USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 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= -3.26! C(o=-5.8!,f=-3!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.246 F(o=-5.7!,f=-3) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0.885 USER MOD Set 2.2: A 40 GLN : amide:sc= 1.13 K(o=2.2,f=0.68) USER MOD Set 2.3: A 43 ASN : amide:sc= 0.151 K(o=2.2,f=0.82) USER MOD Set 3.1: A 21 ASN : amide:sc= 0.335 K(o=0.37,f=-0.74) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= 0.0334 F(o=-4.4!,f=0.37) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.13) USER MOD Single : A 9 MET CE :methyl -162:sc= -0.128 (180deg=-0.919) USER MOD Single : A 11 ASN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.512 K(o=0.51,f=-4.1!) USER MOD Single : A 24 ASN : amide:sc=-0.00988 X(o=-0.0099,f=-0.0099) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 1.54 (180deg=0.996) USER MOD Single : A 33 SER OG : rot -22:sc= 1.12 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 103:sc= 0.804 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 133:sc= 0.761 (180deg=0.224) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.500 13.420 -0.707 1.00 0.00 N ATOM 100 CA LYS A 7 -1.361 13.088 -1.851 1.00 0.00 C ATOM 101 C LYS A 7 -1.100 11.660 -2.340 1.00 0.00 C ATOM 102 O LYS A 7 -2.033 10.851 -2.463 1.00 0.00 O ATOM 103 CB LYS A 7 -1.104 14.087 -2.992 1.00 0.00 C ATOM 104 CG LYS A 7 -2.124 13.888 -4.130 1.00 0.00 C ATOM 105 CD LYS A 7 -3.485 14.488 -3.733 1.00 0.00 C ATOM 106 CE LYS A 7 -4.451 14.432 -4.924 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.074 15.473 -5.923 1.00 0.00 N ATOM 0 HA LYS A 7 -2.401 13.152 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.170 15.106 -2.611 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.093 13.955 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.761 14.363 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.236 12.826 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.902 13.938 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.356 15.520 -3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.420 13.444 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.474 14.594 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.850 15.598 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.894 16.373 -5.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.215 15.175 -6.428 1.00 0.00 H new ATOM 121 N GLU A 8 0.171 11.356 -2.610 1.00 0.00 N ATOM 122 CA GLU A 8 0.561 10.028 -3.085 1.00 0.00 C ATOM 123 C GLU A 8 0.205 8.962 -2.049 1.00 0.00 C ATOM 124 O GLU A 8 -0.145 7.832 -2.406 1.00 0.00 O ATOM 125 CB GLU A 8 2.071 9.988 -3.375 1.00 0.00 C ATOM 126 CG GLU A 8 2.399 10.838 -4.623 1.00 0.00 C ATOM 127 CD GLU A 8 2.345 12.350 -4.330 1.00 0.00 C ATOM 128 OE1 GLU A 8 2.612 12.747 -3.204 1.00 0.00 O ATOM 129 OE2 GLU A 8 2.038 13.094 -5.249 1.00 0.00 O ATOM 0 H GLU A 8 0.946 12.011 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 8 0.016 9.820 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.624 10.365 -2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.391 8.958 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.392 10.576 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.694 10.599 -5.419 1.00 0.00 H new ATOM 136 N MET A 9 0.301 9.332 -0.770 1.00 0.00 N ATOM 137 CA MET A 9 -0.010 8.408 0.319 1.00 0.00 C ATOM 138 C MET A 9 -1.481 7.995 0.264 1.00 0.00 C ATOM 139 O MET A 9 -1.803 6.819 0.436 1.00 0.00 O ATOM 140 CB MET A 9 0.296 9.069 1.670 1.00 0.00 C ATOM 141 CG MET A 9 1.794 9.382 1.761 1.00 0.00 C ATOM 142 SD MET A 9 2.165 10.138 3.361 1.00 0.00 S ATOM 143 CE MET A 9 3.876 10.594 2.989 1.00 0.00 C ATOM 0 H MET A 9 0.591 10.261 -0.465 1.00 0.00 H new ATOM 0 HA MET A 9 0.608 7.517 0.208 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.285 9.985 1.778 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.002 8.408 2.485 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.374 8.468 1.637 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.084 10.055 0.954 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.411 10.787 3.919 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.362 9.779 2.453 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.887 11.492 2.371 1.00 0.00 H new ATOM 153 N ARG A 10 -2.365 8.969 0.013 1.00 0.00 N ATOM 154 CA ARG A 10 -3.801 8.689 -0.074 1.00 0.00 C ATOM 155 C ARG A 10 -4.090 7.738 -1.234 1.00 0.00 C ATOM 156 O ARG A 10 -4.940 6.848 -1.120 1.00 0.00 O ATOM 157 CB ARG A 10 -4.591 9.994 -0.261 1.00 0.00 C ATOM 158 CG ARG A 10 -4.533 10.832 1.026 1.00 0.00 C ATOM 159 CD ARG A 10 -5.298 12.148 0.828 1.00 0.00 C ATOM 160 NE ARG A 10 -6.734 11.885 0.698 1.00 0.00 N ATOM 161 CZ ARG A 10 -7.623 12.869 0.532 1.00 0.00 C ATOM 162 NH1 ARG A 10 -7.236 14.115 0.478 1.00 0.00 N ATOM 163 NH2 ARG A 10 -8.888 12.581 0.424 1.00 0.00 N ATOM 0 H ARG A 10 -2.114 9.947 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.114 8.216 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.178 10.563 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.628 9.769 -0.512 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.965 10.271 1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.496 11.040 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.118 12.812 1.673 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.932 12.659 -0.063 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.065 10.921 0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.246 14.346 0.563 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.924 14.858 0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.195 11.609 0.466 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.572 13.327 0.297 1.00 0.00 H new ATOM 177 N ASN A 11 -3.379 7.931 -2.350 1.00 0.00 N ATOM 178 CA ASN A 11 -3.574 7.080 -3.527 1.00 0.00 C ATOM 179 C ASN A 11 -3.202 5.624 -3.224 1.00 0.00 C ATOM 180 O ASN A 11 -4.004 4.715 -3.461 1.00 0.00 O ATOM 181 CB ASN A 11 -2.733 7.600 -4.700 1.00 0.00 C ATOM 182 CG ASN A 11 -3.345 8.885 -5.255 1.00 0.00 C ATOM 183 OD1 ASN A 11 -4.391 8.846 -5.903 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.759 10.029 -5.035 1.00 0.00 N ATOM 0 H ASN A 11 -2.673 8.659 -2.462 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.630 7.114 -3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.711 7.787 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.681 6.844 -5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.167 10.890 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.892 10.063 -4.498 1.00 0.00 H new ATOM 191 N ALA A 12 -1.988 5.408 -2.699 1.00 0.00 N ATOM 192 CA ALA A 12 -1.529 4.052 -2.374 1.00 0.00 C ATOM 193 C ALA A 12 -2.330 3.465 -1.206 1.00 0.00 C ATOM 194 O ALA A 12 -2.571 2.260 -1.162 1.00 0.00 O ATOM 195 CB ALA A 12 -0.029 4.054 -2.040 1.00 0.00 C ATOM 0 H ALA A 12 -1.314 6.145 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.692 3.425 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.292 3.040 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.534 4.421 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.152 4.703 -1.183 1.00 0.00 H new ATOM 201 N TYR A 13 -2.743 4.326 -0.266 1.00 0.00 N ATOM 202 CA TYR A 13 -3.523 3.891 0.906 1.00 0.00 C ATOM 203 C TYR A 13 -4.795 3.149 0.475 1.00 0.00 C ATOM 204 O TYR A 13 -5.030 2.003 0.875 1.00 0.00 O ATOM 205 CB TYR A 13 -3.900 5.133 1.742 1.00 0.00 C ATOM 206 CG TYR A 13 -4.758 4.752 2.940 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.144 4.600 2.790 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.168 4.559 4.195 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.936 4.254 3.893 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.961 4.215 5.298 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.344 4.062 5.146 1.00 0.00 C ATOM 212 OH TYR A 13 -7.124 3.722 6.232 1.00 0.00 O ATOM 0 H TYR A 13 -2.551 5.327 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.918 3.206 1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.994 5.632 2.085 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.439 5.845 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.602 4.750 1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.101 4.675 4.313 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.003 4.136 3.776 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.505 4.068 6.266 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.556 3.625 7.025 1.00 0.00 H new ATOM 222 N TRP A 14 -5.602 3.823 -0.342 1.00 0.00 N ATOM 223 CA TRP A 14 -6.855 3.254 -0.835 1.00 0.00 C ATOM 224 C TRP A 14 -6.606 2.116 -1.833 1.00 0.00 C ATOM 225 O TRP A 14 -7.284 1.087 -1.782 1.00 0.00 O ATOM 226 CB TRP A 14 -7.675 4.362 -1.503 1.00 0.00 C ATOM 227 CG TRP A 14 -9.048 3.858 -1.845 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.433 3.407 -3.062 1.00 0.00 C ATOM 229 CD2 TRP A 14 -10.218 3.755 -0.982 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.763 3.030 -2.999 1.00 0.00 N ATOM 231 CE2 TRP A 14 -11.291 3.226 -1.738 1.00 0.00 C ATOM 232 CE3 TRP A 14 -10.450 4.063 0.372 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -12.549 3.012 -1.173 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -11.714 3.849 0.944 1.00 0.00 C ATOM 235 CH2 TRP A 14 -12.762 3.324 0.173 1.00 0.00 C ATOM 0 H TRP A 14 -5.410 4.767 -0.678 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.401 2.836 0.010 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.751 5.221 -0.836 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.170 4.704 -2.406 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.805 3.351 -3.939 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.289 2.653 -3.788 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.650 4.467 0.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -13.352 2.608 -1.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -11.881 4.090 1.984 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -13.732 3.161 0.619 1.00 0.00 H new ATOM 246 N GLU A 15 -5.651 2.323 -2.751 1.00 0.00 N ATOM 247 CA GLU A 15 -5.342 1.321 -3.779 1.00 0.00 C ATOM 248 C GLU A 15 -4.931 -0.015 -3.154 1.00 0.00 C ATOM 249 O GLU A 15 -5.434 -1.068 -3.552 1.00 0.00 O ATOM 250 CB GLU A 15 -4.216 1.838 -4.688 1.00 0.00 C ATOM 251 CG GLU A 15 -4.001 0.876 -5.875 1.00 0.00 C ATOM 252 CD GLU A 15 -5.223 0.844 -6.810 1.00 0.00 C ATOM 253 OE1 GLU A 15 -5.867 1.872 -6.976 1.00 0.00 O ATOM 254 OE2 GLU A 15 -5.495 -0.215 -7.355 1.00 0.00 O ATOM 0 H GLU A 15 -5.083 3.169 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.244 1.154 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.466 2.832 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.293 1.933 -4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.120 1.184 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.804 -0.128 -5.499 1.00 0.00 H new ATOM 261 N ILE A 16 -4.020 0.033 -2.179 1.00 0.00 N ATOM 262 CA ILE A 16 -3.558 -1.187 -1.507 1.00 0.00 C ATOM 263 C ILE A 16 -4.716 -1.855 -0.761 1.00 0.00 C ATOM 264 O ILE A 16 -4.943 -3.061 -0.905 1.00 0.00 O ATOM 265 CB ILE A 16 -2.410 -0.856 -0.528 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.183 -0.361 -1.320 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.023 -2.107 0.285 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.161 0.271 -0.367 1.00 0.00 C ATOM 0 H ILE A 16 -3.590 0.893 -1.839 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.185 -1.880 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.745 -0.077 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.726 -1.193 -1.856 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.493 0.368 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.213 -1.859 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.886 -2.453 0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.696 -2.895 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.702 0.617 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.618 1.115 0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.161 -0.470 0.365 1.00 0.00 H new ATOM 280 N ALA A 17 -5.438 -1.059 0.033 1.00 0.00 N ATOM 281 CA ALA A 17 -6.568 -1.570 0.813 1.00 0.00 C ATOM 282 C ALA A 17 -7.629 -2.211 -0.088 1.00 0.00 C ATOM 283 O ALA A 17 -8.333 -3.132 0.336 1.00 0.00 O ATOM 284 CB ALA A 17 -7.199 -0.427 1.616 1.00 0.00 C ATOM 0 H ALA A 17 -5.261 -0.062 0.152 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.191 -2.337 1.489 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.039 -0.810 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.456 -0.003 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.551 0.346 0.933 1.00 0.00 H new ATOM 290 N LEU A 18 -7.745 -1.705 -1.321 1.00 0.00 N ATOM 291 CA LEU A 18 -8.733 -2.213 -2.280 1.00 0.00 C ATOM 292 C LEU A 18 -8.513 -3.700 -2.594 1.00 0.00 C ATOM 293 O LEU A 18 -9.483 -4.437 -2.793 1.00 0.00 O ATOM 294 CB LEU A 18 -8.669 -1.392 -3.580 1.00 0.00 C ATOM 295 CG LEU A 18 -9.820 -1.785 -4.531 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.167 -1.328 -3.949 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.603 -1.115 -5.896 1.00 0.00 C ATOM 0 H LEU A 18 -7.167 -0.944 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.718 -2.111 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.730 -0.329 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.711 -1.557 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.831 -2.869 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.971 -1.610 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.325 -1.804 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.161 -0.245 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.414 -1.391 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.587 -0.032 -5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.654 -1.446 -6.317 1.00 0.00 H new ATOM 309 N LEU A 19 -7.243 -4.136 -2.650 1.00 0.00 N ATOM 310 CA LEU A 19 -6.940 -5.541 -2.959 1.00 0.00 C ATOM 311 C LEU A 19 -7.493 -6.461 -1.852 1.00 0.00 C ATOM 312 O LEU A 19 -7.130 -6.311 -0.682 1.00 0.00 O ATOM 313 CB LEU A 19 -5.414 -5.723 -3.105 1.00 0.00 C ATOM 314 CG LEU A 19 -4.961 -5.568 -4.582 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.711 -4.427 -5.292 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.454 -5.269 -4.625 1.00 0.00 C ATOM 0 H LEU A 19 -6.425 -3.548 -2.489 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.418 -5.813 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.898 -4.989 -2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.127 -6.708 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.186 -6.502 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.366 -4.351 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.781 -4.634 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.518 -3.487 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.134 -5.160 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.251 -4.345 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.907 -6.090 -4.161 1.00 0.00 H new ATOM 328 N PRO A 20 -8.383 -7.386 -2.195 1.00 0.00 N ATOM 329 CA PRO A 20 -9.027 -8.325 -1.214 1.00 0.00 C ATOM 330 C PRO A 20 -8.261 -9.631 -0.940 1.00 0.00 C ATOM 331 O PRO A 20 -8.552 -10.308 0.051 1.00 0.00 O ATOM 332 CB PRO A 20 -10.356 -8.633 -1.903 1.00 0.00 C ATOM 333 CG PRO A 20 -10.028 -8.645 -3.361 1.00 0.00 C ATOM 334 CD PRO A 20 -8.892 -7.640 -3.563 1.00 0.00 C ATOM 0 HA PRO A 20 -9.088 -7.870 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.758 -9.593 -1.579 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.107 -7.878 -1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.725 -9.642 -3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.899 -8.370 -3.956 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.113 -8.044 -4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.250 -6.723 -4.031 1.00 0.00 H new ATOM 342 N ASN A 21 -7.326 -10.010 -1.822 1.00 0.00 N ATOM 343 CA ASN A 21 -6.587 -11.274 -1.652 1.00 0.00 C ATOM 344 C ASN A 21 -5.336 -11.115 -0.788 1.00 0.00 C ATOM 345 O ASN A 21 -4.682 -12.113 -0.467 1.00 0.00 O ATOM 346 CB ASN A 21 -6.208 -11.869 -3.023 1.00 0.00 C ATOM 347 CG ASN A 21 -5.933 -10.768 -4.044 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.255 -9.785 -3.740 1.00 0.00 O ATOM 349 ND2 ASN A 21 -6.431 -10.871 -5.241 1.00 0.00 N ATOM 0 H ASN A 21 -7.065 -9.472 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.256 -11.958 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.325 -12.500 -2.917 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.015 -12.508 -3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.260 -10.138 -5.929 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.992 -11.685 -5.492 1.00 0.00 H new ATOM 356 N LEU A 22 -5.007 -9.881 -0.393 1.00 0.00 N ATOM 357 CA LEU A 22 -3.828 -9.669 0.453 1.00 0.00 C ATOM 358 C LEU A 22 -4.121 -10.133 1.869 1.00 0.00 C ATOM 359 O LEU A 22 -5.154 -9.778 2.444 1.00 0.00 O ATOM 360 CB LEU A 22 -3.411 -8.192 0.519 1.00 0.00 C ATOM 361 CG LEU A 22 -3.156 -7.623 -0.879 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.195 -6.090 -0.811 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.775 -8.060 -1.378 1.00 0.00 C ATOM 0 H LEU A 22 -5.523 -9.036 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.015 -10.242 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.192 -7.613 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.510 -8.093 1.124 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.922 -7.992 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.014 -5.677 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.173 -5.766 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.425 -5.737 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.602 -7.651 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.009 -7.692 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.731 -9.148 -1.420 1.00 0.00 H new ATOM 375 N ASN A 23 -3.195 -10.914 2.428 1.00 0.00 N ATOM 376 CA ASN A 23 -3.351 -11.412 3.805 1.00 0.00 C ATOM 377 C ASN A 23 -3.573 -10.235 4.767 1.00 0.00 C ATOM 378 O ASN A 23 -3.123 -9.116 4.498 1.00 0.00 O ATOM 379 CB ASN A 23 -2.109 -12.202 4.238 1.00 0.00 C ATOM 380 CG ASN A 23 -2.346 -12.839 5.608 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.997 -12.255 6.635 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.921 -14.007 5.686 1.00 0.00 N ATOM 0 H ASN A 23 -2.340 -11.215 1.961 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.217 -12.074 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.885 -12.974 3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.244 -11.541 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.082 -14.437 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.210 -14.491 4.836 1.00 0.00 H new ATOM 389 N ASN A 24 -4.287 -10.492 5.869 1.00 0.00 N ATOM 390 CA ASN A 24 -4.596 -9.447 6.859 1.00 0.00 C ATOM 391 C ASN A 24 -3.328 -8.743 7.358 1.00 0.00 C ATOM 392 O ASN A 24 -3.324 -7.522 7.546 1.00 0.00 O ATOM 393 CB ASN A 24 -5.339 -10.065 8.055 1.00 0.00 C ATOM 394 CG ASN A 24 -6.677 -10.654 7.607 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.933 -11.841 7.809 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.551 -9.890 7.013 1.00 0.00 N ATOM 0 H ASN A 24 -4.662 -11.412 6.100 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.226 -8.704 6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.726 -10.844 8.509 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.507 -9.305 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.447 -10.276 6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.339 -8.906 6.846 1.00 0.00 H new ATOM 403 N GLN A 25 -2.263 -9.519 7.571 1.00 0.00 N ATOM 404 CA GLN A 25 -0.995 -8.961 8.048 1.00 0.00 C ATOM 405 C GLN A 25 -0.304 -8.147 6.950 1.00 0.00 C ATOM 406 O GLN A 25 0.193 -7.048 7.200 1.00 0.00 O ATOM 407 CB GLN A 25 -0.061 -10.094 8.502 1.00 0.00 C ATOM 408 CG GLN A 25 -0.665 -10.816 9.715 1.00 0.00 C ATOM 409 CD GLN A 25 0.291 -11.897 10.212 1.00 0.00 C ATOM 410 OE1 GLN A 25 1.407 -11.593 10.633 1.00 0.00 O ATOM 411 NE2 GLN A 25 -0.079 -13.148 10.189 1.00 0.00 N ATOM 0 H GLN A 25 -2.252 -10.528 7.422 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.213 -8.301 8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.091 -10.801 7.686 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.918 -9.689 8.759 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.863 -10.100 10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.621 -11.263 9.443 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.004 -13.400 9.840 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.557 -13.874 10.520 1.00 0.00 H new ATOM 420 N GLN A 26 -0.264 -8.710 5.744 1.00 0.00 N ATOM 421 CA GLN A 26 0.389 -8.057 4.607 1.00 0.00 C ATOM 422 C GLN A 26 -0.262 -6.714 4.263 1.00 0.00 C ATOM 423 O GLN A 26 0.440 -5.728 4.017 1.00 0.00 O ATOM 424 CB GLN A 26 0.328 -8.980 3.382 1.00 0.00 C ATOM 425 CG GLN A 26 1.152 -10.254 3.643 1.00 0.00 C ATOM 426 CD GLN A 26 1.000 -11.237 2.483 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.184 -11.474 1.983 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 1.986 -11.810 2.025 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.676 -9.618 5.527 1.00 0.00 H new ATOM 0 HA GLN A 26 1.424 -7.863 4.887 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.707 -9.244 3.166 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.714 -8.460 2.505 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.203 -9.994 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.823 -10.723 4.570 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.910 -11.625 2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.880 -12.470 1.255 1.00 0.00 H new ATOM 437 N LYS A 27 -1.599 -6.688 4.227 1.00 0.00 N ATOM 438 CA LYS A 27 -2.330 -5.462 3.884 1.00 0.00 C ATOM 439 C LYS A 27 -2.013 -4.338 4.870 1.00 0.00 C ATOM 440 O LYS A 27 -1.639 -3.234 4.465 1.00 0.00 O ATOM 441 CB LYS A 27 -3.842 -5.741 3.879 1.00 0.00 C ATOM 442 CG LYS A 27 -4.602 -4.514 3.348 1.00 0.00 C ATOM 443 CD LYS A 27 -6.119 -4.746 3.452 1.00 0.00 C ATOM 444 CE LYS A 27 -6.557 -5.839 2.464 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.873 -5.474 1.861 1.00 0.00 N ATOM 0 H LYS A 27 -2.192 -7.493 4.429 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.015 -5.143 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.058 -6.610 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.179 -5.979 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.322 -3.628 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.325 -4.326 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.381 -5.038 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.652 -3.819 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.808 -5.957 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.635 -6.797 2.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.994 -5.979 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.639 -5.740 2.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.904 -4.449 1.690 1.00 0.00 H new ATOM 459 N ARG A 28 -2.162 -4.635 6.160 1.00 0.00 N ATOM 460 CA ARG A 28 -1.892 -3.655 7.212 1.00 0.00 C ATOM 461 C ARG A 28 -0.405 -3.291 7.264 1.00 0.00 C ATOM 462 O ARG A 28 -0.047 -2.157 7.591 1.00 0.00 O ATOM 463 CB ARG A 28 -2.334 -4.218 8.570 1.00 0.00 C ATOM 464 CG ARG A 28 -3.866 -4.363 8.602 1.00 0.00 C ATOM 465 CD ARG A 28 -4.317 -4.911 9.963 1.00 0.00 C ATOM 466 NE ARG A 28 -3.806 -6.272 10.158 1.00 0.00 N ATOM 467 CZ ARG A 28 -3.921 -6.913 11.325 1.00 0.00 C ATOM 468 NH1 ARG A 28 -4.498 -6.341 12.347 1.00 0.00 N ATOM 469 NH2 ARG A 28 -3.454 -8.123 11.444 1.00 0.00 N ATOM 0 H ARG A 28 -2.468 -5.546 6.502 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.456 -2.750 6.986 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.864 -5.186 8.742 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.005 -3.557 9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.334 -3.396 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.192 -5.032 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.957 -4.262 10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.406 -4.912 10.020 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.348 -6.744 9.378 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.867 -5.394 12.260 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.580 -6.841 13.232 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.003 -8.576 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.539 -8.617 12.332 1.00 0.00 H new ATOM 483 N ALA A 29 0.453 -4.271 6.963 1.00 0.00 N ATOM 484 CA ALA A 29 1.901 -4.064 7.003 1.00 0.00 C ATOM 485 C ALA A 29 2.358 -2.983 6.018 1.00 0.00 C ATOM 486 O ALA A 29 3.187 -2.140 6.375 1.00 0.00 O ATOM 487 CB ALA A 29 2.624 -5.381 6.696 1.00 0.00 C ATOM 0 H ALA A 29 0.169 -5.212 6.690 1.00 0.00 H new ATOM 0 HA ALA A 29 2.155 -3.724 8.007 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.702 -5.220 6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.347 -6.130 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.338 -5.730 5.704 1.00 0.00 H new ATOM 493 N PHE A 30 1.843 -3.014 4.779 1.00 0.00 N ATOM 494 CA PHE A 30 2.252 -2.024 3.773 1.00 0.00 C ATOM 495 C PHE A 30 1.904 -0.600 4.204 1.00 0.00 C ATOM 496 O PHE A 30 2.798 0.231 4.359 1.00 0.00 O ATOM 497 CB PHE A 30 1.601 -2.322 2.413 1.00 0.00 C ATOM 498 CG PHE A 30 2.309 -3.488 1.752 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.661 -3.368 1.405 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.622 -4.678 1.479 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.326 -4.430 0.789 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.290 -5.743 0.862 1.00 0.00 C ATOM 503 CZ PHE A 30 3.644 -5.618 0.517 1.00 0.00 C ATOM 0 H PHE A 30 1.158 -3.697 4.455 1.00 0.00 H new ATOM 0 HA PHE A 30 3.335 -2.099 3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.545 -2.555 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.654 -1.441 1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.191 -2.451 1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.579 -4.774 1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.368 -4.333 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.762 -6.661 0.652 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.159 -6.440 0.041 1.00 0.00 H new ATOM 513 N ILE A 31 0.609 -0.321 4.381 1.00 0.00 N ATOM 514 CA ILE A 31 0.157 1.018 4.777 1.00 0.00 C ATOM 515 C ILE A 31 0.828 1.477 6.083 1.00 0.00 C ATOM 516 O ILE A 31 1.237 2.637 6.190 1.00 0.00 O ATOM 517 CB ILE A 31 -1.386 1.046 4.897 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.002 0.795 3.494 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.851 2.412 5.439 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.538 0.872 3.536 1.00 0.00 C ATOM 0 H ILE A 31 -0.142 -1.000 4.257 1.00 0.00 H new ATOM 0 HA ILE A 31 0.456 1.722 4.001 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.714 0.270 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.618 1.532 2.789 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.695 -0.185 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.938 2.421 5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.413 2.581 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.531 3.201 4.759 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.939 0.692 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.921 0.117 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.844 1.861 3.877 1.00 0.00 H new ATOM 532 N ARG A 32 0.950 0.572 7.063 1.00 0.00 N ATOM 533 CA ARG A 32 1.587 0.922 8.340 1.00 0.00 C ATOM 534 C ARG A 32 3.055 1.306 8.115 1.00 0.00 C ATOM 535 O ARG A 32 3.511 2.372 8.557 1.00 0.00 O ATOM 536 CB ARG A 32 1.498 -0.264 9.315 1.00 0.00 C ATOM 537 CG ARG A 32 2.053 0.142 10.692 1.00 0.00 C ATOM 538 CD ARG A 32 1.888 -1.015 11.685 1.00 0.00 C ATOM 539 NE ARG A 32 2.778 -2.122 11.327 1.00 0.00 N ATOM 540 CZ ARG A 32 2.873 -3.227 12.072 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.161 -3.361 13.160 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.683 -4.180 11.711 1.00 0.00 N ATOM 0 H ARG A 32 0.622 -0.392 6.999 1.00 0.00 H new ATOM 0 HA ARG A 32 1.063 1.776 8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.462 -0.588 9.413 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.061 -1.111 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.106 0.410 10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.529 1.025 11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.112 -0.671 12.695 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.853 -1.357 11.687 1.00 0.00 H new ATOM 0 HE ARG A 32 3.344 -2.047 10.481 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.525 -2.618 13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.242 -4.209 13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.241 -4.081 10.863 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.759 -5.026 12.276 1.00 0.00 H new ATOM 556 N SER A 33 3.786 0.439 7.406 1.00 0.00 N ATOM 557 CA SER A 33 5.195 0.697 7.109 1.00 0.00 C ATOM 558 C SER A 33 5.331 1.938 6.225 1.00 0.00 C ATOM 559 O SER A 33 6.381 2.581 6.213 1.00 0.00 O ATOM 560 CB SER A 33 5.831 -0.517 6.418 1.00 0.00 C ATOM 561 OG SER A 33 5.238 -0.710 5.141 1.00 0.00 O ATOM 0 H SER A 33 3.427 -0.439 7.031 1.00 0.00 H new ATOM 0 HA SER A 33 5.719 0.875 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.905 -0.365 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.695 -1.408 7.031 1.00 0.00 H new ATOM 0 HG SER A 33 4.354 -0.287 5.123 1.00 0.00 H new ATOM 567 N LEU A 34 4.259 2.261 5.489 1.00 0.00 N ATOM 568 CA LEU A 34 4.252 3.427 4.603 1.00 0.00 C ATOM 569 C LEU A 34 4.460 4.695 5.427 1.00 0.00 C ATOM 570 O LEU A 34 5.288 5.543 5.085 1.00 0.00 O ATOM 571 CB LEU A 34 2.904 3.495 3.861 1.00 0.00 C ATOM 572 CG LEU A 34 3.067 4.131 2.466 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.128 3.420 1.476 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.717 5.631 2.528 1.00 0.00 C ATOM 0 H LEU A 34 3.388 1.730 5.491 1.00 0.00 H new ATOM 0 HA LEU A 34 5.058 3.341 3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.490 2.492 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.192 4.076 4.447 1.00 0.00 H new ATOM 0 HG LEU A 34 4.100 4.023 2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.238 3.865 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.384 2.361 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.096 3.529 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.835 6.073 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.685 5.751 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.383 6.131 3.231 1.00 0.00 H new ATOM 586 N TYR A 35 3.718 4.792 6.534 1.00 0.00 N ATOM 587 CA TYR A 35 3.834 5.935 7.434 1.00 0.00 C ATOM 588 C TYR A 35 5.232 5.957 8.047 1.00 0.00 C ATOM 589 O TYR A 35 5.872 7.009 8.127 1.00 0.00 O ATOM 590 CB TYR A 35 2.778 5.835 8.543 1.00 0.00 C ATOM 591 CG TYR A 35 2.806 7.090 9.399 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.088 8.227 9.000 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.548 7.114 10.589 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.114 9.384 9.788 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.571 8.273 11.376 1.00 0.00 C ATOM 596 CZ TYR A 35 2.854 9.407 10.976 1.00 0.00 C ATOM 597 OH TYR A 35 2.878 10.548 11.752 1.00 0.00 O ATOM 0 H TYR A 35 3.034 4.094 6.825 1.00 0.00 H new ATOM 0 HA TYR A 35 3.670 6.856 6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.789 5.706 8.104 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.970 4.958 9.162 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.515 8.210 8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.101 6.240 10.898 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.563 10.260 9.479 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.142 8.292 12.292 1.00 0.00 H new ATOM 0 HH TYR A 35 3.437 10.395 12.542 1.00 0.00 H new ATOM 607 N ASP A 36 5.690 4.779 8.478 1.00 0.00 N ATOM 608 CA ASP A 36 7.016 4.643 9.089 1.00 0.00 C ATOM 609 C ASP A 36 8.126 5.042 8.107 1.00 0.00 C ATOM 610 O ASP A 36 9.124 5.648 8.508 1.00 0.00 O ATOM 611 CB ASP A 36 7.233 3.193 9.540 1.00 0.00 C ATOM 612 CG ASP A 36 8.531 3.083 10.341 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.577 2.986 9.720 1.00 0.00 O ATOM 614 OD2 ASP A 36 8.461 3.101 11.560 1.00 0.00 O ATOM 0 H ASP A 36 5.164 3.907 8.416 1.00 0.00 H new ATOM 0 HA ASP A 36 7.061 5.311 9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.391 2.863 10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.275 2.536 8.671 1.00 0.00 H new ATOM 619 N ASP A 37 7.945 4.683 6.828 1.00 0.00 N ATOM 620 CA ASP A 37 8.931 4.982 5.781 1.00 0.00 C ATOM 621 C ASP A 37 8.223 5.515 4.511 1.00 0.00 C ATOM 622 O ASP A 37 7.986 4.748 3.567 1.00 0.00 O ATOM 623 CB ASP A 37 9.739 3.711 5.449 1.00 0.00 C ATOM 624 CG ASP A 37 10.532 3.232 6.667 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.263 4.029 7.239 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.409 2.069 6.998 1.00 0.00 O ATOM 0 H ASP A 37 7.121 4.183 6.493 1.00 0.00 H new ATOM 0 HA ASP A 37 9.612 5.752 6.144 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.063 2.923 5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.421 3.915 4.623 1.00 0.00 H new ATOM 631 N PRO A 38 7.869 6.803 4.453 1.00 0.00 N ATOM 632 CA PRO A 38 7.169 7.380 3.258 1.00 0.00 C ATOM 633 C PRO A 38 8.027 7.317 1.990 1.00 0.00 C ATOM 634 O PRO A 38 7.514 7.455 0.877 1.00 0.00 O ATOM 635 CB PRO A 38 6.874 8.835 3.658 1.00 0.00 C ATOM 636 CG PRO A 38 7.842 9.155 4.746 1.00 0.00 C ATOM 637 CD PRO A 38 8.093 7.847 5.488 1.00 0.00 C ATOM 0 HA PRO A 38 6.268 6.818 3.011 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.001 9.508 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.846 8.946 4.003 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.770 9.555 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.437 9.912 5.417 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.106 7.802 5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.412 7.728 6.330 1.00 0.00 H new ATOM 645 N SER A 39 9.331 7.122 2.173 1.00 0.00 N ATOM 646 CA SER A 39 10.266 7.055 1.050 1.00 0.00 C ATOM 647 C SER A 39 10.006 5.838 0.149 1.00 0.00 C ATOM 648 O SER A 39 10.355 5.868 -1.035 1.00 0.00 O ATOM 649 CB SER A 39 11.705 7.006 1.576 1.00 0.00 C ATOM 650 OG SER A 39 11.910 5.795 2.297 1.00 0.00 O ATOM 0 H SER A 39 9.765 7.007 3.089 1.00 0.00 H new ATOM 0 HA SER A 39 10.116 7.950 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.409 7.070 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.896 7.863 2.223 1.00 0.00 H new ATOM 0 HG SER A 39 12.831 5.765 2.631 1.00 0.00 H new ATOM 656 N GLN A 40 9.426 4.764 0.712 1.00 0.00 N ATOM 657 CA GLN A 40 9.168 3.538 -0.063 1.00 0.00 C ATOM 658 C GLN A 40 7.701 3.413 -0.488 1.00 0.00 C ATOM 659 O GLN A 40 7.322 2.390 -1.056 1.00 0.00 O ATOM 660 CB GLN A 40 9.544 2.294 0.770 1.00 0.00 C ATOM 661 CG GLN A 40 10.919 2.465 1.438 1.00 0.00 C ATOM 662 CD GLN A 40 12.013 2.705 0.395 1.00 0.00 C ATOM 663 OE1 GLN A 40 12.214 1.883 -0.500 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.732 3.792 0.456 1.00 0.00 N ATOM 0 H GLN A 40 9.130 4.719 1.687 1.00 0.00 H new ATOM 0 HA GLN A 40 9.782 3.601 -0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.785 2.122 1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.556 1.413 0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.887 3.303 2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.157 1.575 2.021 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.565 4.473 1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.461 3.961 -0.238 1.00 0.00 H new ATOM 673 N SER A 41 6.876 4.432 -0.202 1.00 0.00 N ATOM 674 CA SER A 41 5.440 4.385 -0.543 1.00 0.00 C ATOM 675 C SER A 41 5.199 3.864 -1.966 1.00 0.00 C ATOM 676 O SER A 41 4.258 3.096 -2.199 1.00 0.00 O ATOM 677 CB SER A 41 4.813 5.775 -0.397 1.00 0.00 C ATOM 678 OG SER A 41 5.121 6.298 0.887 1.00 0.00 O ATOM 0 H SER A 41 7.172 5.292 0.260 1.00 0.00 H new ATOM 0 HA SER A 41 4.970 3.691 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.191 6.440 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.733 5.714 -0.528 1.00 0.00 H new ATOM 0 HG SER A 41 5.835 6.964 0.806 1.00 0.00 H new ATOM 684 N ALA A 42 6.060 4.265 -2.902 1.00 0.00 N ATOM 685 CA ALA A 42 5.937 3.815 -4.289 1.00 0.00 C ATOM 686 C ALA A 42 6.222 2.312 -4.389 1.00 0.00 C ATOM 687 O ALA A 42 5.480 1.571 -5.044 1.00 0.00 O ATOM 688 CB ALA A 42 6.919 4.587 -5.177 1.00 0.00 C ATOM 0 H ALA A 42 6.843 4.895 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 42 4.919 4.004 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.822 4.247 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.697 5.653 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.938 4.411 -4.831 1.00 0.00 H new ATOM 694 N ASN A 43 7.302 1.877 -3.731 1.00 0.00 N ATOM 695 CA ASN A 43 7.694 0.466 -3.742 1.00 0.00 C ATOM 696 C ASN A 43 6.656 -0.403 -3.034 1.00 0.00 C ATOM 697 O ASN A 43 6.281 -1.456 -3.543 1.00 0.00 O ATOM 698 CB ASN A 43 9.049 0.282 -3.042 1.00 0.00 C ATOM 699 CG ASN A 43 10.168 1.023 -3.780 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.996 1.467 -4.917 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.320 1.171 -3.190 1.00 0.00 N ATOM 0 H ASN A 43 7.918 2.481 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 43 7.767 0.157 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.983 0.648 -2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.290 -0.780 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.080 1.654 -3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.462 0.804 -2.249 1.00 0.00 H new ATOM 708 N LEU A 44 6.210 0.043 -1.855 1.00 0.00 N ATOM 709 CA LEU A 44 5.226 -0.710 -1.067 1.00 0.00 C ATOM 710 C LEU A 44 3.945 -0.948 -1.871 1.00 0.00 C ATOM 711 O LEU A 44 3.379 -2.042 -1.831 1.00 0.00 O ATOM 712 CB LEU A 44 4.873 0.059 0.207 1.00 0.00 C ATOM 713 CG LEU A 44 6.122 0.320 1.088 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.703 1.085 2.348 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.792 -0.998 1.503 1.00 0.00 C ATOM 0 H LEU A 44 6.513 0.918 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 44 5.670 -1.672 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.411 1.010 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.136 -0.505 0.779 1.00 0.00 H new ATOM 0 HG LEU A 44 6.835 0.905 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.579 1.270 2.970 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.253 2.036 2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.979 0.494 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.665 -0.784 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.085 -1.602 2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.102 -1.545 0.612 1.00 0.00 H new ATOM 727 N LEU A 45 3.505 0.081 -2.610 1.00 0.00 N ATOM 728 CA LEU A 45 2.299 -0.029 -3.443 1.00 0.00 C ATOM 729 C LEU A 45 2.500 -1.121 -4.494 1.00 0.00 C ATOM 730 O LEU A 45 1.657 -2.007 -4.660 1.00 0.00 O ATOM 731 CB LEU A 45 2.022 1.328 -4.116 1.00 0.00 C ATOM 732 CG LEU A 45 0.995 1.196 -5.267 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.344 0.662 -4.740 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.771 2.572 -5.913 1.00 0.00 C ATOM 0 H LEU A 45 3.962 0.992 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 45 1.443 -0.297 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.648 2.033 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.954 1.739 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 45 1.388 0.496 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.052 0.577 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.192 -0.319 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.740 1.348 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.048 2.480 -6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.391 3.268 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.715 2.946 -6.310 1.00 0.00 H new ATOM 746 N ALA A 46 3.640 -1.048 -5.177 1.00 0.00 N ATOM 747 CA ALA A 46 3.986 -2.039 -6.201 1.00 0.00 C ATOM 748 C ALA A 46 4.094 -3.426 -5.565 1.00 0.00 C ATOM 749 O ALA A 46 3.600 -4.419 -6.109 1.00 0.00 O ATOM 750 CB ALA A 46 5.323 -1.670 -6.851 1.00 0.00 C ATOM 0 H ALA A 46 4.339 -0.318 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 46 3.206 -2.050 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.575 -2.410 -7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.243 -0.687 -7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.104 -1.650 -6.091 1.00 0.00 H new ATOM 756 N GLU A 47 4.733 -3.464 -4.396 1.00 0.00 N ATOM 757 CA GLU A 47 4.914 -4.703 -3.644 1.00 0.00 C ATOM 758 C GLU A 47 3.564 -5.304 -3.253 1.00 0.00 C ATOM 759 O GLU A 47 3.383 -6.524 -3.298 1.00 0.00 O ATOM 760 CB GLU A 47 5.735 -4.417 -2.376 1.00 0.00 C ATOM 761 CG GLU A 47 7.226 -4.264 -2.728 1.00 0.00 C ATOM 762 CD GLU A 47 7.822 -5.610 -3.160 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.844 -6.520 -2.343 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.262 -5.710 -4.296 1.00 0.00 O ATOM 0 H GLU A 47 5.137 -2.642 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 47 5.442 -5.418 -4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.372 -3.508 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.605 -5.228 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.343 -3.535 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.771 -3.879 -1.866 1.00 0.00 H new ATOM 771 N ALA A 48 2.618 -4.441 -2.874 1.00 0.00 N ATOM 772 CA ALA A 48 1.285 -4.898 -2.485 1.00 0.00 C ATOM 773 C ALA A 48 0.606 -5.575 -3.671 1.00 0.00 C ATOM 774 O ALA A 48 -0.050 -6.610 -3.522 1.00 0.00 O ATOM 775 CB ALA A 48 0.442 -3.711 -2.010 1.00 0.00 C ATOM 0 H ALA A 48 2.750 -3.431 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 48 1.378 -5.614 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.549 -4.061 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.924 -3.242 -1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.350 -2.984 -2.817 1.00 0.00 H new ATOM 781 N LYS A 49 0.791 -4.986 -4.851 1.00 0.00 N ATOM 782 CA LYS A 49 0.213 -5.536 -6.073 1.00 0.00 C ATOM 783 C LYS A 49 0.845 -6.897 -6.376 1.00 0.00 C ATOM 784 O LYS A 49 0.176 -7.804 -6.877 1.00 0.00 O ATOM 785 CB LYS A 49 0.451 -4.576 -7.248 1.00 0.00 C ATOM 786 CG LYS A 49 -0.728 -4.652 -8.231 1.00 0.00 C ATOM 787 CD LYS A 49 -0.336 -4.003 -9.567 1.00 0.00 C ATOM 788 CE LYS A 49 -1.563 -3.347 -10.212 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.222 -2.908 -11.597 1.00 0.00 N ATOM 0 H LYS A 49 1.334 -4.133 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.861 -5.662 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.563 -3.556 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.379 -4.835 -7.758 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.013 -5.692 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.597 -4.145 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.442 -3.257 -9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.079 -4.755 -10.238 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.394 -4.051 -10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.887 -2.493 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.054 -2.463 -12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.441 -2.222 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.933 -3.732 -12.161 1.00 0.00 H new ATOM 803 N LYS A 50 2.144 -7.017 -6.068 1.00 0.00 N ATOM 804 CA LYS A 50 2.886 -8.255 -6.304 1.00 0.00 C ATOM 805 C LYS A 50 2.253 -9.414 -5.536 1.00 0.00 C ATOM 806 O LYS A 50 2.023 -10.488 -6.102 1.00 0.00 O ATOM 807 CB LYS A 50 4.340 -8.064 -5.854 1.00 0.00 C ATOM 808 CG LYS A 50 5.202 -9.245 -6.327 1.00 0.00 C ATOM 809 CD LYS A 50 6.683 -8.955 -6.034 1.00 0.00 C ATOM 810 CE LYS A 50 6.985 -9.167 -4.543 1.00 0.00 C ATOM 811 NZ LYS A 50 8.318 -8.582 -4.221 1.00 0.00 N ATOM 0 H LYS A 50 2.700 -6.268 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 50 2.857 -8.491 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.734 -7.132 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.385 -7.984 -4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.893 -10.159 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.058 -9.408 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.314 -9.609 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.923 -7.930 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.213 -8.698 -3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.975 -10.231 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.246 -8.008 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.006 -9.347 -4.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.633 -7.981 -5.009 1.00 0.00 H new ATOM 825 N LEU A 51 1.958 -9.180 -4.251 1.00 0.00 N ATOM 826 CA LEU A 51 1.331 -10.208 -3.415 1.00 0.00 C ATOM 827 C LEU A 51 -0.055 -10.550 -3.952 1.00 0.00 C ATOM 828 O LEU A 51 -0.454 -11.717 -3.952 1.00 0.00 O ATOM 829 CB LEU A 51 1.240 -9.728 -1.954 1.00 0.00 C ATOM 830 CG LEU A 51 2.546 -10.080 -1.211 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.636 -9.284 0.095 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.580 -11.587 -0.898 1.00 0.00 C ATOM 0 H LEU A 51 2.141 -8.298 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 51 1.947 -11.107 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.072 -8.651 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.390 -10.197 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 51 3.394 -9.824 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.561 -9.538 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.627 -8.217 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.785 -9.529 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.504 -11.829 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.728 -11.848 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.532 -12.153 -1.828 1.00 0.00 H new ATOM 844 N ASN A 52 -0.772 -9.529 -4.427 1.00 0.00 N ATOM 845 CA ASN A 52 -2.105 -9.729 -4.993 1.00 0.00 C ATOM 846 C ASN A 52 -2.015 -10.621 -6.233 1.00 0.00 C ATOM 847 O ASN A 52 -2.771 -11.587 -6.371 1.00 0.00 O ATOM 848 CB ASN A 52 -2.725 -8.357 -5.337 1.00 0.00 C ATOM 849 CG ASN A 52 -3.695 -8.444 -6.521 1.00 0.00 C ATOM 850 OD1 ASN A 52 -4.964 -8.642 -6.304 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.280 -8.327 -7.675 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.453 -8.560 -4.431 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.746 -10.227 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.251 -7.969 -4.465 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.930 -7.649 -5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.287 -8.172 -7.846 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.930 -8.385 -8.459 1.00 0.00 H new ATOM 858 N ASP A 53 -1.085 -10.281 -7.127 1.00 0.00 N ATOM 859 CA ASP A 53 -0.890 -11.043 -8.360 1.00 0.00 C ATOM 860 C ASP A 53 -0.471 -12.480 -8.059 1.00 0.00 C ATOM 861 O ASP A 53 -0.883 -13.410 -8.757 1.00 0.00 O ATOM 862 CB ASP A 53 0.185 -10.368 -9.221 1.00 0.00 C ATOM 863 CG ASP A 53 0.292 -11.054 -10.586 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.491 -10.718 -11.460 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.153 -11.908 -10.736 1.00 0.00 O ATOM 0 H ASP A 53 -0.457 -9.485 -7.020 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.837 -11.065 -8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.058 -9.314 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.147 -10.410 -8.710 1.00 0.00 H new ATOM 870 N ALA A 54 0.373 -12.646 -7.039 1.00 0.00 N ATOM 871 CA ALA A 54 0.871 -13.968 -6.677 1.00 0.00 C ATOM 872 C ALA A 54 -0.206 -14.824 -5.995 1.00 0.00 C ATOM 873 O ALA A 54 -0.437 -15.971 -6.391 1.00 0.00 O ATOM 874 CB ALA A 54 2.081 -13.827 -5.747 1.00 0.00 C ATOM 0 H ALA A 54 0.722 -11.886 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 54 1.162 -14.474 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.451 -14.817 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.868 -13.271 -6.256 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.786 -13.293 -4.844 1.00 0.00 H new ATOM 880 N GLN A 55 -0.847 -14.263 -4.963 1.00 0.00 N ATOM 881 CA GLN A 55 -1.889 -14.981 -4.214 1.00 0.00 C ATOM 882 C GLN A 55 -3.127 -15.252 -5.074 1.00 0.00 C ATOM 883 O GLN A 55 -3.871 -16.199 -4.808 1.00 0.00 O ATOM 884 CB GLN A 55 -2.286 -14.189 -2.955 1.00 0.00 C ATOM 885 CG GLN A 55 -1.099 -14.126 -1.984 1.00 0.00 C ATOM 886 CD GLN A 55 -1.362 -13.054 -0.935 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.593 -11.833 -1.327 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -1.359 -13.333 0.263 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.664 -13.317 -4.627 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.472 -15.944 -3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.596 -13.181 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.139 -14.663 -2.470 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.956 -15.094 -1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.181 -13.901 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.177 -14.291 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.538 -12.607 0.956 1.00 0.00 H new ATOM 897 N ALA A 56 -3.351 -14.408 -6.093 1.00 0.00 N ATOM 898 CA ALA A 56 -4.515 -14.553 -6.981 1.00 0.00 C ATOM 899 C ALA A 56 -4.590 -15.963 -7.595 1.00 0.00 C ATOM 900 O ALA A 56 -3.556 -16.576 -7.875 1.00 0.00 O ATOM 901 CB ALA A 56 -4.441 -13.515 -8.106 1.00 0.00 C ATOM 0 H ALA A 56 -2.744 -13.621 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.411 -14.394 -6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.305 -13.626 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.438 -12.513 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.528 -13.666 -8.681 1.00 0.00 H new ATOM 907 N PRO A 57 -5.791 -16.483 -7.810 1.00 0.00 N ATOM 908 CA PRO A 57 -5.995 -17.845 -8.400 1.00 0.00 C ATOM 909 C PRO A 57 -5.703 -17.879 -9.902 1.00 0.00 C ATOM 910 O PRO A 57 -5.826 -16.861 -10.591 1.00 0.00 O ATOM 911 CB PRO A 57 -7.472 -18.145 -8.117 1.00 0.00 C ATOM 912 CG PRO A 57 -8.134 -16.809 -8.044 1.00 0.00 C ATOM 913 CD PRO A 57 -7.085 -15.829 -7.515 1.00 0.00 C ATOM 0 HA PRO A 57 -5.317 -18.582 -7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.908 -18.758 -8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.591 -18.695 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.492 -16.500 -9.026 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.001 -16.842 -7.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.162 -14.860 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.208 -15.654 -6.446 1.00 0.00 H new ATOM 921 N LYS A 58 -5.322 -19.062 -10.395 1.00 0.00 N ATOM 922 CA LYS A 58 -5.012 -19.256 -11.817 1.00 0.00 C ATOM 923 C LYS A 58 -6.151 -20.004 -12.518 1.00 0.00 C ATOM 924 O LYS A 58 -6.514 -21.072 -12.048 1.00 0.00 O ATOM 925 CB LYS A 58 -3.705 -20.053 -11.962 1.00 0.00 C ATOM 926 CG LYS A 58 -2.526 -19.228 -11.419 1.00 0.00 C ATOM 927 CD LYS A 58 -1.210 -19.989 -11.639 1.00 0.00 C ATOM 928 CE LYS A 58 -0.044 -19.202 -11.025 1.00 0.00 C ATOM 929 NZ LYS A 58 1.138 -20.101 -10.881 1.00 0.00 N ATOM 930 OXT LYS A 58 -6.644 -19.500 -13.516 1.00 0.00 O ATOM 0 H LYS A 58 -5.220 -19.904 -9.828 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.895 -18.278 -12.283 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.781 -20.995 -11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.535 -20.301 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.485 -18.261 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.668 -19.030 -10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.271 -20.978 -11.186 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.039 -20.137 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.208 -18.350 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.332 -18.803 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.930 -19.570 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.893 -20.900 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.416 -20.461 -11.816 1.00 0.00 H new