6.649 -2.024 1.00 0.00 C ATOM 1552 CG GLN A 99 2.705 -6.483 -2.498 1.00 0.00 C ATOM 1553 CD GLN A 99 2.833 -6.795 -3.990 1.00 0.00 C ATOM 1554 OE1 GLN A 99 2.253 -7.737 -4.505 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.622 -5.955 -4.653 1.00 0.00 N ATOM 0 H GLN A 99 0.497 -4.581 -0.869 1.00 0.00 H new ATOM 0 HA GLN A 99 0.829 -5.283 -3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.214 -6.541 -0.940 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.910 -7.654 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.039 -5.463 -2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.357 -7.145 -1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.077 -5.187 -4.160 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.772 -6.079 -5.654 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.765 -6.573 -2.018 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.075 -7.172 -2.216 1.00 0.00 C ATOM 1566 C GLU A 100 -3.978 -6.223 -3.007 1.00 0.00 C ATOM 1567 O GLU A 100 -4.834 -6.667 -3.770 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.713 -7.548 -0.878 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.158 -8.877 -0.360 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.290 -9.838 0.010 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -4.947 -10.329 -0.933 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.472 -10.059 1.227 1.00 0.00 O ATOM 0 H GLU A 100 -1.498 -6.444 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.951 -8.089 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.524 -6.761 -0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.794 -7.622 -0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.524 -9.332 -1.121 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.529 -8.697 0.512 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.756 -4.934 -2.797 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.539 -3.919 -3.481 1.00 0.00 C ATOM 1581 C GLY A 101 -4.336 -3.998 -4.995 1.00 0.00 C ATOM 1582 O GLY A 101 -5.296 -4.171 -5.745 1.00 0.00 O ATOM 0 H GLY A 101 -3.045 -4.569 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.595 -4.049 -3.245 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.252 -2.930 -3.123 1.00 0.00 H new ATOM 1586 N THR A 102 -3.082 -3.867 -5.400 1.00 0.00 N ATOM 1587 CA THR A 102 -2.741 -3.922 -6.811 1.00 0.00 C ATOM 1588 C THR A 102 -3.267 -5.215 -7.437 1.00 0.00 C ATOM 1589 O THR A 102 -3.788 -5.202 -8.552 1.00 0.00 O ATOM 1590 CB THR A 102 -1.225 -3.758 -6.939 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.694 -4.766 -6.084 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.724 -2.448 -6.326 1.00 0.00 C ATOM 0 H THR A 102 -2.289 -3.723 -4.775 1.00 0.00 H new ATOM 0 HA THR A 102 -3.217 -3.113 -7.364 1.00 0.00 H new ATOM 0 HB THR A 102 -0.943 -3.798 -7.991 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.373 -5.031 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.358 -2.381 -6.444 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.196 -1.606 -6.831 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.976 -2.423 -5.266 1.00 0.00 H new ATOM 1600 N VAL A 103 -3.112 -6.300 -6.694 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.565 -7.599 -7.162 1.00 0.00 C ATOM 1602 C VAL A 103 -5.024 -7.804 -6.750 1.00 0.00 C ATOM 1603 O VAL A 103 -5.709 -6.851 -6.381 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.636 -8.697 -6.639 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -1.194 -8.455 -7.091 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.723 -8.809 -5.116 1.00 0.00 C ATOM 0 H VAL A 103 -2.679 -6.307 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.524 -7.649 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.965 -9.646 -7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.554 -9.249 -6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.150 -8.449 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.849 -7.494 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -2.053 -9.596 -4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.432 -7.861 -4.664 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.746 -9.050 -4.827 1.00 0.00 H new