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 39 SER OG : rot 180:sc= 0.862 USER MOD Set 1.2: A 40 GLN : amide:sc= 1.46 K(o=2.8,f=0.056) USER MOD Set 1.3: A 43 ASN : amide:sc= 0.495 K(o=2.8,f=0.68) USER MOD Set 2.1: A 26 GLN :FLIP amide:sc= -5.68! C(o=-11!,f=-6.4!) USER MOD Set 2.2: A 55 GLN :FLIP amide:sc= -0.741 F(o=-9.3!,f=-6.4) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.272 K(o=-0.51,f=-5.6!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.24 F(o=-3.3!,f=-0.51) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 167:sc= -0.139 (180deg=-0.743) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.392 K(o=0.39,f=-3.1!) USER MOD Single : A 24 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.012) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.79 (180deg=1.31) USER MOD Single : A 33 SER OG : rot -20:sc= 0.748 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 95:sc= 0.655 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0.685 (180deg=0.671) USER MOD Single : A 58 LYS NZ :NH3+ -129:sc= 1.2 (180deg=0.319) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 1.926 -10.448 -9.601 1.00 0.00 N ATOM 100 CA LYS A 7 1.190 -11.472 -8.848 1.00 0.00 C ATOM 101 C LYS A 7 1.513 -11.407 -7.351 1.00 0.00 C ATOM 102 O LYS A 7 0.631 -11.610 -6.513 1.00 0.00 O ATOM 103 CB LYS A 7 1.532 -12.873 -9.384 1.00 0.00 C ATOM 104 CG LYS A 7 0.742 -13.163 -10.674 1.00 0.00 C ATOM 105 CD LYS A 7 1.369 -12.424 -11.868 1.00 0.00 C ATOM 106 CE LYS A 7 0.638 -12.813 -13.156 1.00 0.00 C ATOM 107 NZ LYS A 7 1.297 -12.154 -14.321 1.00 0.00 N ATOM 0 HA LYS A 7 0.126 -11.277 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.602 -12.942 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.298 -13.625 -8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.732 -14.236 -10.868 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.295 -12.851 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.307 -11.347 -11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.427 -12.675 -11.949 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.652 -13.896 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.408 -12.512 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.801 -12.418 -15.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.262 -11.122 -14.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.289 -12.462 -14.379 1.00 0.00 H new ATOM 121 N GLU A 8 2.778 -11.131 -7.026 1.00 0.00 N ATOM 122 CA GLU A 8 3.216 -11.048 -5.626 1.00 0.00 C ATOM 123 C GLU A 8 2.543 -9.876 -4.903 1.00 0.00 C ATOM 124 O GLU A 8 2.333 -9.928 -3.687 1.00 0.00 O ATOM 125 CB GLU A 8 4.743 -10.884 -5.562 1.00 0.00 C ATOM 126 CG GLU A 8 5.433 -12.146 -6.122 1.00 0.00 C ATOM 127 CD GLU A 8 6.967 -12.059 -6.000 1.00 0.00 C ATOM 128 OE1 GLU A 8 7.495 -10.959 -5.898 1.00 0.00 O ATOM 129 OE2 GLU A 8 7.596 -13.106 -6.029 1.00 0.00 O ATOM 0 H GLU A 8 3.517 -10.961 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 8 2.925 -11.973 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.047 -10.008 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.056 -10.715 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.075 -13.025 -5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.158 -12.277 -7.169 1.00 0.00 H new ATOM 136 N MET A 9 2.229 -8.820 -5.659 1.00 0.00 N ATOM 137 CA MET A 9 1.599 -7.616 -5.103 1.00 0.00 C ATOM 138 C MET A 9 0.289 -7.945 -4.393 1.00 0.00 C ATOM 139 O MET A 9 -0.114 -7.227 -3.475 1.00 0.00 O ATOM 140 CB MET A 9 1.344 -6.591 -6.213 1.00 0.00 C ATOM 141 CG MET A 9 2.680 -6.194 -6.843 1.00 0.00 C ATOM 142 SD MET A 9 2.403 -5.035 -8.199 1.00 0.00 S ATOM 143 CE MET A 9 4.135 -4.916 -8.701 1.00 0.00 C ATOM 0 H MET A 9 2.401 -8.774 -6.663 1.00 0.00 H new ATOM 0 HA MET A 9 2.285 -7.194 -4.369 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.682 -7.012 -6.969 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.844 -5.712 -5.806 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.325 -5.739 -6.091 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.196 -7.081 -7.211 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.199 -4.430 -9.674 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.687 -4.331 -7.966 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.565 -5.916 -8.766 1.00 0.00 H new ATOM 153 N ARG A 10 -0.369 -9.032 -4.819 1.00 0.00 N ATOM 154 CA ARG A 10 -1.636 -9.452 -4.210 1.00 0.00 C ATOM 155 C ARG A 10 -1.489 -9.570 -2.690 1.00 0.00 C ATOM 156 O ARG A 10 -2.439 -9.316 -1.948 1.00 0.00 O ATOM 157 CB ARG A 10 -2.081 -10.800 -4.790 1.00 0.00 C ATOM 158 CG ARG A 10 -2.424 -10.644 -6.281 1.00 0.00 C ATOM 159 CD ARG A 10 -2.927 -11.981 -6.842 1.00 0.00 C ATOM 160 NE ARG A 10 -3.063 -11.899 -8.299 1.00 0.00 N ATOM 161 CZ ARG A 10 -3.478 -12.937 -9.032 1.00 0.00 C ATOM 162 NH1 ARG A 10 -3.782 -14.074 -8.468 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.579 -12.812 -10.324 1.00 0.00 N ATOM 0 H ARG A 10 -0.047 -9.632 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.390 -8.697 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.288 -11.538 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.949 -11.171 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.186 -9.876 -6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.544 -10.316 -6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.232 -12.779 -6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.888 -12.234 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.834 -11.023 -8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.704 -14.178 -7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.097 -14.858 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.342 -11.926 -10.771 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.895 -13.600 -10.889 1.00 0.00 H new ATOM 177 N ASN A 11 -0.286 -9.947 -2.244 1.00 0.00 N ATOM 178 CA ASN A 11 -0.002 -10.083 -0.814 1.00 0.00 C ATOM 179 C ASN A 11 -0.162 -8.737 -0.099 1.00 0.00 C ATOM 180 O ASN A 11 -0.643 -8.686 1.036 1.00 0.00 O ATOM 181 CB ASN A 11 1.425 -10.609 -0.614 1.00 0.00 C ATOM 182 CG ASN A 11 1.642 -11.000 0.846 1.00 0.00 C ATOM 183 OD1 ASN A 11 0.970 -11.897 1.355 1.00 0.00 O ATOM 184 ND2 ASN A 11 2.545 -10.380 1.554 1.00 0.00 N ATOM 0 H ASN A 11 0.504 -10.163 -2.852 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.713 -10.790 -0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.596 -11.471 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.146 -9.845 -0.905 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.694 -10.638 2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.102 -9.637 1.132 1.00 0.00 H new ATOM 191 N ALA A 12 0.253 -7.654 -0.777 1.00 0.00 N ATOM 192 CA ALA A 12 0.168 -6.297 -0.220 1.00 0.00 C ATOM 193 C ALA A 12 -0.573 -5.361 -1.185 1.00 0.00 C ATOM 194 O ALA A 12 0.034 -4.770 -2.085 1.00 0.00 O ATOM 195 CB ALA A 12 1.583 -5.752 0.053 1.00 0.00 C ATOM 0 H ALA A 12 0.652 -7.694 -1.715 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.388 -6.342 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.512 -4.746 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.092 -6.401 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.148 -5.723 -0.879 1.00 0.00 H new ATOM 201 N TYR A 13 -1.891 -5.229 -0.986 1.00 0.00 N ATOM 202 CA TYR A 13 -2.711 -4.360 -1.834 1.00 0.00 C ATOM 203 C TYR A 13 -3.962 -3.891 -1.075 1.00 0.00 C ATOM 204 O TYR A 13 -3.967 -2.793 -0.510 1.00 0.00 O ATOM 205 CB TYR A 13 -3.095 -5.101 -3.129 1.00 0.00 C ATOM 206 CG TYR A 13 -3.704 -4.125 -4.120 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.875 -3.408 -4.994 1.00 0.00 C ATOM 208 CD2 TYR A 13 -5.092 -3.939 -4.167 1.00 0.00 C ATOM 209 CE1 TYR A 13 -3.433 -2.509 -5.910 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.649 -3.039 -5.084 1.00 0.00 C ATOM 211 CZ TYR A 13 -4.819 -2.325 -5.955 1.00 0.00 C ATOM 212 OH TYR A 13 -5.369 -1.439 -6.860 1.00 0.00 O ATOM 0 H TYR A 13 -2.408 -5.710 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.132 -3.476 -2.101 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.214 -5.572 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.805 -5.897 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.805 -3.549 -4.960 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.733 -4.490 -3.495 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.793 -1.957 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.719 -2.896 -5.119 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.344 -1.432 -6.760 1.00 0.00 H new ATOM 222 N TRP A 14 -5.012 -4.727 -1.055 1.00 0.00 N ATOM 223 CA TRP A 14 -6.258 -4.384 -0.357 1.00 0.00 C ATOM 224 C TRP A 14 -6.001 -4.159 1.135 1.00 0.00 C ATOM 225 O TRP A 14 -6.709 -3.381 1.781 1.00 0.00 O ATOM 226 CB TRP A 14 -7.296 -5.504 -0.521 1.00 0.00 C ATOM 227 CG TRP A 14 -7.655 -5.677 -1.968 1.00 0.00 C ATOM 228 CD1 TRP A 14 -8.453 -4.844 -2.678 1.00 0.00 C ATOM 229 CD2 TRP A 14 -7.248 -6.734 -2.886 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.559 -5.322 -3.972 1.00 0.00 N ATOM 231 CE2 TRP A 14 -7.834 -6.484 -4.149 1.00 0.00 C ATOM 232 CE3 TRP A 14 -6.434 -7.873 -2.746 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -7.622 -7.334 -5.236 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -6.218 -8.731 -3.837 1.00 0.00 C ATOM 235 CH2 TRP A 14 -6.811 -8.462 -5.079 1.00 0.00 C ATOM 0 H TRP A 14 -5.022 -5.639 -1.511 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.642 -3.465 -0.800 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -6.898 -6.438 -0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.190 -5.267 0.056 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.929 -3.953 -2.296 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -9.106 -4.871 -4.706 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.972 -8.089 -1.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.081 -7.122 -6.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -5.592 -9.603 -3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -6.641 -9.126 -5.914 1.00 0.00 H new ATOM 246 N GLU A 15 -4.990 -4.854 1.673 1.00 0.00 N ATOM 247 CA GLU A 15 -4.641 -4.744 3.093 1.00 0.00 C ATOM 248 C GLU A 15 -4.335 -3.297 3.477 1.00 0.00 C ATOM 249 O GLU A 15 -4.631 -2.877 4.596 1.00 0.00 O ATOM 250 CB GLU A 15 -3.416 -5.615 3.407 1.00 0.00 C ATOM 251 CG GLU A 15 -3.738 -7.108 3.193 1.00 0.00 C ATOM 252 CD GLU A 15 -4.901 -7.562 4.088 1.00 0.00 C ATOM 253 OE1 GLU A 15 -4.798 -7.404 5.297 1.00 0.00 O ATOM 254 OE2 GLU A 15 -5.872 -8.074 3.552 1.00 0.00 O ATOM 0 H GLU A 15 -4.400 -5.498 1.145 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.499 -5.088 3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.583 -5.323 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.101 -5.450 4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.992 -7.281 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.854 -7.708 3.410 1.00 0.00 H new ATOM 261 N ILE A 16 -3.744 -2.545 2.545 1.00 0.00 N ATOM 262 CA ILE A 16 -3.412 -1.142 2.803 1.00 0.00 C ATOM 263 C ILE A 16 -4.697 -0.323 2.951 1.00 0.00 C ATOM 264 O ILE A 16 -4.802 0.531 3.836 1.00 0.00 O ATOM 265 CB ILE A 16 -2.550 -0.575 1.658 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.251 -1.399 1.532 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.204 0.900 1.945 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.465 -0.965 0.288 1.00 0.00 C ATOM 0 H ILE A 16 -3.488 -2.879 1.616 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.841 -1.080 3.729 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.109 -0.635 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.638 -1.264 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.490 -2.460 1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.595 1.296 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.123 1.480 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.649 0.968 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.449 -1.554 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.075 -1.124 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.210 0.092 0.369 1.00 0.00 H new ATOM 280 N ALA A 17 -5.667 -0.596 2.073 1.00 0.00 N ATOM 281 CA ALA A 17 -6.950 0.110 2.095 1.00 0.00 C ATOM 282 C ALA A 17 -7.744 -0.226 3.363 1.00 0.00 C ATOM 283 O ALA A 17 -8.534 0.593 3.841 1.00 0.00 O ATOM 284 CB ALA A 17 -7.773 -0.271 0.858 1.00 0.00 C ATOM 0 H ALA A 17 -5.588 -1.300 1.339 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.749 1.181 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.727 0.257 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.225 0.005 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.953 -1.346 0.858 1.00 0.00 H new ATOM 290 N LEU A 18 -7.537 -1.444 3.884 1.00 0.00 N ATOM 291 CA LEU A 18 -8.242 -1.907 5.085 1.00 0.00 C ATOM 292 C LEU A 18 -7.984 -0.984 6.280 1.00 0.00 C ATOM 293 O LEU A 18 -8.890 -0.743 7.085 1.00 0.00 O ATOM 294 CB LEU A 18 -7.799 -3.340 5.427 1.00 0.00 C ATOM 295 CG LEU A 18 -8.647 -3.912 6.583 1.00 0.00 C ATOM 296 CD1 LEU A 18 -10.090 -4.157 6.111 1.00 0.00 C ATOM 297 CD2 LEU A 18 -8.035 -5.238 7.057 1.00 0.00 C ATOM 0 H LEU A 18 -6.887 -2.125 3.492 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.311 -1.892 4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.898 -3.976 4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.745 -3.343 5.706 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.658 -3.195 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.679 -4.560 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.529 -3.216 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.087 -4.868 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.633 -5.643 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.021 -5.948 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.016 -5.065 7.404 1.00 0.00 H new ATOM 309 N LEU A 19 -6.750 -0.471 6.391 1.00 0.00 N ATOM 310 CA LEU A 19 -6.389 0.425 7.497 1.00 0.00 C ATOM 311 C LEU A 19 -7.282 1.684 7.461 1.00 0.00 C ATOM 312 O LEU A 19 -7.330 2.382 6.446 1.00 0.00 O ATOM 313 CB LEU A 19 -4.899 0.803 7.383 1.00 0.00 C ATOM 314 CG LEU A 19 -3.999 -0.176 8.184 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.490 -1.630 8.064 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.558 -0.098 7.653 1.00 0.00 C ATOM 0 H LEU A 19 -5.992 -0.659 5.735 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.549 -0.080 8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.601 0.798 6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.751 1.818 7.751 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.042 0.118 9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.834 -2.284 8.638 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.506 -1.704 8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.478 -1.933 7.017 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.925 -0.785 8.215 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.544 -0.372 6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.182 0.918 7.769 1.00 0.00 H new ATOM 328 N PRO A 20 -8.022 1.948 8.531 1.00 0.00 N ATOM 329 CA PRO A 20 -8.982 3.103 8.617 1.00 0.00 C ATOM 330 C PRO A 20 -8.391 4.446 9.080 1.00 0.00 C ATOM 331 O PRO A 20 -9.011 5.489 8.853 1.00 0.00 O ATOM 332 CB PRO A 20 -9.976 2.597 9.661 1.00 0.00 C ATOM 333 CG PRO A 20 -9.127 1.837 10.626 1.00 0.00 C ATOM 334 CD PRO A 20 -8.037 1.168 9.791 1.00 0.00 C ATOM 0 HA PRO A 20 -9.378 3.344 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.496 3.421 10.149 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.738 1.960 9.212 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.693 2.502 11.373 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.717 1.095 11.164 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.071 1.203 10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.263 0.118 9.608 1.00 0.00 H new ATOM 342 N ASN A 21 -7.241 4.427 9.762 1.00 0.00 N ATOM 343 CA ASN A 21 -6.651 5.667 10.284 1.00 0.00 C ATOM 344 C ASN A 21 -5.696 6.340 9.295 1.00 0.00 C ATOM 345 O ASN A 21 -5.176 7.421 9.585 1.00 0.00 O ATOM 346 CB ASN A 21 -5.931 5.375 11.608 1.00 0.00 C ATOM 347 CG ASN A 21 -4.826 4.344 11.413 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.578 3.884 10.293 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.151 3.942 12.450 1.00 0.00 N ATOM 0 H ASN A 21 -6.706 3.582 9.964 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.468 6.370 10.448 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.507 6.297 12.006 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.648 5.010 12.343 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.414 3.245 12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.358 4.324 13.373 1.00 0.00 H new ATOM 356 N LEU A 22 -5.485 5.729 8.122 1.00 0.00 N ATOM 357 CA LEU A 22 -4.605 6.342 7.121 1.00 0.00 C ATOM 358 C LEU A 22 -5.324 7.507 6.459 1.00 0.00 C ATOM 359 O LEU A 22 -6.470 7.367 6.021 1.00 0.00 O ATOM 360 CB LEU A 22 -4.198 5.359 6.011 1.00 0.00 C ATOM 361 CG LEU A 22 -3.490 4.127 6.575 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.548 3.003 5.531 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.020 4.455 6.859 1.00 0.00 C ATOM 0 H LEU A 22 -5.898 4.837 7.848 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.708 6.665 7.649 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.084 5.048 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.541 5.863 5.302 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.980 3.819 7.499 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.046 2.118 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.588 2.763 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.051 3.329 4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.521 3.573 7.261 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.530 4.759 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.962 5.266 7.584 1.00 0.00 H new ATOM 375 N ASN A 23 -4.638 8.645 6.371 1.00 0.00 N ATOM 376 CA ASN A 23 -5.214 9.838 5.733 1.00 0.00 C ATOM 377 C ASN A 23 -5.697 9.497 4.314 1.00 0.00 C ATOM 378 O ASN A 23 -5.132 8.615 3.655 1.00 0.00 O ATOM 379 CB ASN A 23 -4.172 10.965 5.673 1.00 0.00 C ATOM 380 CG ASN A 23 -4.807 12.245 5.126 1.00 0.00 C ATOM 381 OD1 ASN A 23 -4.680 12.545 3.938 1.00 0.00 O ATOM 382 ND2 ASN A 23 -5.485 13.019 5.927 1.00 0.00 N ATOM 0 H ASN A 23 -3.691 8.771 6.728 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.064 10.175 6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.767 11.148 6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.338 10.665 5.039 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.911 13.874 5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.589 12.769 6.910 1.00 0.00 H new ATOM 389 N ASN A 24 -6.757 10.182 3.866 1.00 0.00 N ATOM 390 CA ASN A 24 -7.341 9.936 2.538 1.00 0.00 C ATOM 391 C ASN A 24 -6.279 9.983 1.433 1.00 0.00 C ATOM 392 O ASN A 24 -6.296 9.156 0.515 1.00 0.00 O ATOM 393 CB ASN A 24 -8.427 10.981 2.243 1.00 0.00 C ATOM 394 CG ASN A 24 -9.577 10.848 3.242 1.00 0.00 C ATOM 395 OD1 ASN A 24 -9.838 11.769 4.017 1.00 0.00 O ATOM 396 ND2 ASN A 24 -10.285 9.754 3.267 1.00 0.00 N ATOM 0 H ASN A 24 -7.228 10.911 4.402 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.776 8.937 2.550 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.002 11.983 2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.801 10.850 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.056 9.660 3.929 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.068 8.992 2.625 1.00 0.00 H new ATOM 403 N GLN A 25 -5.360 10.945 1.531 1.00 0.00 N ATOM 404 CA GLN A 25 -4.294 11.085 0.536 1.00 0.00 C ATOM 405 C GLN A 25 -3.335 9.893 0.589 1.00 0.00 C ATOM 406 O GLN A 25 -2.898 9.395 -0.450 1.00 0.00 O ATOM 407 CB GLN A 25 -3.509 12.384 0.780 1.00 0.00 C ATOM 408 CG GLN A 25 -4.417 13.600 0.532 1.00 0.00 C ATOM 409 CD GLN A 25 -3.666 14.908 0.806 1.00 0.00 C ATOM 410 OE1 GLN A 25 -2.744 14.948 1.624 1.00 0.00 O ATOM 411 NE2 GLN A 25 -4.011 15.991 0.164 1.00 0.00 N ATOM 0 H GLN A 25 -5.331 11.634 2.283 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.757 11.118 -0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.131 12.404 1.802 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.643 12.425 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.773 13.589 -0.498 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.296 13.539 1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.773 15.961 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.518 16.867 0.340 1.00 0.00 H new ATOM 420 N GLN A 26 -3.006 9.457 1.808 1.00 0.00 N ATOM 421 CA GLN A 26 -2.081 8.335 2.007 1.00 0.00 C ATOM 422 C GLN A 26 -2.634 7.031 1.423 1.00 0.00 C ATOM 423 O GLN A 26 -1.885 6.255 0.819 1.00 0.00 O ATOM 424 CB GLN A 26 -1.799 8.157 3.506 1.00 0.00 C ATOM 425 CG GLN A 26 -1.034 9.383 4.038 1.00 0.00 C ATOM 426 CD GLN A 26 -0.787 9.263 5.544 1.00 0.00 C ATOM 427 OE1 GLN A 26 -1.671 8.680 6.309 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 0.242 9.723 6.040 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.365 9.863 2.672 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.155 8.567 1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.736 8.036 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.215 7.252 3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.082 9.477 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.602 10.289 3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.935 10.179 5.446 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.402 9.648 7.045 1.00 0.00 H new ATOM 437 N LYS A 27 -3.940 6.790 1.610 1.00 0.00 N ATOM 438 CA LYS A 27 -4.566 5.566 1.093 1.00 0.00 C ATOM 439 C LYS A 27 -4.427 5.493 -0.426 1.00 0.00 C ATOM 440 O LYS A 27 -3.886 4.522 -0.964 1.00 0.00 O ATOM 441 CB LYS A 27 -6.056 5.531 1.464 1.00 0.00 C ATOM 442 CG LYS A 27 -6.220 5.386 2.984 1.00 0.00 C ATOM 443 CD LYS A 27 -7.712 5.431 3.348 1.00 0.00 C ATOM 444 CE LYS A 27 -8.395 4.096 2.995 1.00 0.00 C ATOM 445 NZ LYS A 27 -8.735 3.358 4.247 1.00 0.00 N ATOM 0 H LYS A 27 -4.574 7.416 2.107 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.059 4.712 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.545 6.444 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.545 4.699 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.782 4.446 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.686 6.187 3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.826 5.634 4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.198 6.247 2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.298 4.281 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.734 3.492 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.873 2.350 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.959 3.461 4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.610 3.748 4.653 1.00 0.00 H new ATOM 459 N ARG A 28 -4.917 6.533 -1.103 1.00 0.00 N ATOM 460 CA ARG A 28 -4.850 6.603 -2.565 1.00 0.00 C ATOM 461 C ARG A 28 -3.396 6.606 -3.039 1.00 0.00 C ATOM 462 O ARG A 28 -3.074 6.040 -4.089 1.00 0.00 O ATOM 463 CB ARG A 28 -5.551 7.875 -3.066 1.00 0.00 C ATOM 464 CG ARG A 28 -7.052 7.817 -2.732 1.00 0.00 C ATOM 465 CD ARG A 28 -7.765 9.037 -3.328 1.00 0.00 C ATOM 466 NE ARG A 28 -9.160 9.077 -2.879 1.00 0.00 N ATOM 467 CZ ARG A 28 -10.003 10.039 -3.266 1.00 0.00 C ATOM 468 NH1 ARG A 28 -9.609 10.990 -4.068 1.00 0.00 N ATOM 469 NH2 ARG A 28 -11.233 10.027 -2.838 1.00 0.00 N ATOM 0 H ARG A 28 -5.364 7.338 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.353 5.726 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.101 8.754 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.414 7.976 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.487 6.900 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.193 7.794 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.252 9.950 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.727 8.994 -4.416 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.498 8.347 -2.251 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.647 11.005 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.263 11.718 -4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.548 9.286 -2.211 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.882 10.758 -3.130 1.00 0.00 H new ATOM 483 N ALA A 29 -2.528 7.261 -2.260 1.00 0.00 N ATOM 484 CA ALA A 29 -1.109 7.358 -2.601 1.00 0.00 C ATOM 485 C ALA A 29 -0.448 5.978 -2.661 1.00 0.00 C ATOM 486 O ALA A 29 0.355 5.723 -3.561 1.00 0.00 O ATOM 487 CB ALA A 29 -0.383 8.235 -1.574 1.00 0.00 C ATOM 0 H ALA A 29 -2.785 7.730 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.035 7.811 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.673 8.302 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.821 9.233 -1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.484 7.794 -0.582 1.00 0.00 H new ATOM 493 N PHE A 30 -0.772 5.097 -1.703 1.00 0.00 N ATOM 494 CA PHE A 30 -0.173 3.756 -1.682 1.00 0.00 C ATOM 495 C PHE A 30 -0.534 2.956 -2.936 1.00 0.00 C ATOM 496 O PHE A 30 0.353 2.409 -3.605 1.00 0.00 O ATOM 497 CB PHE A 30 -0.620 2.983 -0.434 1.00 0.00 C ATOM 498 CG PHE A 30 0.249 3.372 0.745 1.00 0.00 C ATOM 499 CD1 PHE A 30 1.631 3.153 0.687 1.00 0.00 C ATOM 500 CD2 PHE A 30 -0.319 3.944 1.892 1.00 0.00 C ATOM 501 CE1 PHE A 30 2.445 3.505 1.766 1.00 0.00 C ATOM 502 CE2 PHE A 30 0.498 4.296 2.973 1.00 0.00 C ATOM 503 CZ PHE A 30 1.882 4.076 2.909 1.00 0.00 C ATOM 0 H PHE A 30 -1.432 5.283 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 30 0.909 3.887 -1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.666 3.200 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.548 1.910 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.069 2.710 -0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.385 4.113 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.510 3.335 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.062 4.737 3.857 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.512 4.348 3.743 1.00 0.00 H new ATOM 513 N ILE A 31 -1.830 2.885 -3.251 1.00 0.00 N ATOM 514 CA ILE A 31 -2.284 2.140 -4.430 1.00 0.00 C ATOM 515 C ILE A 31 -1.659 2.725 -5.707 1.00 0.00 C ATOM 516 O ILE A 31 -1.203 1.980 -6.578 1.00 0.00 O ATOM 517 CB ILE A 31 -3.829 2.155 -4.509 1.00 0.00 C ATOM 518 CG1 ILE A 31 -4.410 1.441 -3.262 1.00 0.00 C ATOM 519 CG2 ILE A 31 -4.299 1.430 -5.785 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.944 1.490 -3.278 1.00 0.00 C ATOM 0 H ILE A 31 -2.576 3.328 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.958 1.104 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.179 3.187 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.074 0.404 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.035 1.917 -2.356 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.388 1.446 -5.832 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.891 1.934 -6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.951 0.397 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.333 0.984 -2.395 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.275 2.529 -3.276 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.315 0.993 -4.174 1.00 0.00 H new ATOM 532 N ARG A 32 -1.635 4.057 -5.799 1.00 0.00 N ATOM 533 CA ARG A 32 -1.054 4.737 -6.961 1.00 0.00 C ATOM 534 C ARG A 32 0.461 4.498 -7.041 1.00 0.00 C ATOM 535 O ARG A 32 0.993 4.229 -8.123 1.00 0.00 O ATOM 536 CB ARG A 32 -1.349 6.249 -6.873 1.00 0.00 C ATOM 537 CG ARG A 32 -0.774 6.999 -8.095 1.00 0.00 C ATOM 538 CD ARG A 32 -1.601 6.699 -9.354 1.00 0.00 C ATOM 539 NE ARG A 32 -0.938 7.263 -10.533 1.00 0.00 N ATOM 540 CZ ARG A 32 -1.576 7.437 -11.695 1.00 0.00 C ATOM 541 NH1 ARG A 32 -2.831 7.100 -11.826 1.00 0.00 N ATOM 542 NH2 ARG A 32 -0.938 7.944 -12.710 1.00 0.00 N ATOM 0 H ARG A 32 -2.009 4.684 -5.087 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.506 4.328 -7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.426 6.410 -6.817 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.918 6.654 -5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.772 8.072 -7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.263 6.702 -8.255 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.720 5.622 -9.473 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.601 7.121 -9.252 1.00 0.00 H new ATOM 0 HE ARG A 32 0.044 7.532 -10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.336 6.699 -11.036 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.306 7.238 -12.718 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.043 8.206 -12.616 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.419 8.079 -13.599 1.00 0.00 H new ATOM 556 N SER A 33 1.146 4.620 -5.899 1.00 0.00 N ATOM 557 CA SER A 33 2.600 4.442 -5.858 1.00 0.00 C ATOM 558 C SER A 33 3.018 3.033 -6.276 1.00 0.00 C ATOM 559 O SER A 33 4.114 2.856 -6.807 1.00 0.00 O ATOM 560 CB SER A 33 3.147 4.765 -4.463 1.00 0.00 C ATOM 561 OG SER A 33 2.599 3.868 -3.506 1.00 0.00 O ATOM 0 H SER A 33 0.721 4.839 -4.998 1.00 0.00 H new ATOM 0 HA SER A 33 3.028 5.140 -6.578 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.234 4.690 -4.463 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.899 5.792 -4.195 1.00 0.00 H new ATOM 0 HG SER A 33 1.778 3.470 -3.863 1.00 0.00 H new ATOM 567 N LEU A 34 2.154 2.032 -6.051 1.00 0.00 N ATOM 568 CA LEU A 34 2.492 0.658 -6.448 1.00 0.00 C ATOM 569 C LEU A 34 2.639 0.574 -7.969 1.00 0.00 C ATOM 570 O LEU A 34 3.566 -0.064 -8.473 1.00 0.00 O ATOM 571 CB LEU A 34 1.422 -0.336 -5.963 1.00 0.00 C ATOM 572 CG LEU A 34 1.747 -0.798 -4.531 1.00 0.00 C ATOM 573 CD1 LEU A 34 0.482 -1.347 -3.853 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.828 -1.895 -4.581 1.00 0.00 C ATOM 0 H LEU A 34 1.241 2.142 -5.609 1.00 0.00 H new ATOM 0 HA LEU A 34 3.440 0.390 -5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.439 0.134 -5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.382 -1.196 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 34 2.115 0.051 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.723 -1.671 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.277 -0.566 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.102 -2.194 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.060 -2.224 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.461 -2.741 -5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.729 -1.497 -5.048 1.00 0.00 H new ATOM 586 N TYR A 35 1.731 1.237 -8.690 1.00 0.00 N ATOM 587 CA TYR A 35 1.777 1.251 -10.153 1.00 0.00 C ATOM 588 C TYR A 35 2.939 2.126 -10.635 1.00 0.00 C ATOM 589 O TYR A 35 3.708 1.734 -11.515 1.00 0.00 O ATOM 590 CB TYR A 35 0.449 1.790 -10.711 1.00 0.00 C ATOM 591 CG TYR A 35 0.436 1.670 -12.223 1.00 0.00 C ATOM 592 CD1 TYR A 35 0.044 0.467 -12.827 1.00 0.00 C ATOM 593 CD2 TYR A 35 0.815 2.760 -13.021 1.00 0.00 C ATOM 594 CE1 TYR A 35 0.032 0.354 -14.223 1.00 0.00 C ATOM 595 CE2 TYR A 35 0.801 2.645 -14.417 1.00 0.00 C ATOM 596 CZ TYR A 35 0.409 1.442 -15.017 1.00 0.00 C ATOM 597 OH TYR A 35 0.397 1.331 -16.392 1.00 0.00 O ATOM 0 H TYR A 35 0.959 1.768 -8.287 1.00 0.00 H new ATOM 0 HA TYR A 35 1.929 0.233 -10.512 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.386 1.233 -10.286 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.319 2.832 -10.419 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.249 -0.373 -12.215 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.118 3.688 -12.559 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -0.269 -0.574 -14.687 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.093 3.484 -15.031 1.00 0.00 H new ATOM 0 HH TYR A 35 0.685 2.178 -16.791 1.00 0.00 H new ATOM 607 N ASP A 36 3.048 3.318 -10.048 1.00 0.00 N ATOM 608 CA ASP A 36 4.104 4.265 -10.408 1.00 0.00 C ATOM 609 C ASP A 36 5.501 3.689 -10.133 1.00 0.00 C ATOM 610 O ASP A 36 6.398 3.806 -10.973 1.00 0.00 O ATOM 611 CB ASP A 36 3.900 5.574 -9.622 1.00 0.00 C ATOM 612 CG ASP A 36 3.108 6.581 -10.465 1.00 0.00 C ATOM 613 OD1 ASP A 36 3.701 7.175 -11.353 1.00 0.00 O ATOM 614 OD2 ASP A 36 1.924 6.743 -10.214 1.00 0.00 O ATOM 0 H ASP A 36 2.417 3.651 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 36 4.040 4.462 -11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.369 5.369 -8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.867 5.998 -9.350 1.00 0.00 H new ATOM 619 N ASP A 37 5.679 3.084 -8.951 1.00 0.00 N ATOM 620 CA ASP A 37 6.971 2.501 -8.553 1.00 0.00 C ATOM 621 C ASP A 37 6.759 1.148 -7.841 1.00 0.00 C ATOM 622 O ASP A 37 6.823 1.064 -6.606 1.00 0.00 O ATOM 623 CB ASP A 37 7.714 3.479 -7.624 1.00 0.00 C ATOM 624 CG ASP A 37 8.094 4.750 -8.389 1.00 0.00 C ATOM 625 OD1 ASP A 37 9.041 4.695 -9.158 1.00 0.00 O ATOM 626 OD2 ASP A 37 7.433 5.759 -8.197 1.00 0.00 O ATOM 0 H ASP A 37 4.944 2.985 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 37 7.570 2.327 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.083 3.733 -6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.610 3.004 -7.226 1.00 0.00 H new ATOM 631 N PRO A 38 6.502 0.091 -8.592 1.00 0.00 N ATOM 632 CA PRO A 38 6.262 -1.275 -8.016 1.00 0.00 C ATOM 633 C PRO A 38 7.486 -1.831 -7.284 1.00 0.00 C ATOM 634 O PRO A 38 7.373 -2.775 -6.502 1.00 0.00 O ATOM 635 CB PRO A 38 5.900 -2.134 -9.236 1.00 0.00 C ATOM 636 CG PRO A 38 6.456 -1.412 -10.416 1.00 0.00 C ATOM 637 CD PRO A 38 6.420 0.073 -10.067 1.00 0.00 C ATOM 0 HA PRO A 38 5.479 -1.261 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.327 -3.134 -9.152 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.820 -2.255 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.475 -1.737 -10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.866 -1.616 -11.310 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.253 0.611 -10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.504 0.545 -10.422 1.00 0.00 H new ATOM 645 N SER A 39 8.648 -1.244 -7.550 1.00 0.00 N ATOM 646 CA SER A 39 9.890 -1.692 -6.919 1.00 0.00 C ATOM 647 C SER A 39 9.849 -1.516 -5.395 1.00 0.00 C ATOM 648 O SER A 39 10.592 -2.192 -4.677 1.00 0.00 O ATOM 649 CB SER A 39 11.077 -0.911 -7.495 1.00 0.00 C ATOM 650 OG SER A 39 10.973 0.461 -7.125 1.00 0.00 O ATOM 0 H SER A 39 8.759 -0.461 -8.194 1.00 0.00 H new ATOM 0 HA SER A 39 10.006 -2.755 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.013 -1.328 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.094 -1.005 -8.581 1.00 0.00 H new ATOM 0 HG SER A 39 11.734 0.958 -7.493 1.00 0.00 H new ATOM 656 N GLN A 40 9.007 -0.590 -4.909 1.00 0.00 N ATOM 657 CA GLN A 40 8.915 -0.314 -3.464 1.00 0.00 C ATOM 658 C GLN A 40 7.727 -1.026 -2.797 1.00 0.00 C ATOM 659 O GLN A 40 7.429 -0.743 -1.637 1.00 0.00 O ATOM 660 CB GLN A 40 8.776 1.208 -3.237 1.00 0.00 C ATOM 661 CG GLN A 40 9.828 1.986 -4.048 1.00 0.00 C ATOM 662 CD GLN A 40 11.246 1.564 -3.654 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.632 1.686 -2.492 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.046 1.071 -4.559 1.00 0.00 N ATOM 0 H GLN A 40 8.386 -0.024 -5.487 1.00 0.00 H new ATOM 0 HA GLN A 40 9.828 -0.696 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.776 1.532 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.890 1.433 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.675 1.810 -5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.703 3.056 -3.881 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.726 0.970 -5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.992 0.787 -4.303 1.00 0.00 H new ATOM 673 N SER A 41 7.039 -1.927 -3.520 1.00 0.00 N ATOM 674 CA SER A 41 5.859 -2.628 -2.964 1.00 0.00 C ATOM 675 C SER A 41 6.080 -3.107 -1.522 1.00 0.00 C ATOM 676 O SER A 41 5.193 -2.956 -0.673 1.00 0.00 O ATOM 677 CB SER A 41 5.485 -3.831 -3.841 1.00 0.00 C ATOM 678 OG SER A 41 5.234 -3.396 -5.168 1.00 0.00 O ATOM 0 H SER A 41 7.272 -2.187 -4.478 1.00 0.00 H new ATOM 0 HA SER A 41 5.046 -1.902 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.293 -4.563 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.602 -4.327 -3.438 1.00 0.00 H new ATOM 0 HG SER A 41 6.047 -3.499 -5.705 1.00 0.00 H new ATOM 684 N ALA A 42 7.259 -3.664 -1.247 1.00 0.00 N ATOM 685 CA ALA A 42 7.574 -4.142 0.101 1.00 0.00 C ATOM 686 C ALA A 42 7.660 -2.968 1.080 1.00 0.00 C ATOM 687 O ALA A 42 7.099 -3.019 2.183 1.00 0.00 O ATOM 688 CB ALA A 42 8.905 -4.901 0.086 1.00 0.00 C ATOM 0 H ALA A 42 8.005 -3.795 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 42 6.778 -4.812 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.134 -5.254 1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.830 -5.753 -0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.699 -4.236 -0.255 1.00 0.00 H new ATOM 694 N ASN A 43 8.364 -1.912 0.664 1.00 0.00 N ATOM 695 CA ASN A 43 8.525 -0.725 1.501 1.00 0.00 C ATOM 696 C ASN A 43 7.181 -0.044 1.738 1.00 0.00 C ATOM 697 O ASN A 43 6.894 0.385 2.851 1.00 0.00 O ATOM 698 CB ASN A 43 9.488 0.273 0.840 1.00 0.00 C ATOM 699 CG ASN A 43 10.895 -0.316 0.706 1.00 0.00 C ATOM 700 OD1 ASN A 43 11.222 -1.331 1.327 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.756 0.274 -0.071 1.00 0.00 N ATOM 0 H ASN A 43 8.828 -1.856 -0.242 1.00 0.00 H new ATOM 0 HA ASN A 43 8.937 -1.045 2.458 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.111 0.547 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.529 1.188 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.699 -0.103 -0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.488 1.113 -0.585 1.00 0.00 H new ATOM 708 N LEU A 44 6.368 0.053 0.682 1.00 0.00 N ATOM 709 CA LEU A 44 5.056 0.694 0.778 1.00 0.00 C ATOM 710 C LEU A 44 4.183 0.000 1.824 1.00 0.00 C ATOM 711 O LEU A 44 3.483 0.666 2.591 1.00 0.00 O ATOM 712 CB LEU A 44 4.355 0.649 -0.577 1.00 0.00 C ATOM 713 CG LEU A 44 5.123 1.486 -1.628 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.432 1.357 -2.991 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.152 2.968 -1.218 1.00 0.00 C ATOM 0 H LEU A 44 6.596 -0.304 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 44 5.206 1.730 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.277 -0.384 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.338 1.029 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 44 6.145 1.113 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.973 1.947 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.423 0.311 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.408 1.722 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.696 3.542 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.132 3.345 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.649 3.069 -0.253 1.00 0.00 H new ATOM 727 N LEU A 45 4.238 -1.338 1.858 1.00 0.00 N ATOM 728 CA LEU A 45 3.459 -2.111 2.834 1.00 0.00 C ATOM 729 C LEU A 45 3.891 -1.736 4.253 1.00 0.00 C ATOM 730 O LEU A 45 3.057 -1.420 5.108 1.00 0.00 O ATOM 731 CB LEU A 45 3.671 -3.614 2.584 1.00 0.00 C ATOM 732 CG LEU A 45 3.063 -4.462 3.726 1.00 0.00 C ATOM 733 CD1 LEU A 45 1.549 -4.210 3.835 1.00 0.00 C ATOM 734 CD2 LEU A 45 3.314 -5.953 3.454 1.00 0.00 C ATOM 0 H LEU A 45 4.808 -1.903 1.228 1.00 0.00 H new ATOM 0 HA LEU A 45 2.399 -1.882 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.214 -3.896 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.737 -3.824 2.499 1.00 0.00 H new ATOM 0 HG LEU A 45 3.538 -4.175 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.137 -4.814 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.370 -3.155 4.043 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.066 -4.482 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.884 -6.547 4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.849 -6.234 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.387 -6.137 3.399 1.00 0.00 H new ATOM 746 N ALA A 46 5.205 -1.752 4.479 1.00 0.00 N ATOM 747 CA ALA A 46 5.756 -1.388 5.789 1.00 0.00 C ATOM 748 C ALA A 46 5.429 0.073 6.100 1.00 0.00 C ATOM 749 O ALA A 46 5.107 0.422 7.238 1.00 0.00 O ATOM 750 CB ALA A 46 7.274 -1.580 5.791 1.00 0.00 C ATOM 0 H ALA A 46 5.903 -2.010 3.781 1.00 0.00 H new ATOM 0 HA ALA A 46 5.311 -2.031 6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.674 -1.307 6.768 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.509 -2.623 5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.722 -0.946 5.026 1.00 0.00 H new ATOM 756 N GLU A 47 5.505 0.913 5.066 1.00 0.00 N ATOM 757 CA GLU A 47 5.205 2.335 5.199 1.00 0.00 C ATOM 758 C GLU A 47 3.746 2.528 5.609 1.00 0.00 C ATOM 759 O GLU A 47 3.436 3.401 6.424 1.00 0.00 O ATOM 760 CB GLU A 47 5.484 3.044 3.866 1.00 0.00 C ATOM 761 CG GLU A 47 6.994 3.301 3.703 1.00 0.00 C ATOM 762 CD GLU A 47 7.485 4.338 4.722 1.00 0.00 C ATOM 763 OE1 GLU A 47 6.974 5.448 4.710 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.375 4.014 5.493 1.00 0.00 O ATOM 0 H GLU A 47 5.773 0.629 4.124 1.00 0.00 H new ATOM 0 HA GLU A 47 5.840 2.767 5.972 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.121 2.434 3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.941 3.989 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.542 2.368 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.200 3.652 2.692 1.00 0.00 H new ATOM 771 N ALA A 48 2.857 1.687 5.060 1.00 0.00 N ATOM 772 CA ALA A 48 1.434 1.752 5.403 1.00 0.00 C ATOM 773 C ALA A 48 1.269 1.409 6.880 1.00 0.00 C ATOM 774 O ALA A 48 0.496 2.046 7.601 1.00 0.00 O ATOM 775 CB ALA A 48 0.636 0.766 4.541 1.00 0.00 C ATOM 0 H ALA A 48 3.097 0.962 4.384 1.00 0.00 H new ATOM 0 HA ALA A 48 1.057 2.757 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.420 0.824 4.805 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.761 1.019 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.999 -0.247 4.716 1.00 0.00 H new ATOM 781 N LYS A 49 2.047 0.418 7.318 1.00 0.00 N ATOM 782 CA LYS A 49 2.045 -0.005 8.711 1.00 0.00 C ATOM 783 C LYS A 49 2.561 1.136 9.593 1.00 0.00 C ATOM 784 O LYS A 49 2.032 1.375 10.677 1.00 0.00 O ATOM 785 CB LYS A 49 2.943 -1.249 8.876 1.00 0.00 C ATOM 786 CG LYS A 49 2.083 -2.523 8.911 1.00 0.00 C ATOM 787 CD LYS A 49 1.642 -2.812 10.354 1.00 0.00 C ATOM 788 CE LYS A 49 0.353 -3.645 10.350 1.00 0.00 C ATOM 789 NZ LYS A 49 0.143 -4.244 11.699 1.00 0.00 N ATOM 0 H LYS A 49 2.688 -0.106 6.722 1.00 0.00 H new ATOM 0 HA LYS A 49 1.029 -0.258 9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.655 -1.304 8.053 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.524 -1.168 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.209 -2.401 8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.650 -3.367 8.518 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.430 -3.348 10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.479 -1.876 10.888 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.497 -3.017 10.083 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.418 -4.431 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.731 -4.808 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.950 -4.856 11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.063 -3.486 12.407 1.00 0.00 H new ATOM 803 N LYS A 50 3.599 1.829 9.109 1.00 0.00 N ATOM 804 CA LYS A 50 4.199 2.944 9.843 1.00 0.00 C ATOM 805 C LYS A 50 3.177 4.054 10.086 1.00 0.00 C ATOM 806 O LYS A 50 3.019 4.521 11.217 1.00 0.00 O ATOM 807 CB LYS A 50 5.378 3.498 9.036 1.00 0.00 C ATOM 808 CG LYS A 50 6.173 4.504 9.881 1.00 0.00 C ATOM 809 CD LYS A 50 7.421 4.959 9.108 1.00 0.00 C ATOM 810 CE LYS A 50 7.040 6.009 8.055 1.00 0.00 C ATOM 811 NZ LYS A 50 8.236 6.334 7.226 1.00 0.00 N ATOM 0 H LYS A 50 4.040 1.635 8.210 1.00 0.00 H new ATOM 0 HA LYS A 50 4.544 2.581 10.811 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.028 2.682 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.013 3.981 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.549 5.365 10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.466 4.048 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.154 5.376 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.890 4.102 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.237 5.631 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.665 6.909 8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.976 7.033 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.983 6.727 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.584 5.469 6.765 1.00 0.00 H new ATOM 825 N LEU A 51 2.482 4.463 9.018 1.00 0.00 N ATOM 826 CA LEU A 51 1.466 5.513 9.123 1.00 0.00 C ATOM 827 C LEU A 51 0.353 5.070 10.069 1.00 0.00 C ATOM 828 O LEU A 51 -0.082 5.839 10.929 1.00 0.00 O ATOM 829 CB LEU A 51 0.900 5.833 7.729 1.00 0.00 C ATOM 830 CG LEU A 51 1.952 6.595 6.897 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.427 6.818 5.473 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.253 7.958 7.548 1.00 0.00 C ATOM 0 H LEU A 51 2.604 4.085 8.078 1.00 0.00 H new ATOM 0 HA LEU A 51 1.922 6.416 9.528 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.620 4.911 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.005 6.433 7.823 1.00 0.00 H new ATOM 0 HG LEU A 51 2.867 6.003 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.174 7.357 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.226 5.855 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.507 7.401 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.997 8.489 6.954 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.338 8.548 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.638 7.803 8.556 1.00 0.00 H new ATOM 844 N ASN A 52 -0.082 3.817 9.914 1.00 0.00 N ATOM 845 CA ASN A 52 -1.126 3.254 10.770 1.00 0.00 C ATOM 846 C ASN A 52 -0.680 3.262 12.235 1.00 0.00 C ATOM 847 O ASN A 52 -1.420 3.704 13.114 1.00 0.00 O ATOM 848 CB ASN A 52 -1.423 1.814 10.325 1.00 0.00 C ATOM 849 CG ASN A 52 -2.413 1.135 11.274 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.673 1.459 11.235 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -2.023 0.285 12.075 1.00 0.00 N flip ATOM 0 H ASN A 52 0.272 3.175 9.205 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.027 3.861 10.679 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.830 1.820 9.314 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.496 1.242 10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.036 0.029 12.107 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.687 -0.164 12.706 1.00 0.00 H new ATOM 858 N ASP A 53 0.530 2.762 12.476 1.00 0.00 N ATOM 859 CA ASP A 53 1.078 2.696 13.830 1.00 0.00 C ATOM 860 C ASP A 53 1.229 4.089 14.447 1.00 0.00 C ATOM 861 O ASP A 53 1.005 4.266 15.648 1.00 0.00 O ATOM 862 CB ASP A 53 2.447 1.986 13.798 1.00 0.00 C ATOM 863 CG ASP A 53 2.313 0.496 13.425 1.00 0.00 C ATOM 864 OD1 ASP A 53 1.270 -0.091 13.685 1.00 0.00 O ATOM 865 OD2 ASP A 53 3.269 -0.041 12.887 1.00 0.00 O ATOM 0 H ASP A 53 1.150 2.397 11.753 1.00 0.00 H new ATOM 0 HA ASP A 53 0.381 2.132 14.450 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.097 2.483 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.925 2.075 14.774 1.00 0.00 H new ATOM 870 N ALA A 54 1.632 5.065 13.629 1.00 0.00 N ATOM 871 CA ALA A 54 1.839 6.437 14.107 1.00 0.00 C ATOM 872 C ALA A 54 0.517 7.173 14.355 1.00 0.00 C ATOM 873 O ALA A 54 0.318 7.758 15.424 1.00 0.00 O ATOM 874 CB ALA A 54 2.671 7.214 13.079 1.00 0.00 C ATOM 0 H ALA A 54 1.821 4.933 12.635 1.00 0.00 H new ATOM 0 HA ALA A 54 2.365 6.378 15.060 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.826 8.234 13.432 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.636 6.725 12.948 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.143 7.237 12.126 1.00 0.00 H new ATOM 880 N GLN A 55 -0.371 7.157 13.355 1.00 0.00 N ATOM 881 CA GLN A 55 -1.667 7.845 13.457 1.00 0.00 C ATOM 882 C GLN A 55 -2.585 7.191 14.494 1.00 0.00 C ATOM 883 O GLN A 55 -3.448 7.864 15.067 1.00 0.00 O ATOM 884 CB GLN A 55 -2.363 7.863 12.088 1.00 0.00 C ATOM 885 CG GLN A 55 -1.561 8.728 11.104 1.00 0.00 C ATOM 886 CD GLN A 55 -2.011 8.430 9.681 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.923 7.209 9.235 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -2.452 9.325 8.959 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.219 6.677 12.468 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.469 8.866 13.785 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.453 6.847 11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.375 8.256 12.190 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.708 9.784 11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.495 8.524 11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.519 10.279 9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.750 9.112 8.007 1.00 0.00 H new ATOM 897 N ALA A 56 -2.408 5.884 14.715 1.00 0.00 N ATOM 898 CA ALA A 56 -3.241 5.144 15.673 1.00 0.00 C ATOM 899 C ALA A 56 -3.195 5.784 17.071 1.00 0.00 C ATOM 900 O ALA A 56 -2.257 6.522 17.390 1.00 0.00 O ATOM 901 CB ALA A 56 -2.771 3.687 15.756 1.00 0.00 C ATOM 0 H ALA A 56 -1.700 5.318 14.247 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.271 5.179 15.318 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.393 3.144 16.468 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.853 3.222 14.774 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.732 3.658 16.085 1.00 0.00 H new ATOM 907 N PRO A 57 -4.195 5.518 17.902 1.00 0.00 N ATOM 908 CA PRO A 57 -4.279 6.078 19.294 1.00 0.00 C ATOM 909 C PRO A 57 -3.025 5.801 20.128 1.00 0.00 C ATOM 910 O PRO A 57 -2.231 4.912 19.802 1.00 0.00 O ATOM 911 CB PRO A 57 -5.503 5.376 19.902 1.00 0.00 C ATOM 912 CG PRO A 57 -6.333 4.957 18.737 1.00 0.00 C ATOM 913 CD PRO A 57 -5.358 4.653 17.607 1.00 0.00 C ATOM 0 HA PRO A 57 -4.363 7.165 19.279 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.206 4.517 20.503 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.056 6.048 20.558 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.931 4.079 18.981 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.027 5.747 18.450 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.079 3.599 17.592 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.790 4.882 16.633 1.00 0.00 H new ATOM 921 N LYS A 58 -2.863 6.576 21.206 1.00 0.00 N ATOM 922 CA LYS A 58 -1.713 6.434 22.107 1.00 0.00 C ATOM 923 C LYS A 58 -2.172 6.487 23.569 1.00 0.00 C ATOM 924 O LYS A 58 -1.843 5.573 24.310 1.00 0.00 O ATOM 925 CB LYS A 58 -0.697 7.559 21.848 1.00 0.00 C ATOM 926 CG LYS A 58 -0.125 7.434 20.426 1.00 0.00 C ATOM 927 CD LYS A 58 0.979 8.484 20.217 1.00 0.00 C ATOM 928 CE LYS A 58 1.468 8.450 18.763 1.00 0.00 C ATOM 929 NZ LYS A 58 0.435 9.058 17.874 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.843 7.443 23.926 1.00 0.00 O ATOM 0 H LYS A 58 -3.516 7.311 21.477 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.241 5.470 21.916 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.177 8.530 21.972 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.110 7.507 22.579 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.278 6.433 20.273 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.918 7.575 19.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.598 9.477 20.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.811 8.289 20.894 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.408 8.995 18.672 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.665 7.422 18.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.232 8.412 17.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.436 9.225 18.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.788 9.962 17.499 1.00 0.00 H new