USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN :FLIP amide:sc= -3.54! C(o=-7.3!,f=-3.3!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.245 F(o=-6.9!,f=-3.3) USER MOD Set 2.1: A 21 ASN : amide:sc= -0.355 K(o=-1.9,f=-8.5!) USER MOD Set 2.2: A 52 ASN :FLIP amide:sc= -1.59 F(o=-4.2!,f=-1.9) USER MOD Set 3.1: A 9 MET CE :methyl -166:sc= -0.232 (180deg=-0.653) USER MOD Set 3.2: A 41 SER OG : rot 106:sc= 1.01 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.431 K(o=0.43,f=-3.1!) USER MOD Single : A 24 ASN : amide:sc= 0.0433 K(o=0.043,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= 1.26 (180deg=-0.464) USER MOD Single : A 33 SER OG : rot 66:sc= 1.22 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -96:sc= 0.957 USER MOD Single : A 40 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= 0.962 (180deg=0.128) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0.726 (180deg=0.698) USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.05 (180deg=-0.512) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.629 13.187 0.096 1.00 0.00 N ATOM 100 CA LYS A 7 -1.572 12.801 -0.965 1.00 0.00 C ATOM 101 C LYS A 7 -1.181 11.464 -1.609 1.00 0.00 C ATOM 102 O LYS A 7 -2.054 10.656 -1.948 1.00 0.00 O ATOM 103 CB LYS A 7 -1.619 13.892 -2.051 1.00 0.00 C ATOM 104 CG LYS A 7 -2.046 15.244 -1.448 1.00 0.00 C ATOM 105 CD LYS A 7 -3.492 15.166 -0.928 1.00 0.00 C ATOM 106 CE LYS A 7 -3.980 16.567 -0.541 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.392 16.488 -0.068 1.00 0.00 N ATOM 0 HA LYS A 7 -2.555 12.688 -0.507 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.639 13.990 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.318 13.601 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.374 15.515 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.965 16.027 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.142 14.743 -1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.543 14.502 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.345 16.981 0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.909 17.238 -1.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.724 17.438 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.992 16.110 -0.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.446 15.861 0.760 1.00 0.00 H new ATOM 121 N GLU A 8 0.127 11.236 -1.772 1.00 0.00 N ATOM 122 CA GLU A 8 0.612 9.993 -2.377 1.00 0.00 C ATOM 123 C GLU A 8 0.226 8.787 -1.517 1.00 0.00 C ATOM 124 O GLU A 8 -0.166 7.740 -2.047 1.00 0.00 O ATOM 125 CB GLU A 8 2.139 10.041 -2.550 1.00 0.00 C ATOM 126 CG GLU A 8 2.518 11.141 -3.565 1.00 0.00 C ATOM 127 CD GLU A 8 4.030 11.151 -3.866 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.793 10.557 -3.115 1.00 0.00 O ATOM 129 OE2 GLU A 8 4.404 11.764 -4.853 1.00 0.00 O ATOM 0 H GLU A 8 0.861 11.889 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 8 0.146 9.889 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.616 10.239 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.505 9.074 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.965 10.986 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.219 12.114 -3.174 1.00 0.00 H new ATOM 136 N MET A 9 0.324 8.943 -0.191 1.00 0.00 N ATOM 137 CA MET A 9 -0.033 7.862 0.729 1.00 0.00 C ATOM 138 C MET A 9 -1.522 7.549 0.635 1.00 0.00 C ATOM 139 O MET A 9 -1.914 6.385 0.685 1.00 0.00 O ATOM 140 CB MET A 9 0.327 8.242 2.174 1.00 0.00 C ATOM 141 CG MET A 9 1.843 8.133 2.388 1.00 0.00 C ATOM 142 SD MET A 9 2.498 9.728 2.940 1.00 0.00 S ATOM 143 CE MET A 9 3.819 9.861 1.713 1.00 0.00 C ATOM 0 H MET A 9 0.644 9.799 0.263 1.00 0.00 H new ATOM 0 HA MET A 9 0.534 6.975 0.445 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.005 9.259 2.384 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.194 7.586 2.871 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.061 7.364 3.129 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.330 7.830 1.461 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.514 10.646 2.010 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.351 8.912 1.647 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.390 10.105 0.741 1.00 0.00 H new ATOM 153 N ARG A 10 -2.342 8.596 0.500 1.00 0.00 N ATOM 154 CA ARG A 10 -3.794 8.423 0.400 1.00 0.00 C ATOM 155 C ARG A 10 -4.152 7.550 -0.806 1.00 0.00 C ATOM 156 O ARG A 10 -5.005 6.659 -0.708 1.00 0.00 O ATOM 157 CB ARG A 10 -4.473 9.797 0.274 1.00 0.00 C ATOM 158 CG ARG A 10 -6.001 9.640 0.349 1.00 0.00 C ATOM 159 CD ARG A 10 -6.670 11.015 0.207 1.00 0.00 C ATOM 160 NE ARG A 10 -8.118 10.902 0.406 1.00 0.00 N ATOM 161 CZ ARG A 10 -8.932 10.421 -0.538 1.00 0.00 C ATOM 162 NH1 ARG A 10 -8.460 10.026 -1.690 1.00 0.00 N ATOM 163 NH2 ARG A 10 -10.211 10.344 -0.308 1.00 0.00 N ATOM 0 H ARG A 10 -2.028 9.565 0.458 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.149 7.926 1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.128 10.456 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.193 10.264 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.347 8.973 -0.441 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.283 9.184 1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.249 11.708 0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.463 11.427 -0.781 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.518 11.201 1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.459 10.083 -1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.092 9.661 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.587 10.650 0.589 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.837 9.978 -1.025 1.00 0.00 H new ATOM 177 N ASN A 11 -3.494 7.813 -1.939 1.00 0.00 N ATOM 178 CA ASN A 11 -3.749 7.048 -3.162 1.00 0.00 C ATOM 179 C ASN A 11 -3.390 5.570 -2.978 1.00 0.00 C ATOM 180 O ASN A 11 -4.198 4.688 -3.284 1.00 0.00 O ATOM 181 CB ASN A 11 -2.938 7.634 -4.330 1.00 0.00 C ATOM 182 CG ASN A 11 -3.346 9.086 -4.598 1.00 0.00 C ATOM 183 OD1 ASN A 11 -4.533 9.415 -4.593 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.426 9.979 -4.837 1.00 0.00 N ATOM 0 H ASN A 11 -2.788 8.543 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.814 7.118 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.874 7.587 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.097 7.035 -5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.690 10.947 -5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.442 9.709 -4.842 1.00 0.00 H new ATOM 191 N ALA A 12 -2.174 5.306 -2.482 1.00 0.00 N ATOM 192 CA ALA A 12 -1.718 3.926 -2.271 1.00 0.00 C ATOM 193 C ALA A 12 -2.518 3.244 -1.156 1.00 0.00 C ATOM 194 O ALA A 12 -2.786 2.046 -1.225 1.00 0.00 O ATOM 195 CB ALA A 12 -0.218 3.905 -1.931 1.00 0.00 C ATOM 0 H ALA A 12 -1.495 6.021 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.882 3.373 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.106 2.876 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.348 4.344 -2.753 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.043 4.480 -1.022 1.00 0.00 H new ATOM 201 N TYR A 13 -2.897 4.019 -0.133 1.00 0.00 N ATOM 202 CA TYR A 13 -3.667 3.494 1.008 1.00 0.00 C ATOM 203 C TYR A 13 -4.961 2.818 0.531 1.00 0.00 C ATOM 204 O TYR A 13 -5.215 1.643 0.832 1.00 0.00 O ATOM 205 CB TYR A 13 -4.000 4.665 1.962 1.00 0.00 C ATOM 206 CG TYR A 13 -4.763 4.189 3.191 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.155 4.018 3.131 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.082 3.928 4.389 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.859 3.588 4.262 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.789 3.500 5.519 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.176 3.329 5.455 1.00 0.00 C ATOM 212 OH TYR A 13 -6.872 2.907 6.569 1.00 0.00 O ATOM 0 H TYR A 13 -2.684 5.014 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.071 2.745 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.077 5.155 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.593 5.410 1.431 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.684 4.218 2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.011 4.057 4.440 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.930 3.456 4.213 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.263 3.302 6.441 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.248 2.771 7.312 1.00 0.00 H new ATOM 222 N TRP A 14 -5.762 3.577 -0.211 1.00 0.00 N ATOM 223 CA TRP A 14 -7.031 3.077 -0.734 1.00 0.00 C ATOM 224 C TRP A 14 -6.814 1.943 -1.740 1.00 0.00 C ATOM 225 O TRP A 14 -7.513 0.923 -1.694 1.00 0.00 O ATOM 226 CB TRP A 14 -7.776 4.232 -1.408 1.00 0.00 C ATOM 227 CG TRP A 14 -9.165 3.806 -1.785 1.00 0.00 C ATOM 228 CD1 TRP A 14 -10.197 3.662 -0.920 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.693 3.476 -3.105 1.00 0.00 C ATOM 230 NE1 TRP A 14 -11.319 3.262 -1.623 1.00 0.00 N ATOM 231 CE2 TRP A 14 -11.060 3.135 -2.973 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.122 3.440 -4.391 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.833 2.771 -4.074 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.899 3.074 -5.504 1.00 0.00 C ATOM 235 CH2 TRP A 14 -11.251 2.740 -5.345 1.00 0.00 C ATOM 0 H TRP A 14 -5.555 4.543 -0.465 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.617 2.678 0.094 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.821 5.087 -0.734 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.233 4.555 -2.297 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -10.151 3.832 0.146 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -12.228 3.083 -1.196 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.081 3.695 -4.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.874 2.515 -3.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -9.452 3.050 -6.487 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.843 2.459 -6.204 1.00 0.00 H new ATOM 246 N GLU A 15 -5.864 2.142 -2.660 1.00 0.00 N ATOM 247 CA GLU A 15 -5.583 1.146 -3.697 1.00 0.00 C ATOM 248 C GLU A 15 -5.189 -0.203 -3.088 1.00 0.00 C ATOM 249 O GLU A 15 -5.746 -1.231 -3.468 1.00 0.00 O ATOM 250 CB GLU A 15 -4.471 1.647 -4.633 1.00 0.00 C ATOM 251 CG GLU A 15 -4.339 0.696 -5.843 1.00 0.00 C ATOM 252 CD GLU A 15 -3.225 1.140 -6.813 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.774 2.275 -6.721 1.00 0.00 O ATOM 254 OE2 GLU A 15 -2.841 0.329 -7.644 1.00 0.00 O ATOM 0 H GLU A 15 -5.281 2.978 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.497 1.001 -4.273 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.698 2.657 -4.975 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.525 1.698 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.129 -0.313 -5.489 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.289 0.656 -6.377 1.00 0.00 H new ATOM 261 N ILE A 16 -4.242 -0.198 -2.139 1.00 0.00 N ATOM 262 CA ILE A 16 -3.802 -1.446 -1.488 1.00 0.00 C ATOM 263 C ILE A 16 -4.983 -2.162 -0.826 1.00 0.00 C ATOM 264 O ILE A 16 -5.189 -3.363 -1.034 1.00 0.00 O ATOM 265 CB ILE A 16 -2.724 -1.143 -0.425 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.452 -0.608 -1.106 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.377 -2.419 0.366 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.536 0.034 -0.056 1.00 0.00 C ATOM 0 H ILE A 16 -3.770 0.643 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.382 -2.096 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.116 -0.392 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.929 -1.420 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.717 0.124 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.616 -2.189 1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.272 -2.793 0.864 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.998 -3.179 -0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.364 0.412 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.060 0.857 0.429 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.260 -0.711 0.691 1.00 0.00 H new ATOM 280 N ALA A 17 -5.747 -1.412 -0.029 1.00 0.00 N ATOM 281 CA ALA A 17 -6.902 -1.975 0.668 1.00 0.00 C ATOM 282 C ALA A 17 -7.918 -2.546 -0.328 1.00 0.00 C ATOM 283 O ALA A 17 -8.693 -3.443 0.021 1.00 0.00 O ATOM 284 CB ALA A 17 -7.557 -0.897 1.538 1.00 0.00 C ATOM 0 H ALA A 17 -5.587 -0.420 0.148 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.560 -2.791 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.418 -1.321 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.836 -0.533 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.884 -0.070 0.908 1.00 0.00 H new ATOM 290 N LEU A 18 -7.910 -2.021 -1.560 1.00 0.00 N ATOM 291 CA LEU A 18 -8.836 -2.483 -2.601 1.00 0.00 C ATOM 292 C LEU A 18 -8.623 -3.977 -2.901 1.00 0.00 C ATOM 293 O LEU A 18 -9.592 -4.710 -3.121 1.00 0.00 O ATOM 294 CB LEU A 18 -8.631 -1.648 -3.886 1.00 0.00 C ATOM 295 CG LEU A 18 -9.958 -1.431 -4.650 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.608 -2.775 -5.012 1.00 0.00 C ATOM 297 CD2 LEU A 18 -10.932 -0.598 -3.798 1.00 0.00 C ATOM 0 H LEU A 18 -7.276 -1.280 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.857 -2.351 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.199 -0.681 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.916 -2.152 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.733 -0.893 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.540 -2.596 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.930 -3.349 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.816 -3.336 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.862 -0.452 -4.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.139 -1.122 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.485 0.371 -3.578 1.00 0.00 H new ATOM 309 N LEU A 19 -7.359 -4.432 -2.899 1.00 0.00 N ATOM 310 CA LEU A 19 -7.071 -5.848 -3.177 1.00 0.00 C ATOM 311 C LEU A 19 -7.632 -6.733 -2.045 1.00 0.00 C ATOM 312 O LEU A 19 -7.271 -6.549 -0.879 1.00 0.00 O ATOM 313 CB LEU A 19 -5.552 -6.079 -3.316 1.00 0.00 C ATOM 314 CG LEU A 19 -4.954 -5.382 -4.573 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.870 -5.515 -5.800 1.00 0.00 C ATOM 316 CD2 LEU A 19 -4.704 -3.899 -4.293 1.00 0.00 C ATOM 0 H LEU A 19 -6.538 -3.856 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.551 -6.118 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.048 -5.706 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.354 -7.150 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.012 -5.884 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.412 -5.014 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.014 -6.570 -6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.835 -5.056 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.286 -3.426 -5.182 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.645 -3.414 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.003 -3.798 -3.465 1.00 0.00 H new ATOM 328 N PRO A 20 -8.524 -7.667 -2.362 1.00 0.00 N ATOM 329 CA PRO A 20 -9.174 -8.572 -1.354 1.00 0.00 C ATOM 330 C PRO A 20 -8.422 -9.880 -1.053 1.00 0.00 C ATOM 331 O PRO A 20 -8.839 -10.623 -0.160 1.00 0.00 O ATOM 332 CB PRO A 20 -10.502 -8.884 -2.038 1.00 0.00 C ATOM 333 CG PRO A 20 -10.145 -8.997 -3.482 1.00 0.00 C ATOM 334 CD PRO A 20 -9.030 -7.972 -3.721 1.00 0.00 C ATOM 0 HA PRO A 20 -9.228 -8.093 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.938 -9.809 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.234 -8.094 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.807 -10.005 -3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.008 -8.790 -4.115 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.244 -8.379 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.410 -7.078 -4.215 1.00 0.00 H new ATOM 342 N ASN A 21 -7.359 -10.191 -1.811 1.00 0.00 N ATOM 343 CA ASN A 21 -6.629 -11.452 -1.612 1.00 0.00 C ATOM 344 C ASN A 21 -5.360 -11.280 -0.779 1.00 0.00 C ATOM 345 O ASN A 21 -4.686 -12.272 -0.479 1.00 0.00 O ATOM 346 CB ASN A 21 -6.287 -12.069 -2.978 1.00 0.00 C ATOM 347 CG ASN A 21 -5.473 -11.099 -3.832 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.032 -10.051 -3.354 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.257 -11.385 -5.083 1.00 0.00 N ATOM 0 H ASN A 21 -6.991 -9.598 -2.555 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.282 -12.120 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.724 -12.991 -2.833 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.206 -12.335 -3.500 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.723 -10.743 -5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.622 -12.252 -5.478 1.00 0.00 H new ATOM 356 N LEU A 22 -5.040 -10.042 -0.380 1.00 0.00 N ATOM 357 CA LEU A 22 -3.850 -9.823 0.441 1.00 0.00 C ATOM 358 C LEU A 22 -4.132 -10.261 1.867 1.00 0.00 C ATOM 359 O LEU A 22 -5.149 -9.876 2.450 1.00 0.00 O ATOM 360 CB LEU A 22 -3.423 -8.347 0.467 1.00 0.00 C ATOM 361 CG LEU A 22 -3.090 -7.842 -0.941 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.096 -6.307 -0.942 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.693 -8.325 -1.343 1.00 0.00 C ATOM 0 H LEU A 22 -5.573 -9.202 -0.606 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.043 -10.407 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.223 -7.742 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.554 -8.228 1.114 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.831 -8.223 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.860 -5.943 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.082 -5.947 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.351 -5.940 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.458 -7.965 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.958 -7.940 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.668 -9.415 -1.334 1.00 0.00 H new ATOM 375 N ASN A 23 -3.222 -11.059 2.424 1.00 0.00 N ATOM 376 CA ASN A 23 -3.372 -11.543 3.806 1.00 0.00 C ATOM 377 C ASN A 23 -3.619 -10.362 4.758 1.00 0.00 C ATOM 378 O ASN A 23 -3.100 -9.261 4.539 1.00 0.00 O ATOM 379 CB ASN A 23 -2.118 -12.306 4.247 1.00 0.00 C ATOM 380 CG ASN A 23 -2.344 -12.937 5.621 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.930 -12.381 6.639 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.980 -14.073 5.712 1.00 0.00 N ATOM 0 H ASN A 23 -2.380 -11.384 1.950 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.227 -12.218 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.878 -13.080 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.265 -11.628 4.285 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.134 -14.500 6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.323 -14.534 4.869 1.00 0.00 H new ATOM 389 N ASN A 24 -4.433 -10.600 5.796 1.00 0.00 N ATOM 390 CA ASN A 24 -4.781 -9.555 6.772 1.00 0.00 C ATOM 391 C ASN A 24 -3.536 -8.848 7.317 1.00 0.00 C ATOM 392 O ASN A 24 -3.534 -7.624 7.479 1.00 0.00 O ATOM 393 CB ASN A 24 -5.565 -10.176 7.938 1.00 0.00 C ATOM 394 CG ASN A 24 -6.887 -10.755 7.437 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.913 -11.851 6.877 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.992 -10.083 7.609 1.00 0.00 N ATOM 0 H ASN A 24 -4.863 -11.506 5.982 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.393 -8.813 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.971 -10.960 8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.756 -9.421 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.878 -10.466 7.279 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.970 -9.175 8.073 1.00 0.00 H new ATOM 403 N GLN A 25 -2.485 -9.623 7.592 1.00 0.00 N ATOM 404 CA GLN A 25 -1.238 -9.058 8.114 1.00 0.00 C ATOM 405 C GLN A 25 -0.550 -8.186 7.061 1.00 0.00 C ATOM 406 O GLN A 25 -0.032 -7.112 7.376 1.00 0.00 O ATOM 407 CB GLN A 25 -0.287 -10.186 8.547 1.00 0.00 C ATOM 408 CG GLN A 25 -0.890 -10.955 9.733 1.00 0.00 C ATOM 409 CD GLN A 25 0.025 -12.108 10.160 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.771 -12.656 9.346 1.00 0.00 O ATOM 411 NE2 GLN A 25 0.011 -12.511 11.401 1.00 0.00 N ATOM 0 H GLN A 25 -2.471 -10.635 7.464 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.483 -8.437 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.112 -10.866 7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.681 -9.770 8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.042 -10.276 10.572 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.870 -11.346 9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.605 -12.060 12.077 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.616 -13.277 11.695 1.00 0.00 H new ATOM 420 N GLN A 26 -0.539 -8.664 5.815 1.00 0.00 N ATOM 421 CA GLN A 26 0.106 -7.934 4.721 1.00 0.00 C ATOM 422 C GLN A 26 -0.554 -6.577 4.481 1.00 0.00 C ATOM 423 O GLN A 26 0.143 -5.583 4.269 1.00 0.00 O ATOM 424 CB GLN A 26 0.066 -8.768 3.434 1.00 0.00 C ATOM 425 CG GLN A 26 0.937 -10.026 3.609 1.00 0.00 C ATOM 426 CD GLN A 26 0.871 -10.904 2.359 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.285 -11.318 1.923 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 1.902 -11.220 1.764 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.967 -9.548 5.539 1.00 0.00 H new ATOM 0 HA GLN A 26 1.142 -7.756 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.961 -9.053 3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.428 -8.176 2.593 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.970 -9.736 3.802 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.597 -10.592 4.476 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.807 -10.896 2.105 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.851 -11.805 0.930 1.00 0.00 H new ATOM 437 N LYS A 27 -1.894 -6.525 4.516 1.00 0.00 N ATOM 438 CA LYS A 27 -2.602 -5.254 4.292 1.00 0.00 C ATOM 439 C LYS A 27 -2.110 -4.183 5.269 1.00 0.00 C ATOM 440 O LYS A 27 -1.526 -3.174 4.861 1.00 0.00 O ATOM 441 CB LYS A 27 -4.118 -5.438 4.472 1.00 0.00 C ATOM 442 CG LYS A 27 -4.731 -6.134 3.249 1.00 0.00 C ATOM 443 CD LYS A 27 -6.268 -6.013 3.313 1.00 0.00 C ATOM 444 CE LYS A 27 -6.913 -7.399 3.446 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.074 -8.009 2.093 1.00 0.00 N ATOM 0 H LYS A 27 -2.498 -7.327 4.693 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.395 -4.935 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.314 -6.028 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.592 -4.468 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.357 -5.680 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.438 -7.184 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.554 -5.390 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.637 -5.519 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.294 -8.040 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.883 -7.314 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.072 -8.260 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.774 -7.327 1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.488 -8.866 2.026 1.00 0.00 H new ATOM 459 N ARG A 28 -2.347 -4.430 6.556 1.00 0.00 N ATOM 460 CA ARG A 28 -1.933 -3.506 7.613 1.00 0.00 C ATOM 461 C ARG A 28 -0.419 -3.269 7.582 1.00 0.00 C ATOM 462 O ARG A 28 0.044 -2.182 7.938 1.00 0.00 O ATOM 463 CB ARG A 28 -2.334 -4.067 8.989 1.00 0.00 C ATOM 464 CG ARG A 28 -3.865 -4.154 9.101 1.00 0.00 C ATOM 465 CD ARG A 28 -4.258 -4.617 10.510 1.00 0.00 C ATOM 466 NE ARG A 28 -5.700 -4.876 10.575 1.00 0.00 N ATOM 467 CZ ARG A 28 -6.294 -5.309 11.692 1.00 0.00 C ATOM 468 NH1 ARG A 28 -5.600 -5.518 12.778 1.00 0.00 N ATOM 469 NH2 ARG A 28 -7.577 -5.524 11.695 1.00 0.00 N ATOM 0 H ARG A 28 -2.825 -5.265 6.894 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.436 -2.554 7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.895 -5.055 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.940 -3.428 9.779 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.310 -3.181 8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.254 -4.850 8.358 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.707 -5.521 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.985 -3.855 11.240 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.268 -4.721 9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.594 -5.351 12.780 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.064 -5.848 13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.123 -5.362 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.037 -5.854 12.543 1.00 0.00 H new ATOM 483 N ALA A 29 0.343 -4.292 7.175 1.00 0.00 N ATOM 484 CA ALA A 29 1.803 -4.185 7.125 1.00 0.00 C ATOM 485 C ALA A 29 2.245 -3.092 6.149 1.00 0.00 C ATOM 486 O ALA A 29 2.876 -2.116 6.565 1.00 0.00 O ATOM 487 CB ALA A 29 2.422 -5.531 6.725 1.00 0.00 C ATOM 0 H ALA A 29 -0.025 -5.196 6.878 1.00 0.00 H new ATOM 0 HA ALA A 29 2.154 -3.913 8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.507 -5.437 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.146 -6.290 7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.053 -5.823 5.742 1.00 0.00 H new ATOM 493 N PHE A 30 1.918 -3.250 4.856 1.00 0.00 N ATOM 494 CA PHE A 30 2.304 -2.249 3.852 1.00 0.00 C ATOM 495 C PHE A 30 1.672 -0.891 4.158 1.00 0.00 C ATOM 496 O PHE A 30 2.327 0.149 4.021 1.00 0.00 O ATOM 497 CB PHE A 30 1.913 -2.716 2.443 1.00 0.00 C ATOM 498 CG PHE A 30 2.892 -3.781 1.989 1.00 0.00 C ATOM 499 CD1 PHE A 30 4.117 -3.401 1.421 1.00 0.00 C ATOM 500 CD2 PHE A 30 2.593 -5.140 2.149 1.00 0.00 C ATOM 501 CE1 PHE A 30 5.033 -4.376 1.011 1.00 0.00 C ATOM 502 CE2 PHE A 30 3.511 -6.113 1.741 1.00 0.00 C ATOM 503 CZ PHE A 30 4.732 -5.731 1.171 1.00 0.00 C ATOM 0 H PHE A 30 1.397 -4.046 4.487 1.00 0.00 H new ATOM 0 HA PHE A 30 3.387 -2.136 3.892 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.898 -3.114 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.924 -1.874 1.750 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.354 -2.354 1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.652 -5.437 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.974 -4.081 0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.278 -7.160 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.440 -6.483 0.855 1.00 0.00 H new ATOM 513 N ILE A 31 0.401 -0.905 4.591 1.00 0.00 N ATOM 514 CA ILE A 31 -0.308 0.335 4.938 1.00 0.00 C ATOM 515 C ILE A 31 0.448 1.090 6.049 1.00 0.00 C ATOM 516 O ILE A 31 0.563 2.317 6.007 1.00 0.00 O ATOM 517 CB ILE A 31 -1.754 -0.002 5.370 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.561 -0.500 4.140 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.437 1.224 6.008 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.094 0.670 3.298 1.00 0.00 C ATOM 0 H ILE A 31 -0.152 -1.754 4.708 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.351 0.987 4.066 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.723 -0.792 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.926 -1.134 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.395 -1.115 4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.453 0.962 6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.873 1.538 6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.468 2.040 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.653 0.281 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.749 1.290 3.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.258 1.270 2.939 1.00 0.00 H new ATOM 532 N ARG A 32 0.975 0.336 7.021 1.00 0.00 N ATOM 533 CA ARG A 32 1.743 0.919 8.128 1.00 0.00 C ATOM 534 C ARG A 32 3.144 1.335 7.653 1.00 0.00 C ATOM 535 O ARG A 32 3.669 2.376 8.068 1.00 0.00 O ATOM 536 CB ARG A 32 1.858 -0.105 9.273 1.00 0.00 C ATOM 537 CG ARG A 32 2.570 0.510 10.495 1.00 0.00 C ATOM 538 CD ARG A 32 1.633 1.481 11.227 1.00 0.00 C ATOM 539 NE ARG A 32 2.304 2.039 12.403 1.00 0.00 N ATOM 540 CZ ARG A 32 1.684 2.865 13.252 1.00 0.00 C ATOM 541 NH1 ARG A 32 0.441 3.213 13.055 1.00 0.00 N ATOM 542 NH2 ARG A 32 2.327 3.329 14.284 1.00 0.00 N ATOM 0 H ARG A 32 0.884 -0.679 7.064 1.00 0.00 H new ATOM 0 HA ARG A 32 1.223 1.807 8.487 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.864 -0.447 9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.409 -0.980 8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.888 -0.281 11.175 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.470 1.035 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.333 2.285 10.555 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.724 0.962 11.530 1.00 0.00 H new ATOM 0 HE ARG A 32 3.277 1.789 12.580 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.067 2.854 12.247 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.022 3.844 13.709 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.299 3.062 14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.859 3.960 14.935 1.00 0.00 H new ATOM 556 N SER A 33 3.744 0.499 6.791 1.00 0.00 N ATOM 557 CA SER A 33 5.092 0.756 6.262 1.00 0.00 C ATOM 558 C SER A 33 5.183 2.131 5.602 1.00 0.00 C ATOM 559 O SER A 33 6.218 2.797 5.694 1.00 0.00 O ATOM 560 CB SER A 33 5.475 -0.323 5.243 1.00 0.00 C ATOM 561 OG SER A 33 5.440 -1.599 5.870 1.00 0.00 O ATOM 0 H SER A 33 3.317 -0.360 6.446 1.00 0.00 H new ATOM 0 HA SER A 33 5.785 0.732 7.103 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.786 -0.302 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.472 -0.127 4.847 1.00 0.00 H new ATOM 0 HG SER A 33 4.517 -1.816 6.119 1.00 0.00 H new ATOM 567 N LEU A 34 4.094 2.553 4.946 1.00 0.00 N ATOM 568 CA LEU A 34 4.058 3.865 4.281 1.00 0.00 C ATOM 569 C LEU A 34 4.427 4.976 5.266 1.00 0.00 C ATOM 570 O LEU A 34 5.214 5.869 4.937 1.00 0.00 O ATOM 571 CB LEU A 34 2.655 4.122 3.706 1.00 0.00 C ATOM 572 CG LEU A 34 2.560 3.566 2.272 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.128 3.086 1.985 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.941 4.672 1.274 1.00 0.00 C ATOM 0 H LEU A 34 3.233 2.012 4.861 1.00 0.00 H new ATOM 0 HA LEU A 34 4.785 3.863 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.903 3.650 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.445 5.191 3.704 1.00 0.00 H new ATOM 0 HG LEU A 34 3.243 2.723 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.072 2.695 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.859 2.301 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.436 3.922 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.875 4.283 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.258 5.514 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.961 5.004 1.470 1.00 0.00 H new ATOM 586 N TYR A 35 3.868 4.899 6.474 1.00 0.00 N ATOM 587 CA TYR A 35 4.154 5.884 7.517 1.00 0.00 C ATOM 588 C TYR A 35 5.607 5.747 7.990 1.00 0.00 C ATOM 589 O TYR A 35 6.286 6.747 8.233 1.00 0.00 O ATOM 590 CB TYR A 35 3.194 5.687 8.700 1.00 0.00 C ATOM 591 CG TYR A 35 3.392 6.795 9.721 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.733 8.023 9.561 1.00 0.00 C ATOM 593 CD2 TYR A 35 4.238 6.595 10.823 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.919 9.045 10.500 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.421 7.618 11.760 1.00 0.00 C ATOM 596 CZ TYR A 35 3.762 8.843 11.598 1.00 0.00 C ATOM 597 OH TYR A 35 3.944 9.851 12.523 1.00 0.00 O ATOM 0 H TYR A 35 3.216 4.166 6.754 1.00 0.00 H new ATOM 0 HA TYR A 35 4.012 6.884 7.107 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.163 5.687 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.371 4.717 9.165 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.082 8.180 8.714 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.748 5.651 10.948 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.411 9.990 10.376 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.071 7.463 12.609 1.00 0.00 H new ATOM 0 HH TYR A 35 4.559 9.546 13.223 1.00 0.00 H new ATOM 607 N ASP A 36 6.058 4.494 8.134 1.00 0.00 N ATOM 608 CA ASP A 36 7.420 4.209 8.601 1.00 0.00 C ATOM 609 C ASP A 36 8.485 4.800 7.669 1.00 0.00 C ATOM 610 O ASP A 36 9.489 5.340 8.144 1.00 0.00 O ATOM 611 CB ASP A 36 7.622 2.693 8.714 1.00 0.00 C ATOM 612 CG ASP A 36 8.963 2.388 9.388 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.008 2.401 10.608 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.925 2.151 8.674 1.00 0.00 O ATOM 0 H ASP A 36 5.501 3.664 7.934 1.00 0.00 H new ATOM 0 HA ASP A 36 7.537 4.678 9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.808 2.252 9.290 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.593 2.240 7.723 1.00 0.00 H new ATOM 619 N ASP A 37 8.273 4.685 6.350 1.00 0.00 N ATOM 620 CA ASP A 37 9.239 5.205 5.370 1.00 0.00 C ATOM 621 C ASP A 37 8.524 5.706 4.097 1.00 0.00 C ATOM 622 O ASP A 37 8.394 4.969 3.109 1.00 0.00 O ATOM 623 CB ASP A 37 10.275 4.105 5.032 1.00 0.00 C ATOM 624 CG ASP A 37 11.701 4.647 5.194 1.00 0.00 C ATOM 625 OD1 ASP A 37 12.064 5.545 4.450 1.00 0.00 O ATOM 626 OD2 ASP A 37 12.409 4.156 6.060 1.00 0.00 O ATOM 0 H ASP A 37 7.451 4.242 5.940 1.00 0.00 H new ATOM 0 HA ASP A 37 9.759 6.058 5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.129 3.245 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.125 3.757 4.010 1.00 0.00 H new ATOM 631 N PRO A 38 8.060 6.947 4.106 1.00 0.00 N ATOM 632 CA PRO A 38 7.347 7.560 2.935 1.00 0.00 C ATOM 633 C PRO A 38 8.164 7.489 1.640 1.00 0.00 C ATOM 634 O PRO A 38 7.606 7.545 0.542 1.00 0.00 O ATOM 635 CB PRO A 38 7.134 9.021 3.353 1.00 0.00 C ATOM 636 CG PRO A 38 7.207 9.026 4.844 1.00 0.00 C ATOM 637 CD PRO A 38 8.161 7.901 5.231 1.00 0.00 C ATOM 0 HA PRO A 38 6.421 7.030 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.898 9.668 2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.169 9.391 3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.569 9.986 5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.221 8.868 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.180 8.266 5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.871 7.438 6.175 1.00 0.00 H new ATOM 645 N SER A 39 9.485 7.382 1.780 1.00 0.00 N ATOM 646 CA SER A 39 10.377 7.321 0.621 1.00 0.00 C ATOM 647 C SER A 39 10.095 6.091 -0.251 1.00 0.00 C ATOM 648 O SER A 39 10.369 6.115 -1.453 1.00 0.00 O ATOM 649 CB SER A 39 11.837 7.291 1.083 1.00 0.00 C ATOM 650 OG SER A 39 12.111 6.051 1.727 1.00 0.00 O ATOM 0 H SER A 39 9.961 7.336 2.681 1.00 0.00 H new ATOM 0 HA SER A 39 10.194 8.212 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.502 7.423 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.029 8.117 1.767 1.00 0.00 H new ATOM 0 HG SER A 39 12.022 6.160 2.697 1.00 0.00 H new ATOM 656 N GLN A 40 9.577 5.015 0.363 1.00 0.00 N ATOM 657 CA GLN A 40 9.295 3.773 -0.371 1.00 0.00 C ATOM 658 C GLN A 40 7.831 3.681 -0.819 1.00 0.00 C ATOM 659 O GLN A 40 7.413 2.630 -1.306 1.00 0.00 O ATOM 660 CB GLN A 40 9.625 2.559 0.517 1.00 0.00 C ATOM 661 CG GLN A 40 11.108 2.582 0.919 1.00 0.00 C ATOM 662 CD GLN A 40 11.502 1.301 1.670 1.00 0.00 C ATOM 663 OE1 GLN A 40 10.599 0.404 1.968 1.00 0.00 O flip ATOM 664 NE2 GLN A 40 12.674 1.118 1.999 1.00 0.00 N flip ATOM 0 H GLN A 40 9.347 4.980 1.356 1.00 0.00 H new ATOM 0 HA GLN A 40 9.920 3.777 -1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.999 2.571 1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.400 1.636 -0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.727 2.689 0.028 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.303 3.450 1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.383 1.814 1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.936 0.270 2.501 1.00 0.00 H new ATOM 673 N SER A 41 7.054 4.763 -0.651 1.00 0.00 N ATOM 674 CA SER A 41 5.625 4.754 -1.030 1.00 0.00 C ATOM 675 C SER A 41 5.396 4.110 -2.402 1.00 0.00 C ATOM 676 O SER A 41 4.442 3.344 -2.583 1.00 0.00 O ATOM 677 CB SER A 41 5.071 6.184 -1.047 1.00 0.00 C ATOM 678 OG SER A 41 5.124 6.729 0.264 1.00 0.00 O ATOM 0 H SER A 41 7.382 5.646 -0.261 1.00 0.00 H new ATOM 0 HA SER A 41 5.101 4.158 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.651 6.802 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.043 6.183 -1.410 1.00 0.00 H new ATOM 0 HG SER A 41 5.847 7.388 0.315 1.00 0.00 H new ATOM 684 N ALA A 42 6.280 4.410 -3.351 1.00 0.00 N ATOM 685 CA ALA A 42 6.176 3.848 -4.697 1.00 0.00 C ATOM 686 C ALA A 42 6.439 2.341 -4.678 1.00 0.00 C ATOM 687 O ALA A 42 5.712 1.564 -5.308 1.00 0.00 O ATOM 688 CB ALA A 42 7.187 4.532 -5.621 1.00 0.00 C ATOM 0 H ALA A 42 7.073 5.036 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 42 5.165 4.020 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.107 4.111 -6.623 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.980 5.601 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.195 4.371 -5.239 1.00 0.00 H new ATOM 694 N ASN A 43 7.493 1.942 -3.960 1.00 0.00 N ATOM 695 CA ASN A 43 7.874 0.529 -3.867 1.00 0.00 C ATOM 696 C ASN A 43 6.835 -0.287 -3.100 1.00 0.00 C ATOM 697 O ASN A 43 6.435 -1.356 -3.550 1.00 0.00 O ATOM 698 CB ASN A 43 9.228 0.386 -3.153 1.00 0.00 C ATOM 699 CG ASN A 43 10.345 1.107 -3.913 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.179 1.501 -5.070 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.490 1.291 -3.320 1.00 0.00 N ATOM 0 H ASN A 43 8.096 2.576 -3.436 1.00 0.00 H new ATOM 0 HA ASN A 43 7.941 0.149 -4.887 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.153 0.792 -2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.478 -0.670 -3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.250 1.761 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.627 0.965 -2.363 1.00 0.00 H new ATOM 708 N LEU A 44 6.423 0.216 -1.933 1.00 0.00 N ATOM 709 CA LEU A 44 5.450 -0.484 -1.090 1.00 0.00 C ATOM 710 C LEU A 44 4.148 -0.750 -1.848 1.00 0.00 C ATOM 711 O LEU A 44 3.611 -1.858 -1.794 1.00 0.00 O ATOM 712 CB LEU A 44 5.135 0.356 0.146 1.00 0.00 C ATOM 713 CG LEU A 44 6.407 0.632 0.984 1.00 0.00 C ATOM 714 CD1 LEU A 44 6.060 1.580 2.140 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.966 -0.678 1.561 1.00 0.00 C ATOM 0 H LEU A 44 6.748 1.104 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 44 5.889 -1.438 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.687 1.302 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.398 -0.161 0.761 1.00 0.00 H new ATOM 0 HG LEU A 44 7.159 1.086 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.955 1.775 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.678 2.519 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.301 1.120 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.860 -0.465 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.216 -1.144 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.220 -1.356 0.746 1.00 0.00 H new ATOM 727 N LEU A 45 3.650 0.272 -2.558 1.00 0.00 N ATOM 728 CA LEU A 45 2.411 0.137 -3.338 1.00 0.00 C ATOM 729 C LEU A 45 2.574 -0.958 -4.394 1.00 0.00 C ATOM 730 O LEU A 45 1.738 -1.861 -4.512 1.00 0.00 O ATOM 731 CB LEU A 45 2.085 1.485 -4.005 1.00 0.00 C ATOM 732 CG LEU A 45 0.914 1.347 -5.006 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.346 0.838 -4.291 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.623 2.715 -5.641 1.00 0.00 C ATOM 0 H LEU A 45 4.082 1.195 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 45 1.590 -0.144 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.829 2.219 -3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.968 1.860 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 45 1.193 0.631 -5.779 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.160 0.747 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.143 -0.136 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.630 1.542 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.202 2.620 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.354 3.428 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.511 3.069 -6.166 1.00 0.00 H new ATOM 746 N ALA A 46 3.677 -0.871 -5.136 1.00 0.00 N ATOM 747 CA ALA A 46 3.986 -1.859 -6.175 1.00 0.00 C ATOM 748 C ALA A 46 4.139 -3.245 -5.544 1.00 0.00 C ATOM 749 O ALA A 46 3.671 -4.247 -6.091 1.00 0.00 O ATOM 750 CB ALA A 46 5.285 -1.473 -6.891 1.00 0.00 C ATOM 0 H ALA A 46 4.371 -0.130 -5.040 1.00 0.00 H new ATOM 0 HA ALA A 46 3.171 -1.881 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.509 -2.211 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.169 -0.492 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.102 -1.442 -6.170 1.00 0.00 H new ATOM 756 N GLU A 47 4.789 -3.274 -4.379 1.00 0.00 N ATOM 757 CA GLU A 47 5.011 -4.511 -3.634 1.00 0.00 C ATOM 758 C GLU A 47 3.681 -5.113 -3.176 1.00 0.00 C ATOM 759 O GLU A 47 3.499 -6.334 -3.205 1.00 0.00 O ATOM 760 CB GLU A 47 5.897 -4.216 -2.414 1.00 0.00 C ATOM 761 CG GLU A 47 7.376 -4.104 -2.840 1.00 0.00 C ATOM 762 CD GLU A 47 7.912 -5.463 -3.309 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.884 -6.400 -2.523 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.356 -5.548 -4.444 1.00 0.00 O ATOM 0 H GLU A 47 5.174 -2.444 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 47 5.507 -5.231 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.577 -3.288 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.784 -5.008 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.474 -3.373 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.974 -3.741 -2.004 1.00 0.00 H new ATOM 771 N ALA A 48 2.754 -4.248 -2.761 1.00 0.00 N ATOM 772 CA ALA A 48 1.444 -4.704 -2.310 1.00 0.00 C ATOM 773 C ALA A 48 0.702 -5.350 -3.475 1.00 0.00 C ATOM 774 O ALA A 48 0.140 -6.441 -3.339 1.00 0.00 O ATOM 775 CB ALA A 48 0.636 -3.523 -1.769 1.00 0.00 C ATOM 0 H ALA A 48 2.887 -3.237 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 48 1.573 -5.436 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.341 -3.873 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.167 -3.073 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.505 -2.781 -2.556 1.00 0.00 H new ATOM 781 N LYS A 49 0.722 -4.672 -4.624 1.00 0.00 N ATOM 782 CA LYS A 49 0.065 -5.184 -5.819 1.00 0.00 C ATOM 783 C LYS A 49 0.722 -6.496 -6.258 1.00 0.00 C ATOM 784 O LYS A 49 0.057 -7.382 -6.796 1.00 0.00 O ATOM 785 CB LYS A 49 0.141 -4.142 -6.938 1.00 0.00 C ATOM 786 CG LYS A 49 -0.944 -4.430 -7.986 1.00 0.00 C ATOM 787 CD LYS A 49 -0.995 -3.279 -9.005 1.00 0.00 C ATOM 788 CE LYS A 49 -2.442 -2.800 -9.196 1.00 0.00 C ATOM 789 NZ LYS A 49 -2.441 -1.466 -9.866 1.00 0.00 N ATOM 0 H LYS A 49 1.185 -3.772 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.984 -5.382 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.007 -3.142 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.126 -4.165 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.732 -5.370 -8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.913 -4.542 -7.500 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.373 -2.452 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.585 -3.611 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.998 -3.520 -9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.945 -2.734 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.211 -1.428 -10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.581 -0.720 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.530 -1.319 -10.346 1.00 0.00 H new ATOM 803 N LYS A 50 2.038 -6.610 -6.010 1.00 0.00 N ATOM 804 CA LYS A 50 2.789 -7.817 -6.359 1.00 0.00 C ATOM 805 C LYS A 50 2.206 -9.025 -5.621 1.00 0.00 C ATOM 806 O LYS A 50 1.995 -10.086 -6.213 1.00 0.00 O ATOM 807 CB LYS A 50 4.260 -7.626 -5.973 1.00 0.00 C ATOM 808 CG LYS A 50 5.112 -8.772 -6.537 1.00 0.00 C ATOM 809 CD LYS A 50 6.599 -8.478 -6.285 1.00 0.00 C ATOM 810 CE LYS A 50 6.949 -8.731 -4.812 1.00 0.00 C ATOM 811 NZ LYS A 50 8.392 -8.429 -4.588 1.00 0.00 N ATOM 0 H LYS A 50 2.598 -5.880 -5.570 1.00 0.00 H new ATOM 0 HA LYS A 50 2.716 -7.994 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.622 -6.672 -6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.357 -7.592 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.832 -9.714 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.929 -8.884 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.215 -9.109 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.822 -7.444 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.331 -8.106 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.738 -9.768 -4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.656 -8.696 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.969 -8.969 -5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.559 -7.412 -4.725 1.00 0.00 H new ATOM 825 N LEU A 51 1.924 -8.830 -4.329 1.00 0.00 N ATOM 826 CA LEU A 51 1.334 -9.884 -3.503 1.00 0.00 C ATOM 827 C LEU A 51 -0.050 -10.250 -4.037 1.00 0.00 C ATOM 828 O LEU A 51 -0.417 -11.427 -4.076 1.00 0.00 O ATOM 829 CB LEU A 51 1.240 -9.407 -2.044 1.00 0.00 C ATOM 830 CG LEU A 51 2.637 -9.451 -1.400 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.629 -8.645 -0.099 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.034 -10.908 -1.102 1.00 0.00 C ATOM 0 H LEU A 51 2.095 -7.954 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 51 1.966 -10.771 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.842 -8.393 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.550 -10.041 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 51 3.361 -9.019 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.619 -8.678 0.355 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.362 -7.610 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.900 -9.072 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.024 -10.929 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.310 -11.350 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.050 -11.478 -2.031 1.00 0.00 H new ATOM 844 N ASN A 52 -0.800 -9.231 -4.465 1.00 0.00 N ATOM 845 CA ASN A 52 -2.136 -9.443 -5.026 1.00 0.00 C ATOM 846 C ASN A 52 -2.047 -10.277 -6.303 1.00 0.00 C ATOM 847 O ASN A 52 -2.777 -11.257 -6.473 1.00 0.00 O ATOM 848 CB ASN A 52 -2.785 -8.082 -5.322 1.00 0.00 C ATOM 849 CG ASN A 52 -4.047 -8.238 -6.179 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.160 -8.627 -5.629 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -4.013 -7.996 -7.385 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.506 -8.255 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.748 -9.984 -4.305 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.039 -7.587 -4.385 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.070 -7.441 -5.838 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.142 -7.691 -7.820 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.856 -8.101 -7.950 1.00 0.00 H new ATOM 858 N ASP A 53 -1.147 -9.869 -7.197 1.00 0.00 N ATOM 859 CA ASP A 53 -0.959 -10.565 -8.467 1.00 0.00 C ATOM 860 C ASP A 53 -0.490 -12.001 -8.247 1.00 0.00 C ATOM 861 O ASP A 53 -0.887 -12.908 -8.984 1.00 0.00 O ATOM 862 CB ASP A 53 0.070 -9.808 -9.318 1.00 0.00 C ATOM 863 CG ASP A 53 0.185 -10.431 -10.713 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.627 -10.095 -11.560 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.081 -11.237 -10.912 1.00 0.00 O ATOM 0 H ASP A 53 -0.538 -9.061 -7.065 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.917 -10.598 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.222 -8.762 -9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.042 -9.828 -8.825 1.00 0.00 H new ATOM 870 N ALA A 54 0.384 -12.192 -7.258 1.00 0.00 N ATOM 871 CA ALA A 54 0.936 -13.516 -6.981 1.00 0.00 C ATOM 872 C ALA A 54 -0.078 -14.439 -6.292 1.00 0.00 C ATOM 873 O ALA A 54 -0.293 -15.570 -6.738 1.00 0.00 O ATOM 874 CB ALA A 54 2.184 -13.382 -6.102 1.00 0.00 C ATOM 0 H ALA A 54 0.722 -11.453 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 54 1.194 -13.967 -7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.593 -14.371 -5.897 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.931 -12.781 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.917 -12.898 -5.162 1.00 0.00 H new ATOM 880 N GLN A 55 -0.684 -13.959 -5.200 1.00 0.00 N ATOM 881 CA GLN A 55 -1.660 -14.757 -4.444 1.00 0.00 C ATOM 882 C GLN A 55 -2.927 -15.027 -5.261 1.00 0.00 C ATOM 883 O GLN A 55 -3.610 -16.029 -5.031 1.00 0.00 O ATOM 884 CB GLN A 55 -2.028 -14.052 -3.127 1.00 0.00 C ATOM 885 CG GLN A 55 -0.799 -13.985 -2.209 1.00 0.00 C ATOM 886 CD GLN A 55 -1.086 -13.044 -1.047 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.463 -11.824 -1.303 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -0.969 -13.427 0.117 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.518 -13.027 -4.820 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.192 -15.716 -4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.394 -13.046 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.835 -14.590 -2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.557 -14.980 -1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.068 -13.635 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.673 -14.384 0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.168 -12.788 0.887 1.00 0.00 H new ATOM 897 N ALA A 56 -3.240 -14.126 -6.199 1.00 0.00 N ATOM 898 CA ALA A 56 -4.437 -14.268 -7.036 1.00 0.00 C ATOM 899 C ALA A 56 -4.438 -15.612 -7.785 1.00 0.00 C ATOM 900 O ALA A 56 -3.378 -16.104 -8.182 1.00 0.00 O ATOM 901 CB ALA A 56 -4.505 -13.121 -8.048 1.00 0.00 C ATOM 0 H ALA A 56 -2.684 -13.294 -6.397 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.309 -14.237 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.396 -13.233 -8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.549 -12.170 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.619 -13.142 -8.682 1.00 0.00 H new ATOM 907 N PRO A 57 -5.604 -16.209 -7.984 1.00 0.00 N ATOM 908 CA PRO A 57 -5.736 -17.519 -8.700 1.00 0.00 C ATOM 909 C PRO A 57 -5.555 -17.378 -10.213 1.00 0.00 C ATOM 910 O PRO A 57 -5.815 -16.314 -10.783 1.00 0.00 O ATOM 911 CB PRO A 57 -7.158 -17.977 -8.355 1.00 0.00 C ATOM 912 CG PRO A 57 -7.922 -16.719 -8.113 1.00 0.00 C ATOM 913 CD PRO A 57 -6.926 -15.701 -7.554 1.00 0.00 C ATOM 0 HA PRO A 57 -4.968 -18.230 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.595 -18.554 -9.170 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.163 -18.617 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.370 -16.355 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.737 -16.890 -7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.115 -14.702 -7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.993 -15.634 -6.468 1.00 0.00 H new ATOM 921 N LYS A 58 -5.113 -18.466 -10.851 1.00 0.00 N ATOM 922 CA LYS A 58 -4.896 -18.480 -12.302 1.00 0.00 C ATOM 923 C LYS A 58 -6.229 -18.641 -13.041 1.00 0.00 C ATOM 924 O LYS A 58 -6.521 -17.812 -13.891 1.00 0.00 O ATOM 925 CB LYS A 58 -3.952 -19.636 -12.685 1.00 0.00 C ATOM 926 CG LYS A 58 -2.626 -19.534 -11.907 1.00 0.00 C ATOM 927 CD LYS A 58 -1.852 -18.273 -12.332 1.00 0.00 C ATOM 928 CE LYS A 58 -0.482 -18.239 -11.640 1.00 0.00 C ATOM 929 NZ LYS A 58 0.344 -19.396 -12.096 1.00 0.00 N ATOM 930 OXT LYS A 58 -6.941 -19.589 -12.749 1.00 0.00 O ATOM 0 H LYS A 58 -4.898 -19.348 -10.386 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.442 -17.532 -12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.432 -20.591 -12.472 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.754 -19.611 -13.757 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.827 -19.502 -10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.019 -20.421 -12.091 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.722 -18.264 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.422 -17.381 -12.072 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.028 -17.303 -11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.610 -18.276 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.348 -19.200 -11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.057 -20.252 -11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.203 -19.543 -13.116 1.00 0.00 H new