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 Set 1.1: A 38 THR OG1 : rot 70:sc= 0.197 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0.195 USER MOD Set 2.1: A 20 ASN : amide:sc= -0.728 X(o=0.4,f=0.74) USER MOD Set 2.2: A 22 THR OG1 : rot 18:sc= 1.13 USER MOD Single : A 9 TYR OH : rot 53:sc= 1.02 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.109 X(o=0.11,f=0) USER MOD Single : A 17 GLN : amide:sc= 0.648 K(o=0.65,f=-0.025) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -4:sc= 0.592 USER MOD Single : A 34 THR OG1 : 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= 0.0161 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc=-0.00423 X(o=-0.0042,f=-0.28) USER MOD Single : A 59 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 61 SER OG : rot 46:sc= 0.149 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0963 USER MOD Single : A 72 THR OG1 : rot 153:sc= 0.495 USER MOD Single : A 77 CYS SG : rot -159:sc= -0.443 USER MOD Single : A 79 CYS SG : rot 74:sc= 0.543 USER MOD Single : A 85 THR OG1 : rot 7:sc= 0.399 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 8 7.056 12.403 4.316 1.00 0.00 N ATOM 77 CA GLU A 8 5.651 12.770 4.088 1.00 0.00 C ATOM 78 C GLU A 8 4.713 11.556 3.976 1.00 0.00 C ATOM 79 O GLU A 8 3.505 11.713 3.826 1.00 0.00 O ATOM 80 CB GLU A 8 5.532 13.706 2.872 1.00 0.00 C ATOM 81 CG GLU A 8 6.311 15.025 3.043 1.00 0.00 C ATOM 82 CD GLU A 8 7.423 15.182 2.002 1.00 0.00 C ATOM 83 OE1 GLU A 8 7.104 15.575 0.854 1.00 0.00 O ATOM 84 OE2 GLU A 8 8.613 14.963 2.309 1.00 0.00 O ATOM 0 HA GLU A 8 5.315 13.309 4.974 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.898 13.188 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.480 13.933 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.621 15.865 2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.744 15.062 4.043 1.00 0.00 H new ATOM 91 N TYR A 9 5.220 10.332 4.094 1.00 0.00 N ATOM 92 CA TYR A 9 4.435 9.125 3.962 1.00 0.00 C ATOM 93 C TYR A 9 3.408 9.057 5.092 1.00 0.00 C ATOM 94 O TYR A 9 2.266 8.674 4.858 1.00 0.00 O ATOM 95 CB TYR A 9 5.368 7.899 3.998 1.00 0.00 C ATOM 96 CG TYR A 9 6.428 7.791 2.911 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.106 8.057 1.567 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.711 7.297 3.226 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.020 7.777 0.536 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.639 7.037 2.206 1.00 0.00 C ATOM 101 CZ TYR A 9 8.284 7.241 0.857 1.00 0.00 C ATOM 102 OH TYR A 9 9.173 6.918 -0.119 1.00 0.00 O ATOM 0 H TYR A 9 6.206 10.156 4.287 1.00 0.00 H new ATOM 0 HA TYR A 9 3.904 9.131 3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.874 7.889 4.963 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.748 7.003 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.143 8.482 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.980 7.118 4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.756 7.971 -0.493 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.627 6.680 2.455 1.00 0.00 H new ATOM 0 HH TYR A 9 9.299 7.686 -0.714 1.00 0.00 H new ATOM 112 N GLY A 10 3.792 9.458 6.305 1.00 0.00 N ATOM 113 CA GLY A 10 3.009 9.248 7.514 1.00 0.00 C ATOM 114 C GLY A 10 2.050 10.386 7.835 1.00 0.00 C ATOM 115 O GLY A 10 1.358 10.318 8.851 1.00 0.00 O ATOM 0 H GLY A 10 4.672 9.946 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.439 8.325 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.688 9.110 8.355 1.00 0.00 H new ATOM 119 N ARG A 11 2.030 11.447 7.017 1.00 0.00 N ATOM 120 CA ARG A 11 0.935 12.410 7.010 1.00 0.00 C ATOM 121 C ARG A 11 -0.195 11.947 6.098 1.00 0.00 C ATOM 122 O ARG A 11 -1.286 12.504 6.160 1.00 0.00 O ATOM 123 CB ARG A 11 1.433 13.814 6.626 1.00 0.00 C ATOM 124 CG ARG A 11 2.383 13.938 5.437 1.00 0.00 C ATOM 125 CD ARG A 11 2.781 15.394 5.171 1.00 0.00 C ATOM 126 NE ARG A 11 1.653 16.225 4.713 1.00 0.00 N ATOM 127 CZ ARG A 11 1.611 17.565 4.743 1.00 0.00 C ATOM 128 NH1 ARG A 11 2.611 18.277 5.252 1.00 0.00 N ATOM 129 NH2 ARG A 11 0.557 18.210 4.256 1.00 0.00 N ATOM 0 H ARG A 11 2.771 11.656 6.347 1.00 0.00 H new ATOM 0 HA ARG A 11 0.535 12.472 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.560 14.434 6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.930 14.241 7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.279 13.346 5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.908 13.524 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.195 15.824 6.083 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.571 15.418 4.420 1.00 0.00 H new ATOM 0 HE ARG A 11 0.836 15.740 4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.432 17.805 5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.557 19.296 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.223 17.686 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.527 19.229 4.280 1.00 0.00 H new ATOM 143 N TYR A 12 0.060 10.996 5.202 1.00 0.00 N ATOM 144 CA TYR A 12 -0.900 10.527 4.220 1.00 0.00 C ATOM 145 C TYR A 12 -1.424 9.159 4.604 1.00 0.00 C ATOM 146 O TYR A 12 -2.640 8.968 4.660 1.00 0.00 O ATOM 147 CB TYR A 12 -0.221 10.494 2.853 1.00 0.00 C ATOM 148 CG TYR A 12 0.346 11.819 2.382 1.00 0.00 C ATOM 149 CD1 TYR A 12 -0.155 13.056 2.833 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.396 11.797 1.460 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.299 14.252 2.253 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.903 12.985 0.917 1.00 0.00 C ATOM 153 CZ TYR A 12 1.308 14.220 1.265 1.00 0.00 C ATOM 154 OH TYR A 12 1.666 15.371 0.636 1.00 0.00 O ATOM 0 H TYR A 12 0.962 10.523 5.142 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.754 11.203 4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.586 9.762 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.942 10.143 2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.889 13.085 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.823 10.851 1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.124 15.196 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.742 12.958 0.238 1.00 0.00 H new ATOM 0 HH TYR A 12 2.373 15.182 -0.015 1.00 0.00 H new ATOM 164 N PHE A 13 -0.518 8.213 4.838 1.00 0.00 N ATOM 165 CA PHE A 13 -0.819 6.937 5.444 1.00 0.00 C ATOM 166 C PHE A 13 -0.796 7.151 6.954 1.00 0.00 C ATOM 167 O PHE A 13 -0.110 8.041 7.450 1.00 0.00 O ATOM 168 CB PHE A 13 0.231 5.905 4.999 1.00 0.00 C ATOM 169 CG PHE A 13 0.402 5.791 3.490 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.671 5.350 2.697 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.613 6.149 2.865 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.549 5.288 1.301 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.743 6.068 1.467 1.00 0.00 C ATOM 174 CZ PHE A 13 0.653 5.656 0.683 1.00 0.00 C ATOM 0 H PHE A 13 0.468 8.324 4.602 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.795 6.557 5.141 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.191 6.168 5.442 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.047 4.928 5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.598 5.056 3.167 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.446 6.488 3.463 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.384 4.956 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.681 6.323 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.741 5.623 -0.393 1.00 0.00 H new ATOM 184 N GLU A 14 -1.500 6.304 7.693 1.00 0.00 N ATOM 185 CA GLU A 14 -1.540 6.330 9.145 1.00 0.00 C ATOM 186 C GLU A 14 -1.589 4.877 9.592 1.00 0.00 C ATOM 187 O GLU A 14 -2.061 4.010 8.858 1.00 0.00 O ATOM 188 CB GLU A 14 -2.768 7.131 9.580 1.00 0.00 C ATOM 189 CG GLU A 14 -2.963 7.378 11.076 1.00 0.00 C ATOM 190 CD GLU A 14 -4.242 8.188 11.304 1.00 0.00 C ATOM 191 OE1 GLU A 14 -4.318 9.379 10.925 1.00 0.00 O ATOM 192 OE2 GLU A 14 -5.223 7.621 11.833 1.00 0.00 O ATOM 0 H GLU A 14 -2.072 5.563 7.288 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.673 6.812 9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.730 8.100 9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.653 6.616 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.024 6.428 11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.105 7.914 11.481 1.00 0.00 H new ATOM 199 N GLN A 15 -1.101 4.618 10.796 1.00 0.00 N ATOM 200 CA GLN A 15 -0.786 3.272 11.289 1.00 0.00 C ATOM 201 C GLN A 15 -2.003 2.349 11.391 1.00 0.00 C ATOM 202 O GLN A 15 -1.863 1.135 11.458 1.00 0.00 O ATOM 203 CB GLN A 15 -0.102 3.426 12.647 1.00 0.00 C ATOM 204 CG GLN A 15 0.656 2.149 13.009 1.00 0.00 C ATOM 205 CD GLN A 15 1.255 2.214 14.400 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.965 3.155 14.733 1.00 0.00 O ATOM 207 NE2 GLN A 15 0.967 1.229 15.232 1.00 0.00 N ATOM 0 H GLN A 15 -0.906 5.350 11.479 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.130 2.788 10.566 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.587 4.270 12.621 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.846 3.645 13.413 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.020 1.297 12.946 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.450 1.981 12.281 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.373 0.459 14.925 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.339 1.238 16.182 1.00 0.00 H new ATOM 216 N LEU A 16 -3.194 2.923 11.395 1.00 0.00 N ATOM 217 CA LEU A 16 -4.468 2.234 11.519 1.00 0.00 C ATOM 218 C LEU A 16 -5.415 2.665 10.394 1.00 0.00 C ATOM 219 O LEU A 16 -6.613 2.381 10.450 1.00 0.00 O ATOM 220 CB LEU A 16 -5.099 2.574 12.885 1.00 0.00 C ATOM 221 CG LEU A 16 -4.207 2.404 14.128 1.00 0.00 C ATOM 222 CD1 LEU A 16 -4.954 2.909 15.361 1.00 0.00 C ATOM 223 CD2 LEU A 16 -3.808 0.945 14.319 1.00 0.00 C ATOM 0 H LEU A 16 -3.304 3.933 11.307 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.302 1.159 11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.441 3.608 12.852 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.983 1.950 13.015 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.296 2.986 13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.324 2.789 16.242 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.200 3.963 15.231 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.872 2.335 15.491 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.178 0.853 15.204 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.703 0.337 14.446 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.257 0.601 13.444 1.00 0.00 H new ATOM 235 N GLN A 17 -4.936 3.424 9.400 1.00 0.00 N ATOM 236 CA GLN A 17 -5.741 3.719 8.230 1.00 0.00 C ATOM 237 C GLN A 17 -5.821 2.471 7.358 1.00 0.00 C ATOM 238 O GLN A 17 -5.074 1.508 7.527 1.00 0.00 O ATOM 239 CB GLN A 17 -5.140 4.880 7.436 1.00 0.00 C ATOM 240 CG GLN A 17 -5.854 6.213 7.664 1.00 0.00 C ATOM 241 CD GLN A 17 -5.184 7.404 6.967 1.00 0.00 C ATOM 242 OE1 GLN A 17 -5.414 8.555 7.319 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.358 7.192 5.958 1.00 0.00 N ATOM 0 H GLN A 17 -4.003 3.837 9.391 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.741 4.013 8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.090 4.989 7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.172 4.638 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.882 6.129 7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.901 6.411 8.735 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.158 6.239 5.655 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.921 7.981 5.482 1.00 0.00 H new ATOM 252 N LYS A 18 -6.703 2.518 6.362 1.00 0.00 N ATOM 253 CA LYS A 18 -6.752 1.494 5.331 1.00 0.00 C ATOM 254 C LYS A 18 -5.856 1.893 4.170 1.00 0.00 C ATOM 255 O LYS A 18 -5.585 3.084 3.982 1.00 0.00 O ATOM 256 CB LYS A 18 -8.200 1.275 4.879 1.00 0.00 C ATOM 257 CG LYS A 18 -8.924 0.295 5.810 1.00 0.00 C ATOM 258 CD LYS A 18 -9.399 0.808 7.182 1.00 0.00 C ATOM 259 CE LYS A 18 -10.836 1.340 7.165 1.00 0.00 C ATOM 260 NZ LYS A 18 -10.943 2.788 6.898 1.00 0.00 N ATOM 0 H LYS A 18 -7.395 3.259 6.250 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.383 0.550 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.729 2.228 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.212 0.890 3.859 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.795 -0.087 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.260 -0.552 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.327 -0.000 7.910 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.730 1.600 7.518 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.402 0.799 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.303 1.124 8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.944 3.069 6.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.432 3.315 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.528 3.001 5.968 1.00 0.00 H new ATOM 274 N VAL A 19 -5.427 0.912 3.375 1.00 0.00 N ATOM 275 CA VAL A 19 -4.837 1.115 2.056 1.00 0.00 C ATOM 276 C VAL A 19 -5.279 -0.007 1.110 1.00 0.00 C ATOM 277 O VAL A 19 -5.775 -1.049 1.546 1.00 0.00 O ATOM 278 CB VAL A 19 -3.293 1.255 2.101 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.857 2.538 2.798 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.530 0.121 2.796 1.00 0.00 C ATOM 0 H VAL A 19 -5.483 -0.071 3.640 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.206 2.066 1.671 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.038 1.240 1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.769 2.595 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.261 3.398 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.229 2.540 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.461 0.329 2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.855 0.046 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.731 -0.820 2.284 1.00 0.00 H new ATOM 290 N ASN A 20 -5.071 0.221 -0.186 1.00 0.00 N ATOM 291 CA ASN A 20 -5.338 -0.678 -1.312 1.00 0.00 C ATOM 292 C ASN A 20 -4.274 -1.792 -1.437 1.00 0.00 C ATOM 293 O ASN A 20 -3.323 -1.778 -0.647 1.00 0.00 O ATOM 294 CB ASN A 20 -5.356 0.221 -2.556 1.00 0.00 C ATOM 295 CG ASN A 20 -5.975 -0.430 -3.774 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.524 -0.188 -4.887 1.00 0.00 O ATOM 297 ND2 ASN A 20 -7.029 -1.207 -3.621 1.00 0.00 N ATOM 0 H ASN A 20 -4.681 1.109 -0.503 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.283 -1.204 -1.177 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.906 1.133 -2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.334 0.516 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.483 -1.618 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.391 -1.398 -2.687 1.00 0.00 H new ATOM 304 N LEU A 21 -4.377 -2.741 -2.387 1.00 0.00 N ATOM 305 CA LEU A 21 -3.471 -3.902 -2.491 1.00 0.00 C ATOM 306 C LEU A 21 -3.029 -4.259 -3.920 1.00 0.00 C ATOM 307 O LEU A 21 -2.623 -5.395 -4.140 1.00 0.00 O ATOM 308 CB LEU A 21 -4.047 -5.162 -1.797 1.00 0.00 C ATOM 309 CG LEU A 21 -4.100 -5.167 -0.272 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.705 -6.490 0.206 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.694 -5.076 0.339 1.00 0.00 C ATOM 0 H LEU A 21 -5.097 -2.724 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.576 -3.570 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.060 -5.317 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.456 -6.021 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.695 -4.308 0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.745 -6.499 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.713 -6.595 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.088 -7.319 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.769 -5.082 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.099 -5.929 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.215 -4.153 0.013 1.00 0.00 H new ATOM 323 N THR A 22 -3.059 -3.352 -4.892 1.00 0.00 N ATOM 324 CA THR A 22 -2.910 -3.720 -6.302 1.00 0.00 C ATOM 325 C THR A 22 -1.530 -4.342 -6.554 1.00 0.00 C ATOM 326 O THR A 22 -0.536 -3.608 -6.550 1.00 0.00 O ATOM 327 CB THR A 22 -3.145 -2.508 -7.212 1.00 0.00 C ATOM 328 OG1 THR A 22 -4.435 -1.960 -7.031 1.00 0.00 O ATOM 329 CG2 THR A 22 -2.998 -2.872 -8.698 1.00 0.00 C ATOM 0 H THR A 22 -3.185 -2.353 -4.731 1.00 0.00 H new ATOM 0 HA THR A 22 -3.667 -4.467 -6.543 1.00 0.00 H new ATOM 0 HB THR A 22 -2.386 -1.777 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.805 -2.269 -6.178 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.172 -1.986 -9.309 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.992 -3.248 -8.883 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.726 -3.641 -8.958 1.00 0.00 H new ATOM 337 N VAL A 23 -1.470 -5.661 -6.762 1.00 0.00 N ATOM 338 CA VAL A 23 -0.254 -6.426 -7.037 1.00 0.00 C ATOM 339 C VAL A 23 -0.143 -6.668 -8.538 1.00 0.00 C ATOM 340 O VAL A 23 -1.136 -7.006 -9.187 1.00 0.00 O ATOM 341 CB VAL A 23 -0.302 -7.774 -6.272 1.00 0.00 C ATOM 342 CG1 VAL A 23 0.938 -8.645 -6.518 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.460 -7.592 -4.756 1.00 0.00 C ATOM 0 H VAL A 23 -2.304 -6.248 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 23 0.620 -5.867 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.182 -8.277 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.847 -9.575 -5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.020 -8.870 -7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.829 -8.110 -6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.488 -8.569 -4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.383 -7.019 -4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.387 -7.058 -4.548 1.00 0.00 H new ATOM 353 N ARG A 24 1.064 -6.568 -9.106 1.00 0.00 N ATOM 354 CA ARG A 24 1.347 -7.151 -10.410 1.00 0.00 C ATOM 355 C ARG A 24 1.467 -8.648 -10.263 1.00 0.00 C ATOM 356 O ARG A 24 2.405 -9.132 -9.634 1.00 0.00 O ATOM 357 CB ARG A 24 2.689 -6.643 -10.946 1.00 0.00 C ATOM 358 CG ARG A 24 3.107 -7.322 -12.249 1.00 0.00 C ATOM 359 CD ARG A 24 4.468 -6.837 -12.733 1.00 0.00 C ATOM 360 NE ARG A 24 4.809 -7.446 -14.015 1.00 0.00 N ATOM 361 CZ ARG A 24 4.403 -7.064 -15.225 1.00 0.00 C ATOM 362 NH1 ARG A 24 3.568 -6.040 -15.381 1.00 0.00 N ATOM 363 NH2 ARG A 24 4.897 -7.713 -16.266 1.00 0.00 N ATOM 0 H ARG A 24 1.856 -6.088 -8.679 1.00 0.00 H new ATOM 0 HA ARG A 24 0.541 -6.876 -11.091 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.626 -5.567 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.460 -6.807 -10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.138 -8.402 -12.102 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.358 -7.126 -13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.458 -5.752 -12.832 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.231 -7.083 -11.994 1.00 0.00 H new ATOM 0 HE ARG A 24 5.428 -8.256 -13.981 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.227 -5.531 -14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.269 -5.763 -16.316 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.562 -8.473 -16.124 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.613 -7.453 -17.211 1.00 0.00 H new ATOM 377 N LEU A 25 0.623 -9.365 -10.985 1.00 0.00 N ATOM 378 CA LEU A 25 0.827 -10.748 -11.298 1.00 0.00 C ATOM 379 C LEU A 25 1.163 -10.830 -12.769 1.00 0.00 C ATOM 380 O LEU A 25 0.275 -11.033 -13.599 1.00 0.00 O ATOM 381 CB LEU A 25 -0.460 -11.460 -10.983 1.00 0.00 C ATOM 382 CG LEU A 25 -0.772 -11.609 -9.496 1.00 0.00 C ATOM 383 CD1 LEU A 25 0.428 -11.882 -8.591 1.00 0.00 C ATOM 384 CD2 LEU A 25 -1.622 -10.544 -8.845 1.00 0.00 C ATOM 0 H LEU A 25 -0.239 -8.983 -11.373 1.00 0.00 H new ATOM 0 HA LEU A 25 1.636 -11.205 -10.729 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.280 -10.922 -11.458 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.427 -12.452 -11.432 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.386 -12.507 -9.567 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.092 -11.970 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.910 -12.811 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.140 -11.060 -8.672 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.759 -10.782 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.127 -9.577 -8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.594 -10.503 -9.337 1.00 0.00 H new ATOM 436 N SER A 30 -3.333 -9.492 -12.455 1.00 0.00 N ATOM 437 CA SER A 30 -3.146 -8.696 -11.254 1.00 0.00 C ATOM 438 C SER A 30 -4.285 -8.907 -10.246 1.00 0.00 C ATOM 439 O SER A 30 -5.356 -9.420 -10.584 1.00 0.00 O ATOM 440 CB SER A 30 -2.953 -7.210 -11.627 1.00 0.00 C ATOM 441 OG SER A 30 -3.147 -6.904 -12.998 1.00 0.00 O ATOM 0 HA SER A 30 -2.239 -9.033 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.645 -6.610 -11.035 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.945 -6.908 -11.342 1.00 0.00 H new ATOM 0 HG SER A 30 -3.316 -7.730 -13.497 1.00 0.00 H new ATOM 447 N PHE A 31 -4.029 -8.544 -8.993 1.00 0.00 N ATOM 448 CA PHE A 31 -4.935 -8.761 -7.885 1.00 0.00 C ATOM 449 C PHE A 31 -5.053 -7.441 -7.166 1.00 0.00 C ATOM 450 O PHE A 31 -4.032 -6.789 -6.939 1.00 0.00 O ATOM 451 CB PHE A 31 -4.370 -9.826 -6.929 1.00 0.00 C ATOM 452 CG PHE A 31 -5.287 -10.093 -5.750 1.00 0.00 C ATOM 453 CD1 PHE A 31 -6.406 -10.928 -5.924 1.00 0.00 C ATOM 454 CD2 PHE A 31 -5.084 -9.437 -4.516 1.00 0.00 C ATOM 455 CE1 PHE A 31 -7.340 -11.082 -4.884 1.00 0.00 C ATOM 456 CE2 PHE A 31 -6.027 -9.583 -3.481 1.00 0.00 C ATOM 457 CZ PHE A 31 -7.161 -10.392 -3.673 1.00 0.00 C ATOM 0 H PHE A 31 -3.163 -8.080 -8.720 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.904 -9.114 -8.238 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.210 -10.754 -7.478 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.397 -9.500 -6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.548 -11.452 -6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.207 -8.825 -4.367 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.194 -11.730 -5.016 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.880 -9.074 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.897 -10.483 -2.887 1.00 0.00 H new ATOM 467 N ASP A 32 -6.253 -7.080 -6.734 1.00 0.00 N ATOM 468 CA ASP A 32 -6.454 -5.914 -5.899 1.00 0.00 C ATOM 469 C ASP A 32 -7.375 -6.251 -4.736 1.00 0.00 C ATOM 470 O ASP A 32 -8.272 -7.090 -4.844 1.00 0.00 O ATOM 471 CB ASP A 32 -7.001 -4.751 -6.730 1.00 0.00 C ATOM 472 CG ASP A 32 -7.005 -3.489 -5.884 1.00 0.00 C ATOM 473 OD1 ASP A 32 -5.969 -3.212 -5.242 1.00 0.00 O ATOM 474 OD2 ASP A 32 -8.031 -2.771 -5.841 1.00 0.00 O ATOM 0 H ASP A 32 -7.110 -7.588 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.495 -5.603 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.388 -4.605 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.011 -4.977 -7.072 1.00 0.00 H new ATOM 479 N GLY A 33 -7.141 -5.593 -3.608 1.00 0.00 N ATOM 480 CA GLY A 33 -7.858 -5.799 -2.359 1.00 0.00 C ATOM 481 C GLY A 33 -7.602 -4.619 -1.431 1.00 0.00 C ATOM 482 O GLY A 33 -7.143 -3.566 -1.878 1.00 0.00 O ATOM 0 H GLY A 33 -6.420 -4.875 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.926 -5.900 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.531 -6.725 -1.887 1.00 0.00 H new ATOM 486 N THR A 34 -7.876 -4.785 -0.145 1.00 0.00 N ATOM 487 CA THR A 34 -7.728 -3.749 0.864 1.00 0.00 C ATOM 488 C THR A 34 -6.967 -4.362 2.041 1.00 0.00 C ATOM 489 O THR A 34 -6.952 -5.582 2.204 1.00 0.00 O ATOM 490 CB THR A 34 -9.134 -3.274 1.284 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.038 -3.220 0.192 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.151 -1.909 1.974 1.00 0.00 C ATOM 0 H THR A 34 -8.217 -5.668 0.234 1.00 0.00 H new ATOM 0 HA THR A 34 -7.175 -2.886 0.492 1.00 0.00 H new ATOM 0 HB THR A 34 -9.454 -4.030 2.001 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.914 -2.916 0.508 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.176 -1.647 2.238 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.543 -1.951 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.746 -1.155 1.299 1.00 0.00 H new ATOM 500 N ALA A 35 -6.410 -3.541 2.924 1.00 0.00 N ATOM 501 CA ALA A 35 -6.122 -3.960 4.280 1.00 0.00 C ATOM 502 C ALA A 35 -6.207 -2.763 5.207 1.00 0.00 C ATOM 503 O ALA A 35 -6.122 -1.614 4.758 1.00 0.00 O ATOM 504 CB ALA A 35 -4.735 -4.612 4.402 1.00 0.00 C ATOM 0 H ALA A 35 -6.150 -2.577 2.718 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.862 -4.709 4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.563 -4.910 5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.688 -5.491 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.969 -3.898 4.098 1.00 0.00 H new ATOM 510 N ALA A 36 -6.343 -3.046 6.500 1.00 0.00 N ATOM 511 CA ALA A 36 -5.944 -2.118 7.538 1.00 0.00 C ATOM 512 C ALA A 36 -4.418 -2.174 7.640 1.00 0.00 C ATOM 513 O ALA A 36 -3.826 -3.254 7.553 1.00 0.00 O ATOM 514 CB ALA A 36 -6.596 -2.511 8.866 1.00 0.00 C ATOM 0 H ALA A 36 -6.731 -3.922 6.850 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.265 -1.104 7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.292 -1.809 9.642 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.681 -2.487 8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.281 -3.517 9.143 1.00 0.00 H new ATOM 520 N ILE A 37 -3.791 -1.016 7.829 1.00 0.00 N ATOM 521 CA ILE A 37 -2.424 -0.907 8.319 1.00 0.00 C ATOM 522 C ILE A 37 -2.442 -1.353 9.795 1.00 0.00 C ATOM 523 O ILE A 37 -3.483 -1.333 10.465 1.00 0.00 O ATOM 524 CB ILE A 37 -1.914 0.548 8.089 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.908 0.884 6.574 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.484 0.790 8.609 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.509 2.320 6.201 1.00 0.00 C ATOM 0 H ILE A 37 -4.228 -0.113 7.642 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.722 -1.548 7.786 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.601 1.184 8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.226 0.197 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.904 0.690 6.176 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.196 1.823 8.415 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.450 0.599 9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.207 0.119 8.099 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.541 2.437 5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.204 3.022 6.662 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.499 2.521 6.558 1.00 0.00 H new ATOM 539 N THR A 38 -1.275 -1.747 10.294 1.00 0.00 N ATOM 540 CA THR A 38 -1.004 -2.110 11.679 1.00 0.00 C ATOM 541 C THR A 38 0.254 -1.425 12.214 1.00 0.00 C ATOM 542 O THR A 38 0.379 -1.162 13.415 1.00 0.00 O ATOM 543 CB THR A 38 -0.847 -3.643 11.789 1.00 0.00 C ATOM 544 OG1 THR A 38 0.265 -4.108 11.032 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.092 -4.417 11.341 1.00 0.00 C ATOM 0 H THR A 38 -0.445 -1.826 9.707 1.00 0.00 H new ATOM 0 HA THR A 38 -1.847 -1.773 12.283 1.00 0.00 H new ATOM 0 HB THR A 38 -0.690 -3.833 12.851 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.097 -3.814 11.458 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.912 -5.487 11.445 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.941 -4.130 11.961 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.309 -4.185 10.298 1.00 0.00 H new ATOM 553 N SER A 39 1.220 -1.179 11.329 1.00 0.00 N ATOM 554 CA SER A 39 2.546 -0.683 11.650 1.00 0.00 C ATOM 555 C SER A 39 2.938 0.226 10.493 1.00 0.00 C ATOM 556 O SER A 39 2.523 -0.019 9.360 1.00 0.00 O ATOM 557 CB SER A 39 3.523 -1.858 11.837 1.00 0.00 C ATOM 558 OG SER A 39 2.868 -3.004 12.373 1.00 0.00 O ATOM 0 H SER A 39 1.088 -1.328 10.329 1.00 0.00 H new ATOM 0 HA SER A 39 2.569 -0.129 12.588 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.975 -2.112 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.333 -1.557 12.502 1.00 0.00 H new ATOM 0 HG SER A 39 3.516 -3.732 12.478 1.00 0.00 H new ATOM 564 N LEU A 40 3.669 1.298 10.770 1.00 0.00 N ATOM 565 CA LEU A 40 3.991 2.350 9.824 1.00 0.00 C ATOM 566 C LEU A 40 5.181 3.106 10.400 1.00 0.00 C ATOM 567 O LEU A 40 5.019 3.945 11.288 1.00 0.00 O ATOM 568 CB LEU A 40 2.765 3.256 9.620 1.00 0.00 C ATOM 569 CG LEU A 40 3.011 4.461 8.693 1.00 0.00 C ATOM 570 CD1 LEU A 40 3.286 4.031 7.250 1.00 0.00 C ATOM 571 CD2 LEU A 40 1.778 5.360 8.699 1.00 0.00 C ATOM 0 H LEU A 40 4.067 1.461 11.695 1.00 0.00 H new ATOM 0 HA LEU A 40 4.251 1.956 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.951 2.658 9.210 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.434 3.622 10.592 1.00 0.00 H new ATOM 0 HG LEU A 40 3.888 4.989 9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.453 4.914 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.171 3.395 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.429 3.477 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.948 6.215 8.044 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.915 4.796 8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.589 5.712 9.713 1.00 0.00 H new ATOM 583 N LYS A 41 6.377 2.833 9.887 1.00 0.00 N ATOM 584 CA LYS A 41 7.617 3.494 10.234 1.00 0.00 C ATOM 585 C LYS A 41 8.176 4.090 8.947 1.00 0.00 C ATOM 586 O LYS A 41 9.082 3.534 8.326 1.00 0.00 O ATOM 587 CB LYS A 41 8.570 2.510 10.930 1.00 0.00 C ATOM 588 CG LYS A 41 9.651 3.319 11.660 1.00 0.00 C ATOM 589 CD LYS A 41 10.864 2.489 12.085 1.00 0.00 C ATOM 590 CE LYS A 41 11.697 2.094 10.859 1.00 0.00 C ATOM 591 NZ LYS A 41 13.075 1.733 11.237 1.00 0.00 N ATOM 0 H LYS A 41 6.507 2.107 9.183 1.00 0.00 H new ATOM 0 HA LYS A 41 7.469 4.299 10.954 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.022 1.886 11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.025 1.841 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.986 4.128 11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.211 3.781 12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.478 3.060 12.781 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.534 1.594 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.225 1.252 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.718 2.921 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.611 1.471 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.533 2.545 11.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.055 0.928 11.895 1.00 0.00 H new ATOM 605 N GLY A 42 7.625 5.225 8.535 1.00 0.00 N ATOM 606 CA GLY A 42 8.092 5.982 7.391 1.00 0.00 C ATOM 607 C GLY A 42 7.878 5.205 6.104 1.00 0.00 C ATOM 608 O GLY A 42 6.735 4.899 5.755 1.00 0.00 O ATOM 0 H GLY A 42 6.823 5.650 9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.563 6.933 7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.151 6.212 7.510 1.00 0.00 H new ATOM 612 N SER A 43 8.973 4.887 5.412 1.00 0.00 N ATOM 613 CA SER A 43 9.028 4.085 4.189 1.00 0.00 C ATOM 614 C SER A 43 8.601 2.654 4.378 1.00 0.00 C ATOM 615 O SER A 43 8.641 1.952 3.382 1.00 0.00 O ATOM 616 CB SER A 43 10.455 4.121 3.627 1.00 0.00 C ATOM 617 OG SER A 43 11.406 3.845 4.643 1.00 0.00 O ATOM 0 H SER A 43 9.898 5.200 5.707 1.00 0.00 H new ATOM 0 HA SER A 43 8.316 4.529 3.493 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.552 3.391 2.824 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.655 5.101 3.193 1.00 0.00 H new ATOM 0 HG SER A 43 12.309 3.871 4.262 1.00 0.00 H new ATOM 623 N LEU A 44 8.230 2.226 5.579 1.00 0.00 N ATOM 624 CA LEU A 44 7.853 0.854 5.863 1.00 0.00 C ATOM 625 C LEU A 44 6.497 0.866 6.535 1.00 0.00 C ATOM 626 O LEU A 44 6.287 1.659 7.450 1.00 0.00 O ATOM 627 CB LEU A 44 8.935 0.215 6.743 1.00 0.00 C ATOM 628 CG LEU A 44 8.915 -1.321 6.851 1.00 0.00 C ATOM 629 CD1 LEU A 44 7.950 -1.867 7.907 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.740 -2.046 5.514 1.00 0.00 C ATOM 0 H LEU A 44 8.183 2.837 6.395 1.00 0.00 H new ATOM 0 HA LEU A 44 7.776 0.259 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.909 0.517 6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.846 0.629 7.747 1.00 0.00 H new ATOM 0 HG LEU A 44 9.922 -1.551 7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.999 -2.956 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.229 -1.483 8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.934 -1.552 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.737 -3.123 5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.796 -1.747 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.563 -1.785 4.848 1.00 0.00 H new ATOM 642 N ALA A 45 5.610 -0.041 6.153 1.00 0.00 N ATOM 643 CA ALA A 45 4.368 -0.318 6.864 1.00 0.00 C ATOM 644 C ALA A 45 4.152 -1.827 6.892 1.00 0.00 C ATOM 645 O ALA A 45 4.797 -2.546 6.128 1.00 0.00 O ATOM 646 CB ALA A 45 3.191 0.399 6.190 1.00 0.00 C ATOM 0 H ALA A 45 5.735 -0.618 5.322 1.00 0.00 H new ATOM 0 HA ALA A 45 4.432 0.056 7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.272 0.181 6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.369 1.474 6.195 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.094 0.052 5.161 1.00 0.00 H new ATOM 652 N TRP A 46 3.223 -2.284 7.727 1.00 0.00 N ATOM 653 CA TRP A 46 2.698 -3.648 7.758 1.00 0.00 C ATOM 654 C TRP A 46 1.173 -3.578 7.739 1.00 0.00 C ATOM 655 O TRP A 46 0.592 -2.613 8.255 1.00 0.00 O ATOM 656 CB TRP A 46 3.170 -4.396 9.013 1.00 0.00 C ATOM 657 CG TRP A 46 4.563 -4.956 8.983 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.712 -4.267 9.176 1.00 0.00 C ATOM 659 CD2 TRP A 46 4.969 -6.338 8.741 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.793 -5.120 9.043 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.392 -6.402 8.755 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.285 -7.546 8.494 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.099 -7.585 8.494 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.982 -8.742 8.252 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.389 -8.765 8.240 1.00 0.00 C ATOM 0 H TRP A 46 2.795 -1.686 8.434 1.00 0.00 H new ATOM 0 HA TRP A 46 3.066 -4.193 6.889 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.095 -3.716 9.862 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.478 -5.217 9.200 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.775 -3.212 9.400 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.766 -4.833 9.146 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.205 -7.552 8.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.179 -7.586 8.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.432 -9.654 8.073 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.917 -9.685 8.037 1.00 0.00 H new ATOM 676 N LEU A 47 0.547 -4.600 7.149 1.00 0.00 N ATOM 677 CA LEU A 47 -0.891 -4.766 6.999 1.00 0.00 C ATOM 678 C LEU A 47 -1.373 -6.031 7.713 1.00 0.00 C ATOM 679 O LEU A 47 -0.558 -6.878 8.097 1.00 0.00 O ATOM 680 CB LEU A 47 -1.226 -4.930 5.510 1.00 0.00 C ATOM 681 CG LEU A 47 -0.829 -3.830 4.520 1.00 0.00 C ATOM 682 CD1 LEU A 47 -1.168 -2.416 5.000 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.631 -3.898 4.074 1.00 0.00 C ATOM 0 H LEU A 47 1.067 -5.377 6.741 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.378 -3.890 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.762 -5.857 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.305 -5.066 5.431 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.449 -4.040 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.857 -1.692 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.243 -2.334 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.645 -2.214 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.836 -3.088 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.282 -3.801 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.818 -4.854 3.586 1.00 0.00 H new ATOM 695 N GLU A 48 -2.696 -6.207 7.804 1.00 0.00 N ATOM 696 CA GLU A 48 -3.331 -7.479 8.157 1.00 0.00 C ATOM 697 C GLU A 48 -4.694 -7.639 7.449 1.00 0.00 C ATOM 698 O GLU A 48 -5.739 -7.857 8.066 1.00 0.00 O ATOM 699 CB GLU A 48 -3.381 -7.605 9.694 1.00 0.00 C ATOM 700 CG GLU A 48 -3.901 -8.976 10.148 1.00 0.00 C ATOM 701 CD GLU A 48 -3.749 -9.269 11.638 1.00 0.00 C ATOM 702 OE1 GLU A 48 -3.126 -8.497 12.405 1.00 0.00 O ATOM 703 OE2 GLU A 48 -4.234 -10.346 12.057 1.00 0.00 O ATOM 0 H GLU A 48 -3.365 -5.457 7.631 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.739 -8.319 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.383 -7.443 10.102 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.022 -6.823 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.956 -9.051 9.885 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.377 -9.749 9.587 1.00 0.00 H new ATOM 710 N LEU A 49 -4.666 -7.592 6.114 1.00 0.00 N ATOM 711 CA LEU A 49 -5.798 -7.807 5.206 1.00 0.00 C ATOM 712 C LEU A 49 -7.074 -7.030 5.584 1.00 0.00 C ATOM 713 O LEU A 49 -7.045 -6.092 6.391 1.00 0.00 O ATOM 714 CB LEU A 49 -6.044 -9.323 5.004 1.00 0.00 C ATOM 715 CG LEU A 49 -5.760 -9.804 3.567 1.00 0.00 C ATOM 716 CD1 LEU A 49 -6.255 -11.246 3.423 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.475 -9.015 2.458 1.00 0.00 C ATOM 0 H LEU A 49 -3.803 -7.391 5.608 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.516 -7.377 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.414 -9.881 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.079 -9.553 5.258 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.685 -9.675 3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -6.060 -11.598 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.732 -11.883 4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.326 -11.284 3.620 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.210 -9.431 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.554 -9.084 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.170 -7.970 2.500 1.00 0.00 H new ATOM 729 N PHE A 50 -8.197 -7.339 4.925 1.00 0.00 N ATOM 730 CA PHE A 50 -9.484 -6.708 5.206 1.00 0.00 C ATOM 731 C PHE A 50 -10.664 -7.648 5.431 1.00 0.00 C ATOM 732 O PHE A 50 -11.663 -7.207 6.020 1.00 0.00 O ATOM 733 CB PHE A 50 -9.796 -5.722 4.078 1.00 0.00 C ATOM 734 CG PHE A 50 -10.409 -4.435 4.555 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.795 -3.729 5.601 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.564 -3.923 3.945 1.00 0.00 C ATOM 737 CE1 PHE A 50 -10.373 -2.554 6.077 1.00 0.00 C ATOM 738 CE2 PHE A 50 -12.132 -2.727 4.407 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.539 -2.049 5.481 1.00 0.00 C ATOM 0 H PHE A 50 -8.235 -8.036 4.181 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.365 -6.211 6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.876 -5.498 3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.474 -6.197 3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.877 -4.096 6.036 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.016 -4.451 3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.922 -2.030 6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.021 -2.331 3.938 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.981 -1.135 5.851 1.00 0.00 H new ATOM 781 N GLN A 54 -8.922 -12.185 -0.663 1.00 0.00 N ATOM 782 CA GLN A 54 -7.531 -12.595 -0.453 1.00 0.00 C ATOM 783 C GLN A 54 -6.865 -13.032 -1.771 1.00 0.00 C ATOM 784 O GLN A 54 -7.567 -13.516 -2.666 1.00 0.00 O ATOM 785 CB GLN A 54 -7.434 -13.678 0.640 1.00 0.00 C ATOM 786 CG GLN A 54 -7.882 -15.089 0.217 1.00 0.00 C ATOM 787 CD GLN A 54 -7.611 -16.147 1.285 1.00 0.00 C ATOM 788 OE1 GLN A 54 -8.537 -16.767 1.807 1.00 0.00 O ATOM 789 NE2 GLN A 54 -6.362 -16.362 1.662 1.00 0.00 N ATOM 0 HA GLN A 54 -6.974 -11.728 -0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.401 -13.731 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.037 -13.364 1.492 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.948 -15.073 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.366 -15.368 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.601 -15.844 1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.160 -17.046 2.391 1.00 0.00 H new ATOM 798 N PRO A 55 -5.531 -12.898 -1.896 1.00 0.00 N ATOM 799 CA PRO A 55 -4.797 -13.246 -3.113 1.00 0.00 C ATOM 800 C PRO A 55 -4.715 -14.763 -3.339 1.00 0.00 C ATOM 801 O PRO A 55 -4.892 -15.536 -2.391 1.00 0.00 O ATOM 802 CB PRO A 55 -3.389 -12.666 -2.925 1.00 0.00 C ATOM 803 CG PRO A 55 -3.229 -12.563 -1.412 1.00 0.00 C ATOM 804 CD PRO A 55 -4.639 -12.328 -0.898 1.00 0.00 C ATOM 0 HA PRO A 55 -5.306 -12.843 -3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.629 -13.313 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.292 -11.691 -3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.801 -13.474 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.564 -11.744 -1.138 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.785 -12.803 0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.833 -11.264 -0.764 1.00 0.00 H new ATOM 812 N PRO A 56 -4.348 -15.210 -4.558 1.00 0.00 N ATOM 813 CA PRO A 56 -4.039 -16.613 -4.802 1.00 0.00 C ATOM 814 C PRO A 56 -2.806 -17.069 -4.001 1.00 0.00 C ATOM 815 O PRO A 56 -2.013 -16.239 -3.538 1.00 0.00 O ATOM 816 CB PRO A 56 -3.828 -16.750 -6.311 1.00 0.00 C ATOM 817 CG PRO A 56 -3.511 -15.340 -6.792 1.00 0.00 C ATOM 818 CD PRO A 56 -4.084 -14.397 -5.740 1.00 0.00 C ATOM 0 HA PRO A 56 -4.852 -17.258 -4.468 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -3.012 -17.437 -6.535 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.719 -17.143 -6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.436 -15.197 -6.899 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.957 -15.152 -7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.380 -13.597 -5.511 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.999 -13.925 -6.099 1.00 0.00 H new ATOM 826 N PRO A 57 -2.623 -18.384 -3.802 1.00 0.00 N ATOM 827 CA PRO A 57 -1.566 -18.907 -2.953 1.00 0.00 C ATOM 828 C PRO A 57 -0.215 -18.933 -3.660 1.00 0.00 C ATOM 829 O PRO A 57 -0.151 -18.925 -4.895 1.00 0.00 O ATOM 830 CB PRO A 57 -2.012 -20.313 -2.572 1.00 0.00 C ATOM 831 CG PRO A 57 -2.771 -20.749 -3.823 1.00 0.00 C ATOM 832 CD PRO A 57 -3.482 -19.466 -4.244 1.00 0.00 C ATOM 0 HA PRO A 57 -1.419 -18.272 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.166 -20.966 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.648 -20.315 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.098 -21.113 -4.599 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.476 -21.552 -3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.629 -19.435 -5.324 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.469 -19.396 -3.786 1.00 0.00 H new ATOM 840 N ASN A 58 0.861 -18.986 -2.864 1.00 0.00 N ATOM 841 CA ASN A 58 2.270 -18.985 -3.284 1.00 0.00 C ATOM 842 C ASN A 58 2.551 -17.938 -4.363 1.00 0.00 C ATOM 843 O ASN A 58 3.358 -18.149 -5.273 1.00 0.00 O ATOM 844 CB ASN A 58 2.734 -20.400 -3.667 1.00 0.00 C ATOM 845 CG ASN A 58 2.861 -21.274 -2.432 1.00 0.00 C ATOM 846 OD1 ASN A 58 3.535 -20.914 -1.471 1.00 0.00 O ATOM 847 ND2 ASN A 58 2.185 -22.403 -2.387 1.00 0.00 N ATOM 0 H ASN A 58 0.766 -19.034 -1.850 1.00 0.00 H new ATOM 0 HA ASN A 58 2.875 -18.683 -2.429 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.023 -20.846 -4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.693 -20.347 -4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.219 -22.985 -1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.627 -22.696 -3.189 1.00 0.00 H new ATOM 854 N THR A 59 1.826 -16.823 -4.294 1.00 0.00 N ATOM 855 CA THR A 59 1.810 -15.795 -5.312 1.00 0.00 C ATOM 856 C THR A 59 2.476 -14.552 -4.741 1.00 0.00 C ATOM 857 O THR A 59 3.457 -14.082 -5.321 1.00 0.00 O ATOM 858 CB THR A 59 0.370 -15.567 -5.794 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.117 -16.725 -6.449 1.00 0.00 O ATOM 860 CG2 THR A 59 0.337 -14.429 -6.789 1.00 0.00 C ATOM 0 H THR A 59 1.219 -16.612 -3.502 1.00 0.00 H new ATOM 0 HA THR A 59 2.375 -16.090 -6.196 1.00 0.00 H new ATOM 0 HB THR A 59 -0.247 -15.337 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.311 -17.419 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.687 -14.271 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.706 -13.520 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.968 -14.674 -7.643 1.00 0.00 H new ATOM 868 N LEU A 60 1.982 -14.028 -3.612 1.00 0.00 N ATOM 869 CA LEU A 60 2.633 -12.906 -2.951 1.00 0.00 C ATOM 870 C LEU A 60 4.081 -13.285 -2.675 1.00 0.00 C ATOM 871 O LEU A 60 4.344 -14.359 -2.132 1.00 0.00 O ATOM 872 CB LEU A 60 1.923 -12.505 -1.653 1.00 0.00 C ATOM 873 CG LEU A 60 0.600 -11.745 -1.832 1.00 0.00 C ATOM 874 CD1 LEU A 60 0.063 -11.329 -0.464 1.00 0.00 C ATOM 875 CD2 LEU A 60 0.775 -10.462 -2.651 1.00 0.00 C ATOM 0 H LEU A 60 1.140 -14.365 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 60 2.586 -12.038 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.729 -13.407 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.601 -11.887 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.081 -12.417 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.876 -10.790 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.108 -12.217 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.789 -10.683 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.187 -9.960 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.479 -9.801 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.158 -10.711 -3.641 1.00 0.00 H new ATOM 887 N SER A 61 5.009 -12.434 -3.105 1.00 0.00 N ATOM 888 CA SER A 61 6.436 -12.638 -2.932 1.00 0.00 C ATOM 889 C SER A 61 7.019 -11.386 -2.287 1.00 0.00 C ATOM 890 O SER A 61 6.448 -10.302 -2.410 1.00 0.00 O ATOM 891 CB SER A 61 7.108 -12.875 -4.289 1.00 0.00 C ATOM 892 OG SER A 61 6.420 -13.796 -5.121 1.00 0.00 O ATOM 0 H SER A 61 4.781 -11.568 -3.593 1.00 0.00 H new ATOM 0 HA SER A 61 6.611 -13.511 -2.303 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.193 -11.922 -4.812 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.122 -13.239 -4.122 1.00 0.00 H new ATOM 0 HG SER A 61 5.463 -13.584 -5.122 1.00 0.00 H new ATOM 898 N GLU A 62 8.190 -11.504 -1.672 1.00 0.00 N ATOM 899 CA GLU A 62 8.799 -10.446 -0.861 1.00 0.00 C ATOM 900 C GLU A 62 9.286 -9.233 -1.668 1.00 0.00 C ATOM 901 O GLU A 62 9.748 -8.239 -1.105 1.00 0.00 O ATOM 902 CB GLU A 62 9.958 -11.004 -0.036 1.00 0.00 C ATOM 903 CG GLU A 62 9.555 -12.149 0.895 1.00 0.00 C ATOM 904 CD GLU A 62 10.475 -12.208 2.108 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.709 -12.348 1.933 1.00 0.00 O ATOM 906 OE2 GLU A 62 9.981 -12.123 3.251 1.00 0.00 O ATOM 0 H GLU A 62 8.756 -12.351 -1.721 1.00 0.00 H new ATOM 0 HA GLU A 62 8.002 -10.087 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.738 -11.355 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.390 -10.199 0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.524 -12.013 1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.596 -13.095 0.355 1.00 0.00 H new ATOM 913 N GLY A 63 9.184 -9.298 -2.986 1.00 0.00 N ATOM 914 CA GLY A 63 9.583 -8.280 -3.939 1.00 0.00 C ATOM 915 C GLY A 63 8.493 -8.052 -4.978 1.00 0.00 C ATOM 916 O GLY A 63 8.795 -7.506 -6.039 1.00 0.00 O ATOM 0 H GLY A 63 8.794 -10.120 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.792 -7.347 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.506 -8.581 -4.434 1.00 0.00 H new ATOM 920 N ALA A 64 7.246 -8.458 -4.696 1.00 0.00 N ATOM 921 CA ALA A 64 6.125 -8.183 -5.583 1.00 0.00 C ATOM 922 C ALA A 64 6.008 -6.667 -5.678 1.00 0.00 C ATOM 923 O ALA A 64 6.071 -5.990 -4.646 1.00 0.00 O ATOM 924 CB ALA A 64 4.849 -8.830 -5.032 1.00 0.00 C ATOM 0 H ALA A 64 6.996 -8.979 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 64 6.277 -8.604 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.016 -8.619 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.991 -9.908 -4.957 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.632 -8.423 -4.044 1.00 0.00 H new ATOM 930 N GLU A 65 5.907 -6.135 -6.895 1.00 0.00 N ATOM 931 CA GLU A 65 5.582 -4.742 -7.088 1.00 0.00 C ATOM 932 C GLU A 65 4.090 -4.597 -6.808 1.00 0.00 C ATOM 933 O GLU A 65 3.237 -5.300 -7.363 1.00 0.00 O ATOM 934 CB GLU A 65 6.026 -4.206 -8.458 1.00 0.00 C ATOM 935 CG GLU A 65 5.430 -4.907 -9.677 1.00 0.00 C ATOM 936 CD GLU A 65 5.700 -4.164 -10.982 1.00 0.00 C ATOM 937 OE1 GLU A 65 6.887 -4.110 -11.384 1.00 0.00 O ATOM 938 OE2 GLU A 65 4.736 -3.732 -11.664 1.00 0.00 O ATOM 0 H GLU A 65 6.048 -6.659 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 65 6.142 -4.113 -6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.771 -3.148 -8.512 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.112 -4.276 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.841 -5.914 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.354 -5.010 -9.540 1.00 0.00 H new ATOM 945 N VAL A 66 3.802 -3.713 -5.867 1.00 0.00 N ATOM 946 CA VAL A 66 2.472 -3.444 -5.367 1.00 0.00 C ATOM 947 C VAL A 66 2.262 -1.936 -5.281 1.00 0.00 C ATOM 948 O VAL A 66 3.225 -1.163 -5.307 1.00 0.00 O ATOM 949 CB VAL A 66 2.256 -4.163 -4.020 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.375 -5.678 -4.182 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.208 -3.700 -2.907 1.00 0.00 C ATOM 0 H VAL A 66 4.518 -3.144 -5.416 1.00 0.00 H new ATOM 0 HA VAL A 66 1.720 -3.838 -6.051 1.00 0.00 H new ATOM 0 HB VAL A 66 1.246 -3.893 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.218 -6.160 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.623 -6.028 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.368 -5.927 -4.555 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.993 -4.252 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.239 -3.885 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.068 -2.634 -2.729 1.00 0.00 H new ATOM 961 N SER A 67 1.015 -1.493 -5.162 1.00 0.00 N ATOM 962 CA SER A 67 0.646 -0.094 -5.196 1.00 0.00 C ATOM 963 C SER A 67 -0.272 0.202 -4.016 1.00 0.00 C ATOM 964 O SER A 67 -1.228 -0.540 -3.771 1.00 0.00 O ATOM 965 CB SER A 67 -0.025 0.223 -6.535 1.00 0.00 C ATOM 966 OG SER A 67 0.173 -0.757 -7.550 1.00 0.00 O ATOM 0 H SER A 67 0.218 -2.117 -5.036 1.00 0.00 H new ATOM 0 HA SER A 67 1.528 0.541 -5.110 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.096 0.343 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.351 1.180 -6.896 1.00 0.00 H new ATOM 0 HG SER A 67 -0.288 -0.478 -8.368 1.00 0.00 H new ATOM 972 N VAL A 68 0.025 1.260 -3.273 1.00 0.00 N ATOM 973 CA VAL A 68 -0.759 1.705 -2.133 1.00 0.00 C ATOM 974 C VAL A 68 -1.664 2.820 -2.654 1.00 0.00 C ATOM 975 O VAL A 68 -1.185 3.672 -3.406 1.00 0.00 O ATOM 976 CB VAL A 68 0.174 2.253 -1.025 1.00 0.00 C ATOM 977 CG1 VAL A 68 -0.481 2.143 0.344 1.00 0.00 C ATOM 978 CG2 VAL A 68 1.555 1.602 -0.946 1.00 0.00 C ATOM 0 H VAL A 68 0.840 1.847 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.337 0.887 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 68 0.332 3.292 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.196 2.535 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.407 2.718 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.701 1.097 0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.127 2.059 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.444 0.535 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.080 1.748 -1.890 1.00 0.00 H new ATOM 988 N SER A 69 -2.925 2.883 -2.228 1.00 0.00 N ATOM 989 CA SER A 69 -3.716 4.104 -2.314 1.00 0.00 C ATOM 990 C SER A 69 -4.573 4.265 -1.070 1.00 0.00 C ATOM 991 O SER A 69 -4.882 3.267 -0.408 1.00 0.00 O ATOM 992 CB SER A 69 -4.548 4.137 -3.602 1.00 0.00 C ATOM 993 OG SER A 69 -5.577 3.171 -3.678 1.00 0.00 O ATOM 0 H SER A 69 -3.422 2.093 -1.817 1.00 0.00 H new ATOM 0 HA SER A 69 -3.039 4.957 -2.360 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.993 5.127 -3.703 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.879 4.000 -4.451 1.00 0.00 H new ATOM 0 HG SER A 69 -6.054 3.267 -4.529 1.00 0.00 H new ATOM 999 N VAL A 70 -4.968 5.503 -0.776 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.872 5.884 0.298 1.00 0.00 C ATOM 1001 C VAL A 70 -6.405 7.279 -0.034 1.00 0.00 C ATOM 1002 O VAL A 70 -5.706 8.072 -0.667 1.00 0.00 O ATOM 1003 CB VAL A 70 -5.117 5.827 1.645 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.816 6.643 1.665 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -5.990 6.231 2.832 1.00 0.00 C ATOM 0 H VAL A 70 -4.646 6.308 -1.313 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.718 5.203 0.391 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.848 4.776 1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.345 6.553 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.138 6.266 0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.041 7.691 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.406 6.172 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.344 7.253 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.844 5.558 2.901 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.629 7.585 0.380 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.183 8.930 0.395 1.00 0.00 C ATOM 1017 C TRP A 71 -7.808 9.555 1.731 1.00 0.00 C ATOM 1018 O TRP A 71 -8.111 9.002 2.789 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.695 8.853 0.192 1.00 0.00 C ATOM 1020 CG TRP A 71 -10.088 8.279 -1.134 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -10.335 6.976 -1.393 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.269 8.979 -2.400 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.672 6.821 -2.724 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.638 8.027 -3.396 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.176 10.328 -2.799 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.888 8.402 -4.727 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.432 10.714 -4.128 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.787 9.756 -5.092 1.00 0.00 C ATOM 0 H TRP A 71 -8.282 6.881 0.725 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.786 9.548 -0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.130 8.246 0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.118 9.853 0.287 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -10.278 6.177 -0.669 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.915 5.929 -3.155 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.903 11.079 -2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.155 7.657 -5.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.355 11.754 -4.409 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -10.982 10.059 -6.110 1.00 0.00 H new ATOM 1039 N THR A 72 -7.090 10.668 1.691 1.00 0.00 N ATOM 1040 CA THR A 72 -6.464 11.277 2.849 1.00 0.00 C ATOM 1041 C THR A 72 -6.422 12.767 2.521 1.00 0.00 C ATOM 1042 O THR A 72 -5.920 13.159 1.462 1.00 0.00 O ATOM 1043 CB THR A 72 -5.108 10.586 3.114 1.00 0.00 C ATOM 1044 OG1 THR A 72 -4.369 11.259 4.103 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.211 10.435 1.880 1.00 0.00 C ATOM 0 H THR A 72 -6.924 11.184 0.827 1.00 0.00 H new ATOM 0 HA THR A 72 -6.995 11.155 3.793 1.00 0.00 H new ATOM 0 HB THR A 72 -5.389 9.586 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.772 10.625 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.282 9.940 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.725 9.838 1.127 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.986 11.420 1.471 1.00 0.00 H new ATOM 1053 N GLY A 73 -7.073 13.593 3.335 1.00 0.00 N ATOM 1054 CA GLY A 73 -7.476 14.927 2.932 1.00 0.00 C ATOM 1055 C GLY A 73 -8.565 14.873 1.851 1.00 0.00 C ATOM 1056 O GLY A 73 -9.222 13.843 1.657 1.00 0.00 O ATOM 0 H GLY A 73 -7.334 13.352 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.846 15.476 3.798 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.611 15.473 2.555 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.773 15.981 1.138 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.779 16.121 0.082 1.00 0.00 C ATOM 1062 C GLY A 74 -9.466 15.348 -1.208 1.00 0.00 C ATOM 1063 O GLY A 74 -10.230 15.429 -2.176 1.00 0.00 O ATOM 0 H GLY A 74 -8.230 16.832 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.741 15.783 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.887 17.178 -0.161 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.363 14.596 -1.260 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.908 13.922 -2.458 1.00 0.00 C ATOM 1069 C ALA A 75 -7.414 12.516 -2.133 1.00 0.00 C ATOM 1070 O ALA A 75 -7.333 12.094 -0.975 1.00 0.00 O ATOM 1071 CB ALA A 75 -6.834 14.776 -3.152 1.00 0.00 C ATOM 0 H ALA A 75 -7.758 14.442 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.741 13.805 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.492 14.268 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.256 15.745 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.992 14.921 -2.476 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.119 11.776 -3.193 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.470 10.482 -3.129 1.00 0.00 C ATOM 1079 C LEU A 76 -4.990 10.717 -2.791 1.00 0.00 C ATOM 1080 O LEU A 76 -4.490 11.842 -2.856 1.00 0.00 O ATOM 1081 CB LEU A 76 -6.693 9.830 -4.506 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.371 8.335 -4.670 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -7.181 7.404 -3.768 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -6.698 7.957 -6.119 1.00 0.00 C ATOM 0 H LEU A 76 -7.332 12.071 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.866 9.817 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.739 9.976 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.096 10.380 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.324 8.207 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.886 6.371 -3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.992 7.654 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.243 7.522 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.483 6.900 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.754 8.145 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.091 8.556 -6.797 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.245 9.675 -2.458 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.814 9.597 -2.623 1.00 0.00 C ATOM 1098 C CYS A 77 -2.537 8.190 -3.145 1.00 0.00 C ATOM 1099 O CYS A 77 -3.299 7.258 -2.854 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.120 9.840 -1.278 1.00 0.00 C ATOM 1101 SG CYS A 77 -1.516 11.539 -1.246 1.00 0.00 S ATOM 0 H CYS A 77 -4.643 8.830 -2.049 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.434 10.350 -3.313 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.816 9.670 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.294 9.141 -1.146 1.00 0.00 H new ATOM 0 HG CYS A 77 -0.579 11.650 -0.351 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.440 8.020 -3.883 1.00 0.00 N ATOM 1108 CA ARG A 78 -0.934 6.718 -4.308 1.00 0.00 C ATOM 1109 C ARG A 78 0.557 6.743 -4.068 1.00 0.00 C ATOM 1110 O ARG A 78 1.171 7.810 -4.126 1.00 0.00 O ATOM 1111 CB ARG A 78 -1.217 6.467 -5.804 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.641 5.061 -6.253 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.502 4.064 -6.534 1.00 0.00 C ATOM 1114 NE ARG A 78 -0.444 3.642 -7.946 1.00 0.00 N ATOM 1115 CZ ARG A 78 -1.342 2.929 -8.642 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -2.443 2.443 -8.073 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -1.128 2.694 -9.928 1.00 0.00 N ATOM 0 H ARG A 78 -0.868 8.800 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.424 5.919 -3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.999 7.161 -6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.317 6.733 -6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.286 4.636 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.243 5.157 -7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.449 4.519 -6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.631 3.185 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 78 0.388 3.930 -8.461 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.621 2.609 -7.083 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.108 1.904 -8.627 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.287 3.054 -10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.804 2.153 -10.467 1.00 0.00 H new ATOM 1131 N CYS A 79 1.152 5.575 -3.900 1.00 0.00 N ATOM 1132 CA CYS A 79 2.557 5.414 -4.192 1.00 0.00 C ATOM 1133 C CYS A 79 2.723 4.007 -4.751 1.00 0.00 C ATOM 1134 O CYS A 79 1.897 3.123 -4.489 1.00 0.00 O ATOM 1135 CB CYS A 79 3.343 5.626 -2.889 1.00 0.00 C ATOM 1136 SG CYS A 79 5.130 5.810 -3.130 1.00 0.00 S ATOM 0 H CYS A 79 0.684 4.733 -3.565 1.00 0.00 H new ATOM 0 HA CYS A 79 2.933 6.133 -4.920 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.961 6.514 -2.386 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.161 4.781 -2.225 1.00 0.00 H new ATOM 0 HG CYS A 79 5.381 6.980 -3.638 1.00 0.00 H new ATOM 1142 N ASP A 80 3.784 3.797 -5.516 1.00 0.00 N ATOM 1143 CA ASP A 80 4.183 2.481 -5.997 1.00 0.00 C ATOM 1144 C ASP A 80 5.300 2.008 -5.065 1.00 0.00 C ATOM 1145 O ASP A 80 6.004 2.835 -4.481 1.00 0.00 O ATOM 1146 CB ASP A 80 4.699 2.599 -7.434 1.00 0.00 C ATOM 1147 CG ASP A 80 3.644 3.158 -8.389 1.00 0.00 C ATOM 1148 OD1 ASP A 80 2.562 2.541 -8.530 1.00 0.00 O ATOM 1149 OD2 ASP A 80 3.880 4.235 -8.987 1.00 0.00 O ATOM 0 H ASP A 80 4.402 4.547 -5.825 1.00 0.00 H new ATOM 0 HA ASP A 80 3.351 1.777 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.577 3.244 -7.450 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.018 1.617 -7.784 1.00 0.00 H new ATOM 1154 N GLY A 81 5.454 0.706 -4.850 1.00 0.00 N ATOM 1155 CA GLY A 81 6.325 0.136 -3.824 1.00 0.00 C ATOM 1156 C GLY A 81 6.449 -1.373 -3.993 1.00 0.00 C ATOM 1157 O GLY A 81 5.899 -1.934 -4.943 1.00 0.00 O ATOM 0 H GLY A 81 4.965 -0.002 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.312 0.595 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.926 0.364 -2.835 1.00 0.00 H new ATOM 1161 N ARG A 82 7.197 -2.037 -3.110 1.00 0.00 N ATOM 1162 CA ARG A 82 7.377 -3.493 -3.129 1.00 0.00 C ATOM 1163 C ARG A 82 7.058 -4.052 -1.743 1.00 0.00 C ATOM 1164 O ARG A 82 6.892 -3.260 -0.808 1.00 0.00 O ATOM 1165 CB ARG A 82 8.756 -3.906 -3.657 1.00 0.00 C ATOM 1166 CG ARG A 82 8.977 -3.226 -5.016 1.00 0.00 C ATOM 1167 CD ARG A 82 9.859 -4.004 -5.970 1.00 0.00 C ATOM 1168 NE ARG A 82 11.225 -4.231 -5.479 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.176 -3.356 -5.140 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.042 -2.047 -5.326 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.289 -3.810 -4.587 1.00 0.00 N ATOM 0 H ARG A 82 7.701 -1.576 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 82 6.677 -3.933 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.535 -3.611 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.814 -4.989 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.008 -3.062 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.421 -2.244 -4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.393 -4.968 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.910 -3.469 -6.918 1.00 0.00 H new ATOM 0 HE ARG A 82 11.489 -5.211 -5.382 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.188 -1.676 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.793 -1.413 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.408 -4.810 -4.427 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.028 -3.160 -4.320 1.00 0.00 H new ATOM 1185 N VAL A 83 6.949 -5.372 -1.613 1.00 0.00 N ATOM 1186 CA VAL A 83 6.560 -6.049 -0.367 1.00 0.00 C ATOM 1187 C VAL A 83 7.617 -5.905 0.748 1.00 0.00 C ATOM 1188 O VAL A 83 7.272 -5.770 1.911 1.00 0.00 O ATOM 1189 CB VAL A 83 6.200 -7.510 -0.706 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.119 -8.458 0.495 1.00 0.00 C ATOM 1191 CG2 VAL A 83 4.840 -7.534 -1.418 1.00 0.00 C ATOM 0 H VAL A 83 7.131 -6.018 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 83 5.680 -5.565 0.057 1.00 0.00 H new ATOM 0 HB VAL A 83 7.016 -7.872 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.860 -9.459 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.084 -8.486 1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.355 -8.104 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.575 -8.563 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.079 -7.109 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.899 -6.947 -2.334 1.00 0.00 H new ATOM 1201 N GLU A 84 8.906 -5.897 0.418 1.00 0.00 N ATOM 1202 CA GLU A 84 10.072 -5.936 1.324 1.00 0.00 C ATOM 1203 C GLU A 84 10.202 -7.246 2.103 1.00 0.00 C ATOM 1204 O GLU A 84 11.262 -7.870 2.079 1.00 0.00 O ATOM 1205 CB GLU A 84 10.092 -4.717 2.262 1.00 0.00 C ATOM 1206 CG GLU A 84 11.462 -4.370 2.879 1.00 0.00 C ATOM 1207 CD GLU A 84 11.829 -5.042 4.213 1.00 0.00 C ATOM 1208 OE1 GLU A 84 10.983 -5.173 5.128 1.00 0.00 O ATOM 1209 OE2 GLU A 84 13.039 -5.289 4.424 1.00 0.00 O ATOM 0 H GLU A 84 9.194 -5.861 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 84 10.951 -5.888 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.734 -3.849 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.384 -4.893 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.233 -4.623 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.502 -3.290 3.024 1.00 0.00 H new ATOM 1216 N THR A 85 9.165 -7.671 2.820 1.00 0.00 N ATOM 1217 CA THR A 85 9.129 -8.921 3.568 1.00 0.00 C ATOM 1218 C THR A 85 7.684 -9.410 3.613 1.00 0.00 C ATOM 1219 O THR A 85 6.755 -8.619 3.792 1.00 0.00 O ATOM 1220 CB THR A 85 9.718 -8.681 4.968 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.107 -8.429 4.848 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.566 -9.847 5.950 1.00 0.00 C ATOM 0 H THR A 85 8.300 -7.136 2.898 1.00 0.00 H new ATOM 0 HA THR A 85 9.731 -9.695 3.092 1.00 0.00 H new ATOM 0 HB THR A 85 9.152 -7.841 5.370 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.346 -8.358 3.900 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.013 -9.578 6.907 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.508 -10.067 6.093 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.069 -10.728 5.550 1.00 0.00 H new ATOM 1230 N LEU A 86 7.494 -10.717 3.454 1.00 0.00 N ATOM 1231 CA LEU A 86 6.208 -11.387 3.574 1.00 0.00 C ATOM 1232 C LEU A 86 6.300 -12.335 4.759 1.00 0.00 C ATOM 1233 O LEU A 86 7.391 -12.804 5.087 1.00 0.00 O ATOM 1234 CB LEU A 86 5.893 -12.148 2.280 1.00 0.00 C ATOM 1235 CG LEU A 86 4.382 -12.385 2.105 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.814 -11.298 1.193 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.093 -13.755 1.491 1.00 0.00 C ATOM 0 H LEU A 86 8.257 -11.357 3.231 1.00 0.00 H new ATOM 0 HA LEU A 86 5.403 -10.669 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.273 -11.586 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.412 -13.106 2.287 1.00 0.00 H new ATOM 0 HG LEU A 86 3.914 -12.351 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.744 -11.456 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.984 -10.320 1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.309 -11.342 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.016 -13.886 1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.567 -13.822 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.490 -14.536 2.140 1.00 0.00 H new ATOM 1249 N ARG A 87 5.174 -12.621 5.408 1.00 0.00 N ATOM 1250 CA ARG A 87 5.184 -13.330 6.685 1.00 0.00 C ATOM 1251 C ARG A 87 4.113 -14.397 6.736 1.00 0.00 C ATOM 1252 O ARG A 87 4.428 -15.556 7.001 1.00 0.00 O ATOM 1253 CB ARG A 87 5.073 -12.298 7.811 1.00 0.00 C ATOM 1254 CG ARG A 87 5.478 -12.853 9.171 1.00 0.00 C ATOM 1255 CD ARG A 87 5.114 -11.843 10.262 1.00 0.00 C ATOM 1256 NE ARG A 87 5.431 -12.394 11.582 1.00 0.00 N ATOM 1257 CZ ARG A 87 4.698 -12.247 12.681 1.00 0.00 C ATOM 1258 NH1 ARG A 87 3.805 -11.274 12.761 1.00 0.00 N ATOM 1259 NH2 ARG A 87 4.889 -13.039 13.727 1.00 0.00 N ATOM 0 H ARG A 87 4.244 -12.373 5.071 1.00 0.00 H new ATOM 0 HA ARG A 87 6.122 -13.871 6.810 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.702 -11.440 7.573 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.046 -11.936 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.972 -13.801 9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.549 -13.054 9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.662 -10.914 10.106 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.053 -11.601 10.205 1.00 0.00 H new ATOM 0 HE ARG A 87 6.290 -12.938 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.677 -10.633 11.978 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.244 -11.164 13.606 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.602 -13.767 13.692 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.323 -12.920 14.567 1.00 0.00 H new ATOM 1273 N ASP A 88 2.872 -14.017 6.449 1.00 0.00 N ATOM 1274 CA ASP A 88 1.819 -14.935 6.038 1.00 0.00 C ATOM 1275 C ASP A 88 1.282 -14.393 4.718 1.00 0.00 C ATOM 1276 O ASP A 88 1.636 -13.296 4.287 1.00 0.00 O ATOM 1277 CB ASP A 88 0.701 -15.096 7.090 1.00 0.00 C ATOM 1278 CG ASP A 88 0.963 -16.199 8.131 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.885 -16.076 8.970 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.189 -17.184 8.181 1.00 0.00 O ATOM 0 H ASP A 88 2.566 -13.045 6.497 1.00 0.00 H new ATOM 0 HA ASP A 88 2.222 -15.941 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.568 -14.147 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.236 -15.313 6.577 1.00 0.00 H new ATOM 1285 N ASP A 89 0.375 -15.140 4.105 1.00 0.00 N ATOM 1286 CA ASP A 89 -0.470 -14.695 3.000 1.00 0.00 C ATOM 1287 C ASP A 89 -1.267 -13.434 3.363 1.00 0.00 C ATOM 1288 O ASP A 89 -1.525 -12.602 2.495 1.00 0.00 O ATOM 1289 CB ASP A 89 -1.440 -15.823 2.604 1.00 0.00 C ATOM 1290 CG ASP A 89 -2.434 -16.172 3.710 1.00 0.00 C ATOM 1291 OD1 ASP A 89 -2.012 -16.276 4.882 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -3.644 -16.333 3.434 1.00 0.00 O ATOM 0 H ASP A 89 0.199 -16.109 4.371 1.00 0.00 H new ATOM 0 HA ASP A 89 0.181 -14.449 2.161 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -1.989 -15.525 1.711 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.867 -16.713 2.344 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.626 -13.260 4.641 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.448 -12.135 5.097 1.00 0.00 C ATOM 1299 C ARG A 90 -1.658 -11.055 5.824 1.00 0.00 C ATOM 1300 O ARG A 90 -2.209 -9.978 6.036 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.654 -12.607 5.934 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.392 -13.724 6.949 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.591 -13.858 7.901 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.700 -15.212 8.461 1.00 0.00 N ATOM 1305 CZ ARG A 90 -3.915 -15.803 9.364 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -2.945 -15.158 9.988 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -4.099 -17.087 9.632 1.00 0.00 N ATOM 0 H ARG A 90 -1.353 -13.898 5.389 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.829 -11.668 4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.053 -11.746 6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.432 -12.945 5.249 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.222 -14.667 6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.488 -13.506 7.517 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.492 -13.137 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.508 -13.612 7.366 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.477 -15.774 8.114 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.775 -14.173 9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.366 -15.645 10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.832 -17.608 9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.508 -17.554 10.319 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.398 -11.276 6.203 1.00 0.00 N ATOM 1322 CA GLN A 91 0.390 -10.310 6.951 1.00 0.00 C ATOM 1323 C GLN A 91 1.742 -10.179 6.293 1.00 0.00 C ATOM 1324 O GLN A 91 2.450 -11.172 6.122 1.00 0.00 O ATOM 1325 CB GLN A 91 0.593 -10.742 8.393 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.724 -10.861 9.157 1.00 0.00 C ATOM 1327 CD GLN A 91 -0.525 -11.014 10.662 1.00 0.00 C ATOM 1328 OE1 GLN A 91 -0.887 -12.031 11.245 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.035 -10.031 11.338 1.00 0.00 N ATOM 0 H GLN A 91 0.103 -12.140 5.995 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.146 -9.361 6.952 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.109 -11.702 8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.239 -10.023 8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.332 -9.977 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.281 -11.719 8.780 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.336 -9.185 10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 91 0.167 -10.116 12.346 1.00 0.00 H new ATOM 1338 N PHE A 92 2.075 -8.952 5.937 1.00 0.00 N ATOM 1339 CA PHE A 92 3.302 -8.629 5.226 1.00 0.00 C ATOM 1340 C PHE A 92 3.609 -7.138 5.342 1.00 0.00 C ATOM 1341 O PHE A 92 2.754 -6.355 5.783 1.00 0.00 O ATOM 1342 CB PHE A 92 3.170 -9.092 3.772 1.00 0.00 C ATOM 1343 CG PHE A 92 1.877 -8.708 3.079 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.742 -7.424 2.532 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.813 -9.627 2.978 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.544 -7.040 1.918 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.393 -9.241 2.367 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.531 -7.944 1.843 1.00 0.00 C ATOM 0 H PHE A 92 1.493 -8.138 6.136 1.00 0.00 H new ATOM 0 HA PHE A 92 4.147 -9.153 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.003 -8.682 3.201 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.268 -10.177 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.566 -6.728 2.585 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.924 -10.627 3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.445 -6.049 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.213 -9.941 2.300 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.461 -7.642 1.384 1.00 0.00 H new ATOM 1358 N ALA A 93 4.840 -6.773 4.980 1.00 0.00 N ATOM 1359 CA ALA A 93 5.333 -5.409 4.985 1.00 0.00 C ATOM 1360 C ALA A 93 5.083 -4.750 3.622 1.00 0.00 C ATOM 1361 O ALA A 93 4.567 -5.377 2.699 1.00 0.00 O ATOM 1362 CB ALA A 93 6.828 -5.394 5.341 1.00 0.00 C ATOM 0 H ALA A 93 5.539 -7.447 4.666 1.00 0.00 H new ATOM 0 HA ALA A 93 4.795 -4.836 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.191 -4.366 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.971 -5.831 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.383 -5.974 4.604 1.00 0.00 H new ATOM 1368 N ILE A 94 5.483 -3.486 3.482 1.00 0.00 N ATOM 1369 CA ILE A 94 5.639 -2.784 2.213 1.00 0.00 C ATOM 1370 C ILE A 94 6.682 -1.677 2.390 1.00 0.00 C ATOM 1371 O ILE A 94 6.590 -0.900 3.337 1.00 0.00 O ATOM 1372 CB ILE A 94 4.301 -2.165 1.729 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.392 -1.656 2.867 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.557 -3.112 0.772 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.229 -0.786 2.376 1.00 0.00 C ATOM 0 H ILE A 94 5.716 -2.901 4.285 1.00 0.00 H new ATOM 0 HA ILE A 94 5.962 -3.501 1.458 1.00 0.00 H new ATOM 0 HB ILE A 94 4.576 -1.270 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.991 -2.511 3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.993 -1.082 3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.624 -2.647 0.452 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.180 -3.312 -0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.339 -4.049 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.631 -0.463 3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.622 0.088 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.605 -1.364 1.694 1.00 0.00 H new ATOM 1387 N ARG A 95 7.633 -1.551 1.456 1.00 0.00 N ATOM 1388 CA ARG A 95 8.639 -0.479 1.404 1.00 0.00 C ATOM 1389 C ARG A 95 8.280 0.434 0.246 1.00 0.00 C ATOM 1390 O ARG A 95 8.343 0.021 -0.919 1.00 0.00 O ATOM 1391 CB ARG A 95 10.044 -1.102 1.330 1.00 0.00 C ATOM 1392 CG ARG A 95 11.300 -0.241 1.568 1.00 0.00 C ATOM 1393 CD ARG A 95 11.465 1.025 0.729 1.00 0.00 C ATOM 1394 NE ARG A 95 12.864 1.506 0.755 1.00 0.00 N ATOM 1395 CZ ARG A 95 13.345 2.562 0.083 1.00 0.00 C ATOM 1396 NH1 ARG A 95 12.519 3.373 -0.562 1.00 0.00 N ATOM 1397 NH2 ARG A 95 14.646 2.826 0.047 1.00 0.00 N ATOM 0 H ARG A 95 7.728 -2.215 0.688 1.00 0.00 H new ATOM 0 HA ARG A 95 8.647 0.138 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.072 -1.917 2.053 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.145 -1.550 0.341 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.313 0.049 2.619 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.174 -0.870 1.400 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.166 0.824 -0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.803 1.804 1.107 1.00 0.00 H new ATOM 0 HE ARG A 95 13.522 0.987 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.515 3.195 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.887 4.176 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.303 2.219 0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.988 3.635 -0.471 1.00 0.00 H new ATOM 1411 N LEU A 96 7.870 1.656 0.577 1.00 0.00 N ATOM 1412 CA LEU A 96 7.461 2.687 -0.363 1.00 0.00 C ATOM 1413 C LEU A 96 8.708 3.185 -1.067 1.00 0.00 C ATOM 1414 O LEU A 96 9.761 3.282 -0.434 1.00 0.00 O ATOM 1415 CB LEU A 96 6.808 3.868 0.378 1.00 0.00 C ATOM 1416 CG LEU A 96 5.740 3.492 1.423 1.00 0.00 C ATOM 1417 CD1 LEU A 96 5.200 4.776 2.049 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.579 2.690 0.846 1.00 0.00 C ATOM 0 H LEU A 96 7.813 1.964 1.548 1.00 0.00 H new ATOM 0 HA LEU A 96 6.739 2.276 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.592 4.439 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.352 4.528 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 96 6.223 2.853 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.442 4.528 2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.015 5.317 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.757 5.401 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.866 2.461 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.084 3.274 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.956 1.762 0.417 1.00 0.00 H new ATOM 1430 N VAL A 97 8.621 3.535 -2.345 1.00 0.00 N ATOM 1431 CA VAL A 97 9.767 4.022 -3.098 1.00 0.00 C ATOM 1432 C VAL A 97 9.432 5.331 -3.792 1.00 0.00 C ATOM 1433 O VAL A 97 8.279 5.622 -4.101 1.00 0.00 O ATOM 1434 CB VAL A 97 10.292 2.948 -4.063 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.838 1.744 -3.284 1.00 0.00 C ATOM 1436 CG2 VAL A 97 9.258 2.484 -5.092 1.00 0.00 C ATOM 0 H VAL A 97 7.757 3.489 -2.885 1.00 0.00 H new ATOM 0 HA VAL A 97 10.581 4.232 -2.405 1.00 0.00 H new ATOM 0 HB VAL A 97 11.096 3.421 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 97 11.205 0.994 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.654 2.068 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 97 10.043 1.314 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.702 1.726 -5.737 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.396 2.062 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.939 3.333 -5.696 1.00 0.00 H new ATOM 1446 N GLY A 98 10.474 6.118 -4.028 1.00 0.00 N ATOM 1447 CA GLY A 98 10.412 7.512 -4.367 1.00 0.00 C ATOM 1448 C GLY A 98 9.624 8.247 -3.300 1.00 0.00 C ATOM 1449 O GLY A 98 10.111 8.433 -2.186 1.00 0.00 O ATOM 0 H GLY A 98 11.432 5.770 -3.983 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.418 7.926 -4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.939 7.642 -5.340 1.00 0.00 H new ATOM 1453 N ARG A 99 8.406 8.649 -3.630 1.00 0.00 N ATOM 1454 CA ARG A 99 7.591 9.587 -2.868 1.00 0.00 C ATOM 1455 C ARG A 99 6.115 9.461 -3.251 1.00 0.00 C ATOM 1456 O ARG A 99 5.791 8.829 -4.260 1.00 0.00 O ATOM 1457 CB ARG A 99 8.138 11.011 -3.081 1.00 0.00 C ATOM 1458 CG ARG A 99 7.886 11.702 -4.425 1.00 0.00 C ATOM 1459 CD ARG A 99 8.296 10.902 -5.661 1.00 0.00 C ATOM 1460 NE ARG A 99 8.719 11.765 -6.776 1.00 0.00 N ATOM 1461 CZ ARG A 99 7.983 12.191 -7.807 1.00 0.00 C ATOM 1462 NH1 ARG A 99 6.690 11.920 -7.901 1.00 0.00 N ATOM 1463 NH2 ARG A 99 8.564 12.885 -8.779 1.00 0.00 N ATOM 0 H ARG A 99 7.937 8.317 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 99 7.650 9.355 -1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.721 11.646 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.216 10.978 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.824 11.936 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.423 12.651 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 99 9.111 10.227 -5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.459 10.282 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 99 9.691 12.075 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.230 11.372 -7.174 1.00 0.00 H new ATOM 0 HH12 ARG A 99 6.155 12.259 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 99 9.563 13.088 -8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.012 13.215 -9.570 1.00 0.00 H new ATOM 1477 N VAL A 100 5.218 10.085 -2.492 1.00 0.00 N ATOM 1478 CA VAL A 100 3.780 10.093 -2.763 1.00 0.00 C ATOM 1479 C VAL A 100 3.413 11.340 -3.585 1.00 0.00 C ATOM 1480 O VAL A 100 4.079 12.380 -3.498 1.00 0.00 O ATOM 1481 CB VAL A 100 3.026 10.065 -1.413 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.505 10.208 -1.559 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.265 8.766 -0.631 1.00 0.00 C ATOM 0 H VAL A 100 5.473 10.610 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 100 3.495 9.217 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 100 3.432 10.923 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.041 10.180 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.274 11.157 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.119 9.389 -2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.713 8.800 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.923 7.917 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.329 8.658 -0.422 1.00 0.00 H new ATOM 1493 N ARG A 101 2.297 11.264 -4.315 1.00 0.00 N ATOM 1494 CA ARG A 101 1.436 12.403 -4.646 1.00 0.00 C ATOM 1495 C ARG A 101 -0.036 11.979 -4.629 1.00 0.00 C ATOM 1496 O ARG A 101 -0.347 10.788 -4.774 1.00 0.00 O ATOM 1497 CB ARG A 101 1.790 12.987 -6.028 1.00 0.00 C ATOM 1498 CG ARG A 101 1.929 11.928 -7.143 1.00 0.00 C ATOM 1499 CD ARG A 101 1.543 12.408 -8.548 1.00 0.00 C ATOM 1500 NE ARG A 101 2.142 13.708 -8.888 1.00 0.00 N ATOM 1501 CZ ARG A 101 1.493 14.849 -9.160 1.00 0.00 C ATOM 1502 NH1 ARG A 101 0.181 14.945 -8.976 1.00 0.00 N ATOM 1503 NH2 ARG A 101 2.174 15.883 -9.636 1.00 0.00 N ATOM 0 H ARG A 101 1.958 10.384 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 101 1.600 13.174 -3.893 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.020 13.703 -6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.726 13.540 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.962 11.580 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.309 11.069 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.858 11.665 -9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.458 12.484 -8.616 1.00 0.00 H new ATOM 0 HE ARG A 101 3.161 13.745 -8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -0.344 14.145 -8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.301 15.819 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 101 3.179 15.804 -9.791 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.693 16.757 -9.847 1.00 0.00 H new