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= 0.882 F(o=-4.8!,f=0.9) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.0178 F(o=-3.8!,f=0.9) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.813 K(o=1.8,f=-1.8) USER MOD Set 2.2: A 43 ASN : amide:sc= 1.03 K(o=1.8,f=-1.2) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.654 X(o=-0.79,f=-0.67) USER MOD Set 3.2: A 24 ASN : amide:sc= -0.141 K(o=-0.79,f=-2.8) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.0992! C(o=-0.72!,f=-5!) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -0.622 F(o=-1.3,f=-0.72) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.153) USER MOD Single : A 9 MET CE :methyl -164:sc= -0.0162 (180deg=-0.43) USER MOD Single : A 11 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.2) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -91:sc= 1.04 USER MOD Single : A 49 LYS NZ :NH3+ -117:sc= 1.13 (180deg=-0.163) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 0.633 (180deg=0.551) USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= -0.032 (180deg=-0.552) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.952 13.258 0.041 1.00 0.00 N ATOM 100 CA LYS A 7 -2.035 12.988 -0.915 1.00 0.00 C ATOM 101 C LYS A 7 -1.728 11.781 -1.807 1.00 0.00 C ATOM 102 O LYS A 7 -2.566 10.882 -1.958 1.00 0.00 O ATOM 103 CB LYS A 7 -2.256 14.234 -1.792 1.00 0.00 C ATOM 104 CG LYS A 7 -3.499 14.061 -2.686 1.00 0.00 C ATOM 105 CD LYS A 7 -4.780 14.249 -1.856 1.00 0.00 C ATOM 106 CE LYS A 7 -6.008 14.243 -2.777 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.075 15.532 -3.526 1.00 0.00 N ATOM 0 HA LYS A 7 -2.935 12.755 -0.346 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.377 15.113 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.377 14.408 -2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.474 14.786 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.494 13.071 -3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.865 13.452 -1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.732 15.189 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.949 13.408 -3.475 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.916 14.104 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.008 15.624 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.929 16.324 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.335 15.548 -4.256 1.00 0.00 H new ATOM 121 N GLU A 8 -0.532 11.767 -2.396 1.00 0.00 N ATOM 122 CA GLU A 8 -0.131 10.670 -3.277 1.00 0.00 C ATOM 123 C GLU A 8 -0.096 9.346 -2.512 1.00 0.00 C ATOM 124 O GLU A 8 -0.542 8.310 -3.022 1.00 0.00 O ATOM 125 CB GLU A 8 1.254 10.961 -3.880 1.00 0.00 C ATOM 126 CG GLU A 8 1.159 12.111 -4.909 1.00 0.00 C ATOM 127 CD GLU A 8 0.956 13.483 -4.237 1.00 0.00 C ATOM 128 OE1 GLU A 8 1.430 13.677 -3.125 1.00 0.00 O ATOM 129 OE2 GLU A 8 0.337 14.332 -4.859 1.00 0.00 O ATOM 0 H GLU A 8 0.171 12.497 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.864 10.587 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.954 11.229 -3.089 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.645 10.064 -4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.068 12.134 -5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.331 11.917 -5.591 1.00 0.00 H new ATOM 136 N MET A 9 0.428 9.386 -1.287 1.00 0.00 N ATOM 137 CA MET A 9 0.509 8.184 -0.465 1.00 0.00 C ATOM 138 C MET A 9 -0.887 7.662 -0.124 1.00 0.00 C ATOM 139 O MET A 9 -1.101 6.448 -0.093 1.00 0.00 O ATOM 140 CB MET A 9 1.317 8.462 0.809 1.00 0.00 C ATOM 141 CG MET A 9 2.785 8.709 0.426 1.00 0.00 C ATOM 142 SD MET A 9 3.839 8.600 1.894 1.00 0.00 S ATOM 143 CE MET A 9 3.208 10.054 2.764 1.00 0.00 C ATOM 0 H MET A 9 0.798 10.229 -0.848 1.00 0.00 H new ATOM 0 HA MET A 9 1.024 7.411 -1.036 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.912 9.330 1.330 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.243 7.617 1.494 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.104 7.976 -0.315 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.889 9.692 -0.033 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.905 10.337 3.553 1.00 0.00 H new ATOM 0 HE2 MET A 9 3.101 10.880 2.061 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.237 9.823 3.203 1.00 0.00 H new ATOM 153 N ARG A 10 -1.838 8.580 0.112 1.00 0.00 N ATOM 154 CA ARG A 10 -3.216 8.181 0.423 1.00 0.00 C ATOM 155 C ARG A 10 -3.809 7.391 -0.745 1.00 0.00 C ATOM 156 O ARG A 10 -4.515 6.396 -0.537 1.00 0.00 O ATOM 157 CB ARG A 10 -4.093 9.410 0.719 1.00 0.00 C ATOM 158 CG ARG A 10 -3.720 10.010 2.086 1.00 0.00 C ATOM 159 CD ARG A 10 -4.616 11.220 2.384 1.00 0.00 C ATOM 160 NE ARG A 10 -4.147 11.920 3.583 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.371 11.452 4.815 1.00 0.00 C ATOM 162 NH1 ARG A 10 -5.024 10.336 4.998 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.933 12.117 5.845 1.00 0.00 N ATOM 0 H ARG A 10 -1.680 9.588 0.094 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.194 7.551 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.961 10.158 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.145 9.125 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.836 9.259 2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.673 10.312 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.613 11.901 1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.646 10.892 2.526 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.632 12.794 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.370 9.810 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.188 9.990 5.943 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.422 12.989 5.709 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.100 11.766 6.788 1.00 0.00 H new ATOM 177 N ASN A 11 -3.505 7.834 -1.973 1.00 0.00 N ATOM 178 CA ASN A 11 -4.000 7.148 -3.168 1.00 0.00 C ATOM 179 C ASN A 11 -3.461 5.715 -3.209 1.00 0.00 C ATOM 180 O ASN A 11 -4.207 4.773 -3.498 1.00 0.00 O ATOM 181 CB ASN A 11 -3.575 7.900 -4.441 1.00 0.00 C ATOM 182 CG ASN A 11 -4.198 9.297 -4.477 1.00 0.00 C ATOM 183 OD1 ASN A 11 -3.488 10.291 -4.628 1.00 0.00 O ATOM 184 ND2 ASN A 11 -5.490 9.433 -4.355 1.00 0.00 N ATOM 0 H ASN A 11 -2.927 8.653 -2.161 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.089 7.124 -3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.489 7.980 -4.477 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.882 7.336 -5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.910 10.362 -4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.080 8.610 -4.230 1.00 0.00 H new ATOM 191 N ALA A 12 -2.165 5.559 -2.899 1.00 0.00 N ATOM 192 CA ALA A 12 -1.542 4.231 -2.886 1.00 0.00 C ATOM 193 C ALA A 12 -2.127 3.382 -1.754 1.00 0.00 C ATOM 194 O ALA A 12 -2.376 2.189 -1.932 1.00 0.00 O ATOM 195 CB ALA A 12 -0.019 4.348 -2.719 1.00 0.00 C ATOM 0 H ALA A 12 -1.537 6.326 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.751 3.746 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.424 3.352 -2.712 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.395 4.923 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.206 4.852 -1.779 1.00 0.00 H new ATOM 201 N TYR A 13 -2.350 4.017 -0.593 1.00 0.00 N ATOM 202 CA TYR A 13 -2.911 3.329 0.582 1.00 0.00 C ATOM 203 C TYR A 13 -4.261 2.687 0.237 1.00 0.00 C ATOM 204 O TYR A 13 -4.498 1.510 0.534 1.00 0.00 O ATOM 205 CB TYR A 13 -3.041 4.352 1.750 1.00 0.00 C ATOM 206 CG TYR A 13 -4.379 4.243 2.480 1.00 0.00 C ATOM 207 CD1 TYR A 13 -4.713 3.073 3.176 1.00 0.00 C ATOM 208 CD2 TYR A 13 -5.281 5.319 2.459 1.00 0.00 C ATOM 209 CE1 TYR A 13 -5.939 2.979 3.847 1.00 0.00 C ATOM 210 CE2 TYR A 13 -6.506 5.222 3.130 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.835 4.053 3.824 1.00 0.00 C ATOM 212 OH TYR A 13 -8.043 3.959 4.485 1.00 0.00 O ATOM 0 H TYR A 13 -2.151 5.006 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.246 2.524 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.230 4.192 2.460 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.927 5.362 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.023 2.242 3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.029 6.223 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.193 2.076 4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.198 6.051 3.112 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.545 4.793 4.369 1.00 0.00 H new ATOM 222 N TRP A 14 -5.127 3.477 -0.386 1.00 0.00 N ATOM 223 CA TRP A 14 -6.455 3.016 -0.778 1.00 0.00 C ATOM 224 C TRP A 14 -6.372 1.849 -1.772 1.00 0.00 C ATOM 225 O TRP A 14 -7.109 0.866 -1.644 1.00 0.00 O ATOM 226 CB TRP A 14 -7.208 4.186 -1.414 1.00 0.00 C ATOM 227 CG TRP A 14 -8.638 3.811 -1.667 1.00 0.00 C ATOM 228 CD1 TRP A 14 -9.138 3.402 -2.857 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.758 3.805 -0.731 1.00 0.00 C ATOM 230 NE1 TRP A 14 -10.491 3.146 -2.711 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.919 3.379 -1.420 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.876 4.124 0.634 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -12.152 3.274 -0.777 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -11.117 4.019 1.284 1.00 0.00 C ATOM 235 CH2 TRP A 14 -12.253 3.595 0.580 1.00 0.00 C ATOM 0 H TRP A 14 -4.932 4.447 -0.632 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.981 2.659 0.107 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.164 5.055 -0.758 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -6.728 4.469 -2.351 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.573 3.293 -3.771 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -11.097 2.824 -3.466 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.007 4.452 1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -13.024 2.947 -1.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -11.196 4.266 2.332 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -13.204 3.517 1.085 1.00 0.00 H new ATOM 246 N GLU A 15 -5.483 1.977 -2.768 1.00 0.00 N ATOM 247 CA GLU A 15 -5.325 0.937 -3.790 1.00 0.00 C ATOM 248 C GLU A 15 -4.881 -0.390 -3.169 1.00 0.00 C ATOM 249 O GLU A 15 -5.360 -1.452 -3.568 1.00 0.00 O ATOM 250 CB GLU A 15 -4.314 1.389 -4.856 1.00 0.00 C ATOM 251 CG GLU A 15 -4.310 0.387 -6.032 1.00 0.00 C ATOM 252 CD GLU A 15 -3.291 0.784 -7.118 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.960 1.958 -7.224 1.00 0.00 O ATOM 254 OE2 GLU A 15 -2.854 -0.105 -7.834 1.00 0.00 O ATOM 0 H GLU A 15 -4.869 2.783 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.295 0.780 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.572 2.385 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.317 1.456 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.074 -0.610 -5.659 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.307 0.336 -6.470 1.00 0.00 H new ATOM 261 N ILE A 16 -3.974 -0.325 -2.186 1.00 0.00 N ATOM 262 CA ILE A 16 -3.494 -1.538 -1.514 1.00 0.00 C ATOM 263 C ILE A 16 -4.660 -2.259 -0.832 1.00 0.00 C ATOM 264 O ILE A 16 -4.875 -3.456 -1.048 1.00 0.00 O ATOM 265 CB ILE A 16 -2.421 -1.172 -0.467 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.172 -0.616 -1.175 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.029 -2.413 0.356 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.276 0.103 -0.159 1.00 0.00 C ATOM 0 H ILE A 16 -3.563 0.543 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.054 -2.201 -2.259 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.832 -0.416 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.620 -1.427 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.468 0.074 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.271 -2.138 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.908 -2.801 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.629 -3.179 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.606 0.495 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.828 0.925 0.295 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.032 -0.599 0.616 1.00 0.00 H new ATOM 280 N ALA A 17 -5.400 -1.510 -0.012 1.00 0.00 N ATOM 281 CA ALA A 17 -6.545 -2.059 0.716 1.00 0.00 C ATOM 282 C ALA A 17 -7.586 -2.646 -0.240 1.00 0.00 C ATOM 283 O ALA A 17 -8.286 -3.600 0.109 1.00 0.00 O ATOM 284 CB ALA A 17 -7.191 -0.960 1.569 1.00 0.00 C ATOM 0 H ALA A 17 -5.226 -0.521 0.164 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.183 -2.862 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.043 -1.372 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.461 -0.576 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.529 -0.150 0.923 1.00 0.00 H new ATOM 290 N LEU A 18 -7.689 -2.061 -1.438 1.00 0.00 N ATOM 291 CA LEU A 18 -8.655 -2.523 -2.440 1.00 0.00 C ATOM 292 C LEU A 18 -8.393 -3.980 -2.847 1.00 0.00 C ATOM 293 O LEU A 18 -9.338 -4.728 -3.111 1.00 0.00 O ATOM 294 CB LEU A 18 -8.598 -1.614 -3.680 1.00 0.00 C ATOM 295 CG LEU A 18 -9.731 -1.967 -4.668 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.095 -1.583 -4.070 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.519 -1.201 -5.983 1.00 0.00 C ATOM 0 H LEU A 18 -7.118 -1.270 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.649 -2.474 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.685 -0.571 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.632 -1.723 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.714 -3.040 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.886 -1.837 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.251 -2.128 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.116 -0.512 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.318 -1.449 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.530 -0.129 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.559 -1.481 -6.416 1.00 0.00 H new ATOM 309 N LEU A 19 -7.111 -4.377 -2.908 1.00 0.00 N ATOM 310 CA LEU A 19 -6.760 -5.751 -3.304 1.00 0.00 C ATOM 311 C LEU A 19 -7.162 -6.747 -2.205 1.00 0.00 C ATOM 312 O LEU A 19 -6.710 -6.618 -1.068 1.00 0.00 O ATOM 313 CB LEU A 19 -5.249 -5.863 -3.567 1.00 0.00 C ATOM 314 CG LEU A 19 -4.860 -5.401 -5.002 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.811 -4.323 -5.553 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.429 -4.842 -4.986 1.00 0.00 C ATOM 0 H LEU A 19 -6.314 -3.779 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.303 -5.990 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.710 -5.260 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.934 -6.896 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.932 -6.272 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.494 -4.037 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.826 -4.719 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.787 -3.449 -4.902 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.154 -4.518 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.377 -3.994 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.739 -5.618 -4.653 1.00 0.00 H new ATOM 328 N PRO A 20 -8.004 -7.722 -2.525 1.00 0.00 N ATOM 329 CA PRO A 20 -8.500 -8.756 -1.548 1.00 0.00 C ATOM 330 C PRO A 20 -7.606 -10.002 -1.399 1.00 0.00 C ATOM 331 O PRO A 20 -7.697 -10.708 -0.390 1.00 0.00 O ATOM 332 CB PRO A 20 -9.836 -9.152 -2.175 1.00 0.00 C ATOM 333 CG PRO A 20 -9.573 -9.104 -3.645 1.00 0.00 C ATOM 334 CD PRO A 20 -8.595 -7.952 -3.864 1.00 0.00 C ATOM 0 HA PRO A 20 -8.537 -8.354 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.147 -10.147 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.631 -8.463 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.151 -10.046 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.497 -8.942 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.832 -8.211 -4.598 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.104 -7.062 -4.234 1.00 0.00 H new ATOM 342 N ASN A 21 -6.787 -10.291 -2.412 1.00 0.00 N ATOM 343 CA ASN A 21 -5.928 -11.487 -2.394 1.00 0.00 C ATOM 344 C ASN A 21 -4.928 -11.451 -1.242 1.00 0.00 C ATOM 345 O ASN A 21 -4.603 -12.495 -0.670 1.00 0.00 O ATOM 346 CB ASN A 21 -5.156 -11.670 -3.726 1.00 0.00 C ATOM 347 CG ASN A 21 -5.450 -10.544 -4.716 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.262 -9.371 -4.397 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.904 -10.831 -5.902 1.00 0.00 N ATOM 0 H ASN A 21 -6.697 -9.720 -3.252 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.600 -12.334 -2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.086 -11.704 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.426 -12.626 -4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.104 -10.083 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.060 -11.804 -6.167 1.00 0.00 H new ATOM 356 N LEU A 22 -4.426 -10.258 -0.922 1.00 0.00 N ATOM 357 CA LEU A 22 -3.440 -10.126 0.149 1.00 0.00 C ATOM 358 C LEU A 22 -4.088 -10.306 1.512 1.00 0.00 C ATOM 359 O LEU A 22 -5.130 -9.713 1.803 1.00 0.00 O ATOM 360 CB LEU A 22 -2.741 -8.757 0.098 1.00 0.00 C ATOM 361 CG LEU A 22 -2.140 -8.503 -1.298 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.162 -7.810 -2.196 1.00 0.00 C ATOM 363 CD2 LEU A 22 -0.902 -7.615 -1.172 1.00 0.00 C ATOM 0 H LEU A 22 -4.681 -9.383 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.697 -10.909 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.455 -7.970 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.954 -8.717 0.851 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.865 -9.461 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.724 -7.637 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.044 -8.442 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.448 -6.856 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.479 -7.437 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.181 -6.663 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.161 -8.111 -0.545 1.00 0.00 H new ATOM 375 N ASN A 23 -3.446 -11.137 2.339 1.00 0.00 N ATOM 376 CA ASN A 23 -3.937 -11.421 3.699 1.00 0.00 C ATOM 377 C ASN A 23 -4.121 -10.121 4.505 1.00 0.00 C ATOM 378 O ASN A 23 -3.519 -9.089 4.183 1.00 0.00 O ATOM 379 CB ASN A 23 -2.959 -12.361 4.428 1.00 0.00 C ATOM 380 CG ASN A 23 -3.730 -13.428 5.204 1.00 0.00 C ATOM 381 OD1 ASN A 23 -3.714 -14.601 4.832 1.00 0.00 O ATOM 382 ND2 ASN A 23 -4.411 -13.089 6.261 1.00 0.00 N ATOM 0 H ASN A 23 -2.585 -11.627 2.094 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.908 -11.909 3.615 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.294 -12.835 3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.332 -11.787 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.931 -13.796 6.781 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.424 -12.117 6.569 1.00 0.00 H new ATOM 389 N ASN A 24 -4.979 -10.181 5.531 1.00 0.00 N ATOM 390 CA ASN A 24 -5.276 -9.006 6.363 1.00 0.00 C ATOM 391 C ASN A 24 -4.015 -8.409 6.998 1.00 0.00 C ATOM 392 O ASN A 24 -3.862 -7.185 7.046 1.00 0.00 O ATOM 393 CB ASN A 24 -6.294 -9.381 7.458 1.00 0.00 C ATOM 394 CG ASN A 24 -5.666 -10.284 8.524 1.00 0.00 C ATOM 395 OD1 ASN A 24 -5.045 -11.294 8.199 1.00 0.00 O ATOM 396 ND2 ASN A 24 -5.792 -9.973 9.784 1.00 0.00 N ATOM 0 H ASN A 24 -5.479 -11.027 5.805 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.701 -8.243 5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.676 -8.474 7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.146 -9.889 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.375 -10.568 10.500 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.307 -9.135 10.053 1.00 0.00 H new ATOM 403 N GLN A 25 -3.128 -9.273 7.491 1.00 0.00 N ATOM 404 CA GLN A 25 -1.894 -8.817 8.132 1.00 0.00 C ATOM 405 C GLN A 25 -1.007 -8.071 7.136 1.00 0.00 C ATOM 406 O GLN A 25 -0.455 -7.017 7.456 1.00 0.00 O ATOM 407 CB GLN A 25 -1.132 -10.018 8.710 1.00 0.00 C ATOM 408 CG GLN A 25 -1.954 -10.648 9.845 1.00 0.00 C ATOM 409 CD GLN A 25 -1.250 -11.888 10.407 1.00 0.00 C ATOM 410 OE1 GLN A 25 -0.506 -12.568 9.697 1.00 0.00 O ATOM 411 NE2 GLN A 25 -1.444 -12.225 11.653 1.00 0.00 N ATOM 0 H GLN A 25 -3.239 -10.286 7.460 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.158 -8.132 8.938 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.947 -10.755 7.929 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.159 -9.699 9.085 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.103 -9.918 10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.942 -10.922 9.475 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.059 -11.665 12.243 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.981 -13.049 12.037 1.00 0.00 H new ATOM 420 N GLN A 26 -0.884 -8.627 5.930 1.00 0.00 N ATOM 421 CA GLN A 26 -0.067 -8.013 4.884 1.00 0.00 C ATOM 422 C GLN A 26 -0.626 -6.644 4.495 1.00 0.00 C ATOM 423 O GLN A 26 0.133 -5.704 4.246 1.00 0.00 O ATOM 424 CB GLN A 26 -0.031 -8.923 3.648 1.00 0.00 C ATOM 425 CG GLN A 26 0.675 -10.243 3.989 1.00 0.00 C ATOM 426 CD GLN A 26 0.692 -11.154 2.767 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.433 -11.626 2.309 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 1.752 -11.437 2.210 1.00 0.00 N flip ATOM 0 H GLN A 26 -1.338 -9.498 5.655 1.00 0.00 H new ATOM 0 HA GLN A 26 0.944 -7.881 5.270 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.046 -9.122 3.303 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.490 -8.422 2.832 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.695 -10.045 4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.162 -10.737 4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.632 -11.067 2.570 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.751 -12.042 1.389 1.00 0.00 H new ATOM 437 N LYS A 27 -1.959 -6.551 4.441 1.00 0.00 N ATOM 438 CA LYS A 27 -2.632 -5.303 4.069 1.00 0.00 C ATOM 439 C LYS A 27 -2.241 -4.165 5.020 1.00 0.00 C ATOM 440 O LYS A 27 -1.621 -3.183 4.604 1.00 0.00 O ATOM 441 CB LYS A 27 -4.154 -5.530 4.123 1.00 0.00 C ATOM 442 CG LYS A 27 -4.915 -4.274 3.664 1.00 0.00 C ATOM 443 CD LYS A 27 -6.427 -4.515 3.790 1.00 0.00 C ATOM 444 CE LYS A 27 -6.845 -4.525 5.268 1.00 0.00 C ATOM 445 NZ LYS A 27 -8.326 -4.379 5.365 1.00 0.00 N ATOM 0 H LYS A 27 -2.592 -7.323 4.650 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.328 -5.018 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.422 -6.374 3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.451 -5.788 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.621 -3.417 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.659 -4.038 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.972 -3.736 3.256 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.691 -5.465 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.528 -5.455 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.353 -3.712 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.611 -4.386 6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.616 -3.481 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.786 -5.169 4.869 1.00 0.00 H new ATOM 459 N ARG A 28 -2.618 -4.316 6.289 1.00 0.00 N ATOM 460 CA ARG A 28 -2.329 -3.310 7.318 1.00 0.00 C ATOM 461 C ARG A 28 -0.824 -3.073 7.472 1.00 0.00 C ATOM 462 O ARG A 28 -0.399 -1.952 7.767 1.00 0.00 O ATOM 463 CB ARG A 28 -2.911 -3.760 8.669 1.00 0.00 C ATOM 464 CG ARG A 28 -4.446 -3.821 8.588 1.00 0.00 C ATOM 465 CD ARG A 28 -5.024 -4.230 9.949 1.00 0.00 C ATOM 466 NE ARG A 28 -4.812 -3.164 10.932 1.00 0.00 N ATOM 467 CZ ARG A 28 -5.215 -3.279 12.201 1.00 0.00 C ATOM 468 NH1 ARG A 28 -5.818 -4.362 12.615 1.00 0.00 N ATOM 469 NH2 ARG A 28 -5.004 -2.302 13.035 1.00 0.00 N ATOM 0 H ARG A 28 -3.128 -5.130 6.634 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.792 -2.375 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.514 -4.739 8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.608 -3.067 9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.842 -2.850 8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.751 -4.536 7.824 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.090 -4.438 9.852 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.550 -5.150 10.292 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.342 -2.308 10.638 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.986 -5.132 11.967 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.121 -4.438 13.586 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.533 -1.454 12.719 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.309 -2.384 14.005 1.00 0.00 H new ATOM 483 N ALA A 29 -0.031 -4.134 7.291 1.00 0.00 N ATOM 484 CA ALA A 29 1.424 -4.037 7.432 1.00 0.00 C ATOM 485 C ALA A 29 2.020 -3.033 6.438 1.00 0.00 C ATOM 486 O ALA A 29 2.880 -2.229 6.812 1.00 0.00 O ATOM 487 CB ALA A 29 2.061 -5.417 7.222 1.00 0.00 C ATOM 0 H ALA A 29 -0.370 -5.065 7.048 1.00 0.00 H new ATOM 0 HA ALA A 29 1.640 -3.682 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.143 -5.338 7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.673 -6.114 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.820 -5.781 6.223 1.00 0.00 H new ATOM 493 N PHE A 30 1.562 -3.079 5.181 1.00 0.00 N ATOM 494 CA PHE A 30 2.071 -2.159 4.155 1.00 0.00 C ATOM 495 C PHE A 30 1.734 -0.711 4.505 1.00 0.00 C ATOM 496 O PHE A 30 2.616 0.150 4.514 1.00 0.00 O ATOM 497 CB PHE A 30 1.476 -2.498 2.777 1.00 0.00 C ATOM 498 CG PHE A 30 2.245 -3.640 2.140 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.618 -3.505 1.893 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.587 -4.825 1.785 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.331 -4.552 1.297 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.300 -5.870 1.191 1.00 0.00 C ATOM 503 CZ PHE A 30 3.673 -5.734 0.946 1.00 0.00 C ATOM 0 H PHE A 30 0.851 -3.732 4.853 1.00 0.00 H new ATOM 0 HA PHE A 30 3.154 -2.274 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.426 -2.772 2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.513 -1.621 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.127 -2.591 2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.528 -4.931 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.389 -4.446 1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.792 -6.784 0.920 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.222 -6.542 0.486 1.00 0.00 H new ATOM 513 N ILE A 31 0.451 -0.454 4.774 1.00 0.00 N ATOM 514 CA ILE A 31 -0.023 0.894 5.108 1.00 0.00 C ATOM 515 C ILE A 31 0.736 1.463 6.315 1.00 0.00 C ATOM 516 O ILE A 31 1.174 2.617 6.286 1.00 0.00 O ATOM 517 CB ILE A 31 -1.537 0.862 5.416 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.323 0.176 4.267 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.059 2.296 5.605 1.00 0.00 C ATOM 520 CD1 ILE A 31 -1.943 0.754 2.898 1.00 0.00 C ATOM 0 H ILE A 31 -0.281 -1.164 4.767 1.00 0.00 H new ATOM 0 HA ILE A 31 0.161 1.539 4.249 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.687 0.289 6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.123 -0.895 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.393 0.303 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.127 2.269 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.532 2.769 6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.888 2.868 4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.514 0.249 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.167 1.821 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.878 0.604 2.723 1.00 0.00 H new ATOM 532 N ARG A 32 0.890 0.648 7.366 1.00 0.00 N ATOM 533 CA ARG A 32 1.603 1.082 8.572 1.00 0.00 C ATOM 534 C ARG A 32 3.057 1.428 8.236 1.00 0.00 C ATOM 535 O ARG A 32 3.561 2.490 8.628 1.00 0.00 O ATOM 536 CB ARG A 32 1.560 -0.030 9.632 1.00 0.00 C ATOM 537 CG ARG A 32 2.157 0.479 10.956 1.00 0.00 C ATOM 538 CD ARG A 32 2.128 -0.642 12.004 1.00 0.00 C ATOM 539 NE ARG A 32 2.560 -0.132 13.309 1.00 0.00 N ATOM 540 CZ ARG A 32 3.844 0.107 13.592 1.00 0.00 C ATOM 541 NH1 ARG A 32 4.775 -0.105 12.702 1.00 0.00 N ATOM 542 NH2 ARG A 32 4.170 0.559 14.769 1.00 0.00 N ATOM 0 H ARG A 32 0.534 -0.307 7.406 1.00 0.00 H new ATOM 0 HA ARG A 32 1.115 1.973 8.967 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.531 -0.354 9.789 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.118 -0.898 9.282 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.182 0.815 10.798 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.591 1.339 11.314 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.120 -1.050 12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.780 -1.458 11.691 1.00 0.00 H new ATOM 0 HE ARG A 32 1.856 0.047 14.025 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.526 -0.457 11.778 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.751 0.082 12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.447 0.728 15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.148 0.743 14.991 1.00 0.00 H new ATOM 556 N SER A 33 3.714 0.529 7.496 1.00 0.00 N ATOM 557 CA SER A 33 5.105 0.738 7.087 1.00 0.00 C ATOM 558 C SER A 33 5.215 1.979 6.199 1.00 0.00 C ATOM 559 O SER A 33 6.249 2.650 6.186 1.00 0.00 O ATOM 560 CB SER A 33 5.624 -0.486 6.324 1.00 0.00 C ATOM 561 OG SER A 33 7.025 -0.351 6.106 1.00 0.00 O ATOM 0 H SER A 33 3.306 -0.347 7.169 1.00 0.00 H new ATOM 0 HA SER A 33 5.709 0.884 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.419 -1.395 6.890 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.104 -0.581 5.371 1.00 0.00 H new ATOM 0 HG SER A 33 7.357 -1.134 5.620 1.00 0.00 H new ATOM 567 N LEU A 34 4.139 2.258 5.453 1.00 0.00 N ATOM 568 CA LEU A 34 4.092 3.406 4.545 1.00 0.00 C ATOM 569 C LEU A 34 4.335 4.706 5.314 1.00 0.00 C ATOM 570 O LEU A 34 5.204 5.502 4.943 1.00 0.00 O ATOM 571 CB LEU A 34 2.711 3.449 3.859 1.00 0.00 C ATOM 572 CG LEU A 34 2.844 3.862 2.383 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.736 3.180 1.563 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.718 5.391 2.254 1.00 0.00 C ATOM 0 H LEU A 34 3.286 1.699 5.462 1.00 0.00 H new ATOM 0 HA LEU A 34 4.874 3.302 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.237 2.470 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.063 4.153 4.381 1.00 0.00 H new ATOM 0 HG LEU A 34 3.819 3.553 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.827 3.470 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.833 2.098 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.761 3.488 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.813 5.677 1.206 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.746 5.709 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.506 5.871 2.834 1.00 0.00 H new ATOM 586 N TYR A 35 3.573 4.894 6.395 1.00 0.00 N ATOM 587 CA TYR A 35 3.712 6.082 7.234 1.00 0.00 C ATOM 588 C TYR A 35 5.114 6.120 7.845 1.00 0.00 C ATOM 589 O TYR A 35 5.737 7.181 7.931 1.00 0.00 O ATOM 590 CB TYR A 35 2.650 6.065 8.346 1.00 0.00 C ATOM 591 CG TYR A 35 2.709 7.359 9.141 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.031 8.497 8.681 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.443 7.419 10.334 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.088 9.690 9.413 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.498 8.613 11.064 1.00 0.00 C ATOM 596 CZ TYR A 35 2.821 9.748 10.604 1.00 0.00 C ATOM 597 OH TYR A 35 2.876 10.924 11.323 1.00 0.00 O ATOM 0 H TYR A 35 2.856 4.239 6.707 1.00 0.00 H new ATOM 0 HA TYR A 35 3.566 6.973 6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.658 5.941 7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.817 5.215 9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.465 8.454 7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.966 6.544 10.690 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.566 10.566 9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.064 8.658 11.983 1.00 0.00 H new ATOM 0 HH TYR A 35 3.425 10.792 12.124 1.00 0.00 H new ATOM 607 N ASP A 36 5.594 4.945 8.266 1.00 0.00 N ATOM 608 CA ASP A 36 6.920 4.828 8.870 1.00 0.00 C ATOM 609 C ASP A 36 8.016 5.246 7.882 1.00 0.00 C ATOM 610 O ASP A 36 8.989 5.899 8.267 1.00 0.00 O ATOM 611 CB ASP A 36 7.160 3.378 9.324 1.00 0.00 C ATOM 612 CG ASP A 36 8.226 3.333 10.424 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.353 3.715 10.149 1.00 0.00 O ATOM 614 OD2 ASP A 36 7.901 2.917 11.525 1.00 0.00 O ATOM 0 H ASP A 36 5.083 4.065 8.199 1.00 0.00 H new ATOM 0 HA ASP A 36 6.961 5.495 9.731 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.229 2.947 9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.478 2.772 8.475 1.00 0.00 H new ATOM 619 N ASP A 37 7.850 4.854 6.610 1.00 0.00 N ATOM 620 CA ASP A 37 8.828 5.172 5.562 1.00 0.00 C ATOM 621 C ASP A 37 8.116 5.624 4.273 1.00 0.00 C ATOM 622 O ASP A 37 7.911 4.823 3.353 1.00 0.00 O ATOM 623 CB ASP A 37 9.706 3.937 5.279 1.00 0.00 C ATOM 624 CG ASP A 37 10.541 3.561 6.506 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.228 4.426 7.031 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.494 2.410 6.890 1.00 0.00 O ATOM 0 H ASP A 37 7.047 4.316 6.283 1.00 0.00 H new ATOM 0 HA ASP A 37 9.459 5.990 5.908 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.074 3.096 4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.365 4.141 4.435 1.00 0.00 H new ATOM 631 N PRO A 38 7.739 6.889 4.192 1.00 0.00 N ATOM 632 CA PRO A 38 7.037 7.455 2.991 1.00 0.00 C ATOM 633 C PRO A 38 7.801 7.191 1.689 1.00 0.00 C ATOM 634 O PRO A 38 7.199 7.108 0.613 1.00 0.00 O ATOM 635 CB PRO A 38 6.968 8.961 3.285 1.00 0.00 C ATOM 636 CG PRO A 38 7.053 9.077 4.770 1.00 0.00 C ATOM 637 CD PRO A 38 7.934 7.920 5.234 1.00 0.00 C ATOM 0 HA PRO A 38 6.059 6.997 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.787 9.494 2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.040 9.393 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.482 10.035 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.063 9.019 5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.979 8.219 5.311 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.633 7.557 6.217 1.00 0.00 H new ATOM 645 N SER A 39 9.126 7.073 1.804 1.00 0.00 N ATOM 646 CA SER A 39 9.991 6.833 0.646 1.00 0.00 C ATOM 647 C SER A 39 9.631 5.532 -0.080 1.00 0.00 C ATOM 648 O SER A 39 9.749 5.454 -1.306 1.00 0.00 O ATOM 649 CB SER A 39 11.455 6.777 1.097 1.00 0.00 C ATOM 650 OG SER A 39 11.781 7.976 1.790 1.00 0.00 O ATOM 0 H SER A 39 9.625 7.140 2.691 1.00 0.00 H new ATOM 0 HA SER A 39 9.843 7.657 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.615 5.915 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.109 6.653 0.234 1.00 0.00 H new ATOM 0 HG SER A 39 12.716 7.942 2.081 1.00 0.00 H new ATOM 656 N GLN A 40 9.211 4.510 0.678 1.00 0.00 N ATOM 657 CA GLN A 40 8.859 3.212 0.088 1.00 0.00 C ATOM 658 C GLN A 40 7.428 3.206 -0.462 1.00 0.00 C ATOM 659 O GLN A 40 6.990 2.195 -1.002 1.00 0.00 O ATOM 660 CB GLN A 40 8.991 2.092 1.139 1.00 0.00 C ATOM 661 CG GLN A 40 10.383 2.113 1.788 1.00 0.00 C ATOM 662 CD GLN A 40 11.474 1.893 0.738 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.479 0.871 0.051 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.403 2.793 0.575 1.00 0.00 N ATOM 0 H GLN A 40 9.107 4.556 1.692 1.00 0.00 H new ATOM 0 HA GLN A 40 9.551 3.038 -0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.226 2.215 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.819 1.124 0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.541 3.068 2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.445 1.338 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.399 3.639 1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.134 2.651 -0.122 1.00 0.00 H new ATOM 673 N SER A 41 6.705 4.325 -0.312 1.00 0.00 N ATOM 674 CA SER A 41 5.310 4.425 -0.783 1.00 0.00 C ATOM 675 C SER A 41 5.106 3.768 -2.154 1.00 0.00 C ATOM 676 O SER A 41 4.242 2.898 -2.312 1.00 0.00 O ATOM 677 CB SER A 41 4.898 5.898 -0.864 1.00 0.00 C ATOM 678 OG SER A 41 5.842 6.616 -1.652 1.00 0.00 O ATOM 0 H SER A 41 7.059 5.173 0.130 1.00 0.00 H new ATOM 0 HA SER A 41 4.688 3.892 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.903 5.984 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.844 6.326 0.137 1.00 0.00 H new ATOM 0 HG SER A 41 6.549 6.970 -1.073 1.00 0.00 H new ATOM 684 N ALA A 42 5.907 4.186 -3.129 1.00 0.00 N ATOM 685 CA ALA A 42 5.817 3.637 -4.481 1.00 0.00 C ATOM 686 C ALA A 42 6.151 2.144 -4.487 1.00 0.00 C ATOM 687 O ALA A 42 5.531 1.363 -5.218 1.00 0.00 O ATOM 688 CB ALA A 42 6.792 4.376 -5.403 1.00 0.00 C ATOM 0 H ALA A 42 6.625 4.901 -3.011 1.00 0.00 H new ATOM 0 HA ALA A 42 4.795 3.769 -4.837 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.723 3.965 -6.410 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.539 5.436 -5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.809 4.254 -5.030 1.00 0.00 H new ATOM 694 N ASN A 43 7.143 1.763 -3.678 1.00 0.00 N ATOM 695 CA ASN A 43 7.576 0.366 -3.601 1.00 0.00 C ATOM 696 C ASN A 43 6.508 -0.523 -2.970 1.00 0.00 C ATOM 697 O ASN A 43 6.174 -1.569 -3.519 1.00 0.00 O ATOM 698 CB ASN A 43 8.862 0.246 -2.771 1.00 0.00 C ATOM 699 CG ASN A 43 10.015 1.033 -3.395 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.933 1.493 -4.536 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.103 1.200 -2.701 1.00 0.00 N ATOM 0 H ASN A 43 7.659 2.399 -3.070 1.00 0.00 H new ATOM 0 HA ASN A 43 7.755 0.033 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.678 0.611 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.143 -0.804 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.889 1.712 -3.101 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.169 0.819 -1.757 1.00 0.00 H new ATOM 708 N LEU A 44 5.988 -0.109 -1.806 1.00 0.00 N ATOM 709 CA LEU A 44 4.971 -0.891 -1.091 1.00 0.00 C ATOM 710 C LEU A 44 3.747 -1.142 -1.973 1.00 0.00 C ATOM 711 O LEU A 44 3.190 -2.242 -1.974 1.00 0.00 O ATOM 712 CB LEU A 44 4.517 -0.156 0.174 1.00 0.00 C ATOM 713 CG LEU A 44 5.693 0.127 1.152 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.130 0.541 2.518 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.590 -1.112 1.332 1.00 0.00 C ATOM 0 H LEU A 44 6.254 0.759 -1.342 1.00 0.00 H new ATOM 0 HA LEU A 44 5.426 -1.845 -0.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.047 0.787 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.759 -0.751 0.684 1.00 0.00 H new ATOM 0 HG LEU A 44 6.298 0.929 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.952 0.740 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.526 1.441 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.511 -0.264 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.401 -0.877 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.998 -1.934 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.007 -1.403 0.368 1.00 0.00 H new ATOM 727 N LEU A 45 3.346 -0.114 -2.726 1.00 0.00 N ATOM 728 CA LEU A 45 2.199 -0.225 -3.629 1.00 0.00 C ATOM 729 C LEU A 45 2.474 -1.299 -4.684 1.00 0.00 C ATOM 730 O LEU A 45 1.666 -2.210 -4.886 1.00 0.00 O ATOM 731 CB LEU A 45 1.961 1.138 -4.291 1.00 0.00 C ATOM 732 CG LEU A 45 0.863 1.048 -5.372 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.473 0.644 -4.732 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.708 2.414 -6.060 1.00 0.00 C ATOM 0 H LEU A 45 3.797 0.801 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 45 1.308 -0.515 -3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.672 1.867 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.888 1.495 -4.739 1.00 0.00 H new ATOM 0 HG LEU A 45 1.148 0.296 -6.108 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.242 0.583 -5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.366 -0.327 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.761 1.389 -3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.067 2.351 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.429 3.164 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.653 2.697 -6.525 1.00 0.00 H new ATOM 746 N ALA A 46 3.642 -1.192 -5.320 1.00 0.00 N ATOM 747 CA ALA A 46 4.057 -2.171 -6.333 1.00 0.00 C ATOM 748 C ALA A 46 4.169 -3.557 -5.699 1.00 0.00 C ATOM 749 O ALA A 46 3.784 -4.562 -6.298 1.00 0.00 O ATOM 750 CB ALA A 46 5.411 -1.776 -6.924 1.00 0.00 C ATOM 0 H ALA A 46 4.315 -0.444 -5.155 1.00 0.00 H new ATOM 0 HA ALA A 46 3.310 -2.191 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.709 -2.509 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.332 -0.793 -7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.159 -1.744 -6.131 1.00 0.00 H new ATOM 756 N GLU A 47 4.686 -3.583 -4.467 1.00 0.00 N ATOM 757 CA GLU A 47 4.832 -4.823 -3.718 1.00 0.00 C ATOM 758 C GLU A 47 3.455 -5.441 -3.477 1.00 0.00 C ATOM 759 O GLU A 47 3.298 -6.664 -3.535 1.00 0.00 O ATOM 760 CB GLU A 47 5.536 -4.533 -2.386 1.00 0.00 C ATOM 761 CG GLU A 47 7.047 -4.337 -2.619 1.00 0.00 C ATOM 762 CD GLU A 47 7.714 -5.667 -2.997 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.646 -6.596 -2.206 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.286 -5.740 -4.074 1.00 0.00 O ATOM 0 H GLU A 47 5.010 -2.753 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 47 5.435 -5.531 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.112 -3.640 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.371 -5.356 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.206 -3.606 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.510 -3.935 -1.718 1.00 0.00 H new ATOM 771 N ALA A 48 2.453 -4.582 -3.244 1.00 0.00 N ATOM 772 CA ALA A 48 1.087 -5.057 -3.044 1.00 0.00 C ATOM 773 C ALA A 48 0.594 -5.687 -4.344 1.00 0.00 C ATOM 774 O ALA A 48 -0.061 -6.731 -4.337 1.00 0.00 O ATOM 775 CB ALA A 48 0.169 -3.900 -2.635 1.00 0.00 C ATOM 0 H ALA A 48 2.565 -3.570 -3.191 1.00 0.00 H new ATOM 0 HA ALA A 48 1.072 -5.797 -2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.845 -4.273 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.530 -3.461 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.168 -3.142 -3.418 1.00 0.00 H new ATOM 781 N LYS A 49 0.954 -5.050 -5.462 1.00 0.00 N ATOM 782 CA LYS A 49 0.593 -5.555 -6.784 1.00 0.00 C ATOM 783 C LYS A 49 1.260 -6.910 -7.015 1.00 0.00 C ATOM 784 O LYS A 49 0.656 -7.823 -7.585 1.00 0.00 O ATOM 785 CB LYS A 49 1.042 -4.553 -7.868 1.00 0.00 C ATOM 786 CG LYS A 49 -0.099 -3.588 -8.201 1.00 0.00 C ATOM 787 CD LYS A 49 -1.071 -4.263 -9.177 1.00 0.00 C ATOM 788 CE LYS A 49 -2.418 -3.535 -9.151 1.00 0.00 C ATOM 789 NZ LYS A 49 -2.255 -2.159 -9.706 1.00 0.00 N ATOM 0 H LYS A 49 1.494 -4.185 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.489 -5.675 -6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.911 -3.994 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.348 -5.090 -8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.623 -3.300 -7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.300 -2.674 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.658 -4.248 -10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.207 -5.310 -8.904 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.153 -4.089 -9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.795 -3.484 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.472 -1.459 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.275 -2.029 -10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.905 -2.029 -10.508 1.00 0.00 H new ATOM 803 N LYS A 50 2.514 -7.021 -6.562 1.00 0.00 N ATOM 804 CA LYS A 50 3.283 -8.254 -6.709 1.00 0.00 C ATOM 805 C LYS A 50 2.608 -9.406 -5.965 1.00 0.00 C ATOM 806 O LYS A 50 2.367 -10.471 -6.540 1.00 0.00 O ATOM 807 CB LYS A 50 4.690 -8.029 -6.147 1.00 0.00 C ATOM 808 CG LYS A 50 5.593 -9.227 -6.478 1.00 0.00 C ATOM 809 CD LYS A 50 7.036 -8.919 -6.050 1.00 0.00 C ATOM 810 CE LYS A 50 7.185 -9.066 -4.529 1.00 0.00 C ATOM 811 NZ LYS A 50 8.559 -8.651 -4.123 1.00 0.00 N ATOM 0 H LYS A 50 3.015 -6.268 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 50 3.338 -8.517 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.115 -7.117 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.640 -7.890 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.233 -10.119 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.557 -9.438 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.725 -9.595 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.304 -7.906 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.442 -8.453 -4.019 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.003 -10.099 -4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.713 -8.892 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.259 -9.147 -4.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.664 -7.624 -4.252 1.00 0.00 H new ATOM 825 N LEU A 51 2.300 -9.175 -4.685 1.00 0.00 N ATOM 826 CA LEU A 51 1.644 -10.189 -3.859 1.00 0.00 C ATOM 827 C LEU A 51 0.238 -10.477 -4.384 1.00 0.00 C ATOM 828 O LEU A 51 -0.208 -11.625 -4.365 1.00 0.00 O ATOM 829 CB LEU A 51 1.601 -9.731 -2.396 1.00 0.00 C ATOM 830 CG LEU A 51 3.023 -9.732 -1.804 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.994 -9.118 -0.400 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.560 -11.172 -1.720 1.00 0.00 C ATOM 0 H LEU A 51 2.494 -8.298 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 51 2.219 -11.113 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.172 -8.731 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.956 -10.393 -1.818 1.00 0.00 H new ATOM 0 HG LEU A 51 3.676 -9.144 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.000 -9.119 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.626 -8.094 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.334 -9.704 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.566 -11.161 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.907 -11.767 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.588 -11.609 -2.718 1.00 0.00 H new ATOM 844 N ASN A 52 -0.448 -9.432 -4.879 1.00 0.00 N ATOM 845 CA ASN A 52 -1.798 -9.591 -5.446 1.00 0.00 C ATOM 846 C ASN A 52 -1.737 -10.541 -6.642 1.00 0.00 C ATOM 847 O ASN A 52 -2.515 -11.493 -6.740 1.00 0.00 O ATOM 848 CB ASN A 52 -2.344 -8.212 -5.886 1.00 0.00 C ATOM 849 CG ASN A 52 -3.347 -8.331 -7.048 1.00 0.00 C ATOM 850 OD1 ASN A 52 -4.622 -8.443 -6.799 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -2.950 -8.318 -8.213 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.093 -8.476 -4.898 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.465 -10.009 -4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.828 -7.727 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.514 -7.573 -6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.953 -8.230 -8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.618 -8.395 -8.980 1.00 0.00 H new ATOM 858 N ASP A 53 -0.789 -10.270 -7.535 1.00 0.00 N ATOM 859 CA ASP A 53 -0.605 -11.097 -8.720 1.00 0.00 C ATOM 860 C ASP A 53 -0.197 -12.515 -8.331 1.00 0.00 C ATOM 861 O ASP A 53 -0.589 -13.482 -8.992 1.00 0.00 O ATOM 862 CB ASP A 53 0.472 -10.471 -9.617 1.00 0.00 C ATOM 863 CG ASP A 53 0.609 -11.251 -10.930 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.165 -10.989 -11.837 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.484 -12.100 -11.006 1.00 0.00 O ATOM 0 H ASP A 53 -0.140 -9.487 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.549 -11.149 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.216 -9.433 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.428 -10.462 -9.093 1.00 0.00 H new ATOM 870 N ALA A 54 0.623 -12.626 -7.283 1.00 0.00 N ATOM 871 CA ALA A 54 1.118 -13.927 -6.843 1.00 0.00 C ATOM 872 C ALA A 54 0.043 -14.761 -6.131 1.00 0.00 C ATOM 873 O ALA A 54 -0.172 -15.923 -6.487 1.00 0.00 O ATOM 874 CB ALA A 54 2.317 -13.735 -5.909 1.00 0.00 C ATOM 0 H ALA A 54 0.954 -11.836 -6.729 1.00 0.00 H new ATOM 0 HA ALA A 54 1.415 -14.475 -7.737 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.684 -14.708 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.110 -13.207 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.012 -13.152 -5.040 1.00 0.00 H new ATOM 880 N GLN A 55 -0.615 -14.178 -5.116 1.00 0.00 N ATOM 881 CA GLN A 55 -1.647 -14.905 -4.361 1.00 0.00 C ATOM 882 C GLN A 55 -2.888 -15.178 -5.217 1.00 0.00 C ATOM 883 O GLN A 55 -3.622 -16.135 -4.954 1.00 0.00 O ATOM 884 CB GLN A 55 -2.034 -14.139 -3.083 1.00 0.00 C ATOM 885 CG GLN A 55 -0.829 -14.076 -2.134 1.00 0.00 C ATOM 886 CD GLN A 55 -1.016 -12.921 -1.161 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.193 -11.722 -1.636 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -1.002 -13.115 0.054 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.454 -13.221 -4.803 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.222 -15.867 -4.075 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.363 -13.131 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.872 -14.633 -2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.732 -15.014 -1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.091 -13.942 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.863 -14.057 0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.130 -12.333 0.697 1.00 0.00 H new ATOM 897 N ALA A 56 -3.120 -14.336 -6.235 1.00 0.00 N ATOM 898 CA ALA A 56 -4.280 -14.497 -7.122 1.00 0.00 C ATOM 899 C ALA A 56 -4.292 -15.893 -7.770 1.00 0.00 C ATOM 900 O ALA A 56 -3.232 -16.481 -8.000 1.00 0.00 O ATOM 901 CB ALA A 56 -4.253 -13.426 -8.219 1.00 0.00 C ATOM 0 H ALA A 56 -2.523 -13.541 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.182 -14.385 -6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.116 -13.552 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.285 -12.437 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.338 -13.526 -8.803 1.00 0.00 H new ATOM 907 N PRO A 57 -5.467 -16.431 -8.064 1.00 0.00 N ATOM 908 CA PRO A 57 -5.605 -17.783 -8.693 1.00 0.00 C ATOM 909 C PRO A 57 -5.150 -17.792 -10.156 1.00 0.00 C ATOM 910 O PRO A 57 -5.165 -16.756 -10.825 1.00 0.00 O ATOM 911 CB PRO A 57 -7.101 -18.095 -8.574 1.00 0.00 C ATOM 912 CG PRO A 57 -7.778 -16.767 -8.498 1.00 0.00 C ATOM 913 CD PRO A 57 -6.788 -15.807 -7.838 1.00 0.00 C ATOM 0 HA PRO A 57 -4.976 -18.526 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.453 -18.667 -9.433 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.308 -18.693 -7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.054 -16.416 -9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.698 -16.834 -7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.840 -14.814 -8.284 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.996 -15.690 -6.774 1.00 0.00 H new ATOM 921 N LYS A 58 -4.747 -18.977 -10.628 1.00 0.00 N ATOM 922 CA LYS A 58 -4.279 -19.163 -12.015 1.00 0.00 C ATOM 923 C LYS A 58 -3.003 -18.344 -12.306 1.00 0.00 C ATOM 924 O LYS A 58 -2.476 -17.728 -11.389 1.00 0.00 O ATOM 925 CB LYS A 58 -5.396 -18.782 -13.012 1.00 0.00 C ATOM 926 CG LYS A 58 -6.654 -19.628 -12.743 1.00 0.00 C ATOM 927 CD LYS A 58 -7.697 -19.392 -13.849 1.00 0.00 C ATOM 928 CE LYS A 58 -8.153 -17.923 -13.848 1.00 0.00 C ATOM 929 NZ LYS A 58 -7.396 -17.164 -14.888 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.558 -18.360 -13.446 1.00 0.00 O ATOM 0 H LYS A 58 -4.734 -19.830 -10.069 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.030 -20.217 -12.139 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.633 -17.722 -12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.052 -18.941 -14.034 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.389 -20.685 -12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.076 -19.367 -11.773 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.272 -19.647 -14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.555 -20.046 -13.695 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.223 -17.864 -14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.986 -17.480 -12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.103 -16.244 -14.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.554 -17.706 -15.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.004 -17.013 -15.718 1.00 0.00 H new