USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN :FLIP amide:sc= -1.91! C(o=-6.6!,f=-2.6!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= -0.71 F(o=-5.6!,f=-2.6) USER MOD Set 2.1: A 39 SER OG : rot -100:sc= 1.77 USER MOD Set 2.2: A 40 GLN : amide:sc= 1.58 K(o=3.9,f=0.77) USER MOD Set 2.3: A 43 ASN : amide:sc= 0.523 K(o=3.9,f=1.8) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.11 K(o=-0.69,f=-6.1!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.578 F(o=-2.3,f=-0.69) USER MOD Single : A 7 LYS NZ :NH3+ -160:sc= -0.0424 (180deg=-0.418) USER MOD Single : A 9 MET CE :methyl -168:sc= 0 (180deg=-0.185) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.4) USER MOD Single : A 24 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.027) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -23:sc= 1.08 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 97:sc= 0.893 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 134:sc= 0.685 (180deg=0.346) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.0722 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -1.020 13.328 -0.294 1.00 0.00 N ATOM 100 CA LYS A 7 -1.936 12.954 -1.383 1.00 0.00 C ATOM 101 C LYS A 7 -1.542 11.612 -2.014 1.00 0.00 C ATOM 102 O LYS A 7 -2.403 10.754 -2.257 1.00 0.00 O ATOM 103 CB LYS A 7 -1.925 14.057 -2.457 1.00 0.00 C ATOM 104 CG LYS A 7 -3.002 13.789 -3.527 1.00 0.00 C ATOM 105 CD LYS A 7 -4.395 14.139 -2.977 1.00 0.00 C ATOM 106 CE LYS A 7 -5.445 14.004 -4.088 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.218 15.058 -5.120 1.00 0.00 N ATOM 0 HA LYS A 7 -2.937 12.846 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.102 15.026 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.943 14.104 -2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.795 14.382 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.974 12.742 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.644 13.478 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.396 15.156 -2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.383 13.015 -4.543 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.447 14.100 -3.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.087 15.194 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.962 15.951 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.446 14.764 -5.752 1.00 0.00 H new ATOM 121 N GLU A 8 -0.244 11.434 -2.267 1.00 0.00 N ATOM 122 CA GLU A 8 0.253 10.193 -2.861 1.00 0.00 C ATOM 123 C GLU A 8 -0.044 9.008 -1.939 1.00 0.00 C ATOM 124 O GLU A 8 -0.399 7.917 -2.401 1.00 0.00 O ATOM 125 CB GLU A 8 1.769 10.296 -3.098 1.00 0.00 C ATOM 126 CG GLU A 8 2.065 11.385 -4.150 1.00 0.00 C ATOM 127 CD GLU A 8 3.571 11.478 -4.466 1.00 0.00 C ATOM 128 OE1 GLU A 8 4.378 11.112 -3.621 1.00 0.00 O ATOM 129 OE2 GLU A 8 3.894 11.937 -5.551 1.00 0.00 O ATOM 0 H GLU A 8 0.477 12.128 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.251 10.036 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.276 10.534 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.159 9.336 -3.437 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.514 11.167 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.709 12.349 -3.786 1.00 0.00 H new ATOM 136 N MET A 9 0.099 9.236 -0.633 1.00 0.00 N ATOM 137 CA MET A 9 -0.156 8.193 0.356 1.00 0.00 C ATOM 138 C MET A 9 -1.622 7.775 0.324 1.00 0.00 C ATOM 139 O MET A 9 -1.928 6.588 0.419 1.00 0.00 O ATOM 140 CB MET A 9 0.217 8.694 1.757 1.00 0.00 C ATOM 141 CG MET A 9 1.711 9.023 1.793 1.00 0.00 C ATOM 142 SD MET A 9 2.159 9.677 3.416 1.00 0.00 S ATOM 143 CE MET A 9 3.815 10.234 2.951 1.00 0.00 C ATOM 0 H MET A 9 0.389 10.131 -0.238 1.00 0.00 H new ATOM 0 HA MET A 9 0.458 7.326 0.113 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.368 9.579 2.008 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.018 7.934 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.294 8.128 1.579 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.950 9.752 1.019 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.379 10.488 3.849 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.329 9.438 2.413 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.737 11.113 2.311 1.00 0.00 H new ATOM 153 N ARG A 10 -2.522 8.759 0.188 1.00 0.00 N ATOM 154 CA ARG A 10 -3.959 8.476 0.140 1.00 0.00 C ATOM 155 C ARG A 10 -4.288 7.570 -1.046 1.00 0.00 C ATOM 156 O ARG A 10 -5.132 6.672 -0.934 1.00 0.00 O ATOM 157 CB ARG A 10 -4.762 9.782 0.027 1.00 0.00 C ATOM 158 CG ARG A 10 -4.607 10.606 1.316 1.00 0.00 C ATOM 159 CD ARG A 10 -5.479 11.866 1.237 1.00 0.00 C ATOM 160 NE ARG A 10 -5.205 12.741 2.381 1.00 0.00 N ATOM 161 CZ ARG A 10 -5.822 13.916 2.539 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.702 14.331 1.669 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.542 14.656 3.574 1.00 0.00 N ATOM 0 H ARG A 10 -2.282 9.747 0.110 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.234 7.967 1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.413 10.360 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.814 9.558 -0.147 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.897 10.006 2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.563 10.884 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.280 12.398 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.533 11.588 1.226 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.522 12.444 3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.926 13.756 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.166 15.230 1.802 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.855 14.338 4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.009 15.554 3.700 1.00 0.00 H new ATOM 177 N ASN A 11 -3.619 7.811 -2.179 1.00 0.00 N ATOM 178 CA ASN A 11 -3.851 7.004 -3.381 1.00 0.00 C ATOM 179 C ASN A 11 -3.477 5.538 -3.129 1.00 0.00 C ATOM 180 O ASN A 11 -4.280 4.637 -3.386 1.00 0.00 O ATOM 181 CB ASN A 11 -3.029 7.552 -4.562 1.00 0.00 C ATOM 182 CG ASN A 11 -3.463 8.979 -4.913 1.00 0.00 C ATOM 183 OD1 ASN A 11 -4.639 9.328 -4.794 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.575 9.829 -5.350 1.00 0.00 N ATOM 0 H ASN A 11 -2.922 8.548 -2.288 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.911 7.060 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.969 7.542 -4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.156 6.905 -5.430 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.855 10.780 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.601 9.543 -5.450 1.00 0.00 H new ATOM 191 N ALA A 12 -2.261 5.310 -2.614 1.00 0.00 N ATOM 192 CA ALA A 12 -1.800 3.945 -2.326 1.00 0.00 C ATOM 193 C ALA A 12 -2.581 3.341 -1.151 1.00 0.00 C ATOM 194 O ALA A 12 -2.812 2.134 -1.111 1.00 0.00 O ATOM 195 CB ALA A 12 -0.291 3.934 -2.025 1.00 0.00 C ATOM 0 H ALA A 12 -1.587 6.042 -2.391 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.983 3.334 -3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.031 2.914 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.255 4.316 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.088 4.565 -1.159 1.00 0.00 H new ATOM 201 N TYR A 13 -2.991 4.193 -0.201 1.00 0.00 N ATOM 202 CA TYR A 13 -3.753 3.749 0.982 1.00 0.00 C ATOM 203 C TYR A 13 -5.015 2.975 0.564 1.00 0.00 C ATOM 204 O TYR A 13 -5.176 1.793 0.893 1.00 0.00 O ATOM 205 CB TYR A 13 -4.146 4.997 1.810 1.00 0.00 C ATOM 206 CG TYR A 13 -4.923 4.625 3.067 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.297 4.346 2.990 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.277 4.588 4.310 1.00 0.00 C ATOM 209 CE1 TYR A 13 -7.015 4.026 4.148 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.998 4.266 5.467 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.366 3.986 5.385 1.00 0.00 C ATOM 212 OH TYR A 13 -7.075 3.671 6.526 1.00 0.00 O ATOM 0 H TYR A 13 -2.809 5.196 -0.226 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.134 3.079 1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.246 5.546 2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.749 5.665 1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.801 4.378 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.222 4.808 4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.071 3.810 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.497 4.234 6.423 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.474 3.686 7.300 1.00 0.00 H new ATOM 222 N TRP A 14 -5.898 3.662 -0.159 1.00 0.00 N ATOM 223 CA TRP A 14 -7.149 3.068 -0.623 1.00 0.00 C ATOM 224 C TRP A 14 -6.906 2.008 -1.708 1.00 0.00 C ATOM 225 O TRP A 14 -7.554 0.957 -1.701 1.00 0.00 O ATOM 226 CB TRP A 14 -8.057 4.178 -1.161 1.00 0.00 C ATOM 227 CG TRP A 14 -9.418 3.633 -1.485 1.00 0.00 C ATOM 228 CD1 TRP A 14 -10.404 3.417 -0.582 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.955 3.233 -2.780 1.00 0.00 C ATOM 230 NE1 TRP A 14 -11.510 2.910 -1.240 1.00 0.00 N ATOM 231 CE2 TRP A 14 -11.283 2.779 -2.596 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.425 3.221 -4.083 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -12.057 2.329 -3.665 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -10.202 2.768 -5.163 1.00 0.00 C ATOM 235 CH2 TRP A 14 -11.516 2.323 -4.954 1.00 0.00 C ATOM 0 H TRP A 14 -5.768 4.635 -0.437 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.628 2.566 0.218 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.144 4.975 -0.422 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.613 4.618 -2.054 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -10.338 3.609 0.479 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -12.386 2.663 -0.780 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.415 3.562 -4.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -13.068 1.987 -3.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -9.785 2.762 -6.159 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -12.109 1.976 -5.788 1.00 0.00 H new ATOM 246 N GLU A 15 -5.993 2.301 -2.646 1.00 0.00 N ATOM 247 CA GLU A 15 -5.705 1.368 -3.743 1.00 0.00 C ATOM 248 C GLU A 15 -5.251 0.007 -3.210 1.00 0.00 C ATOM 249 O GLU A 15 -5.731 -1.031 -3.670 1.00 0.00 O ATOM 250 CB GLU A 15 -4.634 1.960 -4.672 1.00 0.00 C ATOM 251 CG GLU A 15 -4.455 1.058 -5.911 1.00 0.00 C ATOM 252 CD GLU A 15 -3.376 1.600 -6.872 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.785 2.636 -6.589 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.155 0.960 -7.888 1.00 0.00 O ATOM 0 H GLU A 15 -5.449 3.164 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.624 1.217 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.924 2.964 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.688 2.051 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.182 0.052 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.404 0.978 -6.441 1.00 0.00 H new ATOM 261 N ILE A 16 -4.346 0.014 -2.226 1.00 0.00 N ATOM 262 CA ILE A 16 -3.870 -1.238 -1.635 1.00 0.00 C ATOM 263 C ILE A 16 -5.021 -1.944 -0.913 1.00 0.00 C ATOM 264 O ILE A 16 -5.190 -3.160 -1.043 1.00 0.00 O ATOM 265 CB ILE A 16 -2.705 -0.963 -0.662 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.490 -0.444 -1.458 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.314 -2.252 0.087 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.439 0.130 -0.499 1.00 0.00 C ATOM 0 H ILE A 16 -3.935 0.858 -1.828 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.504 -1.889 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.020 -0.216 0.066 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.056 -1.254 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.808 0.324 -2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.491 -2.041 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.170 -2.618 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.004 -3.011 -0.632 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.415 0.494 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.874 0.954 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.110 -0.649 0.189 1.00 0.00 H new ATOM 280 N ALA A 17 -5.808 -1.169 -0.156 1.00 0.00 N ATOM 281 CA ALA A 17 -6.943 -1.723 0.587 1.00 0.00 C ATOM 282 C ALA A 17 -7.946 -2.398 -0.355 1.00 0.00 C ATOM 283 O ALA A 17 -8.647 -3.329 0.049 1.00 0.00 O ATOM 284 CB ALA A 17 -7.645 -0.612 1.374 1.00 0.00 C ATOM 0 H ALA A 17 -5.680 -0.163 -0.043 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.559 -2.475 1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.487 -1.032 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.942 -0.163 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.006 0.151 0.684 1.00 0.00 H new ATOM 290 N LEU A 18 -8.013 -1.913 -1.601 1.00 0.00 N ATOM 291 CA LEU A 18 -8.939 -2.463 -2.595 1.00 0.00 C ATOM 292 C LEU A 18 -8.648 -3.945 -2.864 1.00 0.00 C ATOM 293 O LEU A 18 -9.578 -4.728 -3.082 1.00 0.00 O ATOM 294 CB LEU A 18 -8.835 -1.664 -3.906 1.00 0.00 C ATOM 295 CG LEU A 18 -9.939 -2.095 -4.894 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.316 -1.639 -4.382 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.672 -1.459 -6.268 1.00 0.00 C ATOM 0 H LEU A 18 -7.438 -1.143 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.951 -2.382 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.923 -0.598 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.855 -1.820 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.932 -3.181 -4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.087 -1.949 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.511 -2.091 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.327 -0.553 -4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.451 -1.763 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.673 -0.373 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.702 -1.790 -6.640 1.00 0.00 H new ATOM 309 N LEU A 19 -7.360 -4.324 -2.854 1.00 0.00 N ATOM 310 CA LEU A 19 -6.975 -5.718 -3.107 1.00 0.00 C ATOM 311 C LEU A 19 -7.549 -6.631 -2.005 1.00 0.00 C ATOM 312 O LEU A 19 -7.270 -6.427 -0.821 1.00 0.00 O ATOM 313 CB LEU A 19 -5.438 -5.823 -3.156 1.00 0.00 C ATOM 314 CG LEU A 19 -4.900 -5.628 -4.597 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.681 -4.543 -5.360 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.419 -5.220 -4.538 1.00 0.00 C ATOM 0 H LEU A 19 -6.579 -3.693 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.381 -6.042 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.000 -5.072 -2.498 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.127 -6.797 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.022 -6.573 -5.126 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.272 -4.439 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.731 -4.828 -5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.594 -3.593 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.039 -5.082 -5.550 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.321 -4.287 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.846 -6.001 -4.038 1.00 0.00 H new ATOM 328 N PRO A 20 -8.375 -7.603 -2.374 1.00 0.00 N ATOM 329 CA PRO A 20 -9.047 -8.541 -1.409 1.00 0.00 C ATOM 330 C PRO A 20 -8.266 -9.815 -1.041 1.00 0.00 C ATOM 331 O PRO A 20 -8.594 -10.455 -0.038 1.00 0.00 O ATOM 332 CB PRO A 20 -10.305 -8.920 -2.187 1.00 0.00 C ATOM 333 CG PRO A 20 -9.842 -9.004 -3.603 1.00 0.00 C ATOM 334 CD PRO A 20 -8.776 -7.921 -3.765 1.00 0.00 C ATOM 0 HA PRO A 20 -9.185 -8.060 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.715 -9.870 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.089 -8.172 -2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.432 -9.990 -3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.670 -8.843 -4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.930 -8.278 -4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.172 -7.044 -4.277 1.00 0.00 H new ATOM 342 N ASN A 21 -7.290 -10.219 -1.867 1.00 0.00 N ATOM 343 CA ASN A 21 -6.553 -11.467 -1.615 1.00 0.00 C ATOM 344 C ASN A 21 -5.285 -11.274 -0.774 1.00 0.00 C ATOM 345 O ASN A 21 -4.602 -12.258 -0.470 1.00 0.00 O ATOM 346 CB ASN A 21 -6.211 -12.135 -2.955 1.00 0.00 C ATOM 347 CG ASN A 21 -5.349 -11.222 -3.822 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.009 -10.103 -3.426 1.00 0.00 O ATOM 349 ND2 ASN A 21 -4.985 -11.632 -5.000 1.00 0.00 N ATOM 0 H ASN A 21 -6.996 -9.711 -2.701 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.206 -12.109 -1.025 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.684 -13.072 -2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.130 -12.383 -3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.419 -11.030 -5.597 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.266 -12.556 -5.328 1.00 0.00 H new ATOM 356 N LEU A 22 -4.979 -10.035 -0.375 1.00 0.00 N ATOM 357 CA LEU A 22 -3.793 -9.803 0.456 1.00 0.00 C ATOM 358 C LEU A 22 -4.043 -10.344 1.857 1.00 0.00 C ATOM 359 O LEU A 22 -5.127 -10.156 2.415 1.00 0.00 O ATOM 360 CB LEU A 22 -3.441 -8.310 0.575 1.00 0.00 C ATOM 361 CG LEU A 22 -3.194 -7.675 -0.799 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.407 -6.158 -0.696 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.748 -7.939 -1.239 1.00 0.00 C ATOM 0 H LEU A 22 -5.518 -9.200 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.960 -10.314 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.252 -7.784 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.552 -8.194 1.195 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.884 -8.106 -1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.233 -5.699 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.429 -5.955 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.710 -5.741 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.576 -7.486 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.061 -7.505 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.577 -9.014 -1.302 1.00 0.00 H new ATOM 375 N ASN A 23 -3.031 -11.012 2.421 1.00 0.00 N ATOM 376 CA ASN A 23 -3.144 -11.579 3.776 1.00 0.00 C ATOM 377 C ASN A 23 -3.494 -10.489 4.803 1.00 0.00 C ATOM 378 O ASN A 23 -3.121 -9.321 4.635 1.00 0.00 O ATOM 379 CB ASN A 23 -1.833 -12.264 4.179 1.00 0.00 C ATOM 380 CG ASN A 23 -2.011 -13.031 5.488 1.00 0.00 C ATOM 381 OD1 ASN A 23 -3.064 -13.624 5.734 1.00 0.00 O ATOM 382 ND2 ASN A 23 -1.035 -13.058 6.349 1.00 0.00 N ATOM 0 H ASN A 23 -2.131 -11.174 1.968 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.947 -12.316 3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.515 -12.947 3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.046 -11.518 4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.142 -13.569 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.163 -12.568 6.147 1.00 0.00 H new ATOM 389 N ASN A 24 -4.233 -10.885 5.849 1.00 0.00 N ATOM 390 CA ASN A 24 -4.670 -9.953 6.902 1.00 0.00 C ATOM 391 C ASN A 24 -3.501 -9.157 7.491 1.00 0.00 C ATOM 392 O ASN A 24 -3.644 -7.970 7.794 1.00 0.00 O ATOM 393 CB ASN A 24 -5.371 -10.733 8.026 1.00 0.00 C ATOM 394 CG ASN A 24 -6.633 -11.415 7.498 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.772 -12.634 7.599 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.569 -10.696 6.940 1.00 0.00 N ATOM 0 H ASN A 24 -4.542 -11.847 5.990 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.360 -9.244 6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.692 -11.480 8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.630 -10.056 8.840 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.415 -11.144 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.454 -9.686 6.856 1.00 0.00 H new ATOM 403 N GLN A 25 -2.354 -9.815 7.657 1.00 0.00 N ATOM 404 CA GLN A 25 -1.170 -9.155 8.211 1.00 0.00 C ATOM 405 C GLN A 25 -0.541 -8.192 7.195 1.00 0.00 C ATOM 406 O GLN A 25 -0.063 -7.116 7.563 1.00 0.00 O ATOM 407 CB GLN A 25 -0.129 -10.207 8.629 1.00 0.00 C ATOM 408 CG GLN A 25 -0.672 -11.047 9.798 1.00 0.00 C ATOM 409 CD GLN A 25 0.334 -12.128 10.207 1.00 0.00 C ATOM 410 OE1 GLN A 25 1.130 -12.592 9.388 1.00 0.00 O ATOM 411 NE2 GLN A 25 0.344 -12.562 11.438 1.00 0.00 N ATOM 0 H GLN A 25 -2.219 -10.797 7.418 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.485 -8.580 9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.106 -10.854 7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.799 -9.716 8.923 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.883 -10.400 10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.615 -11.512 9.510 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.313 -12.181 12.119 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.009 -13.283 11.719 1.00 0.00 H new ATOM 420 N GLN A 26 -0.518 -8.611 5.925 1.00 0.00 N ATOM 421 CA GLN A 26 0.088 -7.812 4.852 1.00 0.00 C ATOM 422 C GLN A 26 -0.660 -6.503 4.573 1.00 0.00 C ATOM 423 O GLN A 26 -0.026 -5.458 4.414 1.00 0.00 O ATOM 424 CB GLN A 26 0.153 -8.644 3.564 1.00 0.00 C ATOM 425 CG GLN A 26 1.131 -9.817 3.746 1.00 0.00 C ATOM 426 CD GLN A 26 1.157 -10.685 2.487 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.037 -11.146 2.001 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 2.224 -10.946 1.932 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.912 -9.499 5.614 1.00 0.00 H new ATOM 0 HA GLN A 26 1.088 -7.541 5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.839 -9.022 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.474 -8.017 2.732 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.131 -9.437 3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.833 -10.418 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.099 -10.585 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.234 -11.523 1.091 1.00 0.00 H new ATOM 437 N LYS A 27 -1.995 -6.555 4.485 1.00 0.00 N ATOM 438 CA LYS A 27 -2.771 -5.343 4.185 1.00 0.00 C ATOM 439 C LYS A 27 -2.531 -4.255 5.239 1.00 0.00 C ATOM 440 O LYS A 27 -2.356 -3.083 4.893 1.00 0.00 O ATOM 441 CB LYS A 27 -4.272 -5.665 4.067 1.00 0.00 C ATOM 442 CG LYS A 27 -4.822 -6.187 5.399 1.00 0.00 C ATOM 443 CD LYS A 27 -6.248 -6.732 5.207 1.00 0.00 C ATOM 444 CE LYS A 27 -7.204 -5.594 4.822 1.00 0.00 C ATOM 445 NZ LYS A 27 -8.613 -6.052 4.998 1.00 0.00 N ATOM 0 H LYS A 27 -2.550 -7.401 4.613 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.428 -4.960 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.818 -4.770 3.768 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.429 -6.410 3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.173 -6.973 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.827 -5.386 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.251 -7.497 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.590 -7.208 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.014 -4.718 5.443 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.033 -5.295 3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.263 -5.283 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.789 -6.876 4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.770 -6.317 5.991 1.00 0.00 H new ATOM 459 N ARG A 28 -2.511 -4.649 6.515 1.00 0.00 N ATOM 460 CA ARG A 28 -2.276 -3.696 7.606 1.00 0.00 C ATOM 461 C ARG A 28 -0.810 -3.248 7.630 1.00 0.00 C ATOM 462 O ARG A 28 -0.512 -2.071 7.868 1.00 0.00 O ATOM 463 CB ARG A 28 -2.632 -4.339 8.958 1.00 0.00 C ATOM 464 CG ARG A 28 -4.139 -4.639 9.022 1.00 0.00 C ATOM 465 CD ARG A 28 -4.506 -5.161 10.419 1.00 0.00 C ATOM 466 NE ARG A 28 -5.898 -5.619 10.443 1.00 0.00 N ATOM 467 CZ ARG A 28 -6.929 -4.768 10.471 1.00 0.00 C ATOM 468 NH1 ARG A 28 -6.729 -3.477 10.478 1.00 0.00 N ATOM 469 NH2 ARG A 28 -8.145 -5.231 10.491 1.00 0.00 N ATOM 0 H ARG A 28 -2.653 -5.613 6.818 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.910 -2.826 7.437 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.064 -5.260 9.092 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.352 -3.671 9.772 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.709 -3.737 8.800 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.405 -5.378 8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.842 -5.980 10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.363 -4.373 11.158 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.087 -6.621 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.778 -3.108 10.462 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.524 -2.838 10.499 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.307 -6.238 10.485 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.936 -4.587 10.512 1.00 0.00 H new ATOM 483 N ALA A 29 0.097 -4.202 7.402 1.00 0.00 N ATOM 484 CA ALA A 29 1.534 -3.923 7.422 1.00 0.00 C ATOM 485 C ALA A 29 1.939 -2.892 6.365 1.00 0.00 C ATOM 486 O ALA A 29 2.740 -2.000 6.651 1.00 0.00 O ATOM 487 CB ALA A 29 2.316 -5.223 7.197 1.00 0.00 C ATOM 0 H ALA A 29 -0.139 -5.174 7.202 1.00 0.00 H new ATOM 0 HA ALA A 29 1.772 -3.504 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.385 -5.012 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.075 -5.934 7.987 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.044 -5.649 6.231 1.00 0.00 H new ATOM 493 N PHE A 30 1.408 -3.027 5.145 1.00 0.00 N ATOM 494 CA PHE A 30 1.753 -2.102 4.056 1.00 0.00 C ATOM 495 C PHE A 30 1.342 -0.665 4.384 1.00 0.00 C ATOM 496 O PHE A 30 2.173 0.250 4.334 1.00 0.00 O ATOM 497 CB PHE A 30 1.085 -2.551 2.749 1.00 0.00 C ATOM 498 CG PHE A 30 1.995 -3.521 2.017 1.00 0.00 C ATOM 499 CD1 PHE A 30 2.408 -4.710 2.636 1.00 0.00 C ATOM 500 CD2 PHE A 30 2.425 -3.229 0.717 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.248 -5.600 1.954 1.00 0.00 C ATOM 502 CE2 PHE A 30 3.263 -4.119 0.040 1.00 0.00 C ATOM 503 CZ PHE A 30 3.675 -5.303 0.656 1.00 0.00 C ATOM 0 H PHE A 30 0.745 -3.758 4.887 1.00 0.00 H new ATOM 0 HA PHE A 30 2.836 -2.122 3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.128 -3.026 2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.878 -1.686 2.119 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.078 -4.939 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.109 -2.315 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.566 -6.515 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.593 -3.891 -0.963 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.323 -5.989 0.130 1.00 0.00 H new ATOM 513 N ILE A 31 0.066 -0.464 4.721 1.00 0.00 N ATOM 514 CA ILE A 31 -0.419 0.879 5.052 1.00 0.00 C ATOM 515 C ILE A 31 0.334 1.440 6.269 1.00 0.00 C ATOM 516 O ILE A 31 0.564 2.647 6.356 1.00 0.00 O ATOM 517 CB ILE A 31 -1.949 0.864 5.270 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.631 0.549 3.912 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.423 2.229 5.801 1.00 0.00 C ATOM 520 CD1 ILE A 31 -4.166 0.655 4.001 1.00 0.00 C ATOM 0 H ILE A 31 -0.639 -1.199 4.772 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.218 1.545 4.213 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.215 0.104 6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.263 1.239 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.355 -0.455 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.502 2.206 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.930 2.442 6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.173 3.007 5.079 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.603 0.427 3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.537 -0.054 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.444 1.667 4.296 1.00 0.00 H new ATOM 532 N ARG A 32 0.740 0.556 7.187 1.00 0.00 N ATOM 533 CA ARG A 32 1.501 0.982 8.368 1.00 0.00 C ATOM 534 C ARG A 32 2.932 1.373 7.964 1.00 0.00 C ATOM 535 O ARG A 32 3.479 2.380 8.440 1.00 0.00 O ATOM 536 CB ARG A 32 1.540 -0.151 9.404 1.00 0.00 C ATOM 537 CG ARG A 32 2.216 0.337 10.696 1.00 0.00 C ATOM 538 CD ARG A 32 2.256 -0.800 11.726 1.00 0.00 C ATOM 539 NE ARG A 32 2.795 -0.311 12.998 1.00 0.00 N ATOM 540 CZ ARG A 32 2.922 -1.104 14.065 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.568 -2.361 14.010 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.405 -0.620 15.173 1.00 0.00 N ATOM 0 H ARG A 32 0.558 -0.446 7.137 1.00 0.00 H new ATOM 0 HA ARG A 32 1.010 1.850 8.808 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.527 -0.491 9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.084 -1.005 9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.228 0.680 10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.671 1.189 11.103 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.253 -1.199 11.877 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.872 -1.618 11.352 1.00 0.00 H new ATOM 0 HE ARG A 32 3.082 0.665 13.071 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.190 -2.747 13.145 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.670 -2.956 14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.684 0.360 15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.504 -1.221 15.991 1.00 0.00 H new ATOM 556 N SER A 33 3.535 0.558 7.086 1.00 0.00 N ATOM 557 CA SER A 33 4.902 0.806 6.628 1.00 0.00 C ATOM 558 C SER A 33 5.009 2.138 5.882 1.00 0.00 C ATOM 559 O SER A 33 6.084 2.742 5.862 1.00 0.00 O ATOM 560 CB SER A 33 5.403 -0.345 5.743 1.00 0.00 C ATOM 561 OG SER A 33 4.689 -0.369 4.517 1.00 0.00 O ATOM 0 H SER A 33 3.098 -0.271 6.684 1.00 0.00 H new ATOM 0 HA SER A 33 5.536 0.863 7.512 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.469 -0.226 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.278 -1.294 6.264 1.00 0.00 H new ATOM 0 HG SER A 33 3.823 0.075 4.634 1.00 0.00 H new ATOM 567 N LEU A 34 3.894 2.601 5.284 1.00 0.00 N ATOM 568 CA LEU A 34 3.895 3.889 4.563 1.00 0.00 C ATOM 569 C LEU A 34 4.428 4.985 5.488 1.00 0.00 C ATOM 570 O LEU A 34 5.283 5.786 5.099 1.00 0.00 O ATOM 571 CB LEU A 34 2.465 4.267 4.107 1.00 0.00 C ATOM 572 CG LEU A 34 2.274 4.087 2.591 1.00 0.00 C ATOM 573 CD1 LEU A 34 3.212 5.036 1.828 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.537 2.624 2.180 1.00 0.00 C ATOM 0 H LEU A 34 2.998 2.114 5.285 1.00 0.00 H new ATOM 0 HA LEU A 34 4.530 3.792 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.741 3.650 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.261 5.303 4.377 1.00 0.00 H new ATOM 0 HG LEU A 34 1.242 4.331 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.071 4.903 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.985 6.067 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.247 4.812 2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.397 2.517 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.559 2.351 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.841 1.968 2.703 1.00 0.00 H new ATOM 586 N TYR A 35 3.918 4.986 6.722 1.00 0.00 N ATOM 587 CA TYR A 35 4.338 5.954 7.733 1.00 0.00 C ATOM 588 C TYR A 35 5.764 5.646 8.198 1.00 0.00 C ATOM 589 O TYR A 35 6.557 6.564 8.429 1.00 0.00 O ATOM 590 CB TYR A 35 3.374 5.911 8.930 1.00 0.00 C ATOM 591 CG TYR A 35 3.719 7.014 9.915 1.00 0.00 C ATOM 592 CD1 TYR A 35 3.216 8.310 9.724 1.00 0.00 C ATOM 593 CD2 TYR A 35 4.546 6.742 11.015 1.00 0.00 C ATOM 594 CE1 TYR A 35 3.538 9.327 10.631 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.865 7.763 11.921 1.00 0.00 C ATOM 596 CZ TYR A 35 4.361 9.054 11.728 1.00 0.00 C ATOM 597 OH TYR A 35 4.678 10.058 12.620 1.00 0.00 O ATOM 0 H TYR A 35 3.212 4.324 7.044 1.00 0.00 H new ATOM 0 HA TYR A 35 4.319 6.952 7.296 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.347 6.029 8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.435 4.940 9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.580 8.523 8.877 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.937 5.746 11.164 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.150 10.324 10.483 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.500 7.553 12.769 1.00 0.00 H new ATOM 0 HH TYR A 35 5.258 9.699 13.324 1.00 0.00 H new ATOM 607 N ASP A 36 6.069 4.349 8.352 1.00 0.00 N ATOM 608 CA ASP A 36 7.396 3.922 8.813 1.00 0.00 C ATOM 609 C ASP A 36 8.513 4.414 7.882 1.00 0.00 C ATOM 610 O ASP A 36 9.558 4.871 8.355 1.00 0.00 O ATOM 611 CB ASP A 36 7.451 2.392 8.909 1.00 0.00 C ATOM 612 CG ASP A 36 8.754 1.954 9.582 1.00 0.00 C ATOM 613 OD1 ASP A 36 8.798 1.955 10.802 1.00 0.00 O ATOM 614 OD2 ASP A 36 9.691 1.631 8.869 1.00 0.00 O ATOM 0 H ASP A 36 5.420 3.584 8.166 1.00 0.00 H new ATOM 0 HA ASP A 36 7.557 4.364 9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.597 2.025 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.382 1.955 7.913 1.00 0.00 H new ATOM 619 N ASP A 37 8.292 4.315 6.561 1.00 0.00 N ATOM 620 CA ASP A 37 9.295 4.752 5.577 1.00 0.00 C ATOM 621 C ASP A 37 8.616 5.336 4.320 1.00 0.00 C ATOM 622 O ASP A 37 8.454 4.643 3.304 1.00 0.00 O ATOM 623 CB ASP A 37 10.224 3.569 5.211 1.00 0.00 C ATOM 624 CG ASP A 37 11.685 3.934 5.492 1.00 0.00 C ATOM 625 OD1 ASP A 37 12.190 4.829 4.832 1.00 0.00 O ATOM 626 OD2 ASP A 37 12.277 3.315 6.365 1.00 0.00 O ATOM 0 H ASP A 37 7.436 3.940 6.153 1.00 0.00 H new ATOM 0 HA ASP A 37 9.899 5.543 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.945 2.687 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.102 3.314 4.158 1.00 0.00 H new ATOM 631 N PRO A 38 8.225 6.600 4.368 1.00 0.00 N ATOM 632 CA PRO A 38 7.560 7.292 3.212 1.00 0.00 C ATOM 633 C PRO A 38 8.407 7.239 1.936 1.00 0.00 C ATOM 634 O PRO A 38 7.894 7.421 0.830 1.00 0.00 O ATOM 635 CB PRO A 38 7.390 8.741 3.695 1.00 0.00 C ATOM 636 CG PRO A 38 7.442 8.672 5.184 1.00 0.00 C ATOM 637 CD PRO A 38 8.366 7.509 5.524 1.00 0.00 C ATOM 0 HA PRO A 38 6.617 6.815 2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.181 9.381 3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.443 9.160 3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.819 9.604 5.604 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.448 8.514 5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.397 7.840 5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.072 7.023 6.454 1.00 0.00 H new ATOM 645 N SER A 39 9.707 6.997 2.104 1.00 0.00 N ATOM 646 CA SER A 39 10.629 6.927 0.974 1.00 0.00 C ATOM 647 C SER A 39 10.287 5.765 0.033 1.00 0.00 C ATOM 648 O SER A 39 10.604 5.826 -1.158 1.00 0.00 O ATOM 649 CB SER A 39 12.065 6.762 1.488 1.00 0.00 C ATOM 650 OG SER A 39 12.207 5.488 2.110 1.00 0.00 O ATOM 0 H SER A 39 10.144 6.846 3.013 1.00 0.00 H new ATOM 0 HA SER A 39 10.536 7.856 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.770 6.855 0.662 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.300 7.553 2.199 1.00 0.00 H new ATOM 0 HG SER A 39 12.158 5.592 3.083 1.00 0.00 H new ATOM 656 N GLN A 40 9.670 4.701 0.573 1.00 0.00 N ATOM 657 CA GLN A 40 9.330 3.518 -0.236 1.00 0.00 C ATOM 658 C GLN A 40 7.859 3.505 -0.675 1.00 0.00 C ATOM 659 O GLN A 40 7.416 2.517 -1.259 1.00 0.00 O ATOM 660 CB GLN A 40 9.612 2.230 0.568 1.00 0.00 C ATOM 661 CG GLN A 40 10.998 2.281 1.235 1.00 0.00 C ATOM 662 CD GLN A 40 12.103 2.458 0.193 1.00 0.00 C ATOM 663 OE1 GLN A 40 12.243 1.637 -0.716 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.898 3.487 0.271 1.00 0.00 N ATOM 0 H GLN A 40 9.399 4.635 1.554 1.00 0.00 H new ATOM 0 HA GLN A 40 9.952 3.563 -1.130 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.844 2.099 1.330 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.556 1.366 -0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.032 3.104 1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.168 1.363 1.798 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.781 4.166 1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.637 3.614 -0.420 1.00 0.00 H new ATOM 673 N SER A 41 7.101 4.574 -0.383 1.00 0.00 N ATOM 674 CA SER A 41 5.664 4.625 -0.736 1.00 0.00 C ATOM 675 C SER A 41 5.391 4.101 -2.153 1.00 0.00 C ATOM 676 O SER A 41 4.451 3.327 -2.364 1.00 0.00 O ATOM 677 CB SER A 41 5.133 6.058 -0.611 1.00 0.00 C ATOM 678 OG SER A 41 5.431 6.565 0.681 1.00 0.00 O ATOM 0 H SER A 41 7.449 5.408 0.091 1.00 0.00 H new ATOM 0 HA SER A 41 5.144 3.974 -0.033 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.584 6.692 -1.374 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.056 6.074 -0.779 1.00 0.00 H new ATOM 0 HG SER A 41 6.251 7.100 0.641 1.00 0.00 H new ATOM 684 N ALA A 42 6.220 4.505 -3.112 1.00 0.00 N ATOM 685 CA ALA A 42 6.053 4.048 -4.490 1.00 0.00 C ATOM 686 C ALA A 42 6.289 2.538 -4.587 1.00 0.00 C ATOM 687 O ALA A 42 5.511 1.812 -5.223 1.00 0.00 O ATOM 688 CB ALA A 42 7.036 4.785 -5.407 1.00 0.00 C ATOM 0 H ALA A 42 7.005 5.140 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 42 5.032 4.264 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.906 4.439 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.845 5.857 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.057 4.583 -5.083 1.00 0.00 H new ATOM 694 N ASN A 43 7.373 2.075 -3.955 1.00 0.00 N ATOM 695 CA ASN A 43 7.728 0.654 -3.972 1.00 0.00 C ATOM 696 C ASN A 43 6.674 -0.190 -3.260 1.00 0.00 C ATOM 697 O ASN A 43 6.299 -1.252 -3.748 1.00 0.00 O ATOM 698 CB ASN A 43 9.089 0.439 -3.290 1.00 0.00 C ATOM 699 CG ASN A 43 10.207 1.175 -4.034 1.00 0.00 C ATOM 700 OD1 ASN A 43 10.047 1.569 -5.191 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.344 1.380 -3.429 1.00 0.00 N ATOM 0 H ASN A 43 8.018 2.663 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 43 7.782 0.340 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.042 0.792 -2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.315 -0.627 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.099 1.866 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.478 1.055 -2.472 1.00 0.00 H new ATOM 708 N LEU A 44 6.216 0.285 -2.100 1.00 0.00 N ATOM 709 CA LEU A 44 5.217 -0.439 -1.310 1.00 0.00 C ATOM 710 C LEU A 44 3.938 -0.670 -2.120 1.00 0.00 C ATOM 711 O LEU A 44 3.372 -1.762 -2.083 1.00 0.00 O ATOM 712 CB LEU A 44 4.878 0.349 -0.046 1.00 0.00 C ATOM 713 CG LEU A 44 6.125 0.524 0.852 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.809 1.499 1.995 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.547 -0.826 1.449 1.00 0.00 C ATOM 0 H LEU A 44 6.520 1.167 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 44 5.639 -1.407 -1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.482 1.327 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.095 -0.168 0.510 1.00 0.00 H new ATOM 0 HG LEU A 44 6.938 0.918 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.690 1.619 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.525 2.466 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.987 1.105 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.426 -0.687 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.731 -1.230 2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.784 -1.522 0.644 1.00 0.00 H new ATOM 727 N LEU A 45 3.493 0.359 -2.858 1.00 0.00 N ATOM 728 CA LEU A 45 2.282 0.239 -3.688 1.00 0.00 C ATOM 729 C LEU A 45 2.477 -0.864 -4.731 1.00 0.00 C ATOM 730 O LEU A 45 1.647 -1.771 -4.860 1.00 0.00 O ATOM 731 CB LEU A 45 1.993 1.589 -4.374 1.00 0.00 C ATOM 732 CG LEU A 45 0.962 1.435 -5.521 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.358 0.849 -4.995 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.689 2.810 -6.148 1.00 0.00 C ATOM 0 H LEU A 45 3.946 1.272 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 45 1.431 -0.025 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.616 2.299 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.920 2.003 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 45 1.373 0.756 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.066 0.750 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.172 -0.132 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.774 1.512 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.036 2.704 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.291 3.484 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.618 3.219 -6.546 1.00 0.00 H new ATOM 746 N ALA A 46 3.595 -0.781 -5.449 1.00 0.00 N ATOM 747 CA ALA A 46 3.927 -1.783 -6.471 1.00 0.00 C ATOM 748 C ALA A 46 4.063 -3.165 -5.822 1.00 0.00 C ATOM 749 O ALA A 46 3.582 -4.173 -6.355 1.00 0.00 O ATOM 750 CB ALA A 46 5.244 -1.408 -7.161 1.00 0.00 C ATOM 0 H ALA A 46 4.285 -0.037 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 46 3.128 -1.811 -7.212 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.484 -2.155 -7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.141 -0.432 -7.635 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.044 -1.370 -6.422 1.00 0.00 H new ATOM 756 N GLU A 47 4.703 -3.182 -4.653 1.00 0.00 N ATOM 757 CA GLU A 47 4.904 -4.410 -3.891 1.00 0.00 C ATOM 758 C GLU A 47 3.560 -5.012 -3.485 1.00 0.00 C ATOM 759 O GLU A 47 3.401 -6.235 -3.466 1.00 0.00 O ATOM 760 CB GLU A 47 5.738 -4.104 -2.635 1.00 0.00 C ATOM 761 CG GLU A 47 7.231 -3.991 -2.996 1.00 0.00 C ATOM 762 CD GLU A 47 7.798 -5.360 -3.396 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.781 -6.258 -2.567 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.243 -5.490 -4.528 1.00 0.00 O ATOM 0 H GLU A 47 5.094 -2.350 -4.211 1.00 0.00 H new ATOM 0 HA GLU A 47 5.434 -5.130 -4.515 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.396 -3.174 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.595 -4.891 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.359 -3.285 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.787 -3.596 -2.146 1.00 0.00 H new ATOM 771 N ALA A 48 2.596 -4.145 -3.165 1.00 0.00 N ATOM 772 CA ALA A 48 1.266 -4.602 -2.768 1.00 0.00 C ATOM 773 C ALA A 48 0.611 -5.338 -3.927 1.00 0.00 C ATOM 774 O ALA A 48 -0.001 -6.393 -3.742 1.00 0.00 O ATOM 775 CB ALA A 48 0.399 -3.410 -2.356 1.00 0.00 C ATOM 0 H ALA A 48 2.712 -3.132 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 48 1.363 -5.278 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.589 -3.763 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.865 -2.895 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.304 -2.722 -3.196 1.00 0.00 H new ATOM 781 N LYS A 49 0.762 -4.773 -5.126 1.00 0.00 N ATOM 782 CA LYS A 49 0.200 -5.378 -6.325 1.00 0.00 C ATOM 783 C LYS A 49 0.866 -6.731 -6.580 1.00 0.00 C ATOM 784 O LYS A 49 0.216 -7.677 -7.032 1.00 0.00 O ATOM 785 CB LYS A 49 0.417 -4.453 -7.529 1.00 0.00 C ATOM 786 CG LYS A 49 -0.760 -4.587 -8.505 1.00 0.00 C ATOM 787 CD LYS A 49 -0.386 -3.963 -9.858 1.00 0.00 C ATOM 788 CE LYS A 49 -1.604 -3.255 -10.466 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.291 -2.841 -11.863 1.00 0.00 N ATOM 0 H LYS A 49 1.267 -3.902 -5.288 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.870 -5.527 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.508 -3.420 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.350 -4.708 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.017 -5.638 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.641 -4.092 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.430 -3.252 -9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.028 -4.736 -10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.467 -3.921 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.868 -2.383 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.116 -2.361 -12.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.479 -2.192 -11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.059 -3.681 -12.430 1.00 0.00 H new ATOM 803 N LYS A 50 2.170 -6.807 -6.277 1.00 0.00 N ATOM 804 CA LYS A 50 2.935 -8.041 -6.461 1.00 0.00 C ATOM 805 C LYS A 50 2.331 -9.168 -5.621 1.00 0.00 C ATOM 806 O LYS A 50 2.154 -10.289 -6.108 1.00 0.00 O ATOM 807 CB LYS A 50 4.389 -7.804 -6.040 1.00 0.00 C ATOM 808 CG LYS A 50 5.260 -9.001 -6.454 1.00 0.00 C ATOM 809 CD LYS A 50 6.738 -8.689 -6.167 1.00 0.00 C ATOM 810 CE LYS A 50 7.040 -8.868 -4.673 1.00 0.00 C ATOM 811 NZ LYS A 50 8.399 -8.335 -4.375 1.00 0.00 N ATOM 0 H LYS A 50 2.713 -6.028 -5.904 1.00 0.00 H new ATOM 0 HA LYS A 50 2.900 -8.330 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.766 -6.892 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.445 -7.660 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.954 -9.893 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.122 -9.214 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.377 -9.348 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.967 -7.668 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.293 -8.346 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.984 -9.923 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.361 -7.746 -3.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.056 -9.126 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.730 -7.760 -5.176 1.00 0.00 H new ATOM 825 N LEU A 51 2.002 -8.847 -4.364 1.00 0.00 N ATOM 826 CA LEU A 51 1.393 -9.820 -3.454 1.00 0.00 C ATOM 827 C LEU A 51 0.060 -10.303 -4.024 1.00 0.00 C ATOM 828 O LEU A 51 -0.222 -11.503 -4.032 1.00 0.00 O ATOM 829 CB LEU A 51 1.179 -9.178 -2.070 1.00 0.00 C ATOM 830 CG LEU A 51 2.535 -8.938 -1.380 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.312 -8.191 -0.058 1.00 0.00 C ATOM 832 CD2 LEU A 51 3.227 -10.283 -1.093 1.00 0.00 C ATOM 0 H LEU A 51 2.147 -7.923 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 51 2.059 -10.676 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.645 -8.234 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.558 -9.827 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 51 3.167 -8.342 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.272 -8.021 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.832 -7.233 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.674 -8.788 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.185 -10.103 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.595 -10.885 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.392 -10.815 -2.030 1.00 0.00 H new ATOM 844 N ASN A 52 -0.743 -9.354 -4.517 1.00 0.00 N ATOM 845 CA ASN A 52 -2.041 -9.674 -5.116 1.00 0.00 C ATOM 846 C ASN A 52 -1.862 -10.592 -6.326 1.00 0.00 C ATOM 847 O ASN A 52 -2.553 -11.605 -6.453 1.00 0.00 O ATOM 848 CB ASN A 52 -2.742 -8.372 -5.540 1.00 0.00 C ATOM 849 CG ASN A 52 -3.945 -8.652 -6.446 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.087 -8.980 -5.918 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.836 -8.568 -7.670 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.516 -8.360 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.654 -10.194 -4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.071 -7.829 -4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.033 -7.729 -6.062 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.941 -8.311 -8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.641 -8.756 -8.268 1.00 0.00 H new ATOM 858 N ASP A 53 -0.938 -10.214 -7.209 1.00 0.00 N ATOM 859 CA ASP A 53 -0.668 -10.991 -8.419 1.00 0.00 C ATOM 860 C ASP A 53 -0.190 -12.401 -8.081 1.00 0.00 C ATOM 861 O ASP A 53 -0.536 -13.360 -8.776 1.00 0.00 O ATOM 862 CB ASP A 53 0.397 -10.277 -9.262 1.00 0.00 C ATOM 863 CG ASP A 53 0.579 -10.983 -10.610 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.195 -10.706 -11.513 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.487 -11.794 -10.717 1.00 0.00 O ATOM 0 H ASP A 53 -0.365 -9.376 -7.110 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.597 -11.073 -8.983 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.105 -9.240 -9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.344 -10.260 -8.723 1.00 0.00 H new ATOM 870 N ALA A 54 0.628 -12.513 -7.033 1.00 0.00 N ATOM 871 CA ALA A 54 1.176 -13.807 -6.639 1.00 0.00 C ATOM 872 C ALA A 54 0.141 -14.681 -5.916 1.00 0.00 C ATOM 873 O ALA A 54 -0.052 -15.846 -6.274 1.00 0.00 O ATOM 874 CB ALA A 54 2.393 -13.597 -5.732 1.00 0.00 C ATOM 0 H ALA A 54 0.922 -11.730 -6.448 1.00 0.00 H new ATOM 0 HA ALA A 54 1.469 -14.329 -7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.800 -14.565 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.154 -13.031 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.092 -13.046 -4.841 1.00 0.00 H new ATOM 880 N GLN A 55 -0.502 -14.117 -4.888 1.00 0.00 N ATOM 881 CA GLN A 55 -1.502 -14.853 -4.100 1.00 0.00 C ATOM 882 C GLN A 55 -2.735 -15.212 -4.932 1.00 0.00 C ATOM 883 O GLN A 55 -3.417 -16.196 -4.635 1.00 0.00 O ATOM 884 CB GLN A 55 -1.935 -14.026 -2.879 1.00 0.00 C ATOM 885 CG GLN A 55 -0.752 -13.838 -1.921 1.00 0.00 C ATOM 886 CD GLN A 55 -1.074 -12.717 -0.943 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.327 -11.527 -1.410 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -1.104 -12.929 0.269 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.350 -13.156 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.032 -15.780 -3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.309 -13.054 -3.202 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.754 -14.527 -2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.556 -14.764 -1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.151 -13.599 -2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.905 -13.863 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.328 -12.171 0.914 1.00 0.00 H new ATOM 897 N ALA A 56 -3.028 -14.400 -5.955 1.00 0.00 N ATOM 898 CA ALA A 56 -4.198 -14.630 -6.810 1.00 0.00 C ATOM 899 C ALA A 56 -4.171 -16.035 -7.433 1.00 0.00 C ATOM 900 O ALA A 56 -3.098 -16.558 -7.749 1.00 0.00 O ATOM 901 CB ALA A 56 -4.250 -13.578 -7.925 1.00 0.00 C ATOM 0 H ALA A 56 -2.474 -13.582 -6.210 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.087 -14.549 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.122 -13.757 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.319 -12.584 -7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.346 -13.644 -8.530 1.00 0.00 H new ATOM 907 N PRO A 57 -5.329 -16.648 -7.617 1.00 0.00 N ATOM 908 CA PRO A 57 -5.438 -18.016 -8.216 1.00 0.00 C ATOM 909 C PRO A 57 -4.994 -18.032 -9.680 1.00 0.00 C ATOM 910 O PRO A 57 -4.885 -16.981 -10.313 1.00 0.00 O ATOM 911 CB PRO A 57 -6.926 -18.372 -8.079 1.00 0.00 C ATOM 912 CG PRO A 57 -7.639 -17.068 -7.935 1.00 0.00 C ATOM 913 CD PRO A 57 -6.658 -16.103 -7.279 1.00 0.00 C ATOM 0 HA PRO A 57 -4.789 -18.735 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.280 -18.918 -8.953 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.098 -19.011 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.960 -16.693 -8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.536 -17.182 -7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.781 -15.090 -7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.806 -16.057 -6.200 1.00 0.00 H new ATOM 921 N LYS A 58 -4.752 -19.246 -10.201 1.00 0.00 N ATOM 922 CA LYS A 58 -4.319 -19.462 -11.592 1.00 0.00 C ATOM 923 C LYS A 58 -2.863 -19.019 -11.793 1.00 0.00 C ATOM 924 O LYS A 58 -2.569 -17.861 -11.544 1.00 0.00 O ATOM 925 CB LYS A 58 -5.235 -18.722 -12.588 1.00 0.00 C ATOM 926 CG LYS A 58 -5.097 -19.362 -13.972 1.00 0.00 C ATOM 927 CD LYS A 58 -6.068 -18.698 -14.965 1.00 0.00 C ATOM 928 CE LYS A 58 -5.627 -17.257 -15.273 1.00 0.00 C ATOM 929 NZ LYS A 58 -4.288 -17.270 -15.933 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.062 -19.847 -12.199 1.00 0.00 O ATOM 0 H LYS A 58 -4.852 -20.109 -9.667 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.390 -20.532 -11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.271 -18.772 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.965 -17.667 -12.634 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.072 -19.257 -14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.304 -20.430 -13.909 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.106 -19.277 -15.887 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.076 -18.695 -14.549 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.358 -16.774 -15.921 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.584 -16.675 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.161 -16.394 -16.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.545 -17.338 -15.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.224 -18.088 -16.572 1.00 0.00 H new