USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 26:sc= 1.27 USER MOD Single : A 12 TYR OH : rot 68:sc= 1.22 USER MOD Single : A 15 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.9!) USER MOD Single : A 17 GLN : amide:sc= -2 K(o=-2,f=-5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.707 K(o=0.71,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00519 USER MOD Single : A 30 SER OG : rot 36:sc= 0.237 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00777 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.26) USER MOD Single : A 59 THR OG1 : rot 94:sc= 1.32 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -126:sc= 1.5 USER MOD Single : A 79 CYS SG : rot -72:sc= 0.083 USER MOD Single : A 85 THR OG1 : rot 124:sc= 1.29 USER MOD Single : A 91 GLN : amide:sc= 1.15 K(o=1.1,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.341 11.851 2.493 1.00 0.00 N ATOM 77 CA GLU A 8 5.972 12.369 2.627 1.00 0.00 C ATOM 78 C GLU A 8 4.902 11.297 2.914 1.00 0.00 C ATOM 79 O GLU A 8 3.767 11.657 3.206 1.00 0.00 O ATOM 80 CB GLU A 8 5.595 13.210 1.392 1.00 0.00 C ATOM 81 CG GLU A 8 6.222 14.616 1.471 1.00 0.00 C ATOM 82 CD GLU A 8 5.722 15.577 0.382 1.00 0.00 C ATOM 83 OE1 GLU A 8 4.562 15.439 -0.068 1.00 0.00 O ATOM 84 OE2 GLU A 8 6.482 16.497 -0.018 1.00 0.00 O ATOM 0 HA GLU A 8 5.981 13.000 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.935 12.706 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.511 13.295 1.322 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.007 15.046 2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.306 14.526 1.394 1.00 0.00 H new ATOM 91 N TYR A 9 5.222 9.997 2.893 1.00 0.00 N ATOM 92 CA TYR A 9 4.224 8.932 3.000 1.00 0.00 C ATOM 93 C TYR A 9 3.412 9.071 4.287 1.00 0.00 C ATOM 94 O TYR A 9 2.186 9.013 4.263 1.00 0.00 O ATOM 95 CB TYR A 9 4.892 7.545 2.999 1.00 0.00 C ATOM 96 CG TYR A 9 6.031 7.326 2.023 1.00 0.00 C ATOM 97 CD1 TYR A 9 5.806 7.383 0.635 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.303 6.974 2.505 1.00 0.00 C ATOM 99 CE1 TYR A 9 6.843 7.143 -0.285 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.343 6.750 1.592 1.00 0.00 C ATOM 101 CZ TYR A 9 8.128 6.820 0.201 1.00 0.00 C ATOM 102 OH TYR A 9 9.157 6.532 -0.638 1.00 0.00 O ATOM 0 H TYR A 9 6.179 9.657 2.801 1.00 0.00 H new ATOM 0 HA TYR A 9 3.567 9.025 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.266 7.349 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.123 6.800 2.794 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.817 7.616 0.269 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.477 6.877 3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.658 7.205 -1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.331 6.519 1.963 1.00 0.00 H new ATOM 0 HH TYR A 9 9.004 6.965 -1.504 1.00 0.00 H new ATOM 112 N GLY A 10 4.097 9.262 5.413 1.00 0.00 N ATOM 113 CA GLY A 10 3.475 9.307 6.719 1.00 0.00 C ATOM 114 C GLY A 10 2.571 10.512 6.916 1.00 0.00 C ATOM 115 O GLY A 10 1.760 10.512 7.843 1.00 0.00 O ATOM 0 H GLY A 10 5.109 9.390 5.436 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.893 8.397 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.252 9.316 7.483 1.00 0.00 H new ATOM 119 N ARG A 11 2.675 11.535 6.064 1.00 0.00 N ATOM 120 CA ARG A 11 1.752 12.654 6.129 1.00 0.00 C ATOM 121 C ARG A 11 0.364 12.254 5.652 1.00 0.00 C ATOM 122 O ARG A 11 -0.592 12.949 5.984 1.00 0.00 O ATOM 123 CB ARG A 11 2.290 13.825 5.308 1.00 0.00 C ATOM 124 CG ARG A 11 3.575 14.389 5.941 1.00 0.00 C ATOM 125 CD ARG A 11 3.410 15.874 6.236 1.00 0.00 C ATOM 126 NE ARG A 11 2.361 16.141 7.248 1.00 0.00 N ATOM 127 CZ ARG A 11 1.386 17.056 7.123 1.00 0.00 C ATOM 128 NH1 ARG A 11 1.446 17.955 6.144 1.00 0.00 N ATOM 129 NH2 ARG A 11 0.376 17.095 7.983 1.00 0.00 N ATOM 0 H ARG A 11 3.382 11.605 5.332 1.00 0.00 H new ATOM 0 HA ARG A 11 1.664 12.965 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.494 13.497 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.535 14.609 5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.802 13.851 6.862 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.418 14.236 5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.359 16.279 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.161 16.398 5.313 1.00 0.00 H new ATOM 0 HE ARG A 11 2.381 15.588 8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.230 17.947 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.708 18.652 6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.334 16.425 8.751 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.358 17.795 7.876 1.00 0.00 H new ATOM 143 N TYR A 12 0.253 11.179 4.875 1.00 0.00 N ATOM 144 CA TYR A 12 -0.992 10.759 4.271 1.00 0.00 C ATOM 145 C TYR A 12 -1.446 9.449 4.899 1.00 0.00 C ATOM 146 O TYR A 12 -2.614 9.320 5.256 1.00 0.00 O ATOM 147 CB TYR A 12 -0.822 10.580 2.759 1.00 0.00 C ATOM 148 CG TYR A 12 0.045 11.554 1.985 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.197 12.916 2.324 1.00 0.00 C ATOM 150 CD2 TYR A 12 0.715 11.040 0.869 1.00 0.00 C ATOM 151 CE1 TYR A 12 1.033 13.754 1.559 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.440 11.888 0.023 1.00 0.00 C ATOM 153 CZ TYR A 12 1.627 13.249 0.370 1.00 0.00 C ATOM 154 OH TYR A 12 2.282 14.075 -0.494 1.00 0.00 O ATOM 0 H TYR A 12 1.041 10.572 4.649 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.745 11.527 4.446 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.420 9.581 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.817 10.603 2.313 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.331 13.319 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.673 9.982 0.659 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.221 14.770 1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.858 11.504 -0.896 1.00 0.00 H new ATOM 0 HH TYR A 12 3.102 14.407 -0.072 1.00 0.00 H new ATOM 164 N PHE A 13 -0.562 8.450 4.946 1.00 0.00 N ATOM 165 CA PHE A 13 -0.896 7.136 5.472 1.00 0.00 C ATOM 166 C PHE A 13 -0.889 7.184 7.003 1.00 0.00 C ATOM 167 O PHE A 13 -0.275 8.073 7.596 1.00 0.00 O ATOM 168 CB PHE A 13 0.092 6.083 4.945 1.00 0.00 C ATOM 169 CG PHE A 13 0.072 5.866 3.440 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.970 5.139 2.839 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.116 6.352 2.636 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.953 4.881 1.455 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.122 6.124 1.250 1.00 0.00 C ATOM 174 CZ PHE A 13 0.091 5.379 0.657 1.00 0.00 C ATOM 0 H PHE A 13 0.401 8.534 4.620 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.893 6.852 5.137 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.100 6.375 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.120 5.133 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.789 4.776 3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.924 6.908 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.744 4.299 1.006 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.920 6.522 0.641 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.100 5.190 -0.406 1.00 0.00 H new ATOM 184 N GLU A 14 -1.518 6.210 7.664 1.00 0.00 N ATOM 185 CA GLU A 14 -1.537 6.173 9.130 1.00 0.00 C ATOM 186 C GLU A 14 -1.504 4.748 9.667 1.00 0.00 C ATOM 187 O GLU A 14 -1.871 3.815 8.966 1.00 0.00 O ATOM 188 CB GLU A 14 -2.787 6.914 9.614 1.00 0.00 C ATOM 189 CG GLU A 14 -2.635 7.515 11.013 1.00 0.00 C ATOM 190 CD GLU A 14 -3.582 8.704 11.161 1.00 0.00 C ATOM 191 OE1 GLU A 14 -3.363 9.727 10.489 1.00 0.00 O ATOM 192 OE2 GLU A 14 -4.573 8.608 11.933 1.00 0.00 O ATOM 0 H GLU A 14 -2.017 5.443 7.214 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.640 6.662 9.510 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.024 7.710 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.632 6.225 9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.857 6.763 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.605 7.834 11.174 1.00 0.00 H new ATOM 199 N GLN A 15 -1.133 4.578 10.935 1.00 0.00 N ATOM 200 CA GLN A 15 -0.898 3.265 11.568 1.00 0.00 C ATOM 201 C GLN A 15 -2.116 2.342 11.567 1.00 0.00 C ATOM 202 O GLN A 15 -1.959 1.133 11.668 1.00 0.00 O ATOM 203 CB GLN A 15 -0.396 3.484 13.007 1.00 0.00 C ATOM 204 CG GLN A 15 -0.247 2.196 13.850 1.00 0.00 C ATOM 205 CD GLN A 15 0.826 2.272 14.935 1.00 0.00 C ATOM 206 OE1 GLN A 15 2.000 2.075 14.648 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.495 2.548 16.181 1.00 0.00 N ATOM 0 H GLN A 15 -0.982 5.361 11.571 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.146 2.755 10.965 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.570 3.987 12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.085 4.157 13.518 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -1.205 1.970 14.319 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.014 1.365 13.184 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.482 2.713 16.425 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.216 2.597 16.901 1.00 0.00 H new ATOM 216 N LEU A 16 -3.315 2.898 11.460 1.00 0.00 N ATOM 217 CA LEU A 16 -4.579 2.180 11.497 1.00 0.00 C ATOM 218 C LEU A 16 -5.413 2.474 10.255 1.00 0.00 C ATOM 219 O LEU A 16 -6.598 2.140 10.230 1.00 0.00 O ATOM 220 CB LEU A 16 -5.391 2.638 12.724 1.00 0.00 C ATOM 221 CG LEU A 16 -4.707 2.484 14.079 1.00 0.00 C ATOM 222 CD1 LEU A 16 -5.629 2.993 15.190 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.332 1.034 14.337 1.00 0.00 C ATOM 0 H LEU A 16 -3.437 3.904 11.340 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.357 1.114 11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.653 3.688 12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.325 2.077 12.746 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.792 3.077 14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.134 2.880 16.154 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.857 4.045 15.020 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.554 2.417 15.187 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.846 0.951 15.309 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.231 0.418 14.327 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.649 0.691 13.560 1.00 0.00 H new ATOM 235 N GLN A 17 -4.846 3.153 9.256 1.00 0.00 N ATOM 236 CA GLN A 17 -5.572 3.435 8.029 1.00 0.00 C ATOM 237 C GLN A 17 -5.899 2.125 7.299 1.00 0.00 C ATOM 238 O GLN A 17 -5.411 1.052 7.657 1.00 0.00 O ATOM 239 CB GLN A 17 -4.745 4.359 7.128 1.00 0.00 C ATOM 240 CG GLN A 17 -5.575 5.455 6.456 1.00 0.00 C ATOM 241 CD GLN A 17 -4.780 6.154 5.360 1.00 0.00 C ATOM 242 OE1 GLN A 17 -3.834 5.604 4.807 1.00 0.00 O ATOM 243 NE2 GLN A 17 -5.179 7.354 4.991 1.00 0.00 N ATOM 0 H GLN A 17 -3.892 3.513 9.277 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.507 3.938 8.277 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.957 4.823 7.721 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.255 3.761 6.359 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.480 5.021 6.032 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.891 6.185 7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.968 7.796 5.462 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.699 7.841 4.234 1.00 0.00 H new ATOM 252 N LYS A 18 -6.654 2.222 6.208 1.00 0.00 N ATOM 253 CA LYS A 18 -6.829 1.148 5.243 1.00 0.00 C ATOM 254 C LYS A 18 -6.267 1.589 3.904 1.00 0.00 C ATOM 255 O LYS A 18 -6.361 2.769 3.560 1.00 0.00 O ATOM 256 CB LYS A 18 -8.310 0.769 5.140 1.00 0.00 C ATOM 257 CG LYS A 18 -8.734 -0.194 6.250 1.00 0.00 C ATOM 258 CD LYS A 18 -10.154 0.105 6.749 1.00 0.00 C ATOM 259 CE LYS A 18 -11.212 -0.095 5.659 1.00 0.00 C ATOM 260 NZ LYS A 18 -12.562 0.264 6.136 1.00 0.00 N ATOM 0 H LYS A 18 -7.171 3.068 5.968 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.288 0.259 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.919 1.671 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.500 0.310 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.686 -1.218 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.033 -0.122 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.382 -0.542 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.200 1.132 7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.959 0.513 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.206 -1.135 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.251 0.116 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.813 -0.334 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.574 1.263 6.424 1.00 0.00 H new ATOM 274 N VAL A 19 -5.704 0.646 3.153 1.00 0.00 N ATOM 275 CA VAL A 19 -5.102 0.883 1.842 1.00 0.00 C ATOM 276 C VAL A 19 -5.479 -0.249 0.886 1.00 0.00 C ATOM 277 O VAL A 19 -5.795 -1.359 1.317 1.00 0.00 O ATOM 278 CB VAL A 19 -3.579 1.059 1.952 1.00 0.00 C ATOM 279 CG1 VAL A 19 -3.204 2.382 2.634 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.889 -0.084 2.711 1.00 0.00 C ATOM 0 H VAL A 19 -5.652 -0.330 3.446 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.495 1.815 1.436 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.225 1.055 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.119 2.467 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.603 3.215 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.624 2.405 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.816 0.102 2.752 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.287 -0.140 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.074 -1.027 2.196 1.00 0.00 H new ATOM 290 N ASN A 20 -5.425 0.052 -0.411 1.00 0.00 N ATOM 291 CA ASN A 20 -5.687 -0.843 -1.528 1.00 0.00 C ATOM 292 C ASN A 20 -4.366 -1.452 -2.015 1.00 0.00 C ATOM 293 O ASN A 20 -3.370 -0.724 -2.080 1.00 0.00 O ATOM 294 CB ASN A 20 -6.331 0.005 -2.642 1.00 0.00 C ATOM 295 CG ASN A 20 -7.745 -0.453 -2.962 1.00 0.00 C ATOM 296 OD1 ASN A 20 -8.688 0.326 -2.835 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.952 -1.701 -3.331 1.00 0.00 N ATOM 0 H ASN A 20 -5.180 0.991 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.349 -1.659 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.349 1.051 -2.336 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.719 -0.054 -3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.901 -2.028 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.164 -2.340 -3.434 1.00 0.00 H new ATOM 304 N LEU A 21 -4.338 -2.735 -2.403 1.00 0.00 N ATOM 305 CA LEU A 21 -3.121 -3.542 -2.546 1.00 0.00 C ATOM 306 C LEU A 21 -3.039 -4.295 -3.886 1.00 0.00 C ATOM 307 O LEU A 21 -3.112 -5.531 -3.916 1.00 0.00 O ATOM 308 CB LEU A 21 -3.028 -4.581 -1.413 1.00 0.00 C ATOM 309 CG LEU A 21 -3.283 -4.141 0.021 1.00 0.00 C ATOM 310 CD1 LEU A 21 -3.203 -5.397 0.892 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.233 -3.135 0.502 1.00 0.00 C ATOM 0 H LEU A 21 -5.186 -3.253 -2.632 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.294 -2.833 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.734 -5.380 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.030 -5.018 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.256 -3.654 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.380 -5.129 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.958 -6.113 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.214 -5.844 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.450 -2.846 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.244 -3.591 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.256 -2.252 -0.136 1.00 0.00 H new ATOM 323 N THR A 22 -2.821 -3.593 -4.996 1.00 0.00 N ATOM 324 CA THR A 22 -2.572 -4.239 -6.283 1.00 0.00 C ATOM 325 C THR A 22 -1.302 -5.088 -6.157 1.00 0.00 C ATOM 326 O THR A 22 -0.300 -4.583 -5.650 1.00 0.00 O ATOM 327 CB THR A 22 -2.383 -3.191 -7.403 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.222 -2.054 -7.280 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.664 -3.821 -8.770 1.00 0.00 C ATOM 0 H THR A 22 -2.812 -2.574 -5.030 1.00 0.00 H new ATOM 0 HA THR A 22 -3.428 -4.860 -6.544 1.00 0.00 H new ATOM 0 HB THR A 22 -1.349 -2.859 -7.309 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.046 -1.436 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.527 -3.073 -9.551 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.976 -4.649 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.689 -4.190 -8.797 1.00 0.00 H new ATOM 337 N VAL A 23 -1.307 -6.338 -6.630 1.00 0.00 N ATOM 338 CA VAL A 23 -0.091 -7.124 -6.873 1.00 0.00 C ATOM 339 C VAL A 23 -0.128 -7.637 -8.315 1.00 0.00 C ATOM 340 O VAL A 23 -1.067 -8.355 -8.657 1.00 0.00 O ATOM 341 CB VAL A 23 0.036 -8.326 -5.903 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.458 -8.885 -6.018 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.262 -8.090 -4.412 1.00 0.00 C ATOM 0 H VAL A 23 -2.165 -6.840 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 23 0.772 -6.480 -6.704 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.751 -9.007 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.571 -9.733 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.640 -9.210 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.176 -8.110 -5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.131 -9.022 -3.863 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.422 -7.338 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.289 -7.743 -4.297 1.00 0.00 H new ATOM 353 N ARG A 24 0.853 -7.317 -9.180 1.00 0.00 N ATOM 354 CA ARG A 24 0.879 -7.907 -10.523 1.00 0.00 C ATOM 355 C ARG A 24 1.039 -9.415 -10.397 1.00 0.00 C ATOM 356 O ARG A 24 1.881 -9.865 -9.617 1.00 0.00 O ATOM 357 CB ARG A 24 1.931 -7.259 -11.444 1.00 0.00 C ATOM 358 CG ARG A 24 3.279 -7.993 -11.516 1.00 0.00 C ATOM 359 CD ARG A 24 4.332 -7.174 -12.266 1.00 0.00 C ATOM 360 NE ARG A 24 5.731 -7.518 -11.947 1.00 0.00 N ATOM 361 CZ ARG A 24 6.412 -8.652 -12.133 1.00 0.00 C ATOM 362 NH1 ARG A 24 5.799 -9.791 -12.408 1.00 0.00 N ATOM 363 NH2 ARG A 24 7.739 -8.661 -12.049 1.00 0.00 N ATOM 0 H ARG A 24 1.616 -6.671 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.070 -7.699 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.518 -7.192 -12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.109 -6.239 -11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.633 -8.203 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.144 -8.954 -12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.177 -7.304 -13.337 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.174 -6.118 -12.046 1.00 0.00 H new ATOM 0 HE ARG A 24 6.266 -6.766 -11.513 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.782 -9.818 -12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.343 -10.643 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.243 -7.799 -11.841 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.253 -9.530 -12.192 1.00 0.00 H new ATOM 377 N LEU A 25 0.288 -10.174 -11.192 1.00 0.00 N ATOM 378 CA LEU A 25 0.419 -11.610 -11.347 1.00 0.00 C ATOM 379 C LEU A 25 0.250 -11.832 -12.842 1.00 0.00 C ATOM 380 O LEU A 25 -0.855 -11.738 -13.366 1.00 0.00 O ATOM 381 CB LEU A 25 -0.664 -12.369 -10.561 1.00 0.00 C ATOM 382 CG LEU A 25 -0.676 -12.181 -9.035 1.00 0.00 C ATOM 383 CD1 LEU A 25 -1.929 -12.867 -8.481 1.00 0.00 C ATOM 384 CD2 LEU A 25 0.574 -12.766 -8.373 1.00 0.00 C ATOM 0 H LEU A 25 -0.458 -9.783 -11.767 1.00 0.00 H new ATOM 0 HA LEU A 25 1.370 -11.979 -10.963 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.638 -12.068 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.553 -13.433 -10.771 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.683 -11.114 -8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.961 -12.747 -7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.817 -12.414 -8.922 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.902 -13.928 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.522 -12.610 -7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.631 -13.834 -8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.461 -12.271 -8.769 1.00 0.00 H new ATOM 436 N SER A 30 -3.527 -9.816 -12.102 1.00 0.00 N ATOM 437 CA SER A 30 -3.077 -9.145 -10.907 1.00 0.00 C ATOM 438 C SER A 30 -4.133 -9.193 -9.815 1.00 0.00 C ATOM 439 O SER A 30 -5.328 -9.023 -10.059 1.00 0.00 O ATOM 440 CB SER A 30 -2.707 -7.719 -11.286 1.00 0.00 C ATOM 441 OG SER A 30 -1.946 -7.750 -12.492 1.00 0.00 O ATOM 0 HA SER A 30 -2.203 -9.650 -10.496 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.606 -7.119 -11.422 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.130 -7.253 -10.487 1.00 0.00 H new ATOM 0 HG SER A 30 -2.285 -8.462 -13.074 1.00 0.00 H new ATOM 447 N PHE A 31 -3.677 -9.437 -8.599 1.00 0.00 N ATOM 448 CA PHE A 31 -4.525 -9.498 -7.431 1.00 0.00 C ATOM 449 C PHE A 31 -4.777 -8.057 -6.995 1.00 0.00 C ATOM 450 O PHE A 31 -3.966 -7.170 -7.264 1.00 0.00 O ATOM 451 CB PHE A 31 -3.843 -10.356 -6.354 1.00 0.00 C ATOM 452 CG PHE A 31 -4.545 -10.321 -5.014 1.00 0.00 C ATOM 453 CD1 PHE A 31 -5.664 -11.140 -4.773 1.00 0.00 C ATOM 454 CD2 PHE A 31 -4.117 -9.415 -4.027 1.00 0.00 C ATOM 455 CE1 PHE A 31 -6.356 -11.047 -3.553 1.00 0.00 C ATOM 456 CE2 PHE A 31 -4.806 -9.329 -2.808 1.00 0.00 C ATOM 457 CZ PHE A 31 -5.921 -10.144 -2.572 1.00 0.00 C ATOM 0 H PHE A 31 -2.691 -9.600 -8.397 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.486 -9.973 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.794 -11.388 -6.702 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.816 -10.013 -6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.991 -11.841 -5.527 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.258 -8.786 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.220 -11.669 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.476 -8.634 -2.050 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.447 -10.077 -1.631 1.00 0.00 H new ATOM 467 N ASP A 32 -5.891 -7.813 -6.317 1.00 0.00 N ATOM 468 CA ASP A 32 -6.063 -6.657 -5.446 1.00 0.00 C ATOM 469 C ASP A 32 -6.799 -7.146 -4.212 1.00 0.00 C ATOM 470 O ASP A 32 -7.727 -7.953 -4.342 1.00 0.00 O ATOM 471 CB ASP A 32 -6.861 -5.530 -6.115 1.00 0.00 C ATOM 472 CG ASP A 32 -7.333 -4.533 -5.050 1.00 0.00 C ATOM 473 OD1 ASP A 32 -6.494 -3.719 -4.603 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.507 -4.622 -4.618 1.00 0.00 O ATOM 0 H ASP A 32 -6.710 -8.419 -6.357 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.087 -6.238 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.242 -5.022 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.718 -5.943 -6.646 1.00 0.00 H new ATOM 479 N GLY A 33 -6.421 -6.621 -3.049 1.00 0.00 N ATOM 480 CA GLY A 33 -7.211 -6.719 -1.835 1.00 0.00 C ATOM 481 C GLY A 33 -7.048 -5.422 -1.061 1.00 0.00 C ATOM 482 O GLY A 33 -6.254 -4.555 -1.439 1.00 0.00 O ATOM 0 H GLY A 33 -5.546 -6.111 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.260 -6.889 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.881 -7.566 -1.233 1.00 0.00 H new ATOM 486 N THR A 34 -7.792 -5.279 0.022 1.00 0.00 N ATOM 487 CA THR A 34 -7.661 -4.181 0.966 1.00 0.00 C ATOM 488 C THR A 34 -6.840 -4.693 2.156 1.00 0.00 C ATOM 489 O THR A 34 -6.726 -5.904 2.357 1.00 0.00 O ATOM 490 CB THR A 34 -9.069 -3.691 1.383 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.047 -3.960 0.386 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.066 -2.183 1.651 1.00 0.00 C ATOM 0 H THR A 34 -8.524 -5.942 0.277 1.00 0.00 H new ATOM 0 HA THR A 34 -7.147 -3.326 0.528 1.00 0.00 H new ATOM 0 HB THR A 34 -9.324 -4.238 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.921 -3.637 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.067 -1.863 1.942 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.365 -1.958 2.454 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.765 -1.653 0.747 1.00 0.00 H new ATOM 500 N ALA A 35 -6.312 -3.809 3.001 1.00 0.00 N ATOM 501 CA ALA A 35 -5.871 -4.195 4.333 1.00 0.00 C ATOM 502 C ALA A 35 -6.055 -3.053 5.301 1.00 0.00 C ATOM 503 O ALA A 35 -6.115 -1.896 4.875 1.00 0.00 O ATOM 504 CB ALA A 35 -4.398 -4.603 4.322 1.00 0.00 C ATOM 0 H ALA A 35 -6.181 -2.821 2.783 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.477 -5.044 4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.092 -4.887 5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.260 -5.449 3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.791 -3.764 3.981 1.00 0.00 H new ATOM 510 N ALA A 36 -6.085 -3.386 6.593 1.00 0.00 N ATOM 511 CA ALA A 36 -5.786 -2.431 7.638 1.00 0.00 C ATOM 512 C ALA A 36 -4.267 -2.362 7.780 1.00 0.00 C ATOM 513 O ALA A 36 -3.574 -3.367 7.595 1.00 0.00 O ATOM 514 CB ALA A 36 -6.419 -2.890 8.956 1.00 0.00 C ATOM 0 H ALA A 36 -6.316 -4.320 6.933 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.189 -1.449 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.191 -2.168 9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.500 -2.964 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.017 -3.865 9.233 1.00 0.00 H new ATOM 520 N ILE A 37 -3.765 -1.182 8.125 1.00 0.00 N ATOM 521 CA ILE A 37 -2.405 -0.975 8.592 1.00 0.00 C ATOM 522 C ILE A 37 -2.378 -1.389 10.070 1.00 0.00 C ATOM 523 O ILE A 37 -3.407 -1.434 10.759 1.00 0.00 O ATOM 524 CB ILE A 37 -1.963 0.491 8.306 1.00 0.00 C ATOM 525 CG1 ILE A 37 -2.085 0.770 6.784 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.513 0.780 8.745 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.790 2.201 6.334 1.00 0.00 C ATOM 0 H ILE A 37 -4.310 -0.321 8.085 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.673 -1.585 8.064 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.618 1.141 8.886 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.407 0.099 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.096 0.513 6.469 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.264 1.817 8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.416 0.609 9.817 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.168 0.119 8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.907 2.274 5.253 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.484 2.886 6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.768 2.465 6.607 1.00 0.00 H new ATOM 539 N THR A 38 -1.177 -1.715 10.533 1.00 0.00 N ATOM 540 CA THR A 38 -0.883 -2.147 11.890 1.00 0.00 C ATOM 541 C THR A 38 0.295 -1.365 12.482 1.00 0.00 C ATOM 542 O THR A 38 0.294 -1.095 13.684 1.00 0.00 O ATOM 543 CB THR A 38 -0.693 -3.682 11.932 1.00 0.00 C ATOM 544 OG1 THR A 38 0.577 -4.117 11.470 1.00 0.00 O ATOM 545 CG2 THR A 38 -1.723 -4.418 11.073 1.00 0.00 C ATOM 0 H THR A 38 -0.345 -1.683 9.944 1.00 0.00 H new ATOM 0 HA THR A 38 -1.734 -1.919 12.532 1.00 0.00 H new ATOM 0 HB THR A 38 -0.807 -3.919 12.990 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.628 -5.094 11.526 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.548 -5.492 11.135 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.726 -4.192 11.434 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.630 -4.095 10.036 1.00 0.00 H new ATOM 553 N SER A 39 1.274 -0.964 11.659 1.00 0.00 N ATOM 554 CA SER A 39 2.375 -0.062 12.004 1.00 0.00 C ATOM 555 C SER A 39 2.830 0.673 10.737 1.00 0.00 C ATOM 556 O SER A 39 2.675 0.128 9.641 1.00 0.00 O ATOM 557 CB SER A 39 3.542 -0.857 12.603 1.00 0.00 C ATOM 558 OG SER A 39 3.139 -1.619 13.728 1.00 0.00 O ATOM 0 H SER A 39 1.319 -1.276 10.689 1.00 0.00 H new ATOM 0 HA SER A 39 2.037 0.662 12.746 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.957 -1.521 11.844 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.337 -0.171 12.895 1.00 0.00 H new ATOM 0 HG SER A 39 3.908 -2.113 14.081 1.00 0.00 H new ATOM 564 N LEU A 40 3.436 1.862 10.857 1.00 0.00 N ATOM 565 CA LEU A 40 3.939 2.669 9.743 1.00 0.00 C ATOM 566 C LEU A 40 5.179 3.428 10.210 1.00 0.00 C ATOM 567 O LEU A 40 5.075 4.316 11.054 1.00 0.00 O ATOM 568 CB LEU A 40 2.848 3.642 9.260 1.00 0.00 C ATOM 569 CG LEU A 40 3.311 4.595 8.137 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.557 3.875 6.804 1.00 0.00 C ATOM 571 CD2 LEU A 40 2.234 5.662 7.930 1.00 0.00 C ATOM 0 H LEU A 40 3.594 2.301 11.764 1.00 0.00 H new ATOM 0 HA LEU A 40 4.206 2.025 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.993 3.066 8.905 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.503 4.235 10.107 1.00 0.00 H new ATOM 0 HG LEU A 40 4.260 5.033 8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.880 4.597 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.331 3.119 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.635 3.397 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.545 6.345 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.297 5.183 7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.092 6.220 8.856 1.00 0.00 H new ATOM 583 N LYS A 41 6.352 3.096 9.673 1.00 0.00 N ATOM 584 CA LYS A 41 7.643 3.592 10.109 1.00 0.00 C ATOM 585 C LYS A 41 8.401 4.009 8.861 1.00 0.00 C ATOM 586 O LYS A 41 9.004 3.180 8.189 1.00 0.00 O ATOM 587 CB LYS A 41 8.381 2.532 10.940 1.00 0.00 C ATOM 588 CG LYS A 41 9.507 3.213 11.722 1.00 0.00 C ATOM 589 CD LYS A 41 10.320 2.222 12.556 1.00 0.00 C ATOM 590 CE LYS A 41 11.410 1.555 11.716 1.00 0.00 C ATOM 591 NZ LYS A 41 12.400 0.855 12.553 1.00 0.00 N ATOM 0 H LYS A 41 6.425 2.446 8.890 1.00 0.00 H new ATOM 0 HA LYS A 41 7.541 4.453 10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.690 2.041 11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.788 1.758 10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.170 3.727 11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.082 3.973 12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.774 2.740 13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.658 1.461 12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.953 0.846 11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.914 2.309 11.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.121 0.417 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.855 1.535 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.924 0.118 13.111 1.00 0.00 H new ATOM 605 N GLY A 42 8.310 5.291 8.520 1.00 0.00 N ATOM 606 CA GLY A 42 8.832 5.820 7.274 1.00 0.00 C ATOM 607 C GLY A 42 8.334 5.025 6.067 1.00 0.00 C ATOM 608 O GLY A 42 7.133 4.776 5.961 1.00 0.00 O ATOM 0 H GLY A 42 7.867 5.995 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.535 6.864 7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.922 5.799 7.298 1.00 0.00 H new ATOM 612 N SER A 43 9.238 4.632 5.168 1.00 0.00 N ATOM 613 CA SER A 43 8.998 3.758 4.020 1.00 0.00 C ATOM 614 C SER A 43 8.838 2.301 4.468 1.00 0.00 C ATOM 615 O SER A 43 9.423 1.402 3.865 1.00 0.00 O ATOM 616 CB SER A 43 10.159 3.905 3.024 1.00 0.00 C ATOM 617 OG SER A 43 11.425 3.736 3.634 1.00 0.00 O ATOM 0 H SER A 43 10.211 4.932 5.225 1.00 0.00 H new ATOM 0 HA SER A 43 8.069 4.051 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.043 3.171 2.226 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.112 4.890 2.560 1.00 0.00 H new ATOM 0 HG SER A 43 12.129 3.837 2.960 1.00 0.00 H new ATOM 623 N LEU A 44 8.091 2.056 5.540 1.00 0.00 N ATOM 624 CA LEU A 44 7.729 0.704 5.935 1.00 0.00 C ATOM 625 C LEU A 44 6.403 0.670 6.672 1.00 0.00 C ATOM 626 O LEU A 44 6.346 1.045 7.844 1.00 0.00 O ATOM 627 CB LEU A 44 8.821 0.032 6.771 1.00 0.00 C ATOM 628 CG LEU A 44 8.597 -1.496 6.728 1.00 0.00 C ATOM 629 CD1 LEU A 44 9.190 -2.122 5.468 1.00 0.00 C ATOM 630 CD2 LEU A 44 9.233 -2.180 7.927 1.00 0.00 C ATOM 0 H LEU A 44 7.724 2.784 6.153 1.00 0.00 H new ATOM 0 HA LEU A 44 7.622 0.135 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.807 0.282 6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.787 0.392 7.799 1.00 0.00 H new ATOM 0 HG LEU A 44 7.517 -1.642 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.011 -3.197 5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.720 -1.683 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.263 -1.933 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.058 -3.254 7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.306 -1.987 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.792 -1.790 8.844 1.00 0.00 H new ATOM 642 N ALA A 45 5.348 0.160 6.043 1.00 0.00 N ATOM 643 CA ALA A 45 4.141 -0.198 6.774 1.00 0.00 C ATOM 644 C ALA A 45 4.133 -1.697 7.022 1.00 0.00 C ATOM 645 O ALA A 45 4.862 -2.447 6.373 1.00 0.00 O ATOM 646 CB ALA A 45 2.873 0.255 6.043 1.00 0.00 C ATOM 0 H ALA A 45 5.306 -0.013 5.039 1.00 0.00 H new ATOM 0 HA ALA A 45 4.145 0.324 7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.996 -0.032 6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.890 1.338 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.830 -0.218 5.062 1.00 0.00 H new ATOM 652 N TRP A 46 3.258 -2.118 7.925 1.00 0.00 N ATOM 653 CA TRP A 46 2.833 -3.492 8.112 1.00 0.00 C ATOM 654 C TRP A 46 1.311 -3.525 8.061 1.00 0.00 C ATOM 655 O TRP A 46 0.647 -2.537 8.399 1.00 0.00 O ATOM 656 CB TRP A 46 3.395 -4.058 9.419 1.00 0.00 C ATOM 657 CG TRP A 46 4.761 -4.653 9.289 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.929 -3.975 9.216 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.102 -6.059 9.094 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.970 -4.872 9.091 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.517 -6.168 8.966 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.352 -7.247 8.976 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.154 -7.393 8.717 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.974 -8.474 8.688 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.371 -8.544 8.541 1.00 0.00 C ATOM 0 H TRP A 46 2.805 -1.477 8.577 1.00 0.00 H new ATOM 0 HA TRP A 46 3.222 -4.130 7.319 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.426 -3.262 10.163 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.713 -4.820 9.796 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.031 -2.900 9.250 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.955 -4.608 9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.281 -7.214 9.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.231 -7.449 8.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.377 -9.367 8.579 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.841 -9.484 8.293 1.00 0.00 H new ATOM 676 N LEU A 47 0.783 -4.643 7.574 1.00 0.00 N ATOM 677 CA LEU A 47 -0.592 -4.822 7.137 1.00 0.00 C ATOM 678 C LEU A 47 -1.122 -6.153 7.671 1.00 0.00 C ATOM 679 O LEU A 47 -0.364 -6.945 8.244 1.00 0.00 O ATOM 680 CB LEU A 47 -0.625 -4.831 5.599 1.00 0.00 C ATOM 681 CG LEU A 47 -0.128 -3.552 4.909 1.00 0.00 C ATOM 682 CD1 LEU A 47 0.083 -3.822 3.425 1.00 0.00 C ATOM 683 CD2 LEU A 47 -1.108 -2.388 5.057 1.00 0.00 C ATOM 0 H LEU A 47 1.336 -5.494 7.469 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.214 -4.010 7.514 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.022 -5.668 5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.650 -5.019 5.278 1.00 0.00 H new ATOM 0 HG LEU A 47 0.807 -3.271 5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.436 -2.914 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.824 -4.612 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.859 -4.134 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.708 -1.509 4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.065 -2.659 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.251 -2.165 6.114 1.00 0.00 H new ATOM 695 N GLU A 48 -2.421 -6.397 7.494 1.00 0.00 N ATOM 696 CA GLU A 48 -3.081 -7.613 7.965 1.00 0.00 C ATOM 697 C GLU A 48 -4.294 -8.054 7.136 1.00 0.00 C ATOM 698 O GLU A 48 -5.172 -8.755 7.647 1.00 0.00 O ATOM 699 CB GLU A 48 -3.381 -7.488 9.460 1.00 0.00 C ATOM 700 CG GLU A 48 -4.395 -6.401 9.811 1.00 0.00 C ATOM 701 CD GLU A 48 -4.586 -6.280 11.327 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.408 -7.292 12.051 1.00 0.00 O ATOM 703 OE2 GLU A 48 -4.953 -5.180 11.804 1.00 0.00 O ATOM 0 H GLU A 48 -3.049 -5.751 7.016 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.380 -8.434 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.752 -8.446 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.450 -7.284 9.989 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.060 -5.445 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.351 -6.628 9.340 1.00 0.00 H new ATOM 710 N LEU A 49 -4.330 -7.709 5.848 1.00 0.00 N ATOM 711 CA LEU A 49 -5.447 -7.911 4.928 1.00 0.00 C ATOM 712 C LEU A 49 -6.771 -7.361 5.464 1.00 0.00 C ATOM 713 O LEU A 49 -6.821 -6.638 6.466 1.00 0.00 O ATOM 714 CB LEU A 49 -5.528 -9.387 4.468 1.00 0.00 C ATOM 715 CG LEU A 49 -4.879 -9.660 3.101 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.176 -11.106 2.704 1.00 0.00 C ATOM 717 CD2 LEU A 49 -5.415 -8.775 1.965 1.00 0.00 C ATOM 0 H LEU A 49 -3.536 -7.256 5.395 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.247 -7.316 4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.047 -10.016 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.576 -9.685 4.426 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.817 -9.448 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.723 -11.318 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.763 -11.781 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.254 -11.251 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.907 -9.029 1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.486 -8.940 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.233 -7.727 2.203 1.00 0.00 H new ATOM 729 N PHE A 50 -7.843 -7.624 4.724 1.00 0.00 N ATOM 730 CA PHE A 50 -9.208 -7.317 5.076 1.00 0.00 C ATOM 731 C PHE A 50 -10.021 -8.572 4.829 1.00 0.00 C ATOM 732 O PHE A 50 -9.991 -9.117 3.728 1.00 0.00 O ATOM 733 CB PHE A 50 -9.716 -6.152 4.216 1.00 0.00 C ATOM 734 CG PHE A 50 -10.337 -5.049 5.032 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.524 -4.330 5.922 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.701 -4.737 4.913 1.00 0.00 C ATOM 737 CE1 PHE A 50 -10.082 -3.333 6.733 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.263 -3.749 5.738 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.464 -3.078 6.679 1.00 0.00 C ATOM 0 H PHE A 50 -7.769 -8.082 3.815 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.293 -7.013 6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.887 -5.746 3.637 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.450 -6.527 3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.467 -4.545 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.315 -5.254 4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.452 -2.761 7.398 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.311 -3.505 5.649 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.910 -2.368 7.359 1.00 0.00 H new ATOM 781 N GLN A 54 -8.537 -12.748 0.429 1.00 0.00 N ATOM 782 CA GLN A 54 -7.112 -13.063 0.383 1.00 0.00 C ATOM 783 C GLN A 54 -6.711 -13.630 -0.992 1.00 0.00 C ATOM 784 O GLN A 54 -7.562 -14.195 -1.690 1.00 0.00 O ATOM 785 CB GLN A 54 -6.721 -13.969 1.567 1.00 0.00 C ATOM 786 CG GLN A 54 -7.200 -15.423 1.486 1.00 0.00 C ATOM 787 CD GLN A 54 -6.649 -16.252 2.647 1.00 0.00 C ATOM 788 OE1 GLN A 54 -7.378 -16.610 3.571 1.00 0.00 O ATOM 789 NE2 GLN A 54 -5.361 -16.567 2.646 1.00 0.00 N ATOM 0 HA GLN A 54 -6.538 -12.144 0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.635 -13.969 1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.115 -13.528 2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.290 -15.451 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.882 -15.861 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.763 -16.266 1.876 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.968 -17.110 3.415 1.00 0.00 H new ATOM 798 N PRO A 55 -5.428 -13.529 -1.387 1.00 0.00 N ATOM 799 CA PRO A 55 -4.950 -14.058 -2.660 1.00 0.00 C ATOM 800 C PRO A 55 -4.967 -15.595 -2.699 1.00 0.00 C ATOM 801 O PRO A 55 -5.238 -16.255 -1.685 1.00 0.00 O ATOM 802 CB PRO A 55 -3.534 -13.486 -2.845 1.00 0.00 C ATOM 803 CG PRO A 55 -3.074 -13.112 -1.444 1.00 0.00 C ATOM 804 CD PRO A 55 -4.362 -12.818 -0.689 1.00 0.00 C ATOM 0 HA PRO A 55 -5.605 -13.759 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.867 -14.221 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.542 -12.617 -3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.517 -13.925 -0.978 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.416 -12.243 -1.460 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.288 -13.151 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.562 -11.747 -0.666 1.00 0.00 H new ATOM 812 N PRO A 56 -4.640 -16.194 -3.859 1.00 0.00 N ATOM 813 CA PRO A 56 -4.224 -17.586 -3.894 1.00 0.00 C ATOM 814 C PRO A 56 -2.972 -17.800 -3.015 1.00 0.00 C ATOM 815 O PRO A 56 -2.162 -16.880 -2.852 1.00 0.00 O ATOM 816 CB PRO A 56 -3.950 -17.899 -5.372 1.00 0.00 C ATOM 817 CG PRO A 56 -3.701 -16.535 -6.014 1.00 0.00 C ATOM 818 CD PRO A 56 -4.533 -15.574 -5.177 1.00 0.00 C ATOM 0 HA PRO A 56 -4.987 -18.254 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.086 -18.554 -5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.797 -18.406 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.644 -16.271 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.010 -16.524 -7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.056 -14.596 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.517 -15.420 -5.619 1.00 0.00 H new ATOM 826 N PRO A 57 -2.753 -19.029 -2.513 1.00 0.00 N ATOM 827 CA PRO A 57 -1.562 -19.390 -1.754 1.00 0.00 C ATOM 828 C PRO A 57 -0.326 -19.314 -2.647 1.00 0.00 C ATOM 829 O PRO A 57 -0.454 -19.149 -3.857 1.00 0.00 O ATOM 830 CB PRO A 57 -1.815 -20.822 -1.267 1.00 0.00 C ATOM 831 CG PRO A 57 -2.700 -21.401 -2.366 1.00 0.00 C ATOM 832 CD PRO A 57 -3.570 -20.206 -2.747 1.00 0.00 C ATOM 0 HA PRO A 57 -1.379 -18.715 -0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.886 -21.382 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.312 -20.838 -0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.114 -21.763 -3.211 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.296 -22.240 -2.008 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.880 -20.265 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.479 -20.177 -2.146 1.00 0.00 H new ATOM 840 N ASN A 58 0.872 -19.509 -2.083 1.00 0.00 N ATOM 841 CA ASN A 58 2.166 -19.626 -2.783 1.00 0.00 C ATOM 842 C ASN A 58 2.526 -18.497 -3.765 1.00 0.00 C ATOM 843 O ASN A 58 3.564 -18.588 -4.426 1.00 0.00 O ATOM 844 CB ASN A 58 2.320 -21.016 -3.441 1.00 0.00 C ATOM 845 CG ASN A 58 1.552 -21.172 -4.752 1.00 0.00 C ATOM 846 OD1 ASN A 58 1.996 -20.752 -5.814 1.00 0.00 O ATOM 847 ND2 ASN A 58 0.374 -21.776 -4.694 1.00 0.00 N ATOM 0 H ASN A 58 0.975 -19.595 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 58 2.900 -19.509 -1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.378 -21.203 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.980 -21.778 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.179 -21.898 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.020 -22.119 -3.801 1.00 0.00 H new ATOM 854 N THR A 59 1.719 -17.440 -3.854 1.00 0.00 N ATOM 855 CA THR A 59 1.733 -16.487 -4.955 1.00 0.00 C ATOM 856 C THR A 59 2.280 -15.124 -4.503 1.00 0.00 C ATOM 857 O THR A 59 2.948 -14.448 -5.286 1.00 0.00 O ATOM 858 CB THR A 59 0.308 -16.473 -5.550 1.00 0.00 C ATOM 859 OG1 THR A 59 0.000 -17.766 -6.046 1.00 0.00 O ATOM 860 CG2 THR A 59 0.075 -15.506 -6.687 1.00 0.00 C ATOM 0 H THR A 59 1.021 -17.221 -3.143 1.00 0.00 H new ATOM 0 HA THR A 59 2.421 -16.776 -5.749 1.00 0.00 H new ATOM 0 HB THR A 59 -0.327 -16.150 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.471 -18.277 -5.356 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.959 -15.583 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.270 -14.489 -6.346 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.745 -15.747 -7.512 1.00 0.00 H new ATOM 868 N LEU A 60 2.078 -14.723 -3.241 1.00 0.00 N ATOM 869 CA LEU A 60 2.753 -13.569 -2.640 1.00 0.00 C ATOM 870 C LEU A 60 4.240 -13.875 -2.440 1.00 0.00 C ATOM 871 O LEU A 60 4.604 -14.977 -2.020 1.00 0.00 O ATOM 872 CB LEU A 60 2.098 -13.193 -1.298 1.00 0.00 C ATOM 873 CG LEU A 60 0.939 -12.195 -1.470 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.145 -12.062 -0.175 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.418 -10.789 -1.868 1.00 0.00 C ATOM 0 H LEU A 60 1.436 -15.195 -2.605 1.00 0.00 H new ATOM 0 HA LEU A 60 2.656 -12.720 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.728 -14.096 -0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.850 -12.762 -0.638 1.00 0.00 H new ATOM 0 HG LEU A 60 0.319 -12.598 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.669 -11.352 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.265 -13.033 0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.801 -11.706 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.558 -10.128 -1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.082 -10.399 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.955 -10.842 -2.815 1.00 0.00 H new ATOM 887 N SER A 61 5.107 -12.894 -2.711 1.00 0.00 N ATOM 888 CA SER A 61 6.557 -12.996 -2.561 1.00 0.00 C ATOM 889 C SER A 61 7.122 -11.682 -2.010 1.00 0.00 C ATOM 890 O SER A 61 6.542 -10.622 -2.245 1.00 0.00 O ATOM 891 CB SER A 61 7.208 -13.245 -3.924 1.00 0.00 C ATOM 892 OG SER A 61 6.395 -13.908 -4.873 1.00 0.00 O ATOM 0 H SER A 61 4.807 -11.980 -3.051 1.00 0.00 H new ATOM 0 HA SER A 61 6.771 -13.819 -1.879 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.516 -12.286 -4.341 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.114 -13.832 -3.773 1.00 0.00 H new ATOM 0 HG SER A 61 6.894 -14.020 -5.709 1.00 0.00 H new ATOM 898 N GLU A 62 8.296 -11.717 -1.372 1.00 0.00 N ATOM 899 CA GLU A 62 8.819 -10.592 -0.587 1.00 0.00 C ATOM 900 C GLU A 62 9.296 -9.382 -1.416 1.00 0.00 C ATOM 901 O GLU A 62 9.706 -8.361 -0.859 1.00 0.00 O ATOM 902 CB GLU A 62 9.917 -11.052 0.387 1.00 0.00 C ATOM 903 CG GLU A 62 9.524 -12.296 1.206 1.00 0.00 C ATOM 904 CD GLU A 62 10.291 -12.468 2.523 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.331 -11.806 2.725 1.00 0.00 O ATOM 906 OE2 GLU A 62 9.807 -13.246 3.376 1.00 0.00 O ATOM 0 H GLU A 62 8.913 -12.529 -1.385 1.00 0.00 H new ATOM 0 HA GLU A 62 7.960 -10.230 -0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.825 -11.268 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.152 -10.236 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.458 -12.246 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.681 -13.183 0.592 1.00 0.00 H new ATOM 913 N GLY A 63 9.237 -9.449 -2.741 1.00 0.00 N ATOM 914 CA GLY A 63 9.650 -8.410 -3.671 1.00 0.00 C ATOM 915 C GLY A 63 8.583 -8.165 -4.735 1.00 0.00 C ATOM 916 O GLY A 63 8.909 -7.615 -5.791 1.00 0.00 O ATOM 0 H GLY A 63 8.880 -10.276 -3.219 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.842 -7.486 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.586 -8.698 -4.150 1.00 0.00 H new ATOM 920 N ALA A 64 7.336 -8.597 -4.495 1.00 0.00 N ATOM 921 CA ALA A 64 6.231 -8.339 -5.409 1.00 0.00 C ATOM 922 C ALA A 64 6.025 -6.822 -5.456 1.00 0.00 C ATOM 923 O ALA A 64 6.194 -6.160 -4.426 1.00 0.00 O ATOM 924 CB ALA A 64 4.991 -9.100 -4.927 1.00 0.00 C ATOM 0 H ALA A 64 7.074 -9.131 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 64 6.436 -8.691 -6.420 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.161 -8.911 -5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.206 -10.168 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.724 -8.763 -3.926 1.00 0.00 H new ATOM 930 N GLU A 65 5.729 -6.253 -6.628 1.00 0.00 N ATOM 931 CA GLU A 65 5.861 -4.817 -6.850 1.00 0.00 C ATOM 932 C GLU A 65 4.516 -4.103 -6.736 1.00 0.00 C ATOM 933 O GLU A 65 3.989 -3.488 -7.663 1.00 0.00 O ATOM 934 CB GLU A 65 6.617 -4.529 -8.146 1.00 0.00 C ATOM 935 CG GLU A 65 5.978 -5.074 -9.437 1.00 0.00 C ATOM 936 CD GLU A 65 6.477 -4.324 -10.678 1.00 0.00 C ATOM 937 OE1 GLU A 65 6.682 -3.095 -10.647 1.00 0.00 O ATOM 938 OE2 GLU A 65 6.744 -4.995 -11.706 1.00 0.00 O ATOM 0 H GLU A 65 5.395 -6.772 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 65 6.473 -4.396 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.727 -3.449 -8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.621 -4.945 -8.058 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.207 -6.135 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.893 -4.987 -9.371 1.00 0.00 H new ATOM 945 N VAL A 66 3.991 -4.181 -5.527 1.00 0.00 N ATOM 946 CA VAL A 66 2.658 -3.759 -5.159 1.00 0.00 C ATOM 947 C VAL A 66 2.496 -2.230 -5.230 1.00 0.00 C ATOM 948 O VAL A 66 3.476 -1.481 -5.206 1.00 0.00 O ATOM 949 CB VAL A 66 2.345 -4.335 -3.765 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.227 -5.861 -3.817 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.431 -4.005 -2.739 1.00 0.00 C ATOM 0 H VAL A 66 4.512 -4.560 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 66 1.932 -4.147 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 66 1.403 -3.877 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.006 -6.243 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.424 -6.141 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.167 -6.287 -4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.162 -4.434 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.382 -4.422 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.524 -2.923 -2.642 1.00 0.00 H new ATOM 961 N SER A 67 1.254 -1.751 -5.271 1.00 0.00 N ATOM 962 CA SER A 67 0.911 -0.339 -5.204 1.00 0.00 C ATOM 963 C SER A 67 0.186 -0.043 -3.886 1.00 0.00 C ATOM 964 O SER A 67 -0.214 -0.964 -3.168 1.00 0.00 O ATOM 965 CB SER A 67 0.055 0.071 -6.409 1.00 0.00 C ATOM 966 OG SER A 67 0.157 -0.757 -7.559 1.00 0.00 O ATOM 0 H SER A 67 0.437 -2.356 -5.354 1.00 0.00 H new ATOM 0 HA SER A 67 1.828 0.249 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.989 0.096 -6.096 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.327 1.088 -6.693 1.00 0.00 H new ATOM 0 HG SER A 67 -0.427 -0.410 -8.265 1.00 0.00 H new ATOM 972 N VAL A 68 -0.005 1.232 -3.559 1.00 0.00 N ATOM 973 CA VAL A 68 -0.867 1.710 -2.485 1.00 0.00 C ATOM 974 C VAL A 68 -1.728 2.838 -2.993 1.00 0.00 C ATOM 975 O VAL A 68 -1.188 3.846 -3.447 1.00 0.00 O ATOM 976 CB VAL A 68 -0.109 2.131 -1.210 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.085 1.004 -0.174 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.322 2.618 -1.502 1.00 0.00 C ATOM 0 H VAL A 68 0.457 1.992 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.489 0.867 -2.185 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.661 2.975 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.457 1.335 0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.106 0.742 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.411 0.131 -0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.808 2.901 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.889 1.818 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.284 3.481 -2.167 1.00 0.00 H new ATOM 988 N SER A 69 -3.047 2.692 -2.868 1.00 0.00 N ATOM 989 CA SER A 69 -3.950 3.814 -2.959 1.00 0.00 C ATOM 990 C SER A 69 -4.773 3.946 -1.681 1.00 0.00 C ATOM 991 O SER A 69 -5.176 2.948 -1.075 1.00 0.00 O ATOM 992 CB SER A 69 -4.813 3.714 -4.231 1.00 0.00 C ATOM 993 OG SER A 69 -5.391 2.441 -4.446 1.00 0.00 O ATOM 0 H SER A 69 -3.506 1.796 -2.702 1.00 0.00 H new ATOM 0 HA SER A 69 -3.373 4.734 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.609 4.456 -4.175 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.198 3.971 -5.094 1.00 0.00 H new ATOM 0 HG SER A 69 -5.923 2.458 -5.269 1.00 0.00 H new ATOM 999 N VAL A 70 -4.997 5.194 -1.280 1.00 0.00 N ATOM 1000 CA VAL A 70 -6.008 5.637 -0.340 1.00 0.00 C ATOM 1001 C VAL A 70 -6.360 7.077 -0.732 1.00 0.00 C ATOM 1002 O VAL A 70 -5.506 7.822 -1.232 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.447 5.482 1.088 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -4.116 6.223 1.249 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -6.386 5.965 2.191 1.00 0.00 C ATOM 0 H VAL A 70 -4.436 5.971 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.925 5.049 -0.364 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.316 4.406 1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.748 6.093 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.388 5.819 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.264 7.284 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.912 5.819 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.601 7.024 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.316 5.397 2.152 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.620 7.460 -0.535 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.050 8.852 -0.527 1.00 0.00 C ATOM 1017 C TRP A 71 -7.883 9.362 0.902 1.00 0.00 C ATOM 1018 O TRP A 71 -8.182 8.631 1.850 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.531 8.945 -0.916 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.866 8.628 -2.343 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.017 7.378 -2.833 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.008 9.522 -3.501 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.171 7.435 -4.201 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.088 8.723 -4.683 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -9.944 10.918 -3.698 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -9.974 9.271 -5.976 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.009 11.491 -4.985 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -9.983 10.670 -6.127 1.00 0.00 C ATOM 0 H TRP A 71 -8.381 6.800 -0.374 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.464 9.438 -1.235 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.096 8.269 -0.274 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.878 9.955 -0.700 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.017 6.473 -2.243 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.328 6.617 -4.790 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.842 11.565 -2.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.881 8.627 -6.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.079 12.563 -5.094 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.970 11.110 -7.113 1.00 0.00 H new ATOM 1039 N THR A 72 -7.478 10.613 1.064 1.00 0.00 N ATOM 1040 CA THR A 72 -7.513 11.301 2.344 1.00 0.00 C ATOM 1041 C THR A 72 -8.029 12.729 2.086 1.00 0.00 C ATOM 1042 O THR A 72 -8.289 13.064 0.925 1.00 0.00 O ATOM 1043 CB THR A 72 -6.141 11.159 3.035 1.00 0.00 C ATOM 1044 OG1 THR A 72 -6.196 11.689 4.334 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.966 11.781 2.270 1.00 0.00 C ATOM 0 H THR A 72 -7.112 11.184 0.302 1.00 0.00 H new ATOM 0 HA THR A 72 -8.207 10.867 3.064 1.00 0.00 H new ATOM 0 HB THR A 72 -5.942 10.088 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.321 11.592 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.045 11.631 2.833 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.875 11.306 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.142 12.849 2.139 1.00 0.00 H new ATOM 1053 N GLY A 73 -8.271 13.520 3.135 1.00 0.00 N ATOM 1054 CA GLY A 73 -8.629 14.937 3.098 1.00 0.00 C ATOM 1055 C GLY A 73 -9.678 15.252 2.033 1.00 0.00 C ATOM 1056 O GLY A 73 -10.876 15.018 2.237 1.00 0.00 O ATOM 0 H GLY A 73 -8.218 13.165 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.007 15.238 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.734 15.529 2.907 1.00 0.00 H new ATOM 1060 N GLY A 74 -9.200 15.741 0.891 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.960 16.002 -0.317 1.00 0.00 C ATOM 1062 C GLY A 74 -9.185 15.604 -1.578 1.00 0.00 C ATOM 1063 O GLY A 74 -9.475 16.160 -2.643 1.00 0.00 O ATOM 0 H GLY A 74 -8.214 15.978 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.900 15.452 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.212 17.061 -0.365 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.193 14.702 -1.501 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.432 14.260 -2.667 1.00 0.00 C ATOM 1069 C ALA A 75 -6.978 12.799 -2.598 1.00 0.00 C ATOM 1070 O ALA A 75 -7.175 12.093 -1.604 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.241 15.205 -2.890 1.00 0.00 C ATOM 0 H ALA A 75 -7.901 14.263 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.106 14.305 -3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.673 14.875 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.607 16.218 -3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.597 15.193 -2.010 1.00 0.00 H new ATOM 1077 N LEU A 76 -6.375 12.332 -3.696 1.00 0.00 N ATOM 1078 CA LEU A 76 -5.988 10.947 -3.914 1.00 0.00 C ATOM 1079 C LEU A 76 -4.482 10.821 -4.019 1.00 0.00 C ATOM 1080 O LEU A 76 -3.847 11.408 -4.896 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.663 10.414 -5.181 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.570 8.900 -5.435 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -5.372 8.531 -6.270 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.758 8.072 -4.180 1.00 0.00 C ATOM 0 H LEU A 76 -6.137 12.936 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.316 10.352 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.717 10.688 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.230 10.929 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.427 8.629 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.352 7.452 -6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.434 9.031 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.462 8.843 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.681 7.013 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.988 8.332 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.741 8.274 -3.754 1.00 0.00 H new ATOM 1096 N CYS A 77 -3.929 9.991 -3.145 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.502 9.880 -2.884 1.00 0.00 C ATOM 1098 C CYS A 77 -2.030 8.466 -3.164 1.00 0.00 C ATOM 1099 O CYS A 77 -1.923 7.634 -2.254 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.231 10.274 -1.435 1.00 0.00 C ATOM 1101 SG CYS A 77 -1.703 12.008 -1.399 1.00 0.00 S ATOM 0 H CYS A 77 -4.485 9.352 -2.577 1.00 0.00 H new ATOM 0 HA CYS A 77 -1.950 10.551 -3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.129 10.139 -0.832 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.460 9.634 -1.006 1.00 0.00 H new ATOM 0 HG CYS A 77 -0.570 12.104 -0.769 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.791 8.195 -4.447 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.444 6.845 -4.892 1.00 0.00 C ATOM 1109 C ARG A 78 0.065 6.764 -5.062 1.00 0.00 C ATOM 1110 O ARG A 78 0.626 7.632 -5.734 1.00 0.00 O ATOM 1111 CB ARG A 78 -2.237 6.474 -6.160 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.988 5.023 -6.627 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.847 4.792 -7.630 1.00 0.00 C ATOM 1114 NE ARG A 78 -1.080 5.482 -8.909 1.00 0.00 N ATOM 1115 CZ ARG A 78 -0.241 5.504 -9.948 1.00 0.00 C ATOM 1116 NH1 ARG A 78 0.840 4.742 -9.967 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -0.504 6.288 -10.990 1.00 0.00 N ATOM 0 H ARG A 78 -1.831 8.889 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.728 6.102 -4.147 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.301 6.610 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.967 7.159 -6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.790 4.414 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.910 4.649 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.091 5.141 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.736 3.723 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.960 5.988 -9.011 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.043 4.125 -9.180 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.470 4.771 -10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.343 6.868 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.133 6.309 -11.786 1.00 0.00 H new ATOM 1131 N CYS A 79 0.721 5.769 -4.461 1.00 0.00 N ATOM 1132 CA CYS A 79 2.150 5.531 -4.618 1.00 0.00 C ATOM 1133 C CYS A 79 2.398 4.074 -5.014 1.00 0.00 C ATOM 1134 O CYS A 79 1.489 3.240 -5.003 1.00 0.00 O ATOM 1135 CB CYS A 79 2.853 5.961 -3.319 1.00 0.00 C ATOM 1136 SG CYS A 79 4.661 6.133 -3.455 1.00 0.00 S ATOM 0 H CYS A 79 0.264 5.098 -3.843 1.00 0.00 H new ATOM 0 HA CYS A 79 2.572 6.126 -5.428 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.434 6.913 -2.993 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.628 5.231 -2.541 1.00 0.00 H new ATOM 0 HG CYS A 79 5.203 4.955 -3.552 1.00 0.00 H new ATOM 1142 N ASP A 80 3.652 3.778 -5.338 1.00 0.00 N ATOM 1143 CA ASP A 80 4.165 2.455 -5.663 1.00 0.00 C ATOM 1144 C ASP A 80 5.061 1.984 -4.522 1.00 0.00 C ATOM 1145 O ASP A 80 5.575 2.798 -3.747 1.00 0.00 O ATOM 1146 CB ASP A 80 4.973 2.528 -6.966 1.00 0.00 C ATOM 1147 CG ASP A 80 4.059 2.484 -8.181 1.00 0.00 C ATOM 1148 OD1 ASP A 80 3.461 3.527 -8.541 1.00 0.00 O ATOM 1149 OD2 ASP A 80 3.910 1.401 -8.788 1.00 0.00 O ATOM 0 H ASP A 80 4.376 4.495 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 80 3.341 1.754 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.560 3.446 -6.982 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.678 1.698 -7.007 1.00 0.00 H new ATOM 1154 N GLY A 81 5.289 0.678 -4.438 1.00 0.00 N ATOM 1155 CA GLY A 81 6.129 0.070 -3.425 1.00 0.00 C ATOM 1156 C GLY A 81 6.479 -1.375 -3.792 1.00 0.00 C ATOM 1157 O GLY A 81 6.288 -1.775 -4.947 1.00 0.00 O ATOM 0 H GLY A 81 4.885 0.003 -5.087 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.044 0.651 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.616 0.090 -2.463 1.00 0.00 H new ATOM 1161 N ARG A 82 7.064 -2.133 -2.853 1.00 0.00 N ATOM 1162 CA ARG A 82 7.361 -3.568 -2.945 1.00 0.00 C ATOM 1163 C ARG A 82 7.163 -4.209 -1.571 1.00 0.00 C ATOM 1164 O ARG A 82 7.209 -3.506 -0.567 1.00 0.00 O ATOM 1165 CB ARG A 82 8.779 -3.868 -3.456 1.00 0.00 C ATOM 1166 CG ARG A 82 9.024 -3.263 -4.841 1.00 0.00 C ATOM 1167 CD ARG A 82 9.980 -4.074 -5.694 1.00 0.00 C ATOM 1168 NE ARG A 82 11.395 -3.837 -5.383 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.402 -4.524 -5.933 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.163 -5.641 -6.617 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.645 -4.077 -5.818 1.00 0.00 N ATOM 0 H ARG A 82 7.358 -1.738 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 82 6.673 -3.991 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.511 -3.472 -2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.929 -4.947 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.071 -3.172 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.420 -2.254 -4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.761 -5.134 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.804 -3.840 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 82 11.623 -3.106 -4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.206 -5.978 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.936 -6.159 -7.034 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.831 -3.212 -5.311 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.415 -4.599 -6.236 1.00 0.00 H new ATOM 1185 N VAL A 83 6.997 -5.528 -1.504 1.00 0.00 N ATOM 1186 CA VAL A 83 6.574 -6.249 -0.296 1.00 0.00 C ATOM 1187 C VAL A 83 7.549 -6.140 0.899 1.00 0.00 C ATOM 1188 O VAL A 83 7.105 -6.063 2.038 1.00 0.00 O ATOM 1189 CB VAL A 83 6.144 -7.662 -0.752 1.00 0.00 C ATOM 1190 CG1 VAL A 83 5.912 -8.690 0.345 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.799 -7.558 -1.490 1.00 0.00 C ATOM 0 H VAL A 83 7.155 -6.142 -2.303 1.00 0.00 H new ATOM 0 HA VAL A 83 5.710 -5.773 0.169 1.00 0.00 H new ATOM 0 HB VAL A 83 6.985 -8.006 -1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.615 -9.639 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.831 -8.829 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.123 -8.340 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.486 -8.550 -1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.047 -7.142 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.910 -6.908 -2.358 1.00 0.00 H new ATOM 1201 N GLU A 84 8.856 -6.028 0.698 1.00 0.00 N ATOM 1202 CA GLU A 84 9.908 -5.961 1.722 1.00 0.00 C ATOM 1203 C GLU A 84 10.154 -7.277 2.489 1.00 0.00 C ATOM 1204 O GLU A 84 11.247 -7.834 2.380 1.00 0.00 O ATOM 1205 CB GLU A 84 9.693 -4.769 2.665 1.00 0.00 C ATOM 1206 CG GLU A 84 11.009 -4.178 3.199 1.00 0.00 C ATOM 1207 CD GLU A 84 11.645 -4.908 4.385 1.00 0.00 C ATOM 1208 OE1 GLU A 84 10.950 -5.390 5.305 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.895 -4.892 4.483 1.00 0.00 O ATOM 0 H GLU A 84 9.242 -5.978 -0.245 1.00 0.00 H new ATOM 0 HA GLU A 84 10.834 -5.799 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.140 -3.992 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.076 -5.085 3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.731 -4.156 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.827 -3.144 3.491 1.00 0.00 H new ATOM 1216 N THR A 85 9.191 -7.751 3.284 1.00 0.00 N ATOM 1217 CA THR A 85 9.326 -8.879 4.224 1.00 0.00 C ATOM 1218 C THR A 85 7.944 -9.485 4.473 1.00 0.00 C ATOM 1219 O THR A 85 7.156 -8.915 5.239 1.00 0.00 O ATOM 1220 CB THR A 85 9.933 -8.408 5.566 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.259 -7.954 5.411 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.942 -9.509 6.634 1.00 0.00 C ATOM 0 H THR A 85 8.255 -7.346 3.295 1.00 0.00 H new ATOM 0 HA THR A 85 9.993 -9.624 3.789 1.00 0.00 H new ATOM 0 HB THR A 85 9.288 -7.592 5.894 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.332 -7.036 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.379 -9.120 7.554 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.921 -9.836 6.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.533 -10.354 6.280 1.00 0.00 H new ATOM 1230 N LEU A 86 7.594 -10.562 3.768 1.00 0.00 N ATOM 1231 CA LEU A 86 6.291 -11.201 3.911 1.00 0.00 C ATOM 1232 C LEU A 86 6.304 -12.070 5.170 1.00 0.00 C ATOM 1233 O LEU A 86 7.354 -12.569 5.578 1.00 0.00 O ATOM 1234 CB LEU A 86 5.979 -12.034 2.658 1.00 0.00 C ATOM 1235 CG LEU A 86 4.477 -12.329 2.493 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.842 -11.280 1.577 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.223 -13.714 1.903 1.00 0.00 C ATOM 0 H LEU A 86 8.205 -11.012 3.086 1.00 0.00 H new ATOM 0 HA LEU A 86 5.509 -10.449 4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.339 -11.504 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.526 -12.976 2.709 1.00 0.00 H new ATOM 0 HG LEU A 86 4.031 -12.295 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.779 -11.492 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.969 -10.290 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.325 -11.310 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.150 -13.877 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.691 -13.783 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.647 -14.473 2.561 1.00 0.00 H new ATOM 1249 N ARG A 87 5.136 -12.279 5.775 1.00 0.00 N ATOM 1250 CA ARG A 87 4.995 -13.044 7.006 1.00 0.00 C ATOM 1251 C ARG A 87 4.000 -14.171 6.784 1.00 0.00 C ATOM 1252 O ARG A 87 4.385 -15.332 6.884 1.00 0.00 O ATOM 1253 CB ARG A 87 4.663 -12.057 8.133 1.00 0.00 C ATOM 1254 CG ARG A 87 4.250 -12.691 9.463 1.00 0.00 C ATOM 1255 CD ARG A 87 4.742 -11.860 10.667 1.00 0.00 C ATOM 1256 NE ARG A 87 5.588 -12.658 11.571 1.00 0.00 N ATOM 1257 CZ ARG A 87 6.724 -13.280 11.224 1.00 0.00 C ATOM 1258 NH1 ARG A 87 7.311 -13.043 10.055 1.00 0.00 N ATOM 1259 NH2 ARG A 87 7.293 -14.159 12.034 1.00 0.00 N ATOM 0 H ARG A 87 4.252 -11.916 5.417 1.00 0.00 H new ATOM 0 HA ARG A 87 5.912 -13.549 7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.534 -11.425 8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.857 -11.405 7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.164 -12.781 9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.656 -13.700 9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.305 -10.998 10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.884 -11.474 11.218 1.00 0.00 H new ATOM 0 HE ARG A 87 5.285 -12.745 12.541 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.897 -12.377 9.402 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.175 -13.527 9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.867 -14.371 12.936 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.157 -14.624 11.756 1.00 0.00 H new ATOM 1273 N ASP A 88 2.769 -13.854 6.407 1.00 0.00 N ATOM 1274 CA ASP A 88 1.719 -14.828 6.126 1.00 0.00 C ATOM 1275 C ASP A 88 1.155 -14.522 4.734 1.00 0.00 C ATOM 1276 O ASP A 88 1.621 -13.610 4.050 1.00 0.00 O ATOM 1277 CB ASP A 88 0.598 -14.741 7.178 1.00 0.00 C ATOM 1278 CG ASP A 88 1.029 -14.872 8.642 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.466 -15.948 9.101 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.869 -13.872 9.379 1.00 0.00 O ATOM 0 H ASP A 88 2.464 -12.889 6.285 1.00 0.00 H new ATOM 0 HA ASP A 88 2.130 -15.837 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.088 -13.786 7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.132 -15.522 6.965 1.00 0.00 H new ATOM 1285 N ASP A 89 0.088 -15.212 4.324 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.714 -14.831 3.147 1.00 0.00 C ATOM 1287 C ASP A 89 -1.498 -13.535 3.407 1.00 0.00 C ATOM 1288 O ASP A 89 -2.149 -13.022 2.498 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.740 -15.916 2.761 1.00 0.00 C ATOM 1290 CG ASP A 89 -1.164 -17.278 2.377 1.00 0.00 C ATOM 1291 OD1 ASP A 89 -0.595 -17.967 3.256 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -1.448 -17.773 1.267 1.00 0.00 O ATOM 0 H ASP A 89 -0.249 -16.052 4.795 1.00 0.00 H new ATOM 0 HA ASP A 89 0.001 -14.697 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.423 -16.056 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.333 -15.546 1.925 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.507 -13.028 4.650 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.383 -11.948 5.083 1.00 0.00 C ATOM 1299 C ARG A 90 -1.638 -10.859 5.835 1.00 0.00 C ATOM 1300 O ARG A 90 -1.859 -9.689 5.533 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.589 -12.496 5.869 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.276 -13.418 7.060 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.578 -13.906 7.717 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.328 -14.328 9.106 1.00 0.00 N ATOM 1305 CZ ARG A 90 -4.783 -13.708 10.202 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -5.864 -12.932 10.192 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -4.135 -13.892 11.341 1.00 0.00 N ATOM 0 H ARG A 90 -0.892 -13.369 5.389 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.774 -11.467 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.168 -11.649 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.228 -13.042 5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.689 -14.272 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.670 -12.884 7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.321 -13.109 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.991 -14.738 7.146 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.760 -15.164 9.245 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.382 -12.790 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.175 -12.479 11.052 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.312 -14.493 11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.459 -13.432 12.192 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.747 -11.192 6.772 1.00 0.00 N ATOM 1322 CA GLN A 91 0.092 -10.196 7.422 1.00 0.00 C ATOM 1323 C GLN A 91 1.383 -10.090 6.633 1.00 0.00 C ATOM 1324 O GLN A 91 1.977 -11.117 6.306 1.00 0.00 O ATOM 1325 CB GLN A 91 0.430 -10.579 8.865 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.786 -10.934 9.729 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.362 -11.113 11.182 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.683 -10.311 12.056 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.413 -12.145 11.467 1.00 0.00 N ATOM 0 H GLN A 91 -0.592 -12.147 7.094 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.450 -9.251 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.112 -11.430 8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.963 -9.751 9.332 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.536 -10.147 9.655 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.248 -11.850 9.361 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.674 -12.805 10.734 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.750 -12.282 12.420 1.00 0.00 H new ATOM 1338 N PHE A 92 1.829 -8.874 6.339 1.00 0.00 N ATOM 1339 CA PHE A 92 3.090 -8.633 5.661 1.00 0.00 C ATOM 1340 C PHE A 92 3.453 -7.148 5.757 1.00 0.00 C ATOM 1341 O PHE A 92 2.619 -6.317 6.134 1.00 0.00 O ATOM 1342 CB PHE A 92 2.967 -9.153 4.220 1.00 0.00 C ATOM 1343 CG PHE A 92 1.727 -8.794 3.433 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.627 -7.527 2.839 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.732 -9.762 3.203 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.565 -7.234 1.973 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.350 -9.463 2.356 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.419 -8.208 1.722 1.00 0.00 C ATOM 0 H PHE A 92 1.318 -8.022 6.568 1.00 0.00 H new ATOM 0 HA PHE A 92 3.913 -9.171 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.831 -8.793 3.662 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.038 -10.240 4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.372 -6.774 3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.799 -10.731 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.502 -6.265 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.127 -10.195 2.192 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.229 -7.992 1.041 1.00 0.00 H new ATOM 1358 N ALA A 93 4.714 -6.828 5.476 1.00 0.00 N ATOM 1359 CA ALA A 93 5.231 -5.470 5.357 1.00 0.00 C ATOM 1360 C ALA A 93 4.910 -4.884 3.977 1.00 0.00 C ATOM 1361 O ALA A 93 4.459 -5.597 3.087 1.00 0.00 O ATOM 1362 CB ALA A 93 6.751 -5.477 5.546 1.00 0.00 C ATOM 0 H ALA A 93 5.431 -7.537 5.319 1.00 0.00 H new ATOM 0 HA ALA A 93 4.758 -4.858 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.133 -4.460 5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.993 -5.870 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.210 -6.106 4.783 1.00 0.00 H new ATOM 1368 N ILE A 94 5.238 -3.612 3.757 1.00 0.00 N ATOM 1369 CA ILE A 94 5.464 -3.036 2.436 1.00 0.00 C ATOM 1370 C ILE A 94 6.474 -1.893 2.552 1.00 0.00 C ATOM 1371 O ILE A 94 6.457 -1.169 3.548 1.00 0.00 O ATOM 1372 CB ILE A 94 4.156 -2.510 1.807 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.215 -1.798 2.797 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.422 -3.602 1.017 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.148 -0.951 2.091 1.00 0.00 C ATOM 0 H ILE A 94 5.357 -2.938 4.513 1.00 0.00 H new ATOM 0 HA ILE A 94 5.851 -3.821 1.786 1.00 0.00 H new ATOM 0 HB ILE A 94 4.473 -1.738 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.726 -2.541 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.803 -1.159 3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.507 -3.190 0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.065 -3.965 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.172 -4.428 1.683 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.512 -0.472 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.633 -0.188 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.539 -1.591 1.452 1.00 0.00 H new ATOM 1387 N ARG A 95 7.285 -1.674 1.511 1.00 0.00 N ATOM 1388 CA ARG A 95 8.279 -0.609 1.333 1.00 0.00 C ATOM 1389 C ARG A 95 7.810 0.270 0.188 1.00 0.00 C ATOM 1390 O ARG A 95 7.748 -0.218 -0.937 1.00 0.00 O ATOM 1391 CB ARG A 95 9.657 -1.204 0.951 1.00 0.00 C ATOM 1392 CG ARG A 95 10.850 -0.770 1.799 1.00 0.00 C ATOM 1393 CD ARG A 95 11.233 0.702 1.651 1.00 0.00 C ATOM 1394 NE ARG A 95 12.319 0.903 0.683 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.626 0.790 0.954 1.00 0.00 C ATOM 1396 NH1 ARG A 95 14.062 0.363 2.135 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.524 1.105 0.033 1.00 0.00 N ATOM 0 H ARG A 95 7.260 -2.292 0.700 1.00 0.00 H new ATOM 0 HA ARG A 95 8.381 -0.048 2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.583 -2.290 0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.864 -0.943 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.626 -0.970 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.710 -1.384 1.534 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.359 1.272 1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.537 1.095 2.621 1.00 0.00 H new ATOM 0 HE ARG A 95 12.057 1.148 -0.272 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.395 0.111 2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.064 0.287 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.221 1.434 -0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 95 15.519 1.019 0.240 1.00 0.00 H new ATOM 1411 N LEU A 96 7.478 1.532 0.427 1.00 0.00 N ATOM 1412 CA LEU A 96 7.158 2.450 -0.660 1.00 0.00 C ATOM 1413 C LEU A 96 8.449 2.862 -1.340 1.00 0.00 C ATOM 1414 O LEU A 96 9.490 2.983 -0.688 1.00 0.00 O ATOM 1415 CB LEU A 96 6.371 3.669 -0.160 1.00 0.00 C ATOM 1416 CG LEU A 96 5.096 3.276 0.607 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.236 4.490 0.916 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.293 2.171 -0.078 1.00 0.00 C ATOM 0 H LEU A 96 7.423 1.943 1.359 1.00 0.00 H new ATOM 0 HA LEU A 96 6.513 1.946 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.010 4.269 0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.101 4.296 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 96 5.431 2.854 1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.344 4.176 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.803 5.192 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.943 4.975 -0.015 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.408 1.943 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.989 2.504 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.909 1.276 -0.169 1.00 0.00 H new ATOM 1430 N VAL A 97 8.382 3.095 -2.646 1.00 0.00 N ATOM 1431 CA VAL A 97 9.503 3.563 -3.430 1.00 0.00 C ATOM 1432 C VAL A 97 9.047 4.671 -4.370 1.00 0.00 C ATOM 1433 O VAL A 97 7.914 4.695 -4.863 1.00 0.00 O ATOM 1434 CB VAL A 97 10.184 2.397 -4.169 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.916 1.478 -3.185 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.285 1.547 -5.078 1.00 0.00 C ATOM 0 H VAL A 97 7.531 2.960 -3.192 1.00 0.00 H new ATOM 0 HA VAL A 97 10.258 3.985 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 97 10.881 2.898 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.389 0.662 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.678 2.048 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.203 1.070 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.878 0.759 -5.542 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.487 1.099 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.850 2.178 -5.853 1.00 0.00 H new ATOM 1446 N GLY A 98 9.949 5.613 -4.617 1.00 0.00 N ATOM 1447 CA GLY A 98 9.659 6.861 -5.236 1.00 0.00 C ATOM 1448 C GLY A 98 8.910 7.695 -4.214 1.00 0.00 C ATOM 1449 O GLY A 98 9.224 7.683 -3.022 1.00 0.00 O ATOM 0 H GLY A 98 10.934 5.506 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.577 7.361 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.057 6.717 -6.133 1.00 0.00 H new ATOM 1453 N ARG A 99 7.935 8.435 -4.703 1.00 0.00 N ATOM 1454 CA ARG A 99 7.287 9.535 -3.989 1.00 0.00 C ATOM 1455 C ARG A 99 5.793 9.585 -4.308 1.00 0.00 C ATOM 1456 O ARG A 99 5.394 9.442 -5.465 1.00 0.00 O ATOM 1457 CB ARG A 99 8.015 10.835 -4.384 1.00 0.00 C ATOM 1458 CG ARG A 99 7.913 11.982 -3.369 1.00 0.00 C ATOM 1459 CD ARG A 99 6.651 12.836 -3.498 1.00 0.00 C ATOM 1460 NE ARG A 99 6.993 14.212 -3.868 1.00 0.00 N ATOM 1461 CZ ARG A 99 7.045 14.732 -5.096 1.00 0.00 C ATOM 1462 NH1 ARG A 99 6.716 14.037 -6.182 1.00 0.00 N ATOM 1463 NH2 ARG A 99 7.456 15.976 -5.247 1.00 0.00 N ATOM 0 H ARG A 99 7.554 8.288 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 99 7.357 9.395 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 99 9.069 10.607 -4.544 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.615 11.180 -5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.952 11.564 -2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.785 12.627 -3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.990 12.405 -4.250 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.105 12.833 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 99 7.217 14.844 -3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.410 13.068 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.770 14.473 -7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.728 16.526 -4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.502 16.388 -6.179 1.00 0.00 H new ATOM 1477 N VAL A 100 4.971 9.826 -3.296 1.00 0.00 N ATOM 1478 CA VAL A 100 3.537 10.091 -3.397 1.00 0.00 C ATOM 1479 C VAL A 100 3.255 11.563 -3.665 1.00 0.00 C ATOM 1480 O VAL A 100 3.743 12.437 -2.952 1.00 0.00 O ATOM 1481 CB VAL A 100 2.786 9.563 -2.160 1.00 0.00 C ATOM 1482 CG1 VAL A 100 3.509 9.832 -0.839 1.00 0.00 C ATOM 1483 CG2 VAL A 100 1.244 9.634 -2.309 1.00 0.00 C ATOM 0 H VAL A 100 5.301 9.843 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 100 3.155 9.543 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 100 2.852 8.477 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.920 9.432 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.486 9.350 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.636 10.906 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.773 9.248 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.941 10.670 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.933 9.035 -3.165 1.00 0.00 H new ATOM 1493 N ARG A 101 2.431 11.827 -4.672 1.00 0.00 N ATOM 1494 CA ARG A 101 1.872 13.124 -4.995 1.00 0.00 C ATOM 1495 C ARG A 101 0.365 12.927 -5.147 1.00 0.00 C ATOM 1496 O ARG A 101 -0.094 11.811 -5.398 1.00 0.00 O ATOM 1497 CB ARG A 101 2.637 13.618 -6.240 1.00 0.00 C ATOM 1498 CG ARG A 101 1.973 14.717 -7.079 1.00 0.00 C ATOM 1499 CD ARG A 101 1.195 14.120 -8.259 1.00 0.00 C ATOM 1500 NE ARG A 101 0.661 15.166 -9.143 1.00 0.00 N ATOM 1501 CZ ARG A 101 0.624 15.155 -10.483 1.00 0.00 C ATOM 1502 NH1 ARG A 101 1.167 14.160 -11.186 1.00 0.00 N ATOM 1503 NH2 ARG A 101 0.053 16.166 -11.123 1.00 0.00 N ATOM 0 H ARG A 101 2.121 11.100 -5.317 1.00 0.00 H new ATOM 0 HA ARG A 101 1.988 13.901 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.611 13.983 -5.915 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.818 12.760 -6.888 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.298 15.299 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.733 15.404 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.849 13.460 -8.829 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.375 13.508 -7.882 1.00 0.00 H new ATOM 0 HE ARG A 101 0.276 15.992 -8.686 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.623 13.385 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.126 14.174 -12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.351 16.940 -10.596 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.018 16.170 -12.142 1.00 0.00 H new