USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 8 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.27) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 21 ASN : amide:sc= -0.968 K(o=-0.97,f=-2.7!) USER MOD Single : A 26 MET CE :methyl 171:sc= -0.999 (180deg=-1.31) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0353 K(o=-0.035,f=-1.8!) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 0.531 (180deg=-0.338!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0265 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.263 -10.679 -2.352 1.00 0.00 N ATOM 67 CA ASN A 8 3.093 -9.727 -1.623 1.00 0.00 C ATOM 68 C ASN A 8 2.235 -8.806 -0.760 1.00 0.00 C ATOM 69 O ASN A 8 1.343 -8.121 -1.261 1.00 0.00 O ATOM 70 CB ASN A 8 3.930 -8.896 -2.598 1.00 0.00 C ATOM 71 CG ASN A 8 4.708 -9.759 -3.573 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.126 -10.522 -4.345 1.00 0.00 O ATOM 73 ND2 ASN A 8 6.030 -9.642 -3.542 1.00 0.00 N ATOM 0 HA ASN A 8 3.760 -10.291 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.275 -8.225 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.624 -8.271 -2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.606 -10.197 -4.175 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.470 -8.997 -2.886 1.00 0.00 H new ATOM 80 N THR A 9 2.512 -8.795 0.540 1.00 0.00 N ATOM 81 CA THR A 9 1.766 -7.960 1.473 1.00 0.00 C ATOM 82 C THR A 9 2.637 -6.836 2.022 1.00 0.00 C ATOM 83 O THR A 9 3.856 -6.977 2.128 1.00 0.00 O ATOM 84 CB THR A 9 1.214 -8.787 2.649 1.00 0.00 C ATOM 85 OG1 THR A 9 2.252 -9.602 3.205 1.00 0.00 O ATOM 86 CG2 THR A 9 0.059 -9.668 2.196 1.00 0.00 C ATOM 0 H THR A 9 3.248 -9.355 0.971 1.00 0.00 H new ATOM 0 HA THR A 9 0.932 -7.532 0.917 1.00 0.00 H new ATOM 0 HB THR A 9 0.848 -8.097 3.409 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.893 -10.123 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.314 -10.243 3.044 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.742 -9.043 1.800 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.405 -10.350 1.419 1.00 0.00 H new ATOM 94 N TYR A 10 2.005 -5.721 2.370 1.00 0.00 N ATOM 95 CA TYR A 10 2.724 -4.571 2.907 1.00 0.00 C ATOM 96 C TYR A 10 1.915 -3.888 4.006 1.00 0.00 C ATOM 97 O TYR A 10 0.698 -3.736 3.894 1.00 0.00 O ATOM 98 CB TYR A 10 3.036 -3.572 1.792 1.00 0.00 C ATOM 99 CG TYR A 10 4.085 -4.060 0.818 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.807 -5.086 -0.076 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.353 -3.493 0.792 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.763 -5.535 -0.967 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.315 -3.935 -0.096 1.00 0.00 C ATOM 104 CZ TYR A 10 6.015 -4.956 -0.973 1.00 0.00 C ATOM 105 OH TYR A 10 6.969 -5.400 -1.860 1.00 0.00 O ATOM 0 H TYR A 10 0.997 -5.589 2.290 1.00 0.00 H new ATOM 0 HA TYR A 10 3.660 -4.928 3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.119 -3.352 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.373 -2.636 2.238 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.827 -5.540 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.591 -2.693 1.478 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.531 -6.335 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.296 -3.483 -0.103 1.00 0.00 H new ATOM 0 HH TYR A 10 7.795 -4.888 -1.736 1.00 0.00 H new ATOM 115 N VAL A 11 2.600 -3.477 5.068 1.00 0.00 N ATOM 116 CA VAL A 11 1.948 -2.808 6.187 1.00 0.00 C ATOM 117 C VAL A 11 2.208 -1.306 6.156 1.00 0.00 C ATOM 118 O VAL A 11 3.356 -0.864 6.158 1.00 0.00 O ATOM 119 CB VAL A 11 2.429 -3.373 7.536 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.915 -3.113 7.726 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.624 -2.776 8.681 1.00 0.00 C ATOM 0 H VAL A 11 3.607 -3.596 5.177 1.00 0.00 H new ATOM 0 HA VAL A 11 0.878 -2.991 6.086 1.00 0.00 H new ATOM 0 HB VAL A 11 2.271 -4.452 7.535 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.236 -3.520 8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.474 -3.593 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.102 -2.039 7.706 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.977 -3.186 9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.747 -1.693 8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.570 -3.020 8.551 1.00 0.00 H new ATOM 131 N ALA A 12 1.133 -0.525 6.130 1.00 0.00 N ATOM 132 CA ALA A 12 1.244 0.928 6.102 1.00 0.00 C ATOM 133 C ALA A 12 1.987 1.445 7.328 1.00 0.00 C ATOM 134 O ALA A 12 1.486 1.365 8.451 1.00 0.00 O ATOM 135 CB ALA A 12 -0.136 1.561 6.012 1.00 0.00 C ATOM 0 H ALA A 12 0.175 -0.875 6.128 1.00 0.00 H new ATOM 0 HA ALA A 12 1.817 1.207 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.038 2.646 5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.632 1.225 5.102 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.729 1.266 6.878 1.00 0.00 H new ATOM 141 N LEU A 13 3.185 1.976 7.108 1.00 0.00 N ATOM 142 CA LEU A 13 3.999 2.507 8.197 1.00 0.00 C ATOM 143 C LEU A 13 3.315 3.701 8.855 1.00 0.00 C ATOM 144 O LEU A 13 3.313 3.831 10.079 1.00 0.00 O ATOM 145 CB LEU A 13 5.377 2.916 7.677 1.00 0.00 C ATOM 146 CG LEU A 13 6.165 1.833 6.938 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.221 2.459 6.041 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.806 0.872 7.928 1.00 0.00 C ATOM 0 H LEU A 13 3.614 2.050 6.186 1.00 0.00 H new ATOM 0 HA LEU A 13 4.118 1.723 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.253 3.767 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.975 3.259 8.521 1.00 0.00 H new ATOM 0 HG LEU A 13 5.473 1.271 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.771 1.673 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.739 3.107 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.911 3.047 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.363 0.108 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.485 1.421 8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.030 0.397 8.529 1.00 0.00 H new ATOM 160 N TYR A 14 2.735 4.570 8.035 1.00 0.00 N ATOM 161 CA TYR A 14 2.048 5.754 8.537 1.00 0.00 C ATOM 162 C TYR A 14 0.799 6.049 7.713 1.00 0.00 C ATOM 163 O TYR A 14 0.582 5.457 6.656 1.00 0.00 O ATOM 164 CB TYR A 14 2.986 6.962 8.512 1.00 0.00 C ATOM 165 CG TYR A 14 4.442 6.602 8.700 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.224 6.203 7.623 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.036 6.658 9.955 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.555 5.873 7.790 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.367 6.331 10.131 1.00 0.00 C ATOM 170 CZ TYR A 14 7.122 5.938 9.046 1.00 0.00 C ATOM 171 OH TYR A 14 8.447 5.610 9.217 1.00 0.00 O ATOM 0 H TYR A 14 2.727 4.477 7.019 1.00 0.00 H new ATOM 0 HA TYR A 14 1.745 5.559 9.566 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.869 7.483 7.562 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.689 7.659 9.296 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.784 6.150 6.638 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.447 6.962 10.808 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.149 5.566 6.942 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.814 6.383 11.113 1.00 0.00 H new ATOM 0 HH TYR A 14 8.689 5.710 10.161 1.00 0.00 H new ATOM 181 N LYS A 15 -0.022 6.971 8.205 1.00 0.00 N ATOM 182 CA LYS A 15 -1.250 7.349 7.516 1.00 0.00 C ATOM 183 C LYS A 15 -0.948 8.237 6.313 1.00 0.00 C ATOM 184 O LYS A 15 -0.065 9.093 6.367 1.00 0.00 O ATOM 185 CB LYS A 15 -2.194 8.077 8.476 1.00 0.00 C ATOM 186 CG LYS A 15 -3.315 8.825 7.776 1.00 0.00 C ATOM 187 CD LYS A 15 -4.185 9.581 8.766 1.00 0.00 C ATOM 188 CE LYS A 15 -5.344 10.280 8.071 1.00 0.00 C ATOM 189 NZ LYS A 15 -6.307 10.861 9.046 1.00 0.00 N ATOM 0 H LYS A 15 0.141 7.471 9.079 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.733 6.439 7.161 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.627 7.352 9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.617 8.782 9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.892 9.524 7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.929 8.120 7.215 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.572 8.889 9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.580 10.317 9.296 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.958 11.070 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.863 9.570 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.082 11.328 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.695 10.104 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.818 11.558 9.644 1.00 0.00 H new ATOM 203 N PHE A 16 -1.687 8.028 5.229 1.00 0.00 N ATOM 204 CA PHE A 16 -1.498 8.810 4.013 1.00 0.00 C ATOM 205 C PHE A 16 -2.748 9.623 3.689 1.00 0.00 C ATOM 206 O PHE A 16 -3.872 9.160 3.887 1.00 0.00 O ATOM 207 CB PHE A 16 -1.156 7.891 2.838 1.00 0.00 C ATOM 208 CG PHE A 16 -0.823 8.631 1.574 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.819 8.970 0.672 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.484 8.989 1.289 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.515 9.651 -0.492 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.794 9.670 0.127 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.207 10.002 -0.764 1.00 0.00 C ATOM 0 H PHE A 16 -2.422 7.324 5.168 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.670 9.499 4.180 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.310 7.261 3.114 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.000 7.227 2.649 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.844 8.699 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.271 8.733 1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.300 9.908 -1.188 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.818 9.942 -0.084 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.032 10.535 -1.672 1.00 0.00 H new ATOM 223 N VAL A 17 -2.544 10.838 3.191 1.00 0.00 N ATOM 224 CA VAL A 17 -3.653 11.717 2.839 1.00 0.00 C ATOM 225 C VAL A 17 -3.673 12.004 1.342 1.00 0.00 C ATOM 226 O VAL A 17 -2.963 12.876 0.842 1.00 0.00 O ATOM 227 CB VAL A 17 -3.577 13.051 3.605 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.844 13.864 3.387 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.343 12.801 5.087 1.00 0.00 C ATOM 0 H VAL A 17 -1.620 11.237 3.022 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.569 11.198 3.119 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.734 13.625 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.773 14.803 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.964 14.073 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.705 13.299 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.292 13.754 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.164 12.208 5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.405 12.262 5.221 1.00 0.00 H new ATOM 239 N PRO A 18 -4.507 11.253 0.607 1.00 0.00 N ATOM 240 CA PRO A 18 -4.641 11.408 -0.845 1.00 0.00 C ATOM 241 C PRO A 18 -5.326 12.716 -1.227 1.00 0.00 C ATOM 242 O PRO A 18 -6.503 12.919 -0.932 1.00 0.00 O ATOM 243 CB PRO A 18 -5.507 10.213 -1.251 1.00 0.00 C ATOM 244 CG PRO A 18 -6.282 9.873 -0.026 1.00 0.00 C ATOM 245 CD PRO A 18 -5.383 10.194 1.136 1.00 0.00 C ATOM 0 HA PRO A 18 -3.672 11.438 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.168 10.467 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.894 9.373 -1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.205 10.450 0.024 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.564 8.820 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.951 10.537 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.812 9.322 1.455 1.00 0.00 H new ATOM 253 N GLN A 19 -4.581 13.599 -1.884 1.00 0.00 N ATOM 254 CA GLN A 19 -5.117 14.888 -2.305 1.00 0.00 C ATOM 255 C GLN A 19 -6.224 14.705 -3.339 1.00 0.00 C ATOM 256 O GLN A 19 -7.156 15.504 -3.411 1.00 0.00 O ATOM 257 CB GLN A 19 -4.004 15.763 -2.882 1.00 0.00 C ATOM 258 CG GLN A 19 -3.004 16.240 -1.842 1.00 0.00 C ATOM 259 CD GLN A 19 -3.414 17.548 -1.194 1.00 0.00 C ATOM 260 OE1 GLN A 19 -4.601 17.815 -1.005 1.00 0.00 O ATOM 261 NE2 GLN A 19 -2.432 18.372 -0.848 1.00 0.00 N ATOM 0 H GLN A 19 -3.605 13.445 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.540 15.381 -1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.475 15.202 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.450 16.630 -3.369 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.894 15.476 -1.072 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.028 16.362 -2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.462 18.111 -1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.648 19.266 -0.407 1.00 0.00 H new ATOM 270 N GLU A 20 -6.113 13.647 -4.137 1.00 0.00 N ATOM 271 CA GLU A 20 -7.104 13.361 -5.167 1.00 0.00 C ATOM 272 C GLU A 20 -7.504 11.888 -5.143 1.00 0.00 C ATOM 273 O GLU A 20 -6.767 11.042 -4.640 1.00 0.00 O ATOM 274 CB GLU A 20 -6.558 13.730 -6.548 1.00 0.00 C ATOM 275 CG GLU A 20 -6.631 15.217 -6.853 1.00 0.00 C ATOM 276 CD GLU A 20 -7.985 15.636 -7.392 1.00 0.00 C ATOM 277 OE1 GLU A 20 -8.545 14.899 -8.230 1.00 0.00 O ATOM 278 OE2 GLU A 20 -8.484 16.702 -6.974 1.00 0.00 O ATOM 0 H GLU A 20 -5.347 12.975 -4.090 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.989 13.964 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.520 13.404 -6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.116 13.184 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.415 15.781 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.860 15.473 -7.579 1.00 0.00 H new ATOM 285 N ASN A 21 -8.678 11.591 -5.691 1.00 0.00 N ATOM 286 CA ASN A 21 -9.178 10.222 -5.732 1.00 0.00 C ATOM 287 C ASN A 21 -8.076 9.253 -6.149 1.00 0.00 C ATOM 288 O ASN A 21 -7.842 8.242 -5.488 1.00 0.00 O ATOM 289 CB ASN A 21 -10.358 10.116 -6.699 1.00 0.00 C ATOM 290 CG ASN A 21 -10.956 8.723 -6.732 1.00 0.00 C ATOM 291 OD1 ASN A 21 -10.388 7.778 -6.183 1.00 0.00 O ATOM 292 ND2 ASN A 21 -12.109 8.589 -7.378 1.00 0.00 N ATOM 0 H ASN A 21 -9.301 12.280 -6.113 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.513 9.954 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.127 10.832 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.029 10.391 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.559 7.675 -7.434 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.544 9.400 -7.818 1.00 0.00 H new ATOM 299 N GLU A 22 -7.401 9.571 -7.249 1.00 0.00 N ATOM 300 CA GLU A 22 -6.324 8.728 -7.754 1.00 0.00 C ATOM 301 C GLU A 22 -5.505 8.144 -6.606 1.00 0.00 C ATOM 302 O GLU A 22 -5.248 6.941 -6.561 1.00 0.00 O ATOM 303 CB GLU A 22 -5.414 9.529 -8.688 1.00 0.00 C ATOM 304 CG GLU A 22 -6.141 10.129 -9.880 1.00 0.00 C ATOM 305 CD GLU A 22 -6.850 9.082 -10.718 1.00 0.00 C ATOM 306 OE1 GLU A 22 -6.160 8.198 -11.268 1.00 0.00 O ATOM 307 OE2 GLU A 22 -8.092 9.147 -10.823 1.00 0.00 O ATOM 0 H GLU A 22 -7.581 10.406 -7.807 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.773 7.906 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.941 10.331 -8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.616 8.880 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.868 10.860 -9.527 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.427 10.666 -10.504 1.00 0.00 H new ATOM 314 N ASP A 23 -5.099 9.006 -5.680 1.00 0.00 N ATOM 315 CA ASP A 23 -4.310 8.577 -4.531 1.00 0.00 C ATOM 316 C ASP A 23 -5.133 7.681 -3.610 1.00 0.00 C ATOM 317 O ASP A 23 -6.361 7.639 -3.702 1.00 0.00 O ATOM 318 CB ASP A 23 -3.798 9.792 -3.755 1.00 0.00 C ATOM 319 CG ASP A 23 -2.777 10.592 -4.541 1.00 0.00 C ATOM 320 OD1 ASP A 23 -1.572 10.283 -4.433 1.00 0.00 O ATOM 321 OD2 ASP A 23 -3.182 11.527 -5.262 1.00 0.00 O ATOM 0 H ASP A 23 -5.303 10.005 -5.703 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.459 8.005 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.639 10.435 -3.497 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.352 9.459 -2.818 1.00 0.00 H new ATOM 326 N LEU A 24 -4.450 6.965 -2.725 1.00 0.00 N ATOM 327 CA LEU A 24 -5.117 6.068 -1.788 1.00 0.00 C ATOM 328 C LEU A 24 -4.810 6.460 -0.346 1.00 0.00 C ATOM 329 O LEU A 24 -3.682 6.828 -0.020 1.00 0.00 O ATOM 330 CB LEU A 24 -4.684 4.622 -2.039 1.00 0.00 C ATOM 331 CG LEU A 24 -4.675 3.703 -0.817 1.00 0.00 C ATOM 332 CD1 LEU A 24 -6.095 3.348 -0.405 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.871 2.443 -1.104 1.00 0.00 C ATOM 0 H LEU A 24 -3.434 6.988 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.192 6.151 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.347 4.190 -2.789 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.682 4.633 -2.468 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.201 4.233 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.068 2.693 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.641 4.259 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.595 2.837 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.875 1.800 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.317 1.910 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.844 2.715 -1.350 1.00 0.00 H new ATOM 345 N GLU A 25 -5.821 6.376 0.513 1.00 0.00 N ATOM 346 CA GLU A 25 -5.658 6.721 1.920 1.00 0.00 C ATOM 347 C GLU A 25 -5.421 5.471 2.763 1.00 0.00 C ATOM 348 O GLU A 25 -6.215 4.532 2.735 1.00 0.00 O ATOM 349 CB GLU A 25 -6.892 7.468 2.432 1.00 0.00 C ATOM 350 CG GLU A 25 -6.804 7.855 3.898 1.00 0.00 C ATOM 351 CD GLU A 25 -7.673 9.050 4.239 1.00 0.00 C ATOM 352 OE1 GLU A 25 -8.684 9.268 3.540 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.342 9.767 5.207 1.00 0.00 O ATOM 0 H GLU A 25 -6.761 6.072 0.259 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.787 7.370 2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.035 8.369 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.773 6.843 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.103 7.006 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.768 8.081 4.149 1.00 0.00 H new ATOM 360 N MET A 26 -4.322 5.469 3.510 1.00 0.00 N ATOM 361 CA MET A 26 -3.980 4.335 4.362 1.00 0.00 C ATOM 362 C MET A 26 -3.695 4.793 5.788 1.00 0.00 C ATOM 363 O MET A 26 -3.565 5.988 6.052 1.00 0.00 O ATOM 364 CB MET A 26 -2.765 3.595 3.798 1.00 0.00 C ATOM 365 CG MET A 26 -1.798 4.497 3.049 1.00 0.00 C ATOM 366 SD MET A 26 -0.523 3.572 2.172 1.00 0.00 S ATOM 367 CE MET A 26 0.908 4.608 2.464 1.00 0.00 C ATOM 0 H MET A 26 -3.653 6.239 3.543 1.00 0.00 H new ATOM 0 HA MET A 26 -4.833 3.656 4.382 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.235 3.108 4.616 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.109 2.808 3.127 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.354 5.107 2.337 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.325 5.181 3.754 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.806 4.093 2.123 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.797 5.544 1.917 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.993 4.818 3.530 1.00 0.00 H new ATOM 377 N ARG A 27 -3.599 3.835 6.705 1.00 0.00 N ATOM 378 CA ARG A 27 -3.331 4.141 8.105 1.00 0.00 C ATOM 379 C ARG A 27 -2.202 3.268 8.645 1.00 0.00 C ATOM 380 O ARG A 27 -1.882 2.213 8.096 1.00 0.00 O ATOM 381 CB ARG A 27 -4.594 3.938 8.944 1.00 0.00 C ATOM 382 CG ARG A 27 -5.511 5.150 8.967 1.00 0.00 C ATOM 383 CD ARG A 27 -6.850 4.823 9.609 1.00 0.00 C ATOM 384 NE ARG A 27 -7.695 6.007 9.746 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.819 6.029 10.453 1.00 0.00 C ATOM 386 NH1 ARG A 27 -9.231 4.938 11.084 1.00 0.00 N ATOM 387 NH2 ARG A 27 -9.533 7.145 10.531 1.00 0.00 N ATOM 0 H ARG A 27 -3.703 2.841 6.503 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.023 5.185 8.171 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.146 3.083 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.306 3.692 9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.031 5.960 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.671 5.506 7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.368 4.076 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.683 4.381 10.591 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.406 6.863 9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.684 4.079 11.027 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.095 4.958 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.219 7.986 10.048 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.396 7.161 11.074 1.00 0.00 H new ATOM 401 N PRO A 28 -1.584 3.716 9.748 1.00 0.00 N ATOM 402 CA PRO A 28 -0.481 2.991 10.387 1.00 0.00 C ATOM 403 C PRO A 28 -0.946 1.700 11.053 1.00 0.00 C ATOM 404 O PRO A 28 -1.506 1.722 12.148 1.00 0.00 O ATOM 405 CB PRO A 28 0.032 3.979 11.436 1.00 0.00 C ATOM 406 CG PRO A 28 -1.137 4.852 11.739 1.00 0.00 C ATOM 407 CD PRO A 28 -1.913 4.964 10.456 1.00 0.00 C ATOM 0 HA PRO A 28 0.276 2.683 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.382 3.462 12.329 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.872 4.560 11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.751 4.422 12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.812 5.833 12.086 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.984 5.051 10.640 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.616 5.842 9.882 1.00 0.00 H new ATOM 415 N GLY A 29 -0.707 0.575 10.385 1.00 0.00 N ATOM 416 CA GLY A 29 -1.108 -0.709 10.928 1.00 0.00 C ATOM 417 C GLY A 29 -2.086 -1.440 10.030 1.00 0.00 C ATOM 418 O GLY A 29 -2.659 -2.456 10.422 1.00 0.00 O ATOM 0 H GLY A 29 -0.243 0.531 9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.224 -1.329 11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.561 -0.560 11.908 1.00 0.00 H new ATOM 422 N ASP A 30 -2.279 -0.920 8.823 1.00 0.00 N ATOM 423 CA ASP A 30 -3.196 -1.529 7.866 1.00 0.00 C ATOM 424 C ASP A 30 -2.429 -2.216 6.740 1.00 0.00 C ATOM 425 O ASP A 30 -1.391 -1.727 6.294 1.00 0.00 O ATOM 426 CB ASP A 30 -4.138 -0.473 7.287 1.00 0.00 C ATOM 427 CG ASP A 30 -5.281 -0.140 8.225 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.075 0.679 9.146 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.383 -0.697 8.039 1.00 0.00 O ATOM 0 H ASP A 30 -1.813 -0.078 8.484 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.785 -2.281 8.392 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.573 0.434 7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.542 -0.831 6.340 1.00 0.00 H new ATOM 434 N ILE A 31 -2.947 -3.353 6.286 1.00 0.00 N ATOM 435 CA ILE A 31 -2.311 -4.107 5.213 1.00 0.00 C ATOM 436 C ILE A 31 -2.679 -3.537 3.848 1.00 0.00 C ATOM 437 O ILE A 31 -3.781 -3.022 3.656 1.00 0.00 O ATOM 438 CB ILE A 31 -2.706 -5.595 5.260 1.00 0.00 C ATOM 439 CG1 ILE A 31 -2.088 -6.271 6.486 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.269 -6.299 3.984 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.884 -5.332 7.654 1.00 0.00 C ATOM 0 H ILE A 31 -3.805 -3.772 6.645 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.235 -4.021 5.361 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.791 -5.666 5.338 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.730 -7.094 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.128 -6.705 6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.555 -7.350 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.752 -5.830 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.187 -6.222 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.443 -5.879 8.487 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.217 -4.522 7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.845 -4.918 7.960 1.00 0.00 H new ATOM 453 N ILE A 32 -1.751 -3.634 2.902 1.00 0.00 N ATOM 454 CA ILE A 32 -1.979 -3.131 1.553 1.00 0.00 C ATOM 455 C ILE A 32 -1.625 -4.182 0.507 1.00 0.00 C ATOM 456 O ILE A 32 -0.459 -4.546 0.346 1.00 0.00 O ATOM 457 CB ILE A 32 -1.159 -1.855 1.282 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.667 -0.702 2.149 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.226 -1.487 -0.192 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.975 -0.603 3.490 1.00 0.00 C ATOM 0 H ILE A 32 -0.834 -4.057 3.045 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.040 -2.893 1.480 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.118 -2.047 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.531 0.235 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.738 -0.824 2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.642 -0.584 -0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.821 -2.303 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.263 -1.310 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.386 0.237 4.050 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.133 -1.525 4.050 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.093 -0.449 3.338 1.00 0.00 H new ATOM 472 N THR A 33 -2.638 -4.666 -0.204 1.00 0.00 N ATOM 473 CA THR A 33 -2.434 -5.675 -1.236 1.00 0.00 C ATOM 474 C THR A 33 -1.782 -5.071 -2.474 1.00 0.00 C ATOM 475 O THR A 33 -2.433 -4.377 -3.256 1.00 0.00 O ATOM 476 CB THR A 33 -3.764 -6.339 -1.643 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.400 -6.907 -0.493 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.531 -7.421 -2.686 1.00 0.00 C ATOM 0 H THR A 33 -3.608 -4.376 -0.084 1.00 0.00 H new ATOM 0 HA THR A 33 -1.773 -6.431 -0.812 1.00 0.00 H new ATOM 0 HB THR A 33 -4.410 -5.574 -2.074 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.245 -7.325 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.484 -7.876 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.073 -6.980 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.869 -8.184 -2.277 1.00 0.00 H new ATOM 486 N LEU A 34 -0.492 -5.339 -2.648 1.00 0.00 N ATOM 487 CA LEU A 34 0.250 -4.822 -3.793 1.00 0.00 C ATOM 488 C LEU A 34 -0.361 -5.311 -5.102 1.00 0.00 C ATOM 489 O LEU A 34 -0.436 -6.515 -5.354 1.00 0.00 O ATOM 490 CB LEU A 34 1.716 -5.249 -3.710 1.00 0.00 C ATOM 491 CG LEU A 34 2.716 -4.362 -4.453 1.00 0.00 C ATOM 492 CD1 LEU A 34 2.654 -2.934 -3.932 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.126 -4.919 -4.319 1.00 0.00 C ATOM 0 H LEU A 34 0.062 -5.911 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 34 0.194 -3.734 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.004 -5.286 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.801 -6.263 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 34 2.449 -4.354 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.373 -2.318 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.650 -2.536 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.895 -2.924 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.824 -4.275 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.403 -4.958 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.162 -5.923 -4.741 1.00 0.00 H new ATOM 505 N LEU A 35 -0.794 -4.370 -5.935 1.00 0.00 N ATOM 506 CA LEU A 35 -1.395 -4.705 -7.221 1.00 0.00 C ATOM 507 C LEU A 35 -0.376 -4.579 -8.348 1.00 0.00 C ATOM 508 O LEU A 35 -0.069 -5.556 -9.032 1.00 0.00 O ATOM 509 CB LEU A 35 -2.593 -3.795 -7.498 1.00 0.00 C ATOM 510 CG LEU A 35 -3.622 -3.678 -6.372 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.291 -2.312 -6.400 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.660 -4.785 -6.481 1.00 0.00 C ATOM 0 H LEU A 35 -0.740 -3.370 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.734 -5.740 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.220 -2.797 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.101 -4.159 -8.391 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.104 -3.786 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.020 -2.247 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.537 -1.535 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.796 -2.174 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.384 -4.686 -5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.174 -4.709 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.167 -5.754 -6.410 1.00 0.00 H new ATOM 524 N GLU A 36 0.148 -3.371 -8.534 1.00 0.00 N ATOM 525 CA GLU A 36 1.134 -3.120 -9.578 1.00 0.00 C ATOM 526 C GLU A 36 2.398 -2.497 -8.993 1.00 0.00 C ATOM 527 O GLU A 36 2.386 -1.354 -8.536 1.00 0.00 O ATOM 528 CB GLU A 36 0.550 -2.200 -10.652 1.00 0.00 C ATOM 529 CG GLU A 36 1.129 -2.437 -12.037 1.00 0.00 C ATOM 530 CD GLU A 36 1.131 -3.903 -12.425 1.00 0.00 C ATOM 531 OE1 GLU A 36 2.115 -4.600 -12.099 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.151 -4.352 -13.055 1.00 0.00 O ATOM 0 H GLU A 36 -0.094 -2.552 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 36 1.396 -4.076 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.530 -2.340 -10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.727 -1.163 -10.366 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.552 -1.872 -12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.149 -2.055 -12.071 1.00 0.00 H new ATOM 539 N ASP A 37 3.488 -3.257 -9.010 1.00 0.00 N ATOM 540 CA ASP A 37 4.761 -2.780 -8.482 1.00 0.00 C ATOM 541 C ASP A 37 5.737 -2.472 -9.614 1.00 0.00 C ATOM 542 O ASP A 37 6.950 -2.430 -9.406 1.00 0.00 O ATOM 543 CB ASP A 37 5.367 -3.819 -7.538 1.00 0.00 C ATOM 544 CG ASP A 37 5.758 -5.096 -8.256 1.00 0.00 C ATOM 545 OD1 ASP A 37 5.096 -5.441 -9.257 1.00 0.00 O ATOM 546 OD2 ASP A 37 6.727 -5.750 -7.817 1.00 0.00 O ATOM 0 H ASP A 37 3.515 -4.206 -9.384 1.00 0.00 H new ATOM 0 HA ASP A 37 4.575 -1.861 -7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.246 -3.395 -7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.650 -4.053 -6.751 1.00 0.00 H new ATOM 551 N SER A 38 5.200 -2.259 -10.811 1.00 0.00 N ATOM 552 CA SER A 38 6.024 -1.960 -11.976 1.00 0.00 C ATOM 553 C SER A 38 6.859 -0.705 -11.743 1.00 0.00 C ATOM 554 O SER A 38 7.896 -0.510 -12.376 1.00 0.00 O ATOM 555 CB SER A 38 5.146 -1.780 -13.215 1.00 0.00 C ATOM 556 OG SER A 38 4.178 -0.764 -13.011 1.00 0.00 O ATOM 0 H SER A 38 4.198 -2.288 -10.999 1.00 0.00 H new ATOM 0 HA SER A 38 6.700 -2.800 -12.138 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.769 -1.526 -14.072 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.647 -2.720 -13.451 1.00 0.00 H new ATOM 0 HG SER A 38 3.630 -0.667 -13.818 1.00 0.00 H new ATOM 562 N ASN A 39 6.398 0.144 -10.830 1.00 0.00 N ATOM 563 CA ASN A 39 7.102 1.382 -10.513 1.00 0.00 C ATOM 564 C ASN A 39 8.172 1.143 -9.452 1.00 0.00 C ATOM 565 O ASN A 39 8.315 0.033 -8.940 1.00 0.00 O ATOM 566 CB ASN A 39 6.113 2.444 -10.027 1.00 0.00 C ATOM 567 CG ASN A 39 5.422 3.158 -11.172 1.00 0.00 C ATOM 568 OD1 ASN A 39 5.692 2.885 -12.342 1.00 0.00 O ATOM 569 ND2 ASN A 39 4.526 4.080 -10.839 1.00 0.00 N ATOM 0 H ASN A 39 5.541 -0.002 -10.297 1.00 0.00 H new ATOM 0 HA ASN A 39 7.590 1.737 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.363 1.974 -9.390 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.641 3.174 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.030 4.595 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.334 4.273 -9.856 1.00 0.00 H new ATOM 576 N GLU A 40 8.920 2.193 -9.128 1.00 0.00 N ATOM 577 CA GLU A 40 9.977 2.096 -8.128 1.00 0.00 C ATOM 578 C GLU A 40 9.711 3.044 -6.961 1.00 0.00 C ATOM 579 O GLU A 40 9.877 2.675 -5.798 1.00 0.00 O ATOM 580 CB GLU A 40 11.335 2.414 -8.757 1.00 0.00 C ATOM 581 CG GLU A 40 11.855 1.315 -9.669 1.00 0.00 C ATOM 582 CD GLU A 40 13.103 1.728 -10.427 1.00 0.00 C ATOM 583 OE1 GLU A 40 12.989 2.571 -11.341 1.00 0.00 O ATOM 584 OE2 GLU A 40 14.191 1.207 -10.105 1.00 0.00 O ATOM 0 H GLU A 40 8.814 3.119 -9.543 1.00 0.00 H new ATOM 0 HA GLU A 40 9.990 1.074 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.254 3.340 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.061 2.590 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.072 0.427 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.077 1.040 -10.381 1.00 0.00 H new ATOM 591 N ASP A 41 9.298 4.265 -7.281 1.00 0.00 N ATOM 592 CA ASP A 41 9.008 5.266 -6.261 1.00 0.00 C ATOM 593 C ASP A 41 7.670 4.981 -5.585 1.00 0.00 C ATOM 594 O ASP A 41 7.611 4.747 -4.378 1.00 0.00 O ATOM 595 CB ASP A 41 8.993 6.665 -6.879 1.00 0.00 C ATOM 596 CG ASP A 41 9.190 7.756 -5.845 1.00 0.00 C ATOM 597 OD1 ASP A 41 10.042 7.577 -4.949 1.00 0.00 O ATOM 598 OD2 ASP A 41 8.492 8.788 -5.931 1.00 0.00 O ATOM 0 H ASP A 41 9.156 4.586 -8.239 1.00 0.00 H new ATOM 0 HA ASP A 41 9.793 5.219 -5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.779 6.735 -7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.045 6.822 -7.393 1.00 0.00 H new ATOM 603 N TRP A 42 6.600 5.003 -6.371 1.00 0.00 N ATOM 604 CA TRP A 42 5.262 4.748 -5.847 1.00 0.00 C ATOM 605 C TRP A 42 4.681 3.469 -6.439 1.00 0.00 C ATOM 606 O TRP A 42 4.939 3.136 -7.595 1.00 0.00 O ATOM 607 CB TRP A 42 4.340 5.930 -6.150 1.00 0.00 C ATOM 608 CG TRP A 42 4.757 7.199 -5.470 1.00 0.00 C ATOM 609 CD1 TRP A 42 6.027 7.687 -5.355 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.902 8.139 -4.811 1.00 0.00 C ATOM 611 NE1 TRP A 42 6.013 8.875 -4.664 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.721 9.174 -4.319 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.524 8.208 -4.589 1.00 0.00 C ATOM 614 CZ2 TRP A 42 4.207 10.262 -3.619 1.00 0.00 C ATOM 615 CZ3 TRP A 42 2.015 9.288 -3.894 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.854 10.304 -3.417 1.00 0.00 C ATOM 0 H TRP A 42 6.632 5.194 -7.372 1.00 0.00 H new ATOM 0 HA TRP A 42 5.339 4.624 -4.767 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.315 6.095 -7.227 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.325 5.678 -5.842 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.912 7.210 -5.749 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.832 9.442 -4.444 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.869 7.431 -4.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.853 11.045 -3.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.952 9.350 -3.715 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.425 11.136 -2.879 1.00 0.00 H new ATOM 627 N TRP A 43 3.896 2.756 -5.639 1.00 0.00 N ATOM 628 CA TRP A 43 3.278 1.512 -6.085 1.00 0.00 C ATOM 629 C TRP A 43 1.772 1.537 -5.847 1.00 0.00 C ATOM 630 O TRP A 43 1.270 2.347 -5.068 1.00 0.00 O ATOM 631 CB TRP A 43 3.902 0.320 -5.358 1.00 0.00 C ATOM 632 CG TRP A 43 5.382 0.207 -5.564 1.00 0.00 C ATOM 633 CD1 TRP A 43 6.080 0.530 -6.692 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.346 -0.264 -4.615 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.419 0.289 -6.503 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.608 -0.198 -5.236 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.265 -0.733 -3.301 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.778 -0.585 -4.587 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.427 -1.117 -2.659 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.670 -1.040 -3.301 1.00 0.00 C ATOM 0 H TRP A 43 3.672 3.018 -4.679 1.00 0.00 H new ATOM 0 HA TRP A 43 3.456 1.410 -7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.696 0.406 -4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.424 -0.597 -5.702 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.643 0.918 -7.600 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.153 0.447 -7.193 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.312 -0.794 -2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.737 -0.528 -5.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.376 -1.483 -1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.560 -1.346 -2.771 1.00 0.00 H new ATOM 651 N LYS A 44 1.056 0.645 -6.523 1.00 0.00 N ATOM 652 CA LYS A 44 -0.393 0.563 -6.385 1.00 0.00 C ATOM 653 C LYS A 44 -0.790 -0.624 -5.512 1.00 0.00 C ATOM 654 O LYS A 44 -0.199 -1.699 -5.603 1.00 0.00 O ATOM 655 CB LYS A 44 -1.051 0.440 -7.761 1.00 0.00 C ATOM 656 CG LYS A 44 -2.555 0.648 -7.737 1.00 0.00 C ATOM 657 CD LYS A 44 -2.917 2.118 -7.872 1.00 0.00 C ATOM 658 CE LYS A 44 -4.376 2.299 -8.262 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.655 3.681 -8.741 1.00 0.00 N ATOM 0 H LYS A 44 1.456 -0.032 -7.173 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.739 1.478 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.603 1.170 -8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.836 -0.547 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.014 0.083 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.963 0.256 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.725 2.629 -6.929 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.278 2.584 -8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.634 1.585 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.011 2.077 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.417 3.656 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.947 4.274 -7.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.796 4.079 -9.171 1.00 0.00 H new ATOM 673 N GLY A 45 -1.797 -0.421 -4.668 1.00 0.00 N ATOM 674 CA GLY A 45 -2.256 -1.483 -3.792 1.00 0.00 C ATOM 675 C GLY A 45 -3.759 -1.465 -3.598 1.00 0.00 C ATOM 676 O GLY A 45 -4.435 -0.520 -4.007 1.00 0.00 O ATOM 0 H GLY A 45 -2.303 0.460 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.958 -2.446 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.766 -1.388 -2.823 1.00 0.00 H new ATOM 680 N LYS A 46 -4.286 -2.513 -2.974 1.00 0.00 N ATOM 681 CA LYS A 46 -5.719 -2.616 -2.726 1.00 0.00 C ATOM 682 C LYS A 46 -6.001 -2.844 -1.245 1.00 0.00 C ATOM 683 O LYS A 46 -5.549 -3.832 -0.663 1.00 0.00 O ATOM 684 CB LYS A 46 -6.320 -3.755 -3.552 1.00 0.00 C ATOM 685 CG LYS A 46 -7.793 -3.997 -3.274 1.00 0.00 C ATOM 686 CD LYS A 46 -8.376 -5.037 -4.217 1.00 0.00 C ATOM 687 CE LYS A 46 -9.852 -4.784 -4.481 1.00 0.00 C ATOM 688 NZ LYS A 46 -10.591 -6.048 -4.754 1.00 0.00 N ATOM 0 H LYS A 46 -3.741 -3.304 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.182 -1.675 -3.025 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.191 -3.532 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.765 -4.671 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.920 -4.328 -2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.342 -3.061 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.829 -5.022 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.247 -6.031 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.294 -4.283 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.959 -4.110 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.593 -5.833 -4.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.185 -6.513 -5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.511 -6.681 -3.933 1.00 0.00 H new ATOM 702 N ILE A 47 -6.749 -1.928 -0.641 1.00 0.00 N ATOM 703 CA ILE A 47 -7.092 -2.032 0.772 1.00 0.00 C ATOM 704 C ILE A 47 -8.519 -2.536 0.956 1.00 0.00 C ATOM 705 O ILE A 47 -9.319 -2.519 0.020 1.00 0.00 O ATOM 706 CB ILE A 47 -6.942 -0.677 1.489 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.564 -0.076 1.208 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.158 -0.844 2.986 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.291 1.198 1.977 1.00 0.00 C ATOM 0 H ILE A 47 -7.130 -1.105 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.397 -2.747 1.213 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.700 0.006 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.799 -0.811 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.476 0.128 0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.049 0.122 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.160 -1.233 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.420 -1.540 3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.296 1.567 1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.034 1.950 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.346 0.996 3.047 1.00 0.00 H new ATOM 721 N GLN A 48 -8.832 -2.984 2.168 1.00 0.00 N ATOM 722 CA GLN A 48 -10.163 -3.493 2.474 1.00 0.00 C ATOM 723 C GLN A 48 -11.225 -2.769 1.651 1.00 0.00 C ATOM 724 O GLN A 48 -11.771 -3.325 0.698 1.00 0.00 O ATOM 725 CB GLN A 48 -10.462 -3.334 3.966 1.00 0.00 C ATOM 726 CG GLN A 48 -9.536 -4.142 4.861 1.00 0.00 C ATOM 727 CD GLN A 48 -10.109 -4.361 6.247 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.224 -3.932 6.545 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.347 -5.031 7.104 1.00 0.00 N ATOM 0 H GLN A 48 -8.182 -3.005 2.954 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.188 -4.552 2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.384 -2.280 4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.492 -3.636 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.340 -5.108 4.396 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.578 -3.628 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.429 -5.368 6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.680 -5.208 8.052 1.00 0.00 H new ATOM 738 N ASP A 49 -11.512 -1.527 2.026 1.00 0.00 N ATOM 739 CA ASP A 49 -12.507 -0.727 1.322 1.00 0.00 C ATOM 740 C ASP A 49 -11.872 0.519 0.714 1.00 0.00 C ATOM 741 O ASP A 49 -12.569 1.451 0.313 1.00 0.00 O ATOM 742 CB ASP A 49 -13.636 -0.327 2.274 1.00 0.00 C ATOM 743 CG ASP A 49 -14.551 -1.488 2.608 1.00 0.00 C ATOM 744 OD1 ASP A 49 -14.874 -2.272 1.691 1.00 0.00 O ATOM 745 OD2 ASP A 49 -14.944 -1.614 3.787 1.00 0.00 O ATOM 0 H ASP A 49 -11.070 -1.053 2.813 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.919 -1.332 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.208 0.070 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -14.221 0.474 1.823 1.00 0.00 H new ATOM 750 N ARG A 50 -10.544 0.528 0.649 1.00 0.00 N ATOM 751 CA ARG A 50 -9.815 1.661 0.092 1.00 0.00 C ATOM 752 C ARG A 50 -8.890 1.211 -1.035 1.00 0.00 C ATOM 753 O ARG A 50 -8.323 0.119 -0.987 1.00 0.00 O ATOM 754 CB ARG A 50 -9.002 2.359 1.184 1.00 0.00 C ATOM 755 CG ARG A 50 -9.812 3.346 2.009 1.00 0.00 C ATOM 756 CD ARG A 50 -9.787 4.737 1.394 1.00 0.00 C ATOM 757 NE ARG A 50 -10.238 5.759 2.334 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.497 5.883 2.738 1.00 0.00 C ATOM 759 NH1 ARG A 50 -12.426 5.052 2.286 1.00 0.00 N ATOM 760 NH2 ARG A 50 -11.830 6.838 3.596 1.00 0.00 N ATOM 0 H ARG A 50 -9.952 -0.236 0.975 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.542 2.363 -0.315 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.578 1.605 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.166 2.884 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -10.842 2.999 2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -9.414 3.388 3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.774 4.969 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.422 4.753 0.508 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.548 6.414 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.174 4.316 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.392 5.149 2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.118 7.479 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.798 6.931 3.905 1.00 0.00 H new ATOM 774 N ILE A 51 -8.745 2.058 -2.048 1.00 0.00 N ATOM 775 CA ILE A 51 -7.889 1.747 -3.187 1.00 0.00 C ATOM 776 C ILE A 51 -7.275 3.013 -3.775 1.00 0.00 C ATOM 777 O ILE A 51 -7.766 4.118 -3.545 1.00 0.00 O ATOM 778 CB ILE A 51 -8.667 1.007 -4.290 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.439 -0.173 -3.696 1.00 0.00 C ATOM 780 CG2 ILE A 51 -7.718 0.531 -5.380 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.355 -0.857 -4.687 1.00 0.00 C ATOM 0 H ILE A 51 -9.209 2.965 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.095 1.099 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.383 1.698 -4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.729 -0.902 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.030 0.179 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.283 0.010 -6.152 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.209 1.389 -5.819 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.981 -0.147 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -10.869 -1.683 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.089 -0.142 -5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.767 -1.240 -5.522 1.00 0.00 H new ATOM 793 N GLY A 52 -6.199 2.844 -4.537 1.00 0.00 N ATOM 794 CA GLY A 52 -5.537 3.981 -5.149 1.00 0.00 C ATOM 795 C GLY A 52 -4.026 3.876 -5.083 1.00 0.00 C ATOM 796 O GLY A 52 -3.485 2.842 -4.690 1.00 0.00 O ATOM 0 H GLY A 52 -5.774 1.940 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.848 4.061 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.857 4.896 -4.650 1.00 0.00 H new ATOM 800 N PHE A 53 -3.342 4.948 -5.471 1.00 0.00 N ATOM 801 CA PHE A 53 -1.884 4.971 -5.457 1.00 0.00 C ATOM 802 C PHE A 53 -1.360 5.369 -4.080 1.00 0.00 C ATOM 803 O PHE A 53 -2.093 5.923 -3.261 1.00 0.00 O ATOM 804 CB PHE A 53 -1.359 5.942 -6.516 1.00 0.00 C ATOM 805 CG PHE A 53 -1.879 5.662 -7.897 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.288 4.692 -8.691 1.00 0.00 C ATOM 807 CD2 PHE A 53 -2.959 6.368 -8.401 1.00 0.00 C ATOM 808 CE1 PHE A 53 -1.764 4.434 -9.962 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.440 6.113 -9.671 1.00 0.00 C ATOM 810 CZ PHE A 53 -2.843 5.144 -10.453 1.00 0.00 C ATOM 0 H PHE A 53 -3.774 5.812 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.526 3.967 -5.686 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.632 6.958 -6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.270 5.897 -6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.446 4.132 -8.312 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.431 7.127 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.293 3.677 -10.572 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.282 6.671 -10.052 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.218 4.942 -11.445 1.00 0.00 H new ATOM 820 N PHE A 54 -0.086 5.081 -3.833 1.00 0.00 N ATOM 821 CA PHE A 54 0.537 5.407 -2.556 1.00 0.00 C ATOM 822 C PHE A 54 2.056 5.285 -2.645 1.00 0.00 C ATOM 823 O PHE A 54 2.596 4.475 -3.399 1.00 0.00 O ATOM 824 CB PHE A 54 0.004 4.488 -1.455 1.00 0.00 C ATOM 825 CG PHE A 54 0.542 3.088 -1.531 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.814 2.793 -1.067 1.00 0.00 C ATOM 827 CD2 PHE A 54 -0.226 2.065 -2.065 1.00 0.00 C ATOM 828 CE1 PHE A 54 2.311 1.506 -1.137 1.00 0.00 C ATOM 829 CE2 PHE A 54 0.266 0.775 -2.137 1.00 0.00 C ATOM 830 CZ PHE A 54 1.535 0.495 -1.671 1.00 0.00 C ATOM 0 H PHE A 54 0.534 4.623 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 54 0.287 6.439 -2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.256 4.914 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.084 4.455 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.424 3.578 -0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.220 2.278 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.305 1.290 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.342 -0.013 -2.557 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.921 -0.512 -1.724 1.00 0.00 H new ATOM 840 N PRO A 55 2.762 6.110 -1.858 1.00 0.00 N ATOM 841 CA PRO A 55 4.228 6.114 -1.829 1.00 0.00 C ATOM 842 C PRO A 55 4.799 4.854 -1.188 1.00 0.00 C ATOM 843 O PRO A 55 4.369 4.446 -0.110 1.00 0.00 O ATOM 844 CB PRO A 55 4.562 7.344 -0.982 1.00 0.00 C ATOM 845 CG PRO A 55 3.366 7.545 -0.117 1.00 0.00 C ATOM 846 CD PRO A 55 2.185 7.101 -0.935 1.00 0.00 C ATOM 0 HA PRO A 55 4.656 6.141 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.459 7.182 -0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.749 8.217 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.446 6.963 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.267 8.590 0.176 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.406 6.663 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.732 7.934 -1.472 1.00 0.00 H new ATOM 854 N ALA A 56 5.770 4.243 -1.858 1.00 0.00 N ATOM 855 CA ALA A 56 6.402 3.031 -1.352 1.00 0.00 C ATOM 856 C ALA A 56 7.269 3.331 -0.134 1.00 0.00 C ATOM 857 O ALA A 56 7.774 2.419 0.519 1.00 0.00 O ATOM 858 CB ALA A 56 7.232 2.373 -2.444 1.00 0.00 C ATOM 0 H ALA A 56 6.136 4.568 -2.753 1.00 0.00 H new ATOM 0 HA ALA A 56 5.615 2.342 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.698 1.469 -2.052 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.588 2.114 -3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.006 3.064 -2.779 1.00 0.00 H new ATOM 864 N ASN A 57 7.436 4.615 0.165 1.00 0.00 N ATOM 865 CA ASN A 57 8.244 5.035 1.305 1.00 0.00 C ATOM 866 C ASN A 57 7.406 5.078 2.579 1.00 0.00 C ATOM 867 O ASN A 57 7.922 5.338 3.666 1.00 0.00 O ATOM 868 CB ASN A 57 8.861 6.410 1.040 1.00 0.00 C ATOM 869 CG ASN A 57 10.212 6.316 0.359 1.00 0.00 C ATOM 870 OD1 ASN A 57 10.296 6.159 -0.859 1.00 0.00 O ATOM 871 ND2 ASN A 57 11.278 6.411 1.145 1.00 0.00 N ATOM 0 H ASN A 57 7.023 5.382 -0.365 1.00 0.00 H new ATOM 0 HA ASN A 57 9.043 4.306 1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.184 6.995 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.969 6.945 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.214 6.354 0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.161 6.541 2.150 1.00 0.00 H new ATOM 878 N PHE A 58 6.110 4.820 2.437 1.00 0.00 N ATOM 879 CA PHE A 58 5.200 4.830 3.576 1.00 0.00 C ATOM 880 C PHE A 58 4.859 3.407 4.012 1.00 0.00 C ATOM 881 O PHE A 58 4.126 3.201 4.980 1.00 0.00 O ATOM 882 CB PHE A 58 3.918 5.589 3.226 1.00 0.00 C ATOM 883 CG PHE A 58 3.987 7.057 3.536 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.109 7.797 3.199 1.00 0.00 C ATOM 885 CD2 PHE A 58 2.930 7.696 4.163 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.175 9.148 3.484 1.00 0.00 C ATOM 887 CE2 PHE A 58 2.991 9.047 4.450 1.00 0.00 C ATOM 888 CZ PHE A 58 4.114 9.774 4.109 1.00 0.00 C ATOM 0 H PHE A 58 5.667 4.602 1.545 1.00 0.00 H new ATOM 0 HA PHE A 58 5.699 5.336 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.707 5.459 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.084 5.149 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.941 7.313 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.048 7.133 4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.056 9.714 3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.161 9.533 4.941 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.163 10.830 4.330 1.00 0.00 H new ATOM 898 N VAL A 59 5.396 2.429 3.290 1.00 0.00 N ATOM 899 CA VAL A 59 5.150 1.026 3.601 1.00 0.00 C ATOM 900 C VAL A 59 6.458 0.259 3.750 1.00 0.00 C ATOM 901 O VAL A 59 7.488 0.658 3.208 1.00 0.00 O ATOM 902 CB VAL A 59 4.294 0.352 2.512 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.936 1.029 2.404 1.00 0.00 C ATOM 904 CG2 VAL A 59 5.018 0.375 1.175 1.00 0.00 C ATOM 0 H VAL A 59 6.004 2.582 2.486 1.00 0.00 H new ATOM 0 HA VAL A 59 4.608 1.001 4.546 1.00 0.00 H new ATOM 0 HB VAL A 59 4.133 -0.688 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.346 0.539 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.415 0.955 3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.072 2.079 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.399 -0.105 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.212 1.407 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.963 -0.161 1.264 1.00 0.00 H new ATOM 914 N GLN A 60 6.410 -0.845 4.490 1.00 0.00 N ATOM 915 CA GLN A 60 7.593 -1.668 4.711 1.00 0.00 C ATOM 916 C GLN A 60 7.333 -3.114 4.303 1.00 0.00 C ATOM 917 O GLN A 60 6.586 -3.832 4.967 1.00 0.00 O ATOM 918 CB GLN A 60 8.014 -1.608 6.180 1.00 0.00 C ATOM 919 CG GLN A 60 9.186 -2.517 6.515 1.00 0.00 C ATOM 920 CD GLN A 60 10.518 -1.935 6.082 1.00 0.00 C ATOM 921 OE1 GLN A 60 11.201 -2.491 5.222 1.00 0.00 O ATOM 922 NE2 GLN A 60 10.893 -0.809 6.677 1.00 0.00 N ATOM 0 H GLN A 60 5.565 -1.189 4.946 1.00 0.00 H new ATOM 0 HA GLN A 60 8.400 -1.274 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.278 -0.581 6.432 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.163 -1.881 6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.205 -2.698 7.590 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.041 -3.483 6.032 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.295 -0.383 7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.779 -0.370 6.426 1.00 0.00 H new ATOM 931 N ARG A 61 7.955 -3.535 3.206 1.00 0.00 N ATOM 932 CA ARG A 61 7.790 -4.895 2.709 1.00 0.00 C ATOM 933 C ARG A 61 7.741 -5.894 3.861 1.00 0.00 C ATOM 934 O ARG A 61 8.564 -5.844 4.776 1.00 0.00 O ATOM 935 CB ARG A 61 8.933 -5.255 1.757 1.00 0.00 C ATOM 936 CG ARG A 61 8.876 -6.687 1.251 1.00 0.00 C ATOM 937 CD ARG A 61 9.836 -6.907 0.092 1.00 0.00 C ATOM 938 NE ARG A 61 11.173 -7.275 0.551 1.00 0.00 N ATOM 939 CZ ARG A 61 12.097 -6.390 0.905 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.831 -5.092 0.854 1.00 0.00 N ATOM 941 NH2 ARG A 61 13.291 -6.803 1.312 1.00 0.00 N ATOM 0 H ARG A 61 8.578 -2.953 2.645 1.00 0.00 H new ATOM 0 HA ARG A 61 6.845 -4.944 2.168 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.912 -4.576 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.883 -5.096 2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.122 -7.371 2.063 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.860 -6.922 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.447 -7.691 -0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.896 -5.998 -0.507 1.00 0.00 H new ATOM 0 HE ARG A 61 11.410 -8.266 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.914 -4.771 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.543 -4.414 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.499 -7.801 1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.001 -6.123 1.584 1.00 0.00 H new ATOM 955 N LEU A 62 6.770 -6.799 3.812 1.00 0.00 N ATOM 956 CA LEU A 62 6.612 -7.810 4.852 1.00 0.00 C ATOM 957 C LEU A 62 7.002 -9.191 4.333 1.00 0.00 C ATOM 958 O LEU A 62 6.149 -9.965 3.900 1.00 0.00 O ATOM 959 CB LEU A 62 5.168 -7.830 5.356 1.00 0.00 C ATOM 960 CG LEU A 62 4.812 -6.787 6.415 1.00 0.00 C ATOM 961 CD1 LEU A 62 3.320 -6.493 6.395 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.246 -7.258 7.795 1.00 0.00 C ATOM 0 H LEU A 62 6.080 -6.854 3.063 1.00 0.00 H new ATOM 0 HA LEU A 62 7.275 -7.553 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.504 -7.693 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.961 -8.819 5.765 1.00 0.00 H new ATOM 0 HG LEU A 62 5.346 -5.866 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.086 -5.748 7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.038 -6.111 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.766 -7.409 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.984 -6.503 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.741 -8.193 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.324 -7.416 7.803 1.00 0.00 H new