USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 616 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 64 MET CE :methyl -147:sc= -0.663 (180deg=-3.49!) USER MOD Set 1.2: A 65 GLN : amide:sc= -2.87! X(o=-3.5!,f=-3.8) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -43:sc= -0.43 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -168:sc= 1.23 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.453 X(o=-0.45,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.0106 K(o=0.011,f=-1.6) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc=-3.58e-05 X(o=-3.6e-05,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -0.362 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.33 F(o=-2.2,f=-1.3) USER MOD Single : A 39 ASN : amide:sc= 0.464 K(o=0.46,f=-0.048) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -159:sc= 1.14 (180deg=0.834) USER MOD Single : A 54 MET CE :methyl -150:sc= -1.52 (180deg=-4.9!) USER MOD Single : A 56 SER OG : rot 84:sc= 0.478 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0452 X(o=-0.045,f=0) USER MOD Single : A 74 CYS SG : rot 63:sc= -0.0705 USER MOD Single : A 77 MET CE :methyl 165:sc= -2.37 (180deg=-3.4) USER MOD Single : A 80 ASN : amide:sc= 0.748 K(o=0.75,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -2.331 -9.464 5.304 1.00 0.00 N ATOM 99 CA VAL A 8 -3.465 -8.561 5.186 1.00 0.00 C ATOM 100 C VAL A 8 -4.197 -8.467 6.523 1.00 0.00 C ATOM 101 O VAL A 8 -5.303 -8.971 6.710 1.00 0.00 O ATOM 102 CB VAL A 8 -4.327 -8.964 3.972 1.00 0.00 C ATOM 103 CG1 VAL A 8 -3.544 -8.691 2.681 1.00 0.00 C ATOM 104 CG2 VAL A 8 -4.767 -10.440 3.993 1.00 0.00 C ATOM 0 HA VAL A 8 -3.144 -7.541 4.975 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.235 -8.363 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.150 -8.975 1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.302 -7.630 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.623 -9.274 2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.369 -10.653 3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.886 -11.082 3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.357 -10.631 4.889 1.00 0.00 H new ATOM 114 N LYS A 9 -3.554 -7.798 7.483 1.00 0.00 N ATOM 115 CA LYS A 9 -4.026 -7.661 8.856 1.00 0.00 C ATOM 116 C LYS A 9 -4.164 -6.206 9.315 1.00 0.00 C ATOM 117 O LYS A 9 -4.251 -5.944 10.515 1.00 0.00 O ATOM 118 CB LYS A 9 -3.227 -8.564 9.780 1.00 0.00 C ATOM 119 CG LYS A 9 -1.698 -8.453 9.685 1.00 0.00 C ATOM 120 CD LYS A 9 -1.143 -9.863 9.477 1.00 0.00 C ATOM 121 CE LYS A 9 0.314 -9.918 9.966 1.00 0.00 C ATOM 122 NZ LYS A 9 0.982 -11.215 9.767 1.00 0.00 N ATOM 0 H LYS A 9 -2.666 -7.325 7.318 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.056 -8.015 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.522 -8.350 10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.508 -9.597 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.412 -7.803 8.858 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.289 -8.011 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.748 -10.588 10.022 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.194 -10.134 8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.886 -9.147 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.336 -9.673 11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.957 -11.162 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.464 -11.955 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.997 -11.446 8.753 1.00 0.00 H new ATOM 136 N CYS A 10 -4.199 -5.254 8.374 1.00 0.00 N ATOM 137 CA CYS A 10 -4.138 -3.810 8.608 1.00 0.00 C ATOM 138 C CYS A 10 -2.928 -3.462 9.483 1.00 0.00 C ATOM 139 O CYS A 10 -3.004 -3.417 10.716 1.00 0.00 O ATOM 140 CB CYS A 10 -5.499 -3.275 9.092 1.00 0.00 C ATOM 141 SG CYS A 10 -5.403 -1.644 9.887 1.00 0.00 S ATOM 0 H CYS A 10 -4.274 -5.483 7.383 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.963 -3.279 7.673 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.179 -3.215 8.242 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.930 -3.987 9.796 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.376 -1.609 10.683 1.00 0.00 H new ATOM 147 N THR A 11 -1.806 -3.233 8.815 1.00 0.00 N ATOM 148 CA THR A 11 -0.653 -2.534 9.337 1.00 0.00 C ATOM 149 C THR A 11 -0.786 -1.087 8.829 1.00 0.00 C ATOM 150 O THR A 11 -1.398 -0.869 7.783 1.00 0.00 O ATOM 151 CB THR A 11 0.608 -3.298 8.881 1.00 0.00 C ATOM 152 OG1 THR A 11 1.715 -2.759 9.558 1.00 0.00 O ATOM 153 CG2 THR A 11 0.822 -3.325 7.358 1.00 0.00 C ATOM 0 H THR A 11 -1.675 -3.545 7.853 1.00 0.00 H new ATOM 0 HA THR A 11 -0.579 -2.492 10.424 1.00 0.00 H new ATOM 0 HB THR A 11 0.474 -4.348 9.141 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.528 -3.232 9.284 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.730 -3.882 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.030 -3.807 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.918 -2.305 6.986 1.00 0.00 H new ATOM 161 N SER A 12 -0.264 -0.130 9.598 1.00 0.00 N ATOM 162 CA SER A 12 -0.251 1.314 9.398 1.00 0.00 C ATOM 163 C SER A 12 -1.593 1.886 8.929 1.00 0.00 C ATOM 164 O SER A 12 -1.905 1.917 7.740 1.00 0.00 O ATOM 165 CB SER A 12 0.924 1.755 8.513 1.00 0.00 C ATOM 166 OG SER A 12 2.164 1.446 9.124 1.00 0.00 O ATOM 0 H SER A 12 0.209 -0.378 10.467 1.00 0.00 H new ATOM 0 HA SER A 12 -0.093 1.751 10.384 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.859 1.261 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.863 2.828 8.329 1.00 0.00 H new ATOM 0 HG SER A 12 2.887 1.905 8.647 1.00 0.00 H new ATOM 172 N VAL A 13 -2.391 2.448 9.841 1.00 0.00 N ATOM 173 CA VAL A 13 -3.610 3.171 9.445 1.00 0.00 C ATOM 174 C VAL A 13 -3.369 4.305 8.442 1.00 0.00 C ATOM 175 O VAL A 13 -4.327 4.697 7.778 1.00 0.00 O ATOM 176 CB VAL A 13 -4.383 3.717 10.654 1.00 0.00 C ATOM 177 CG1 VAL A 13 -5.173 2.603 11.339 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.457 4.452 11.623 1.00 0.00 C ATOM 0 H VAL A 13 -2.221 2.419 10.846 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.213 2.415 8.942 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.104 4.452 10.295 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.713 3.012 12.193 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.883 2.173 10.633 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.487 1.828 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.036 4.826 12.467 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.690 3.767 11.984 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.983 5.289 11.110 1.00 0.00 H new ATOM 188 N VAL A 14 -2.128 4.777 8.274 1.00 0.00 N ATOM 189 CA VAL A 14 -1.738 5.757 7.269 1.00 0.00 C ATOM 190 C VAL A 14 -2.374 5.390 5.925 1.00 0.00 C ATOM 191 O VAL A 14 -2.964 6.264 5.292 1.00 0.00 O ATOM 192 CB VAL A 14 -0.198 5.828 7.165 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.247 6.936 6.199 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.469 6.074 8.524 1.00 0.00 C ATOM 0 H VAL A 14 -1.347 4.474 8.856 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.096 6.745 7.560 1.00 0.00 H new ATOM 0 HB VAL A 14 0.118 4.856 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.336 6.959 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.158 6.738 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.120 7.898 6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.551 6.115 8.396 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.116 7.019 8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.215 5.263 9.206 1.00 0.00 H new ATOM 204 N LEU A 15 -2.319 4.114 5.519 1.00 0.00 N ATOM 205 CA LEU A 15 -2.874 3.663 4.245 1.00 0.00 C ATOM 206 C LEU A 15 -4.355 3.347 4.345 1.00 0.00 C ATOM 207 O LEU A 15 -5.094 3.626 3.399 1.00 0.00 O ATOM 208 CB LEU A 15 -2.159 2.435 3.655 1.00 0.00 C ATOM 209 CG LEU A 15 -1.700 1.335 4.620 1.00 0.00 C ATOM 210 CD1 LEU A 15 -1.704 -0.058 3.986 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.290 1.652 5.100 1.00 0.00 C ATOM 0 H LEU A 15 -1.888 3.370 6.067 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.715 4.507 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.827 1.980 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.283 2.788 3.111 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.409 1.318 5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.370 -0.792 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.714 -0.306 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.032 -0.069 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.044 0.874 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.384 1.695 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.288 2.614 5.612 1.00 0.00 H new ATOM 223 N LEU A 16 -4.805 2.722 5.433 1.00 0.00 N ATOM 224 CA LEU A 16 -6.202 2.307 5.553 1.00 0.00 C ATOM 225 C LEU A 16 -7.147 3.499 5.623 1.00 0.00 C ATOM 226 O LEU A 16 -8.287 3.418 5.159 1.00 0.00 O ATOM 227 CB LEU A 16 -6.395 1.439 6.800 1.00 0.00 C ATOM 228 CG LEU A 16 -6.002 -0.040 6.668 1.00 0.00 C ATOM 229 CD1 LEU A 16 -6.636 -0.665 5.427 1.00 0.00 C ATOM 230 CD2 LEU A 16 -4.492 -0.278 6.640 1.00 0.00 C ATOM 0 H LEU A 16 -4.225 2.493 6.240 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.442 1.732 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.816 1.876 7.614 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.444 1.489 7.093 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.385 -0.521 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.342 -1.712 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.721 -0.597 5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.297 -0.133 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.294 -1.346 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.056 0.249 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.048 0.093 7.564 1.00 0.00 H new ATOM 242 N SER A 17 -6.676 4.599 6.193 1.00 0.00 N ATOM 243 CA SER A 17 -7.348 5.886 6.234 1.00 0.00 C ATOM 244 C SER A 17 -7.709 6.320 4.810 1.00 0.00 C ATOM 245 O SER A 17 -8.840 6.723 4.554 1.00 0.00 O ATOM 246 CB SER A 17 -6.431 6.860 6.984 1.00 0.00 C ATOM 247 OG SER A 17 -7.090 8.060 7.340 1.00 0.00 O ATOM 0 H SER A 17 -5.770 4.617 6.662 1.00 0.00 H new ATOM 0 HA SER A 17 -8.295 5.849 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.052 6.377 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.568 7.094 6.361 1.00 0.00 H new ATOM 0 HG SER A 17 -6.466 8.647 7.816 1.00 0.00 H new ATOM 253 N VAL A 18 -6.801 6.139 3.852 1.00 0.00 N ATOM 254 CA VAL A 18 -7.016 6.505 2.456 1.00 0.00 C ATOM 255 C VAL A 18 -8.096 5.641 1.789 1.00 0.00 C ATOM 256 O VAL A 18 -8.603 6.013 0.735 1.00 0.00 O ATOM 257 CB VAL A 18 -5.689 6.393 1.682 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.737 7.180 0.378 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.464 6.856 2.473 1.00 0.00 C ATOM 0 H VAL A 18 -5.884 5.729 4.028 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.371 7.535 2.433 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.579 5.326 1.486 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.785 7.079 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.538 6.792 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.923 8.232 0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.571 6.745 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.585 7.903 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.362 6.250 3.373 1.00 0.00 H new ATOM 269 N LEU A 19 -8.473 4.491 2.358 1.00 0.00 N ATOM 270 CA LEU A 19 -9.506 3.643 1.772 1.00 0.00 C ATOM 271 C LEU A 19 -10.848 3.939 2.429 1.00 0.00 C ATOM 272 O LEU A 19 -11.846 4.136 1.729 1.00 0.00 O ATOM 273 CB LEU A 19 -9.140 2.156 1.885 1.00 0.00 C ATOM 274 CG LEU A 19 -7.774 1.773 1.309 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.580 0.257 1.400 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.574 2.231 -0.139 1.00 0.00 C ATOM 0 H LEU A 19 -8.075 4.129 3.225 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.582 3.869 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.165 1.871 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.907 1.570 1.378 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.027 2.292 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.607 -0.011 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.631 -0.054 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.364 -0.245 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.586 1.927 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.335 1.776 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.659 3.316 -0.192 1.00 0.00 H new ATOM 288 N GLN A 20 -10.863 3.977 3.764 1.00 0.00 N ATOM 289 CA GLN A 20 -12.051 4.283 4.557 1.00 0.00 C ATOM 290 C GLN A 20 -12.470 5.745 4.404 1.00 0.00 C ATOM 291 O GLN A 20 -13.601 6.073 4.743 1.00 0.00 O ATOM 292 CB GLN A 20 -11.814 3.903 6.026 1.00 0.00 C ATOM 293 CG GLN A 20 -10.921 4.866 6.800 1.00 0.00 C ATOM 294 CD GLN A 20 -10.434 4.226 8.094 1.00 0.00 C ATOM 295 OE1 GLN A 20 -10.975 4.460 9.174 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.435 3.361 8.000 1.00 0.00 N ATOM 0 H GLN A 20 -10.035 3.793 4.331 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.881 3.685 4.182 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.778 3.839 6.530 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.369 2.909 6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.067 5.152 6.186 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.472 5.779 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.000 3.181 7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.101 2.875 8.832 1.00 0.00 H new ATOM 305 N GLN A 21 -11.603 6.605 3.852 1.00 0.00 N ATOM 306 CA GLN A 21 -11.947 7.936 3.366 1.00 0.00 C ATOM 307 C GLN A 21 -13.157 7.876 2.441 1.00 0.00 C ATOM 308 O GLN A 21 -13.919 8.836 2.386 1.00 0.00 O ATOM 309 CB GLN A 21 -10.759 8.539 2.574 1.00 0.00 C ATOM 310 CG GLN A 21 -10.052 9.650 3.345 1.00 0.00 C ATOM 311 CD GLN A 21 -8.815 10.242 2.643 1.00 0.00 C ATOM 312 OE1 GLN A 21 -8.509 10.034 1.462 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.062 11.019 3.400 1.00 0.00 N ATOM 0 H GLN A 21 -10.615 6.381 3.731 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.177 8.557 4.232 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.044 7.750 2.340 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.121 8.933 1.624 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.765 10.453 3.531 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.749 9.261 4.317 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.319 11.187 4.373 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.223 11.451 3.012 1.00 0.00 H new ATOM 322 N LEU A 22 -13.296 6.799 1.662 1.00 0.00 N ATOM 323 CA LEU A 22 -14.176 6.798 0.511 1.00 0.00 C ATOM 324 C LEU A 22 -15.360 5.892 0.808 1.00 0.00 C ATOM 325 O LEU A 22 -16.378 6.377 1.294 1.00 0.00 O ATOM 326 CB LEU A 22 -13.415 6.429 -0.781 1.00 0.00 C ATOM 327 CG LEU A 22 -12.312 7.412 -1.230 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.742 8.871 -1.246 1.00 0.00 C ATOM 329 CD2 LEU A 22 -10.981 7.208 -0.505 1.00 0.00 C ATOM 0 H LEU A 22 -12.805 5.919 1.816 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.562 7.801 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.963 5.447 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.140 6.335 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.137 7.150 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.908 9.492 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.579 8.996 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.047 9.171 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.253 7.932 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.125 7.347 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.615 6.199 -0.694 1.00 0.00 H new ATOM 341 N ARG A 23 -15.247 4.582 0.569 1.00 0.00 N ATOM 342 CA ARG A 23 -16.349 3.625 0.738 1.00 0.00 C ATOM 343 C ARG A 23 -15.875 2.173 0.682 1.00 0.00 C ATOM 344 O ARG A 23 -16.688 1.286 0.428 1.00 0.00 O ATOM 345 CB ARG A 23 -17.473 3.884 -0.304 1.00 0.00 C ATOM 346 CG ARG A 23 -17.276 3.358 -1.739 1.00 0.00 C ATOM 347 CD ARG A 23 -15.940 3.784 -2.347 1.00 0.00 C ATOM 348 NE ARG A 23 -15.998 4.011 -3.801 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.621 5.025 -4.422 1.00 0.00 C ATOM 350 NH1 ARG A 23 -17.474 5.818 -3.784 1.00 0.00 N ATOM 351 NH2 ARG A 23 -16.377 5.258 -5.704 1.00 0.00 N ATOM 0 H ARG A 23 -14.380 4.150 0.250 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.758 3.785 1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.394 3.450 0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.629 4.961 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.337 2.270 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.089 3.720 -2.369 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.603 4.698 -1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.194 3.017 -2.137 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.519 3.333 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.671 5.664 -2.795 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.932 6.581 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.719 4.668 -6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.847 6.027 -6.181 1.00 0.00 H new ATOM 365 N VAL A 24 -14.564 1.930 0.817 1.00 0.00 N ATOM 366 CA VAL A 24 -13.951 0.621 0.619 1.00 0.00 C ATOM 367 C VAL A 24 -14.766 -0.448 1.352 1.00 0.00 C ATOM 368 O VAL A 24 -15.234 -0.237 2.474 1.00 0.00 O ATOM 369 CB VAL A 24 -12.471 0.646 1.074 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.401 0.893 2.583 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.725 -0.645 0.698 1.00 0.00 C ATOM 0 H VAL A 24 -13.893 2.655 1.072 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.955 0.370 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.972 1.461 0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.359 0.910 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.868 1.850 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.927 0.095 3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.691 -0.580 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.210 -1.497 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.744 -0.774 -0.384 1.00 0.00 H new ATOM 381 N GLU A 25 -14.903 -1.605 0.727 1.00 0.00 N ATOM 382 CA GLU A 25 -15.492 -2.784 1.333 1.00 0.00 C ATOM 383 C GLU A 25 -14.300 -3.641 1.733 1.00 0.00 C ATOM 384 O GLU A 25 -13.465 -3.918 0.868 1.00 0.00 O ATOM 385 CB GLU A 25 -16.394 -3.503 0.316 1.00 0.00 C ATOM 386 CG GLU A 25 -17.362 -2.548 -0.396 1.00 0.00 C ATOM 387 CD GLU A 25 -18.248 -3.296 -1.394 1.00 0.00 C ATOM 388 OE1 GLU A 25 -17.726 -3.752 -2.441 1.00 0.00 O ATOM 389 OE2 GLU A 25 -19.472 -3.433 -1.169 1.00 0.00 O ATOM 0 H GLU A 25 -14.601 -1.753 -0.236 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.125 -2.555 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.771 -4.003 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.965 -4.278 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.987 -2.044 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.797 -1.775 -0.917 1.00 0.00 H new ATOM 396 N SER A 26 -14.191 -4.059 2.997 1.00 0.00 N ATOM 397 CA SER A 26 -13.163 -5.019 3.393 1.00 0.00 C ATOM 398 C SER A 26 -13.303 -6.327 2.606 1.00 0.00 C ATOM 399 O SER A 26 -12.313 -7.007 2.350 1.00 0.00 O ATOM 400 CB SER A 26 -13.207 -5.266 4.905 1.00 0.00 C ATOM 401 OG SER A 26 -14.514 -5.506 5.410 1.00 0.00 O ATOM 0 H SER A 26 -14.798 -3.750 3.756 1.00 0.00 H new ATOM 0 HA SER A 26 -12.188 -4.596 3.154 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.573 -6.121 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.783 -4.402 5.417 1.00 0.00 H new ATOM 0 HG SER A 26 -14.468 -5.657 6.377 1.00 0.00 H new ATOM 407 N SER A 27 -14.531 -6.664 2.200 1.00 0.00 N ATOM 408 CA SER A 27 -14.824 -7.805 1.350 1.00 0.00 C ATOM 409 C SER A 27 -14.149 -7.660 -0.017 1.00 0.00 C ATOM 410 O SER A 27 -13.840 -8.663 -0.659 1.00 0.00 O ATOM 411 CB SER A 27 -16.340 -7.912 1.142 1.00 0.00 C ATOM 412 OG SER A 27 -17.070 -7.936 2.360 1.00 0.00 O ATOM 0 H SER A 27 -15.362 -6.135 2.463 1.00 0.00 H new ATOM 0 HA SER A 27 -14.442 -8.701 1.840 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.678 -7.069 0.539 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.560 -8.817 0.576 1.00 0.00 H new ATOM 0 HG SER A 27 -18.028 -8.003 2.166 1.00 0.00 H new ATOM 418 N SER A 28 -13.972 -6.434 -0.515 1.00 0.00 N ATOM 419 CA SER A 28 -13.342 -6.236 -1.801 1.00 0.00 C ATOM 420 C SER A 28 -11.880 -6.618 -1.639 1.00 0.00 C ATOM 421 O SER A 28 -11.242 -6.151 -0.692 1.00 0.00 O ATOM 422 CB SER A 28 -13.461 -4.769 -2.230 1.00 0.00 C ATOM 423 OG SER A 28 -13.486 -4.652 -3.640 1.00 0.00 O ATOM 0 H SER A 28 -14.257 -5.576 -0.043 1.00 0.00 H new ATOM 0 HA SER A 28 -13.822 -6.844 -2.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.369 -4.336 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.622 -4.200 -1.829 1.00 0.00 H new ATOM 0 HG SER A 28 -13.564 -3.707 -3.889 1.00 0.00 H new ATOM 429 N LYS A 29 -11.307 -7.323 -2.627 1.00 0.00 N ATOM 430 CA LYS A 29 -9.852 -7.543 -2.688 1.00 0.00 C ATOM 431 C LYS A 29 -9.075 -6.235 -2.541 1.00 0.00 C ATOM 432 O LYS A 29 -7.903 -6.211 -2.203 1.00 0.00 O ATOM 433 CB LYS A 29 -9.441 -8.318 -3.958 1.00 0.00 C ATOM 434 CG LYS A 29 -8.986 -7.461 -5.150 1.00 0.00 C ATOM 435 CD LYS A 29 -10.108 -6.707 -5.868 1.00 0.00 C ATOM 436 CE LYS A 29 -9.475 -5.402 -6.354 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.870 -5.042 -7.723 1.00 0.00 N ATOM 0 H LYS A 29 -11.827 -7.750 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.587 -8.169 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.633 -9.002 -3.697 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.285 -8.929 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.249 -6.738 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.482 -8.105 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.500 -7.288 -6.703 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.943 -6.512 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.756 -4.595 -5.677 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.390 -5.493 -6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.409 -4.150 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.578 -5.795 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.903 -4.926 -7.767 1.00 0.00 H new ATOM 451 N LEU A 30 -9.727 -5.129 -2.874 1.00 0.00 N ATOM 452 CA LEU A 30 -9.206 -3.787 -2.865 1.00 0.00 C ATOM 453 C LEU A 30 -8.596 -3.402 -1.515 1.00 0.00 C ATOM 454 O LEU A 30 -7.532 -2.789 -1.488 1.00 0.00 O ATOM 455 CB LEU A 30 -10.364 -2.878 -3.294 1.00 0.00 C ATOM 456 CG LEU A 30 -9.956 -1.516 -3.854 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.459 -0.571 -2.759 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.927 -1.663 -4.979 1.00 0.00 C ATOM 0 H LEU A 30 -10.700 -5.158 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.371 -3.685 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.953 -3.400 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.015 -2.718 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.851 -1.063 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.180 0.385 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.251 -0.414 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.591 -1.010 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.657 -0.677 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.037 -2.161 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.354 -2.256 -5.787 1.00 0.00 H new ATOM 470 N TRP A 31 -9.233 -3.770 -0.403 1.00 0.00 N ATOM 471 CA TRP A 31 -8.662 -3.572 0.925 1.00 0.00 C ATOM 472 C TRP A 31 -7.284 -4.240 1.004 1.00 0.00 C ATOM 473 O TRP A 31 -6.271 -3.587 1.274 1.00 0.00 O ATOM 474 CB TRP A 31 -9.646 -4.104 1.976 1.00 0.00 C ATOM 475 CG TRP A 31 -9.197 -3.990 3.401 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.330 -2.898 4.184 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.560 -4.996 4.243 1.00 0.00 C ATOM 478 NE1 TRP A 31 -8.827 -3.154 5.443 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.323 -4.429 5.530 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.180 -6.342 4.068 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -7.735 -5.155 6.575 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -7.586 -7.077 5.110 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.357 -6.488 6.362 1.00 0.00 C ATOM 0 H TRP A 31 -10.153 -4.211 -0.399 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.507 -2.512 1.126 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.590 -3.569 1.867 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.848 -5.153 1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.766 -1.961 3.871 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.829 -2.483 6.211 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.348 -6.819 3.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.574 -4.691 7.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.303 -8.106 4.944 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.894 -7.056 7.155 1.00 0.00 H new ATOM 494 N ALA A 32 -7.254 -5.536 0.704 1.00 0.00 N ATOM 495 CA ALA A 32 -6.066 -6.368 0.764 1.00 0.00 C ATOM 496 C ALA A 32 -4.976 -5.881 -0.188 1.00 0.00 C ATOM 497 O ALA A 32 -3.811 -5.880 0.204 1.00 0.00 O ATOM 498 CB ALA A 32 -6.459 -7.799 0.428 1.00 0.00 C ATOM 0 H ALA A 32 -8.084 -6.047 0.404 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.653 -6.313 1.771 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.577 -8.438 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.196 -8.153 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.886 -7.833 -0.574 1.00 0.00 H new ATOM 504 N GLN A 33 -5.342 -5.435 -1.398 1.00 0.00 N ATOM 505 CA GLN A 33 -4.432 -4.935 -2.429 1.00 0.00 C ATOM 506 C GLN A 33 -3.480 -3.885 -1.871 1.00 0.00 C ATOM 507 O GLN A 33 -2.332 -3.792 -2.308 1.00 0.00 O ATOM 508 CB GLN A 33 -5.201 -4.255 -3.570 1.00 0.00 C ATOM 509 CG GLN A 33 -5.901 -5.206 -4.538 1.00 0.00 C ATOM 510 CD GLN A 33 -5.189 -5.378 -5.866 1.00 0.00 C ATOM 511 OE1 GLN A 33 -4.732 -6.463 -6.213 1.00 0.00 O ATOM 512 NE2 GLN A 33 -5.136 -4.330 -6.659 1.00 0.00 N ATOM 0 H GLN A 33 -6.318 -5.413 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.884 -5.805 -2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.947 -3.588 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.507 -3.633 -4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.000 -6.182 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.910 -4.838 -4.725 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.522 -3.437 -6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.709 -4.410 -7.582 1.00 0.00 H new ATOM 521 N CYS A 34 -3.978 -3.064 -0.946 1.00 0.00 N ATOM 522 CA CYS A 34 -3.170 -2.007 -0.372 1.00 0.00 C ATOM 523 C CYS A 34 -2.262 -2.605 0.698 1.00 0.00 C ATOM 524 O CYS A 34 -1.040 -2.505 0.602 1.00 0.00 O ATOM 525 CB CYS A 34 -4.072 -0.893 0.169 1.00 0.00 C ATOM 526 SG CYS A 34 -3.063 0.561 0.542 1.00 0.00 S ATOM 0 H CYS A 34 -4.931 -3.116 -0.585 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.534 -1.552 -1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.838 -0.641 -0.564 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.589 -1.231 1.067 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.823 1.511 1.000 1.00 0.00 H new ATOM 532 N VAL A 35 -2.868 -3.235 1.705 1.00 0.00 N ATOM 533 CA VAL A 35 -2.176 -3.715 2.891 1.00 0.00 C ATOM 534 C VAL A 35 -1.048 -4.674 2.500 1.00 0.00 C ATOM 535 O VAL A 35 0.056 -4.555 3.024 1.00 0.00 O ATOM 536 CB VAL A 35 -3.202 -4.328 3.871 1.00 0.00 C ATOM 537 CG1 VAL A 35 -2.571 -4.744 5.203 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.334 -3.343 4.217 1.00 0.00 C ATOM 0 H VAL A 35 -3.870 -3.427 1.715 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.695 -2.888 3.412 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.591 -5.200 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.337 -5.168 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.796 -5.489 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.130 -3.872 5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.031 -3.818 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.912 -2.452 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.862 -3.061 3.306 1.00 0.00 H new ATOM 548 N GLN A 36 -1.282 -5.580 1.548 1.00 0.00 N ATOM 549 CA GLN A 36 -0.270 -6.545 1.156 1.00 0.00 C ATOM 550 C GLN A 36 0.927 -5.878 0.470 1.00 0.00 C ATOM 551 O GLN A 36 2.080 -6.223 0.736 1.00 0.00 O ATOM 552 CB GLN A 36 -0.899 -7.641 0.290 1.00 0.00 C ATOM 553 CG GLN A 36 -1.337 -7.286 -1.142 1.00 0.00 C ATOM 554 CD GLN A 36 -0.398 -7.958 -2.138 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.582 -7.227 -2.639 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.481 -9.163 -2.382 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.163 -5.660 1.040 1.00 0.00 H new ATOM 0 HA GLN A 36 0.126 -7.012 2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.185 -8.462 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.773 -8.021 0.819 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.362 -7.614 -1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.321 -6.205 -1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.244 -9.712 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.214 -9.611 -2.979 1.00 0.00 H new ATOM 565 N LEU A 37 0.656 -4.922 -0.425 1.00 0.00 N ATOM 566 CA LEU A 37 1.653 -4.274 -1.269 1.00 0.00 C ATOM 567 C LEU A 37 2.493 -3.284 -0.459 1.00 0.00 C ATOM 568 O LEU A 37 3.548 -2.856 -0.919 1.00 0.00 O ATOM 569 CB LEU A 37 0.922 -3.596 -2.433 1.00 0.00 C ATOM 570 CG LEU A 37 1.760 -3.117 -3.643 1.00 0.00 C ATOM 571 CD1 LEU A 37 3.046 -3.895 -3.947 1.00 0.00 C ATOM 572 CD2 LEU A 37 0.915 -3.231 -4.917 1.00 0.00 C ATOM 0 H LEU A 37 -0.289 -4.572 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 37 2.351 -5.010 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.169 -4.292 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.389 -2.733 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 37 2.049 -2.104 -3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.538 -3.459 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.714 -3.843 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.801 -4.937 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.500 -2.895 -5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.619 -4.269 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.025 -2.610 -4.820 1.00 0.00 H new ATOM 584 N HIS A 38 2.058 -2.930 0.751 1.00 0.00 N ATOM 585 CA HIS A 38 2.853 -2.158 1.688 1.00 0.00 C ATOM 586 C HIS A 38 4.130 -2.917 2.042 1.00 0.00 C ATOM 587 O HIS A 38 5.227 -2.371 1.920 1.00 0.00 O ATOM 588 CB HIS A 38 2.000 -1.842 2.918 1.00 0.00 C ATOM 589 CG HIS A 38 2.634 -0.880 3.881 1.00 0.00 C ATOM 590 ND1 HIS A 38 2.497 0.477 3.848 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 3.394 -1.200 4.983 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 3.131 0.994 4.975 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.672 -0.051 5.624 1.00 0.00 N flip ATOM 0 H HIS A 38 1.134 -3.177 1.105 1.00 0.00 H new ATOM 0 HA HIS A 38 3.162 -1.214 1.240 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.046 -1.431 2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.782 -2.772 3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.709 -2.190 5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.179 2.032 5.270 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.218 0.018 6.483 1.00 0.00 H new ATOM 601 N ASN A 39 3.996 -4.199 2.408 1.00 0.00 N ATOM 602 CA ASN A 39 5.147 -5.003 2.817 1.00 0.00 C ATOM 603 C ASN A 39 6.149 -5.107 1.685 1.00 0.00 C ATOM 604 O ASN A 39 7.355 -5.069 1.914 1.00 0.00 O ATOM 605 CB ASN A 39 4.782 -6.446 3.209 1.00 0.00 C ATOM 606 CG ASN A 39 3.614 -6.548 4.165 1.00 0.00 C ATOM 607 OD1 ASN A 39 3.782 -6.485 5.381 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.418 -6.666 3.615 1.00 0.00 N ATOM 0 H ASN A 39 3.106 -4.696 2.428 1.00 0.00 H new ATOM 0 HA ASN A 39 5.556 -4.489 3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.549 -7.009 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.652 -6.919 3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.587 -6.708 4.205 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.326 -6.715 2.600 1.00 0.00 H new ATOM 615 N ASP A 40 5.644 -5.225 0.455 1.00 0.00 N ATOM 616 CA ASP A 40 6.442 -5.459 -0.743 1.00 0.00 C ATOM 617 C ASP A 40 7.533 -4.401 -0.918 1.00 0.00 C ATOM 618 O ASP A 40 8.528 -4.657 -1.587 1.00 0.00 O ATOM 619 CB ASP A 40 5.546 -5.444 -1.992 1.00 0.00 C ATOM 620 CG ASP A 40 5.617 -6.705 -2.865 1.00 0.00 C ATOM 621 OD1 ASP A 40 5.451 -7.820 -2.322 1.00 0.00 O ATOM 622 OD2 ASP A 40 5.690 -6.611 -4.109 1.00 0.00 O ATOM 0 H ASP A 40 4.644 -5.158 0.264 1.00 0.00 H new ATOM 0 HA ASP A 40 6.914 -6.434 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.513 -5.298 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.817 -4.583 -2.603 1.00 0.00 H new ATOM 627 N ILE A 41 7.335 -3.203 -0.352 1.00 0.00 N ATOM 628 CA ILE A 41 8.244 -2.071 -0.446 1.00 0.00 C ATOM 629 C ILE A 41 9.438 -2.298 0.497 1.00 0.00 C ATOM 630 O ILE A 41 10.600 -2.133 0.108 1.00 0.00 O ATOM 631 CB ILE A 41 7.508 -0.757 -0.081 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.163 -0.568 -0.820 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.407 0.472 -0.319 1.00 0.00 C ATOM 634 CD1 ILE A 41 6.162 -0.881 -2.315 1.00 0.00 C ATOM 0 H ILE A 41 6.504 -2.996 0.203 1.00 0.00 H new ATOM 0 HA ILE A 41 8.607 -1.984 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 41 7.278 -0.845 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.416 -1.199 -0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.842 0.465 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.862 1.378 -0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.302 0.393 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.693 0.515 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.165 -0.711 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.876 -0.233 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.444 -1.923 -2.469 1.00 0.00 H new ATOM 646 N LEU A 42 9.192 -2.651 1.764 1.00 0.00 N ATOM 647 CA LEU A 42 10.291 -2.917 2.687 1.00 0.00 C ATOM 648 C LEU A 42 10.990 -4.203 2.268 1.00 0.00 C ATOM 649 O LEU A 42 12.219 -4.242 2.218 1.00 0.00 O ATOM 650 CB LEU A 42 9.823 -2.981 4.148 1.00 0.00 C ATOM 651 CG LEU A 42 9.087 -1.720 4.638 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.745 -1.869 6.119 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.923 -0.456 4.444 1.00 0.00 C ATOM 0 H LEU A 42 8.260 -2.756 2.164 1.00 0.00 H new ATOM 0 HA LEU A 42 10.996 -2.087 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.164 -3.841 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.689 -3.152 4.787 1.00 0.00 H new ATOM 0 HG LEU A 42 8.179 -1.619 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.224 -0.976 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.104 -2.739 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.662 -1.998 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.365 0.408 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.853 -0.546 5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.148 -0.328 3.385 1.00 0.00 H new ATOM 665 N LEU A 43 10.224 -5.218 1.859 1.00 0.00 N ATOM 666 CA LEU A 43 10.731 -6.518 1.426 1.00 0.00 C ATOM 667 C LEU A 43 11.270 -6.448 -0.008 1.00 0.00 C ATOM 668 O LEU A 43 11.605 -7.486 -0.588 1.00 0.00 O ATOM 669 CB LEU A 43 9.634 -7.597 1.564 1.00 0.00 C ATOM 670 CG LEU A 43 9.476 -8.169 2.988 1.00 0.00 C ATOM 671 CD1 LEU A 43 9.014 -7.147 4.036 1.00 0.00 C ATOM 672 CD2 LEU A 43 8.469 -9.324 2.962 1.00 0.00 C ATOM 0 H LEU A 43 9.207 -5.154 1.820 1.00 0.00 H new ATOM 0 HA LEU A 43 11.562 -6.797 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.681 -7.171 1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.859 -8.415 0.880 1.00 0.00 H new ATOM 0 HG LEU A 43 10.471 -8.498 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.930 -7.635 5.007 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.740 -6.337 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.044 -6.743 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.355 -9.730 3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.505 -8.959 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.829 -10.106 2.293 1.00 0.00 H new ATOM 684 N ALA A 44 11.327 -5.255 -0.608 1.00 0.00 N ATOM 685 CA ALA A 44 11.685 -5.060 -2.002 1.00 0.00 C ATOM 686 C ALA A 44 13.120 -5.463 -2.307 1.00 0.00 C ATOM 687 O ALA A 44 13.977 -5.582 -1.425 1.00 0.00 O ATOM 688 CB ALA A 44 11.507 -3.604 -2.399 1.00 0.00 C ATOM 0 H ALA A 44 11.120 -4.383 -0.121 1.00 0.00 H new ATOM 0 HA ALA A 44 11.018 -5.704 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.780 -3.477 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.466 -3.313 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.147 -2.977 -1.778 1.00 0.00 H new ATOM 694 N LYS A 45 13.372 -5.651 -3.597 1.00 0.00 N ATOM 695 CA LYS A 45 14.651 -6.036 -4.164 1.00 0.00 C ATOM 696 C LYS A 45 15.706 -4.981 -3.853 1.00 0.00 C ATOM 697 O LYS A 45 16.697 -5.295 -3.184 1.00 0.00 O ATOM 698 CB LYS A 45 14.458 -6.239 -5.672 1.00 0.00 C ATOM 699 CG LYS A 45 13.548 -7.433 -6.007 1.00 0.00 C ATOM 700 CD LYS A 45 14.203 -8.793 -5.737 1.00 0.00 C ATOM 701 CE LYS A 45 15.258 -9.078 -6.813 1.00 0.00 C ATOM 702 NZ LYS A 45 15.805 -10.446 -6.726 1.00 0.00 N ATOM 0 H LYS A 45 12.651 -5.532 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 45 15.007 -6.968 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.032 -5.333 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.431 -6.388 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.631 -7.357 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.261 -7.378 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.666 -8.796 -4.750 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.447 -9.578 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.816 -8.930 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.072 -8.359 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.513 -10.585 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.253 -10.582 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.036 -11.136 -6.844 1.00 0.00 H new ATOM 716 N ASP A 46 15.464 -3.746 -4.281 1.00 0.00 N ATOM 717 CA ASP A 46 16.304 -2.578 -4.030 1.00 0.00 C ATOM 718 C ASP A 46 15.394 -1.485 -3.491 1.00 0.00 C ATOM 719 O ASP A 46 14.185 -1.668 -3.366 1.00 0.00 O ATOM 720 CB ASP A 46 17.001 -2.040 -5.300 1.00 0.00 C ATOM 721 CG ASP A 46 18.153 -2.904 -5.819 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.103 -4.147 -5.703 1.00 0.00 O ATOM 723 OD2 ASP A 46 19.198 -2.310 -6.167 1.00 0.00 O ATOM 0 H ASP A 46 14.639 -3.521 -4.838 1.00 0.00 H new ATOM 0 HA ASP A 46 17.091 -2.869 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.257 -1.940 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.382 -1.040 -5.092 1.00 0.00 H new ATOM 728 N THR A 47 15.966 -0.326 -3.193 1.00 0.00 N ATOM 729 CA THR A 47 15.245 0.906 -2.956 1.00 0.00 C ATOM 730 C THR A 47 14.402 1.319 -4.170 1.00 0.00 C ATOM 731 O THR A 47 13.194 1.502 -4.018 1.00 0.00 O ATOM 732 CB THR A 47 16.297 1.947 -2.591 1.00 0.00 C ATOM 733 OG1 THR A 47 16.906 1.554 -1.369 1.00 0.00 O ATOM 734 CG2 THR A 47 15.684 3.334 -2.489 1.00 0.00 C ATOM 0 H THR A 47 16.977 -0.220 -3.108 1.00 0.00 H new ATOM 0 HA THR A 47 14.523 0.792 -2.148 1.00 0.00 H new ATOM 0 HB THR A 47 17.054 2.000 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.588 2.211 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 47 16.458 4.056 -2.227 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.242 3.608 -3.447 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.912 3.335 -1.719 1.00 0.00 H new ATOM 742 N THR A 48 15.012 1.481 -5.351 1.00 0.00 N ATOM 743 CA THR A 48 14.291 1.852 -6.566 1.00 0.00 C ATOM 744 C THR A 48 13.153 0.854 -6.775 1.00 0.00 C ATOM 745 O THR A 48 11.981 1.230 -6.806 1.00 0.00 O ATOM 746 CB THR A 48 15.245 1.993 -7.777 1.00 0.00 C ATOM 747 OG1 THR A 48 14.551 1.937 -9.002 1.00 0.00 O ATOM 748 CG2 THR A 48 16.331 0.913 -7.828 1.00 0.00 C ATOM 0 H THR A 48 16.015 1.358 -5.487 1.00 0.00 H new ATOM 0 HA THR A 48 13.848 2.842 -6.460 1.00 0.00 H new ATOM 0 HB THR A 48 15.712 2.968 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 48 15.186 2.031 -9.742 1.00 0.00 H new ATOM 0 HG21 THR A 48 16.963 1.073 -8.702 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.940 0.966 -6.925 1.00 0.00 H new ATOM 0 HG23 THR A 48 15.864 -0.070 -7.893 1.00 0.00 H new ATOM 756 N GLU A 49 13.486 -0.438 -6.769 1.00 0.00 N ATOM 757 CA GLU A 49 12.531 -1.507 -7.051 1.00 0.00 C ATOM 758 C GLU A 49 11.532 -1.698 -5.888 1.00 0.00 C ATOM 759 O GLU A 49 10.636 -2.542 -5.956 1.00 0.00 O ATOM 760 CB GLU A 49 13.296 -2.784 -7.468 1.00 0.00 C ATOM 761 CG GLU A 49 12.348 -3.861 -8.037 1.00 0.00 C ATOM 762 CD GLU A 49 12.989 -4.949 -8.920 1.00 0.00 C ATOM 763 OE1 GLU A 49 14.179 -5.284 -8.724 1.00 0.00 O ATOM 764 OE2 GLU A 49 12.241 -5.531 -9.741 1.00 0.00 O ATOM 0 H GLU A 49 14.429 -0.772 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 49 11.902 -1.234 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.047 -2.530 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.828 -3.187 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.849 -4.351 -7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.575 -3.361 -8.621 1.00 0.00 H new ATOM 771 N ALA A 50 11.649 -0.915 -4.811 1.00 0.00 N ATOM 772 CA ALA A 50 10.606 -0.716 -3.825 1.00 0.00 C ATOM 773 C ALA A 50 9.601 0.291 -4.368 1.00 0.00 C ATOM 774 O ALA A 50 8.463 -0.068 -4.656 1.00 0.00 O ATOM 775 CB ALA A 50 11.197 -0.257 -2.484 1.00 0.00 C ATOM 0 H ALA A 50 12.500 -0.392 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 50 10.096 -1.661 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.393 -0.115 -1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.889 -1.014 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.729 0.684 -2.624 1.00 0.00 H new ATOM 781 N PHE A 51 9.976 1.565 -4.480 1.00 0.00 N ATOM 782 CA PHE A 51 8.981 2.585 -4.786 1.00 0.00 C ATOM 783 C PHE A 51 8.418 2.403 -6.199 1.00 0.00 C ATOM 784 O PHE A 51 7.250 2.701 -6.421 1.00 0.00 O ATOM 785 CB PHE A 51 9.493 3.999 -4.502 1.00 0.00 C ATOM 786 CG PHE A 51 10.220 4.675 -5.634 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.523 4.283 -5.973 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.579 5.698 -6.351 1.00 0.00 C ATOM 789 CE1 PHE A 51 12.179 4.907 -7.046 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.247 6.340 -7.405 1.00 0.00 C ATOM 791 CZ PHE A 51 11.559 5.963 -7.732 1.00 0.00 C ATOM 0 H PHE A 51 10.931 1.906 -4.367 1.00 0.00 H new ATOM 0 HA PHE A 51 8.141 2.449 -4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.645 4.621 -4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.160 3.957 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.019 3.505 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.572 5.991 -6.091 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.162 4.574 -7.344 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.753 7.122 -7.963 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.092 6.486 -8.512 1.00 0.00 H new ATOM 801 N GLU A 52 9.162 1.780 -7.114 1.00 0.00 N ATOM 802 CA GLU A 52 8.683 1.396 -8.438 1.00 0.00 C ATOM 803 C GLU A 52 7.345 0.636 -8.371 1.00 0.00 C ATOM 804 O GLU A 52 6.477 0.824 -9.233 1.00 0.00 O ATOM 805 CB GLU A 52 9.752 0.528 -9.118 1.00 0.00 C ATOM 806 CG GLU A 52 10.934 1.348 -9.656 1.00 0.00 C ATOM 807 CD GLU A 52 10.777 1.613 -11.147 1.00 0.00 C ATOM 808 OE1 GLU A 52 10.112 2.621 -11.485 1.00 0.00 O ATOM 809 OE2 GLU A 52 11.329 0.835 -11.954 1.00 0.00 O ATOM 0 H GLU A 52 10.135 1.524 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 52 8.506 2.302 -9.017 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.122 -0.209 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.296 -0.024 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.000 2.294 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.866 0.813 -9.474 1.00 0.00 H new ATOM 816 N LYS A 53 7.134 -0.214 -7.354 1.00 0.00 N ATOM 817 CA LYS A 53 5.875 -0.947 -7.220 1.00 0.00 C ATOM 818 C LYS A 53 4.833 -0.148 -6.434 1.00 0.00 C ATOM 819 O LYS A 53 3.650 -0.270 -6.738 1.00 0.00 O ATOM 820 CB LYS A 53 6.105 -2.381 -6.704 1.00 0.00 C ATOM 821 CG LYS A 53 7.111 -2.540 -5.566 1.00 0.00 C ATOM 822 CD LYS A 53 7.114 -3.972 -5.032 1.00 0.00 C ATOM 823 CE LYS A 53 7.736 -5.002 -5.988 1.00 0.00 C ATOM 824 NZ LYS A 53 9.211 -4.969 -6.040 1.00 0.00 N ATOM 0 H LYS A 53 7.816 -0.407 -6.620 1.00 0.00 H new ATOM 0 HA LYS A 53 5.443 -1.069 -8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.147 -2.782 -6.372 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.436 -2.996 -7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.108 -2.278 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.866 -1.848 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.659 -3.994 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.088 -4.269 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.417 -6.000 -5.686 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.345 -4.832 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.537 -5.409 -6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.538 -3.982 -6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.599 -5.492 -5.229 1.00 0.00 H new ATOM 838 N MET A 54 5.214 0.740 -5.505 1.00 0.00 N ATOM 839 CA MET A 54 4.217 1.601 -4.853 1.00 0.00 C ATOM 840 C MET A 54 3.612 2.593 -5.846 1.00 0.00 C ATOM 841 O MET A 54 2.411 2.865 -5.807 1.00 0.00 O ATOM 842 CB MET A 54 4.756 2.325 -3.612 1.00 0.00 C ATOM 843 CG MET A 54 5.455 3.676 -3.843 1.00 0.00 C ATOM 844 SD MET A 54 5.925 4.548 -2.335 1.00 0.00 S ATOM 845 CE MET A 54 7.220 3.467 -1.687 1.00 0.00 C ATOM 0 H MET A 54 6.176 0.880 -5.195 1.00 0.00 H new ATOM 0 HA MET A 54 3.429 0.936 -4.499 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.925 2.486 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.459 1.660 -3.110 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.349 3.509 -4.444 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.794 4.317 -4.426 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.236 3.530 -0.599 1.00 0.00 H new ATOM 0 HE2 MET A 54 7.020 2.439 -1.988 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.186 3.779 -2.083 1.00 0.00 H new ATOM 855 N VAL A 55 4.431 3.112 -6.763 1.00 0.00 N ATOM 856 CA VAL A 55 4.044 4.052 -7.811 1.00 0.00 C ATOM 857 C VAL A 55 3.101 3.383 -8.820 1.00 0.00 C ATOM 858 O VAL A 55 2.426 4.059 -9.594 1.00 0.00 O ATOM 859 CB VAL A 55 5.331 4.633 -8.441 1.00 0.00 C ATOM 860 CG1 VAL A 55 5.075 5.516 -9.666 1.00 0.00 C ATOM 861 CG2 VAL A 55 6.058 5.492 -7.395 1.00 0.00 C ATOM 0 H VAL A 55 5.423 2.877 -6.795 1.00 0.00 H new ATOM 0 HA VAL A 55 3.473 4.885 -7.400 1.00 0.00 H new ATOM 0 HB VAL A 55 5.923 3.778 -8.766 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.025 5.887 -10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.573 4.932 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.445 6.359 -9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.967 5.905 -7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.406 6.305 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.317 4.875 -6.534 1.00 0.00 H new ATOM 871 N SER A 56 2.971 2.062 -8.749 1.00 0.00 N ATOM 872 CA SER A 56 2.012 1.300 -9.525 1.00 0.00 C ATOM 873 C SER A 56 0.681 1.082 -8.778 1.00 0.00 C ATOM 874 O SER A 56 -0.274 0.596 -9.383 1.00 0.00 O ATOM 875 CB SER A 56 2.689 -0.005 -9.955 1.00 0.00 C ATOM 876 OG SER A 56 3.923 0.293 -10.613 1.00 0.00 O ATOM 0 H SER A 56 3.544 1.483 -8.135 1.00 0.00 H new ATOM 0 HA SER A 56 1.723 1.862 -10.413 1.00 0.00 H new ATOM 0 HB2 SER A 56 2.871 -0.636 -9.085 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.034 -0.564 -10.623 1.00 0.00 H new ATOM 0 HG SER A 56 4.629 0.416 -9.944 1.00 0.00 H new ATOM 882 N LEU A 57 0.545 1.471 -7.501 1.00 0.00 N ATOM 883 CA LEU A 57 -0.579 1.119 -6.627 1.00 0.00 C ATOM 884 C LEU A 57 -1.446 2.345 -6.420 1.00 0.00 C ATOM 885 O LEU A 57 -2.659 2.311 -6.599 1.00 0.00 O ATOM 886 CB LEU A 57 -0.055 0.532 -5.293 1.00 0.00 C ATOM 887 CG LEU A 57 -0.952 0.737 -4.044 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.640 -0.328 -2.990 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.778 2.119 -3.380 1.00 0.00 C ATOM 0 H LEU A 57 1.238 2.058 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.193 0.347 -7.090 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.100 -0.538 -5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.921 0.972 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.978 0.659 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.276 -0.174 -2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.828 -1.318 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.406 -0.252 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.436 2.192 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.257 2.242 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.032 2.901 -4.095 1.00 0.00 H new ATOM 901 N LEU A 58 -0.814 3.461 -6.096 1.00 0.00 N ATOM 902 CA LEU A 58 -1.419 4.720 -5.683 1.00 0.00 C ATOM 903 C LEU A 58 -2.240 5.424 -6.763 1.00 0.00 C ATOM 904 O LEU A 58 -2.658 6.558 -6.565 1.00 0.00 O ATOM 905 CB LEU A 58 -0.275 5.584 -5.141 1.00 0.00 C ATOM 906 CG LEU A 58 0.517 6.340 -6.211 1.00 0.00 C ATOM 907 CD1 LEU A 58 1.717 7.041 -5.577 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.933 5.526 -7.430 1.00 0.00 C ATOM 0 H LEU A 58 0.204 3.517 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.170 4.528 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.686 6.305 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.411 4.947 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.181 7.073 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.274 7.576 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.369 7.747 -4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.365 6.300 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.487 6.162 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.565 4.696 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.045 5.137 -7.928 1.00 0.00 H new ATOM 920 N SER A 59 -2.452 4.764 -7.897 1.00 0.00 N ATOM 921 CA SER A 59 -3.300 5.186 -8.995 1.00 0.00 C ATOM 922 C SER A 59 -4.530 4.270 -9.150 1.00 0.00 C ATOM 923 O SER A 59 -5.627 4.781 -9.401 1.00 0.00 O ATOM 924 CB SER A 59 -2.413 5.274 -10.245 1.00 0.00 C ATOM 925 OG SER A 59 -3.154 5.582 -11.407 1.00 0.00 O ATOM 0 H SER A 59 -2.006 3.865 -8.080 1.00 0.00 H new ATOM 0 HA SER A 59 -3.733 6.169 -8.808 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.648 6.035 -10.092 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.895 4.326 -10.388 1.00 0.00 H new ATOM 0 HG SER A 59 -2.550 5.629 -12.177 1.00 0.00 H new ATOM 931 N VAL A 60 -4.396 2.951 -8.951 1.00 0.00 N ATOM 932 CA VAL A 60 -5.493 1.987 -9.120 1.00 0.00 C ATOM 933 C VAL A 60 -6.575 2.154 -8.041 1.00 0.00 C ATOM 934 O VAL A 60 -7.735 1.798 -8.273 1.00 0.00 O ATOM 935 CB VAL A 60 -4.958 0.532 -9.245 1.00 0.00 C ATOM 936 CG1 VAL A 60 -4.150 0.011 -8.054 1.00 0.00 C ATOM 937 CG2 VAL A 60 -6.063 -0.483 -9.549 1.00 0.00 C ATOM 0 H VAL A 60 -3.517 2.520 -8.666 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.989 2.207 -10.065 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.272 0.619 -10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.829 -1.012 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.275 0.643 -7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.770 0.030 -7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.630 -1.480 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.801 -0.468 -8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.546 -0.224 -10.491 1.00 0.00 H new ATOM 947 N LEU A 61 -6.244 2.736 -6.880 1.00 0.00 N ATOM 948 CA LEU A 61 -7.250 3.152 -5.909 1.00 0.00 C ATOM 949 C LEU A 61 -8.036 4.292 -6.539 1.00 0.00 C ATOM 950 O LEU A 61 -9.250 4.239 -6.706 1.00 0.00 O ATOM 951 CB LEU A 61 -6.613 3.632 -4.582 1.00 0.00 C ATOM 952 CG LEU A 61 -5.967 2.569 -3.676 1.00 0.00 C ATOM 953 CD1 LEU A 61 -6.866 1.355 -3.454 1.00 0.00 C ATOM 954 CD2 LEU A 61 -4.629 2.092 -4.226 1.00 0.00 C ATOM 0 H LEU A 61 -5.283 2.927 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.890 2.304 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.852 4.374 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.384 4.142 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.812 3.066 -2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.358 0.639 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.796 1.672 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.086 0.885 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.207 1.342 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.777 1.655 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.945 2.937 -4.302 1.00 0.00 H new ATOM 966 N LEU A 62 -7.321 5.353 -6.904 1.00 0.00 N ATOM 967 CA LEU A 62 -7.893 6.654 -7.220 1.00 0.00 C ATOM 968 C LEU A 62 -8.888 6.615 -8.364 1.00 0.00 C ATOM 969 O LEU A 62 -9.835 7.402 -8.365 1.00 0.00 O ATOM 970 CB LEU A 62 -6.773 7.611 -7.637 1.00 0.00 C ATOM 971 CG LEU A 62 -5.605 7.730 -6.652 1.00 0.00 C ATOM 972 CD1 LEU A 62 -4.745 8.933 -7.033 1.00 0.00 C ATOM 973 CD2 LEU A 62 -6.031 7.795 -5.182 1.00 0.00 C ATOM 0 H LEU A 62 -6.305 5.329 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.414 6.981 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.381 7.286 -8.601 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.202 8.602 -7.786 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.023 6.812 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.913 9.021 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.358 8.798 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.349 9.839 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.147 7.878 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.671 8.664 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.579 6.889 -4.922 1.00 0.00 H new ATOM 985 N SER A 63 -8.678 5.734 -9.334 1.00 0.00 N ATOM 986 CA SER A 63 -9.569 5.636 -10.474 1.00 0.00 C ATOM 987 C SER A 63 -10.920 5.035 -10.045 1.00 0.00 C ATOM 988 O SER A 63 -11.954 5.380 -10.611 1.00 0.00 O ATOM 989 CB SER A 63 -8.813 4.863 -11.553 1.00 0.00 C ATOM 990 OG SER A 63 -9.427 4.942 -12.821 1.00 0.00 O ATOM 0 H SER A 63 -7.897 5.078 -9.350 1.00 0.00 H new ATOM 0 HA SER A 63 -9.840 6.605 -10.893 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.796 5.249 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.737 3.817 -11.257 1.00 0.00 H new ATOM 0 HG SER A 63 -8.901 4.432 -13.472 1.00 0.00 H new ATOM 996 N MET A 64 -10.959 4.235 -8.972 1.00 0.00 N ATOM 997 CA MET A 64 -12.188 3.639 -8.456 1.00 0.00 C ATOM 998 C MET A 64 -12.859 4.510 -7.377 1.00 0.00 C ATOM 999 O MET A 64 -14.076 4.393 -7.183 1.00 0.00 O ATOM 1000 CB MET A 64 -11.893 2.191 -8.007 1.00 0.00 C ATOM 1001 CG MET A 64 -11.568 1.981 -6.520 1.00 0.00 C ATOM 1002 SD MET A 64 -13.014 1.399 -5.583 1.00 0.00 S ATOM 1003 CE MET A 64 -12.310 1.257 -3.925 1.00 0.00 C ATOM 0 H MET A 64 -10.128 3.984 -8.436 1.00 0.00 H new ATOM 0 HA MET A 64 -12.932 3.594 -9.251 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.757 1.575 -8.257 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.054 1.817 -8.594 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.759 1.257 -6.424 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.211 2.917 -6.091 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.786 0.430 -3.397 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.239 1.071 -3.999 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.480 2.184 -3.377 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.102 5.375 -6.677 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.593 6.055 -5.470 1.00 0.00 C ATOM 1015 C GLN A 65 -12.171 7.513 -5.256 1.00 0.00 C ATOM 1016 O GLN A 65 -12.819 8.191 -4.469 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.203 5.217 -4.244 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.711 5.264 -3.869 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.276 4.021 -3.102 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -9.817 3.062 -3.698 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.410 3.968 -1.787 1.00 0.00 N ATOM 0 H GLN A 65 -11.144 5.618 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.671 6.126 -5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.787 5.558 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.483 4.180 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.112 5.359 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.517 6.150 -3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.793 4.766 -1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.130 3.129 -1.279 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.110 8.004 -5.900 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.710 9.403 -5.776 1.00 0.00 C ATOM 1032 C GLY A 66 -10.229 9.778 -4.378 1.00 0.00 C ATOM 1033 O GLY A 66 -10.750 10.715 -3.776 1.00 0.00 O ATOM 0 H GLY A 66 -10.512 7.450 -6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.915 9.610 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.554 10.039 -6.044 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.262 9.036 -3.835 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.673 9.351 -2.539 1.00 0.00 C ATOM 1039 C ALA A 67 -7.710 10.544 -2.619 1.00 0.00 C ATOM 1040 O ALA A 67 -7.350 10.985 -3.713 1.00 0.00 O ATOM 1041 CB ALA A 67 -7.931 8.125 -2.017 1.00 0.00 C ATOM 0 H ALA A 67 -8.870 8.206 -4.280 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.479 9.627 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.488 8.353 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.630 7.295 -1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.145 7.849 -2.720 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.221 11.008 -1.463 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.290 12.139 -1.379 1.00 0.00 C ATOM 1049 C VAL A 68 -5.017 11.800 -0.597 1.00 0.00 C ATOM 1050 O VAL A 68 -3.921 12.159 -1.015 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.010 13.391 -0.834 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.897 14.013 -1.921 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.873 13.116 0.409 1.00 0.00 C ATOM 0 H VAL A 68 -7.461 10.608 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.951 12.366 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.219 14.079 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.398 14.895 -1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.281 14.301 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.643 13.286 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.347 14.042 0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.640 12.382 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.244 12.729 1.211 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.102 11.074 0.515 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.958 10.789 1.404 1.00 0.00 C ATOM 1065 C ASP A 69 -3.065 9.660 0.867 1.00 0.00 C ATOM 1066 O ASP A 69 -2.211 9.146 1.581 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.476 10.622 2.848 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.599 11.956 3.614 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.410 13.049 3.011 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.890 11.919 4.832 1.00 0.00 O ATOM 0 H ASP A 69 -5.976 10.657 0.836 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.270 11.634 1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.451 10.135 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.803 9.960 3.393 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.171 9.308 -0.420 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.472 8.157 -0.999 1.00 0.00 C ATOM 1077 C ILE A 70 -0.956 8.354 -1.011 1.00 0.00 C ATOM 1078 O ILE A 70 -0.184 7.396 -1.048 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.068 7.837 -2.389 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.878 6.364 -2.794 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.491 8.738 -3.495 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.770 5.387 -2.030 1.00 0.00 C ATOM 0 H ILE A 70 -3.747 9.817 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.632 7.284 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.135 8.035 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.077 6.263 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.836 6.087 -2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.941 8.474 -4.452 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.711 9.781 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.411 8.599 -3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.575 4.371 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.556 5.456 -0.964 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.817 5.635 -2.207 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.524 9.612 -0.970 1.00 0.00 N ATOM 1095 CA ASN A 71 0.887 9.938 -0.970 1.00 0.00 C ATOM 1096 C ASN A 71 1.482 9.839 0.436 1.00 0.00 C ATOM 1097 O ASN A 71 2.696 9.750 0.564 1.00 0.00 O ATOM 1098 CB ASN A 71 1.096 11.310 -1.626 1.00 0.00 C ATOM 1099 CG ASN A 71 1.224 11.152 -3.138 1.00 0.00 C ATOM 1100 OD1 ASN A 71 2.304 11.273 -3.698 1.00 0.00 O ATOM 1101 ND2 ASN A 71 0.152 10.800 -3.831 1.00 0.00 N ATOM 0 H ASN A 71 -1.142 10.423 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 71 1.432 9.206 -1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.258 11.966 -1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.993 11.781 -1.224 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.226 10.629 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -0.748 10.700 -3.362 1.00 0.00 H new ATOM 1108 N ARG A 72 0.665 9.779 1.497 1.00 0.00 N ATOM 1109 CA ARG A 72 1.183 9.687 2.865 1.00 0.00 C ATOM 1110 C ARG A 72 1.872 8.352 3.062 1.00 0.00 C ATOM 1111 O ARG A 72 3.036 8.332 3.451 1.00 0.00 O ATOM 1112 CB ARG A 72 0.083 9.877 3.925 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.176 11.341 4.269 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.085 11.938 3.210 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.267 13.375 3.383 1.00 0.00 N ATOM 1116 CZ ARG A 72 -0.542 14.337 2.813 1.00 0.00 C ATOM 1117 NH1 ARG A 72 0.596 14.050 2.192 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -0.967 15.588 2.862 1.00 0.00 N ATOM 0 H ARG A 72 -0.353 9.793 1.433 1.00 0.00 H new ATOM 0 HA ARG A 72 1.899 10.498 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.842 9.427 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.365 9.342 4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.639 11.422 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.764 11.891 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.666 11.743 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.056 11.444 3.247 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.023 13.672 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.923 13.085 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.143 14.795 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.844 15.811 3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -0.418 16.330 2.428 1.00 0.00 H new ATOM 1132 N LEU A 73 1.174 7.249 2.768 1.00 0.00 N ATOM 1133 CA LEU A 73 1.744 5.917 2.953 1.00 0.00 C ATOM 1134 C LEU A 73 3.015 5.733 2.121 1.00 0.00 C ATOM 1135 O LEU A 73 3.867 4.953 2.527 1.00 0.00 O ATOM 1136 CB LEU A 73 0.727 4.788 2.680 1.00 0.00 C ATOM 1137 CG LEU A 73 0.247 4.672 1.211 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.228 3.230 0.688 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -1.150 5.269 1.040 1.00 0.00 C ATOM 0 H LEU A 73 0.221 7.255 2.404 1.00 0.00 H new ATOM 0 HA LEU A 73 2.015 5.842 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.174 3.839 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.143 4.942 3.318 1.00 0.00 H new ATOM 0 HG LEU A 73 0.976 5.233 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.118 3.222 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.233 2.812 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.445 2.630 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.461 5.174 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.854 4.737 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.132 6.323 1.318 1.00 0.00 H new ATOM 1151 N CYS A 74 3.168 6.446 0.992 1.00 0.00 N ATOM 1152 CA CYS A 74 4.365 6.387 0.161 1.00 0.00 C ATOM 1153 C CYS A 74 5.589 6.730 0.996 1.00 0.00 C ATOM 1154 O CYS A 74 6.526 5.944 1.103 1.00 0.00 O ATOM 1155 CB CYS A 74 4.274 7.351 -1.031 1.00 0.00 C ATOM 1156 SG CYS A 74 2.878 6.952 -2.116 1.00 0.00 S ATOM 0 H CYS A 74 2.455 7.082 0.635 1.00 0.00 H new ATOM 0 HA CYS A 74 4.450 5.372 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.169 8.372 -0.665 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.201 7.311 -1.602 1.00 0.00 H new ATOM 0 HG CYS A 74 1.764 7.099 -1.462 1.00 0.00 H new ATOM 1162 N GLU A 75 5.537 7.902 1.609 1.00 0.00 N ATOM 1163 CA GLU A 75 6.596 8.509 2.390 1.00 0.00 C ATOM 1164 C GLU A 75 6.738 7.828 3.753 1.00 0.00 C ATOM 1165 O GLU A 75 7.624 8.187 4.516 1.00 0.00 O ATOM 1166 CB GLU A 75 6.229 9.984 2.595 1.00 0.00 C ATOM 1167 CG GLU A 75 6.007 10.774 1.291 1.00 0.00 C ATOM 1168 CD GLU A 75 5.282 12.103 1.524 1.00 0.00 C ATOM 1169 OE1 GLU A 75 5.132 12.538 2.692 1.00 0.00 O ATOM 1170 OE2 GLU A 75 4.798 12.689 0.528 1.00 0.00 O ATOM 0 H GLU A 75 4.703 8.488 1.570 1.00 0.00 H new ATOM 0 HA GLU A 75 7.545 8.403 1.865 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.322 10.039 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.022 10.467 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.970 10.968 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.428 10.166 0.596 1.00 0.00 H new ATOM 1177 N GLU A 76 5.877 6.865 4.083 1.00 0.00 N ATOM 1178 CA GLU A 76 6.043 6.021 5.248 1.00 0.00 C ATOM 1179 C GLU A 76 6.925 4.855 4.794 1.00 0.00 C ATOM 1180 O GLU A 76 8.115 4.820 5.111 1.00 0.00 O ATOM 1181 CB GLU A 76 4.655 5.652 5.808 1.00 0.00 C ATOM 1182 CG GLU A 76 4.632 5.216 7.284 1.00 0.00 C ATOM 1183 CD GLU A 76 4.886 3.722 7.486 1.00 0.00 C ATOM 1184 OE1 GLU A 76 5.999 3.266 7.167 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.988 2.973 7.956 1.00 0.00 O ATOM 0 H GLU A 76 5.040 6.654 3.539 1.00 0.00 H new ATOM 0 HA GLU A 76 6.544 6.498 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.995 6.511 5.690 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.240 4.846 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.385 5.781 7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.664 5.473 7.715 1.00 0.00 H new ATOM 1192 N MET A 77 6.391 3.940 3.982 1.00 0.00 N ATOM 1193 CA MET A 77 7.080 2.705 3.608 1.00 0.00 C ATOM 1194 C MET A 77 8.348 2.937 2.779 1.00 0.00 C ATOM 1195 O MET A 77 9.241 2.091 2.793 1.00 0.00 O ATOM 1196 CB MET A 77 6.098 1.740 2.929 1.00 0.00 C ATOM 1197 CG MET A 77 5.504 2.282 1.626 1.00 0.00 C ATOM 1198 SD MET A 77 3.976 1.479 1.075 1.00 0.00 S ATOM 1199 CE MET A 77 3.528 2.663 -0.209 1.00 0.00 C ATOM 0 H MET A 77 5.465 4.036 3.564 1.00 0.00 H new ATOM 0 HA MET A 77 7.438 2.241 4.527 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.611 0.801 2.721 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.287 1.514 3.621 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.310 3.347 1.751 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.251 2.184 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.765 2.228 -0.855 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.139 3.571 0.253 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.409 2.907 -0.802 1.00 0.00 H new ATOM 1209 N LEU A 78 8.477 4.059 2.065 1.00 0.00 N ATOM 1210 CA LEU A 78 9.728 4.394 1.392 1.00 0.00 C ATOM 1211 C LEU A 78 10.766 4.808 2.429 1.00 0.00 C ATOM 1212 O LEU A 78 11.862 4.251 2.469 1.00 0.00 O ATOM 1213 CB LEU A 78 9.503 5.504 0.347 1.00 0.00 C ATOM 1214 CG LEU A 78 10.672 5.753 -0.627 1.00 0.00 C ATOM 1215 CD1 LEU A 78 11.298 4.451 -1.147 1.00 0.00 C ATOM 1216 CD2 LEU A 78 10.143 6.574 -1.815 1.00 0.00 C ATOM 0 H LEU A 78 7.733 4.745 1.940 1.00 0.00 H new ATOM 0 HA LEU A 78 10.098 3.518 0.860 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.616 5.255 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.288 6.434 0.873 1.00 0.00 H new ATOM 0 HG LEU A 78 11.453 6.288 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 78 12.115 4.687 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.681 3.871 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.542 3.869 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.955 6.762 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.350 6.019 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.748 7.524 -1.454 1.00 0.00 H new ATOM 1228 N ASP A 79 10.421 5.754 3.300 1.00 0.00 N ATOM 1229 CA ASP A 79 11.363 6.301 4.273 1.00 0.00 C ATOM 1230 C ASP A 79 11.788 5.227 5.277 1.00 0.00 C ATOM 1231 O ASP A 79 12.901 5.229 5.801 1.00 0.00 O ATOM 1232 CB ASP A 79 10.741 7.506 4.986 1.00 0.00 C ATOM 1233 CG ASP A 79 11.794 8.550 5.348 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.462 8.381 6.394 1.00 0.00 O ATOM 1235 OD2 ASP A 79 11.940 9.546 4.604 1.00 0.00 O ATOM 0 H ASP A 79 9.487 6.160 3.351 1.00 0.00 H new ATOM 0 HA ASP A 79 12.257 6.636 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.985 7.958 4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.233 7.172 5.891 1.00 0.00 H new ATOM 1240 N ASN A 80 10.911 4.258 5.537 1.00 0.00 N ATOM 1241 CA ASN A 80 11.152 3.163 6.473 1.00 0.00 C ATOM 1242 C ASN A 80 12.227 2.208 5.957 1.00 0.00 C ATOM 1243 O ASN A 80 12.924 1.593 6.769 1.00 0.00 O ATOM 1244 CB ASN A 80 9.843 2.417 6.772 1.00 0.00 C ATOM 1245 CG ASN A 80 9.108 3.053 7.941 1.00 0.00 C ATOM 1246 OD1 ASN A 80 8.968 2.455 9.009 1.00 0.00 O ATOM 1247 ND2 ASN A 80 8.703 4.296 7.788 1.00 0.00 N ATOM 0 H ASN A 80 9.994 4.212 5.093 1.00 0.00 H new ATOM 0 HA ASN A 80 11.524 3.592 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.205 2.426 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.059 1.373 6.998 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.261 4.788 8.565 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.831 4.768 6.893 1.00 0.00 H new ATOM 1254 N ARG A 81 12.417 2.087 4.636 1.00 0.00 N ATOM 1255 CA ARG A 81 13.584 1.388 4.098 1.00 0.00 C ATOM 1256 C ARG A 81 14.788 2.322 3.971 1.00 0.00 C ATOM 1257 O ARG A 81 15.924 1.867 4.093 1.00 0.00 O ATOM 1258 CB ARG A 81 13.251 0.646 2.810 1.00 0.00 C ATOM 1259 CG ARG A 81 12.859 1.469 1.576 1.00 0.00 C ATOM 1260 CD ARG A 81 13.476 0.866 0.320 1.00 0.00 C ATOM 1261 NE ARG A 81 13.246 -0.591 0.188 1.00 0.00 N ATOM 1262 CZ ARG A 81 14.215 -1.518 0.199 1.00 0.00 C ATOM 1263 NH1 ARG A 81 15.494 -1.179 0.023 1.00 0.00 N ATOM 1264 NH2 ARG A 81 13.913 -2.788 0.437 1.00 0.00 N ATOM 0 H ARG A 81 11.783 2.461 3.930 1.00 0.00 H new ATOM 0 HA ARG A 81 13.876 0.620 4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.116 0.039 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.433 -0.041 3.025 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.774 1.497 1.479 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.195 2.499 1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.066 1.371 -0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.549 1.057 0.325 1.00 0.00 H new ATOM 0 HE ARG A 81 12.284 -0.912 0.081 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.747 -0.202 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.218 -1.897 0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.945 -3.058 0.611 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.649 -3.494 0.446 1.00 0.00 H new ATOM 1278 N ALA A 82 14.555 3.614 3.749 1.00 0.00 N ATOM 1279 CA ALA A 82 15.603 4.619 3.590 1.00 0.00 C ATOM 1280 C ALA A 82 16.352 4.934 4.895 1.00 0.00 C ATOM 1281 O ALA A 82 17.470 5.436 4.858 1.00 0.00 O ATOM 1282 CB ALA A 82 14.974 5.899 3.040 1.00 0.00 C ATOM 0 H ALA A 82 13.613 3.999 3.673 1.00 0.00 H new ATOM 0 HA ALA A 82 16.342 4.211 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.745 6.659 2.916 1.00 0.00 H new ATOM 0 HB2 ALA A 82 14.511 5.691 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.217 6.260 3.736 1.00 0.00 H new ATOM 1288 N THR A 83 15.765 4.676 6.061 1.00 0.00 N ATOM 1289 CA THR A 83 16.367 4.957 7.365 1.00 0.00 C ATOM 1290 C THR A 83 17.478 3.947 7.666 1.00 0.00 C ATOM 1291 O THR A 83 18.365 4.228 8.460 1.00 0.00 O ATOM 1292 CB THR A 83 15.250 5.010 8.422 1.00 0.00 C ATOM 1293 OG1 THR A 83 15.557 5.750 9.587 1.00 0.00 O ATOM 1294 CG2 THR A 83 14.782 3.629 8.857 1.00 0.00 C ATOM 0 H THR A 83 14.838 4.257 6.129 1.00 0.00 H new ATOM 0 HA THR A 83 16.857 5.930 7.374 1.00 0.00 H new ATOM 0 HB THR A 83 14.454 5.534 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 83 14.792 5.730 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.994 3.730 9.603 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.397 3.087 7.994 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.620 3.079 9.286 1.00 0.00 H new