USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 446 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.635 USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.111) USER MOD Single : A 16 TYR OH : rot 120:sc= -0.166 USER MOD Single : A 19 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.044) USER MOD Single : A 20 ASN : amide:sc= -0.634 K(o=-0.63,f=-0.12) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.0291 (180deg=-0.251) USER MOD Single : A 33 THR OG1 : rot -73:sc= 0.393 USER MOD Single : A 36 ASN : amide:sc= -0.0337 K(o=-0.034,f=-0.76) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.9!) USER MOD Single : A 59 ASN : amide:sc= -0.375 K(o=-0.37,f=-2.9) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 2.968 -7.205 -0.657 1.00 0.00 N ATOM 67 CA ASP A 8 4.062 -6.579 -1.391 1.00 0.00 C ATOM 68 C ASP A 8 4.673 -5.437 -0.585 1.00 0.00 C ATOM 69 O ASP A 8 3.965 -4.543 -0.121 1.00 0.00 O ATOM 70 CB ASP A 8 3.566 -6.059 -2.741 1.00 0.00 C ATOM 71 CG ASP A 8 3.648 -7.110 -3.831 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.325 -8.282 -3.550 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.036 -6.759 -4.966 1.00 0.00 O ATOM 0 HA ASP A 8 4.831 -7.332 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.534 -5.723 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.157 -5.191 -3.032 1.00 0.00 H new ATOM 78 N TYR A 9 5.991 -5.473 -0.423 1.00 0.00 N ATOM 79 CA TYR A 9 6.697 -4.443 0.330 1.00 0.00 C ATOM 80 C TYR A 9 7.104 -3.288 -0.579 1.00 0.00 C ATOM 81 O TYR A 9 7.620 -3.499 -1.677 1.00 0.00 O ATOM 82 CB TYR A 9 7.934 -5.035 1.007 1.00 0.00 C ATOM 83 CG TYR A 9 7.668 -5.566 2.398 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.491 -6.244 2.690 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.594 -5.390 3.419 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.244 -6.730 3.960 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.356 -5.874 4.691 1.00 0.00 C ATOM 88 CZ TYR A 9 7.179 -6.542 4.956 1.00 0.00 C ATOM 89 OH TYR A 9 6.937 -7.026 6.221 1.00 0.00 O ATOM 0 H TYR A 9 6.592 -6.204 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 9 6.022 -4.059 1.095 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.325 -5.842 0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.709 -4.270 1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.757 -6.394 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.516 -4.866 3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.324 -7.254 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.087 -5.730 5.473 1.00 0.00 H new ATOM 0 HH TYR A 9 7.695 -6.811 6.804 1.00 0.00 H new ATOM 99 N CYS A 10 6.870 -2.066 -0.112 1.00 0.00 N ATOM 100 CA CYS A 10 7.212 -0.875 -0.882 1.00 0.00 C ATOM 101 C CYS A 10 7.956 0.136 -0.016 1.00 0.00 C ATOM 102 O CYS A 10 7.475 0.534 1.046 1.00 0.00 O ATOM 103 CB CYS A 10 5.949 -0.237 -1.462 1.00 0.00 C ATOM 104 SG CYS A 10 4.892 -1.388 -2.373 1.00 0.00 S ATOM 0 H CYS A 10 6.445 -1.874 0.795 1.00 0.00 H new ATOM 0 HA CYS A 10 7.866 -1.176 -1.700 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.372 0.204 -0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.238 0.577 -2.126 1.00 0.00 H new ATOM 0 HG CYS A 10 3.849 -0.756 -2.823 1.00 0.00 H new ATOM 110 N LYS A 11 9.133 0.548 -0.475 1.00 0.00 N ATOM 111 CA LYS A 11 9.945 1.513 0.256 1.00 0.00 C ATOM 112 C LYS A 11 9.560 2.941 -0.116 1.00 0.00 C ATOM 113 O LYS A 11 9.425 3.272 -1.294 1.00 0.00 O ATOM 114 CB LYS A 11 11.430 1.283 -0.031 1.00 0.00 C ATOM 115 CG LYS A 11 12.308 2.475 0.308 1.00 0.00 C ATOM 116 CD LYS A 11 13.778 2.169 0.078 1.00 0.00 C ATOM 117 CE LYS A 11 14.432 1.602 1.329 1.00 0.00 C ATOM 118 NZ LYS A 11 14.638 2.647 2.369 1.00 0.00 N ATOM 0 H LYS A 11 9.546 0.228 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 11 9.761 1.371 1.321 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.771 0.418 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.554 1.040 -1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.014 3.330 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.153 2.758 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.879 1.457 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.297 3.078 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 11 13.810 0.804 1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.392 1.156 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.314 2.301 3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.013 3.509 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.731 2.861 2.830 1.00 0.00 H new ATOM 132 N VAL A 12 9.386 3.786 0.896 1.00 0.00 N ATOM 133 CA VAL A 12 9.019 5.179 0.674 1.00 0.00 C ATOM 134 C VAL A 12 10.256 6.047 0.471 1.00 0.00 C ATOM 135 O VAL A 12 11.106 6.150 1.355 1.00 0.00 O ATOM 136 CB VAL A 12 8.201 5.739 1.853 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.881 7.209 1.632 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.927 4.931 2.048 1.00 0.00 C ATOM 0 H VAL A 12 9.493 3.529 1.877 1.00 0.00 H new ATOM 0 HA VAL A 12 8.407 5.205 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 12 8.800 5.656 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.303 7.586 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.809 7.774 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.302 7.321 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.361 5.340 2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.322 4.981 1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.183 3.892 2.257 1.00 0.00 H new ATOM 148 N ILE A 13 10.349 6.670 -0.699 1.00 0.00 N ATOM 149 CA ILE A 13 11.481 7.531 -1.018 1.00 0.00 C ATOM 150 C ILE A 13 11.080 9.002 -0.982 1.00 0.00 C ATOM 151 O ILE A 13 11.897 9.872 -0.678 1.00 0.00 O ATOM 152 CB ILE A 13 12.064 7.203 -2.405 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.946 7.116 -3.445 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.851 5.901 -2.354 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.214 5.792 -3.437 1.00 0.00 C ATOM 0 H ILE A 13 9.654 6.595 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 13 12.242 7.346 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 13 12.743 8.004 -2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.231 7.918 -3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.369 7.282 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.257 5.682 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.668 5.998 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.192 5.090 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.435 5.802 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.917 4.986 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.761 5.632 -2.458 1.00 0.00 H new ATOM 167 N PHE A 14 9.817 9.273 -1.294 1.00 0.00 N ATOM 168 CA PHE A 14 9.307 10.639 -1.297 1.00 0.00 C ATOM 169 C PHE A 14 8.337 10.860 -0.140 1.00 0.00 C ATOM 170 O PHE A 14 7.384 10.106 0.057 1.00 0.00 O ATOM 171 CB PHE A 14 8.611 10.943 -2.626 1.00 0.00 C ATOM 172 CG PHE A 14 9.533 11.501 -3.672 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.281 10.656 -4.476 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.651 12.869 -3.852 1.00 0.00 C ATOM 175 CE1 PHE A 14 11.131 11.166 -5.438 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.499 13.385 -4.814 1.00 0.00 C ATOM 177 CZ PHE A 14 11.240 12.533 -5.609 1.00 0.00 C ATOM 0 H PHE A 14 9.128 8.565 -1.548 1.00 0.00 H new ATOM 0 HA PHE A 14 10.152 11.316 -1.174 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.155 10.029 -3.006 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.803 11.653 -2.450 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.199 9.587 -4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.074 13.540 -3.234 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.710 10.496 -6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.582 14.454 -4.944 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.903 12.934 -6.362 1.00 0.00 H new ATOM 187 N PRO A 15 8.586 11.919 0.645 1.00 0.00 N ATOM 188 CA PRO A 15 7.747 12.265 1.797 1.00 0.00 C ATOM 189 C PRO A 15 6.371 12.773 1.380 1.00 0.00 C ATOM 190 O PRO A 15 6.259 13.716 0.596 1.00 0.00 O ATOM 191 CB PRO A 15 8.539 13.375 2.492 1.00 0.00 C ATOM 192 CG PRO A 15 9.368 13.981 1.413 1.00 0.00 C ATOM 193 CD PRO A 15 9.705 12.860 0.469 1.00 0.00 C ATOM 0 HA PRO A 15 7.550 11.401 2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.875 14.113 2.943 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.162 12.975 3.293 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.822 14.772 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.272 14.431 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.778 13.210 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.661 12.399 0.717 1.00 0.00 H new ATOM 201 N TYR A 16 5.328 12.144 1.909 1.00 0.00 N ATOM 202 CA TYR A 16 3.959 12.532 1.590 1.00 0.00 C ATOM 203 C TYR A 16 3.151 12.772 2.861 1.00 0.00 C ATOM 204 O TYR A 16 3.334 12.085 3.865 1.00 0.00 O ATOM 205 CB TYR A 16 3.286 11.452 0.740 1.00 0.00 C ATOM 206 CG TYR A 16 1.775 11.511 0.772 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.094 12.632 0.312 1.00 0.00 C ATOM 208 CD2 TYR A 16 1.029 10.447 1.263 1.00 0.00 C ATOM 209 CE1 TYR A 16 -0.285 12.691 0.340 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.351 10.497 1.294 1.00 0.00 C ATOM 211 CZ TYR A 16 -1.004 11.620 0.831 1.00 0.00 C ATOM 212 OH TYR A 16 -2.378 11.674 0.861 1.00 0.00 O ATOM 0 H TYR A 16 5.404 11.363 2.561 1.00 0.00 H new ATOM 0 HA TYR A 16 3.994 13.462 1.023 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.623 11.551 -0.292 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.611 10.472 1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.653 13.471 -0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.537 9.566 1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.798 13.570 -0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.916 9.661 1.679 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.746 10.946 0.317 1.00 0.00 H new ATOM 222 N GLU A 17 2.255 13.753 2.808 1.00 0.00 N ATOM 223 CA GLU A 17 1.418 14.085 3.955 1.00 0.00 C ATOM 224 C GLU A 17 -0.052 13.810 3.653 1.00 0.00 C ATOM 225 O GLU A 17 -0.637 14.418 2.757 1.00 0.00 O ATOM 226 CB GLU A 17 1.605 15.553 4.343 1.00 0.00 C ATOM 227 CG GLU A 17 1.119 15.879 5.745 1.00 0.00 C ATOM 228 CD GLU A 17 1.763 17.130 6.311 1.00 0.00 C ATOM 229 OE1 GLU A 17 3.010 17.195 6.338 1.00 0.00 O ATOM 230 OE2 GLU A 17 1.020 18.043 6.726 1.00 0.00 O ATOM 0 H GLU A 17 2.090 14.331 1.984 1.00 0.00 H new ATOM 0 HA GLU A 17 1.723 13.455 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.662 15.809 4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.072 16.180 3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.037 16.008 5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.330 15.037 6.404 1.00 0.00 H new ATOM 237 N ALA A 18 -0.643 12.890 4.409 1.00 0.00 N ATOM 238 CA ALA A 18 -2.045 12.536 4.224 1.00 0.00 C ATOM 239 C ALA A 18 -2.932 13.776 4.239 1.00 0.00 C ATOM 240 O ALA A 18 -3.189 14.353 5.295 1.00 0.00 O ATOM 241 CB ALA A 18 -2.488 11.555 5.299 1.00 0.00 C ATOM 0 H ALA A 18 -0.173 12.377 5.155 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.148 12.060 3.249 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.537 11.299 5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.882 10.651 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.363 12.011 6.281 1.00 0.00 H new ATOM 247 N GLN A 19 -3.396 14.180 3.061 1.00 0.00 N ATOM 248 CA GLN A 19 -4.253 15.354 2.940 1.00 0.00 C ATOM 249 C GLN A 19 -5.576 15.139 3.667 1.00 0.00 C ATOM 250 O GLN A 19 -6.080 16.038 4.338 1.00 0.00 O ATOM 251 CB GLN A 19 -4.513 15.672 1.466 1.00 0.00 C ATOM 252 CG GLN A 19 -5.480 16.826 1.255 1.00 0.00 C ATOM 253 CD GLN A 19 -5.021 18.104 1.929 1.00 0.00 C ATOM 254 OE1 GLN A 19 -4.043 18.724 1.510 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.725 18.504 2.981 1.00 0.00 N ATOM 0 H GLN A 19 -3.193 13.712 2.177 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.739 16.197 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.566 15.909 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.909 14.783 0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.597 17.006 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.461 16.548 1.641 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.529 17.959 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.462 19.356 3.476 1.00 0.00 H new ATOM 264 N ASN A 20 -6.134 13.941 3.528 1.00 0.00 N ATOM 265 CA ASN A 20 -7.400 13.607 4.171 1.00 0.00 C ATOM 266 C ASN A 20 -7.225 12.451 5.150 1.00 0.00 C ATOM 267 O ASN A 20 -6.554 11.464 4.847 1.00 0.00 O ATOM 268 CB ASN A 20 -8.451 13.246 3.119 1.00 0.00 C ATOM 269 CG ASN A 20 -8.430 14.190 1.933 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.261 13.765 0.790 1.00 0.00 O ATOM 271 ND2 ASN A 20 -8.603 15.479 2.200 1.00 0.00 N ATOM 0 H ASN A 20 -5.729 13.185 2.976 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.738 14.481 4.727 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.279 12.227 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.440 13.264 3.577 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.599 16.162 1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.740 15.786 3.163 1.00 0.00 H new ATOM 278 N ASP A 21 -7.833 12.580 6.324 1.00 0.00 N ATOM 279 CA ASP A 21 -7.746 11.545 7.348 1.00 0.00 C ATOM 280 C ASP A 21 -7.695 10.157 6.715 1.00 0.00 C ATOM 281 O ASP A 21 -6.938 9.292 7.154 1.00 0.00 O ATOM 282 CB ASP A 21 -8.938 11.640 8.302 1.00 0.00 C ATOM 283 CG ASP A 21 -10.221 11.127 7.679 1.00 0.00 C ATOM 284 OD1 ASP A 21 -10.830 11.868 6.879 1.00 0.00 O ATOM 285 OD2 ASP A 21 -10.617 9.984 7.992 1.00 0.00 O ATOM 0 H ASP A 21 -8.391 13.391 6.590 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.826 11.702 7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.723 11.069 9.205 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.075 12.678 8.606 1.00 0.00 H new ATOM 290 N ASP A 22 -8.506 9.953 5.683 1.00 0.00 N ATOM 291 CA ASP A 22 -8.554 8.671 4.990 1.00 0.00 C ATOM 292 C ASP A 22 -7.163 8.256 4.519 1.00 0.00 C ATOM 293 O ASP A 22 -6.692 7.164 4.834 1.00 0.00 O ATOM 294 CB ASP A 22 -9.508 8.748 3.797 1.00 0.00 C ATOM 295 CG ASP A 22 -10.129 7.405 3.465 1.00 0.00 C ATOM 296 OD1 ASP A 22 -9.376 6.416 3.350 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.368 7.343 3.320 1.00 0.00 O ATOM 0 H ASP A 22 -9.139 10.659 5.308 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.920 7.920 5.690 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.298 9.467 4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.968 9.120 2.927 1.00 0.00 H new ATOM 302 N GLU A 23 -6.514 9.135 3.762 1.00 0.00 N ATOM 303 CA GLU A 23 -5.178 8.858 3.246 1.00 0.00 C ATOM 304 C GLU A 23 -4.233 8.451 4.373 1.00 0.00 C ATOM 305 O GLU A 23 -4.610 8.454 5.546 1.00 0.00 O ATOM 306 CB GLU A 23 -4.623 10.085 2.519 1.00 0.00 C ATOM 307 CG GLU A 23 -5.628 10.750 1.593 1.00 0.00 C ATOM 308 CD GLU A 23 -6.475 9.746 0.835 1.00 0.00 C ATOM 309 OE1 GLU A 23 -7.352 9.116 1.461 1.00 0.00 O ATOM 310 OE2 GLU A 23 -6.260 9.592 -0.386 1.00 0.00 O ATOM 0 H GLU A 23 -6.891 10.044 3.493 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.253 8.030 2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.285 10.812 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.748 9.789 1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.278 11.402 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.098 11.383 0.882 1.00 0.00 H new ATOM 317 N LEU A 24 -3.005 8.101 4.010 1.00 0.00 N ATOM 318 CA LEU A 24 -2.005 7.690 4.989 1.00 0.00 C ATOM 319 C LEU A 24 -0.754 8.557 4.887 1.00 0.00 C ATOM 320 O LEU A 24 -0.407 9.042 3.809 1.00 0.00 O ATOM 321 CB LEU A 24 -1.638 6.219 4.787 1.00 0.00 C ATOM 322 CG LEU A 24 -0.357 5.746 5.475 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.660 5.237 6.875 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.325 4.665 4.648 1.00 0.00 C ATOM 0 H LEU A 24 -2.677 8.093 3.044 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.433 7.818 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.466 5.606 5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.542 6.033 3.717 1.00 0.00 H new ATOM 0 HG LEU A 24 0.322 6.594 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.264 4.905 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.103 6.039 7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.358 4.402 6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.235 4.340 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.349 3.816 4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.578 5.064 3.666 1.00 0.00 H new ATOM 336 N THR A 25 -0.077 8.747 6.015 1.00 0.00 N ATOM 337 CA THR A 25 1.136 9.554 6.052 1.00 0.00 C ATOM 338 C THR A 25 2.381 8.680 5.962 1.00 0.00 C ATOM 339 O THR A 25 2.534 7.720 6.719 1.00 0.00 O ATOM 340 CB THR A 25 1.209 10.400 7.338 1.00 0.00 C ATOM 341 OG1 THR A 25 -0.005 11.141 7.507 1.00 0.00 O ATOM 342 CG2 THR A 25 2.391 11.356 7.290 1.00 0.00 C ATOM 0 H THR A 25 -0.349 8.353 6.916 1.00 0.00 H new ATOM 0 HA THR A 25 1.099 10.219 5.189 1.00 0.00 H new ATOM 0 HB THR A 25 1.342 9.725 8.184 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.049 11.675 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.422 11.943 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.315 10.787 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.284 12.025 6.436 1.00 0.00 H new ATOM 350 N ILE A 26 3.268 9.017 5.032 1.00 0.00 N ATOM 351 CA ILE A 26 4.502 8.262 4.844 1.00 0.00 C ATOM 352 C ILE A 26 5.709 9.191 4.774 1.00 0.00 C ATOM 353 O ILE A 26 5.593 10.348 4.370 1.00 0.00 O ATOM 354 CB ILE A 26 4.449 7.408 3.564 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.294 8.303 2.333 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.309 6.404 3.643 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.380 7.551 1.024 1.00 0.00 C ATOM 0 H ILE A 26 3.156 9.807 4.397 1.00 0.00 H new ATOM 0 HA ILE A 26 4.604 7.603 5.706 1.00 0.00 H new ATOM 0 HB ILE A 26 5.386 6.858 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.334 8.816 2.385 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.067 9.071 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.285 5.808 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.460 5.749 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.364 6.935 3.754 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.262 8.249 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.350 7.060 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.590 6.801 0.983 1.00 0.00 H new ATOM 369 N LYS A 27 6.869 8.675 5.167 1.00 0.00 N ATOM 370 CA LYS A 27 8.100 9.456 5.146 1.00 0.00 C ATOM 371 C LYS A 27 9.230 8.672 4.488 1.00 0.00 C ATOM 372 O LYS A 27 9.156 7.450 4.358 1.00 0.00 O ATOM 373 CB LYS A 27 8.501 9.853 6.568 1.00 0.00 C ATOM 374 CG LYS A 27 7.517 10.797 7.237 1.00 0.00 C ATOM 375 CD LYS A 27 7.612 12.200 6.661 1.00 0.00 C ATOM 376 CE LYS A 27 6.734 13.178 7.427 1.00 0.00 C ATOM 377 NZ LYS A 27 7.209 13.373 8.824 1.00 0.00 N ATOM 0 H LYS A 27 6.982 7.719 5.504 1.00 0.00 H new ATOM 0 HA LYS A 27 7.919 10.358 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.597 8.952 7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.483 10.325 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.503 10.418 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.713 10.829 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.648 12.538 6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.313 12.185 5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.723 14.138 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.708 12.811 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.769 14.226 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.947 12.547 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.243 13.483 8.827 1.00 0.00 H new ATOM 391 N GLU A 28 10.276 9.382 4.075 1.00 0.00 N ATOM 392 CA GLU A 28 11.422 8.750 3.431 1.00 0.00 C ATOM 393 C GLU A 28 12.070 7.726 4.358 1.00 0.00 C ATOM 394 O GLU A 28 12.425 8.038 5.494 1.00 0.00 O ATOM 395 CB GLU A 28 12.450 9.806 3.021 1.00 0.00 C ATOM 396 CG GLU A 28 13.462 9.307 2.003 1.00 0.00 C ATOM 397 CD GLU A 28 14.238 10.434 1.351 1.00 0.00 C ATOM 398 OE1 GLU A 28 13.625 11.479 1.048 1.00 0.00 O ATOM 399 OE2 GLU A 28 15.459 10.272 1.143 1.00 0.00 O ATOM 0 H GLU A 28 10.353 10.394 4.175 1.00 0.00 H new ATOM 0 HA GLU A 28 11.067 8.233 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.927 10.669 2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.980 10.149 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.159 8.627 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.945 8.734 1.233 1.00 0.00 H new ATOM 406 N GLY A 29 12.221 6.501 3.864 1.00 0.00 N ATOM 407 CA GLY A 29 12.826 5.449 4.660 1.00 0.00 C ATOM 408 C GLY A 29 11.811 4.709 5.509 1.00 0.00 C ATOM 409 O GLY A 29 12.044 4.463 6.693 1.00 0.00 O ATOM 0 H GLY A 29 11.935 6.218 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.328 4.742 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.590 5.880 5.306 1.00 0.00 H new ATOM 413 N ASP A 30 10.683 4.355 4.905 1.00 0.00 N ATOM 414 CA ASP A 30 9.628 3.639 5.614 1.00 0.00 C ATOM 415 C ASP A 30 8.899 2.679 4.679 1.00 0.00 C ATOM 416 O ASP A 30 8.189 3.105 3.767 1.00 0.00 O ATOM 417 CB ASP A 30 8.635 4.627 6.227 1.00 0.00 C ATOM 418 CG ASP A 30 9.309 5.639 7.133 1.00 0.00 C ATOM 419 OD1 ASP A 30 9.646 5.277 8.280 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.500 6.792 6.694 1.00 0.00 O ATOM 0 H ASP A 30 10.475 4.552 3.926 1.00 0.00 H new ATOM 0 HA ASP A 30 10.090 3.058 6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.109 5.152 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.885 4.078 6.796 1.00 0.00 H new ATOM 425 N ILE A 31 9.080 1.384 4.910 1.00 0.00 N ATOM 426 CA ILE A 31 8.439 0.365 4.088 1.00 0.00 C ATOM 427 C ILE A 31 7.019 0.086 4.567 1.00 0.00 C ATOM 428 O ILE A 31 6.798 -0.251 5.730 1.00 0.00 O ATOM 429 CB ILE A 31 9.240 -0.951 4.097 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.616 -0.741 3.463 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.474 -2.042 3.364 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.642 -0.174 4.419 1.00 0.00 C ATOM 0 H ILE A 31 9.665 1.015 5.660 1.00 0.00 H new ATOM 0 HA ILE A 31 8.407 0.754 3.070 1.00 0.00 H new ATOM 0 HB ILE A 31 9.382 -1.265 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.978 -1.694 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.516 -0.069 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.053 -2.966 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.515 -2.207 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.304 -1.737 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.593 -0.052 3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.301 0.794 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.772 -0.855 5.260 1.00 0.00 H new ATOM 444 N VAL A 32 6.056 0.226 3.660 1.00 0.00 N ATOM 445 CA VAL A 32 4.656 -0.013 3.988 1.00 0.00 C ATOM 446 C VAL A 32 4.150 -1.294 3.335 1.00 0.00 C ATOM 447 O VAL A 32 4.204 -1.446 2.114 1.00 0.00 O ATOM 448 CB VAL A 32 3.766 1.163 3.543 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.307 0.879 3.863 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.223 2.455 4.203 1.00 0.00 C ATOM 0 H VAL A 32 6.221 0.504 2.692 1.00 0.00 H new ATOM 0 HA VAL A 32 4.598 -0.113 5.072 1.00 0.00 H new ATOM 0 HB VAL A 32 3.860 1.280 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.694 1.721 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.989 -0.023 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.191 0.735 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.584 3.276 3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.159 2.353 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.254 2.664 3.919 1.00 0.00 H new ATOM 460 N THR A 33 3.657 -2.216 4.156 1.00 0.00 N ATOM 461 CA THR A 33 3.141 -3.486 3.659 1.00 0.00 C ATOM 462 C THR A 33 1.869 -3.281 2.845 1.00 0.00 C ATOM 463 O THR A 33 0.818 -2.943 3.391 1.00 0.00 O ATOM 464 CB THR A 33 2.847 -4.463 4.813 1.00 0.00 C ATOM 465 OG1 THR A 33 4.040 -4.703 5.567 1.00 0.00 O ATOM 466 CG2 THR A 33 2.304 -5.780 4.281 1.00 0.00 C ATOM 0 H THR A 33 3.604 -2.107 5.169 1.00 0.00 H new ATOM 0 HA THR A 33 3.914 -3.913 3.020 1.00 0.00 H new ATOM 0 HB THR A 33 2.094 -4.012 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.641 -5.281 5.053 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.104 -6.454 5.114 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.380 -5.597 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.038 -6.234 3.615 1.00 0.00 H new ATOM 474 N LEU A 34 1.970 -3.489 1.537 1.00 0.00 N ATOM 475 CA LEU A 34 0.825 -3.328 0.646 1.00 0.00 C ATOM 476 C LEU A 34 -0.315 -4.256 1.052 1.00 0.00 C ATOM 477 O LEU A 34 -0.202 -5.477 0.947 1.00 0.00 O ATOM 478 CB LEU A 34 1.236 -3.609 -0.800 1.00 0.00 C ATOM 479 CG LEU A 34 0.468 -2.842 -1.877 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.747 -1.351 -1.773 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.831 -3.359 -3.261 1.00 0.00 C ATOM 0 H LEU A 34 2.832 -3.769 1.069 1.00 0.00 H new ATOM 0 HA LEU A 34 0.476 -2.298 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.297 -3.381 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.119 -4.676 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.598 -3.003 -1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.192 -0.822 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.436 -0.990 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.814 -1.170 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.275 -2.802 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.900 -3.229 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.578 -4.417 -3.332 1.00 0.00 H new ATOM 493 N ILE A 35 -1.414 -3.668 1.513 1.00 0.00 N ATOM 494 CA ILE A 35 -2.576 -4.442 1.931 1.00 0.00 C ATOM 495 C ILE A 35 -3.409 -4.874 0.730 1.00 0.00 C ATOM 496 O ILE A 35 -3.612 -6.066 0.499 1.00 0.00 O ATOM 497 CB ILE A 35 -3.468 -3.641 2.899 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.684 -3.268 4.159 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.710 -4.441 3.259 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.232 -4.464 4.966 1.00 0.00 C ATOM 0 H ILE A 35 -1.524 -2.658 1.606 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.198 -5.326 2.445 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.782 -2.722 2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.811 -2.682 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.305 -2.630 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.330 -3.862 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.276 -4.661 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.415 -5.375 3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.683 -4.124 5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.102 -5.039 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.585 -5.092 4.354 1.00 0.00 H new ATOM 512 N ASN A 36 -3.889 -3.898 -0.033 1.00 0.00 N ATOM 513 CA ASN A 36 -4.700 -4.177 -1.213 1.00 0.00 C ATOM 514 C ASN A 36 -4.343 -3.231 -2.355 1.00 0.00 C ATOM 515 O ASN A 36 -4.084 -2.048 -2.138 1.00 0.00 O ATOM 516 CB ASN A 36 -6.187 -4.050 -0.877 1.00 0.00 C ATOM 517 CG ASN A 36 -6.720 -5.265 -0.142 1.00 0.00 C ATOM 518 OD1 ASN A 36 -6.375 -6.401 -0.466 1.00 0.00 O ATOM 519 ND2 ASN A 36 -7.566 -5.029 0.855 1.00 0.00 N ATOM 0 H ASN A 36 -3.731 -2.906 0.144 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.492 -5.198 -1.532 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.344 -3.161 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.754 -3.908 -1.797 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.957 -5.807 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.824 -4.070 1.089 1.00 0.00 H new ATOM 526 N LYS A 37 -4.331 -3.762 -3.573 1.00 0.00 N ATOM 527 CA LYS A 37 -4.007 -2.967 -4.752 1.00 0.00 C ATOM 528 C LYS A 37 -5.101 -1.941 -5.033 1.00 0.00 C ATOM 529 O LYS A 37 -6.203 -2.031 -4.492 1.00 0.00 O ATOM 530 CB LYS A 37 -3.820 -3.874 -5.970 1.00 0.00 C ATOM 531 CG LYS A 37 -2.590 -4.761 -5.884 1.00 0.00 C ATOM 532 CD LYS A 37 -2.098 -5.168 -7.263 1.00 0.00 C ATOM 533 CE LYS A 37 -0.666 -5.678 -7.216 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.606 -7.138 -6.932 1.00 0.00 N ATOM 0 H LYS A 37 -4.542 -4.740 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.075 -2.436 -4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.703 -4.502 -6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.750 -3.256 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.796 -4.234 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.823 -5.653 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.748 -5.943 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.160 -4.315 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.176 -5.473 -8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.112 -5.136 -6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.387 -7.447 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.051 -7.331 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.112 -7.658 -7.677 1.00 0.00 H new ATOM 548 N ASP A 38 -4.789 -0.968 -5.881 1.00 0.00 N ATOM 549 CA ASP A 38 -5.746 0.074 -6.236 1.00 0.00 C ATOM 550 C ASP A 38 -6.437 -0.250 -7.557 1.00 0.00 C ATOM 551 O ASP A 38 -5.952 -1.070 -8.338 1.00 0.00 O ATOM 552 CB ASP A 38 -5.044 1.430 -6.332 1.00 0.00 C ATOM 553 CG ASP A 38 -6.024 2.586 -6.381 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.470 3.031 -5.303 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.342 3.046 -7.497 1.00 0.00 O ATOM 0 H ASP A 38 -3.880 -0.879 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.503 0.120 -5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.382 1.555 -5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.418 1.450 -7.224 1.00 0.00 H new ATOM 560 N CYS A 39 -7.571 0.398 -7.799 1.00 0.00 N ATOM 561 CA CYS A 39 -8.330 0.177 -9.025 1.00 0.00 C ATOM 562 C CYS A 39 -7.438 0.332 -10.253 1.00 0.00 C ATOM 563 O CYS A 39 -6.346 0.896 -10.171 1.00 0.00 O ATOM 564 CB CYS A 39 -9.503 1.155 -9.106 1.00 0.00 C ATOM 565 SG CYS A 39 -10.888 0.737 -8.022 1.00 0.00 S ATOM 0 H CYS A 39 -7.985 1.080 -7.163 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.716 -0.842 -9.005 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.147 2.154 -8.854 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.860 1.193 -10.135 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.829 1.623 -8.160 1.00 0.00 H new ATOM 571 N ILE A 40 -7.908 -0.174 -11.387 1.00 0.00 N ATOM 572 CA ILE A 40 -7.153 -0.092 -12.631 1.00 0.00 C ATOM 573 C ILE A 40 -6.323 1.186 -12.688 1.00 0.00 C ATOM 574 O ILE A 40 -5.251 1.217 -13.291 1.00 0.00 O ATOM 575 CB ILE A 40 -8.082 -0.143 -13.859 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.990 -1.372 -13.788 1.00 0.00 C ATOM 577 CG2 ILE A 40 -7.264 -0.155 -15.141 1.00 0.00 C ATOM 578 CD1 ILE A 40 -10.300 -1.115 -13.075 1.00 0.00 C ATOM 0 H ILE A 40 -8.809 -0.645 -11.471 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.488 -0.955 -12.653 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.709 0.749 -13.860 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.198 -1.719 -14.800 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.460 -2.177 -13.278 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.934 -0.191 -16.000 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.656 0.748 -15.193 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.615 -1.031 -15.150 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.893 -2.030 -13.062 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.101 -0.797 -12.051 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.851 -0.333 -13.597 1.00 0.00 H new ATOM 590 N ASP A 41 -6.826 2.239 -12.053 1.00 0.00 N ATOM 591 CA ASP A 41 -6.131 3.521 -12.028 1.00 0.00 C ATOM 592 C ASP A 41 -4.863 3.435 -11.184 1.00 0.00 C ATOM 593 O ASP A 41 -4.908 3.054 -10.015 1.00 0.00 O ATOM 594 CB ASP A 41 -7.050 4.614 -11.480 1.00 0.00 C ATOM 595 CG ASP A 41 -8.314 4.773 -12.301 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.260 4.534 -13.526 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.358 5.138 -11.720 1.00 0.00 O ATOM 0 H ASP A 41 -7.713 2.230 -11.549 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.850 3.773 -13.050 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.317 4.378 -10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.511 5.561 -11.460 1.00 0.00 H new ATOM 602 N VAL A 42 -3.732 3.790 -11.786 1.00 0.00 N ATOM 603 CA VAL A 42 -2.451 3.753 -11.090 1.00 0.00 C ATOM 604 C VAL A 42 -2.170 5.076 -10.387 1.00 0.00 C ATOM 605 O VAL A 42 -2.683 6.122 -10.781 1.00 0.00 O ATOM 606 CB VAL A 42 -1.295 3.443 -12.059 1.00 0.00 C ATOM 607 CG1 VAL A 42 0.033 3.429 -11.319 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.534 2.118 -12.767 1.00 0.00 C ATOM 0 H VAL A 42 -3.677 4.106 -12.754 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.516 2.957 -10.348 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.255 4.229 -12.813 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.838 3.208 -12.020 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.206 4.404 -10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.009 2.665 -10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.707 1.915 -13.448 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.601 1.318 -12.029 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.465 2.170 -13.332 1.00 0.00 H new ATOM 618 N GLY A 43 -1.349 5.021 -9.342 1.00 0.00 N ATOM 619 CA GLY A 43 -1.013 6.222 -8.599 1.00 0.00 C ATOM 620 C GLY A 43 -1.484 6.165 -7.160 1.00 0.00 C ATOM 621 O GLY A 43 -1.068 6.974 -6.331 1.00 0.00 O ATOM 0 H GLY A 43 -0.911 4.167 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.067 6.367 -8.619 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.460 7.086 -9.090 1.00 0.00 H new ATOM 625 N TRP A 44 -2.354 5.207 -6.862 1.00 0.00 N ATOM 626 CA TRP A 44 -2.883 5.049 -5.512 1.00 0.00 C ATOM 627 C TRP A 44 -2.669 3.626 -5.006 1.00 0.00 C ATOM 628 O TRP A 44 -2.574 2.686 -5.795 1.00 0.00 O ATOM 629 CB TRP A 44 -4.373 5.394 -5.482 1.00 0.00 C ATOM 630 CG TRP A 44 -4.678 6.756 -6.030 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.032 7.062 -7.313 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.654 7.994 -5.311 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.229 8.417 -7.435 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.004 9.010 -6.221 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.372 8.342 -3.988 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.079 10.350 -5.848 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.446 9.672 -3.619 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.798 10.662 -4.546 1.00 0.00 C ATOM 0 H TRP A 44 -2.708 4.528 -7.536 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.345 5.733 -4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -4.923 4.648 -6.055 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.732 5.335 -4.454 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.141 6.345 -8.114 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.499 8.902 -8.291 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.101 7.586 -3.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.349 11.115 -6.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.229 9.953 -2.599 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.849 11.692 -4.226 1.00 0.00 H new ATOM 649 N TRP A 45 -2.593 3.476 -3.689 1.00 0.00 N ATOM 650 CA TRP A 45 -2.389 2.167 -3.079 1.00 0.00 C ATOM 651 C TRP A 45 -2.680 2.212 -1.583 1.00 0.00 C ATOM 652 O TRP A 45 -2.533 3.254 -0.945 1.00 0.00 O ATOM 653 CB TRP A 45 -0.957 1.687 -3.318 1.00 0.00 C ATOM 654 CG TRP A 45 -0.773 0.998 -4.636 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.742 0.395 -5.388 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.453 0.839 -5.357 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.190 -0.129 -6.532 1.00 0.00 N ATOM 658 CE2 TRP A 45 0.155 0.130 -6.537 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.775 1.228 -5.121 1.00 0.00 C ATOM 660 CZ2 TRP A 45 1.129 -0.197 -7.476 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.741 0.902 -6.054 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.415 0.196 -7.220 1.00 0.00 C ATOM 0 H TRP A 45 -2.670 4.244 -3.023 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.082 1.466 -3.544 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.282 2.541 -3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.672 1.005 -2.517 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.787 0.339 -5.122 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.700 -0.630 -7.260 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.036 1.773 -4.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.879 -0.741 -8.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.766 1.197 -5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.193 -0.042 -7.930 1.00 0.00 H new ATOM 673 N GLU A 46 -3.094 1.076 -1.031 1.00 0.00 N ATOM 674 CA GLU A 46 -3.406 0.988 0.391 1.00 0.00 C ATOM 675 C GLU A 46 -2.418 0.073 1.109 1.00 0.00 C ATOM 676 O GLU A 46 -2.253 -1.090 0.742 1.00 0.00 O ATOM 677 CB GLU A 46 -4.833 0.474 0.592 1.00 0.00 C ATOM 678 CG GLU A 46 -5.498 1.002 1.852 1.00 0.00 C ATOM 679 CD GLU A 46 -6.871 0.401 2.082 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.009 -0.833 1.946 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.808 1.164 2.398 1.00 0.00 O ATOM 0 H GLU A 46 -3.221 0.205 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.324 1.988 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.436 0.754 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.816 -0.615 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.863 0.787 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.587 2.086 1.785 1.00 0.00 H new ATOM 688 N GLY A 47 -1.763 0.607 2.136 1.00 0.00 N ATOM 689 CA GLY A 47 -0.800 -0.174 2.889 1.00 0.00 C ATOM 690 C GLY A 47 -0.933 0.028 4.385 1.00 0.00 C ATOM 691 O GLY A 47 -1.627 0.939 4.835 1.00 0.00 O ATOM 0 H GLY A 47 -1.883 1.567 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.931 -1.230 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.208 0.099 2.577 1.00 0.00 H new ATOM 695 N GLU A 48 -0.266 -0.824 5.157 1.00 0.00 N ATOM 696 CA GLU A 48 -0.315 -0.735 6.612 1.00 0.00 C ATOM 697 C GLU A 48 1.023 -0.263 7.174 1.00 0.00 C ATOM 698 O GLU A 48 2.064 -0.874 6.926 1.00 0.00 O ATOM 699 CB GLU A 48 -0.684 -2.091 7.216 1.00 0.00 C ATOM 700 CG GLU A 48 -1.404 -1.988 8.550 1.00 0.00 C ATOM 701 CD GLU A 48 -0.450 -1.803 9.715 1.00 0.00 C ATOM 702 OE1 GLU A 48 0.034 -0.669 9.912 1.00 0.00 O ATOM 703 OE2 GLU A 48 -0.189 -2.793 10.430 1.00 0.00 O ATOM 0 H GLU A 48 0.314 -1.583 4.800 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.080 -0.006 6.880 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.316 -2.633 6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.224 -2.680 7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.101 -1.150 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.996 -2.889 8.710 1.00 0.00 H new ATOM 710 N LEU A 49 0.988 0.828 7.931 1.00 0.00 N ATOM 711 CA LEU A 49 2.198 1.384 8.528 1.00 0.00 C ATOM 712 C LEU A 49 1.950 1.796 9.976 1.00 0.00 C ATOM 713 O LEU A 49 1.103 2.643 10.254 1.00 0.00 O ATOM 714 CB LEU A 49 2.682 2.589 7.719 1.00 0.00 C ATOM 715 CG LEU A 49 3.894 3.332 8.283 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.122 2.434 8.275 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.156 4.603 7.489 1.00 0.00 C ATOM 0 H LEU A 49 0.136 1.345 8.146 1.00 0.00 H new ATOM 0 HA LEU A 49 2.968 0.613 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.924 2.251 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.857 3.296 7.629 1.00 0.00 H new ATOM 0 HG LEU A 49 3.679 3.609 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.974 2.980 8.680 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.932 1.552 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.341 2.126 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.022 5.119 7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.351 4.348 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.284 5.254 7.546 1.00 0.00 H new ATOM 729 N ASN A 50 2.698 1.191 10.893 1.00 0.00 N ATOM 730 CA ASN A 50 2.561 1.496 12.313 1.00 0.00 C ATOM 731 C ASN A 50 1.123 1.286 12.778 1.00 0.00 C ATOM 732 O ASN A 50 0.591 2.073 13.560 1.00 0.00 O ATOM 733 CB ASN A 50 2.993 2.937 12.591 1.00 0.00 C ATOM 734 CG ASN A 50 4.500 3.082 12.678 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.220 2.100 12.860 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.985 4.312 12.547 1.00 0.00 N ATOM 0 H ASN A 50 3.405 0.487 10.679 1.00 0.00 H new ATOM 0 HA ASN A 50 3.207 0.817 12.869 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.613 3.586 11.802 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.544 3.274 13.525 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.991 4.471 12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.351 5.097 12.397 1.00 0.00 H new ATOM 743 N GLY A 51 0.499 0.217 12.292 1.00 0.00 N ATOM 744 CA GLY A 51 -0.871 -0.078 12.669 1.00 0.00 C ATOM 745 C GLY A 51 -1.855 0.931 12.112 1.00 0.00 C ATOM 746 O GLY A 51 -2.781 1.353 12.805 1.00 0.00 O ATOM 0 H GLY A 51 0.918 -0.450 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.136 -1.074 12.314 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.950 -0.096 13.756 1.00 0.00 H new ATOM 750 N ARG A 52 -1.656 1.320 10.857 1.00 0.00 N ATOM 751 CA ARG A 52 -2.532 2.289 10.208 1.00 0.00 C ATOM 752 C ARG A 52 -2.792 1.899 8.756 1.00 0.00 C ATOM 753 O ARG A 52 -1.859 1.733 7.971 1.00 0.00 O ATOM 754 CB ARG A 52 -1.915 3.687 10.270 1.00 0.00 C ATOM 755 CG ARG A 52 -1.634 4.168 11.684 1.00 0.00 C ATOM 756 CD ARG A 52 -1.620 5.686 11.764 1.00 0.00 C ATOM 757 NE ARG A 52 -1.700 6.162 13.143 1.00 0.00 N ATOM 758 CZ ARG A 52 -0.643 6.294 13.937 1.00 0.00 C ATOM 759 NH1 ARG A 52 0.568 5.988 13.491 1.00 0.00 N ATOM 760 NH2 ARG A 52 -0.796 6.734 15.179 1.00 0.00 N ATOM 0 H ARG A 52 -0.896 0.979 10.269 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.483 2.296 10.740 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.984 3.689 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.587 4.393 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.392 3.774 12.361 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.673 3.776 12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.708 6.065 11.302 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.457 6.087 11.193 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.617 6.406 13.516 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.690 5.650 12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.378 6.090 14.103 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.726 6.971 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.016 6.835 15.788 1.00 0.00 H new ATOM 774 N ARG A 53 -4.067 1.755 8.407 1.00 0.00 N ATOM 775 CA ARG A 53 -4.450 1.383 7.051 1.00 0.00 C ATOM 776 C ARG A 53 -5.061 2.571 6.314 1.00 0.00 C ATOM 777 O ARG A 53 -6.188 2.976 6.594 1.00 0.00 O ATOM 778 CB ARG A 53 -5.444 0.221 7.079 1.00 0.00 C ATOM 779 CG ARG A 53 -4.802 -1.123 7.385 1.00 0.00 C ATOM 780 CD ARG A 53 -5.846 -2.172 7.735 1.00 0.00 C ATOM 781 NE ARG A 53 -5.290 -3.522 7.724 1.00 0.00 N ATOM 782 CZ ARG A 53 -6.032 -4.623 7.752 1.00 0.00 C ATOM 783 NH1 ARG A 53 -7.354 -4.534 7.793 1.00 0.00 N ATOM 784 NH2 ARG A 53 -5.452 -5.817 7.740 1.00 0.00 N ATOM 0 H ARG A 53 -4.851 1.890 9.045 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.551 1.070 6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.210 0.427 7.827 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.948 0.162 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.224 -1.456 6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.103 -1.013 8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.259 -1.958 8.721 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.671 -2.114 7.025 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.276 -3.625 7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.803 -3.618 7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.922 -5.381 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.435 -5.890 7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.023 -6.662 7.762 1.00 0.00 H new ATOM 798 N GLY A 54 -4.307 3.126 5.369 1.00 0.00 N ATOM 799 CA GLY A 54 -4.791 4.262 4.607 1.00 0.00 C ATOM 800 C GLY A 54 -4.258 4.278 3.188 1.00 0.00 C ATOM 801 O GLY A 54 -3.315 3.556 2.863 1.00 0.00 O ATOM 0 H GLY A 54 -3.371 2.809 5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.881 4.241 4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.501 5.184 5.111 1.00 0.00 H new ATOM 805 N VAL A 55 -4.865 5.101 2.338 1.00 0.00 N ATOM 806 CA VAL A 55 -4.446 5.206 0.946 1.00 0.00 C ATOM 807 C VAL A 55 -3.265 6.159 0.797 1.00 0.00 C ATOM 808 O VAL A 55 -3.170 7.162 1.504 1.00 0.00 O ATOM 809 CB VAL A 55 -5.600 5.693 0.048 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.727 4.673 0.026 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.105 7.048 0.520 1.00 0.00 C ATOM 0 H VAL A 55 -5.648 5.704 2.590 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.145 4.207 0.630 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.224 5.804 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.533 5.035 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.353 3.726 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.105 4.526 1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.920 7.377 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.465 6.965 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.293 7.774 0.478 1.00 0.00 H new ATOM 821 N PHE A 56 -2.365 5.837 -0.126 1.00 0.00 N ATOM 822 CA PHE A 56 -1.188 6.664 -0.368 1.00 0.00 C ATOM 823 C PHE A 56 -0.834 6.685 -1.852 1.00 0.00 C ATOM 824 O PHE A 56 -1.132 5.755 -2.601 1.00 0.00 O ATOM 825 CB PHE A 56 0.000 6.146 0.445 1.00 0.00 C ATOM 826 CG PHE A 56 0.417 4.751 0.075 1.00 0.00 C ATOM 827 CD1 PHE A 56 1.107 4.509 -1.101 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.117 3.682 0.904 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.493 3.227 -1.444 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.500 2.398 0.567 1.00 0.00 C ATOM 831 CZ PHE A 56 1.187 2.169 -0.609 1.00 0.00 C ATOM 0 H PHE A 56 -2.428 5.009 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.418 7.682 -0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.846 6.819 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.256 6.171 1.504 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.346 5.332 -1.758 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.422 3.854 1.824 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.033 3.052 -2.363 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.262 1.574 1.223 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.484 1.166 -0.876 1.00 0.00 H new ATOM 841 N PRO A 57 -0.182 7.773 -2.288 1.00 0.00 N ATOM 842 CA PRO A 57 0.228 7.943 -3.685 1.00 0.00 C ATOM 843 C PRO A 57 1.352 6.991 -4.080 1.00 0.00 C ATOM 844 O PRO A 57 2.497 7.159 -3.658 1.00 0.00 O ATOM 845 CB PRO A 57 0.713 9.394 -3.739 1.00 0.00 C ATOM 846 CG PRO A 57 1.128 9.707 -2.342 1.00 0.00 C ATOM 847 CD PRO A 57 0.206 8.921 -1.451 1.00 0.00 C ATOM 0 HA PRO A 57 -0.585 7.725 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.545 9.508 -4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.078 10.064 -4.076 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.168 9.427 -2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.048 10.775 -2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.707 8.601 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.661 9.510 -1.150 1.00 0.00 H new ATOM 855 N ASP A 58 1.018 5.993 -4.890 1.00 0.00 N ATOM 856 CA ASP A 58 2.001 5.015 -5.343 1.00 0.00 C ATOM 857 C ASP A 58 3.244 5.707 -5.892 1.00 0.00 C ATOM 858 O ASP A 58 4.369 5.360 -5.534 1.00 0.00 O ATOM 859 CB ASP A 58 1.392 4.108 -6.413 1.00 0.00 C ATOM 860 CG ASP A 58 2.435 3.555 -7.365 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.592 3.368 -6.934 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.094 3.309 -8.541 1.00 0.00 O ATOM 0 H ASP A 58 0.075 5.839 -5.247 1.00 0.00 H new ATOM 0 HA ASP A 58 2.295 4.408 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.870 3.282 -5.931 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.648 4.668 -6.979 1.00 0.00 H new ATOM 867 N ASN A 59 3.033 6.688 -6.764 1.00 0.00 N ATOM 868 CA ASN A 59 4.137 7.428 -7.364 1.00 0.00 C ATOM 869 C ASN A 59 5.189 7.779 -6.317 1.00 0.00 C ATOM 870 O ASN A 59 6.389 7.641 -6.556 1.00 0.00 O ATOM 871 CB ASN A 59 3.620 8.704 -8.031 1.00 0.00 C ATOM 872 CG ASN A 59 2.528 8.425 -9.046 1.00 0.00 C ATOM 873 OD1 ASN A 59 2.233 7.270 -9.354 1.00 0.00 O ATOM 874 ND2 ASN A 59 1.923 9.484 -9.571 1.00 0.00 N ATOM 0 H ASN A 59 2.108 6.989 -7.071 1.00 0.00 H new ATOM 0 HA ASN A 59 4.599 6.793 -8.119 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.238 9.381 -7.267 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.448 9.214 -8.523 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.181 9.358 -10.259 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.200 10.423 -9.286 1.00 0.00 H new ATOM 881 N PHE A 60 4.731 8.233 -5.155 1.00 0.00 N ATOM 882 CA PHE A 60 5.633 8.604 -4.070 1.00 0.00 C ATOM 883 C PHE A 60 6.476 7.411 -3.631 1.00 0.00 C ATOM 884 O PHE A 60 7.650 7.557 -3.292 1.00 0.00 O ATOM 885 CB PHE A 60 4.838 9.147 -2.881 1.00 0.00 C ATOM 886 CG PHE A 60 4.570 10.622 -2.961 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.742 11.137 -3.946 1.00 0.00 C ATOM 888 CD2 PHE A 60 5.146 11.495 -2.052 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.495 12.495 -4.023 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.902 12.854 -2.123 1.00 0.00 C ATOM 891 CZ PHE A 60 4.075 13.354 -3.109 1.00 0.00 C ATOM 0 H PHE A 60 3.741 8.353 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 60 6.302 9.383 -4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.888 8.616 -2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.384 8.935 -1.962 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.285 10.470 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.793 11.109 -1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.850 12.884 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.358 13.523 -1.408 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.882 14.415 -3.166 1.00 0.00 H new ATOM 901 N VAL A 61 5.868 6.229 -3.641 1.00 0.00 N ATOM 902 CA VAL A 61 6.562 5.009 -3.245 1.00 0.00 C ATOM 903 C VAL A 61 6.962 4.184 -4.463 1.00 0.00 C ATOM 904 O VAL A 61 6.615 4.520 -5.595 1.00 0.00 O ATOM 905 CB VAL A 61 5.689 4.144 -2.316 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.311 4.918 -1.063 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.447 3.662 -3.050 1.00 0.00 C ATOM 0 H VAL A 61 4.896 6.090 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 61 7.459 5.315 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 61 6.267 3.271 -2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.695 4.290 -0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.215 5.208 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.752 5.811 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.842 3.052 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.865 4.521 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.743 3.066 -3.914 1.00 0.00 H new ATOM 917 N LYS A 62 7.694 3.102 -4.222 1.00 0.00 N ATOM 918 CA LYS A 62 8.141 2.226 -5.299 1.00 0.00 C ATOM 919 C LYS A 62 8.044 0.761 -4.884 1.00 0.00 C ATOM 920 O LYS A 62 8.134 0.433 -3.700 1.00 0.00 O ATOM 921 CB LYS A 62 9.582 2.561 -5.692 1.00 0.00 C ATOM 922 CG LYS A 62 9.719 3.880 -6.432 1.00 0.00 C ATOM 923 CD LYS A 62 11.168 4.176 -6.780 1.00 0.00 C ATOM 924 CE LYS A 62 11.275 5.112 -7.975 1.00 0.00 C ATOM 925 NZ LYS A 62 11.287 6.542 -7.559 1.00 0.00 N ATOM 0 H LYS A 62 7.990 2.810 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 62 7.490 2.386 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.197 2.593 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.975 1.760 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.124 3.850 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.319 4.686 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.666 4.624 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.688 3.244 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.185 4.888 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.437 4.937 -8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.361 7.148 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.408 6.763 -7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.101 6.715 -6.935 1.00 0.00 H new ATOM 939 N LEU A 63 7.862 -0.116 -5.865 1.00 0.00 N ATOM 940 CA LEU A 63 7.754 -1.547 -5.602 1.00 0.00 C ATOM 941 C LEU A 63 9.134 -2.195 -5.542 1.00 0.00 C ATOM 942 O LEU A 63 9.909 -2.120 -6.497 1.00 0.00 O ATOM 943 CB LEU A 63 6.908 -2.222 -6.682 1.00 0.00 C ATOM 944 CG LEU A 63 5.408 -2.316 -6.398 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.129 -3.383 -5.351 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.865 -0.968 -5.947 1.00 0.00 C ATOM 0 H LEU A 63 7.786 0.139 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 63 7.269 -1.678 -4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.047 -1.679 -7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.292 -3.230 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 63 4.900 -2.599 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.057 -3.436 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.481 -4.349 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.649 -3.130 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.796 -1.054 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.378 -0.655 -5.038 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.031 -0.228 -6.730 1.00 0.00 H new ATOM 958 N LEU A 64 9.434 -2.832 -4.416 1.00 0.00 N ATOM 959 CA LEU A 64 10.720 -3.496 -4.232 1.00 0.00 C ATOM 960 C LEU A 64 10.726 -4.867 -4.902 1.00 0.00 C ATOM 961 O LEU A 64 11.522 -5.125 -5.804 1.00 0.00 O ATOM 962 CB LEU A 64 11.032 -3.642 -2.742 1.00 0.00 C ATOM 963 CG LEU A 64 11.017 -2.351 -1.923 1.00 0.00 C ATOM 964 CD1 LEU A 64 11.137 -2.659 -0.439 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.137 -1.423 -2.370 1.00 0.00 C ATOM 0 H LEU A 64 8.805 -2.903 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 64 11.489 -2.881 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.311 -4.333 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.015 -4.101 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 64 10.066 -1.847 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.125 -1.728 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.300 -3.284 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.073 -3.186 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.111 -0.509 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.098 -1.919 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.006 -1.175 -3.423 1.00 0.00 H new