USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 548 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 1.03 K(o=1,f=-0.19) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.752 USER MOD Single : A 16 GLN : amide:sc= -0.0544 K(o=-0.054,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 23:sc= 0.457 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0206 X(o=-0.021,f=-0.32) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.63 K(o=-1.6,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.302 K(o=-0.3,f=-3.4!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.969 F(o=-2.4!,f=-0.97) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -2.015 16.894 1.960 1.00 0.00 N ATOM 84 CA VAL A 2 -2.704 16.194 3.039 1.00 0.00 C ATOM 85 C VAL A 2 -2.154 14.784 3.218 1.00 0.00 C ATOM 86 O VAL A 2 -2.199 13.966 2.299 1.00 0.00 O ATOM 87 CB VAL A 2 -4.219 16.113 2.776 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.881 15.160 3.760 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.848 17.496 2.855 1.00 0.00 C ATOM 0 HA VAL A 2 -2.531 16.766 3.950 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.376 15.725 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.951 15.115 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.449 14.165 3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.717 15.516 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.919 17.420 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.683 17.915 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.393 18.146 2.107 1.00 0.00 H new ATOM 99 N LYS A 3 -1.634 14.505 4.409 1.00 0.00 N ATOM 100 CA LYS A 3 -1.076 13.192 4.712 1.00 0.00 C ATOM 101 C LYS A 3 -2.175 12.137 4.786 1.00 0.00 C ATOM 102 O LYS A 3 -3.324 12.445 5.108 1.00 0.00 O ATOM 103 CB LYS A 3 -0.307 13.236 6.035 1.00 0.00 C ATOM 104 CG LYS A 3 0.439 11.950 6.347 1.00 0.00 C ATOM 105 CD LYS A 3 1.313 12.098 7.581 1.00 0.00 C ATOM 106 CE LYS A 3 1.762 10.745 8.111 1.00 0.00 C ATOM 107 NZ LYS A 3 2.354 10.851 9.473 1.00 0.00 N ATOM 0 H LYS A 3 -1.587 15.171 5.180 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.391 12.921 3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.405 14.061 6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.005 13.447 6.845 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.276 11.142 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.057 11.671 5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.187 12.703 7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.762 12.629 8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.911 10.065 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.495 10.313 7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.647 9.908 9.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.182 11.480 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.647 11.239 10.130 1.00 0.00 H new ATOM 121 N LEU A 4 -1.817 10.894 4.487 1.00 0.00 N ATOM 122 CA LEU A 4 -2.773 9.793 4.521 1.00 0.00 C ATOM 123 C LEU A 4 -2.181 8.580 5.233 1.00 0.00 C ATOM 124 O LEU A 4 -1.026 8.217 5.009 1.00 0.00 O ATOM 125 CB LEU A 4 -3.191 9.410 3.101 1.00 0.00 C ATOM 126 CG LEU A 4 -3.951 10.479 2.314 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.885 10.192 0.822 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.397 10.557 2.781 1.00 0.00 C ATOM 0 H LEU A 4 -0.871 10.623 4.218 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.651 10.124 5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.296 9.142 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.813 8.516 3.155 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.478 11.444 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.431 10.963 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.844 10.188 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.332 9.219 0.619 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.923 11.323 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.882 9.593 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.424 10.812 3.841 1.00 0.00 H new ATOM 140 N PHE A 5 -2.982 7.956 6.091 1.00 0.00 N ATOM 141 CA PHE A 5 -2.538 6.782 6.835 1.00 0.00 C ATOM 142 C PHE A 5 -3.051 5.501 6.186 1.00 0.00 C ATOM 143 O PHE A 5 -4.241 5.372 5.897 1.00 0.00 O ATOM 144 CB PHE A 5 -3.019 6.861 8.286 1.00 0.00 C ATOM 145 CG PHE A 5 -2.901 5.560 9.027 1.00 0.00 C ATOM 146 CD1 PHE A 5 -1.677 4.920 9.141 1.00 0.00 C ATOM 147 CD2 PHE A 5 -4.014 4.976 9.610 1.00 0.00 C ATOM 148 CE1 PHE A 5 -1.565 3.723 9.823 1.00 0.00 C ATOM 149 CE2 PHE A 5 -3.908 3.779 10.294 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.682 3.152 10.399 1.00 0.00 C ATOM 0 H PHE A 5 -3.941 8.243 6.288 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.448 6.764 6.821 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.442 7.623 8.811 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.060 7.184 8.298 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.800 5.362 8.691 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.975 5.461 9.529 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.605 3.235 9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.783 3.335 10.746 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.597 2.216 10.931 1.00 0.00 H new ATOM 160 N ILE A 6 -2.145 4.556 5.958 1.00 0.00 N ATOM 161 CA ILE A 6 -2.505 3.284 5.343 1.00 0.00 C ATOM 162 C ILE A 6 -1.940 2.111 6.137 1.00 0.00 C ATOM 163 O ILE A 6 -0.726 1.946 6.241 1.00 0.00 O ATOM 164 CB ILE A 6 -2.000 3.198 3.891 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.374 4.467 3.122 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.572 1.967 3.204 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.830 4.500 1.711 1.00 0.00 C ATOM 0 H ILE A 6 -1.156 4.647 6.190 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.594 3.229 5.344 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.914 3.111 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.460 4.554 3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.002 5.335 3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.206 1.920 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.260 1.072 3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.660 2.026 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.134 5.427 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.742 4.445 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.222 3.652 1.150 1.00 0.00 H new ATOM 179 N GLY A 7 -2.831 1.296 6.693 1.00 0.00 N ATOM 180 CA GLY A 7 -2.403 0.147 7.469 1.00 0.00 C ATOM 181 C GLY A 7 -2.821 -1.167 6.838 1.00 0.00 C ATOM 182 O GLY A 7 -3.558 -1.183 5.853 1.00 0.00 O ATOM 0 H GLY A 7 -3.842 1.411 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.318 0.167 7.574 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.822 0.214 8.473 1.00 0.00 H new ATOM 186 N ASN A 8 -2.348 -2.271 7.406 1.00 0.00 N ATOM 187 CA ASN A 8 -2.676 -3.596 6.891 1.00 0.00 C ATOM 188 C ASN A 8 -2.085 -3.800 5.500 1.00 0.00 C ATOM 189 O ASN A 8 -2.725 -4.378 4.620 1.00 0.00 O ATOM 190 CB ASN A 8 -4.193 -3.788 6.846 1.00 0.00 C ATOM 191 CG ASN A 8 -4.596 -5.243 6.985 1.00 0.00 C ATOM 192 OD1 ASN A 8 -5.135 -5.654 8.013 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.336 -6.030 5.948 1.00 0.00 N ATOM 0 H ASN A 8 -1.737 -2.275 8.223 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.243 -4.337 7.563 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.654 -3.208 7.646 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.578 -3.395 5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.585 -7.019 5.983 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.888 -5.646 5.116 1.00 0.00 H new ATOM 200 N LEU A 9 -0.860 -3.323 5.307 1.00 0.00 N ATOM 201 CA LEU A 9 -0.181 -3.453 4.023 1.00 0.00 C ATOM 202 C LEU A 9 0.505 -4.811 3.904 1.00 0.00 C ATOM 203 O LEU A 9 1.046 -5.347 4.871 1.00 0.00 O ATOM 204 CB LEU A 9 0.847 -2.334 3.851 1.00 0.00 C ATOM 205 CG LEU A 9 0.281 -0.922 3.692 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.406 0.099 3.620 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.599 -0.836 2.454 1.00 0.00 C ATOM 0 H LEU A 9 -0.317 -2.842 6.024 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.930 -3.374 3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.512 -2.342 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.458 -2.560 2.977 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.332 -0.697 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.984 1.098 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.996 0.056 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.045 -0.124 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.993 0.176 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.010 -1.082 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.426 -1.540 2.546 1.00 0.00 H new ATOM 219 N PRO A 10 0.484 -5.381 2.690 1.00 0.00 N ATOM 220 CA PRO A 10 1.101 -6.681 2.415 1.00 0.00 C ATOM 221 C PRO A 10 2.615 -6.582 2.254 1.00 0.00 C ATOM 222 O PRO A 10 3.223 -5.576 2.619 1.00 0.00 O ATOM 223 CB PRO A 10 0.450 -7.112 1.099 1.00 0.00 C ATOM 224 CG PRO A 10 0.094 -5.836 0.417 1.00 0.00 C ATOM 225 CD PRO A 10 -0.143 -4.798 1.492 1.00 0.00 C ATOM 0 HA PRO A 10 0.948 -7.386 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.135 -7.706 0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.433 -7.726 1.276 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.896 -5.521 -0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.798 -5.964 -0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.308 -3.841 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.207 -4.617 1.645 1.00 0.00 H new ATOM 233 N ARG A 11 3.217 -7.633 1.706 1.00 0.00 N ATOM 234 CA ARG A 11 4.659 -7.664 1.497 1.00 0.00 C ATOM 235 C ARG A 11 5.010 -7.268 0.066 1.00 0.00 C ATOM 236 O ARG A 11 6.077 -6.711 -0.190 1.00 0.00 O ATOM 237 CB ARG A 11 5.210 -9.058 1.802 1.00 0.00 C ATOM 238 CG ARG A 11 6.652 -9.253 1.361 1.00 0.00 C ATOM 239 CD ARG A 11 7.628 -8.733 2.405 1.00 0.00 C ATOM 240 NE ARG A 11 7.654 -9.575 3.598 1.00 0.00 N ATOM 241 CZ ARG A 11 8.261 -9.231 4.728 1.00 0.00 C ATOM 242 NH1 ARG A 11 8.889 -8.067 4.819 1.00 0.00 N ATOM 243 NH2 ARG A 11 8.240 -10.051 5.771 1.00 0.00 N ATOM 0 H ARG A 11 2.728 -8.474 1.399 1.00 0.00 H new ATOM 0 HA ARG A 11 5.115 -6.944 2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.139 -9.241 2.874 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.584 -9.802 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.839 -10.312 1.182 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.818 -8.736 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.628 -8.684 1.974 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.352 -7.716 2.685 1.00 0.00 H new ATOM 0 HE ARG A 11 7.180 -10.477 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.907 -7.433 4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.354 -7.805 5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.757 -10.947 5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.707 -9.785 6.638 1.00 0.00 H new ATOM 257 N GLU A 12 4.105 -7.560 -0.863 1.00 0.00 N ATOM 258 CA GLU A 12 4.320 -7.236 -2.268 1.00 0.00 C ATOM 259 C GLU A 12 4.147 -5.740 -2.514 1.00 0.00 C ATOM 260 O GLU A 12 4.688 -5.191 -3.473 1.00 0.00 O ATOM 261 CB GLU A 12 3.351 -8.025 -3.151 1.00 0.00 C ATOM 262 CG GLU A 12 3.458 -9.531 -2.978 1.00 0.00 C ATOM 263 CD GLU A 12 4.849 -10.054 -3.277 1.00 0.00 C ATOM 264 OE1 GLU A 12 5.156 -10.277 -4.467 1.00 0.00 O ATOM 265 OE2 GLU A 12 5.631 -10.242 -2.321 1.00 0.00 O ATOM 0 H GLU A 12 3.216 -8.020 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 12 5.342 -7.513 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.331 -7.713 -2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.537 -7.774 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.186 -9.796 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.740 -10.021 -3.636 1.00 0.00 H new ATOM 272 N ALA A 13 3.388 -5.087 -1.640 1.00 0.00 N ATOM 273 CA ALA A 13 3.144 -3.655 -1.761 1.00 0.00 C ATOM 274 C ALA A 13 4.453 -2.885 -1.906 1.00 0.00 C ATOM 275 O ALA A 13 5.423 -3.149 -1.195 1.00 0.00 O ATOM 276 CB ALA A 13 2.363 -3.149 -0.557 1.00 0.00 C ATOM 0 H ALA A 13 2.932 -5.527 -0.841 1.00 0.00 H new ATOM 0 HA ALA A 13 2.552 -3.487 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.188 -2.078 -0.661 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.407 -3.669 -0.499 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.934 -3.337 0.352 1.00 0.00 H new ATOM 282 N THR A 14 4.474 -1.933 -2.833 1.00 0.00 N ATOM 283 CA THR A 14 5.664 -1.126 -3.073 1.00 0.00 C ATOM 284 C THR A 14 5.332 0.361 -3.061 1.00 0.00 C ATOM 285 O THR A 14 4.260 0.771 -3.508 1.00 0.00 O ATOM 286 CB THR A 14 6.322 -1.483 -4.420 1.00 0.00 C ATOM 287 OG1 THR A 14 5.375 -1.331 -5.483 1.00 0.00 O ATOM 288 CG2 THR A 14 6.849 -2.909 -4.404 1.00 0.00 C ATOM 0 H THR A 14 3.680 -1.702 -3.430 1.00 0.00 H new ATOM 0 HA THR A 14 6.363 -1.345 -2.266 1.00 0.00 H new ATOM 0 HB THR A 14 7.160 -0.805 -4.581 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.801 -1.558 -6.336 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.309 -3.138 -5.365 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.591 -3.014 -3.613 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.025 -3.599 -4.222 1.00 0.00 H new ATOM 296 N GLU A 15 6.257 1.166 -2.547 1.00 0.00 N ATOM 297 CA GLU A 15 6.061 2.609 -2.477 1.00 0.00 C ATOM 298 C GLU A 15 5.357 3.123 -3.730 1.00 0.00 C ATOM 299 O GLU A 15 4.557 4.056 -3.666 1.00 0.00 O ATOM 300 CB GLU A 15 7.404 3.321 -2.304 1.00 0.00 C ATOM 301 CG GLU A 15 7.860 3.416 -0.858 1.00 0.00 C ATOM 302 CD GLU A 15 8.527 2.143 -0.372 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.212 1.485 -1.183 1.00 0.00 O ATOM 304 OE2 GLU A 15 8.364 1.807 0.819 1.00 0.00 O ATOM 0 H GLU A 15 7.149 0.843 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 15 5.431 2.823 -1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.163 2.793 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.329 4.326 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.556 4.249 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.001 3.637 -0.224 1.00 0.00 H new ATOM 311 N GLN A 16 5.663 2.509 -4.868 1.00 0.00 N ATOM 312 CA GLN A 16 5.062 2.905 -6.136 1.00 0.00 C ATOM 313 C GLN A 16 3.596 2.491 -6.196 1.00 0.00 C ATOM 314 O GLN A 16 2.703 3.338 -6.232 1.00 0.00 O ATOM 315 CB GLN A 16 5.828 2.283 -7.305 1.00 0.00 C ATOM 316 CG GLN A 16 7.039 3.094 -7.739 1.00 0.00 C ATOM 317 CD GLN A 16 8.104 2.243 -8.402 1.00 0.00 C ATOM 318 OE1 GLN A 16 7.882 1.067 -8.694 1.00 0.00 O ATOM 319 NE2 GLN A 16 9.268 2.833 -8.644 1.00 0.00 N ATOM 0 H GLN A 16 6.324 1.735 -4.938 1.00 0.00 H new ATOM 0 HA GLN A 16 5.118 3.991 -6.212 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.154 1.282 -7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.153 2.172 -8.153 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.720 3.874 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.467 3.594 -6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.408 3.810 -8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 16 10.022 2.310 -9.089 1.00 0.00 H new ATOM 328 N GLU A 17 3.355 1.184 -6.207 1.00 0.00 N ATOM 329 CA GLU A 17 1.996 0.658 -6.264 1.00 0.00 C ATOM 330 C GLU A 17 1.038 1.539 -5.466 1.00 0.00 C ATOM 331 O GLU A 17 -0.055 1.864 -5.930 1.00 0.00 O ATOM 332 CB GLU A 17 1.956 -0.774 -5.727 1.00 0.00 C ATOM 333 CG GLU A 17 2.471 -1.808 -6.714 1.00 0.00 C ATOM 334 CD GLU A 17 1.862 -1.652 -8.094 1.00 0.00 C ATOM 335 OE1 GLU A 17 0.630 -1.465 -8.182 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.618 -1.716 -9.086 1.00 0.00 O ATOM 0 H GLU A 17 4.083 0.470 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 17 1.678 0.656 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.550 -0.828 -4.814 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.930 -1.023 -5.455 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.555 -1.725 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.253 -2.807 -6.335 1.00 0.00 H new ATOM 343 N ILE A 18 1.457 1.919 -4.263 1.00 0.00 N ATOM 344 CA ILE A 18 0.638 2.762 -3.401 1.00 0.00 C ATOM 345 C ILE A 18 0.498 4.167 -3.977 1.00 0.00 C ATOM 346 O ILE A 18 -0.612 4.673 -4.143 1.00 0.00 O ATOM 347 CB ILE A 18 1.228 2.858 -1.982 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.294 1.471 -1.339 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.400 3.805 -1.127 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.056 0.801 -1.207 1.00 0.00 C ATOM 0 H ILE A 18 2.358 1.656 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.345 2.295 -3.346 1.00 0.00 H new ATOM 0 HB ILE A 18 2.241 3.254 -2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.950 0.835 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.745 1.559 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.830 3.862 -0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.399 4.797 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.623 3.436 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.067 -0.178 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.709 1.416 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.501 0.681 -2.195 1.00 0.00 H new ATOM 362 N ARG A 19 1.631 4.791 -4.282 1.00 0.00 N ATOM 363 CA ARG A 19 1.636 6.138 -4.840 1.00 0.00 C ATOM 364 C ARG A 19 0.681 6.237 -6.027 1.00 0.00 C ATOM 365 O ARG A 19 -0.234 7.060 -6.032 1.00 0.00 O ATOM 366 CB ARG A 19 3.049 6.528 -5.276 1.00 0.00 C ATOM 367 CG ARG A 19 3.114 7.850 -6.021 1.00 0.00 C ATOM 368 CD ARG A 19 4.477 8.064 -6.661 1.00 0.00 C ATOM 369 NE ARG A 19 4.638 9.425 -7.164 1.00 0.00 N ATOM 370 CZ ARG A 19 5.677 9.821 -7.891 1.00 0.00 C ATOM 371 NH1 ARG A 19 6.642 8.965 -8.198 1.00 0.00 N ATOM 372 NH2 ARG A 19 5.753 11.077 -8.313 1.00 0.00 N ATOM 0 H ARG A 19 2.558 4.385 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 19 1.300 6.827 -4.065 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.689 6.585 -4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.453 5.742 -5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.342 7.873 -6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.902 8.668 -5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.258 7.853 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.608 7.357 -7.480 1.00 0.00 H new ATOM 0 HE ARG A 19 3.914 10.109 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.588 7.999 -7.876 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.438 9.273 -8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.013 11.739 -8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.551 11.380 -8.871 1.00 0.00 H new ATOM 386 N SER A 20 0.902 5.394 -7.030 1.00 0.00 N ATOM 387 CA SER A 20 0.064 5.390 -8.223 1.00 0.00 C ATOM 388 C SER A 20 -1.415 5.368 -7.849 1.00 0.00 C ATOM 389 O SER A 20 -2.186 6.232 -8.269 1.00 0.00 O ATOM 390 CB SER A 20 0.397 4.182 -9.102 1.00 0.00 C ATOM 391 OG SER A 20 -0.083 4.364 -10.422 1.00 0.00 O ATOM 0 H SER A 20 1.654 4.705 -7.040 1.00 0.00 H new ATOM 0 HA SER A 20 0.266 6.304 -8.781 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.476 4.029 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.044 3.283 -8.672 1.00 0.00 H new ATOM 0 HG SER A 20 0.144 3.579 -10.964 1.00 0.00 H new ATOM 397 N LEU A 21 -1.804 4.376 -7.057 1.00 0.00 N ATOM 398 CA LEU A 21 -3.190 4.240 -6.624 1.00 0.00 C ATOM 399 C LEU A 21 -3.791 5.601 -6.287 1.00 0.00 C ATOM 400 O LEU A 21 -4.972 5.849 -6.535 1.00 0.00 O ATOM 401 CB LEU A 21 -3.278 3.316 -5.409 1.00 0.00 C ATOM 402 CG LEU A 21 -3.214 1.816 -5.700 1.00 0.00 C ATOM 403 CD1 LEU A 21 -2.972 1.033 -4.419 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.494 1.349 -6.378 1.00 0.00 C ATOM 0 H LEU A 21 -1.179 3.653 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.760 3.805 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.467 3.568 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.211 3.525 -4.886 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.380 1.633 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.930 -0.032 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.028 1.347 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.785 1.222 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.431 0.279 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.344 1.547 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.625 1.886 -7.317 1.00 0.00 H new ATOM 416 N PHE A 22 -2.971 6.481 -5.722 1.00 0.00 N ATOM 417 CA PHE A 22 -3.421 7.817 -5.352 1.00 0.00 C ATOM 418 C PHE A 22 -3.324 8.772 -6.539 1.00 0.00 C ATOM 419 O PHE A 22 -4.117 9.704 -6.664 1.00 0.00 O ATOM 420 CB PHE A 22 -2.590 8.353 -4.184 1.00 0.00 C ATOM 421 CG PHE A 22 -2.904 7.690 -2.873 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.065 8.003 -2.184 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.038 6.755 -2.330 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.355 7.396 -0.977 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.323 6.144 -1.123 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.484 6.464 -0.446 1.00 0.00 C ATOM 0 H PHE A 22 -1.991 6.292 -5.510 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.465 7.749 -5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.532 8.216 -4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.759 9.426 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.751 8.729 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.130 6.500 -2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.262 7.650 -0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.639 5.417 -0.710 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.710 5.987 0.496 1.00 0.00 H new ATOM 436 N GLU A 23 -2.346 8.531 -7.406 1.00 0.00 N ATOM 437 CA GLU A 23 -2.144 9.370 -8.582 1.00 0.00 C ATOM 438 C GLU A 23 -3.386 9.371 -9.469 1.00 0.00 C ATOM 439 O GLU A 23 -3.519 10.202 -10.366 1.00 0.00 O ATOM 440 CB GLU A 23 -0.934 8.884 -9.381 1.00 0.00 C ATOM 441 CG GLU A 23 0.395 9.376 -8.833 1.00 0.00 C ATOM 442 CD GLU A 23 0.812 10.709 -9.424 1.00 0.00 C ATOM 443 OE1 GLU A 23 0.214 11.122 -10.438 1.00 0.00 O ATOM 444 OE2 GLU A 23 1.738 11.338 -8.870 1.00 0.00 O ATOM 0 H GLU A 23 -1.681 7.762 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.960 10.389 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.931 7.794 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.036 9.214 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.325 9.469 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.166 8.634 -9.040 1.00 0.00 H new ATOM 451 N GLN A 24 -4.292 8.433 -9.210 1.00 0.00 N ATOM 452 CA GLN A 24 -5.522 8.325 -9.985 1.00 0.00 C ATOM 453 C GLN A 24 -6.535 9.378 -9.548 1.00 0.00 C ATOM 454 O GLN A 24 -7.371 9.816 -10.339 1.00 0.00 O ATOM 455 CB GLN A 24 -6.124 6.927 -9.833 1.00 0.00 C ATOM 456 CG GLN A 24 -5.271 5.828 -10.444 1.00 0.00 C ATOM 457 CD GLN A 24 -5.921 4.462 -10.348 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.253 3.534 -9.673 1.00 0.00 O flip ATOM 459 NE2 GLN A 24 -7.013 4.243 -10.874 1.00 0.00 N flip ATOM 0 H GLN A 24 -4.197 7.738 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.277 8.496 -11.033 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.269 6.716 -8.773 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.109 6.912 -10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.080 6.062 -11.491 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.304 5.802 -9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.492 4.986 -11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.439 3.319 -10.800 1.00 0.00 H new ATOM 468 N TYR A 25 -6.455 9.780 -8.284 1.00 0.00 N ATOM 469 CA TYR A 25 -7.367 10.780 -7.741 1.00 0.00 C ATOM 470 C TYR A 25 -6.605 12.018 -7.279 1.00 0.00 C ATOM 471 O TYR A 25 -7.097 12.794 -6.461 1.00 0.00 O ATOM 472 CB TYR A 25 -8.164 10.193 -6.575 1.00 0.00 C ATOM 473 CG TYR A 25 -8.589 8.759 -6.793 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.707 7.710 -6.567 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.874 8.452 -7.224 1.00 0.00 C ATOM 476 CE1 TYR A 25 -8.091 6.398 -6.766 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.267 7.143 -7.424 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.372 6.119 -7.194 1.00 0.00 C ATOM 479 OH TYR A 25 -9.759 4.814 -7.391 1.00 0.00 O ATOM 0 H TYR A 25 -5.768 9.429 -7.617 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.057 11.075 -8.532 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.561 10.251 -5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.051 10.804 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.704 7.924 -6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.578 9.251 -7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.392 5.595 -6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.270 6.922 -7.759 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.692 4.791 -7.691 1.00 0.00 H new ATOM 489 N GLY A 26 -5.400 12.196 -7.811 1.00 0.00 N ATOM 490 CA GLY A 26 -4.588 13.342 -7.443 1.00 0.00 C ATOM 491 C GLY A 26 -3.112 13.005 -7.365 1.00 0.00 C ATOM 492 O GLY A 26 -2.735 11.940 -6.877 1.00 0.00 O ATOM 0 H GLY A 26 -4.971 11.567 -8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.738 14.139 -8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.922 13.725 -6.479 1.00 0.00 H new ATOM 496 N LYS A 27 -2.273 13.915 -7.848 1.00 0.00 N ATOM 497 CA LYS A 27 -0.830 13.711 -7.832 1.00 0.00 C ATOM 498 C LYS A 27 -0.328 13.484 -6.410 1.00 0.00 C ATOM 499 O LYS A 27 -0.859 14.052 -5.455 1.00 0.00 O ATOM 500 CB LYS A 27 -0.117 14.916 -8.450 1.00 0.00 C ATOM 501 CG LYS A 27 1.396 14.779 -8.477 1.00 0.00 C ATOM 502 CD LYS A 27 2.061 16.046 -8.989 1.00 0.00 C ATOM 503 CE LYS A 27 3.576 15.916 -8.997 1.00 0.00 C ATOM 504 NZ LYS A 27 4.246 17.233 -9.185 1.00 0.00 N ATOM 0 H LYS A 27 -2.568 14.802 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.607 12.823 -8.423 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.479 15.059 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.382 15.812 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.760 14.556 -7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.675 13.938 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.708 16.261 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.770 16.889 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.907 15.471 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.878 15.238 -9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.278 17.101 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.950 17.647 -10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.979 17.872 -8.410 1.00 0.00 H new ATOM 518 N VAL A 28 0.699 12.651 -6.275 1.00 0.00 N ATOM 519 CA VAL A 28 1.274 12.351 -4.970 1.00 0.00 C ATOM 520 C VAL A 28 2.593 13.088 -4.768 1.00 0.00 C ATOM 521 O VAL A 28 3.328 13.341 -5.723 1.00 0.00 O ATOM 522 CB VAL A 28 1.512 10.839 -4.795 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.383 10.572 -3.577 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.186 10.101 -4.684 1.00 0.00 C ATOM 0 H VAL A 28 1.150 12.172 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 28 0.555 12.687 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 28 2.037 10.467 -5.675 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.540 9.499 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.345 11.069 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.889 10.957 -2.685 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.373 9.034 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.367 10.474 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.399 10.265 -5.589 1.00 0.00 H new ATOM 534 N LEU A 29 2.888 13.429 -3.518 1.00 0.00 N ATOM 535 CA LEU A 29 4.120 14.138 -3.189 1.00 0.00 C ATOM 536 C LEU A 29 5.125 13.202 -2.526 1.00 0.00 C ATOM 537 O LEU A 29 6.236 13.018 -3.022 1.00 0.00 O ATOM 538 CB LEU A 29 3.821 15.320 -2.266 1.00 0.00 C ATOM 539 CG LEU A 29 2.627 16.192 -2.658 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.407 17.290 -1.629 1.00 0.00 C ATOM 541 CD2 LEU A 29 2.836 16.791 -4.042 1.00 0.00 C ATOM 0 H LEU A 29 2.291 13.226 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 29 4.555 14.511 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.650 14.936 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.708 15.952 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 29 1.737 15.564 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.554 17.900 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.212 16.842 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.297 17.916 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.977 17.408 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.737 17.404 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.944 15.990 -4.773 1.00 0.00 H new ATOM 553 N GLU A 30 4.726 12.613 -1.403 1.00 0.00 N ATOM 554 CA GLU A 30 5.593 11.695 -0.673 1.00 0.00 C ATOM 555 C GLU A 30 4.915 10.342 -0.482 1.00 0.00 C ATOM 556 O GLU A 30 3.687 10.250 -0.453 1.00 0.00 O ATOM 557 CB GLU A 30 5.968 12.286 0.688 1.00 0.00 C ATOM 558 CG GLU A 30 7.013 11.476 1.436 1.00 0.00 C ATOM 559 CD GLU A 30 8.384 11.558 0.794 1.00 0.00 C ATOM 560 OE1 GLU A 30 8.590 10.907 -0.252 1.00 0.00 O ATOM 561 OE2 GLU A 30 9.252 12.274 1.337 1.00 0.00 O ATOM 0 H GLU A 30 3.809 12.755 -0.979 1.00 0.00 H new ATOM 0 HA GLU A 30 6.500 11.548 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.341 13.300 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.070 12.361 1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.076 11.832 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.697 10.434 1.478 1.00 0.00 H new ATOM 568 N CYS A 31 5.722 9.295 -0.353 1.00 0.00 N ATOM 569 CA CYS A 31 5.201 7.945 -0.167 1.00 0.00 C ATOM 570 C CYS A 31 6.221 7.062 0.544 1.00 0.00 C ATOM 571 O CYS A 31 7.319 6.834 0.038 1.00 0.00 O ATOM 572 CB CYS A 31 4.827 7.330 -1.516 1.00 0.00 C ATOM 573 SG CYS A 31 6.246 6.927 -2.562 1.00 0.00 S ATOM 0 H CYS A 31 6.740 9.355 -0.374 1.00 0.00 H new ATOM 0 HA CYS A 31 4.308 8.009 0.454 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.248 6.423 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.179 8.023 -2.052 1.00 0.00 H new ATOM 0 HG CYS A 31 7.306 6.789 -1.822 1.00 0.00 H new ATOM 579 N ASP A 32 5.850 6.569 1.721 1.00 0.00 N ATOM 580 CA ASP A 32 6.733 5.711 2.503 1.00 0.00 C ATOM 581 C ASP A 32 5.987 4.479 3.006 1.00 0.00 C ATOM 582 O ASP A 32 4.757 4.468 3.066 1.00 0.00 O ATOM 583 CB ASP A 32 7.318 6.486 3.684 1.00 0.00 C ATOM 584 CG ASP A 32 8.579 7.242 3.312 1.00 0.00 C ATOM 585 OD1 ASP A 32 9.311 6.771 2.416 1.00 0.00 O ATOM 586 OD2 ASP A 32 8.834 8.304 3.917 1.00 0.00 O ATOM 0 H ASP A 32 4.944 6.749 2.154 1.00 0.00 H new ATOM 0 HA ASP A 32 7.546 5.382 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.574 7.189 4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.539 5.793 4.496 1.00 0.00 H new ATOM 591 N ILE A 33 6.739 3.444 3.366 1.00 0.00 N ATOM 592 CA ILE A 33 6.149 2.208 3.864 1.00 0.00 C ATOM 593 C ILE A 33 6.993 1.608 4.984 1.00 0.00 C ATOM 594 O ILE A 33 8.053 1.033 4.735 1.00 0.00 O ATOM 595 CB ILE A 33 5.991 1.167 2.741 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.044 1.691 1.659 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.481 -0.150 3.307 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.861 0.735 0.501 1.00 0.00 C ATOM 0 H ILE A 33 7.758 3.437 3.322 1.00 0.00 H new ATOM 0 HA ILE A 33 5.163 2.463 4.252 1.00 0.00 H new ATOM 0 HB ILE A 33 6.967 0.992 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.072 1.896 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.427 2.639 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.375 -0.876 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.190 -0.528 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.513 0.009 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.178 1.172 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.825 0.548 0.027 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.449 -0.205 0.867 1.00 0.00 H new ATOM 610 N ILE A 34 6.515 1.745 6.216 1.00 0.00 N ATOM 611 CA ILE A 34 7.224 1.213 7.373 1.00 0.00 C ATOM 612 C ILE A 34 6.249 0.692 8.423 1.00 0.00 C ATOM 613 O ILE A 34 5.081 1.081 8.450 1.00 0.00 O ATOM 614 CB ILE A 34 8.132 2.279 8.015 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.819 3.114 6.933 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.163 1.621 8.919 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.348 4.439 7.436 1.00 0.00 C ATOM 0 H ILE A 34 5.640 2.220 6.439 1.00 0.00 H new ATOM 0 HA ILE A 34 7.842 0.390 7.014 1.00 0.00 H new ATOM 0 HB ILE A 34 7.516 2.942 8.622 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.644 2.539 6.511 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.112 3.298 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.797 2.387 9.365 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.654 1.066 9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.777 0.938 8.333 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.822 4.977 6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.524 5.033 7.831 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.080 4.263 8.225 1.00 0.00 H new ATOM 629 N LYS A 35 6.737 -0.189 9.290 1.00 0.00 N ATOM 630 CA LYS A 35 5.911 -0.763 10.346 1.00 0.00 C ATOM 631 C LYS A 35 4.555 -1.199 9.800 1.00 0.00 C ATOM 632 O LYS A 35 3.511 -0.794 10.308 1.00 0.00 O ATOM 633 CB LYS A 35 5.715 0.251 11.475 1.00 0.00 C ATOM 634 CG LYS A 35 6.844 0.254 12.492 1.00 0.00 C ATOM 635 CD LYS A 35 6.731 1.430 13.447 1.00 0.00 C ATOM 636 CE LYS A 35 7.892 1.465 14.429 1.00 0.00 C ATOM 637 NZ LYS A 35 7.730 2.544 15.442 1.00 0.00 N ATOM 0 H LYS A 35 7.701 -0.521 9.282 1.00 0.00 H new ATOM 0 HA LYS A 35 6.424 -1.641 10.738 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.622 1.248 11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.777 0.036 11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.828 -0.678 13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.802 0.296 11.974 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.706 2.360 12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.791 1.366 13.995 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.970 0.502 14.934 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.824 1.616 13.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.542 2.534 16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.681 3.466 14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.854 2.387 15.980 1.00 0.00 H new ATOM 651 N ASN A 36 4.580 -2.029 8.762 1.00 0.00 N ATOM 652 CA ASN A 36 3.352 -2.522 8.148 1.00 0.00 C ATOM 653 C ASN A 36 2.377 -1.377 7.887 1.00 0.00 C ATOM 654 O ASN A 36 1.164 -1.580 7.838 1.00 0.00 O ATOM 655 CB ASN A 36 2.694 -3.572 9.044 1.00 0.00 C ATOM 656 CG ASN A 36 3.711 -4.387 9.821 1.00 0.00 C ATOM 657 OD1 ASN A 36 4.734 -4.804 9.279 1.00 0.00 O ATOM 658 ND2 ASN A 36 3.431 -4.618 11.099 1.00 0.00 N ATOM 0 H ASN A 36 5.436 -2.374 8.329 1.00 0.00 H new ATOM 0 HA ASN A 36 3.611 -2.980 7.194 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.018 -3.078 9.742 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.088 -4.240 8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.077 -5.161 11.672 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.570 -4.252 11.507 1.00 0.00 H new ATOM 665 N TYR A 37 2.917 -0.175 7.720 1.00 0.00 N ATOM 666 CA TYR A 37 2.095 1.003 7.466 1.00 0.00 C ATOM 667 C TYR A 37 2.715 1.876 6.380 1.00 0.00 C ATOM 668 O TYR A 37 3.926 1.850 6.162 1.00 0.00 O ATOM 669 CB TYR A 37 1.920 1.815 8.751 1.00 0.00 C ATOM 670 CG TYR A 37 3.076 2.745 9.041 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.351 3.824 8.210 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.894 2.545 10.146 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.407 4.676 8.471 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.951 3.393 10.416 1.00 0.00 C ATOM 675 CZ TYR A 37 5.203 4.457 9.575 1.00 0.00 C ATOM 676 OH TYR A 37 6.256 5.303 9.839 1.00 0.00 O ATOM 0 H TYR A 37 3.920 0.010 7.756 1.00 0.00 H new ATOM 0 HA TYR A 37 1.118 0.665 7.121 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.003 2.400 8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.796 1.130 9.590 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.729 4.000 7.345 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.700 1.712 10.806 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.608 5.509 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.576 3.224 11.280 1.00 0.00 H new ATOM 0 HH TYR A 37 6.715 5.010 10.654 1.00 0.00 H new ATOM 686 N GLY A 38 1.875 2.650 5.700 1.00 0.00 N ATOM 687 CA GLY A 38 2.357 3.521 4.645 1.00 0.00 C ATOM 688 C GLY A 38 1.726 4.898 4.695 1.00 0.00 C ATOM 689 O GLY A 38 0.544 5.036 5.013 1.00 0.00 O ATOM 0 H GLY A 38 0.869 2.689 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.440 3.618 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.148 3.064 3.678 1.00 0.00 H new ATOM 693 N PHE A 39 2.515 5.921 4.384 1.00 0.00 N ATOM 694 CA PHE A 39 2.027 7.295 4.398 1.00 0.00 C ATOM 695 C PHE A 39 2.025 7.887 2.992 1.00 0.00 C ATOM 696 O PHE A 39 3.033 7.840 2.285 1.00 0.00 O ATOM 697 CB PHE A 39 2.889 8.156 5.324 1.00 0.00 C ATOM 698 CG PHE A 39 2.734 7.812 6.778 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.479 7.587 7.321 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.844 7.714 7.602 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.333 7.271 8.658 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.704 7.397 8.940 1.00 0.00 C ATOM 703 CZ PHE A 39 2.447 7.177 9.469 1.00 0.00 C ATOM 0 H PHE A 39 3.495 5.824 4.119 1.00 0.00 H new ATOM 0 HA PHE A 39 1.003 7.285 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.936 8.043 5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.630 9.205 5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.605 7.660 6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.829 7.887 7.194 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.349 7.098 9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.577 7.321 9.572 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.336 6.932 10.515 1.00 0.00 H new ATOM 713 N VAL A 40 0.886 8.442 2.591 1.00 0.00 N ATOM 714 CA VAL A 40 0.752 9.043 1.269 1.00 0.00 C ATOM 715 C VAL A 40 0.272 10.486 1.368 1.00 0.00 C ATOM 716 O VAL A 40 -0.714 10.779 2.045 1.00 0.00 O ATOM 717 CB VAL A 40 -0.229 8.247 0.387 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.578 9.033 -0.867 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.359 6.890 0.030 1.00 0.00 C ATOM 0 H VAL A 40 0.042 8.488 3.163 1.00 0.00 H new ATOM 0 HA VAL A 40 1.741 9.022 0.810 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.148 8.083 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.272 8.455 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.042 9.978 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.330 9.230 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.346 6.340 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.292 7.030 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.553 6.326 0.942 1.00 0.00 H new ATOM 729 N HIS A 41 0.975 11.386 0.688 1.00 0.00 N ATOM 730 CA HIS A 41 0.620 12.801 0.698 1.00 0.00 C ATOM 731 C HIS A 41 0.071 13.233 -0.658 1.00 0.00 C ATOM 732 O HIS A 41 0.762 13.148 -1.674 1.00 0.00 O ATOM 733 CB HIS A 41 1.838 13.651 1.062 1.00 0.00 C ATOM 734 CG HIS A 41 2.485 13.249 2.352 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.114 12.035 2.532 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.600 13.909 3.528 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.586 11.965 3.764 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.288 13.089 4.389 1.00 0.00 N ATOM 0 H HIS A 41 1.794 11.161 0.123 1.00 0.00 H new ATOM 0 HA HIS A 41 -0.156 12.950 1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.572 13.581 0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.535 14.696 1.127 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.221 14.896 3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.124 11.130 4.188 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.529 13.312 5.355 1.00 0.00 H new ATOM 746 N ILE A 42 -1.175 13.694 -0.666 1.00 0.00 N ATOM 747 CA ILE A 42 -1.816 14.139 -1.898 1.00 0.00 C ATOM 748 C ILE A 42 -1.650 15.643 -2.092 1.00 0.00 C ATOM 749 O ILE A 42 -1.250 16.356 -1.172 1.00 0.00 O ATOM 750 CB ILE A 42 -3.317 13.795 -1.907 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.856 13.806 -3.339 1.00 0.00 C ATOM 752 CG2 ILE A 42 -4.091 14.774 -1.037 1.00 0.00 C ATOM 753 CD1 ILE A 42 -5.160 13.056 -3.499 1.00 0.00 C ATOM 0 H ILE A 42 -1.761 13.769 0.166 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.325 13.613 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.447 12.794 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.999 14.839 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.110 13.368 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.150 14.517 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.721 14.722 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.957 15.786 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.483 13.105 -4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.018 12.014 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.920 13.507 -2.861 1.00 0.00 H new ATOM 765 N GLU A 43 -1.961 16.117 -3.294 1.00 0.00 N ATOM 766 CA GLU A 43 -1.847 17.536 -3.608 1.00 0.00 C ATOM 767 C GLU A 43 -2.853 18.354 -2.803 1.00 0.00 C ATOM 768 O GLU A 43 -2.491 19.031 -1.841 1.00 0.00 O ATOM 769 CB GLU A 43 -2.065 17.770 -5.104 1.00 0.00 C ATOM 770 CG GLU A 43 -2.334 19.222 -5.461 1.00 0.00 C ATOM 771 CD GLU A 43 -1.086 20.080 -5.396 1.00 0.00 C ATOM 772 OE1 GLU A 43 0.014 19.549 -5.657 1.00 0.00 O ATOM 773 OE2 GLU A 43 -1.209 21.283 -5.086 1.00 0.00 O ATOM 0 H GLU A 43 -2.294 15.539 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.842 17.861 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.185 17.428 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.904 17.161 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.754 19.273 -6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.084 19.626 -4.781 1.00 0.00 H new ATOM 780 N ASP A 44 -4.118 18.286 -3.204 1.00 0.00 N ATOM 781 CA ASP A 44 -5.177 19.019 -2.521 1.00 0.00 C ATOM 782 C ASP A 44 -5.927 18.112 -1.550 1.00 0.00 C ATOM 783 O ASP A 44 -5.798 16.889 -1.601 1.00 0.00 O ATOM 784 CB ASP A 44 -6.152 19.615 -3.538 1.00 0.00 C ATOM 785 CG ASP A 44 -7.085 20.635 -2.916 1.00 0.00 C ATOM 786 OD1 ASP A 44 -6.593 21.528 -2.195 1.00 0.00 O ATOM 787 OD2 ASP A 44 -8.308 20.542 -3.152 1.00 0.00 O ATOM 0 H ASP A 44 -4.435 17.731 -3.999 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.717 19.828 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.589 20.086 -4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.740 18.814 -3.986 1.00 0.00 H new ATOM 792 N LYS A 45 -6.709 18.720 -0.665 1.00 0.00 N ATOM 793 CA LYS A 45 -7.480 17.969 0.319 1.00 0.00 C ATOM 794 C LYS A 45 -8.612 17.197 -0.351 1.00 0.00 C ATOM 795 O LYS A 45 -8.677 15.970 -0.266 1.00 0.00 O ATOM 796 CB LYS A 45 -8.050 18.913 1.380 1.00 0.00 C ATOM 797 CG LYS A 45 -8.685 18.193 2.557 1.00 0.00 C ATOM 798 CD LYS A 45 -9.313 19.171 3.536 1.00 0.00 C ATOM 799 CE LYS A 45 -8.271 19.779 4.462 1.00 0.00 C ATOM 800 NZ LYS A 45 -8.894 20.625 5.517 1.00 0.00 N ATOM 0 H LYS A 45 -6.826 19.732 -0.609 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.811 17.255 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.252 19.558 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.794 19.560 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.445 17.501 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.930 17.597 3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.819 19.964 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.072 18.659 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.692 18.983 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.573 20.380 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.151 21.021 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.426 21.400 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.541 20.046 6.090 1.00 0.00 H new ATOM 814 N THR A 46 -9.503 17.923 -1.020 1.00 0.00 N ATOM 815 CA THR A 46 -10.632 17.307 -1.705 1.00 0.00 C ATOM 816 C THR A 46 -10.203 16.049 -2.450 1.00 0.00 C ATOM 817 O THR A 46 -10.959 15.083 -2.544 1.00 0.00 O ATOM 818 CB THR A 46 -11.285 18.283 -2.702 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.630 19.504 -2.037 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.530 17.669 -3.324 1.00 0.00 C ATOM 0 H THR A 46 -9.464 18.939 -1.102 1.00 0.00 H new ATOM 0 HA THR A 46 -11.360 17.041 -0.938 1.00 0.00 H new ATOM 0 HB THR A 46 -10.567 18.492 -3.495 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.043 20.120 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.974 18.377 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.259 16.756 -3.854 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.250 17.434 -2.540 1.00 0.00 H new ATOM 828 N ALA A 47 -8.983 16.067 -2.979 1.00 0.00 N ATOM 829 CA ALA A 47 -8.453 14.926 -3.715 1.00 0.00 C ATOM 830 C ALA A 47 -8.223 13.735 -2.790 1.00 0.00 C ATOM 831 O ALA A 47 -8.456 12.588 -3.170 1.00 0.00 O ATOM 832 CB ALA A 47 -7.158 15.307 -4.418 1.00 0.00 C ATOM 0 H ALA A 47 -8.344 16.859 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.189 14.635 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.773 14.446 -4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.349 16.123 -5.115 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.423 15.626 -3.679 1.00 0.00 H new ATOM 838 N ALA A 48 -7.766 14.016 -1.574 1.00 0.00 N ATOM 839 CA ALA A 48 -7.506 12.968 -0.595 1.00 0.00 C ATOM 840 C ALA A 48 -8.749 12.116 -0.360 1.00 0.00 C ATOM 841 O ALA A 48 -8.707 10.893 -0.492 1.00 0.00 O ATOM 842 CB ALA A 48 -7.026 13.576 0.715 1.00 0.00 C ATOM 0 H ALA A 48 -7.568 14.961 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.723 12.321 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.836 12.782 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.107 14.136 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.791 14.247 1.107 1.00 0.00 H new ATOM 848 N GLU A 49 -9.852 12.770 -0.012 1.00 0.00 N ATOM 849 CA GLU A 49 -11.106 12.071 0.242 1.00 0.00 C ATOM 850 C GLU A 49 -11.422 11.092 -0.886 1.00 0.00 C ATOM 851 O GLU A 49 -11.580 9.893 -0.656 1.00 0.00 O ATOM 852 CB GLU A 49 -12.252 13.072 0.398 1.00 0.00 C ATOM 853 CG GLU A 49 -12.270 13.772 1.747 1.00 0.00 C ATOM 854 CD GLU A 49 -13.494 14.647 1.935 1.00 0.00 C ATOM 855 OE1 GLU A 49 -13.686 15.579 1.125 1.00 0.00 O ATOM 856 OE2 GLU A 49 -14.260 14.400 2.890 1.00 0.00 O ATOM 0 H GLU A 49 -9.903 13.782 0.101 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.996 11.508 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.178 13.822 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.199 12.552 0.255 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.237 13.025 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.373 14.383 1.847 1.00 0.00 H new ATOM 863 N ASP A 50 -11.512 11.613 -2.105 1.00 0.00 N ATOM 864 CA ASP A 50 -11.808 10.786 -3.269 1.00 0.00 C ATOM 865 C ASP A 50 -10.970 9.512 -3.258 1.00 0.00 C ATOM 866 O ASP A 50 -11.503 8.406 -3.337 1.00 0.00 O ATOM 867 CB ASP A 50 -11.550 11.571 -4.557 1.00 0.00 C ATOM 868 CG ASP A 50 -12.778 12.322 -5.032 1.00 0.00 C ATOM 869 OD1 ASP A 50 -12.959 13.486 -4.616 1.00 0.00 O ATOM 870 OD2 ASP A 50 -13.558 11.748 -5.820 1.00 0.00 O ATOM 0 H ASP A 50 -11.384 12.603 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.861 10.506 -3.228 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.737 12.278 -4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.222 10.885 -5.338 1.00 0.00 H new ATOM 875 N ALA A 51 -9.654 9.676 -3.161 1.00 0.00 N ATOM 876 CA ALA A 51 -8.742 8.539 -3.139 1.00 0.00 C ATOM 877 C ALA A 51 -9.070 7.595 -1.987 1.00 0.00 C ATOM 878 O ALA A 51 -9.406 6.430 -2.204 1.00 0.00 O ATOM 879 CB ALA A 51 -7.302 9.020 -3.037 1.00 0.00 C ATOM 0 H ALA A 51 -9.196 10.585 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.864 7.988 -4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.632 8.161 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.067 9.648 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.175 9.596 -2.120 1.00 0.00 H new ATOM 885 N ILE A 52 -8.969 8.104 -0.764 1.00 0.00 N ATOM 886 CA ILE A 52 -9.255 7.305 0.421 1.00 0.00 C ATOM 887 C ILE A 52 -10.527 6.485 0.238 1.00 0.00 C ATOM 888 O ILE A 52 -10.500 5.256 0.304 1.00 0.00 O ATOM 889 CB ILE A 52 -9.404 8.190 1.673 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.071 8.861 2.012 1.00 0.00 C ATOM 891 CG2 ILE A 52 -9.900 7.363 2.850 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.200 9.992 3.009 1.00 0.00 C ATOM 0 H ILE A 52 -8.691 9.066 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.409 6.632 0.559 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.139 8.968 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.387 8.112 2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.623 9.245 1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.000 8.002 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.869 6.927 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.187 6.566 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.217 10.421 3.202 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.858 10.761 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.619 9.610 3.940 1.00 0.00 H new ATOM 904 N ARG A 53 -11.640 7.173 0.005 1.00 0.00 N ATOM 905 CA ARG A 53 -12.923 6.508 -0.189 1.00 0.00 C ATOM 906 C ARG A 53 -12.747 5.201 -0.956 1.00 0.00 C ATOM 907 O ARG A 53 -12.903 4.116 -0.398 1.00 0.00 O ATOM 908 CB ARG A 53 -13.889 7.427 -0.940 1.00 0.00 C ATOM 909 CG ARG A 53 -14.737 8.296 -0.025 1.00 0.00 C ATOM 910 CD ARG A 53 -13.907 9.384 0.637 1.00 0.00 C ATOM 911 NE ARG A 53 -14.603 9.991 1.768 1.00 0.00 N ATOM 912 CZ ARG A 53 -15.558 10.905 1.639 1.00 0.00 C ATOM 913 NH1 ARG A 53 -15.929 11.315 0.434 1.00 0.00 N ATOM 914 NH2 ARG A 53 -16.145 11.411 2.717 1.00 0.00 N ATOM 0 H ARG A 53 -11.679 8.191 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.338 6.280 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.319 8.069 -1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.546 6.819 -1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.544 8.751 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -15.202 7.675 0.741 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.961 8.962 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.667 10.154 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.341 9.697 2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -15.481 10.928 -0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.663 12.017 0.338 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.863 11.098 3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.878 12.113 2.616 1.00 0.00 H new ATOM 928 N ASN A 54 -12.422 5.314 -2.240 1.00 0.00 N ATOM 929 CA ASN A 54 -12.226 4.141 -3.085 1.00 0.00 C ATOM 930 C ASN A 54 -11.119 3.250 -2.530 1.00 0.00 C ATOM 931 O ASN A 54 -11.377 2.139 -2.065 1.00 0.00 O ATOM 932 CB ASN A 54 -11.885 4.567 -4.514 1.00 0.00 C ATOM 933 CG ASN A 54 -13.120 4.896 -5.330 1.00 0.00 C ATOM 934 OD1 ASN A 54 -13.660 4.041 -6.032 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.573 6.141 -5.242 1.00 0.00 N ATOM 0 H ASN A 54 -12.289 6.205 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.156 3.572 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.230 5.438 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.330 3.768 -5.006 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.400 6.421 -5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.094 6.817 -4.647 1.00 0.00 H new ATOM 942 N LEU A 55 -9.888 3.744 -2.582 1.00 0.00 N ATOM 943 CA LEU A 55 -8.740 2.993 -2.083 1.00 0.00 C ATOM 944 C LEU A 55 -9.124 2.154 -0.869 1.00 0.00 C ATOM 945 O LEU A 55 -8.602 1.057 -0.669 1.00 0.00 O ATOM 946 CB LEU A 55 -7.601 3.947 -1.718 1.00 0.00 C ATOM 947 CG LEU A 55 -6.986 4.732 -2.877 1.00 0.00 C ATOM 948 CD1 LEU A 55 -5.714 5.436 -2.429 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.702 3.811 -4.054 1.00 0.00 C ATOM 0 H LEU A 55 -9.658 4.661 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.405 2.322 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.972 4.658 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.811 3.371 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.702 5.489 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.290 5.990 -3.267 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.947 6.126 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.993 4.697 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.265 4.387 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.005 3.031 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.632 3.354 -4.391 1.00 0.00 H new ATOM 961 N HIS A 56 -10.043 2.675 -0.062 1.00 0.00 N ATOM 962 CA HIS A 56 -10.500 1.972 1.131 1.00 0.00 C ATOM 963 C HIS A 56 -10.965 0.561 0.786 1.00 0.00 C ATOM 964 O HIS A 56 -11.819 0.372 -0.082 1.00 0.00 O ATOM 965 CB HIS A 56 -11.636 2.746 1.801 1.00 0.00 C ATOM 966 CG HIS A 56 -11.702 2.548 3.285 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.593 2.276 4.058 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.752 2.586 4.137 1.00 0.00 C ATOM 969 CE1 HIS A 56 -10.959 2.153 5.321 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.265 2.337 5.396 1.00 0.00 N ATOM 0 H HIS A 56 -10.486 3.582 -0.213 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.661 1.900 1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.515 3.808 1.589 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.584 2.439 1.359 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.782 2.777 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.302 1.939 6.151 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.821 2.300 6.250 1.00 0.00 H new ATOM 978 N HIS A 57 -10.398 -0.428 1.469 1.00 0.00 N ATOM 979 CA HIS A 57 -10.755 -1.823 1.234 1.00 0.00 C ATOM 980 C HIS A 57 -10.464 -2.222 -0.210 1.00 0.00 C ATOM 981 O HIS A 57 -11.223 -2.975 -0.821 1.00 0.00 O ATOM 982 CB HIS A 57 -12.232 -2.054 1.552 1.00 0.00 C ATOM 983 CG HIS A 57 -12.510 -2.233 3.013 1.00 0.00 C ATOM 984 ND1 HIS A 57 -13.514 -3.047 3.493 1.00 0.00 N ATOM 985 CD2 HIS A 57 -11.906 -1.700 4.100 1.00 0.00 C ATOM 986 CE1 HIS A 57 -13.518 -3.004 4.814 1.00 0.00 C ATOM 987 NE2 HIS A 57 -12.551 -2.194 5.207 1.00 0.00 N ATOM 0 H HIS A 57 -9.689 -0.290 2.190 1.00 0.00 H new ATOM 0 HA HIS A 57 -10.148 -2.444 1.893 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.811 -1.208 1.181 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -12.577 -2.937 1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -11.072 -1.014 4.097 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -14.196 -3.540 5.462 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.321 -1.972 6.176 1.00 0.00 H new ATOM 995 N TYR A 58 -9.363 -1.712 -0.749 1.00 0.00 N ATOM 996 CA TYR A 58 -8.974 -2.013 -2.122 1.00 0.00 C ATOM 997 C TYR A 58 -8.234 -3.345 -2.199 1.00 0.00 C ATOM 998 O TYR A 58 -7.064 -3.441 -1.829 1.00 0.00 O ATOM 999 CB TYR A 58 -8.094 -0.894 -2.682 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.658 -1.124 -4.111 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.524 -1.873 -4.400 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.381 -0.594 -5.172 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -6.122 -2.085 -5.705 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.987 -0.802 -6.480 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.856 -1.548 -6.741 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.460 -1.758 -8.042 1.00 0.00 O ATOM 0 H TYR A 58 -8.724 -1.088 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.881 -2.087 -2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.639 0.048 -2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.210 -0.790 -2.053 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.947 -2.297 -3.591 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.266 -0.009 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -5.237 -2.669 -5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.561 -0.383 -7.293 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.086 -1.313 -8.650 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.925 -4.370 -2.685 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.335 -5.698 -2.814 1.00 0.00 C ATOM 1018 C LYS A 59 -6.976 -5.625 -3.503 1.00 0.00 C ATOM 1019 O LYS A 59 -6.894 -5.565 -4.731 1.00 0.00 O ATOM 1020 CB LYS A 59 -9.270 -6.619 -3.601 1.00 0.00 C ATOM 1021 CG LYS A 59 -9.109 -8.089 -3.255 1.00 0.00 C ATOM 1022 CD LYS A 59 -10.146 -8.945 -3.962 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.942 -10.424 -3.668 1.00 0.00 C ATOM 1024 NZ LYS A 59 -10.376 -10.780 -2.289 1.00 0.00 N ATOM 0 H LYS A 59 -9.894 -4.307 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.193 -6.105 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.302 -6.321 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.087 -6.483 -4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.109 -8.422 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.200 -8.222 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.145 -8.644 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.088 -8.775 -5.037 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.502 -11.018 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.889 -10.678 -3.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.221 -11.796 -2.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.824 -10.232 -1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.387 -10.562 -2.176 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.913 -5.632 -2.707 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.557 -5.568 -3.240 1.00 0.00 C ATOM 1040 C LEU A 60 -3.764 -6.815 -2.864 1.00 0.00 C ATOM 1041 O LEU A 60 -3.440 -7.028 -1.695 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.842 -4.319 -2.722 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.464 -4.037 -3.322 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.590 -3.646 -4.786 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.754 -2.945 -2.535 1.00 0.00 C ATOM 0 H LEU A 60 -5.964 -5.681 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.623 -5.516 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.481 -3.456 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.734 -4.409 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.868 -4.947 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.600 -3.449 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.058 -4.459 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.203 -2.749 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.775 -2.757 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.347 -2.031 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.631 -3.264 -1.500 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.453 -7.636 -3.861 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.695 -8.862 -3.635 1.00 0.00 C ATOM 1059 C HIS A 61 -3.442 -9.795 -2.688 1.00 0.00 C ATOM 1060 O HIS A 61 -2.832 -10.493 -1.879 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.315 -8.535 -3.064 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.587 -7.472 -3.829 1.00 0.00 C ATOM 1063 ND1 HIS A 61 0.061 -6.362 -3.404 1.00 0.00 N flip ATOM 1064 CD2 HIS A 61 -0.469 -7.480 -5.202 1.00 0.00 C flip ATOM 1065 CE1 HIS A 61 0.555 -5.728 -4.517 1.00 0.00 C flip ATOM 1066 NE2 HIS A 61 0.222 -6.423 -5.589 1.00 0.00 N flip ATOM 0 H HIS A 61 -3.714 -7.475 -4.834 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.573 -9.367 -4.593 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.426 -8.214 -2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.711 -9.442 -3.054 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.878 -8.233 -5.859 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.124 -4.810 -4.516 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.458 -6.184 -6.552 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.768 -9.802 -2.793 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.576 -10.653 -1.940 1.00 0.00 C ATOM 1076 C GLY A 62 -5.645 -10.144 -0.513 1.00 0.00 C ATOM 1077 O GLY A 62 -5.749 -10.929 0.429 1.00 0.00 O ATOM 0 H GLY A 62 -5.297 -9.233 -3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.584 -10.719 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.164 -11.662 -1.943 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.586 -8.826 -0.353 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.642 -8.213 0.969 1.00 0.00 C ATOM 1083 C VAL A 63 -6.558 -6.994 0.971 1.00 0.00 C ATOM 1084 O VAL A 63 -6.742 -6.342 -0.056 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.242 -7.791 1.452 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.833 -6.472 0.815 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.210 -7.693 2.970 1.00 0.00 C ATOM 0 H VAL A 63 -5.499 -8.162 -1.122 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.041 -8.965 1.650 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.525 -8.552 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.841 -6.190 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.815 -6.582 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.550 -5.698 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.213 -7.394 3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.937 -6.952 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.456 -8.663 3.402 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.128 -6.691 2.132 1.00 0.00 N ATOM 1098 CA ASN A 64 -8.025 -5.549 2.269 1.00 0.00 C ATOM 1099 C ASN A 64 -7.349 -4.415 3.033 1.00 0.00 C ATOM 1100 O ASN A 64 -7.614 -4.206 4.217 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.311 -5.967 2.985 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.021 -7.108 2.282 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.954 -8.257 2.718 1.00 0.00 O ATOM 1104 ND2 ASN A 64 -10.704 -6.794 1.188 1.00 0.00 N ATOM 0 H ASN A 64 -6.985 -7.220 2.992 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.274 -5.192 1.270 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.074 -6.265 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.982 -5.110 3.050 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.202 -7.519 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.731 -5.827 0.864 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.476 -3.685 2.347 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.763 -2.571 2.960 1.00 0.00 C ATOM 1113 C ILE A 65 -6.735 -1.566 3.570 1.00 0.00 C ATOM 1114 O ILE A 65 -7.819 -1.334 3.037 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.866 -1.846 1.940 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.720 -1.193 0.851 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.869 -2.818 1.326 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -4.970 -0.168 0.029 1.00 0.00 C ATOM 0 H ILE A 65 -6.245 -3.845 1.366 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.137 -2.992 3.747 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.310 -1.064 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.104 -1.968 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.582 -0.714 1.315 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.242 -2.291 0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.243 -3.242 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.407 -3.619 0.819 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.637 0.254 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.609 0.628 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.123 -0.646 -0.464 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.337 -0.972 4.690 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.173 0.009 5.373 1.00 0.00 C ATOM 1132 C ASN A 66 -6.663 1.425 5.123 1.00 0.00 C ATOM 1133 O ASN A 66 -5.462 1.686 5.196 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.205 -0.275 6.876 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.269 -1.289 7.250 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.456 -0.968 7.309 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.846 -2.522 7.505 1.00 0.00 N ATOM 0 H ASN A 66 -5.442 -1.152 5.144 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.184 -0.071 4.973 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.229 -0.642 7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.387 0.655 7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.515 -3.248 7.762 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.852 -2.743 7.444 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.584 2.337 4.827 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.229 3.727 4.567 1.00 0.00 C ATOM 1146 C VAL A 67 -7.990 4.670 5.492 1.00 0.00 C ATOM 1147 O VAL A 67 -9.186 4.495 5.725 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.516 4.116 3.105 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -7.067 5.543 2.834 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.836 3.144 2.152 1.00 0.00 C ATOM 0 H VAL A 67 -8.582 2.138 4.761 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.160 3.822 4.756 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.592 4.061 2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.278 5.800 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.604 6.225 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.996 5.629 3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.049 3.434 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.759 3.164 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.212 2.137 2.330 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.289 5.671 6.015 1.00 0.00 N ATOM 1161 CA GLU A 68 -7.900 6.643 6.914 1.00 0.00 C ATOM 1162 C GLU A 68 -7.266 8.020 6.739 1.00 0.00 C ATOM 1163 O GLU A 68 -6.047 8.144 6.626 1.00 0.00 O ATOM 1164 CB GLU A 68 -7.759 6.185 8.367 1.00 0.00 C ATOM 1165 CG GLU A 68 -8.106 4.721 8.581 1.00 0.00 C ATOM 1166 CD GLU A 68 -8.215 4.355 10.049 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -9.030 4.981 10.758 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -7.484 3.443 10.487 1.00 0.00 O ATOM 0 H GLU A 68 -6.298 5.830 5.832 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.959 6.716 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.734 6.358 8.696 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.404 6.798 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.050 4.499 8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.345 4.099 8.111 1.00 0.00 H new ATOM 1175 N ALA A 69 -8.104 9.052 6.718 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.626 10.420 6.559 1.00 0.00 C ATOM 1177 C ALA A 69 -6.858 10.881 7.793 1.00 0.00 C ATOM 1178 O ALA A 69 -7.442 11.417 8.734 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.792 11.356 6.280 1.00 0.00 C ATOM 0 H ALA A 69 -9.116 8.966 6.809 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.943 10.444 5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.421 12.374 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.296 11.046 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.495 11.319 7.112 1.00 0.00 H new