USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 Single : A 10 LYS NZ :NH3+ -167:sc= -0.228 (180deg=-0.814) USER MOD Single : A 15 TYR OH : rot -55:sc= -1.84! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 24 THR OG1 : rot -67:sc= 0.449 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0826 USER MOD Single : A 32 GLN : amide:sc= -0.201 K(o=-0.2,f=-1) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 145:sc= -0.151 (180deg=-0.957) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.319 (180deg=-1.18!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.12 F(o=-2!,f=-0.12) USER MOD Single : A 56 SER OG : rot 68:sc= 0.482! USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0384 F(o=-0.55,f=-0.038) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -6.569 -6.165 -8.816 1.00 0.66 N ATOM 103 CA ALA A 8 -5.694 -6.827 -7.809 1.00 0.61 C ATOM 104 C ALA A 8 -6.429 -6.994 -6.478 1.00 0.50 C ATOM 105 O ALA A 8 -7.365 -6.276 -6.193 1.00 0.79 O ATOM 106 CB ALA A 8 -4.460 -5.944 -7.583 1.00 0.64 C ATOM 0 HA ALA A 8 -5.409 -7.812 -8.178 1.00 0.61 H new ATOM 0 HB1 ALA A 8 -3.807 -6.413 -6.847 1.00 0.64 H new ATOM 0 HB2 ALA A 8 -3.921 -5.824 -8.523 1.00 0.64 H new ATOM 0 HB3 ALA A 8 -4.774 -4.966 -7.218 1.00 0.64 H new ATOM 112 N VAL A 9 -5.977 -7.936 -5.689 1.00 0.19 N ATOM 113 CA VAL A 9 -6.623 -8.180 -4.372 1.00 0.14 C ATOM 114 C VAL A 9 -5.648 -7.881 -3.238 1.00 0.19 C ATOM 115 O VAL A 9 -4.617 -7.276 -3.435 1.00 0.48 O ATOM 116 CB VAL A 9 -6.990 -9.673 -4.299 1.00 0.41 C ATOM 117 CG1 VAL A 9 -8.377 -9.826 -3.686 1.00 1.88 C ATOM 118 CG2 VAL A 9 -6.998 -10.266 -5.709 1.00 2.29 C ATOM 0 H VAL A 9 -5.188 -8.545 -5.904 1.00 0.19 H new ATOM 0 HA VAL A 9 -7.500 -7.540 -4.273 1.00 0.14 H new ATOM 0 HB VAL A 9 -6.257 -10.195 -3.685 1.00 0.41 H new ATOM 0 HG11 VAL A 9 -8.637 -10.883 -3.634 1.00 1.88 H new ATOM 0 HG12 VAL A 9 -8.380 -9.402 -2.682 1.00 1.88 H new ATOM 0 HG13 VAL A 9 -9.107 -9.302 -4.303 1.00 1.88 H new ATOM 0 HG21 VAL A 9 -7.258 -11.323 -5.658 1.00 2.29 H new ATOM 0 HG22 VAL A 9 -7.732 -9.741 -6.320 1.00 2.29 H new ATOM 0 HG23 VAL A 9 -6.010 -10.157 -6.155 1.00 2.29 H new ATOM 128 N LYS A 10 -6.013 -8.318 -2.075 1.00 0.14 N ATOM 129 CA LYS A 10 -5.162 -8.104 -0.875 1.00 0.12 C ATOM 130 C LYS A 10 -5.526 -9.180 0.151 1.00 0.11 C ATOM 131 O LYS A 10 -6.320 -8.951 1.041 1.00 0.13 O ATOM 132 CB LYS A 10 -5.450 -6.720 -0.276 1.00 0.26 C ATOM 133 CG LYS A 10 -4.377 -6.399 0.777 1.00 0.40 C ATOM 134 CD LYS A 10 -3.159 -5.741 0.104 1.00 1.85 C ATOM 135 CE LYS A 10 -2.134 -5.299 1.161 1.00 1.28 C ATOM 136 NZ LYS A 10 -2.807 -4.820 2.402 1.00 1.61 N ATOM 0 H LYS A 10 -6.881 -8.824 -1.898 1.00 0.14 H new ATOM 0 HA LYS A 10 -4.107 -8.162 -1.143 1.00 0.12 H new ATOM 0 HB2 LYS A 10 -5.447 -5.962 -1.060 1.00 0.26 H new ATOM 0 HB3 LYS A 10 -6.441 -6.705 0.179 1.00 0.26 H new ATOM 0 HG2 LYS A 10 -4.788 -5.733 1.535 1.00 0.40 H new ATOM 0 HG3 LYS A 10 -4.072 -7.313 1.287 1.00 0.40 H new ATOM 0 HD2 LYS A 10 -2.696 -6.443 -0.589 1.00 1.85 H new ATOM 0 HD3 LYS A 10 -3.481 -4.880 -0.482 1.00 1.85 H new ATOM 0 HE2 LYS A 10 -1.474 -6.133 1.401 1.00 1.28 H new ATOM 0 HE3 LYS A 10 -1.509 -4.504 0.754 1.00 1.28 H new ATOM 0 HZ1 LYS A 10 -2.116 -4.328 3.004 1.00 1.61 H new ATOM 0 HZ2 LYS A 10 -3.574 -4.165 2.150 1.00 1.61 H new ATOM 0 HZ3 LYS A 10 -3.201 -5.632 2.919 1.00 1.61 H new ATOM 150 N ALA A 11 -4.937 -10.334 -0.002 1.00 0.11 N ATOM 151 CA ALA A 11 -5.228 -11.452 0.940 1.00 0.11 C ATOM 152 C ALA A 11 -5.342 -10.990 2.384 1.00 0.09 C ATOM 153 O ALA A 11 -4.408 -10.469 2.959 1.00 0.12 O ATOM 154 CB ALA A 11 -4.106 -12.484 0.838 1.00 0.14 C ATOM 0 H ALA A 11 -4.266 -10.551 -0.739 1.00 0.11 H new ATOM 0 HA ALA A 11 -6.191 -11.878 0.657 1.00 0.11 H new ATOM 0 HB1 ALA A 11 -4.306 -13.308 1.523 1.00 0.14 H new ATOM 0 HB2 ALA A 11 -4.053 -12.864 -0.182 1.00 0.14 H new ATOM 0 HB3 ALA A 11 -3.157 -12.017 1.101 1.00 0.14 H new ATOM 160 N LEU A 12 -6.501 -11.202 2.938 1.00 0.11 N ATOM 161 CA LEU A 12 -6.724 -10.795 4.341 1.00 0.18 C ATOM 162 C LEU A 12 -6.262 -11.922 5.247 1.00 0.24 C ATOM 163 O LEU A 12 -5.868 -11.704 6.368 1.00 0.38 O ATOM 164 CB LEU A 12 -8.235 -10.575 4.598 1.00 0.20 C ATOM 165 CG LEU A 12 -8.927 -10.005 3.349 1.00 0.21 C ATOM 166 CD1 LEU A 12 -10.441 -10.031 3.566 1.00 0.22 C ATOM 167 CD2 LEU A 12 -8.471 -8.561 3.134 1.00 0.29 C ATOM 0 H LEU A 12 -7.299 -11.639 2.477 1.00 0.11 H new ATOM 0 HA LEU A 12 -6.176 -9.873 4.537 1.00 0.18 H new ATOM 0 HB2 LEU A 12 -8.702 -11.519 4.878 1.00 0.20 H new ATOM 0 HB3 LEU A 12 -8.370 -9.892 5.437 1.00 0.20 H new ATOM 0 HG LEU A 12 -8.668 -10.603 2.475 1.00 0.21 H new ATOM 0 HD11 LEU A 12 -10.942 -9.629 2.685 1.00 0.22 H new ATOM 0 HD12 LEU A 12 -10.767 -11.058 3.731 1.00 0.22 H new ATOM 0 HD13 LEU A 12 -10.694 -9.425 4.436 1.00 0.22 H new ATOM 0 HD21 LEU A 12 -8.960 -8.153 2.249 1.00 0.29 H new ATOM 0 HD22 LEU A 12 -8.738 -7.962 4.005 1.00 0.29 H new ATOM 0 HD23 LEU A 12 -7.390 -8.538 2.995 1.00 0.29 H new ATOM 179 N PHE A 13 -6.347 -13.122 4.731 1.00 0.26 N ATOM 180 CA PHE A 13 -5.921 -14.312 5.527 1.00 0.46 C ATOM 181 C PHE A 13 -4.572 -14.836 5.021 1.00 0.33 C ATOM 182 O PHE A 13 -4.085 -14.401 3.996 1.00 0.39 O ATOM 183 CB PHE A 13 -6.969 -15.432 5.337 1.00 0.80 C ATOM 184 CG PHE A 13 -8.357 -15.082 5.934 1.00 0.73 C ATOM 185 CD1 PHE A 13 -8.629 -13.856 6.540 1.00 0.78 C ATOM 186 CD2 PHE A 13 -9.387 -16.008 5.835 1.00 0.94 C ATOM 187 CE1 PHE A 13 -9.885 -13.574 7.018 1.00 0.91 C ATOM 188 CE2 PHE A 13 -10.644 -15.718 6.323 1.00 1.24 C ATOM 189 CZ PHE A 13 -10.893 -14.501 6.914 1.00 1.18 C ATOM 0 H PHE A 13 -6.693 -13.329 3.794 1.00 0.26 H new ATOM 0 HA PHE A 13 -5.832 -14.025 6.575 1.00 0.46 H new ATOM 0 HB2 PHE A 13 -7.081 -15.638 4.273 1.00 0.80 H new ATOM 0 HB3 PHE A 13 -6.601 -16.347 5.802 1.00 0.80 H new ATOM 0 HD1 PHE A 13 -7.844 -13.121 6.634 1.00 0.78 H new ATOM 0 HD2 PHE A 13 -9.202 -16.965 5.371 1.00 0.94 H new ATOM 0 HE1 PHE A 13 -10.081 -12.617 7.479 1.00 0.91 H new ATOM 0 HE2 PHE A 13 -11.435 -16.449 6.241 1.00 1.24 H new ATOM 0 HZ PHE A 13 -11.878 -14.275 7.295 1.00 1.18 H new ATOM 199 N ASP A 14 -4.003 -15.762 5.755 1.00 0.29 N ATOM 200 CA ASP A 14 -2.686 -16.338 5.348 1.00 0.37 C ATOM 201 C ASP A 14 -2.857 -17.786 4.892 1.00 0.47 C ATOM 202 O ASP A 14 -3.417 -18.598 5.598 1.00 0.83 O ATOM 203 CB ASP A 14 -1.748 -16.311 6.559 1.00 0.50 C ATOM 204 CG ASP A 14 -2.585 -16.292 7.840 1.00 0.41 C ATOM 205 OD1 ASP A 14 -3.554 -17.032 7.866 1.00 1.73 O ATOM 206 OD2 ASP A 14 -2.209 -15.535 8.720 1.00 2.26 O ATOM 0 H ASP A 14 -4.394 -16.142 6.617 1.00 0.29 H new ATOM 0 HA ASP A 14 -2.276 -15.752 4.526 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -1.096 -17.184 6.549 1.00 0.50 H new ATOM 0 HB3 ASP A 14 -1.105 -15.432 6.517 1.00 0.50 H new ATOM 211 N TYR A 15 -2.367 -18.075 3.718 1.00 0.37 N ATOM 212 CA TYR A 15 -2.486 -19.459 3.183 1.00 0.35 C ATOM 213 C TYR A 15 -1.178 -20.229 3.335 1.00 0.39 C ATOM 214 O TYR A 15 -0.159 -19.673 3.693 1.00 0.45 O ATOM 215 CB TYR A 15 -2.778 -19.351 1.683 1.00 0.33 C ATOM 216 CG TYR A 15 -3.448 -20.631 1.183 1.00 0.37 C ATOM 217 CD1 TYR A 15 -2.707 -21.759 0.888 1.00 0.40 C ATOM 218 CD2 TYR A 15 -4.815 -20.693 1.097 1.00 0.40 C ATOM 219 CE1 TYR A 15 -3.312 -22.925 0.535 1.00 0.45 C ATOM 220 CE2 TYR A 15 -5.442 -21.868 0.734 1.00 0.44 C ATOM 221 CZ TYR A 15 -4.689 -23.002 0.456 1.00 0.46 C ATOM 222 OH TYR A 15 -5.305 -24.203 0.173 1.00 0.51 O ATOM 0 H TYR A 15 -1.890 -17.412 3.107 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.272 -19.980 3.730 1.00 0.35 H new ATOM 0 HB2 TYR A 15 -3.425 -18.495 1.492 1.00 0.33 H new ATOM 0 HB3 TYR A 15 -1.851 -19.179 1.136 1.00 0.33 H new ATOM 0 HD1 TYR A 15 -1.629 -21.714 0.939 1.00 0.40 H new ATOM 0 HD2 TYR A 15 -5.406 -19.816 1.315 1.00 0.40 H new ATOM 0 HE1 TYR A 15 -2.712 -23.796 0.315 1.00 0.45 H new ATOM 0 HE2 TYR A 15 -6.519 -21.906 0.666 1.00 0.44 H new ATOM 0 HH TYR A 15 -4.948 -24.564 -0.665 1.00 0.51 H new ATOM 232 N LYS A 16 -1.245 -21.500 3.054 1.00 0.37 N ATOM 233 CA LYS A 16 -0.030 -22.347 3.159 1.00 0.37 C ATOM 234 C LYS A 16 -0.017 -23.480 2.127 1.00 0.31 C ATOM 235 O LYS A 16 -0.294 -24.621 2.437 1.00 0.24 O ATOM 236 CB LYS A 16 0.042 -22.950 4.563 1.00 0.42 C ATOM 237 CG LYS A 16 0.666 -21.928 5.513 1.00 1.79 C ATOM 238 CD LYS A 16 0.941 -22.598 6.861 1.00 1.92 C ATOM 239 CE LYS A 16 0.923 -21.537 7.960 1.00 2.93 C ATOM 240 NZ LYS A 16 1.223 -22.152 9.284 1.00 3.10 N ATOM 0 H LYS A 16 -2.090 -21.987 2.756 1.00 0.37 H new ATOM 0 HA LYS A 16 0.833 -21.710 2.963 1.00 0.37 H new ATOM 0 HB2 LYS A 16 -0.956 -23.223 4.907 1.00 0.42 H new ATOM 0 HB3 LYS A 16 0.636 -23.864 4.550 1.00 0.42 H new ATOM 0 HG2 LYS A 16 1.593 -21.539 5.091 1.00 1.79 H new ATOM 0 HG3 LYS A 16 -0.005 -21.079 5.645 1.00 1.79 H new ATOM 0 HD2 LYS A 16 0.189 -23.361 7.062 1.00 1.92 H new ATOM 0 HD3 LYS A 16 1.908 -23.102 6.840 1.00 1.92 H new ATOM 0 HE2 LYS A 16 1.657 -20.762 7.738 1.00 2.93 H new ATOM 0 HE3 LYS A 16 -0.053 -21.053 7.990 1.00 2.93 H new ATOM 0 HZ1 LYS A 16 1.207 -21.417 10.020 1.00 3.10 H new ATOM 0 HZ2 LYS A 16 0.508 -22.875 9.501 1.00 3.10 H new ATOM 0 HZ3 LYS A 16 2.164 -22.594 9.256 1.00 3.10 H new ATOM 254 N ALA A 17 0.313 -23.121 0.915 1.00 0.62 N ATOM 255 CA ALA A 17 0.374 -24.131 -0.190 1.00 0.61 C ATOM 256 C ALA A 17 1.701 -23.984 -0.885 1.00 0.58 C ATOM 257 O ALA A 17 2.465 -24.917 -1.030 1.00 0.69 O ATOM 258 CB ALA A 17 -0.683 -23.866 -1.266 1.00 0.55 C ATOM 0 H ALA A 17 0.545 -22.167 0.638 1.00 0.62 H new ATOM 0 HA ALA A 17 0.217 -25.114 0.254 1.00 0.61 H new ATOM 0 HB1 ALA A 17 -0.604 -24.621 -2.048 1.00 0.55 H new ATOM 0 HB2 ALA A 17 -1.676 -23.910 -0.819 1.00 0.55 H new ATOM 0 HB3 ALA A 17 -0.523 -22.878 -1.698 1.00 0.55 H new ATOM 264 N GLN A 18 1.904 -22.773 -1.303 1.00 0.49 N ATOM 265 CA GLN A 18 3.156 -22.390 -2.024 1.00 0.53 C ATOM 266 C GLN A 18 3.023 -22.726 -3.498 1.00 0.44 C ATOM 267 O GLN A 18 3.362 -21.933 -4.354 1.00 0.53 O ATOM 268 CB GLN A 18 4.357 -23.159 -1.450 1.00 0.68 C ATOM 269 CG GLN A 18 5.641 -22.373 -1.753 1.00 0.66 C ATOM 270 CD GLN A 18 6.836 -23.327 -1.739 1.00 1.50 C ATOM 271 OE1 GLN A 18 7.074 -24.057 -2.794 1.00 1.61 O flip ATOM 272 NE2 GLN A 18 7.565 -23.413 -0.769 1.00 2.76 N flip ATOM 0 H GLN A 18 1.241 -22.008 -1.175 1.00 0.49 H new ATOM 0 HA GLN A 18 3.314 -21.319 -1.898 1.00 0.53 H new ATOM 0 HB2 GLN A 18 4.241 -23.291 -0.374 1.00 0.68 H new ATOM 0 HB3 GLN A 18 4.412 -24.155 -1.889 1.00 0.68 H new ATOM 0 HG2 GLN A 18 5.562 -21.886 -2.725 1.00 0.66 H new ATOM 0 HG3 GLN A 18 5.782 -21.585 -1.013 1.00 0.66 H new ATOM 0 HE21 GLN A 18 7.383 -22.844 0.058 1.00 2.76 H new ATOM 0 HE22 GLN A 18 8.358 -24.054 -0.783 1.00 2.76 H new ATOM 281 N ARG A 19 2.516 -23.894 -3.761 1.00 0.38 N ATOM 282 CA ARG A 19 2.342 -24.315 -5.176 1.00 0.29 C ATOM 283 C ARG A 19 1.614 -25.648 -5.230 1.00 0.18 C ATOM 284 O ARG A 19 2.172 -26.648 -5.636 1.00 0.43 O ATOM 285 CB ARG A 19 3.728 -24.457 -5.842 1.00 0.68 C ATOM 286 CG ARG A 19 4.585 -25.493 -5.103 1.00 1.86 C ATOM 287 CD ARG A 19 5.110 -26.511 -6.121 1.00 1.90 C ATOM 288 NE ARG A 19 5.754 -25.774 -7.248 1.00 1.02 N ATOM 289 CZ ARG A 19 6.527 -26.416 -8.081 1.00 1.52 C ATOM 290 NH1 ARG A 19 7.731 -26.744 -7.698 1.00 1.63 N ATOM 291 NH2 ARG A 19 6.071 -26.711 -9.269 1.00 2.08 N ATOM 0 H ARG A 19 2.216 -24.573 -3.062 1.00 0.38 H new ATOM 0 HA ARG A 19 1.756 -23.565 -5.707 1.00 0.29 H new ATOM 0 HB2 ARG A 19 3.607 -24.755 -6.883 1.00 0.68 H new ATOM 0 HB3 ARG A 19 4.236 -23.493 -5.843 1.00 0.68 H new ATOM 0 HG2 ARG A 19 5.416 -25.003 -4.595 1.00 1.86 H new ATOM 0 HG3 ARG A 19 3.994 -25.995 -4.337 1.00 1.86 H new ATOM 0 HD2 ARG A 19 5.828 -27.181 -5.649 1.00 1.90 H new ATOM 0 HD3 ARG A 19 4.293 -27.130 -6.492 1.00 1.90 H new ATOM 0 HE ARG A 19 5.591 -24.774 -7.367 1.00 1.02 H new ATOM 0 HH11 ARG A 19 8.053 -26.498 -6.762 1.00 1.63 H new ATOM 0 HH12 ARG A 19 8.350 -27.246 -8.335 1.00 1.63 H new ATOM 0 HH21 ARG A 19 5.124 -26.440 -9.534 1.00 2.08 H new ATOM 0 HH22 ARG A 19 6.662 -27.212 -9.932 1.00 2.08 H new ATOM 305 N GLU A 20 0.367 -25.628 -4.838 1.00 0.46 N ATOM 306 CA GLU A 20 -0.418 -26.904 -4.859 1.00 0.72 C ATOM 307 C GLU A 20 -1.579 -26.777 -5.819 1.00 0.76 C ATOM 308 O GLU A 20 -2.348 -27.693 -5.991 1.00 1.28 O ATOM 309 CB GLU A 20 -0.963 -27.163 -3.437 1.00 0.70 C ATOM 310 CG GLU A 20 -2.335 -26.485 -3.244 1.00 0.23 C ATOM 311 CD GLU A 20 -3.476 -27.379 -3.753 1.00 0.45 C ATOM 312 OE1 GLU A 20 -3.220 -28.561 -3.914 1.00 1.20 O ATOM 313 OE2 GLU A 20 -4.543 -26.823 -3.950 1.00 0.16 O ATOM 0 H GLU A 20 -0.136 -24.804 -4.510 1.00 0.46 H new ATOM 0 HA GLU A 20 0.221 -27.727 -5.180 1.00 0.72 H new ATOM 0 HB2 GLU A 20 -1.056 -28.236 -3.268 1.00 0.70 H new ATOM 0 HB3 GLU A 20 -0.258 -26.784 -2.698 1.00 0.70 H new ATOM 0 HG2 GLU A 20 -2.488 -26.263 -2.188 1.00 0.23 H new ATOM 0 HG3 GLU A 20 -2.351 -25.534 -3.776 1.00 0.23 H new ATOM 320 N ASP A 21 -1.567 -25.645 -6.462 1.00 0.74 N ATOM 321 CA ASP A 21 -2.585 -25.225 -7.463 1.00 0.64 C ATOM 322 C ASP A 21 -3.124 -23.975 -6.784 1.00 0.76 C ATOM 323 O ASP A 21 -3.800 -23.140 -7.339 1.00 1.99 O ATOM 324 CB ASP A 21 -3.708 -26.270 -7.646 1.00 0.59 C ATOM 325 CG ASP A 21 -3.147 -27.499 -8.366 1.00 0.12 C ATOM 326 OD1 ASP A 21 -2.334 -27.284 -9.250 1.00 0.13 O ATOM 327 OD2 ASP A 21 -3.565 -28.583 -7.993 1.00 0.38 O ATOM 0 H ASP A 21 -0.838 -24.946 -6.321 1.00 0.74 H new ATOM 0 HA ASP A 21 -2.186 -25.087 -8.468 1.00 0.64 H new ATOM 0 HB2 ASP A 21 -4.114 -26.557 -6.676 1.00 0.59 H new ATOM 0 HB3 ASP A 21 -4.529 -25.841 -8.221 1.00 0.59 H new ATOM 332 N GLU A 22 -2.707 -23.919 -5.537 1.00 0.48 N ATOM 333 CA GLU A 22 -3.036 -22.834 -4.591 1.00 0.22 C ATOM 334 C GLU A 22 -1.674 -22.342 -4.050 1.00 0.21 C ATOM 335 O GLU A 22 -0.684 -22.997 -4.309 1.00 0.23 O ATOM 336 CB GLU A 22 -3.890 -23.473 -3.471 1.00 0.28 C ATOM 337 CG GLU A 22 -5.065 -22.572 -3.086 1.00 0.33 C ATOM 338 CD GLU A 22 -5.996 -23.343 -2.151 1.00 0.46 C ATOM 339 OE1 GLU A 22 -5.836 -24.549 -2.095 1.00 0.33 O ATOM 340 OE2 GLU A 22 -6.820 -22.681 -1.547 1.00 0.85 O ATOM 0 H GLU A 22 -2.113 -24.639 -5.126 1.00 0.48 H new ATOM 0 HA GLU A 22 -3.589 -22.002 -5.026 1.00 0.22 H new ATOM 0 HB2 GLU A 22 -4.265 -24.441 -3.804 1.00 0.28 H new ATOM 0 HB3 GLU A 22 -3.267 -23.656 -2.595 1.00 0.28 H new ATOM 0 HG2 GLU A 22 -4.702 -21.669 -2.596 1.00 0.33 H new ATOM 0 HG3 GLU A 22 -5.605 -22.255 -3.978 1.00 0.33 H new ATOM 347 N LEU A 23 -1.603 -21.216 -3.352 1.00 0.20 N ATOM 348 CA LEU A 23 -0.243 -20.769 -2.842 1.00 0.22 C ATOM 349 C LEU A 23 -0.264 -20.462 -1.355 1.00 0.25 C ATOM 350 O LEU A 23 -1.311 -20.316 -0.778 1.00 0.25 O ATOM 351 CB LEU A 23 0.254 -19.484 -3.523 1.00 0.21 C ATOM 352 CG LEU A 23 -0.450 -19.247 -4.856 1.00 0.14 C ATOM 353 CD1 LEU A 23 -1.297 -17.963 -4.839 1.00 0.12 C ATOM 354 CD2 LEU A 23 0.622 -19.148 -5.936 1.00 0.25 C ATOM 0 H LEU A 23 -2.389 -20.609 -3.120 1.00 0.20 H new ATOM 0 HA LEU A 23 0.416 -21.607 -3.068 1.00 0.22 H new ATOM 0 HB2 LEU A 23 0.083 -18.633 -2.864 1.00 0.21 H new ATOM 0 HB3 LEU A 23 1.330 -19.550 -3.686 1.00 0.21 H new ATOM 0 HG LEU A 23 -1.132 -20.074 -5.052 1.00 0.14 H new ATOM 0 HD11 LEU A 23 -1.780 -17.833 -5.807 1.00 0.12 H new ATOM 0 HD12 LEU A 23 -2.057 -18.039 -4.061 1.00 0.12 H new ATOM 0 HD13 LEU A 23 -0.655 -17.106 -4.636 1.00 0.12 H new ATOM 0 HD21 LEU A 23 0.149 -18.978 -6.903 1.00 0.25 H new ATOM 0 HD22 LEU A 23 1.292 -18.319 -5.709 1.00 0.25 H new ATOM 0 HD23 LEU A 23 1.192 -20.076 -5.969 1.00 0.25 H new ATOM 366 N THR A 24 0.913 -20.299 -0.794 1.00 0.30 N ATOM 367 CA THR A 24 1.027 -19.999 0.653 1.00 0.34 C ATOM 368 C THR A 24 1.064 -18.514 0.863 1.00 0.32 C ATOM 369 O THR A 24 1.616 -18.031 1.831 1.00 0.36 O ATOM 370 CB THR A 24 2.344 -20.566 1.180 1.00 0.37 C ATOM 371 OG1 THR A 24 2.420 -20.148 2.531 1.00 0.37 O ATOM 372 CG2 THR A 24 3.526 -19.863 0.513 1.00 0.38 C ATOM 0 H THR A 24 1.802 -20.364 -1.290 1.00 0.30 H new ATOM 0 HA THR A 24 0.174 -20.438 1.171 1.00 0.34 H new ATOM 0 HB THR A 24 2.378 -21.643 1.015 1.00 0.37 H new ATOM 0 HG1 THR A 24 2.523 -19.174 2.567 1.00 0.37 H new ATOM 0 HG21 THR A 24 4.459 -20.276 0.897 1.00 0.38 H new ATOM 0 HG22 THR A 24 3.479 -20.015 -0.565 1.00 0.38 H new ATOM 0 HG23 THR A 24 3.485 -18.796 0.731 1.00 0.38 H new ATOM 380 N PHE A 25 0.489 -17.823 -0.060 1.00 0.28 N ATOM 381 CA PHE A 25 0.477 -16.359 0.059 1.00 0.27 C ATOM 382 C PHE A 25 0.130 -15.955 1.492 1.00 0.34 C ATOM 383 O PHE A 25 -0.570 -16.668 2.183 1.00 0.46 O ATOM 384 CB PHE A 25 -0.518 -15.802 -0.942 1.00 0.19 C ATOM 385 CG PHE A 25 -1.898 -16.400 -0.748 1.00 0.16 C ATOM 386 CD1 PHE A 25 -2.782 -15.875 0.165 1.00 0.15 C ATOM 387 CD2 PHE A 25 -2.308 -17.419 -1.570 1.00 0.20 C ATOM 388 CE1 PHE A 25 -4.069 -16.368 0.240 1.00 0.14 C ATOM 389 CE2 PHE A 25 -3.563 -17.909 -1.513 1.00 0.21 C ATOM 390 CZ PHE A 25 -4.460 -17.388 -0.604 1.00 0.17 C ATOM 0 H PHE A 25 0.030 -18.205 -0.887 1.00 0.28 H new ATOM 0 HA PHE A 25 1.462 -15.948 -0.162 1.00 0.27 H new ATOM 0 HB2 PHE A 25 -0.572 -14.718 -0.838 1.00 0.19 H new ATOM 0 HB3 PHE A 25 -0.171 -16.008 -1.954 1.00 0.19 H new ATOM 0 HD1 PHE A 25 -2.470 -15.078 0.823 1.00 0.15 H new ATOM 0 HD2 PHE A 25 -1.610 -17.838 -2.279 1.00 0.20 H new ATOM 0 HE1 PHE A 25 -4.767 -15.958 0.955 1.00 0.14 H new ATOM 0 HE2 PHE A 25 -3.865 -18.706 -2.176 1.00 0.21 H new ATOM 0 HZ PHE A 25 -5.466 -17.777 -0.553 1.00 0.17 H new ATOM 400 N ILE A 26 0.621 -14.821 1.907 1.00 0.39 N ATOM 401 CA ILE A 26 0.342 -14.354 3.298 1.00 0.42 C ATOM 402 C ILE A 26 -0.685 -13.237 3.356 1.00 0.19 C ATOM 403 O ILE A 26 -1.189 -12.789 2.345 1.00 0.25 O ATOM 404 CB ILE A 26 1.655 -13.815 3.861 1.00 0.68 C ATOM 405 CG1 ILE A 26 2.508 -13.284 2.707 1.00 0.66 C ATOM 406 CG2 ILE A 26 2.403 -14.969 4.543 1.00 0.77 C ATOM 407 CD1 ILE A 26 3.612 -12.359 3.239 1.00 1.10 C ATOM 0 H ILE A 26 1.202 -14.197 1.347 1.00 0.39 H new ATOM 0 HA ILE A 26 -0.059 -15.194 3.866 1.00 0.42 H new ATOM 0 HB ILE A 26 1.460 -13.016 4.576 1.00 0.68 H new ATOM 0 HG12 ILE A 26 2.953 -14.117 2.163 1.00 0.66 H new ATOM 0 HG13 ILE A 26 1.879 -12.742 2.001 1.00 0.66 H new ATOM 0 HG21 ILE A 26 3.344 -14.601 4.951 1.00 0.77 H new ATOM 0 HG22 ILE A 26 1.791 -15.373 5.349 1.00 0.77 H new ATOM 0 HG23 ILE A 26 2.606 -15.753 3.813 1.00 0.77 H new ATOM 0 HD11 ILE A 26 4.210 -11.990 2.406 1.00 1.10 H new ATOM 0 HD12 ILE A 26 3.160 -11.517 3.763 1.00 1.10 H new ATOM 0 HD13 ILE A 26 4.251 -12.913 3.927 1.00 1.10 H new ATOM 419 N LYS A 27 -0.964 -12.803 4.558 1.00 0.28 N ATOM 420 CA LYS A 27 -1.952 -11.716 4.725 1.00 0.12 C ATOM 421 C LYS A 27 -1.361 -10.410 4.257 1.00 0.33 C ATOM 422 O LYS A 27 -0.711 -9.726 5.020 1.00 1.08 O ATOM 423 CB LYS A 27 -2.301 -11.554 6.208 1.00 0.14 C ATOM 424 CG LYS A 27 -3.204 -10.318 6.373 1.00 0.30 C ATOM 425 CD LYS A 27 -3.815 -10.321 7.785 1.00 2.30 C ATOM 426 CE LYS A 27 -2.719 -10.112 8.836 1.00 1.16 C ATOM 427 NZ LYS A 27 -3.151 -9.104 9.846 1.00 1.12 N ATOM 0 H LYS A 27 -0.550 -13.156 5.421 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.839 -11.968 4.144 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -2.810 -12.445 6.575 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -1.392 -11.439 6.799 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -2.626 -9.407 6.216 1.00 0.30 H new ATOM 0 HG3 LYS A 27 -3.994 -10.327 5.622 1.00 0.30 H new ATOM 0 HD2 LYS A 27 -4.563 -9.532 7.867 1.00 2.30 H new ATOM 0 HD3 LYS A 27 -4.327 -11.266 7.966 1.00 2.30 H new ATOM 0 HE2 LYS A 27 -2.495 -11.058 9.330 1.00 1.16 H new ATOM 0 HE3 LYS A 27 -1.801 -9.780 8.352 1.00 1.16 H new ATOM 0 HZ1 LYS A 27 -2.397 -8.974 10.551 1.00 1.12 H new ATOM 0 HZ2 LYS A 27 -3.342 -8.198 9.372 1.00 1.12 H new ATOM 0 HZ3 LYS A 27 -4.015 -9.436 10.320 1.00 1.12 H new ATOM 441 N SER A 28 -1.603 -10.108 3.018 1.00 0.32 N ATOM 442 CA SER A 28 -1.090 -8.856 2.424 1.00 0.22 C ATOM 443 C SER A 28 -0.800 -9.054 0.941 1.00 0.26 C ATOM 444 O SER A 28 -0.767 -8.110 0.188 1.00 0.44 O ATOM 445 CB SER A 28 0.228 -8.428 3.093 1.00 0.40 C ATOM 446 OG SER A 28 0.876 -7.643 2.102 1.00 1.19 O ATOM 0 H SER A 28 -2.146 -10.690 2.381 1.00 0.32 H new ATOM 0 HA SER A 28 -1.854 -8.093 2.573 1.00 0.22 H new ATOM 0 HB2 SER A 28 0.047 -7.854 4.002 1.00 0.40 H new ATOM 0 HB3 SER A 28 0.831 -9.291 3.376 1.00 0.40 H new ATOM 0 HG SER A 28 1.735 -7.323 2.448 1.00 1.19 H new ATOM 452 N ALA A 29 -0.585 -10.290 0.558 1.00 0.34 N ATOM 453 CA ALA A 29 -0.291 -10.579 -0.874 1.00 0.43 C ATOM 454 C ALA A 29 -1.230 -9.790 -1.774 1.00 0.39 C ATOM 455 O ALA A 29 -2.389 -9.653 -1.459 1.00 0.32 O ATOM 456 CB ALA A 29 -0.511 -12.077 -1.109 1.00 0.54 C ATOM 0 H ALA A 29 -0.601 -11.104 1.173 1.00 0.34 H new ATOM 0 HA ALA A 29 0.736 -10.295 -1.105 1.00 0.43 H new ATOM 0 HB1 ALA A 29 -0.302 -12.316 -2.152 1.00 0.54 H new ATOM 0 HB2 ALA A 29 0.157 -12.648 -0.465 1.00 0.54 H new ATOM 0 HB3 ALA A 29 -1.545 -12.334 -0.878 1.00 0.54 H new ATOM 462 N ILE A 30 -0.723 -9.303 -2.883 1.00 0.47 N ATOM 463 CA ILE A 30 -1.588 -8.519 -3.804 1.00 0.53 C ATOM 464 C ILE A 30 -1.681 -9.221 -5.155 1.00 0.70 C ATOM 465 O ILE A 30 -1.298 -8.690 -6.181 1.00 1.52 O ATOM 466 CB ILE A 30 -0.977 -7.129 -4.001 1.00 0.53 C ATOM 467 CG1 ILE A 30 -0.250 -6.670 -2.740 1.00 0.47 C ATOM 468 CG2 ILE A 30 -2.121 -6.151 -4.274 1.00 0.55 C ATOM 469 CD1 ILE A 30 1.229 -7.045 -2.843 1.00 1.75 C ATOM 0 H ILE A 30 0.245 -9.417 -3.183 1.00 0.47 H new ATOM 0 HA ILE A 30 -2.586 -8.433 -3.375 1.00 0.53 H new ATOM 0 HB ILE A 30 -0.265 -7.163 -4.825 1.00 0.53 H new ATOM 0 HG12 ILE A 30 -0.356 -5.592 -2.618 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -0.694 -7.136 -1.860 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -1.717 -5.149 -4.419 1.00 0.55 H new ATOM 0 HG22 ILE A 30 -2.657 -6.459 -5.172 1.00 0.55 H new ATOM 0 HG23 ILE A 30 -2.806 -6.146 -3.426 1.00 0.55 H new ATOM 0 HD11 ILE A 30 1.751 -6.718 -1.943 1.00 1.75 H new ATOM 0 HD12 ILE A 30 1.324 -8.126 -2.945 1.00 1.75 H new ATOM 0 HD13 ILE A 30 1.668 -6.558 -3.714 1.00 1.75 H new ATOM 481 N ILE A 31 -2.202 -10.404 -5.121 1.00 0.19 N ATOM 482 CA ILE A 31 -2.342 -11.182 -6.374 1.00 0.16 C ATOM 483 C ILE A 31 -2.951 -10.305 -7.479 1.00 0.21 C ATOM 484 O ILE A 31 -3.731 -9.418 -7.190 1.00 0.25 O ATOM 485 CB ILE A 31 -3.240 -12.391 -6.093 1.00 0.14 C ATOM 486 CG1 ILE A 31 -2.724 -13.140 -4.843 1.00 0.11 C ATOM 487 CG2 ILE A 31 -3.177 -13.319 -7.321 1.00 0.26 C ATOM 488 CD1 ILE A 31 -3.740 -14.187 -4.386 1.00 0.16 C ATOM 0 H ILE A 31 -2.539 -10.870 -4.278 1.00 0.19 H new ATOM 0 HA ILE A 31 -1.364 -11.520 -6.716 1.00 0.16 H new ATOM 0 HB ILE A 31 -4.266 -12.073 -5.909 1.00 0.14 H new ATOM 0 HG12 ILE A 31 -1.773 -13.622 -5.068 1.00 0.11 H new ATOM 0 HG13 ILE A 31 -2.538 -12.430 -4.037 1.00 0.11 H new ATOM 0 HG21 ILE A 31 -3.808 -14.191 -7.151 1.00 0.26 H new ATOM 0 HG22 ILE A 31 -3.530 -12.782 -8.201 1.00 0.26 H new ATOM 0 HG23 ILE A 31 -2.148 -13.641 -7.481 1.00 0.26 H new ATOM 0 HD11 ILE A 31 -3.359 -14.704 -3.505 1.00 0.16 H new ATOM 0 HD12 ILE A 31 -4.682 -13.697 -4.140 1.00 0.16 H new ATOM 0 HD13 ILE A 31 -3.905 -14.908 -5.187 1.00 0.16 H new ATOM 500 N GLN A 32 -2.587 -10.566 -8.719 1.00 0.27 N ATOM 501 CA GLN A 32 -3.140 -9.748 -9.846 1.00 0.36 C ATOM 502 C GLN A 32 -3.891 -10.626 -10.843 1.00 0.33 C ATOM 503 O GLN A 32 -3.844 -11.837 -10.751 1.00 0.33 O ATOM 504 CB GLN A 32 -1.968 -9.068 -10.558 1.00 0.60 C ATOM 505 CG GLN A 32 -1.082 -8.390 -9.506 1.00 0.57 C ATOM 506 CD GLN A 32 -0.614 -7.025 -10.015 1.00 1.41 C ATOM 507 OE1 GLN A 32 -1.347 -6.302 -10.663 1.00 2.99 O ATOM 508 NE2 GLN A 32 0.600 -6.632 -9.740 1.00 0.67 N ATOM 0 H GLN A 32 -1.938 -11.303 -8.994 1.00 0.27 H new ATOM 0 HA GLN A 32 -3.839 -9.012 -9.448 1.00 0.36 H new ATOM 0 HB2 GLN A 32 -1.392 -9.801 -11.122 1.00 0.60 H new ATOM 0 HB3 GLN A 32 -2.336 -8.333 -11.274 1.00 0.60 H new ATOM 0 HG2 GLN A 32 -1.636 -8.269 -8.575 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -0.220 -9.019 -9.284 1.00 0.57 H new ATOM 0 HE21 GLN A 32 1.220 -7.233 -9.197 1.00 0.67 H new ATOM 0 HE22 GLN A 32 0.929 -5.724 -10.068 1.00 0.67 H new ATOM 517 N ASN A 33 -4.564 -10.010 -11.789 1.00 0.37 N ATOM 518 CA ASN A 33 -5.311 -10.832 -12.776 1.00 0.45 C ATOM 519 C ASN A 33 -6.135 -11.830 -11.980 1.00 0.42 C ATOM 520 O ASN A 33 -5.716 -12.939 -11.724 1.00 0.44 O ATOM 521 CB ASN A 33 -4.306 -11.555 -13.688 1.00 0.59 C ATOM 522 CG ASN A 33 -4.727 -11.361 -15.145 1.00 0.18 C ATOM 523 OD1 ASN A 33 -4.152 -10.571 -15.870 1.00 0.87 O ATOM 524 ND2 ASN A 33 -5.725 -12.059 -15.612 1.00 0.60 N ATOM 0 H ASN A 33 -4.624 -8.999 -11.913 1.00 0.37 H new ATOM 0 HA ASN A 33 -5.961 -10.225 -13.406 1.00 0.45 H new ATOM 0 HB2 ASN A 33 -3.303 -11.160 -13.530 1.00 0.59 H new ATOM 0 HB3 ASN A 33 -4.272 -12.617 -13.444 1.00 0.59 H new ATOM 0 HD21 ASN A 33 -6.020 -11.941 -16.581 1.00 0.60 H new ATOM 0 HD22 ASN A 33 -6.210 -12.723 -15.008 1.00 0.60 H new ATOM 531 N VAL A 34 -7.297 -11.397 -11.594 1.00 0.42 N ATOM 532 CA VAL A 34 -8.187 -12.274 -10.802 1.00 0.41 C ATOM 533 C VAL A 34 -9.539 -12.537 -11.461 1.00 0.47 C ATOM 534 O VAL A 34 -9.985 -11.794 -12.313 1.00 0.50 O ATOM 535 CB VAL A 34 -8.414 -11.518 -9.499 1.00 0.33 C ATOM 536 CG1 VAL A 34 -9.534 -10.491 -9.706 1.00 1.39 C ATOM 537 CG2 VAL A 34 -8.803 -12.483 -8.397 1.00 0.97 C ATOM 0 H VAL A 34 -7.669 -10.469 -11.795 1.00 0.42 H new ATOM 0 HA VAL A 34 -7.724 -13.254 -10.683 1.00 0.41 H new ATOM 0 HB VAL A 34 -7.494 -11.009 -9.210 1.00 0.33 H new ATOM 0 HG11 VAL A 34 -9.703 -9.945 -8.778 1.00 1.39 H new ATOM 0 HG12 VAL A 34 -9.246 -9.792 -10.491 1.00 1.39 H new ATOM 0 HG13 VAL A 34 -10.450 -11.005 -9.997 1.00 1.39 H new ATOM 0 HG21 VAL A 34 -8.963 -11.932 -7.470 1.00 0.97 H new ATOM 0 HG22 VAL A 34 -9.721 -13.001 -8.674 1.00 0.97 H new ATOM 0 HG23 VAL A 34 -8.005 -13.211 -8.253 1.00 0.97 H new ATOM 547 N GLU A 35 -10.164 -13.602 -11.024 1.00 0.49 N ATOM 548 CA GLU A 35 -11.491 -13.978 -11.575 1.00 0.57 C ATOM 549 C GLU A 35 -12.059 -15.179 -10.810 1.00 0.52 C ATOM 550 O GLU A 35 -11.759 -16.309 -11.139 1.00 0.47 O ATOM 551 CB GLU A 35 -11.311 -14.367 -13.049 1.00 0.64 C ATOM 552 CG GLU A 35 -12.624 -14.942 -13.580 1.00 1.33 C ATOM 553 CD GLU A 35 -12.821 -14.501 -15.033 1.00 0.49 C ATOM 554 OE1 GLU A 35 -11.876 -14.676 -15.784 1.00 1.13 O ATOM 555 OE2 GLU A 35 -13.906 -14.015 -15.311 1.00 1.22 O ATOM 0 H GLU A 35 -9.804 -14.228 -10.304 1.00 0.49 H new ATOM 0 HA GLU A 35 -12.178 -13.137 -11.478 1.00 0.57 H new ATOM 0 HB2 GLU A 35 -11.018 -13.495 -13.635 1.00 0.64 H new ATOM 0 HB3 GLU A 35 -10.512 -15.101 -13.149 1.00 0.64 H new ATOM 0 HG2 GLU A 35 -12.609 -16.030 -13.517 1.00 1.33 H new ATOM 0 HG3 GLU A 35 -13.458 -14.599 -12.968 1.00 1.33 H new ATOM 562 N LYS A 36 -12.846 -14.905 -9.787 1.00 0.61 N ATOM 563 CA LYS A 36 -13.447 -16.020 -8.982 1.00 0.58 C ATOM 564 C LYS A 36 -13.816 -17.190 -9.875 1.00 0.46 C ATOM 565 O LYS A 36 -13.987 -17.036 -11.069 1.00 0.40 O ATOM 566 CB LYS A 36 -14.709 -15.533 -8.239 1.00 0.65 C ATOM 567 CG LYS A 36 -15.293 -14.275 -8.895 1.00 0.81 C ATOM 568 CD LYS A 36 -14.454 -13.037 -8.563 1.00 2.61 C ATOM 569 CE LYS A 36 -15.347 -12.012 -7.867 1.00 1.46 C ATOM 570 NZ LYS A 36 -15.982 -12.606 -6.657 1.00 1.96 N ATOM 0 H LYS A 36 -13.094 -13.965 -9.479 1.00 0.61 H new ATOM 0 HA LYS A 36 -12.702 -16.344 -8.256 1.00 0.58 H new ATOM 0 HB2 LYS A 36 -15.459 -16.324 -8.234 1.00 0.65 H new ATOM 0 HB3 LYS A 36 -14.462 -15.322 -7.199 1.00 0.65 H new ATOM 0 HG2 LYS A 36 -15.334 -14.411 -9.976 1.00 0.81 H new ATOM 0 HG3 LYS A 36 -16.317 -14.126 -8.554 1.00 0.81 H new ATOM 0 HD2 LYS A 36 -13.618 -13.309 -7.919 1.00 2.61 H new ATOM 0 HD3 LYS A 36 -14.030 -12.613 -9.473 1.00 2.61 H new ATOM 0 HE2 LYS A 36 -14.757 -11.140 -7.584 1.00 1.46 H new ATOM 0 HE3 LYS A 36 -16.117 -11.666 -8.556 1.00 1.46 H new ATOM 0 HZ1 LYS A 36 -16.066 -11.880 -5.917 1.00 1.96 H new ATOM 0 HZ2 LYS A 36 -16.928 -12.963 -6.901 1.00 1.96 H new ATOM 0 HZ3 LYS A 36 -15.396 -13.390 -6.307 1.00 1.96 H new ATOM 623 N GLY A 40 -16.419 -19.690 -6.057 1.00 1.05 N ATOM 624 CA GLY A 40 -15.768 -19.204 -4.808 1.00 0.45 C ATOM 625 C GLY A 40 -14.265 -19.500 -4.777 1.00 0.38 C ATOM 626 O GLY A 40 -13.726 -19.793 -3.727 1.00 0.50 O ATOM 0 HA2 GLY A 40 -15.926 -18.130 -4.714 1.00 0.45 H new ATOM 0 HA3 GLY A 40 -16.245 -19.672 -3.947 1.00 0.45 H new ATOM 630 N TRP A 41 -13.613 -19.426 -5.911 1.00 0.34 N ATOM 631 CA TRP A 41 -12.145 -19.701 -5.934 1.00 0.27 C ATOM 632 C TRP A 41 -11.522 -18.690 -6.866 1.00 0.32 C ATOM 633 O TRP A 41 -12.028 -18.453 -7.933 1.00 0.40 O ATOM 634 CB TRP A 41 -11.911 -21.162 -6.322 1.00 0.37 C ATOM 635 CG TRP A 41 -12.438 -21.943 -5.115 1.00 0.42 C ATOM 636 CD1 TRP A 41 -13.736 -22.238 -4.938 1.00 0.45 C ATOM 637 CD2 TRP A 41 -11.795 -22.060 -3.944 1.00 0.43 C ATOM 638 NE1 TRP A 41 -13.834 -22.499 -3.633 1.00 0.50 N ATOM 639 CE2 TRP A 41 -12.678 -22.402 -2.936 1.00 0.47 C ATOM 640 CE3 TRP A 41 -10.459 -21.881 -3.649 1.00 0.43 C ATOM 641 CZ2 TRP A 41 -12.231 -22.532 -1.631 1.00 0.50 C ATOM 642 CZ3 TRP A 41 -10.010 -22.026 -2.351 1.00 0.44 C ATOM 643 CH2 TRP A 41 -10.900 -22.348 -1.336 1.00 0.47 C ATOM 0 H TRP A 41 -14.029 -19.190 -6.812 1.00 0.34 H new ATOM 0 HA TRP A 41 -11.670 -19.586 -4.960 1.00 0.27 H new ATOM 0 HB2 TRP A 41 -12.446 -21.425 -7.235 1.00 0.37 H new ATOM 0 HB3 TRP A 41 -10.855 -21.365 -6.501 1.00 0.37 H new ATOM 0 HD1 TRP A 41 -14.520 -22.259 -5.681 1.00 0.45 H new ATOM 0 HE1 TRP A 41 -14.718 -22.754 -3.192 1.00 0.50 H new ATOM 0 HE3 TRP A 41 -9.763 -21.627 -4.435 1.00 0.43 H new ATOM 0 HZ2 TRP A 41 -12.929 -22.778 -0.844 1.00 0.50 H new ATOM 0 HZ3 TRP A 41 -8.963 -21.888 -2.125 1.00 0.44 H new ATOM 0 HH2 TRP A 41 -10.550 -22.454 -0.320 1.00 0.47 H new ATOM 654 N TRP A 42 -10.429 -18.118 -6.447 1.00 0.35 N ATOM 655 CA TRP A 42 -9.765 -17.096 -7.284 1.00 0.38 C ATOM 656 C TRP A 42 -8.452 -17.504 -7.944 1.00 0.40 C ATOM 657 O TRP A 42 -7.687 -18.235 -7.377 1.00 0.61 O ATOM 658 CB TRP A 42 -9.398 -16.004 -6.294 1.00 0.38 C ATOM 659 CG TRP A 42 -10.654 -15.450 -5.621 1.00 0.39 C ATOM 660 CD1 TRP A 42 -11.716 -16.193 -5.253 1.00 0.34 C ATOM 661 CD2 TRP A 42 -10.940 -14.170 -5.518 1.00 0.42 C ATOM 662 NE1 TRP A 42 -12.638 -15.276 -5.000 1.00 0.34 N ATOM 663 CE2 TRP A 42 -12.243 -14.002 -5.127 1.00 0.39 C ATOM 664 CE3 TRP A 42 -10.118 -13.085 -5.664 1.00 0.49 C ATOM 665 CZ2 TRP A 42 -12.751 -12.754 -4.903 1.00 0.40 C ATOM 666 CZ3 TRP A 42 -10.617 -11.822 -5.433 1.00 0.51 C ATOM 667 CH2 TRP A 42 -11.936 -11.655 -5.049 1.00 0.47 C ATOM 0 H TRP A 42 -9.970 -18.318 -5.558 1.00 0.35 H new ATOM 0 HA TRP A 42 -10.444 -16.847 -8.100 1.00 0.38 H new ATOM 0 HB2 TRP A 42 -8.719 -16.402 -5.540 1.00 0.38 H new ATOM 0 HB3 TRP A 42 -8.869 -15.201 -6.808 1.00 0.38 H new ATOM 0 HD1 TRP A 42 -11.796 -17.268 -5.182 1.00 0.34 H new ATOM 0 HE1 TRP A 42 -13.589 -15.524 -4.726 1.00 0.34 H new ATOM 0 HE3 TRP A 42 -9.087 -13.218 -5.958 1.00 0.49 H new ATOM 0 HZ2 TRP A 42 -13.784 -12.631 -4.614 1.00 0.40 H new ATOM 0 HZ3 TRP A 42 -9.977 -10.960 -5.552 1.00 0.51 H new ATOM 0 HH2 TRP A 42 -12.325 -10.664 -4.864 1.00 0.47 H new ATOM 678 N ARG A 43 -8.204 -16.963 -9.116 1.00 0.27 N ATOM 679 CA ARG A 43 -6.940 -17.288 -9.846 1.00 0.27 C ATOM 680 C ARG A 43 -6.107 -16.011 -9.968 1.00 0.23 C ATOM 681 O ARG A 43 -6.553 -14.958 -9.568 1.00 0.21 O ATOM 682 CB ARG A 43 -7.249 -17.747 -11.269 1.00 0.27 C ATOM 683 CG ARG A 43 -6.958 -19.244 -11.403 1.00 0.17 C ATOM 684 CD ARG A 43 -7.161 -19.690 -12.852 1.00 0.28 C ATOM 685 NE ARG A 43 -7.570 -18.520 -13.677 1.00 2.65 N ATOM 686 CZ ARG A 43 -8.592 -18.627 -14.478 1.00 3.23 C ATOM 687 NH1 ARG A 43 -8.547 -19.497 -15.449 1.00 3.79 N ATOM 688 NH2 ARG A 43 -9.630 -17.858 -14.281 1.00 3.56 N ATOM 0 H ARG A 43 -8.824 -16.311 -9.596 1.00 0.27 H new ATOM 0 HA ARG A 43 -6.415 -18.072 -9.300 1.00 0.27 H new ATOM 0 HB2 ARG A 43 -8.294 -17.547 -11.507 1.00 0.27 H new ATOM 0 HB3 ARG A 43 -6.646 -17.184 -11.982 1.00 0.27 H new ATOM 0 HG2 ARG A 43 -5.935 -19.453 -11.090 1.00 0.17 H new ATOM 0 HG3 ARG A 43 -7.616 -19.811 -10.744 1.00 0.17 H new ATOM 0 HD2 ARG A 43 -6.240 -20.121 -13.244 1.00 0.28 H new ATOM 0 HD3 ARG A 43 -7.923 -20.468 -12.901 1.00 0.28 H new ATOM 0 HE ARG A 43 -7.054 -17.642 -13.616 1.00 2.65 H new ATOM 0 HH11 ARG A 43 -7.720 -20.081 -15.572 1.00 3.79 H new ATOM 0 HH12 ARG A 43 -9.339 -19.593 -16.085 1.00 3.79 H new ATOM 0 HH21 ARG A 43 -9.630 -17.189 -13.511 1.00 3.56 H new ATOM 0 HH22 ARG A 43 -10.440 -17.927 -14.897 1.00 3.56 H new ATOM 702 N GLY A 44 -4.918 -16.110 -10.522 1.00 0.23 N ATOM 703 CA GLY A 44 -4.064 -14.898 -10.664 1.00 0.22 C ATOM 704 C GLY A 44 -2.627 -15.247 -10.269 1.00 0.28 C ATOM 705 O GLY A 44 -2.385 -16.134 -9.474 1.00 0.39 O ATOM 0 H GLY A 44 -4.510 -16.975 -10.878 1.00 0.23 H new ATOM 0 HA2 GLY A 44 -4.094 -14.536 -11.692 1.00 0.22 H new ATOM 0 HA3 GLY A 44 -4.443 -14.095 -10.032 1.00 0.22 H new ATOM 709 N ASP A 45 -1.718 -14.540 -10.847 1.00 0.28 N ATOM 710 CA ASP A 45 -0.273 -14.778 -10.556 1.00 0.35 C ATOM 711 C ASP A 45 0.130 -14.330 -9.148 1.00 0.31 C ATOM 712 O ASP A 45 -0.323 -13.317 -8.657 1.00 0.53 O ATOM 713 CB ASP A 45 0.544 -13.955 -11.562 1.00 0.41 C ATOM 714 CG ASP A 45 2.027 -14.300 -11.422 1.00 1.69 C ATOM 715 OD1 ASP A 45 2.302 -15.221 -10.670 1.00 2.08 O ATOM 716 OD2 ASP A 45 2.805 -13.619 -12.070 1.00 3.12 O ATOM 0 H ASP A 45 -1.905 -13.795 -11.519 1.00 0.28 H new ATOM 0 HA ASP A 45 -0.086 -15.849 -10.631 1.00 0.35 H new ATOM 0 HB2 ASP A 45 0.206 -14.163 -12.577 1.00 0.41 H new ATOM 0 HB3 ASP A 45 0.390 -12.890 -11.387 1.00 0.41 H new ATOM 721 N TYR A 46 0.989 -15.103 -8.534 1.00 0.14 N ATOM 722 CA TYR A 46 1.450 -14.752 -7.160 1.00 0.14 C ATOM 723 C TYR A 46 2.816 -15.369 -6.870 1.00 0.14 C ATOM 724 O TYR A 46 3.785 -14.661 -6.678 1.00 1.64 O ATOM 725 CB TYR A 46 0.462 -15.285 -6.118 1.00 0.16 C ATOM 726 CG TYR A 46 0.880 -14.672 -4.782 1.00 0.13 C ATOM 727 CD1 TYR A 46 0.884 -13.295 -4.639 1.00 0.11 C ATOM 728 CD2 TYR A 46 1.459 -15.444 -3.786 1.00 0.20 C ATOM 729 CE1 TYR A 46 1.473 -12.706 -3.561 1.00 0.14 C ATOM 730 CE2 TYR A 46 2.051 -14.841 -2.704 1.00 0.28 C ATOM 731 CZ TYR A 46 2.061 -13.468 -2.576 1.00 0.25 C ATOM 732 OH TYR A 46 2.645 -12.867 -1.481 1.00 0.35 O ATOM 0 H TYR A 46 1.388 -15.957 -8.923 1.00 0.14 H new ATOM 0 HA TYR A 46 1.515 -13.665 -7.104 1.00 0.14 H new ATOM 0 HB2 TYR A 46 -0.560 -15.005 -6.372 1.00 0.16 H new ATOM 0 HB3 TYR A 46 0.493 -16.374 -6.073 1.00 0.16 H new ATOM 0 HD1 TYR A 46 0.414 -12.680 -5.392 1.00 0.11 H new ATOM 0 HD2 TYR A 46 1.444 -16.521 -3.862 1.00 0.20 H new ATOM 0 HE1 TYR A 46 1.479 -11.629 -3.478 1.00 0.14 H new ATOM 0 HE2 TYR A 46 2.515 -15.450 -1.943 1.00 0.28 H new ATOM 0 HH TYR A 46 3.010 -13.555 -0.886 1.00 0.35 H new ATOM 778 N LYS A 50 1.261 -18.384 -13.070 1.00 1.16 N ATOM 779 CA LYS A 50 0.477 -17.176 -13.454 1.00 1.11 C ATOM 780 C LYS A 50 -0.953 -17.184 -12.903 1.00 1.35 C ATOM 781 O LYS A 50 -1.594 -16.154 -12.857 1.00 3.31 O ATOM 782 CB LYS A 50 0.397 -17.157 -14.986 1.00 1.33 C ATOM 783 CG LYS A 50 0.065 -15.744 -15.475 1.00 1.27 C ATOM 784 CD LYS A 50 -0.696 -15.847 -16.801 1.00 1.56 C ATOM 785 CE LYS A 50 -0.640 -14.500 -17.527 1.00 1.50 C ATOM 786 NZ LYS A 50 0.771 -14.098 -17.783 1.00 1.44 N ATOM 0 HA LYS A 50 0.977 -16.301 -13.039 1.00 1.11 H new ATOM 0 HB2 LYS A 50 1.345 -17.485 -15.412 1.00 1.33 H new ATOM 0 HB3 LYS A 50 -0.365 -17.857 -15.327 1.00 1.33 H new ATOM 0 HG2 LYS A 50 -0.538 -15.220 -14.733 1.00 1.27 H new ATOM 0 HG3 LYS A 50 0.980 -15.166 -15.608 1.00 1.27 H new ATOM 0 HD2 LYS A 50 -0.258 -16.627 -17.424 1.00 1.56 H new ATOM 0 HD3 LYS A 50 -1.732 -16.130 -16.617 1.00 1.56 H new ATOM 0 HE2 LYS A 50 -1.181 -14.567 -18.471 1.00 1.50 H new ATOM 0 HE3 LYS A 50 -1.138 -13.737 -16.928 1.00 1.50 H new ATOM 0 HZ1 LYS A 50 0.817 -13.525 -18.649 1.00 1.44 H new ATOM 0 HZ2 LYS A 50 1.124 -13.540 -16.979 1.00 1.44 H new ATOM 0 HZ3 LYS A 50 1.359 -14.948 -17.899 1.00 1.44 H new ATOM 800 N GLN A 51 -1.437 -18.324 -12.490 1.00 0.64 N ATOM 801 CA GLN A 51 -2.827 -18.342 -11.956 1.00 0.16 C ATOM 802 C GLN A 51 -3.140 -19.601 -11.154 1.00 0.06 C ATOM 803 O GLN A 51 -3.742 -20.534 -11.646 1.00 0.38 O ATOM 804 CB GLN A 51 -3.791 -18.217 -13.142 1.00 0.26 C ATOM 805 CG GLN A 51 -3.381 -19.172 -14.266 1.00 2.21 C ATOM 806 CD GLN A 51 -4.434 -19.109 -15.374 1.00 2.89 C ATOM 807 OE1 GLN A 51 -5.309 -18.139 -15.362 1.00 3.38 O flip ATOM 808 NE2 GLN A 51 -4.470 -19.941 -16.261 1.00 3.06 N flip ATOM 0 H GLN A 51 -0.947 -19.219 -12.498 1.00 0.64 H new ATOM 0 HA GLN A 51 -2.941 -17.507 -11.264 1.00 0.16 H new ATOM 0 HB2 GLN A 51 -4.807 -18.442 -12.818 1.00 0.26 H new ATOM 0 HB3 GLN A 51 -3.793 -17.191 -13.510 1.00 0.26 H new ATOM 0 HG2 GLN A 51 -2.403 -18.895 -14.659 1.00 2.21 H new ATOM 0 HG3 GLN A 51 -3.295 -20.189 -13.884 1.00 2.21 H new ATOM 0 HE21 GLN A 51 -3.789 -20.701 -16.276 1.00 3.06 H new ATOM 0 HE22 GLN A 51 -5.181 -19.879 -16.990 1.00 3.06 H new ATOM 817 N LEU A 52 -2.727 -19.585 -9.915 1.00 0.34 N ATOM 818 CA LEU A 52 -2.984 -20.758 -9.040 1.00 0.41 C ATOM 819 C LEU A 52 -4.383 -20.579 -8.433 1.00 0.39 C ATOM 820 O LEU A 52 -5.289 -20.234 -9.151 1.00 0.59 O ATOM 821 CB LEU A 52 -1.904 -20.794 -7.931 1.00 0.53 C ATOM 822 CG LEU A 52 -0.499 -21.249 -8.445 1.00 0.48 C ATOM 823 CD1 LEU A 52 -0.054 -22.471 -7.642 1.00 0.72 C ATOM 824 CD2 LEU A 52 -0.461 -21.612 -9.935 1.00 0.53 C ATOM 0 H LEU A 52 -2.226 -18.813 -9.475 1.00 0.34 H new ATOM 0 HA LEU A 52 -2.941 -21.695 -9.595 1.00 0.41 H new ATOM 0 HB2 LEU A 52 -1.816 -19.802 -7.488 1.00 0.53 H new ATOM 0 HB3 LEU A 52 -2.229 -21.469 -7.140 1.00 0.53 H new ATOM 0 HG LEU A 52 0.167 -20.397 -8.311 1.00 0.48 H new ATOM 0 HD11 LEU A 52 0.925 -22.799 -7.991 1.00 0.72 H new ATOM 0 HD12 LEU A 52 0.006 -22.210 -6.585 1.00 0.72 H new ATOM 0 HD13 LEU A 52 -0.775 -23.277 -7.776 1.00 0.72 H new ATOM 0 HD21 LEU A 52 0.549 -21.917 -10.210 1.00 0.53 H new ATOM 0 HD22 LEU A 52 -1.152 -22.432 -10.127 1.00 0.53 H new ATOM 0 HD23 LEU A 52 -0.753 -20.745 -10.528 1.00 0.53 H new ATOM 836 N TRP A 53 -4.567 -20.813 -7.157 1.00 0.23 N ATOM 837 CA TRP A 53 -5.947 -20.625 -6.601 1.00 0.20 C ATOM 838 C TRP A 53 -5.985 -19.996 -5.215 1.00 0.20 C ATOM 839 O TRP A 53 -5.114 -20.229 -4.401 1.00 0.22 O ATOM 840 CB TRP A 53 -6.608 -21.991 -6.468 1.00 0.20 C ATOM 841 CG TRP A 53 -7.096 -22.432 -7.835 1.00 0.16 C ATOM 842 CD1 TRP A 53 -6.540 -23.429 -8.505 1.00 0.30 C ATOM 843 CD2 TRP A 53 -8.074 -21.870 -8.550 1.00 0.16 C ATOM 844 NE1 TRP A 53 -7.214 -23.459 -9.650 1.00 0.39 N ATOM 845 CE2 TRP A 53 -8.184 -22.522 -9.767 1.00 0.26 C ATOM 846 CE3 TRP A 53 -8.883 -20.777 -8.290 1.00 0.22 C ATOM 847 CZ2 TRP A 53 -9.087 -22.088 -10.711 1.00 0.28 C ATOM 848 CZ3 TRP A 53 -9.783 -20.342 -9.247 1.00 0.18 C ATOM 849 CH2 TRP A 53 -9.880 -21.003 -10.455 1.00 0.13 C ATOM 0 H TRP A 53 -3.852 -21.115 -6.495 1.00 0.23 H new ATOM 0 HA TRP A 53 -6.456 -19.953 -7.292 1.00 0.20 H new ATOM 0 HB2 TRP A 53 -5.899 -22.716 -6.068 1.00 0.20 H new ATOM 0 HB3 TRP A 53 -7.442 -21.940 -5.768 1.00 0.20 H new ATOM 0 HD1 TRP A 53 -5.728 -24.069 -8.194 1.00 0.30 H new ATOM 0 HE1 TRP A 53 -7.015 -24.137 -10.386 1.00 0.39 H new ATOM 0 HE3 TRP A 53 -8.812 -20.265 -7.342 1.00 0.22 H new ATOM 0 HZ2 TRP A 53 -9.170 -22.605 -11.656 1.00 0.28 H new ATOM 0 HZ3 TRP A 53 -10.410 -19.485 -9.049 1.00 0.18 H new ATOM 0 HH2 TRP A 53 -10.584 -20.663 -11.200 1.00 0.13 H new ATOM 860 N PHE A 54 -6.972 -19.153 -4.997 1.00 0.23 N ATOM 861 CA PHE A 54 -7.099 -18.500 -3.664 1.00 0.27 C ATOM 862 C PHE A 54 -8.600 -18.454 -3.267 1.00 0.21 C ATOM 863 O PHE A 54 -9.411 -17.930 -3.994 1.00 0.19 O ATOM 864 CB PHE A 54 -6.563 -17.040 -3.649 1.00 0.29 C ATOM 865 CG PHE A 54 -5.938 -16.628 -4.961 1.00 0.28 C ATOM 866 CD1 PHE A 54 -4.882 -17.330 -5.471 1.00 0.23 C ATOM 867 CD2 PHE A 54 -6.429 -15.536 -5.656 1.00 0.34 C ATOM 868 CE1 PHE A 54 -4.326 -16.976 -6.664 1.00 0.23 C ATOM 869 CE2 PHE A 54 -5.884 -15.175 -6.838 1.00 0.34 C ATOM 870 CZ PHE A 54 -4.817 -15.901 -7.354 1.00 0.29 C ATOM 0 H PHE A 54 -7.684 -18.896 -5.680 1.00 0.23 H new ATOM 0 HA PHE A 54 -6.504 -19.088 -2.965 1.00 0.27 H new ATOM 0 HB2 PHE A 54 -7.382 -16.360 -3.414 1.00 0.29 H new ATOM 0 HB3 PHE A 54 -5.825 -16.938 -2.853 1.00 0.29 H new ATOM 0 HD1 PHE A 54 -4.485 -18.172 -4.924 1.00 0.23 H new ATOM 0 HD2 PHE A 54 -7.254 -14.969 -5.250 1.00 0.34 H new ATOM 0 HE1 PHE A 54 -3.499 -17.543 -7.064 1.00 0.23 H new ATOM 0 HE2 PHE A 54 -6.275 -14.326 -7.379 1.00 0.34 H new ATOM 0 HZ PHE A 54 -4.376 -15.617 -8.298 1.00 0.29 H new ATOM 880 N PRO A 55 -8.954 -18.999 -2.126 1.00 0.21 N ATOM 881 CA PRO A 55 -10.363 -19.006 -1.661 1.00 0.19 C ATOM 882 C PRO A 55 -11.026 -17.638 -1.589 1.00 0.18 C ATOM 883 O PRO A 55 -10.397 -16.642 -1.306 1.00 0.33 O ATOM 884 CB PRO A 55 -10.274 -19.492 -0.226 1.00 0.25 C ATOM 885 CG PRO A 55 -8.844 -20.073 -0.015 1.00 0.27 C ATOM 886 CD PRO A 55 -8.005 -19.627 -1.188 1.00 0.24 C ATOM 0 HA PRO A 55 -10.950 -19.604 -2.358 1.00 0.19 H new ATOM 0 HB2 PRO A 55 -10.461 -18.673 0.468 1.00 0.25 H new ATOM 0 HB3 PRO A 55 -11.029 -20.253 -0.032 1.00 0.25 H new ATOM 0 HG2 PRO A 55 -8.417 -19.715 0.922 1.00 0.27 H new ATOM 0 HG3 PRO A 55 -8.875 -21.161 0.044 1.00 0.27 H new ATOM 0 HD2 PRO A 55 -7.235 -18.922 -0.876 1.00 0.24 H new ATOM 0 HD3 PRO A 55 -7.495 -20.472 -1.651 1.00 0.24 H new ATOM 894 N SER A 56 -12.312 -17.645 -1.831 1.00 0.16 N ATOM 895 CA SER A 56 -13.097 -16.389 -1.784 1.00 0.15 C ATOM 896 C SER A 56 -13.512 -16.288 -0.334 1.00 0.25 C ATOM 897 O SER A 56 -14.284 -15.446 0.079 1.00 0.31 O ATOM 898 CB SER A 56 -14.343 -16.530 -2.660 1.00 0.16 C ATOM 899 OG SER A 56 -15.403 -16.707 -1.731 1.00 0.77 O ATOM 0 H SER A 56 -12.851 -18.480 -2.061 1.00 0.16 H new ATOM 0 HA SER A 56 -12.541 -15.521 -2.137 1.00 0.15 H new ATOM 0 HB2 SER A 56 -14.498 -15.645 -3.278 1.00 0.16 H new ATOM 0 HB3 SER A 56 -14.260 -17.380 -3.337 1.00 0.16 H new ATOM 0 HG SER A 56 -15.537 -15.878 -1.226 1.00 0.77 H new ATOM 905 N ASN A 57 -12.937 -17.208 0.395 1.00 0.30 N ATOM 906 CA ASN A 57 -13.167 -17.335 1.828 1.00 0.47 C ATOM 907 C ASN A 57 -11.916 -16.823 2.503 1.00 0.45 C ATOM 908 O ASN A 57 -11.847 -16.693 3.712 1.00 0.58 O ATOM 909 CB ASN A 57 -13.332 -18.842 2.122 1.00 0.55 C ATOM 910 CG ASN A 57 -14.751 -19.284 1.753 1.00 1.29 C ATOM 911 OD1 ASN A 57 -15.768 -18.552 2.118 1.00 2.35 O flip ATOM 912 ND2 ASN A 57 -14.945 -20.305 1.124 1.00 1.98 N flip ATOM 0 H ASN A 57 -12.290 -17.900 0.018 1.00 0.30 H new ATOM 0 HA ASN A 57 -14.043 -16.787 2.173 1.00 0.47 H new ATOM 0 HB2 ASN A 57 -12.601 -19.416 1.552 1.00 0.55 H new ATOM 0 HB3 ASN A 57 -13.141 -19.040 3.177 1.00 0.55 H new ATOM 0 HD21 ASN A 57 -14.156 -20.883 0.835 1.00 1.98 H new ATOM 0 HD22 ASN A 57 -15.897 -20.584 0.885 1.00 1.98 H new ATOM 919 N TYR A 58 -10.937 -16.551 1.666 1.00 0.31 N ATOM 920 CA TYR A 58 -9.644 -16.039 2.183 1.00 0.32 C ATOM 921 C TYR A 58 -9.300 -14.651 1.608 1.00 0.45 C ATOM 922 O TYR A 58 -8.797 -13.801 2.316 1.00 1.13 O ATOM 923 CB TYR A 58 -8.510 -17.004 1.783 1.00 0.10 C ATOM 924 CG TYR A 58 -8.357 -18.150 2.812 1.00 0.23 C ATOM 925 CD1 TYR A 58 -9.362 -19.111 3.016 1.00 0.31 C ATOM 926 CD2 TYR A 58 -7.191 -18.247 3.553 1.00 0.41 C ATOM 927 CE1 TYR A 58 -9.185 -20.109 3.953 1.00 0.56 C ATOM 928 CE2 TYR A 58 -7.029 -19.255 4.482 1.00 0.67 C ATOM 929 CZ TYR A 58 -8.023 -20.190 4.689 1.00 0.74 C ATOM 930 OH TYR A 58 -7.849 -21.204 5.609 1.00 1.02 O ATOM 0 H TYR A 58 -10.987 -16.664 0.654 1.00 0.31 H new ATOM 0 HA TYR A 58 -9.740 -15.961 3.266 1.00 0.32 H new ATOM 0 HB2 TYR A 58 -8.716 -17.422 0.798 1.00 0.10 H new ATOM 0 HB3 TYR A 58 -7.572 -16.454 1.706 1.00 0.10 H new ATOM 0 HD1 TYR A 58 -10.274 -19.069 2.439 1.00 0.31 H new ATOM 0 HD2 TYR A 58 -6.400 -17.527 3.402 1.00 0.41 H new ATOM 0 HE1 TYR A 58 -9.968 -20.836 4.111 1.00 0.56 H new ATOM 0 HE2 TYR A 58 -6.114 -19.313 5.053 1.00 0.67 H new ATOM 0 HH TYR A 58 -6.973 -21.110 6.037 1.00 1.02 H new ATOM 940 N VAL A 59 -9.581 -14.439 0.337 1.00 0.41 N ATOM 941 CA VAL A 59 -9.266 -13.111 -0.288 1.00 0.30 C ATOM 942 C VAL A 59 -10.500 -12.209 -0.463 1.00 0.41 C ATOM 943 O VAL A 59 -11.596 -12.563 -0.073 1.00 0.56 O ATOM 944 CB VAL A 59 -8.687 -13.380 -1.679 1.00 0.35 C ATOM 945 CG1 VAL A 59 -7.554 -14.394 -1.561 1.00 0.44 C ATOM 946 CG2 VAL A 59 -9.797 -13.927 -2.593 1.00 0.47 C ATOM 0 H VAL A 59 -10.010 -15.122 -0.287 1.00 0.41 H new ATOM 0 HA VAL A 59 -8.573 -12.593 0.375 1.00 0.30 H new ATOM 0 HB VAL A 59 -8.297 -12.457 -2.108 1.00 0.35 H new ATOM 0 HG11 VAL A 59 -7.137 -14.590 -2.549 1.00 0.44 H new ATOM 0 HG12 VAL A 59 -6.775 -13.995 -0.911 1.00 0.44 H new ATOM 0 HG13 VAL A 59 -7.939 -15.322 -1.139 1.00 0.44 H new ATOM 0 HG21 VAL A 59 -9.389 -14.120 -3.585 1.00 0.47 H new ATOM 0 HG22 VAL A 59 -10.189 -14.854 -2.175 1.00 0.47 H new ATOM 0 HG23 VAL A 59 -10.601 -13.195 -2.667 1.00 0.47 H new ATOM 956 N GLU A 60 -10.278 -11.050 -1.054 1.00 0.38 N ATOM 957 CA GLU A 60 -11.404 -10.088 -1.283 1.00 0.57 C ATOM 958 C GLU A 60 -10.912 -8.813 -1.996 1.00 0.53 C ATOM 959 O GLU A 60 -9.986 -8.163 -1.548 1.00 0.75 O ATOM 960 CB GLU A 60 -11.995 -9.688 0.083 1.00 0.90 C ATOM 961 CG GLU A 60 -13.480 -10.068 0.139 1.00 1.11 C ATOM 962 CD GLU A 60 -14.139 -9.354 1.321 1.00 1.22 C ATOM 963 OE1 GLU A 60 -13.544 -9.406 2.384 1.00 0.36 O ATOM 964 OE2 GLU A 60 -15.202 -8.799 1.095 1.00 2.91 O ATOM 0 H GLU A 60 -9.367 -10.734 -1.385 1.00 0.38 H new ATOM 0 HA GLU A 60 -12.152 -10.572 -1.911 1.00 0.57 H new ATOM 0 HB2 GLU A 60 -11.452 -10.188 0.885 1.00 0.90 H new ATOM 0 HB3 GLU A 60 -11.879 -8.616 0.240 1.00 0.90 H new ATOM 0 HG2 GLU A 60 -13.974 -9.788 -0.791 1.00 1.11 H new ATOM 0 HG3 GLU A 60 -13.587 -11.147 0.245 1.00 1.11 H new