USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=13 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= -3.63! C(o=-6.4!,f=-3.4!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.186 F(o=-6.4!,f=-3.4) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.653 K(o=1.5,f=-1.4) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.817 K(o=1.5,f=-0.95) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.389 K(o=-0.85,f=-5.8!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.463 F(o=-2.9,f=-0.85) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -154:sc= -0.18 (180deg=-1.14) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.218 F(o=-0.94,f=-0.22) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.294 K(o=0.29,f=-2.1!) USER MOD Single : A 24 ASN : amide:sc= -0.0278 X(o=-0.028,f=-0.028) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= 1.56 (180deg=1.33) USER MOD Single : A 33 SER OG : rot 80:sc= 1.26 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 107:sc= 0.699 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00674 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.575 (180deg=0.507) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.138 (180deg=-0.734) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.879 13.596 -0.275 1.00 0.00 N ATOM 100 CA LYS A 7 -1.232 13.191 -1.643 1.00 0.00 C ATOM 101 C LYS A 7 -0.790 11.759 -1.979 1.00 0.00 C ATOM 102 O LYS A 7 -1.634 10.883 -2.197 1.00 0.00 O ATOM 103 CB LYS A 7 -0.632 14.172 -2.652 1.00 0.00 C ATOM 104 CG LYS A 7 -1.476 15.448 -2.649 1.00 0.00 C ATOM 105 CD LYS A 7 -1.029 16.378 -3.775 1.00 0.00 C ATOM 106 CE LYS A 7 -1.996 17.558 -3.849 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.750 18.330 -5.102 1.00 0.00 N ATOM 0 HA LYS A 7 -2.320 13.209 -1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.401 14.401 -2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.618 13.730 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.529 15.196 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.379 15.955 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.014 16.732 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.014 15.842 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.025 17.200 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.865 18.204 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.409 19.133 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.772 18.684 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.897 17.712 -5.925 1.00 0.00 H new ATOM 121 N GLU A 8 0.525 11.536 -2.038 1.00 0.00 N ATOM 122 CA GLU A 8 1.068 10.214 -2.381 1.00 0.00 C ATOM 123 C GLU A 8 0.608 9.138 -1.391 1.00 0.00 C ATOM 124 O GLU A 8 0.334 7.995 -1.788 1.00 0.00 O ATOM 125 CB GLU A 8 2.604 10.271 -2.399 1.00 0.00 C ATOM 126 CG GLU A 8 3.080 11.208 -3.520 1.00 0.00 C ATOM 127 CD GLU A 8 4.609 11.201 -3.599 1.00 0.00 C ATOM 128 OE1 GLU A 8 5.230 11.844 -2.766 1.00 0.00 O ATOM 129 OE2 GLU A 8 5.138 10.551 -4.488 1.00 0.00 O ATOM 0 H GLU A 8 1.232 12.248 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 8 0.693 9.947 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.975 10.624 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.012 9.272 -2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.658 10.891 -4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.722 12.221 -3.334 1.00 0.00 H new ATOM 136 N MET A 9 0.536 9.507 -0.110 1.00 0.00 N ATOM 137 CA MET A 9 0.122 8.567 0.931 1.00 0.00 C ATOM 138 C MET A 9 -1.297 8.059 0.682 1.00 0.00 C ATOM 139 O MET A 9 -1.525 6.849 0.659 1.00 0.00 O ATOM 140 CB MET A 9 0.200 9.249 2.304 1.00 0.00 C ATOM 141 CG MET A 9 -0.018 8.217 3.420 1.00 0.00 C ATOM 142 SD MET A 9 -0.122 9.060 5.022 1.00 0.00 S ATOM 143 CE MET A 9 1.553 9.748 5.042 1.00 0.00 C ATOM 0 H MET A 9 0.757 10.443 0.228 1.00 0.00 H new ATOM 0 HA MET A 9 0.797 7.711 0.909 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.171 9.728 2.426 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.553 10.034 2.372 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.933 7.654 3.234 1.00 0.00 H new ATOM 0 HG3 MET A 9 0.802 7.499 3.429 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.871 9.900 6.073 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.236 9.056 4.550 1.00 0.00 H new ATOM 0 HE3 MET A 9 1.561 10.702 4.515 1.00 0.00 H new ATOM 153 N ARG A 10 -2.242 8.988 0.494 1.00 0.00 N ATOM 154 CA ARG A 10 -3.642 8.624 0.250 1.00 0.00 C ATOM 155 C ARG A 10 -3.794 7.756 -1.003 1.00 0.00 C ATOM 156 O ARG A 10 -4.640 6.856 -1.033 1.00 0.00 O ATOM 157 CB ARG A 10 -4.503 9.888 0.113 1.00 0.00 C ATOM 158 CG ARG A 10 -4.650 10.574 1.482 1.00 0.00 C ATOM 159 CD ARG A 10 -5.513 11.837 1.345 1.00 0.00 C ATOM 160 NE ARG A 10 -5.507 12.593 2.600 1.00 0.00 N ATOM 161 CZ ARG A 10 -6.164 13.748 2.735 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.846 14.249 1.739 1.00 0.00 N ATOM 163 NH2 ARG A 10 -6.125 14.383 3.871 1.00 0.00 N ATOM 0 H ARG A 10 -2.064 9.992 0.506 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.982 8.041 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.046 10.574 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.486 9.628 -0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.106 9.887 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.667 10.835 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.133 12.460 0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.535 11.562 1.083 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.985 12.226 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.881 13.757 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.344 15.132 1.855 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.594 13.998 4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.625 15.265 3.979 1.00 0.00 H new ATOM 177 N ASN A 11 -2.987 8.036 -2.034 1.00 0.00 N ATOM 178 CA ASN A 11 -3.063 7.273 -3.285 1.00 0.00 C ATOM 179 C ASN A 11 -2.773 5.786 -3.051 1.00 0.00 C ATOM 180 O ASN A 11 -3.633 4.938 -3.317 1.00 0.00 O ATOM 181 CB ASN A 11 -2.074 7.839 -4.317 1.00 0.00 C ATOM 182 CG ASN A 11 -2.580 9.174 -4.869 1.00 0.00 C ATOM 183 OD1 ASN A 11 -1.798 10.216 -4.857 1.00 0.00 O flip ATOM 184 ND2 ASN A 11 -3.719 9.268 -5.328 1.00 0.00 N flip ATOM 0 H ASN A 11 -2.284 8.775 -2.028 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.079 7.367 -3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.096 7.977 -3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.944 7.128 -5.132 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.333 8.454 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.048 10.160 -5.698 1.00 0.00 H new ATOM 191 N ALA A 12 -1.567 5.470 -2.559 1.00 0.00 N ATOM 192 CA ALA A 12 -1.201 4.066 -2.311 1.00 0.00 C ATOM 193 C ALA A 12 -2.006 3.473 -1.146 1.00 0.00 C ATOM 194 O ALA A 12 -2.241 2.266 -1.110 1.00 0.00 O ATOM 195 CB ALA A 12 0.305 3.930 -2.039 1.00 0.00 C ATOM 0 H ALA A 12 -0.842 6.149 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.444 3.503 -3.212 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.549 2.883 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.865 4.290 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.571 4.521 -1.162 1.00 0.00 H new ATOM 201 N TYR A 13 -2.425 4.325 -0.198 1.00 0.00 N ATOM 202 CA TYR A 13 -3.203 3.869 0.966 1.00 0.00 C ATOM 203 C TYR A 13 -4.473 3.132 0.526 1.00 0.00 C ATOM 204 O TYR A 13 -4.661 1.949 0.837 1.00 0.00 O ATOM 205 CB TYR A 13 -3.579 5.093 1.832 1.00 0.00 C ATOM 206 CG TYR A 13 -4.495 4.701 2.983 1.00 0.00 C ATOM 207 CD1 TYR A 13 -5.885 4.647 2.789 1.00 0.00 C ATOM 208 CD2 TYR A 13 -3.957 4.405 4.242 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.729 4.299 3.850 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.805 4.056 5.302 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.189 4.003 5.105 1.00 0.00 C ATOM 212 OH TYR A 13 -7.022 3.659 6.150 1.00 0.00 O ATOM 0 H TYR A 13 -2.240 5.328 -0.213 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.595 3.174 1.545 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.673 5.553 2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.072 5.841 1.212 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.303 4.874 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.889 4.446 4.396 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.798 4.259 3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.389 3.828 6.272 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.486 3.483 6.951 1.00 0.00 H new ATOM 222 N TRP A 14 -5.341 3.850 -0.183 1.00 0.00 N ATOM 223 CA TRP A 14 -6.607 3.291 -0.654 1.00 0.00 C ATOM 224 C TRP A 14 -6.401 2.206 -1.715 1.00 0.00 C ATOM 225 O TRP A 14 -7.094 1.185 -1.700 1.00 0.00 O ATOM 226 CB TRP A 14 -7.465 4.423 -1.226 1.00 0.00 C ATOM 227 CG TRP A 14 -8.850 3.926 -1.521 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.839 3.795 -0.604 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.418 3.499 -2.795 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.972 3.316 -1.233 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.764 3.118 -2.583 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.901 3.407 -4.101 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.570 2.662 -3.627 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.710 2.948 -5.155 1.00 0.00 C ATOM 235 CH2 TRP A 14 -11.041 2.576 -4.917 1.00 0.00 C ATOM 0 H TRP A 14 -5.190 4.824 -0.445 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.108 2.821 0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.511 5.249 -0.516 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.008 4.811 -2.137 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -9.755 4.027 0.447 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.855 3.131 -0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.877 3.691 -4.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.595 2.378 -3.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -9.304 2.881 -6.154 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.657 2.223 -5.731 1.00 0.00 H new ATOM 246 N GLU A 15 -5.472 2.446 -2.649 1.00 0.00 N ATOM 247 CA GLU A 15 -5.215 1.492 -3.734 1.00 0.00 C ATOM 248 C GLU A 15 -4.767 0.129 -3.192 1.00 0.00 C ATOM 249 O GLU A 15 -5.274 -0.908 -3.628 1.00 0.00 O ATOM 250 CB GLU A 15 -4.153 2.063 -4.687 1.00 0.00 C ATOM 251 CG GLU A 15 -4.048 1.181 -5.950 1.00 0.00 C ATOM 252 CD GLU A 15 -2.999 1.722 -6.945 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.352 2.720 -6.652 1.00 0.00 O ATOM 254 OE2 GLU A 15 -2.861 1.121 -7.999 1.00 0.00 O ATOM 0 H GLU A 15 -4.891 3.284 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.146 1.339 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.415 3.083 -4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.187 2.108 -4.184 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.784 0.164 -5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.021 1.131 -6.440 1.00 0.00 H new ATOM 261 N ILE A 16 -3.830 0.128 -2.239 1.00 0.00 N ATOM 262 CA ILE A 16 -3.350 -1.127 -1.651 1.00 0.00 C ATOM 263 C ILE A 16 -4.483 -1.830 -0.896 1.00 0.00 C ATOM 264 O ILE A 16 -4.701 -3.035 -1.069 1.00 0.00 O ATOM 265 CB ILE A 16 -2.162 -0.852 -0.704 1.00 0.00 C ATOM 266 CG1 ILE A 16 -0.953 -0.369 -1.529 1.00 0.00 C ATOM 267 CG2 ILE A 16 -1.779 -2.132 0.065 1.00 0.00 C ATOM 268 CD1 ILE A 16 0.135 0.177 -0.596 1.00 0.00 C ATOM 0 H ILE A 16 -3.394 0.969 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.012 -1.782 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.453 -0.085 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.555 -1.192 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.266 0.406 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.940 -1.921 0.728 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.631 -2.471 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.495 -2.911 -0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.985 0.516 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.264 1.013 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.458 -0.610 0.086 1.00 0.00 H new ATOM 280 N ALA A 17 -5.185 -1.068 -0.055 1.00 0.00 N ATOM 281 CA ALA A 17 -6.286 -1.611 0.743 1.00 0.00 C ATOM 282 C ALA A 17 -7.373 -2.225 -0.147 1.00 0.00 C ATOM 283 O ALA A 17 -8.081 -3.144 0.278 1.00 0.00 O ATOM 284 CB ALA A 17 -6.897 -0.501 1.605 1.00 0.00 C ATOM 0 H ALA A 17 -5.011 -0.074 0.091 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.883 -2.398 1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.716 -0.909 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.135 -0.096 2.271 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.276 0.293 0.961 1.00 0.00 H new ATOM 290 N LEU A 18 -7.505 -1.697 -1.370 1.00 0.00 N ATOM 291 CA LEU A 18 -8.515 -2.177 -2.320 1.00 0.00 C ATOM 292 C LEU A 18 -8.340 -3.670 -2.624 1.00 0.00 C ATOM 293 O LEU A 18 -9.332 -4.382 -2.808 1.00 0.00 O ATOM 294 CB LEU A 18 -8.431 -1.368 -3.626 1.00 0.00 C ATOM 295 CG LEU A 18 -9.614 -1.712 -4.556 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.929 -1.184 -3.960 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.383 -1.067 -5.931 1.00 0.00 C ATOM 0 H LEU A 18 -6.925 -0.937 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.495 -2.039 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.437 -0.302 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.490 -1.581 -4.132 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.681 -2.795 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.756 -1.433 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.097 -1.642 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.868 -0.102 -3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.217 -1.308 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.311 0.015 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.458 -1.450 -6.361 1.00 0.00 H new ATOM 309 N LEU A 19 -7.084 -4.140 -2.681 1.00 0.00 N ATOM 310 CA LEU A 19 -6.817 -5.555 -2.974 1.00 0.00 C ATOM 311 C LEU A 19 -7.420 -6.438 -1.860 1.00 0.00 C ATOM 312 O LEU A 19 -7.088 -6.265 -0.685 1.00 0.00 O ATOM 313 CB LEU A 19 -5.297 -5.780 -3.092 1.00 0.00 C ATOM 314 CG LEU A 19 -4.811 -5.646 -4.561 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.537 -4.510 -5.304 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.304 -5.355 -4.571 1.00 0.00 C ATOM 0 H LEU A 19 -6.251 -3.571 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.281 -5.830 -3.921 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.772 -5.057 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.045 -6.771 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.031 -6.584 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.168 -4.450 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.609 -4.710 -5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.350 -3.564 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.959 -5.260 -5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.109 -4.426 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.772 -6.172 -4.084 1.00 0.00 H new ATOM 328 N PRO A 20 -8.328 -7.343 -2.207 1.00 0.00 N ATOM 329 CA PRO A 20 -9.038 -8.233 -1.224 1.00 0.00 C ATOM 330 C PRO A 20 -8.342 -9.560 -0.876 1.00 0.00 C ATOM 331 O PRO A 20 -8.662 -10.158 0.156 1.00 0.00 O ATOM 332 CB PRO A 20 -10.343 -8.519 -1.963 1.00 0.00 C ATOM 333 CG PRO A 20 -9.929 -8.632 -3.393 1.00 0.00 C ATOM 334 CD PRO A 20 -8.795 -7.625 -3.587 1.00 0.00 C ATOM 0 HA PRO A 20 -9.112 -7.744 -0.252 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.810 -9.438 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.068 -7.717 -1.819 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.595 -9.644 -3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.764 -8.412 -4.059 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.996 -8.037 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.145 -6.720 -4.083 1.00 0.00 H new ATOM 342 N ASN A 21 -7.447 -10.050 -1.743 1.00 0.00 N ATOM 343 CA ASN A 21 -6.793 -11.345 -1.505 1.00 0.00 C ATOM 344 C ASN A 21 -5.499 -11.229 -0.695 1.00 0.00 C ATOM 345 O ASN A 21 -4.873 -12.249 -0.392 1.00 0.00 O ATOM 346 CB ASN A 21 -6.528 -12.041 -2.849 1.00 0.00 C ATOM 347 CG ASN A 21 -5.633 -11.188 -3.743 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.215 -10.091 -3.366 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.323 -11.627 -4.927 1.00 0.00 N ATOM 0 H ASN A 21 -7.162 -9.580 -2.602 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.474 -11.944 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.057 -13.008 -2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.474 -12.234 -3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.735 -11.064 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.668 -12.534 -5.241 1.00 0.00 H new ATOM 356 N LEU A 22 -5.110 -10.006 -0.318 1.00 0.00 N ATOM 357 CA LEU A 22 -3.898 -9.832 0.486 1.00 0.00 C ATOM 358 C LEU A 22 -4.155 -10.303 1.909 1.00 0.00 C ATOM 359 O LEU A 22 -5.215 -10.022 2.480 1.00 0.00 O ATOM 360 CB LEU A 22 -3.453 -8.365 0.564 1.00 0.00 C ATOM 361 CG LEU A 22 -3.171 -7.783 -0.824 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.246 -6.251 -0.746 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.760 -8.181 -1.270 1.00 0.00 C ATOM 0 H LEU A 22 -5.603 -9.143 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.116 -10.416 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.227 -7.776 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.556 -8.289 1.179 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.904 -8.164 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.047 -5.826 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.241 -5.952 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.504 -5.886 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.560 -7.766 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.031 -7.793 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.684 -9.268 -1.310 1.00 0.00 H new ATOM 375 N ASN A 23 -3.170 -10.998 2.486 1.00 0.00 N ATOM 376 CA ASN A 23 -3.284 -11.488 3.875 1.00 0.00 C ATOM 377 C ASN A 23 -3.520 -10.311 4.840 1.00 0.00 C ATOM 378 O ASN A 23 -3.003 -9.210 4.621 1.00 0.00 O ATOM 379 CB ASN A 23 -2.014 -12.240 4.286 1.00 0.00 C ATOM 380 CG ASN A 23 -2.209 -12.882 5.657 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.793 -12.321 6.672 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.820 -14.031 5.750 1.00 0.00 N ATOM 0 H ASN A 23 -2.292 -11.235 2.024 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.133 -12.170 3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.779 -13.006 3.547 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.168 -11.554 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.953 -14.465 6.663 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.164 -14.495 4.909 1.00 0.00 H new ATOM 389 N ASN A 24 -4.332 -10.548 5.879 1.00 0.00 N ATOM 390 CA ASN A 24 -4.678 -9.501 6.857 1.00 0.00 C ATOM 391 C ASN A 24 -3.438 -8.768 7.387 1.00 0.00 C ATOM 392 O ASN A 24 -3.451 -7.540 7.516 1.00 0.00 O ATOM 393 CB ASN A 24 -5.441 -10.123 8.038 1.00 0.00 C ATOM 394 CG ASN A 24 -6.753 -10.745 7.559 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.991 -11.935 7.768 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.626 -10.007 6.929 1.00 0.00 N ATOM 0 H ASN A 24 -4.762 -11.454 6.066 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.303 -8.772 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.824 -10.884 8.517 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.646 -9.360 8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.504 -10.416 6.610 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.430 -9.021 6.755 1.00 0.00 H new ATOM 403 N GLN A 25 -2.379 -9.521 7.689 1.00 0.00 N ATOM 404 CA GLN A 25 -1.141 -8.924 8.201 1.00 0.00 C ATOM 405 C GLN A 25 -0.445 -8.081 7.129 1.00 0.00 C ATOM 406 O GLN A 25 0.081 -7.004 7.421 1.00 0.00 O ATOM 407 CB GLN A 25 -0.187 -10.026 8.689 1.00 0.00 C ATOM 408 CG GLN A 25 -0.787 -10.737 9.910 1.00 0.00 C ATOM 409 CD GLN A 25 0.188 -11.785 10.443 1.00 0.00 C ATOM 410 OE1 GLN A 25 1.163 -11.443 11.113 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.017 -13.047 10.185 1.00 0.00 N ATOM 0 H GLN A 25 -2.351 -10.536 7.590 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.404 -8.272 9.034 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.010 -10.745 7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.779 -9.593 8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.012 -10.009 10.690 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.729 -11.212 9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.825 -13.329 9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.631 -13.751 10.538 1.00 0.00 H new ATOM 420 N GLN A 26 -0.433 -8.592 5.896 1.00 0.00 N ATOM 421 CA GLN A 26 0.219 -7.904 4.777 1.00 0.00 C ATOM 422 C GLN A 26 -0.436 -6.555 4.468 1.00 0.00 C ATOM 423 O GLN A 26 0.262 -5.592 4.134 1.00 0.00 O ATOM 424 CB GLN A 26 0.194 -8.798 3.529 1.00 0.00 C ATOM 425 CG GLN A 26 1.083 -10.032 3.761 1.00 0.00 C ATOM 426 CD GLN A 26 1.019 -10.977 2.563 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.135 -11.265 2.025 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 2.049 -11.471 2.110 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.867 -9.480 5.646 1.00 0.00 H new ATOM 0 HA GLN A 26 1.250 -7.706 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.828 -9.109 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.548 -8.240 2.662 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.113 -9.718 3.928 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.760 -10.555 4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.951 -11.246 2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.002 -12.106 1.313 1.00 0.00 H new ATOM 437 N LYS A 27 -1.772 -6.485 4.571 1.00 0.00 N ATOM 438 CA LYS A 27 -2.489 -5.234 4.286 1.00 0.00 C ATOM 439 C LYS A 27 -2.011 -4.110 5.206 1.00 0.00 C ATOM 440 O LYS A 27 -1.494 -3.091 4.739 1.00 0.00 O ATOM 441 CB LYS A 27 -4.002 -5.426 4.474 1.00 0.00 C ATOM 442 CG LYS A 27 -4.566 -6.320 3.362 1.00 0.00 C ATOM 443 CD LYS A 27 -6.079 -6.499 3.560 1.00 0.00 C ATOM 444 CE LYS A 27 -6.831 -5.218 3.149 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.635 -5.476 1.916 1.00 0.00 N ATOM 0 H LYS A 27 -2.369 -7.266 4.845 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.281 -4.962 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.201 -5.875 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.503 -4.458 4.461 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.367 -5.874 2.387 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.070 -7.291 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.432 -7.342 2.966 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.290 -6.733 4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.484 -4.893 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.121 -4.411 2.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.903 -4.570 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.069 -6.030 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.493 -6.007 2.166 1.00 0.00 H new ATOM 459 N ARG A 28 -2.190 -4.311 6.512 1.00 0.00 N ATOM 460 CA ARG A 28 -1.777 -3.318 7.506 1.00 0.00 C ATOM 461 C ARG A 28 -0.263 -3.092 7.464 1.00 0.00 C ATOM 462 O ARG A 28 0.209 -1.983 7.724 1.00 0.00 O ATOM 463 CB ARG A 28 -2.190 -3.772 8.916 1.00 0.00 C ATOM 464 CG ARG A 28 -3.725 -3.818 9.029 1.00 0.00 C ATOM 465 CD ARG A 28 -4.138 -4.108 10.481 1.00 0.00 C ATOM 466 NE ARG A 28 -3.576 -5.384 10.937 1.00 0.00 N ATOM 467 CZ ARG A 28 -4.085 -6.562 10.561 1.00 0.00 C ATOM 468 NH1 ARG A 28 -5.116 -6.620 9.761 1.00 0.00 N ATOM 469 NH2 ARG A 28 -3.546 -7.664 10.999 1.00 0.00 N ATOM 0 H ARG A 28 -2.617 -5.149 6.906 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.275 -2.379 7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.773 -4.757 9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.783 -3.088 9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.150 -2.868 8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.123 -4.588 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.795 -3.302 11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.225 -4.137 10.556 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.770 -5.372 11.562 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.542 -5.760 9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.495 -7.525 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.741 -7.625 11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.929 -8.566 10.717 1.00 0.00 H new ATOM 483 N ALA A 29 0.488 -4.154 7.156 1.00 0.00 N ATOM 484 CA ALA A 29 1.951 -4.074 7.107 1.00 0.00 C ATOM 485 C ALA A 29 2.434 -3.024 6.104 1.00 0.00 C ATOM 486 O ALA A 29 3.296 -2.204 6.438 1.00 0.00 O ATOM 487 CB ALA A 29 2.536 -5.440 6.738 1.00 0.00 C ATOM 0 H ALA A 29 0.109 -5.075 6.938 1.00 0.00 H new ATOM 0 HA ALA A 29 2.295 -3.775 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.623 -5.373 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.241 -6.176 7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.160 -5.745 5.761 1.00 0.00 H new ATOM 493 N PHE A 30 1.895 -3.057 4.876 1.00 0.00 N ATOM 494 CA PHE A 30 2.315 -2.096 3.848 1.00 0.00 C ATOM 495 C PHE A 30 2.043 -0.653 4.279 1.00 0.00 C ATOM 496 O PHE A 30 2.974 0.143 4.386 1.00 0.00 O ATOM 497 CB PHE A 30 1.602 -2.371 2.515 1.00 0.00 C ATOM 498 CG PHE A 30 2.280 -3.520 1.793 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.626 -3.409 1.419 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.567 -4.689 1.497 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.259 -4.461 0.753 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.202 -5.742 0.828 1.00 0.00 C ATOM 503 CZ PHE A 30 3.549 -5.627 0.455 1.00 0.00 C ATOM 0 H PHE A 30 1.183 -3.723 4.576 1.00 0.00 H new ATOM 0 HA PHE A 30 3.389 -2.223 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.554 -2.612 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.621 -1.477 1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.175 -2.507 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.530 -4.778 1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.297 -4.373 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.654 -6.644 0.599 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.037 -6.439 -0.062 1.00 0.00 H new ATOM 513 N ILE A 31 0.765 -0.324 4.506 1.00 0.00 N ATOM 514 CA ILE A 31 0.371 1.035 4.904 1.00 0.00 C ATOM 515 C ILE A 31 1.151 1.527 6.137 1.00 0.00 C ATOM 516 O ILE A 31 1.605 2.675 6.154 1.00 0.00 O ATOM 517 CB ILE A 31 -1.155 1.096 5.145 1.00 0.00 C ATOM 518 CG1 ILE A 31 -1.882 0.903 3.787 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.535 2.455 5.764 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.412 0.984 3.944 1.00 0.00 C ATOM 0 H ILE A 31 -0.013 -0.978 4.421 1.00 0.00 H new ATOM 0 HA ILE A 31 0.624 1.709 4.086 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.454 0.307 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.547 1.665 3.083 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.610 -0.064 3.363 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.612 2.491 5.931 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.016 2.580 6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.246 3.257 5.085 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.885 0.844 2.972 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.749 0.205 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.686 1.960 4.344 1.00 0.00 H new ATOM 532 N ARG A 32 1.323 0.667 7.151 1.00 0.00 N ATOM 533 CA ARG A 32 2.074 1.065 8.352 1.00 0.00 C ATOM 534 C ARG A 32 3.516 1.422 7.980 1.00 0.00 C ATOM 535 O ARG A 32 4.032 2.472 8.388 1.00 0.00 O ATOM 536 CB ARG A 32 2.063 -0.065 9.394 1.00 0.00 C ATOM 537 CG ARG A 32 0.675 -0.159 10.047 1.00 0.00 C ATOM 538 CD ARG A 32 0.638 -1.338 11.029 1.00 0.00 C ATOM 539 NE ARG A 32 1.521 -1.074 12.169 1.00 0.00 N ATOM 540 CZ ARG A 32 1.624 -1.920 13.197 1.00 0.00 C ATOM 541 NH1 ARG A 32 0.931 -3.027 13.224 1.00 0.00 N ATOM 542 NH2 ARG A 32 2.424 -1.639 14.186 1.00 0.00 N ATOM 0 H ARG A 32 0.962 -0.287 7.167 1.00 0.00 H new ATOM 0 HA ARG A 32 1.593 1.942 8.785 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.316 -1.013 8.919 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.821 0.122 10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.446 0.769 10.571 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.089 -0.289 9.280 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.382 -1.498 11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.948 -2.252 10.523 1.00 0.00 H new ATOM 0 HE ARG A 32 2.074 -0.217 12.177 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.302 -3.254 12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.019 -3.665 14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.968 -0.776 14.173 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.506 -2.282 14.974 1.00 0.00 H new ATOM 556 N SER A 33 4.148 0.560 7.176 1.00 0.00 N ATOM 557 CA SER A 33 5.518 0.805 6.718 1.00 0.00 C ATOM 558 C SER A 33 5.550 2.063 5.850 1.00 0.00 C ATOM 559 O SER A 33 6.530 2.813 5.852 1.00 0.00 O ATOM 560 CB SER A 33 6.033 -0.396 5.917 1.00 0.00 C ATOM 561 OG SER A 33 5.947 -1.569 6.718 1.00 0.00 O ATOM 0 H SER A 33 3.736 -0.307 6.832 1.00 0.00 H new ATOM 0 HA SER A 33 6.163 0.948 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.446 -0.519 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.065 -0.227 5.610 1.00 0.00 H new ATOM 0 HG SER A 33 5.027 -1.907 6.706 1.00 0.00 H new ATOM 567 N LEU A 34 4.457 2.275 5.112 1.00 0.00 N ATOM 568 CA LEU A 34 4.319 3.432 4.230 1.00 0.00 C ATOM 569 C LEU A 34 4.405 4.718 5.050 1.00 0.00 C ATOM 570 O LEU A 34 5.092 5.668 4.663 1.00 0.00 O ATOM 571 CB LEU A 34 2.959 3.352 3.517 1.00 0.00 C ATOM 572 CG LEU A 34 3.021 3.998 2.122 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.049 3.262 1.184 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.627 5.484 2.214 1.00 0.00 C ATOM 0 H LEU A 34 3.649 1.653 5.110 1.00 0.00 H new ATOM 0 HA LEU A 34 5.120 3.434 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.655 2.309 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.200 3.853 4.119 1.00 0.00 H new ATOM 0 HG LEU A 34 4.036 3.925 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.087 3.714 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.334 2.212 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.036 3.337 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.673 5.935 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.613 5.568 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.316 6.002 2.881 1.00 0.00 H new ATOM 586 N TYR A 35 3.710 4.722 6.194 1.00 0.00 N ATOM 587 CA TYR A 35 3.712 5.877 7.093 1.00 0.00 C ATOM 588 C TYR A 35 5.133 6.137 7.591 1.00 0.00 C ATOM 589 O TYR A 35 5.567 7.289 7.681 1.00 0.00 O ATOM 590 CB TYR A 35 2.777 5.616 8.284 1.00 0.00 C ATOM 591 CG TYR A 35 2.668 6.867 9.136 1.00 0.00 C ATOM 592 CD1 TYR A 35 1.737 7.861 8.804 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.496 7.032 10.256 1.00 0.00 C ATOM 594 CE1 TYR A 35 1.636 9.016 9.591 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.392 8.187 11.040 1.00 0.00 C ATOM 596 CZ TYR A 35 2.463 9.179 10.708 1.00 0.00 C ATOM 597 OH TYR A 35 2.362 10.317 11.481 1.00 0.00 O ATOM 0 H TYR A 35 3.141 3.939 6.516 1.00 0.00 H new ATOM 0 HA TYR A 35 3.356 6.754 6.552 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.790 5.322 7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.158 4.789 8.883 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.098 7.737 7.942 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.214 6.268 10.514 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.919 9.782 9.335 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.030 8.313 11.902 1.00 0.00 H new ATOM 0 HH TYR A 35 3.007 10.270 12.218 1.00 0.00 H new ATOM 607 N ASP A 36 5.847 5.049 7.903 1.00 0.00 N ATOM 608 CA ASP A 36 7.226 5.147 8.384 1.00 0.00 C ATOM 609 C ASP A 36 8.127 5.795 7.328 1.00 0.00 C ATOM 610 O ASP A 36 9.029 6.566 7.667 1.00 0.00 O ATOM 611 CB ASP A 36 7.762 3.753 8.739 1.00 0.00 C ATOM 612 CG ASP A 36 9.128 3.873 9.417 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.155 4.083 10.620 1.00 0.00 O ATOM 614 OD2 ASP A 36 10.127 3.759 8.724 1.00 0.00 O ATOM 0 H ASP A 36 5.493 4.095 7.831 1.00 0.00 H new ATOM 0 HA ASP A 36 7.231 5.773 9.276 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.062 3.243 9.401 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.847 3.147 7.837 1.00 0.00 H new ATOM 619 N ASP A 37 7.874 5.475 6.047 1.00 0.00 N ATOM 620 CA ASP A 37 8.669 6.033 4.944 1.00 0.00 C ATOM 621 C ASP A 37 7.844 6.099 3.641 1.00 0.00 C ATOM 622 O ASP A 37 7.756 5.104 2.910 1.00 0.00 O ATOM 623 CB ASP A 37 9.938 5.175 4.720 1.00 0.00 C ATOM 624 CG ASP A 37 11.185 6.067 4.697 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.305 6.861 3.775 1.00 0.00 O ATOM 626 OD2 ASP A 37 11.999 5.946 5.601 1.00 0.00 O ATOM 0 H ASP A 37 7.132 4.839 5.754 1.00 0.00 H new ATOM 0 HA ASP A 37 8.960 7.048 5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.028 4.432 5.513 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.855 4.629 3.780 1.00 0.00 H new ATOM 631 N PRO A 38 7.248 7.241 3.314 1.00 0.00 N ATOM 632 CA PRO A 38 6.448 7.390 2.054 1.00 0.00 C ATOM 633 C PRO A 38 7.320 7.190 0.812 1.00 0.00 C ATOM 634 O PRO A 38 6.809 6.981 -0.288 1.00 0.00 O ATOM 635 CB PRO A 38 5.896 8.822 2.120 1.00 0.00 C ATOM 636 CG PRO A 38 6.785 9.544 3.073 1.00 0.00 C ATOM 637 CD PRO A 38 7.263 8.504 4.085 1.00 0.00 C ATOM 0 HA PRO A 38 5.657 6.643 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.908 9.293 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.862 8.829 2.465 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.629 9.996 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.248 10.352 3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.261 8.735 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.603 8.454 4.951 1.00 0.00 H new ATOM 645 N SER A 39 8.640 7.263 1.010 1.00 0.00 N ATOM 646 CA SER A 39 9.600 7.090 -0.078 1.00 0.00 C ATOM 647 C SER A 39 9.421 5.726 -0.750 1.00 0.00 C ATOM 648 O SER A 39 9.651 5.587 -1.955 1.00 0.00 O ATOM 649 CB SER A 39 11.031 7.203 0.465 1.00 0.00 C ATOM 650 OG SER A 39 11.131 8.341 1.316 1.00 0.00 O ATOM 0 H SER A 39 9.067 7.442 1.919 1.00 0.00 H new ATOM 0 HA SER A 39 9.423 7.872 -0.816 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.294 6.300 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.738 7.290 -0.360 1.00 0.00 H new ATOM 0 HG SER A 39 11.186 8.048 2.249 1.00 0.00 H new ATOM 656 N GLN A 40 9.019 4.724 0.044 1.00 0.00 N ATOM 657 CA GLN A 40 8.819 3.369 -0.461 1.00 0.00 C ATOM 658 C GLN A 40 7.391 3.173 -0.968 1.00 0.00 C ATOM 659 O GLN A 40 7.073 2.105 -1.478 1.00 0.00 O ATOM 660 CB GLN A 40 9.090 2.347 0.662 1.00 0.00 C ATOM 661 CG GLN A 40 10.480 2.565 1.273 1.00 0.00 C ATOM 662 CD GLN A 40 11.570 2.383 0.216 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.648 1.335 -0.426 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.424 3.345 -0.001 1.00 0.00 N ATOM 0 H GLN A 40 8.827 4.832 1.040 1.00 0.00 H new ATOM 0 HA GLN A 40 9.512 3.216 -1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.329 2.440 1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.017 1.335 0.264 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.543 3.567 1.698 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.638 1.861 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.360 4.213 0.530 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.156 3.229 -0.702 1.00 0.00 H new ATOM 673 N SER A 41 6.529 4.194 -0.819 1.00 0.00 N ATOM 674 CA SER A 41 5.121 4.090 -1.253 1.00 0.00 C ATOM 675 C SER A 41 5.003 3.501 -2.661 1.00 0.00 C ATOM 676 O SER A 41 4.114 2.687 -2.923 1.00 0.00 O ATOM 677 CB SER A 41 4.451 5.469 -1.212 1.00 0.00 C ATOM 678 OG SER A 41 3.063 5.337 -1.505 1.00 0.00 O ATOM 0 H SER A 41 6.777 5.093 -0.406 1.00 0.00 H new ATOM 0 HA SER A 41 4.615 3.416 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.584 5.919 -0.228 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.923 6.135 -1.934 1.00 0.00 H new ATOM 0 HG SER A 41 2.637 6.219 -1.477 1.00 0.00 H new ATOM 684 N ALA A 42 5.911 3.897 -3.551 1.00 0.00 N ATOM 685 CA ALA A 42 5.904 3.378 -4.915 1.00 0.00 C ATOM 686 C ALA A 42 6.207 1.879 -4.900 1.00 0.00 C ATOM 687 O ALA A 42 5.540 1.091 -5.579 1.00 0.00 O ATOM 688 CB ALA A 42 6.952 4.110 -5.761 1.00 0.00 C ATOM 0 H ALA A 42 6.653 4.568 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 42 4.919 3.541 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.939 3.716 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.723 5.175 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.940 3.960 -5.326 1.00 0.00 H new ATOM 694 N ASN A 43 7.221 1.502 -4.115 1.00 0.00 N ATOM 695 CA ASN A 43 7.630 0.100 -3.997 1.00 0.00 C ATOM 696 C ASN A 43 6.563 -0.731 -3.287 1.00 0.00 C ATOM 697 O ASN A 43 6.213 -1.810 -3.751 1.00 0.00 O ATOM 698 CB ASN A 43 8.940 -0.015 -3.203 1.00 0.00 C ATOM 699 CG ASN A 43 10.076 0.764 -3.867 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.010 1.102 -5.050 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.128 1.059 -3.161 1.00 0.00 N ATOM 0 H ASN A 43 7.773 2.149 -3.552 1.00 0.00 H new ATOM 0 HA ASN A 43 7.770 -0.280 -5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.786 0.359 -2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.221 -1.064 -3.116 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.901 1.571 -3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.180 0.778 -2.182 1.00 0.00 H new ATOM 708 N LEU A 44 6.070 -0.227 -2.148 1.00 0.00 N ATOM 709 CA LEU A 44 5.062 -0.945 -1.366 1.00 0.00 C ATOM 710 C LEU A 44 3.806 -1.202 -2.198 1.00 0.00 C ATOM 711 O LEU A 44 3.245 -2.298 -2.155 1.00 0.00 O ATOM 712 CB LEU A 44 4.672 -0.146 -0.117 1.00 0.00 C ATOM 713 CG LEU A 44 5.892 0.179 0.792 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.392 0.642 2.166 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.804 -1.047 0.976 1.00 0.00 C ATOM 0 H LEU A 44 6.352 0.669 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 44 5.500 -1.898 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.192 0.784 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.937 -0.711 0.456 1.00 0.00 H new ATOM 0 HG LEU A 44 6.471 0.966 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.245 0.871 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.778 1.535 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.798 -0.150 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.645 -0.782 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.237 -1.856 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.176 -1.373 0.005 1.00 0.00 H new ATOM 727 N LEU A 45 3.376 -0.187 -2.962 1.00 0.00 N ATOM 728 CA LEU A 45 2.190 -0.315 -3.822 1.00 0.00 C ATOM 729 C LEU A 45 2.407 -1.434 -4.841 1.00 0.00 C ATOM 730 O LEU A 45 1.559 -2.316 -5.009 1.00 0.00 O ATOM 731 CB LEU A 45 1.933 1.028 -4.532 1.00 0.00 C ATOM 732 CG LEU A 45 0.952 0.869 -5.719 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.414 0.365 -5.232 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.774 2.226 -6.417 1.00 0.00 C ATOM 0 H LEU A 45 3.828 0.726 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 45 1.319 -0.568 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.528 1.745 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.877 1.436 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 45 1.364 0.140 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.088 0.261 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.292 -0.602 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.833 1.079 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.084 2.117 -7.253 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.373 2.950 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.739 2.575 -6.786 1.00 0.00 H new ATOM 746 N ALA A 46 3.563 -1.388 -5.492 1.00 0.00 N ATOM 747 CA ALA A 46 3.924 -2.407 -6.482 1.00 0.00 C ATOM 748 C ALA A 46 4.030 -3.773 -5.801 1.00 0.00 C ATOM 749 O ALA A 46 3.540 -4.783 -6.316 1.00 0.00 O ATOM 750 CB ALA A 46 5.265 -2.053 -7.132 1.00 0.00 C ATOM 0 H ALA A 46 4.266 -0.662 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 46 3.152 -2.444 -7.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.526 -2.815 -7.866 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.185 -1.085 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.039 -2.007 -6.366 1.00 0.00 H new ATOM 756 N GLU A 47 4.665 -3.775 -4.629 1.00 0.00 N ATOM 757 CA GLU A 47 4.845 -4.988 -3.835 1.00 0.00 C ATOM 758 C GLU A 47 3.498 -5.581 -3.434 1.00 0.00 C ATOM 759 O GLU A 47 3.339 -6.803 -3.396 1.00 0.00 O ATOM 760 CB GLU A 47 5.653 -4.659 -2.573 1.00 0.00 C ATOM 761 CG GLU A 47 7.149 -4.526 -2.923 1.00 0.00 C ATOM 762 CD GLU A 47 7.749 -5.889 -3.279 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.602 -6.816 -2.496 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.367 -5.980 -4.321 1.00 0.00 O ATOM 0 H GLU A 47 5.067 -2.939 -4.206 1.00 0.00 H new ATOM 0 HA GLU A 47 5.380 -5.720 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.291 -3.731 -2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.514 -5.442 -1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.271 -3.840 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.688 -4.096 -2.078 1.00 0.00 H new ATOM 771 N ALA A 48 2.532 -4.709 -3.141 1.00 0.00 N ATOM 772 CA ALA A 48 1.198 -5.161 -2.757 1.00 0.00 C ATOM 773 C ALA A 48 0.554 -5.887 -3.931 1.00 0.00 C ATOM 774 O ALA A 48 -0.034 -6.959 -3.767 1.00 0.00 O ATOM 775 CB ALA A 48 0.334 -3.963 -2.349 1.00 0.00 C ATOM 0 H ALA A 48 2.648 -3.696 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 48 1.279 -5.841 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.659 -4.311 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.796 -3.452 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.250 -3.272 -3.188 1.00 0.00 H new ATOM 781 N LYS A 49 0.692 -5.292 -5.119 1.00 0.00 N ATOM 782 CA LYS A 49 0.139 -5.877 -6.337 1.00 0.00 C ATOM 783 C LYS A 49 0.788 -7.237 -6.599 1.00 0.00 C ATOM 784 O LYS A 49 0.136 -8.163 -7.087 1.00 0.00 O ATOM 785 CB LYS A 49 0.383 -4.943 -7.532 1.00 0.00 C ATOM 786 CG LYS A 49 -0.796 -5.034 -8.515 1.00 0.00 C ATOM 787 CD LYS A 49 -0.401 -4.413 -9.863 1.00 0.00 C ATOM 788 CE LYS A 49 -1.642 -3.830 -10.554 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.295 -3.448 -11.954 1.00 0.00 N ATOM 0 H LYS A 49 1.181 -4.408 -5.260 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.935 -6.010 -6.209 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.500 -3.916 -7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.310 -5.217 -8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.085 -6.076 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.663 -4.515 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.342 -3.630 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.060 -5.168 -10.500 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.449 -4.562 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.002 -2.959 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.134 -3.053 -12.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.537 -2.736 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.971 -4.289 -12.473 1.00 0.00 H new ATOM 803 N LYS A 50 2.081 -7.340 -6.261 1.00 0.00 N ATOM 804 CA LYS A 50 2.830 -8.581 -6.443 1.00 0.00 C ATOM 805 C LYS A 50 2.193 -9.703 -5.626 1.00 0.00 C ATOM 806 O LYS A 50 1.994 -10.813 -6.130 1.00 0.00 O ATOM 807 CB LYS A 50 4.278 -8.365 -5.994 1.00 0.00 C ATOM 808 CG LYS A 50 5.146 -9.566 -6.399 1.00 0.00 C ATOM 809 CD LYS A 50 6.626 -9.246 -6.138 1.00 0.00 C ATOM 810 CE LYS A 50 6.934 -9.324 -4.635 1.00 0.00 C ATOM 811 NZ LYS A 50 8.350 -8.918 -4.398 1.00 0.00 N ATOM 0 H LYS A 50 2.626 -6.576 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 50 2.813 -8.864 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.673 -7.454 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.314 -8.229 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.849 -10.449 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.994 -9.798 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.258 -9.948 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.861 -8.250 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.259 -8.672 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.769 -10.338 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.586 -9.051 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.981 -9.503 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.471 -7.917 -4.653 1.00 0.00 H new ATOM 825 N LEU A 51 1.857 -9.395 -4.366 1.00 0.00 N ATOM 826 CA LEU A 51 1.220 -10.378 -3.489 1.00 0.00 C ATOM 827 C LEU A 51 -0.163 -10.738 -4.025 1.00 0.00 C ATOM 828 O LEU A 51 -0.550 -11.908 -4.019 1.00 0.00 O ATOM 829 CB LEU A 51 1.125 -9.830 -2.053 1.00 0.00 C ATOM 830 CG LEU A 51 2.439 -10.127 -1.302 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.557 -9.213 -0.077 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.461 -11.597 -0.850 1.00 0.00 C ATOM 0 H LEU A 51 2.015 -8.483 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 51 1.828 -11.282 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.940 -8.756 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.284 -10.288 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 51 3.279 -9.943 -1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.487 -9.428 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.554 -8.171 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.714 -9.389 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.391 -11.801 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.617 -11.786 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.390 -12.247 -1.722 1.00 0.00 H new ATOM 844 N ASN A 52 -0.892 -9.726 -4.507 1.00 0.00 N ATOM 845 CA ASN A 52 -2.223 -9.946 -5.077 1.00 0.00 C ATOM 846 C ASN A 52 -2.137 -10.885 -6.282 1.00 0.00 C ATOM 847 O ASN A 52 -2.900 -11.849 -6.389 1.00 0.00 O ATOM 848 CB ASN A 52 -2.826 -8.593 -5.498 1.00 0.00 C ATOM 849 CG ASN A 52 -4.056 -8.782 -6.391 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.217 -9.001 -5.848 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.951 -8.725 -7.616 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.585 -8.753 -4.514 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.864 -10.410 -4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.103 -8.025 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.075 -8.008 -6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.040 -8.553 -8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.775 -8.850 -8.205 1.00 0.00 H new ATOM 858 N ASP A 53 -1.206 -10.587 -7.185 1.00 0.00 N ATOM 859 CA ASP A 53 -1.020 -11.394 -8.389 1.00 0.00 C ATOM 860 C ASP A 53 -0.606 -12.821 -8.044 1.00 0.00 C ATOM 861 O ASP A 53 -1.023 -13.772 -8.711 1.00 0.00 O ATOM 862 CB ASP A 53 0.053 -10.754 -9.278 1.00 0.00 C ATOM 863 CG ASP A 53 0.142 -11.483 -10.622 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.641 -11.163 -11.502 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.992 -12.351 -10.750 1.00 0.00 O ATOM 0 H ASP A 53 -0.569 -9.794 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.972 -11.432 -8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.183 -9.703 -9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.019 -10.789 -8.774 1.00 0.00 H new ATOM 870 N ALA A 54 0.243 -12.956 -7.025 1.00 0.00 N ATOM 871 CA ALA A 54 0.745 -14.267 -6.626 1.00 0.00 C ATOM 872 C ALA A 54 -0.309 -15.091 -5.873 1.00 0.00 C ATOM 873 O ALA A 54 -0.555 -16.251 -6.215 1.00 0.00 O ATOM 874 CB ALA A 54 1.988 -14.094 -5.745 1.00 0.00 C ATOM 0 H ALA A 54 0.594 -12.179 -6.466 1.00 0.00 H new ATOM 0 HA ALA A 54 0.998 -14.812 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.362 -15.074 -5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.760 -13.565 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.727 -13.520 -4.856 1.00 0.00 H new ATOM 880 N GLN A 55 -0.908 -14.489 -4.840 1.00 0.00 N ATOM 881 CA GLN A 55 -1.919 -15.175 -4.020 1.00 0.00 C ATOM 882 C GLN A 55 -3.191 -15.476 -4.816 1.00 0.00 C ATOM 883 O GLN A 55 -3.917 -16.418 -4.486 1.00 0.00 O ATOM 884 CB GLN A 55 -2.277 -14.327 -2.786 1.00 0.00 C ATOM 885 CG GLN A 55 -1.055 -14.182 -1.870 1.00 0.00 C ATOM 886 CD GLN A 55 -1.296 -13.040 -0.890 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.622 -11.867 -1.358 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -1.189 -13.218 0.323 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.713 -13.531 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.484 -16.122 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.624 -13.343 -3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.097 -14.794 -2.240 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.880 -15.111 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.162 -13.986 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.934 -14.138 0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.356 -12.446 0.968 1.00 0.00 H new ATOM 897 N ALA A 56 -3.472 -14.658 -5.841 1.00 0.00 N ATOM 898 CA ALA A 56 -4.682 -14.832 -6.658 1.00 0.00 C ATOM 899 C ALA A 56 -4.785 -16.255 -7.234 1.00 0.00 C ATOM 900 O ALA A 56 -3.778 -16.859 -7.611 1.00 0.00 O ATOM 901 CB ALA A 56 -4.692 -13.820 -7.807 1.00 0.00 C ATOM 0 H ALA A 56 -2.882 -13.875 -6.123 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.540 -14.665 -6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.592 -13.958 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.677 -12.809 -7.401 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.813 -13.972 -8.434 1.00 0.00 H new ATOM 907 N PRO A 57 -5.984 -16.798 -7.310 1.00 0.00 N ATOM 908 CA PRO A 57 -6.208 -18.174 -7.847 1.00 0.00 C ATOM 909 C PRO A 57 -5.780 -18.295 -9.307 1.00 0.00 C ATOM 910 O PRO A 57 -5.516 -17.289 -9.971 1.00 0.00 O ATOM 911 CB PRO A 57 -7.718 -18.407 -7.686 1.00 0.00 C ATOM 912 CG PRO A 57 -8.324 -17.051 -7.527 1.00 0.00 C ATOM 913 CD PRO A 57 -7.252 -16.162 -6.908 1.00 0.00 C ATOM 0 HA PRO A 57 -5.613 -18.917 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.129 -18.920 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.927 -19.033 -6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.646 -16.656 -8.490 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.207 -17.094 -6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.320 -15.139 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.349 -16.116 -5.823 1.00 0.00 H new ATOM 921 N LYS A 58 -5.742 -19.546 -9.789 1.00 0.00 N ATOM 922 CA LYS A 58 -5.373 -19.873 -11.170 1.00 0.00 C ATOM 923 C LYS A 58 -3.882 -19.616 -11.434 1.00 0.00 C ATOM 924 O LYS A 58 -3.197 -20.555 -11.811 1.00 0.00 O ATOM 925 CB LYS A 58 -6.235 -19.078 -12.167 1.00 0.00 C ATOM 926 CG LYS A 58 -6.183 -19.764 -13.534 1.00 0.00 C ATOM 927 CD LYS A 58 -7.119 -19.048 -14.526 1.00 0.00 C ATOM 928 CE LYS A 58 -6.541 -17.680 -14.924 1.00 0.00 C ATOM 929 NZ LYS A 58 -5.225 -17.865 -15.603 1.00 0.00 N ATOM 930 OXT LYS A 58 -3.445 -18.490 -11.263 1.00 0.00 O ATOM 0 H LYS A 58 -5.969 -20.365 -9.225 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.560 -20.937 -11.313 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.264 -19.023 -11.813 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.870 -18.054 -12.246 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.162 -19.754 -13.915 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.477 -20.809 -13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.255 -19.664 -15.415 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.103 -18.916 -14.076 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.233 -17.162 -15.588 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.419 -17.055 -14.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.031 -17.045 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.474 -17.950 -14.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.251 -18.729 -16.182 1.00 0.00 H new