USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 35 CYS SG : rot 92:sc= 0.566 USER MOD Set 1.2: A 36 SER OG : rot 83:sc= 1.24 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.63 K(o=-1.6,f=-3.3) USER MOD Single : A 19 THR OG1 : rot -170:sc= 0.584 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 175:sc= -1.65 (180deg=-1.75) USER MOD Single : A 37 THR OG1 : rot 99:sc= 1.25 USER MOD Single : A 38 TYR OH : rot 178:sc= 0.125 USER MOD Single : A 40 SER OG : rot 22:sc= 0.791 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 109:sc= 0.0577 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 80:sc= -0.1 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 1.19 (180deg=0.806) USER MOD Single : A 71 LYS NZ :NH3+ -156:sc= 0.78 (180deg=0.478) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0578 K(o=-0.058,f=-5.3!) USER MOD Single : A 79 ASN : amide:sc= -0.0396 X(o=-0.04,f=0) USER MOD Single : A 80 GLN : amide:sc= 0.691 K(o=0.69,f=-0.63) USER MOD Single : A 82 MET CE :methyl -161:sc= -1.28 (180deg=-2.4) USER MOD Single : A 83 HIS : no HD1:sc= -0.0633 X(o=-0.063,f=-0.0093) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 88 ASN : amide:sc= 0.3 X(o=0.3,f=-0.16) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.0316 K(o=-0.032,f=-2.1) USER MOD Single : A 98 ASN : amide:sc= 0.744 K(o=0.74,f=-0.02) USER MOD Single : A 99 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0691 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -7.391 3.497 10.203 1.00 15.34 N ATOM 116 CA ILE A 10 -6.065 3.110 9.754 1.00 5.21 C ATOM 117 C ILE A 10 -5.560 4.207 8.809 1.00 14.55 C ATOM 118 O ILE A 10 -6.334 4.780 8.040 1.00 54.32 O ATOM 119 CB ILE A 10 -6.127 1.734 9.044 1.00 54.21 C ATOM 120 CG1 ILE A 10 -6.953 0.681 9.812 1.00 51.04 C ATOM 121 CG2 ILE A 10 -4.716 1.152 8.874 1.00 30.52 C ATOM 122 CD1 ILE A 10 -7.455 -0.462 8.933 1.00 32.12 C ATOM 0 HA ILE A 10 -5.380 3.007 10.595 1.00 5.21 H new ATOM 0 HB ILE A 10 -6.607 1.931 8.085 1.00 54.21 H new ATOM 0 HG12 ILE A 10 -6.343 0.269 10.616 1.00 51.04 H new ATOM 0 HG13 ILE A 10 -7.807 1.171 10.279 1.00 51.04 H new ATOM 0 HG21 ILE A 10 -4.779 0.186 8.374 1.00 30.52 H new ATOM 0 HG22 ILE A 10 -4.112 1.833 8.274 1.00 30.52 H new ATOM 0 HG23 ILE A 10 -4.255 1.024 9.853 1.00 30.52 H new ATOM 0 HD11 ILE A 10 -8.027 -1.164 9.540 1.00 32.12 H new ATOM 0 HD12 ILE A 10 -8.092 -0.062 8.144 1.00 32.12 H new ATOM 0 HD13 ILE A 10 -6.605 -0.978 8.487 1.00 32.12 H new ATOM 134 N LYS A 11 -4.265 4.509 8.887 1.00 14.05 N ATOM 135 CA LYS A 11 -3.598 5.574 8.149 1.00 35.31 C ATOM 136 C LYS A 11 -2.234 5.138 7.594 1.00 14.44 C ATOM 137 O LYS A 11 -1.415 5.975 7.227 1.00 4.11 O ATOM 138 CB LYS A 11 -3.595 6.871 8.978 1.00 24.50 C ATOM 139 CG LYS A 11 -2.707 6.906 10.232 1.00 63.33 C ATOM 140 CD LYS A 11 -3.287 6.194 11.456 1.00 54.43 C ATOM 141 CE LYS A 11 -4.202 7.114 12.242 1.00 3.11 C ATOM 142 NZ LYS A 11 -4.927 6.371 13.292 1.00 65.31 N ATOM 0 H LYS A 11 -3.627 3.994 9.493 1.00 14.05 H new ATOM 0 HA LYS A 11 -4.168 5.801 7.248 1.00 35.31 H new ATOM 0 HB2 LYS A 11 -3.288 7.688 8.325 1.00 24.50 H new ATOM 0 HB3 LYS A 11 -4.620 7.077 9.285 1.00 24.50 H new ATOM 0 HG2 LYS A 11 -1.745 6.455 9.990 1.00 63.33 H new ATOM 0 HG3 LYS A 11 -2.514 7.947 10.493 1.00 63.33 H new ATOM 0 HD2 LYS A 11 -3.841 5.311 11.138 1.00 54.43 H new ATOM 0 HD3 LYS A 11 -2.476 5.848 12.097 1.00 54.43 H new ATOM 0 HE2 LYS A 11 -3.616 7.913 12.696 1.00 3.11 H new ATOM 0 HE3 LYS A 11 -4.916 7.586 11.567 1.00 3.11 H new ATOM 0 HZ1 LYS A 11 -5.546 7.023 13.815 1.00 65.31 H new ATOM 0 HZ2 LYS A 11 -5.503 5.624 12.854 1.00 65.31 H new ATOM 0 HZ3 LYS A 11 -4.244 5.942 13.948 1.00 65.31 H new ATOM 156 N GLU A 12 -1.988 3.836 7.497 1.00 60.24 N ATOM 157 CA GLU A 12 -0.886 3.227 6.753 1.00 34.33 C ATOM 158 C GLU A 12 -1.277 1.776 6.507 1.00 55.34 C ATOM 159 O GLU A 12 -2.045 1.182 7.262 1.00 61.25 O ATOM 160 CB GLU A 12 0.420 3.388 7.576 1.00 3.41 C ATOM 161 CG GLU A 12 1.693 2.729 7.019 1.00 22.13 C ATOM 162 CD GLU A 12 2.937 3.126 7.823 1.00 0.11 C ATOM 163 OE1 GLU A 12 3.115 2.582 8.940 1.00 60.33 O ATOM 164 OE2 GLU A 12 3.752 3.956 7.361 1.00 24.31 O ATOM 0 H GLU A 12 -2.578 3.142 7.956 1.00 60.24 H new ATOM 0 HA GLU A 12 -0.701 3.702 5.790 1.00 34.33 H new ATOM 0 HB2 GLU A 12 0.616 4.454 7.692 1.00 3.41 H new ATOM 0 HB3 GLU A 12 0.241 2.986 8.573 1.00 3.41 H new ATOM 0 HG2 GLU A 12 1.579 1.645 7.037 1.00 22.13 H new ATOM 0 HG3 GLU A 12 1.826 3.018 5.977 1.00 22.13 H new ATOM 171 N ILE A 13 -0.799 1.227 5.404 1.00 41.13 N ATOM 172 CA ILE A 13 -0.963 -0.162 4.998 1.00 62.33 C ATOM 173 C ILE A 13 0.417 -0.734 4.719 1.00 33.31 C ATOM 174 O ILE A 13 1.419 -0.013 4.776 1.00 5.14 O ATOM 175 CB ILE A 13 -1.853 -0.284 3.745 1.00 50.41 C ATOM 176 CG1 ILE A 13 -1.215 0.384 2.515 1.00 72.45 C ATOM 177 CG2 ILE A 13 -3.290 0.178 3.988 1.00 30.11 C ATOM 178 CD1 ILE A 13 -1.101 1.882 2.515 1.00 75.33 C ATOM 0 H ILE A 13 -0.256 1.766 4.729 1.00 41.13 H new ATOM 0 HA ILE A 13 -1.456 -0.716 5.796 1.00 62.33 H new ATOM 0 HB ILE A 13 -1.921 -1.348 3.520 1.00 50.41 H new ATOM 0 HG12 ILE A 13 -0.214 -0.029 2.391 1.00 72.45 H new ATOM 0 HG13 ILE A 13 -1.792 0.091 1.637 1.00 72.45 H new ATOM 0 HG21 ILE A 13 -3.868 0.068 3.070 1.00 30.11 H new ATOM 0 HG22 ILE A 13 -3.739 -0.429 4.774 1.00 30.11 H new ATOM 0 HG23 ILE A 13 -3.289 1.224 4.293 1.00 30.11 H new ATOM 0 HD11 ILE A 13 -0.633 2.211 1.587 1.00 75.33 H new ATOM 0 HD12 ILE A 13 -2.095 2.323 2.596 1.00 75.33 H new ATOM 0 HD13 ILE A 13 -0.492 2.201 3.361 1.00 75.33 H new ATOM 190 N ILE A 14 0.464 -2.013 4.360 1.00 1.10 N ATOM 191 CA ILE A 14 1.683 -2.688 3.979 1.00 3.34 C ATOM 192 C ILE A 14 1.355 -3.577 2.792 1.00 72.13 C ATOM 193 O ILE A 14 0.747 -4.629 2.965 1.00 61.13 O ATOM 194 CB ILE A 14 2.316 -3.459 5.162 1.00 0.22 C ATOM 195 CG1 ILE A 14 2.187 -2.692 6.492 1.00 52.02 C ATOM 196 CG2 ILE A 14 3.787 -3.772 4.830 1.00 72.02 C ATOM 197 CD1 ILE A 14 2.874 -3.374 7.665 1.00 41.21 C ATOM 0 H ILE A 14 -0.361 -2.612 4.328 1.00 1.10 H new ATOM 0 HA ILE A 14 2.446 -1.965 3.690 1.00 3.34 H new ATOM 0 HB ILE A 14 1.771 -4.393 5.300 1.00 0.22 H new ATOM 0 HG12 ILE A 14 2.608 -1.694 6.367 1.00 52.02 H new ATOM 0 HG13 ILE A 14 1.130 -2.565 6.726 1.00 52.02 H new ATOM 0 HG21 ILE A 14 4.240 -4.315 5.659 1.00 72.02 H new ATOM 0 HG22 ILE A 14 3.835 -4.382 3.928 1.00 72.02 H new ATOM 0 HG23 ILE A 14 4.329 -2.841 4.667 1.00 72.02 H new ATOM 0 HD11 ILE A 14 2.739 -2.774 8.565 1.00 41.21 H new ATOM 0 HD12 ILE A 14 2.438 -4.361 7.818 1.00 41.21 H new ATOM 0 HD13 ILE A 14 3.938 -3.477 7.454 1.00 41.21 H new ATOM 209 N ILE A 15 1.749 -3.172 1.587 1.00 74.22 N ATOM 210 CA ILE A 15 1.709 -4.049 0.429 1.00 30.24 C ATOM 211 C ILE A 15 2.673 -5.197 0.757 1.00 42.23 C ATOM 212 O ILE A 15 3.882 -4.967 0.856 1.00 12.32 O ATOM 213 CB ILE A 15 2.098 -3.294 -0.858 1.00 62.33 C ATOM 214 CG1 ILE A 15 1.503 -1.874 -1.021 1.00 25.33 C ATOM 215 CG2 ILE A 15 1.776 -4.168 -2.081 1.00 70.32 C ATOM 216 CD1 ILE A 15 -0.020 -1.749 -0.951 1.00 2.24 C ATOM 0 H ILE A 15 2.101 -2.235 1.391 1.00 74.22 H new ATOM 0 HA ILE A 15 0.706 -4.430 0.235 1.00 30.24 H new ATOM 0 HB ILE A 15 3.170 -3.115 -0.774 1.00 62.33 H new ATOM 0 HG12 ILE A 15 1.932 -1.236 -0.248 1.00 25.33 H new ATOM 0 HG13 ILE A 15 1.832 -1.477 -1.981 1.00 25.33 H new ATOM 0 HG21 ILE A 15 2.051 -3.635 -2.991 1.00 70.32 H new ATOM 0 HG22 ILE A 15 2.340 -5.099 -2.021 1.00 70.32 H new ATOM 0 HG23 ILE A 15 0.709 -4.390 -2.099 1.00 70.32 H new ATOM 0 HD11 ILE A 15 -0.306 -0.705 -1.080 1.00 2.24 H new ATOM 0 HD12 ILE A 15 -0.471 -2.349 -1.742 1.00 2.24 H new ATOM 0 HD13 ILE A 15 -0.370 -2.104 0.018 1.00 2.24 H new ATOM 228 N GLN A 16 2.172 -6.394 1.062 1.00 72.24 N ATOM 229 CA GLN A 16 3.027 -7.543 1.321 1.00 22.52 C ATOM 230 C GLN A 16 3.884 -7.878 0.090 1.00 65.14 C ATOM 231 O GLN A 16 3.532 -7.556 -1.041 1.00 71.30 O ATOM 232 CB GLN A 16 2.182 -8.750 1.758 1.00 3.31 C ATOM 233 CG GLN A 16 2.868 -9.525 2.890 1.00 52.53 C ATOM 234 CD GLN A 16 2.071 -10.729 3.380 1.00 13.31 C ATOM 235 OE1 GLN A 16 1.333 -11.363 2.636 1.00 72.45 O ATOM 236 NE2 GLN A 16 2.313 -11.134 4.613 1.00 74.22 N ATOM 0 H GLN A 16 1.174 -6.589 1.135 1.00 72.24 H new ATOM 0 HA GLN A 16 3.707 -7.292 2.135 1.00 22.52 H new ATOM 0 HB2 GLN A 16 1.201 -8.410 2.089 1.00 3.31 H new ATOM 0 HB3 GLN A 16 2.020 -9.411 0.907 1.00 3.31 H new ATOM 0 HG2 GLN A 16 3.846 -9.863 2.546 1.00 52.53 H new ATOM 0 HG3 GLN A 16 3.041 -8.850 3.728 1.00 52.53 H new ATOM 0 HE21 GLN A 16 2.931 -10.591 5.216 1.00 74.22 H new ATOM 0 HE22 GLN A 16 1.882 -11.990 4.962 1.00 74.22 H new ATOM 245 N GLY A 17 5.015 -8.562 0.303 1.00 33.40 N ATOM 246 CA GLY A 17 5.866 -9.073 -0.779 1.00 61.13 C ATOM 247 C GLY A 17 5.561 -10.527 -1.137 1.00 62.14 C ATOM 248 O GLY A 17 6.196 -11.090 -2.029 1.00 41.12 O ATOM 0 H GLY A 17 5.367 -8.778 1.236 1.00 33.40 H new ATOM 0 HA2 GLY A 17 5.734 -8.450 -1.664 1.00 61.13 H new ATOM 0 HA3 GLY A 17 6.912 -8.988 -0.483 1.00 61.13 H new ATOM 252 N LEU A 18 4.639 -11.183 -0.430 1.00 41.01 N ATOM 253 CA LEU A 18 3.956 -12.353 -0.907 1.00 34.02 C ATOM 254 C LEU A 18 2.806 -11.960 -1.821 1.00 73.21 C ATOM 255 O LEU A 18 2.325 -10.828 -1.840 1.00 33.43 O ATOM 256 CB LEU A 18 3.387 -13.115 0.280 1.00 11.03 C ATOM 257 CG LEU A 18 4.461 -13.637 1.226 1.00 20.32 C ATOM 258 CD1 LEU A 18 4.040 -13.271 2.647 1.00 3.34 C ATOM 259 CD2 LEU A 18 4.792 -15.059 1.117 1.00 74.23 C ATOM 0 H LEU A 18 4.352 -10.898 0.506 1.00 41.01 H new ATOM 0 HA LEU A 18 4.664 -12.971 -1.460 1.00 34.02 H new ATOM 0 HB2 LEU A 18 2.711 -12.463 0.832 1.00 11.03 H new ATOM 0 HB3 LEU A 18 2.794 -13.954 -0.085 1.00 11.03 H new ATOM 0 HG LEU A 18 5.395 -13.156 0.935 1.00 20.32 H new ATOM 0 HD11 LEU A 18 4.789 -13.631 3.352 1.00 3.34 H new ATOM 0 HD12 LEU A 18 3.952 -12.188 2.733 1.00 3.34 H new ATOM 0 HD13 LEU A 18 3.078 -13.732 2.872 1.00 3.34 H new ATOM 0 HD21 LEU A 18 5.568 -15.309 1.841 1.00 74.23 H new ATOM 0 HD22 LEU A 18 3.903 -15.656 1.318 1.00 74.23 H new ATOM 0 HD23 LEU A 18 5.152 -15.273 0.111 1.00 74.23 H new ATOM 271 N THR A 19 2.339 -12.965 -2.526 1.00 31.42 N ATOM 272 CA THR A 19 1.225 -12.889 -3.453 1.00 1.44 C ATOM 273 C THR A 19 -0.110 -12.971 -2.711 1.00 71.13 C ATOM 274 O THR A 19 -0.156 -13.303 -1.526 1.00 72.32 O ATOM 275 CB THR A 19 1.340 -14.012 -4.492 1.00 53.34 C ATOM 276 OG1 THR A 19 1.580 -15.250 -3.852 1.00 65.32 O ATOM 277 CG2 THR A 19 2.460 -13.756 -5.496 1.00 3.13 C ATOM 0 H THR A 19 2.741 -13.901 -2.469 1.00 31.42 H new ATOM 0 HA THR A 19 1.260 -11.928 -3.965 1.00 1.44 H new ATOM 0 HB THR A 19 0.393 -14.040 -5.031 1.00 53.34 H new ATOM 0 HG1 THR A 19 1.808 -15.927 -4.523 1.00 65.32 H new ATOM 0 HG21 THR A 19 2.502 -14.578 -6.211 1.00 3.13 H new ATOM 0 HG22 THR A 19 2.267 -12.823 -6.026 1.00 3.13 H new ATOM 0 HG23 THR A 19 3.411 -13.684 -4.969 1.00 3.13 H new ATOM 285 N ARG A 20 -1.208 -12.816 -3.450 1.00 43.41 N ATOM 286 CA ARG A 20 -2.549 -13.275 -3.089 1.00 43.44 C ATOM 287 C ARG A 20 -2.626 -14.752 -2.686 1.00 15.12 C ATOM 288 O ARG A 20 -3.558 -15.147 -1.987 1.00 63.20 O ATOM 289 CB ARG A 20 -3.472 -13.007 -4.280 1.00 22.14 C ATOM 290 CG ARG A 20 -3.084 -13.765 -5.559 1.00 62.42 C ATOM 291 CD ARG A 20 -3.940 -13.268 -6.722 1.00 51.54 C ATOM 292 NE ARG A 20 -5.294 -13.822 -6.741 1.00 31.31 N ATOM 293 CZ ARG A 20 -5.650 -15.054 -7.106 1.00 32.41 C ATOM 294 NH1 ARG A 20 -4.734 -15.969 -7.415 1.00 72.31 N ATOM 295 NH2 ARG A 20 -6.933 -15.372 -7.166 1.00 22.55 N ATOM 0 H ARG A 20 -1.186 -12.347 -4.356 1.00 43.41 H new ATOM 0 HA ARG A 20 -2.856 -12.722 -2.201 1.00 43.44 H new ATOM 0 HB2 ARG A 20 -4.491 -13.279 -4.004 1.00 22.14 H new ATOM 0 HB3 ARG A 20 -3.474 -11.938 -4.491 1.00 22.14 H new ATOM 0 HG2 ARG A 20 -2.027 -13.612 -5.779 1.00 62.42 H new ATOM 0 HG3 ARG A 20 -3.229 -14.836 -5.418 1.00 62.42 H new ATOM 0 HD2 ARG A 20 -4.003 -12.181 -6.675 1.00 51.54 H new ATOM 0 HD3 ARG A 20 -3.443 -13.518 -7.659 1.00 51.54 H new ATOM 0 HE ARG A 20 -6.045 -13.200 -6.443 1.00 31.31 H new ATOM 0 HH11 ARG A 20 -3.743 -15.732 -7.374 1.00 72.31 H new ATOM 0 HH12 ARG A 20 -5.023 -16.907 -7.692 1.00 72.31 H new ATOM 0 HH21 ARG A 20 -7.642 -14.677 -6.934 1.00 22.55 H new ATOM 0 HH22 ARG A 20 -7.213 -16.313 -7.444 1.00 22.55 H new ATOM 309 N ALA A 21 -1.667 -15.574 -3.133 1.00 71.22 N ATOM 310 CA ALA A 21 -1.495 -16.964 -2.718 1.00 21.34 C ATOM 311 C ALA A 21 -0.630 -17.111 -1.456 1.00 61.01 C ATOM 312 O ALA A 21 -0.382 -18.234 -1.002 1.00 14.02 O ATOM 313 CB ALA A 21 -0.880 -17.768 -3.874 1.00 13.34 C ATOM 0 H ALA A 21 -0.970 -15.276 -3.815 1.00 71.22 H new ATOM 0 HA ALA A 21 -2.482 -17.352 -2.467 1.00 21.34 H new ATOM 0 HB1 ALA A 21 -0.751 -18.806 -3.567 1.00 13.34 H new ATOM 0 HB2 ALA A 21 -1.542 -17.725 -4.739 1.00 13.34 H new ATOM 0 HB3 ALA A 21 0.089 -17.344 -4.137 1.00 13.34 H new ATOM 319 N GLY A 22 -0.149 -16.005 -0.885 1.00 53.35 N ATOM 320 CA GLY A 22 0.782 -16.016 0.215 1.00 31.11 C ATOM 321 C GLY A 22 2.090 -16.662 -0.211 1.00 73.40 C ATOM 322 O GLY A 22 2.551 -17.547 0.507 1.00 54.42 O ATOM 0 H GLY A 22 -0.408 -15.066 -1.189 1.00 53.35 H new ATOM 0 HA2 GLY A 22 0.965 -14.997 0.556 1.00 31.11 H new ATOM 0 HA3 GLY A 22 0.355 -16.562 1.057 1.00 31.11 H new ATOM 326 N LYS A 23 2.704 -16.266 -1.337 1.00 51.25 N ATOM 327 CA LYS A 23 4.093 -16.658 -1.609 1.00 2.00 C ATOM 328 C LYS A 23 5.018 -15.613 -2.209 1.00 54.03 C ATOM 329 O LYS A 23 4.557 -14.731 -2.915 1.00 42.54 O ATOM 330 CB LYS A 23 4.101 -17.823 -2.586 1.00 44.12 C ATOM 331 CG LYS A 23 4.197 -19.173 -1.878 1.00 33.23 C ATOM 332 CD LYS A 23 2.888 -20.009 -1.918 1.00 34.41 C ATOM 333 CE LYS A 23 3.280 -21.467 -2.019 1.00 72.22 C ATOM 334 NZ LYS A 23 2.177 -22.432 -2.057 1.00 32.54 N ATOM 0 H LYS A 23 2.272 -15.688 -2.058 1.00 51.25 H new ATOM 0 HA LYS A 23 4.480 -16.878 -0.614 1.00 2.00 H new ATOM 0 HB2 LYS A 23 3.193 -17.795 -3.189 1.00 44.12 H new ATOM 0 HB3 LYS A 23 4.942 -17.714 -3.271 1.00 44.12 H new ATOM 0 HG2 LYS A 23 4.999 -19.753 -2.334 1.00 33.23 H new ATOM 0 HG3 LYS A 23 4.476 -19.006 -0.838 1.00 33.23 H new ATOM 0 HD2 LYS A 23 2.294 -19.833 -1.021 1.00 34.41 H new ATOM 0 HD3 LYS A 23 2.273 -19.718 -2.770 1.00 34.41 H new ATOM 0 HE2 LYS A 23 3.882 -21.599 -2.918 1.00 72.22 H new ATOM 0 HE3 LYS A 23 3.919 -21.710 -1.170 1.00 72.22 H new ATOM 0 HZ1 LYS A 23 2.561 -23.396 -2.126 1.00 32.54 H new ATOM 0 HZ2 LYS A 23 1.611 -22.347 -1.189 1.00 32.54 H new ATOM 0 HZ3 LYS A 23 1.575 -22.239 -2.883 1.00 32.54 H new ATOM 348 N PRO A 24 6.329 -15.710 -1.925 1.00 4.40 N ATOM 349 CA PRO A 24 7.223 -14.591 -2.093 1.00 13.33 C ATOM 350 C PRO A 24 7.474 -14.401 -3.573 1.00 70.22 C ATOM 351 O PRO A 24 7.858 -15.322 -4.299 1.00 31.43 O ATOM 352 CB PRO A 24 8.462 -14.926 -1.297 1.00 52.13 C ATOM 353 CG PRO A 24 8.499 -16.447 -1.324 1.00 10.24 C ATOM 354 CD PRO A 24 7.011 -16.828 -1.290 1.00 52.42 C ATOM 0 HA PRO A 24 6.825 -13.644 -1.730 1.00 13.33 H new ATOM 0 HB2 PRO A 24 9.357 -14.494 -1.746 1.00 52.13 H new ATOM 0 HB3 PRO A 24 8.400 -14.544 -0.278 1.00 52.13 H new ATOM 0 HG2 PRO A 24 8.992 -16.823 -2.221 1.00 10.24 H new ATOM 0 HG3 PRO A 24 9.040 -16.853 -0.469 1.00 10.24 H new ATOM 0 HD2 PRO A 24 6.828 -17.759 -1.826 1.00 52.42 H new ATOM 0 HD3 PRO A 24 6.663 -16.975 -0.268 1.00 52.42 H new ATOM 362 N PHE A 25 7.192 -13.189 -4.000 1.00 10.02 N ATOM 363 CA PHE A 25 7.124 -12.818 -5.393 1.00 42.51 C ATOM 364 C PHE A 25 8.488 -12.259 -5.812 1.00 65.02 C ATOM 365 O PHE A 25 9.180 -11.615 -5.011 1.00 42.15 O ATOM 366 CB PHE A 25 5.946 -11.843 -5.495 1.00 21.24 C ATOM 367 CG PHE A 25 6.003 -10.877 -6.656 1.00 23.14 C ATOM 368 CD1 PHE A 25 5.640 -11.306 -7.944 1.00 1.10 C ATOM 369 CD2 PHE A 25 6.413 -9.549 -6.448 1.00 71.23 C ATOM 370 CE1 PHE A 25 5.673 -10.400 -9.016 1.00 41.04 C ATOM 371 CE2 PHE A 25 6.411 -8.636 -7.514 1.00 11.24 C ATOM 372 CZ PHE A 25 6.036 -9.060 -8.798 1.00 63.25 C ATOM 0 H PHE A 25 6.998 -12.413 -3.367 1.00 10.02 H new ATOM 0 HA PHE A 25 6.938 -13.640 -6.084 1.00 42.51 H new ATOM 0 HB2 PHE A 25 5.024 -12.420 -5.569 1.00 21.24 H new ATOM 0 HB3 PHE A 25 5.890 -11.270 -4.570 1.00 21.24 H new ATOM 0 HD1 PHE A 25 5.337 -12.329 -8.109 1.00 1.10 H new ATOM 0 HD2 PHE A 25 6.730 -9.230 -5.466 1.00 71.23 H new ATOM 0 HE1 PHE A 25 5.419 -10.734 -10.011 1.00 41.04 H new ATOM 0 HE2 PHE A 25 6.698 -7.608 -7.346 1.00 11.24 H new ATOM 0 HZ PHE A 25 6.026 -8.357 -9.618 1.00 63.25 H new ATOM 382 N ARG A 26 8.914 -12.552 -7.045 1.00 52.11 N ATOM 383 CA ARG A 26 10.137 -12.009 -7.614 1.00 32.03 C ATOM 384 C ARG A 26 9.784 -10.949 -8.656 1.00 5.42 C ATOM 385 O ARG A 26 8.719 -11.025 -9.265 1.00 21.55 O ATOM 386 CB ARG A 26 10.984 -13.106 -8.279 1.00 45.44 C ATOM 387 CG ARG A 26 11.929 -13.829 -7.304 1.00 0.45 C ATOM 388 CD ARG A 26 13.413 -13.501 -7.570 1.00 61.15 C ATOM 389 NE ARG A 26 14.146 -13.046 -6.380 1.00 25.34 N ATOM 390 CZ ARG A 26 14.315 -13.755 -5.257 1.00 21.02 C ATOM 391 NH1 ARG A 26 13.877 -15.006 -5.162 1.00 62.21 N ATOM 392 NH2 ARG A 26 14.921 -13.194 -4.220 1.00 72.31 N ATOM 0 H ARG A 26 8.412 -13.177 -7.675 1.00 52.11 H new ATOM 0 HA ARG A 26 10.720 -11.569 -6.805 1.00 32.03 H new ATOM 0 HB2 ARG A 26 10.320 -13.838 -8.738 1.00 45.44 H new ATOM 0 HB3 ARG A 26 11.573 -12.662 -9.082 1.00 45.44 H new ATOM 0 HG2 ARG A 26 11.675 -13.549 -6.282 1.00 0.45 H new ATOM 0 HG3 ARG A 26 11.777 -14.905 -7.386 1.00 0.45 H new ATOM 0 HD2 ARG A 26 13.905 -14.388 -7.970 1.00 61.15 H new ATOM 0 HD3 ARG A 26 13.472 -12.730 -8.338 1.00 61.15 H new ATOM 0 HE ARG A 26 14.560 -12.114 -6.412 1.00 25.34 H new ATOM 0 HH11 ARG A 26 13.403 -15.442 -5.953 1.00 62.21 H new ATOM 0 HH12 ARG A 26 14.015 -15.530 -4.298 1.00 62.21 H new ATOM 0 HH21 ARG A 26 15.253 -12.232 -4.283 1.00 72.31 H new ATOM 0 HH22 ARG A 26 15.055 -13.725 -3.359 1.00 72.31 H new ATOM 406 N PRO A 27 10.725 -10.051 -8.971 1.00 41.00 N ATOM 407 CA PRO A 27 11.964 -9.874 -8.232 1.00 52.03 C ATOM 408 C PRO A 27 11.655 -9.295 -6.843 1.00 65.33 C ATOM 409 O PRO A 27 10.712 -8.521 -6.692 1.00 53.01 O ATOM 410 CB PRO A 27 12.786 -8.915 -9.095 1.00 3.14 C ATOM 411 CG PRO A 27 11.728 -8.092 -9.812 1.00 54.52 C ATOM 412 CD PRO A 27 10.646 -9.128 -10.086 1.00 23.25 C ATOM 0 HA PRO A 27 12.507 -10.802 -8.055 1.00 52.03 H new ATOM 0 HB2 PRO A 27 13.440 -8.288 -8.488 1.00 3.14 H new ATOM 0 HB3 PRO A 27 13.422 -9.452 -9.798 1.00 3.14 H new ATOM 0 HG2 PRO A 27 11.361 -7.273 -9.193 1.00 54.52 H new ATOM 0 HG3 PRO A 27 12.110 -7.650 -10.732 1.00 54.52 H new ATOM 0 HD2 PRO A 27 9.661 -8.665 -10.147 1.00 23.25 H new ATOM 0 HD3 PRO A 27 10.818 -9.638 -11.034 1.00 23.25 H new ATOM 420 N SER A 28 12.428 -9.669 -5.815 1.00 15.33 N ATOM 421 CA SER A 28 12.197 -9.161 -4.454 1.00 40.40 C ATOM 422 C SER A 28 12.408 -7.635 -4.417 1.00 71.32 C ATOM 423 O SER A 28 11.813 -6.939 -3.595 1.00 55.04 O ATOM 424 CB SER A 28 13.117 -9.891 -3.458 1.00 71.12 C ATOM 425 OG SER A 28 12.482 -10.189 -2.225 1.00 41.23 O ATOM 0 H SER A 28 13.212 -10.316 -5.897 1.00 15.33 H new ATOM 0 HA SER A 28 11.166 -9.359 -4.160 1.00 40.40 H new ATOM 0 HB2 SER A 28 13.469 -10.818 -3.911 1.00 71.12 H new ATOM 0 HB3 SER A 28 13.996 -9.275 -3.267 1.00 71.12 H new ATOM 0 HG SER A 28 13.113 -10.653 -1.636 1.00 41.23 H new ATOM 431 N ASP A 29 13.182 -7.131 -5.382 1.00 12.10 N ATOM 432 CA ASP A 29 13.513 -5.747 -5.683 1.00 5.21 C ATOM 433 C ASP A 29 12.290 -4.877 -5.946 1.00 54.41 C ATOM 434 O ASP A 29 12.440 -3.664 -6.031 1.00 12.35 O ATOM 435 CB ASP A 29 14.365 -5.701 -6.963 1.00 72.35 C ATOM 436 CG ASP A 29 15.634 -6.539 -6.891 1.00 73.31 C ATOM 437 OD1 ASP A 29 15.503 -7.782 -7.033 1.00 3.41 O ATOM 438 OD2 ASP A 29 16.723 -5.941 -6.772 1.00 21.32 O ATOM 0 H ASP A 29 13.640 -7.759 -6.042 1.00 12.10 H new ATOM 0 HA ASP A 29 14.036 -5.362 -4.807 1.00 5.21 H new ATOM 0 HB2 ASP A 29 13.761 -6.046 -7.802 1.00 72.35 H new ATOM 0 HB3 ASP A 29 14.636 -4.666 -7.170 1.00 72.35 H new ATOM 443 N TRP A 30 11.086 -5.440 -6.116 1.00 25.43 N ATOM 444 CA TRP A 30 9.876 -4.677 -6.418 1.00 31.42 C ATOM 445 C TRP A 30 9.644 -3.539 -5.420 1.00 23.24 C ATOM 446 O TRP A 30 9.179 -2.469 -5.806 1.00 11.00 O ATOM 447 CB TRP A 30 8.672 -5.627 -6.508 1.00 43.34 C ATOM 448 CG TRP A 30 8.119 -6.114 -5.202 1.00 43.10 C ATOM 449 CD1 TRP A 30 8.392 -7.287 -4.591 1.00 34.20 C ATOM 450 CD2 TRP A 30 7.189 -5.416 -4.324 1.00 44.52 C ATOM 451 NE1 TRP A 30 7.724 -7.346 -3.380 1.00 3.33 N ATOM 452 CE2 TRP A 30 6.940 -6.227 -3.179 1.00 31.42 C ATOM 453 CE3 TRP A 30 6.541 -4.163 -4.385 1.00 34.33 C ATOM 454 CZ2 TRP A 30 6.080 -5.811 -2.149 1.00 4.01 C ATOM 455 CZ3 TRP A 30 5.683 -3.742 -3.358 1.00 15.41 C ATOM 456 CH2 TRP A 30 5.456 -4.564 -2.248 1.00 23.24 C ATOM 0 H TRP A 30 10.927 -6.445 -6.046 1.00 25.43 H new ATOM 0 HA TRP A 30 10.006 -4.196 -7.387 1.00 31.42 H new ATOM 0 HB2 TRP A 30 7.874 -5.120 -7.051 1.00 43.34 H new ATOM 0 HB3 TRP A 30 8.962 -6.493 -7.103 1.00 43.34 H new ATOM 0 HD1 TRP A 30 9.033 -8.061 -4.987 1.00 34.20 H new ATOM 0 HE1 TRP A 30 7.801 -8.119 -2.719 1.00 3.33 H new ATOM 0 HE3 TRP A 30 6.708 -3.519 -5.235 1.00 34.33 H new ATOM 0 HZ2 TRP A 30 5.903 -6.445 -1.293 1.00 4.01 H new ATOM 0 HZ3 TRP A 30 5.196 -2.780 -3.424 1.00 15.41 H new ATOM 0 HH2 TRP A 30 4.794 -4.232 -1.462 1.00 23.24 H new ATOM 467 N VAL A 31 10.012 -3.751 -4.157 1.00 23.41 N ATOM 468 CA VAL A 31 9.950 -2.763 -3.092 1.00 45.14 C ATOM 469 C VAL A 31 10.851 -1.570 -3.433 1.00 3.14 C ATOM 470 O VAL A 31 10.421 -0.415 -3.364 1.00 40.42 O ATOM 471 CB VAL A 31 10.355 -3.471 -1.783 1.00 61.51 C ATOM 472 CG1 VAL A 31 10.561 -2.514 -0.610 1.00 31.43 C ATOM 473 CG2 VAL A 31 9.295 -4.513 -1.398 1.00 12.33 C ATOM 0 H VAL A 31 10.374 -4.650 -3.841 1.00 23.41 H new ATOM 0 HA VAL A 31 8.945 -2.357 -2.973 1.00 45.14 H new ATOM 0 HB VAL A 31 11.315 -3.948 -1.982 1.00 61.51 H new ATOM 0 HG11 VAL A 31 10.844 -3.081 0.277 1.00 31.43 H new ATOM 0 HG12 VAL A 31 11.351 -1.804 -0.854 1.00 31.43 H new ATOM 0 HG13 VAL A 31 9.635 -1.973 -0.415 1.00 31.43 H new ATOM 0 HG21 VAL A 31 9.590 -5.007 -0.472 1.00 12.33 H new ATOM 0 HG22 VAL A 31 8.334 -4.019 -1.255 1.00 12.33 H new ATOM 0 HG23 VAL A 31 9.207 -5.254 -2.193 1.00 12.33 H new ATOM 483 N ASP A 32 12.102 -1.841 -3.803 1.00 3.44 N ATOM 484 CA ASP A 32 13.081 -0.807 -4.097 1.00 63.55 C ATOM 485 C ASP A 32 12.739 -0.138 -5.422 1.00 12.22 C ATOM 486 O ASP A 32 12.819 1.087 -5.516 1.00 42.40 O ATOM 487 CB ASP A 32 14.508 -1.366 -4.101 1.00 4.20 C ATOM 488 CG ASP A 32 15.071 -1.374 -2.683 1.00 22.12 C ATOM 489 OD1 ASP A 32 14.837 -2.366 -1.955 1.00 35.02 O ATOM 490 OD2 ASP A 32 15.716 -0.381 -2.274 1.00 11.11 O ATOM 0 H ASP A 32 12.462 -2.790 -3.906 1.00 3.44 H new ATOM 0 HA ASP A 32 13.042 -0.057 -3.307 1.00 63.55 H new ATOM 0 HB2 ASP A 32 14.510 -2.378 -4.507 1.00 4.20 H new ATOM 0 HB3 ASP A 32 15.142 -0.761 -4.749 1.00 4.20 H new ATOM 495 N ARG A 33 12.289 -0.891 -6.432 1.00 72.23 N ATOM 496 CA ARG A 33 11.840 -0.302 -7.697 1.00 33.44 C ATOM 497 C ARG A 33 10.634 0.605 -7.459 1.00 25.20 C ATOM 498 O ARG A 33 10.562 1.653 -8.103 1.00 63.45 O ATOM 499 CB ARG A 33 11.547 -1.351 -8.791 1.00 50.24 C ATOM 500 CG ARG A 33 12.786 -2.154 -9.238 1.00 61.44 C ATOM 501 CD ARG A 33 12.676 -2.731 -10.666 1.00 45.13 C ATOM 502 NE ARG A 33 12.915 -1.737 -11.732 1.00 12.20 N ATOM 503 CZ ARG A 33 13.948 -1.664 -12.589 1.00 41.22 C ATOM 504 NH1 ARG A 33 14.953 -2.533 -12.547 1.00 3.20 N ATOM 505 NH2 ARG A 33 13.965 -0.708 -13.514 1.00 71.32 N ATOM 0 H ARG A 33 12.226 -1.908 -6.397 1.00 72.23 H new ATOM 0 HA ARG A 33 12.667 0.297 -8.078 1.00 33.44 H new ATOM 0 HB2 ARG A 33 10.791 -2.044 -8.422 1.00 50.24 H new ATOM 0 HB3 ARG A 33 11.121 -0.847 -9.659 1.00 50.24 H new ATOM 0 HG2 ARG A 33 13.663 -1.510 -9.184 1.00 61.44 H new ATOM 0 HG3 ARG A 33 12.948 -2.973 -8.537 1.00 61.44 H new ATOM 0 HD2 ARG A 33 13.392 -3.545 -10.775 1.00 45.13 H new ATOM 0 HD3 ARG A 33 11.683 -3.160 -10.799 1.00 45.13 H new ATOM 0 HE ARG A 33 12.204 -1.012 -11.831 1.00 12.20 H new ATOM 0 HH11 ARG A 33 14.953 -3.279 -11.852 1.00 3.20 H new ATOM 0 HH12 ARG A 33 15.724 -2.453 -13.210 1.00 3.20 H new ATOM 0 HH21 ARG A 33 13.198 -0.038 -13.569 1.00 71.32 H new ATOM 0 HH22 ARG A 33 14.745 -0.645 -14.168 1.00 71.32 H new ATOM 519 N MET A 34 9.721 0.274 -6.536 1.00 35.34 N ATOM 520 CA MET A 34 8.642 1.163 -6.165 1.00 12.42 C ATOM 521 C MET A 34 9.197 2.443 -5.575 1.00 31.12 C ATOM 522 O MET A 34 8.933 3.506 -6.125 1.00 52.23 O ATOM 523 CB MET A 34 7.700 0.475 -5.179 1.00 23.22 C ATOM 524 CG MET A 34 6.516 -0.101 -5.926 1.00 43.34 C ATOM 525 SD MET A 34 5.315 1.214 -6.266 1.00 31.22 S ATOM 526 CE MET A 34 4.092 0.237 -7.138 1.00 43.43 C ATOM 0 H MET A 34 9.720 -0.615 -6.035 1.00 35.34 H new ATOM 0 HA MET A 34 8.073 1.416 -7.059 1.00 12.42 H new ATOM 0 HB2 MET A 34 8.228 -0.317 -4.648 1.00 23.22 H new ATOM 0 HB3 MET A 34 7.358 1.188 -4.429 1.00 23.22 H new ATOM 0 HG2 MET A 34 6.848 -0.555 -6.860 1.00 43.34 H new ATOM 0 HG3 MET A 34 6.050 -0.890 -5.336 1.00 43.34 H new ATOM 0 HE1 MET A 34 3.221 0.855 -7.357 1.00 43.43 H new ATOM 0 HE2 MET A 34 4.519 -0.132 -8.070 1.00 43.43 H new ATOM 0 HE3 MET A 34 3.791 -0.607 -6.518 1.00 43.43 H new ATOM 536 N CYS A 35 9.979 2.385 -4.493 1.00 11.12 N ATOM 537 CA CYS A 35 10.421 3.629 -3.871 1.00 30.40 C ATOM 538 C CYS A 35 11.201 4.495 -4.867 1.00 71.05 C ATOM 539 O CYS A 35 10.970 5.702 -4.921 1.00 13.32 O ATOM 540 CB CYS A 35 11.160 3.353 -2.563 1.00 61.42 C ATOM 541 SG CYS A 35 12.769 2.554 -2.767 1.00 15.51 S ATOM 0 H CYS A 35 10.306 1.528 -4.047 1.00 11.12 H new ATOM 0 HA CYS A 35 9.549 4.221 -3.593 1.00 30.40 H new ATOM 0 HB2 CYS A 35 11.301 4.295 -2.034 1.00 61.42 H new ATOM 0 HB3 CYS A 35 10.533 2.723 -1.932 1.00 61.42 H new ATOM 0 HG CYS A 35 13.697 3.461 -2.849 1.00 15.51 H new ATOM 547 N SER A 36 12.021 3.878 -5.720 1.00 22.25 N ATOM 548 CA SER A 36 12.770 4.525 -6.787 1.00 43.13 C ATOM 549 C SER A 36 11.891 5.123 -7.898 1.00 31.14 C ATOM 550 O SER A 36 12.377 5.999 -8.607 1.00 24.21 O ATOM 551 CB SER A 36 13.762 3.530 -7.378 1.00 51.32 C ATOM 552 OG SER A 36 14.540 2.898 -6.374 1.00 4.30 O ATOM 0 H SER A 36 12.185 2.872 -5.680 1.00 22.25 H new ATOM 0 HA SER A 36 13.290 5.371 -6.337 1.00 43.13 H new ATOM 0 HB2 SER A 36 13.222 2.774 -7.948 1.00 51.32 H new ATOM 0 HB3 SER A 36 14.421 4.046 -8.077 1.00 51.32 H new ATOM 0 HG SER A 36 14.040 2.144 -5.999 1.00 4.30 H new ATOM 558 N THR A 37 10.630 4.696 -8.033 1.00 2.25 N ATOM 559 CA THR A 37 9.618 5.221 -8.956 1.00 44.42 C ATOM 560 C THR A 37 8.840 6.408 -8.354 1.00 23.03 C ATOM 561 O THR A 37 8.097 7.088 -9.066 1.00 3.15 O ATOM 562 CB THR A 37 8.688 4.048 -9.349 1.00 52.44 C ATOM 563 OG1 THR A 37 9.441 3.096 -10.083 1.00 21.34 O ATOM 564 CG2 THR A 37 7.461 4.423 -10.186 1.00 63.24 C ATOM 0 H THR A 37 10.268 3.929 -7.467 1.00 2.25 H new ATOM 0 HA THR A 37 10.101 5.623 -9.846 1.00 44.42 H new ATOM 0 HB THR A 37 8.303 3.662 -8.405 1.00 52.44 H new ATOM 0 HG1 THR A 37 9.710 2.364 -9.490 1.00 21.34 H new ATOM 0 HG21 THR A 37 6.881 3.526 -10.404 1.00 63.24 H new ATOM 0 HG22 THR A 37 6.843 5.129 -9.630 1.00 63.24 H new ATOM 0 HG23 THR A 37 7.784 4.882 -11.120 1.00 63.24 H new ATOM 572 N TYR A 38 8.998 6.683 -7.057 1.00 63.11 N ATOM 573 CA TYR A 38 8.287 7.756 -6.365 1.00 23.35 C ATOM 574 C TYR A 38 9.284 8.834 -5.887 1.00 34.24 C ATOM 575 O TYR A 38 8.868 9.841 -5.307 1.00 23.53 O ATOM 576 CB TYR A 38 7.398 7.138 -5.258 1.00 34.55 C ATOM 577 CG TYR A 38 6.144 6.401 -5.754 1.00 64.12 C ATOM 578 CD1 TYR A 38 6.240 5.288 -6.616 1.00 71.22 C ATOM 579 CD2 TYR A 38 4.857 6.811 -5.350 1.00 52.23 C ATOM 580 CE1 TYR A 38 5.101 4.667 -7.154 1.00 44.41 C ATOM 581 CE2 TYR A 38 3.707 6.198 -5.884 1.00 32.03 C ATOM 582 CZ TYR A 38 3.822 5.136 -6.807 1.00 11.21 C ATOM 583 OH TYR A 38 2.707 4.569 -7.336 1.00 52.33 O ATOM 0 H TYR A 38 9.631 6.160 -6.452 1.00 63.11 H new ATOM 0 HA TYR A 38 7.609 8.285 -7.035 1.00 23.35 H new ATOM 0 HB2 TYR A 38 8.002 6.441 -4.677 1.00 34.55 H new ATOM 0 HB3 TYR A 38 7.087 7.932 -4.580 1.00 34.55 H new ATOM 0 HD1 TYR A 38 7.217 4.903 -6.869 1.00 71.22 H new ATOM 0 HD2 TYR A 38 4.752 7.603 -4.624 1.00 52.23 H new ATOM 0 HE1 TYR A 38 5.207 3.833 -7.831 1.00 44.41 H new ATOM 0 HE2 TYR A 38 2.728 6.543 -5.585 1.00 32.03 H new ATOM 0 HH TYR A 38 1.911 4.999 -6.959 1.00 52.33 H new ATOM 593 N ALA A 39 10.583 8.650 -6.166 1.00 72.13 N ATOM 594 CA ALA A 39 11.717 9.444 -5.718 1.00 23.31 C ATOM 595 C ALA A 39 12.278 10.294 -6.866 1.00 71.21 C ATOM 596 O ALA A 39 11.874 10.100 -8.013 1.00 62.23 O ATOM 597 CB ALA A 39 12.766 8.439 -5.242 1.00 31.41 C ATOM 0 H ALA A 39 10.883 7.877 -6.760 1.00 72.13 H new ATOM 0 HA ALA A 39 11.427 10.135 -4.926 1.00 23.31 H new ATOM 0 HB1 ALA A 39 13.649 8.973 -4.890 1.00 31.41 H new ATOM 0 HB2 ALA A 39 12.355 7.842 -4.428 1.00 31.41 H new ATOM 0 HB3 ALA A 39 13.043 7.784 -6.068 1.00 31.41 H new ATOM 603 N SER A 40 13.262 11.162 -6.601 1.00 52.54 N ATOM 604 CA SER A 40 13.861 12.051 -7.624 1.00 63.15 C ATOM 605 C SER A 40 15.172 12.666 -7.158 1.00 15.02 C ATOM 606 O SER A 40 15.434 12.757 -5.955 1.00 15.14 O ATOM 607 CB SER A 40 12.911 13.201 -7.997 1.00 43.44 C ATOM 608 OG SER A 40 11.858 12.779 -8.842 1.00 21.12 O ATOM 0 H SER A 40 13.671 11.274 -5.673 1.00 52.54 H new ATOM 0 HA SER A 40 14.045 11.416 -8.491 1.00 63.15 H new ATOM 0 HB2 SER A 40 12.493 13.632 -7.088 1.00 43.44 H new ATOM 0 HB3 SER A 40 13.477 13.990 -8.493 1.00 43.44 H new ATOM 0 HG SER A 40 11.735 11.811 -8.753 1.00 21.12 H new ATOM 728 N ARG A 48 16.067 11.082 -3.609 1.00 74.43 N ATOM 729 CA ARG A 48 15.487 11.155 -2.286 1.00 33.34 C ATOM 730 C ARG A 48 14.230 10.323 -2.337 1.00 22.45 C ATOM 731 O ARG A 48 13.318 10.678 -3.084 1.00 14.52 O ATOM 732 CB ARG A 48 15.149 12.621 -1.993 1.00 2.42 C ATOM 733 CG ARG A 48 16.282 13.273 -1.199 1.00 64.31 C ATOM 734 CD ARG A 48 15.966 14.712 -0.792 1.00 4.43 C ATOM 735 NE ARG A 48 17.220 15.385 -0.436 1.00 53.30 N ATOM 736 CZ ARG A 48 17.569 15.989 0.698 1.00 1.31 C ATOM 737 NH1 ARG A 48 16.699 16.226 1.668 1.00 73.24 N ATOM 738 NH2 ARG A 48 18.828 16.362 0.849 1.00 32.35 N ATOM 0 HA ARG A 48 16.158 10.791 -1.508 1.00 33.34 H new ATOM 0 HB2 ARG A 48 14.992 13.160 -2.927 1.00 2.42 H new ATOM 0 HB3 ARG A 48 14.218 12.682 -1.430 1.00 2.42 H new ATOM 0 HG2 ARG A 48 16.480 12.682 -0.305 1.00 64.31 H new ATOM 0 HG3 ARG A 48 17.193 13.261 -1.797 1.00 64.31 H new ATOM 0 HD2 ARG A 48 15.474 15.237 -1.611 1.00 4.43 H new ATOM 0 HD3 ARG A 48 15.278 14.723 0.053 1.00 4.43 H new ATOM 0 HE ARG A 48 17.931 15.391 -1.167 1.00 53.30 H new ATOM 0 HH11 ARG A 48 15.725 15.943 1.560 1.00 73.24 H new ATOM 0 HH12 ARG A 48 17.003 16.691 2.523 1.00 73.24 H new ATOM 0 HH21 ARG A 48 19.505 16.185 0.107 1.00 32.35 H new ATOM 0 HH22 ARG A 48 19.123 16.827 1.708 1.00 32.35 H new ATOM 752 N TYR A 49 14.199 9.207 -1.612 1.00 5.24 N ATOM 753 CA TYR A 49 12.962 8.465 -1.458 1.00 3.24 C ATOM 754 C TYR A 49 12.004 9.347 -0.671 1.00 22.02 C ATOM 755 O TYR A 49 12.402 9.960 0.323 1.00 45.32 O ATOM 756 CB TYR A 49 13.217 7.128 -0.758 1.00 35.44 C ATOM 757 CG TYR A 49 14.204 6.231 -1.486 1.00 73.03 C ATOM 758 CD1 TYR A 49 13.953 5.824 -2.810 1.00 34.24 C ATOM 759 CD2 TYR A 49 15.376 5.799 -0.842 1.00 34.53 C ATOM 760 CE1 TYR A 49 14.864 4.999 -3.492 1.00 23.44 C ATOM 761 CE2 TYR A 49 16.267 4.935 -1.500 1.00 64.43 C ATOM 762 CZ TYR A 49 16.022 4.533 -2.831 1.00 54.20 C ATOM 763 OH TYR A 49 16.922 3.735 -3.472 1.00 0.44 O ATOM 0 H TYR A 49 15.005 8.806 -1.131 1.00 5.24 H new ATOM 0 HA TYR A 49 12.527 8.222 -2.427 1.00 3.24 H new ATOM 0 HB2 TYR A 49 13.590 7.321 0.248 1.00 35.44 H new ATOM 0 HB3 TYR A 49 12.270 6.599 -0.651 1.00 35.44 H new ATOM 0 HD1 TYR A 49 13.051 6.149 -3.307 1.00 34.24 H new ATOM 0 HD2 TYR A 49 15.592 6.132 0.162 1.00 34.53 H new ATOM 0 HE1 TYR A 49 14.679 4.722 -4.519 1.00 23.44 H new ATOM 0 HE2 TYR A 49 17.145 4.576 -0.984 1.00 64.43 H new ATOM 0 HH TYR A 49 17.656 3.513 -2.861 1.00 0.44 H new ATOM 773 N SER A 50 10.765 9.460 -1.133 1.00 30.14 N ATOM 774 CA SER A 50 9.742 10.145 -0.368 1.00 14.12 C ATOM 775 C SER A 50 9.508 9.415 0.965 1.00 74.54 C ATOM 776 O SER A 50 9.477 8.182 0.988 1.00 14.42 O ATOM 777 CB SER A 50 8.465 10.185 -1.200 1.00 33.31 C ATOM 778 OG SER A 50 8.660 11.030 -2.323 1.00 1.41 O ATOM 0 H SER A 50 10.450 9.087 -2.029 1.00 30.14 H new ATOM 0 HA SER A 50 10.056 11.163 -0.140 1.00 14.12 H new ATOM 0 HB2 SER A 50 8.201 9.180 -1.529 1.00 33.31 H new ATOM 0 HB3 SER A 50 7.635 10.551 -0.595 1.00 33.31 H new ATOM 0 HG SER A 50 8.699 10.487 -3.138 1.00 1.41 H new ATOM 784 N PRO A 51 9.232 10.150 2.055 1.00 65.40 N ATOM 785 CA PRO A 51 9.167 9.593 3.403 1.00 25.41 C ATOM 786 C PRO A 51 7.957 8.695 3.643 1.00 42.40 C ATOM 787 O PRO A 51 7.971 7.918 4.598 1.00 74.20 O ATOM 788 CB PRO A 51 9.097 10.807 4.329 1.00 33.31 C ATOM 789 CG PRO A 51 8.462 11.882 3.451 1.00 35.30 C ATOM 790 CD PRO A 51 9.118 11.597 2.112 1.00 23.31 C ATOM 0 HA PRO A 51 10.032 8.953 3.577 1.00 25.41 H new ATOM 0 HB2 PRO A 51 8.495 10.603 5.214 1.00 33.31 H new ATOM 0 HB3 PRO A 51 10.086 11.105 4.678 1.00 33.31 H new ATOM 0 HG2 PRO A 51 7.377 11.788 3.406 1.00 35.30 H new ATOM 0 HG3 PRO A 51 8.680 12.888 3.810 1.00 35.30 H new ATOM 0 HD2 PRO A 51 8.516 11.979 1.287 1.00 23.31 H new ATOM 0 HD3 PRO A 51 10.096 12.074 2.041 1.00 23.31 H new ATOM 798 N TYR A 52 6.917 8.826 2.813 1.00 4.21 N ATOM 799 CA TYR A 52 5.656 8.105 2.913 1.00 15.30 C ATOM 800 C TYR A 52 5.771 6.631 2.517 1.00 2.40 C ATOM 801 O TYR A 52 4.748 5.964 2.390 1.00 63.01 O ATOM 802 CB TYR A 52 4.592 8.814 2.047 1.00 75.34 C ATOM 803 CG TYR A 52 4.317 10.275 2.383 1.00 32.53 C ATOM 804 CD1 TYR A 52 3.971 10.676 3.690 1.00 25.01 C ATOM 805 CD2 TYR A 52 4.388 11.245 1.369 1.00 4.41 C ATOM 806 CE1 TYR A 52 3.776 12.037 3.997 1.00 22.30 C ATOM 807 CE2 TYR A 52 4.175 12.603 1.661 1.00 10.42 C ATOM 808 CZ TYR A 52 3.903 13.010 2.981 1.00 2.13 C ATOM 809 OH TYR A 52 3.755 14.336 3.252 1.00 21.23 O ATOM 0 H TYR A 52 6.938 9.467 2.020 1.00 4.21 H new ATOM 0 HA TYR A 52 5.358 8.115 3.962 1.00 15.30 H new ATOM 0 HB2 TYR A 52 4.904 8.755 1.004 1.00 75.34 H new ATOM 0 HB3 TYR A 52 3.657 8.261 2.132 1.00 75.34 H new ATOM 0 HD1 TYR A 52 3.854 9.932 4.464 1.00 25.01 H new ATOM 0 HD2 TYR A 52 4.608 10.944 0.355 1.00 4.41 H new ATOM 0 HE1 TYR A 52 3.530 12.335 5.005 1.00 22.30 H new ATOM 0 HE2 TYR A 52 4.220 13.337 0.870 1.00 10.42 H new ATOM 0 HH TYR A 52 3.878 14.854 2.429 1.00 21.23 H new ATOM 819 N LEU A 53 6.970 6.124 2.229 1.00 12.34 N ATOM 820 CA LEU A 53 7.130 4.920 1.434 1.00 51.43 C ATOM 821 C LEU A 53 8.384 4.191 1.869 1.00 64.10 C ATOM 822 O LEU A 53 9.477 4.540 1.419 1.00 32.42 O ATOM 823 CB LEU A 53 7.209 5.347 -0.046 1.00 14.05 C ATOM 824 CG LEU A 53 5.872 5.116 -0.761 1.00 42.32 C ATOM 825 CD1 LEU A 53 5.802 5.917 -2.064 1.00 22.24 C ATOM 826 CD2 LEU A 53 5.708 3.622 -1.027 1.00 25.04 C ATOM 0 H LEU A 53 7.849 6.538 2.541 1.00 12.34 H new ATOM 0 HA LEU A 53 6.291 4.238 1.570 1.00 51.43 H new ATOM 0 HB2 LEU A 53 7.481 6.401 -0.109 1.00 14.05 H new ATOM 0 HB3 LEU A 53 7.995 4.784 -0.548 1.00 14.05 H new ATOM 0 HG LEU A 53 5.056 5.462 -0.126 1.00 42.32 H new ATOM 0 HD11 LEU A 53 4.844 5.736 -2.552 1.00 22.24 H new ATOM 0 HD12 LEU A 53 5.901 6.980 -1.844 1.00 22.24 H new ATOM 0 HD13 LEU A 53 6.611 5.607 -2.726 1.00 22.24 H new ATOM 0 HD21 LEU A 53 4.760 3.445 -1.535 1.00 25.04 H new ATOM 0 HD22 LEU A 53 6.528 3.272 -1.655 1.00 25.04 H new ATOM 0 HD23 LEU A 53 5.719 3.081 -0.081 1.00 25.04 H new ATOM 838 N LYS A 54 8.264 3.183 2.737 1.00 35.10 N ATOM 839 CA LYS A 54 9.435 2.520 3.316 1.00 24.11 C ATOM 840 C LYS A 54 9.269 1.001 3.320 1.00 2.45 C ATOM 841 O LYS A 54 8.140 0.523 3.408 1.00 64.13 O ATOM 842 CB LYS A 54 9.718 3.096 4.708 1.00 2.34 C ATOM 843 CG LYS A 54 10.193 4.559 4.573 1.00 55.00 C ATOM 844 CD LYS A 54 10.750 5.149 5.864 1.00 33.31 C ATOM 845 CE LYS A 54 9.674 5.120 6.948 1.00 13.45 C ATOM 846 NZ LYS A 54 10.150 5.754 8.185 1.00 11.20 N ATOM 0 H LYS A 54 7.370 2.809 3.054 1.00 35.10 H new ATOM 0 HA LYS A 54 10.308 2.720 2.694 1.00 24.11 H new ATOM 0 HB2 LYS A 54 8.819 3.050 5.322 1.00 2.34 H new ATOM 0 HB3 LYS A 54 10.479 2.500 5.212 1.00 2.34 H new ATOM 0 HG2 LYS A 54 10.960 4.612 3.800 1.00 55.00 H new ATOM 0 HG3 LYS A 54 9.358 5.172 4.235 1.00 55.00 H new ATOM 0 HD2 LYS A 54 11.622 4.581 6.188 1.00 33.31 H new ATOM 0 HD3 LYS A 54 11.081 6.173 5.694 1.00 33.31 H new ATOM 0 HE2 LYS A 54 8.782 5.635 6.592 1.00 13.45 H new ATOM 0 HE3 LYS A 54 9.387 4.088 7.152 1.00 13.45 H new ATOM 0 HZ1 LYS A 54 9.399 5.720 8.904 1.00 11.20 H new ATOM 0 HZ2 LYS A 54 10.988 5.247 8.535 1.00 11.20 H new ATOM 0 HZ3 LYS A 54 10.401 6.745 7.993 1.00 11.20 H new ATOM 860 N PRO A 55 10.361 0.225 3.215 1.00 33.43 N ATOM 861 CA PRO A 55 10.310 -1.231 3.241 1.00 51.34 C ATOM 862 C PRO A 55 9.920 -1.730 4.632 1.00 11.44 C ATOM 863 O PRO A 55 9.874 -0.967 5.606 1.00 70.02 O ATOM 864 CB PRO A 55 11.723 -1.688 2.850 1.00 31.13 C ATOM 865 CG PRO A 55 12.607 -0.542 3.325 1.00 23.54 C ATOM 866 CD PRO A 55 11.731 0.673 3.035 1.00 14.24 C ATOM 0 HA PRO A 55 9.561 -1.633 2.559 1.00 51.34 H new ATOM 0 HB2 PRO A 55 11.990 -2.628 3.333 1.00 31.13 H new ATOM 0 HB3 PRO A 55 11.812 -1.845 1.775 1.00 31.13 H new ATOM 0 HG2 PRO A 55 12.851 -0.626 4.384 1.00 23.54 H new ATOM 0 HG3 PRO A 55 13.552 -0.503 2.783 1.00 23.54 H new ATOM 0 HD2 PRO A 55 11.966 1.495 3.712 1.00 14.24 H new ATOM 0 HD3 PRO A 55 11.893 1.039 2.021 1.00 14.24 H new ATOM 874 N ARG A 56 9.696 -3.037 4.756 1.00 61.23 N ATOM 875 CA ARG A 56 9.663 -3.705 6.048 1.00 72.55 C ATOM 876 C ARG A 56 10.439 -5.024 5.955 1.00 33.23 C ATOM 877 O ARG A 56 11.207 -5.268 5.015 1.00 21.14 O ATOM 878 CB ARG A 56 8.204 -3.828 6.558 1.00 72.41 C ATOM 879 CG ARG A 56 7.904 -2.801 7.667 1.00 52.52 C ATOM 880 CD ARG A 56 6.725 -3.276 8.522 1.00 24.02 C ATOM 881 NE ARG A 56 6.204 -2.241 9.436 1.00 20.34 N ATOM 882 CZ ARG A 56 5.185 -2.398 10.297 1.00 42.21 C ATOM 883 NH1 ARG A 56 4.645 -3.593 10.509 1.00 62.53 N ATOM 884 NH2 ARG A 56 4.707 -1.358 10.970 1.00 74.15 N ATOM 0 H ARG A 56 9.533 -3.658 3.963 1.00 61.23 H new ATOM 0 HA ARG A 56 10.170 -3.114 6.811 1.00 72.55 H new ATOM 0 HB2 ARG A 56 7.514 -3.680 5.728 1.00 72.41 H new ATOM 0 HB3 ARG A 56 8.034 -4.835 6.938 1.00 72.41 H new ATOM 0 HG2 ARG A 56 8.785 -2.664 8.294 1.00 52.52 H new ATOM 0 HG3 ARG A 56 7.674 -1.832 7.223 1.00 52.52 H new ATOM 0 HD2 ARG A 56 5.921 -3.607 7.865 1.00 24.02 H new ATOM 0 HD3 ARG A 56 7.036 -4.142 9.106 1.00 24.02 H new ATOM 0 HE ARG A 56 6.657 -1.327 9.412 1.00 20.34 H new ATOM 0 HH11 ARG A 56 5.004 -4.410 10.014 1.00 62.53 H new ATOM 0 HH12 ARG A 56 3.872 -3.694 11.166 1.00 62.53 H new ATOM 0 HH21 ARG A 56 5.114 -0.432 10.835 1.00 74.15 H new ATOM 0 HH22 ARG A 56 3.933 -1.485 11.622 1.00 74.15 H new ATOM 898 N VAL A 57 10.272 -5.852 6.981 1.00 30.50 N ATOM 899 CA VAL A 57 10.519 -7.279 6.982 1.00 23.44 C ATOM 900 C VAL A 57 9.377 -7.842 7.829 1.00 12.31 C ATOM 901 O VAL A 57 9.301 -7.517 9.017 1.00 63.33 O ATOM 902 CB VAL A 57 11.925 -7.600 7.543 1.00 20.21 C ATOM 903 CG1 VAL A 57 12.145 -9.112 7.583 1.00 41.53 C ATOM 904 CG2 VAL A 57 13.062 -7.005 6.698 1.00 55.44 C ATOM 0 H VAL A 57 9.940 -5.519 7.886 1.00 30.50 H new ATOM 0 HA VAL A 57 10.528 -7.724 5.987 1.00 23.44 H new ATOM 0 HB VAL A 57 11.953 -7.157 8.538 1.00 20.21 H new ATOM 0 HG11 VAL A 57 13.138 -9.325 7.980 1.00 41.53 H new ATOM 0 HG12 VAL A 57 11.392 -9.572 8.223 1.00 41.53 H new ATOM 0 HG13 VAL A 57 12.062 -9.519 6.575 1.00 41.53 H new ATOM 0 HG21 VAL A 57 14.022 -7.266 7.144 1.00 55.44 H new ATOM 0 HG22 VAL A 57 13.011 -7.406 5.686 1.00 55.44 H new ATOM 0 HG23 VAL A 57 12.961 -5.920 6.664 1.00 55.44 H new ATOM 914 N ILE A 58 8.474 -8.604 7.207 1.00 4.01 N ATOM 915 CA ILE A 58 7.328 -9.284 7.807 1.00 32.12 C ATOM 916 C ILE A 58 7.603 -10.761 7.554 1.00 12.05 C ATOM 917 O ILE A 58 7.598 -11.183 6.398 1.00 0.01 O ATOM 918 CB ILE A 58 5.995 -8.844 7.142 1.00 32.04 C ATOM 919 CG1 ILE A 58 5.774 -7.315 7.147 1.00 32.10 C ATOM 920 CG2 ILE A 58 4.789 -9.574 7.760 1.00 33.20 C ATOM 921 CD1 ILE A 58 5.494 -6.701 8.524 1.00 21.51 C ATOM 0 H ILE A 58 8.530 -8.772 6.203 1.00 4.01 H new ATOM 0 HA ILE A 58 7.216 -9.051 8.866 1.00 32.12 H new ATOM 0 HB ILE A 58 6.081 -9.136 6.095 1.00 32.04 H new ATOM 0 HG12 ILE A 58 6.657 -6.835 6.725 1.00 32.10 H new ATOM 0 HG13 ILE A 58 4.939 -7.082 6.486 1.00 32.10 H new ATOM 0 HG21 ILE A 58 3.873 -9.242 7.271 1.00 33.20 H new ATOM 0 HG22 ILE A 58 4.905 -10.649 7.622 1.00 33.20 H new ATOM 0 HG23 ILE A 58 4.734 -9.349 8.825 1.00 33.20 H new ATOM 0 HD11 ILE A 58 5.353 -5.625 8.421 1.00 21.51 H new ATOM 0 HD12 ILE A 58 4.592 -7.146 8.944 1.00 21.51 H new ATOM 0 HD13 ILE A 58 6.337 -6.895 9.187 1.00 21.51 H new ATOM 933 N GLU A 59 7.954 -11.531 8.585 1.00 22.14 N ATOM 934 CA GLU A 59 8.314 -12.951 8.461 1.00 73.43 C ATOM 935 C GLU A 59 9.457 -13.199 7.448 1.00 24.31 C ATOM 936 O GLU A 59 9.617 -14.294 6.905 1.00 11.42 O ATOM 937 CB GLU A 59 7.063 -13.798 8.147 1.00 14.03 C ATOM 938 CG GLU A 59 5.896 -13.589 9.120 1.00 22.24 C ATOM 939 CD GLU A 59 5.023 -14.840 9.258 1.00 4.43 C ATOM 940 OE1 GLU A 59 4.376 -15.233 8.262 1.00 14.11 O ATOM 941 OE2 GLU A 59 5.014 -15.421 10.373 1.00 41.21 O ATOM 0 H GLU A 59 7.998 -11.185 9.543 1.00 22.14 H new ATOM 0 HA GLU A 59 8.709 -13.271 9.425 1.00 73.43 H new ATOM 0 HB2 GLU A 59 6.725 -13.564 7.138 1.00 14.03 H new ATOM 0 HB3 GLU A 59 7.342 -14.852 8.154 1.00 14.03 H new ATOM 0 HG2 GLU A 59 6.287 -13.312 10.099 1.00 22.24 H new ATOM 0 HG3 GLU A 59 5.283 -12.757 8.775 1.00 22.24 H new ATOM 948 N GLY A 60 10.264 -12.173 7.163 1.00 74.52 N ATOM 949 CA GLY A 60 11.360 -12.190 6.199 1.00 33.42 C ATOM 950 C GLY A 60 10.996 -11.545 4.862 1.00 14.50 C ATOM 951 O GLY A 60 11.883 -11.131 4.111 1.00 11.01 O ATOM 0 H GLY A 60 10.163 -11.267 7.621 1.00 74.52 H new ATOM 0 HA2 GLY A 60 12.218 -11.669 6.625 1.00 33.42 H new ATOM 0 HA3 GLY A 60 11.667 -13.221 6.026 1.00 33.42 H new ATOM 955 N VAL A 61 9.707 -11.425 4.557 1.00 51.11 N ATOM 956 CA VAL A 61 9.204 -10.853 3.320 1.00 44.05 C ATOM 957 C VAL A 61 9.367 -9.339 3.380 1.00 20.31 C ATOM 958 O VAL A 61 9.070 -8.719 4.399 1.00 73.11 O ATOM 959 CB VAL A 61 7.737 -11.262 3.122 1.00 51.12 C ATOM 960 CG1 VAL A 61 7.217 -10.833 1.753 1.00 12.32 C ATOM 961 CG2 VAL A 61 7.576 -12.778 3.228 1.00 73.43 C ATOM 0 H VAL A 61 8.965 -11.733 5.185 1.00 51.11 H new ATOM 0 HA VAL A 61 9.767 -11.227 2.465 1.00 44.05 H new ATOM 0 HB VAL A 61 7.166 -10.764 3.906 1.00 51.12 H new ATOM 0 HG11 VAL A 61 6.176 -11.139 1.647 1.00 12.32 H new ATOM 0 HG12 VAL A 61 7.288 -9.749 1.660 1.00 12.32 H new ATOM 0 HG13 VAL A 61 7.815 -11.304 0.973 1.00 12.32 H new ATOM 0 HG21 VAL A 61 6.529 -13.044 3.084 1.00 73.43 H new ATOM 0 HG22 VAL A 61 8.182 -13.263 2.462 1.00 73.43 H new ATOM 0 HG23 VAL A 61 7.903 -13.111 4.213 1.00 73.43 H new ATOM 971 N ARG A 62 9.838 -8.746 2.282 1.00 71.02 N ATOM 972 CA ARG A 62 10.203 -7.335 2.177 1.00 74.10 C ATOM 973 C ARG A 62 8.995 -6.457 2.493 1.00 24.35 C ATOM 974 O ARG A 62 8.929 -5.868 3.567 1.00 65.40 O ATOM 975 CB ARG A 62 10.822 -7.053 0.787 1.00 14.14 C ATOM 976 CG ARG A 62 11.971 -7.991 0.360 1.00 73.01 C ATOM 977 CD ARG A 62 13.368 -7.590 0.831 1.00 63.13 C ATOM 978 NE ARG A 62 13.377 -7.089 2.213 1.00 11.12 N ATOM 979 CZ ARG A 62 14.185 -6.118 2.640 1.00 73.33 C ATOM 980 NH1 ARG A 62 15.313 -5.873 1.980 1.00 0.33 N ATOM 981 NH2 ARG A 62 13.836 -5.393 3.696 1.00 71.21 N ATOM 0 H ARG A 62 9.981 -9.255 1.410 1.00 71.02 H new ATOM 0 HA ARG A 62 10.966 -7.087 2.914 1.00 74.10 H new ATOM 0 HB2 ARG A 62 10.031 -7.114 0.039 1.00 14.14 H new ATOM 0 HB3 ARG A 62 11.192 -6.028 0.776 1.00 14.14 H new ATOM 0 HG2 ARG A 62 11.756 -8.992 0.734 1.00 73.01 H new ATOM 0 HG3 ARG A 62 11.979 -8.052 -0.728 1.00 73.01 H new ATOM 0 HD2 ARG A 62 14.033 -8.450 0.756 1.00 63.13 H new ATOM 0 HD3 ARG A 62 13.764 -6.822 0.167 1.00 63.13 H new ATOM 0 HE ARG A 62 12.730 -7.507 2.882 1.00 11.12 H new ATOM 0 HH11 ARG A 62 15.552 -6.425 1.157 1.00 0.33 H new ATOM 0 HH12 ARG A 62 15.939 -5.133 2.297 1.00 0.33 H new ATOM 0 HH21 ARG A 62 12.955 -5.580 4.175 1.00 71.21 H new ATOM 0 HH22 ARG A 62 14.449 -4.649 4.029 1.00 71.21 H new ATOM 995 N CYS A 63 7.995 -6.451 1.616 1.00 71.33 N ATOM 996 CA CYS A 63 6.797 -5.631 1.758 1.00 54.11 C ATOM 997 C CYS A 63 7.127 -4.126 1.699 1.00 4.42 C ATOM 998 O CYS A 63 8.292 -3.722 1.731 1.00 11.11 O ATOM 999 CB CYS A 63 6.023 -6.006 3.042 1.00 52.40 C ATOM 1000 SG CYS A 63 6.041 -7.792 3.401 1.00 14.23 S ATOM 0 H CYS A 63 7.995 -7.025 0.773 1.00 71.33 H new ATOM 0 HA CYS A 63 6.145 -5.840 0.910 1.00 54.11 H new ATOM 0 HB2 CYS A 63 6.453 -5.469 3.887 1.00 52.40 H new ATOM 0 HB3 CYS A 63 4.990 -5.673 2.945 1.00 52.40 H new ATOM 0 HG CYS A 63 7.168 -8.110 3.966 1.00 14.23 H new ATOM 1006 N LEU A 64 6.094 -3.289 1.599 1.00 21.22 N ATOM 1007 CA LEU A 64 6.201 -1.850 1.379 1.00 0.41 C ATOM 1008 C LEU A 64 5.133 -1.185 2.248 1.00 62.22 C ATOM 1009 O LEU A 64 3.945 -1.374 1.988 1.00 44.33 O ATOM 1010 CB LEU A 64 5.982 -1.549 -0.122 1.00 24.13 C ATOM 1011 CG LEU A 64 6.864 -0.469 -0.778 1.00 53.13 C ATOM 1012 CD1 LEU A 64 6.082 0.190 -1.918 1.00 34.31 C ATOM 1013 CD2 LEU A 64 7.441 0.619 0.127 1.00 51.52 C ATOM 0 H LEU A 64 5.128 -3.607 1.672 1.00 21.22 H new ATOM 0 HA LEU A 64 7.185 -1.466 1.650 1.00 0.41 H new ATOM 0 HB2 LEU A 64 6.126 -2.478 -0.674 1.00 24.13 H new ATOM 0 HB3 LEU A 64 4.941 -1.257 -0.256 1.00 24.13 H new ATOM 0 HG LEU A 64 7.742 -1.018 -1.118 1.00 53.13 H new ATOM 0 HD11 LEU A 64 6.699 0.956 -2.388 1.00 34.31 H new ATOM 0 HD12 LEU A 64 5.813 -0.564 -2.658 1.00 34.31 H new ATOM 0 HD13 LEU A 64 5.176 0.648 -1.521 1.00 34.31 H new ATOM 0 HD21 LEU A 64 8.039 1.308 -0.469 1.00 51.52 H new ATOM 0 HD22 LEU A 64 6.627 1.164 0.605 1.00 51.52 H new ATOM 0 HD23 LEU A 64 8.069 0.161 0.891 1.00 51.52 H new ATOM 1025 N ALA A 65 5.538 -0.502 3.317 1.00 60.11 N ATOM 1026 CA ALA A 65 4.656 0.279 4.180 1.00 21.44 C ATOM 1027 C ALA A 65 4.343 1.596 3.455 1.00 25.52 C ATOM 1028 O ALA A 65 5.295 2.248 3.007 1.00 24.11 O ATOM 1029 CB ALA A 65 5.360 0.559 5.515 1.00 20.30 C ATOM 0 H ALA A 65 6.513 -0.476 3.614 1.00 60.11 H new ATOM 0 HA ALA A 65 3.734 -0.264 4.388 1.00 21.44 H new ATOM 0 HB1 ALA A 65 4.701 1.142 6.159 1.00 20.30 H new ATOM 0 HB2 ALA A 65 5.602 -0.385 6.003 1.00 20.30 H new ATOM 0 HB3 ALA A 65 6.277 1.119 5.332 1.00 20.30 H new ATOM 1035 N VAL A 66 3.067 1.986 3.315 1.00 55.43 N ATOM 1036 CA VAL A 66 2.691 3.185 2.555 1.00 23.50 C ATOM 1037 C VAL A 66 1.869 4.129 3.452 1.00 35.13 C ATOM 1038 O VAL A 66 0.810 3.773 3.957 1.00 70.12 O ATOM 1039 CB VAL A 66 2.066 2.777 1.204 1.00 61.11 C ATOM 1040 CG1 VAL A 66 1.796 4.014 0.333 1.00 72.01 C ATOM 1041 CG2 VAL A 66 3.029 1.819 0.482 1.00 31.13 C ATOM 0 H VAL A 66 2.276 1.485 3.720 1.00 55.43 H new ATOM 0 HA VAL A 66 3.559 3.780 2.269 1.00 23.50 H new ATOM 0 HB VAL A 66 1.113 2.279 1.383 1.00 61.11 H new ATOM 0 HG11 VAL A 66 1.356 3.703 -0.614 1.00 72.01 H new ATOM 0 HG12 VAL A 66 1.107 4.681 0.852 1.00 72.01 H new ATOM 0 HG13 VAL A 66 2.733 4.537 0.143 1.00 72.01 H new ATOM 0 HG21 VAL A 66 2.599 1.523 -0.475 1.00 31.13 H new ATOM 0 HG22 VAL A 66 3.982 2.321 0.312 1.00 31.13 H new ATOM 0 HG23 VAL A 66 3.190 0.933 1.097 1.00 31.13 H new ATOM 1051 N ASP A 67 2.370 5.321 3.744 1.00 34.11 N ATOM 1052 CA ASP A 67 1.690 6.277 4.617 1.00 21.44 C ATOM 1053 C ASP A 67 0.495 6.881 3.882 1.00 11.24 C ATOM 1054 O ASP A 67 0.653 7.383 2.762 1.00 23.30 O ATOM 1055 CB ASP A 67 2.672 7.369 5.023 1.00 54.51 C ATOM 1056 CG ASP A 67 2.129 8.216 6.166 1.00 32.01 C ATOM 1057 OD1 ASP A 67 1.121 8.926 5.969 1.00 44.22 O ATOM 1058 OD2 ASP A 67 2.786 8.164 7.231 1.00 62.23 O ATOM 0 H ASP A 67 3.263 5.657 3.382 1.00 34.11 H new ATOM 0 HA ASP A 67 1.329 5.771 5.513 1.00 21.44 H new ATOM 0 HB2 ASP A 67 3.617 6.916 5.323 1.00 54.51 H new ATOM 0 HB3 ASP A 67 2.882 8.007 4.165 1.00 54.51 H new ATOM 1063 N LEU A 68 -0.708 6.816 4.468 1.00 72.05 N ATOM 1064 CA LEU A 68 -1.915 7.266 3.779 1.00 11.33 C ATOM 1065 C LEU A 68 -1.921 8.769 3.516 1.00 22.13 C ATOM 1066 O LEU A 68 -2.625 9.220 2.613 1.00 63.03 O ATOM 1067 CB LEU A 68 -3.200 6.894 4.542 1.00 74.11 C ATOM 1068 CG LEU A 68 -4.071 5.928 3.745 1.00 12.51 C ATOM 1069 CD1 LEU A 68 -5.308 5.521 4.549 1.00 5.11 C ATOM 1070 CD2 LEU A 68 -4.573 6.522 2.428 1.00 23.40 C ATOM 0 H LEU A 68 -0.866 6.458 5.410 1.00 72.05 H new ATOM 0 HA LEU A 68 -1.900 6.742 2.823 1.00 11.33 H new ATOM 0 HB2 LEU A 68 -2.937 6.442 5.498 1.00 74.11 H new ATOM 0 HB3 LEU A 68 -3.767 7.798 4.762 1.00 74.11 H new ATOM 0 HG LEU A 68 -3.430 5.072 3.533 1.00 12.51 H new ATOM 0 HD11 LEU A 68 -5.914 4.832 3.961 1.00 5.11 H new ATOM 0 HD12 LEU A 68 -4.997 5.033 5.473 1.00 5.11 H new ATOM 0 HD13 LEU A 68 -5.895 6.408 4.787 1.00 5.11 H new ATOM 0 HD21 LEU A 68 -5.186 5.787 1.908 1.00 23.40 H new ATOM 0 HD22 LEU A 68 -5.169 7.411 2.634 1.00 23.40 H new ATOM 0 HD23 LEU A 68 -3.722 6.792 1.803 1.00 23.40 H new ATOM 1082 N LYS A 69 -1.140 9.562 4.257 1.00 42.52 N ATOM 1083 CA LYS A 69 -1.105 11.015 4.085 1.00 0.44 C ATOM 1084 C LYS A 69 -0.660 11.397 2.677 1.00 54.15 C ATOM 1085 O LYS A 69 -1.007 12.477 2.199 1.00 40.40 O ATOM 1086 CB LYS A 69 -0.189 11.630 5.152 1.00 70.41 C ATOM 1087 CG LYS A 69 -0.340 13.161 5.259 1.00 72.40 C ATOM 1088 CD LYS A 69 0.667 13.960 4.407 1.00 32.12 C ATOM 1089 CE LYS A 69 0.033 15.064 3.552 1.00 43.34 C ATOM 1090 NZ LYS A 69 -0.712 16.069 4.334 1.00 70.41 N ATOM 0 H LYS A 69 -0.519 9.216 4.988 1.00 42.52 H new ATOM 0 HA LYS A 69 -2.112 11.413 4.214 1.00 0.44 H new ATOM 0 HB2 LYS A 69 -0.412 11.179 6.119 1.00 70.41 H new ATOM 0 HB3 LYS A 69 0.848 11.387 4.918 1.00 70.41 H new ATOM 0 HG2 LYS A 69 -1.351 13.436 4.959 1.00 72.40 H new ATOM 0 HG3 LYS A 69 -0.227 13.453 6.303 1.00 72.40 H new ATOM 0 HD2 LYS A 69 1.409 14.409 5.068 1.00 32.12 H new ATOM 0 HD3 LYS A 69 1.199 13.270 3.752 1.00 32.12 H new ATOM 0 HE2 LYS A 69 0.817 15.566 2.985 1.00 43.34 H new ATOM 0 HE3 LYS A 69 -0.642 14.607 2.828 1.00 43.34 H new ATOM 0 HZ1 LYS A 69 -1.263 16.671 3.690 1.00 70.41 H new ATOM 0 HZ2 LYS A 69 -1.356 15.588 4.994 1.00 70.41 H new ATOM 0 HZ3 LYS A 69 -0.043 16.658 4.870 1.00 70.41 H new ATOM 1104 N LEU A 70 0.057 10.525 1.965 1.00 23.35 N ATOM 1105 CA LEU A 70 0.368 10.735 0.557 1.00 14.35 C ATOM 1106 C LEU A 70 -0.907 10.981 -0.271 1.00 54.35 C ATOM 1107 O LEU A 70 -0.858 11.746 -1.230 1.00 73.14 O ATOM 1108 CB LEU A 70 1.184 9.538 0.050 1.00 22.41 C ATOM 1109 CG LEU A 70 1.361 9.464 -1.483 1.00 72.44 C ATOM 1110 CD1 LEU A 70 2.224 10.615 -2.017 1.00 70.01 C ATOM 1111 CD2 LEU A 70 2.002 8.129 -1.876 1.00 72.01 C ATOM 0 H LEU A 70 0.435 9.659 2.349 1.00 23.35 H new ATOM 0 HA LEU A 70 0.969 11.637 0.441 1.00 14.35 H new ATOM 0 HB2 LEU A 70 2.171 9.569 0.512 1.00 22.41 H new ATOM 0 HB3 LEU A 70 0.702 8.621 0.389 1.00 22.41 H new ATOM 0 HG LEU A 70 0.369 9.548 -1.927 1.00 72.44 H new ATOM 0 HD11 LEU A 70 2.323 10.524 -3.099 1.00 70.01 H new ATOM 0 HD12 LEU A 70 1.752 11.567 -1.774 1.00 70.01 H new ATOM 0 HD13 LEU A 70 3.212 10.573 -1.558 1.00 70.01 H new ATOM 0 HD21 LEU A 70 2.122 8.088 -2.959 1.00 72.01 H new ATOM 0 HD22 LEU A 70 2.978 8.040 -1.399 1.00 72.01 H new ATOM 0 HD23 LEU A 70 1.363 7.309 -1.550 1.00 72.01 H new ATOM 1123 N LYS A 71 -2.057 10.397 0.087 1.00 23.11 N ATOM 1124 CA LYS A 71 -3.299 10.521 -0.675 1.00 31.24 C ATOM 1125 C LYS A 71 -3.868 11.938 -0.569 1.00 73.34 C ATOM 1126 O LYS A 71 -4.627 12.342 -1.444 1.00 64.03 O ATOM 1127 CB LYS A 71 -4.298 9.460 -0.161 1.00 64.41 C ATOM 1128 CG LYS A 71 -5.603 9.314 -0.964 1.00 1.31 C ATOM 1129 CD LYS A 71 -5.481 8.474 -2.241 1.00 54.40 C ATOM 1130 CE LYS A 71 -6.808 8.493 -3.007 1.00 2.20 C ATOM 1131 NZ LYS A 71 -6.684 8.042 -4.413 1.00 50.54 N ATOM 0 H LYS A 71 -2.149 9.820 0.923 1.00 23.11 H new ATOM 0 HA LYS A 71 -3.105 10.344 -1.733 1.00 31.24 H new ATOM 0 HB2 LYS A 71 -3.794 8.493 -0.146 1.00 64.41 H new ATOM 0 HB3 LYS A 71 -4.555 9.702 0.870 1.00 64.41 H new ATOM 0 HG2 LYS A 71 -6.360 8.865 -0.321 1.00 1.31 H new ATOM 0 HG3 LYS A 71 -5.961 10.308 -1.232 1.00 1.31 H new ATOM 0 HD2 LYS A 71 -4.682 8.867 -2.870 1.00 54.40 H new ATOM 0 HD3 LYS A 71 -5.212 7.449 -1.988 1.00 54.40 H new ATOM 0 HE2 LYS A 71 -7.526 7.855 -2.491 1.00 2.20 H new ATOM 0 HE3 LYS A 71 -7.213 9.505 -2.992 1.00 2.20 H new ATOM 0 HZ1 LYS A 71 -7.462 8.442 -4.976 1.00 50.54 H new ATOM 0 HZ2 LYS A 71 -5.774 8.363 -4.802 1.00 50.54 H new ATOM 0 HZ3 LYS A 71 -6.729 7.004 -4.450 1.00 50.54 H new ATOM 1145 N ASP A 72 -3.524 12.712 0.460 1.00 42.23 N ATOM 1146 CA ASP A 72 -3.868 14.132 0.514 1.00 25.20 C ATOM 1147 C ASP A 72 -3.109 14.865 -0.584 1.00 22.21 C ATOM 1148 O ASP A 72 -3.712 15.497 -1.446 1.00 13.33 O ATOM 1149 CB ASP A 72 -3.521 14.711 1.890 1.00 54.44 C ATOM 1150 CG ASP A 72 -3.439 16.244 1.894 1.00 71.43 C ATOM 1151 OD1 ASP A 72 -4.414 16.933 1.513 1.00 34.25 O ATOM 1152 OD2 ASP A 72 -2.371 16.767 2.297 1.00 54.12 O ATOM 0 H ASP A 72 -3.005 12.377 1.271 1.00 42.23 H new ATOM 0 HA ASP A 72 -4.939 14.257 0.358 1.00 25.20 H new ATOM 0 HB2 ASP A 72 -4.272 14.391 2.612 1.00 54.44 H new ATOM 0 HB3 ASP A 72 -2.567 14.301 2.220 1.00 54.44 H new ATOM 1157 N THR A 73 -1.781 14.775 -0.544 1.00 60.33 N ATOM 1158 CA THR A 73 -0.912 15.647 -1.317 1.00 32.42 C ATOM 1159 C THR A 73 -0.812 15.204 -2.786 1.00 54.01 C ATOM 1160 O THR A 73 -0.621 16.050 -3.662 1.00 5.22 O ATOM 1161 CB THR A 73 0.434 15.722 -0.569 1.00 51.44 C ATOM 1162 OG1 THR A 73 1.196 16.850 -0.937 1.00 70.54 O ATOM 1163 CG2 THR A 73 1.301 14.469 -0.704 1.00 61.21 C ATOM 0 H THR A 73 -1.281 14.094 0.027 1.00 60.33 H new ATOM 0 HA THR A 73 -1.321 16.655 -1.391 1.00 32.42 H new ATOM 0 HB THR A 73 0.140 15.807 0.477 1.00 51.44 H new ATOM 0 HG1 THR A 73 2.038 16.854 -0.436 1.00 70.54 H new ATOM 0 HG21 THR A 73 2.228 14.607 -0.148 1.00 61.21 H new ATOM 0 HG22 THR A 73 0.763 13.609 -0.305 1.00 61.21 H new ATOM 0 HG23 THR A 73 1.531 14.297 -1.756 1.00 61.21 H new ATOM 1171 N ASN A 74 -0.948 13.905 -3.071 1.00 62.22 N ATOM 1172 CA ASN A 74 -0.910 13.310 -4.403 1.00 54.51 C ATOM 1173 C ASN A 74 -1.785 12.047 -4.398 1.00 1.01 C ATOM 1174 O ASN A 74 -1.282 10.927 -4.232 1.00 42.34 O ATOM 1175 CB ASN A 74 0.545 13.027 -4.816 1.00 61.21 C ATOM 1176 CG ASN A 74 0.661 12.158 -6.067 1.00 62.34 C ATOM 1177 OD1 ASN A 74 -0.260 12.037 -6.868 1.00 11.10 O ATOM 1178 ND2 ASN A 74 1.798 11.510 -6.242 1.00 43.14 N ATOM 0 H ASN A 74 -1.095 13.209 -2.340 1.00 62.22 H new ATOM 0 HA ASN A 74 -1.312 13.997 -5.147 1.00 54.51 H new ATOM 0 HB2 ASN A 74 1.056 13.974 -4.991 1.00 61.21 H new ATOM 0 HB3 ASN A 74 1.060 12.535 -3.991 1.00 61.21 H new ATOM 0 HD21 ASN A 74 1.918 10.900 -7.051 1.00 43.14 H new ATOM 0 HD22 ASN A 74 2.556 11.619 -5.568 1.00 43.14 H new ATOM 1185 N PRO A 75 -3.111 12.190 -4.565 1.00 53.11 N ATOM 1186 CA PRO A 75 -4.016 11.054 -4.573 1.00 53.31 C ATOM 1187 C PRO A 75 -3.814 10.115 -5.761 1.00 21.35 C ATOM 1188 O PRO A 75 -4.157 8.933 -5.644 1.00 72.15 O ATOM 1189 CB PRO A 75 -5.435 11.633 -4.562 1.00 61.40 C ATOM 1190 CG PRO A 75 -5.254 13.046 -5.103 1.00 21.25 C ATOM 1191 CD PRO A 75 -3.867 13.431 -4.600 1.00 32.15 C ATOM 0 HA PRO A 75 -3.821 10.431 -3.700 1.00 53.31 H new ATOM 0 HB2 PRO A 75 -6.111 11.049 -5.187 1.00 61.40 H new ATOM 0 HB3 PRO A 75 -5.857 11.640 -3.557 1.00 61.40 H new ATOM 0 HG2 PRO A 75 -5.310 13.072 -6.191 1.00 21.25 H new ATOM 0 HG3 PRO A 75 -6.022 13.723 -4.728 1.00 21.25 H new ATOM 0 HD2 PRO A 75 -3.397 14.159 -5.262 1.00 32.15 H new ATOM 0 HD3 PRO A 75 -3.920 13.887 -3.611 1.00 32.15 H new ATOM 1199 N GLU A 76 -3.277 10.619 -6.875 1.00 31.32 N ATOM 1200 CA GLU A 76 -2.928 9.855 -8.067 1.00 64.11 C ATOM 1201 C GLU A 76 -1.836 8.841 -7.724 1.00 10.11 C ATOM 1202 O GLU A 76 -1.928 7.689 -8.131 1.00 55.21 O ATOM 1203 CB GLU A 76 -2.411 10.827 -9.139 1.00 54.41 C ATOM 1204 CG GLU A 76 -2.374 10.231 -10.546 1.00 3.01 C ATOM 1205 CD GLU A 76 -1.267 10.851 -11.400 1.00 13.30 C ATOM 1206 OE1 GLU A 76 -1.213 12.093 -11.562 1.00 52.13 O ATOM 1207 OE2 GLU A 76 -0.488 10.064 -11.980 1.00 72.42 O ATOM 0 H GLU A 76 -3.066 11.612 -6.971 1.00 31.32 H new ATOM 0 HA GLU A 76 -3.804 9.323 -8.438 1.00 64.11 H new ATOM 0 HB2 GLU A 76 -3.044 11.714 -9.147 1.00 54.41 H new ATOM 0 HB3 GLU A 76 -1.407 11.154 -8.866 1.00 54.41 H new ATOM 0 HG2 GLU A 76 -2.221 9.154 -10.480 1.00 3.01 H new ATOM 0 HG3 GLU A 76 -3.337 10.387 -11.032 1.00 3.01 H new ATOM 1214 N GLY A 77 -0.825 9.245 -6.953 1.00 42.21 N ATOM 1215 CA GLY A 77 0.313 8.414 -6.603 1.00 34.40 C ATOM 1216 C GLY A 77 -0.122 7.227 -5.760 1.00 3.42 C ATOM 1217 O GLY A 77 0.206 6.090 -6.080 1.00 33.12 O ATOM 0 H GLY A 77 -0.780 10.181 -6.549 1.00 42.21 H new ATOM 0 HA2 GLY A 77 0.803 8.061 -7.510 1.00 34.40 H new ATOM 0 HA3 GLY A 77 1.046 9.006 -6.054 1.00 34.40 H new ATOM 1221 N PHE A 78 -0.889 7.467 -4.695 1.00 63.11 N ATOM 1222 CA PHE A 78 -1.392 6.379 -3.860 1.00 74.50 C ATOM 1223 C PHE A 78 -2.286 5.433 -4.688 1.00 4.12 C ATOM 1224 O PHE A 78 -2.197 4.215 -4.562 1.00 11.20 O ATOM 1225 CB PHE A 78 -2.129 6.980 -2.657 1.00 21.23 C ATOM 1226 CG PHE A 78 -2.516 5.974 -1.589 1.00 23.50 C ATOM 1227 CD1 PHE A 78 -3.646 5.153 -1.765 1.00 34.21 C ATOM 1228 CD2 PHE A 78 -1.739 5.845 -0.420 1.00 52.23 C ATOM 1229 CE1 PHE A 78 -3.988 4.203 -0.790 1.00 34.31 C ATOM 1230 CE2 PHE A 78 -2.073 4.880 0.548 1.00 50.32 C ATOM 1231 CZ PHE A 78 -3.197 4.055 0.363 1.00 75.10 C ATOM 0 H PHE A 78 -1.173 8.399 -4.393 1.00 63.11 H new ATOM 0 HA PHE A 78 -0.566 5.775 -3.486 1.00 74.50 H new ATOM 0 HB2 PHE A 78 -1.498 7.745 -2.206 1.00 21.23 H new ATOM 0 HB3 PHE A 78 -3.031 7.479 -3.012 1.00 21.23 H new ATOM 0 HD1 PHE A 78 -4.252 5.254 -2.653 1.00 34.21 H new ATOM 0 HD2 PHE A 78 -0.885 6.488 -0.267 1.00 52.23 H new ATOM 0 HE1 PHE A 78 -4.862 3.583 -0.926 1.00 34.31 H new ATOM 0 HE2 PHE A 78 -1.465 4.773 1.434 1.00 50.32 H new ATOM 0 HZ PHE A 78 -3.451 3.311 1.103 1.00 75.10 H new ATOM 1241 N ASN A 79 -3.125 5.990 -5.567 1.00 12.24 N ATOM 1242 CA ASN A 79 -3.988 5.254 -6.495 1.00 53.31 C ATOM 1243 C ASN A 79 -3.178 4.354 -7.435 1.00 53.24 C ATOM 1244 O ASN A 79 -3.438 3.155 -7.514 1.00 31.44 O ATOM 1245 CB ASN A 79 -4.827 6.282 -7.261 1.00 24.15 C ATOM 1246 CG ASN A 79 -5.521 5.744 -8.498 1.00 20.44 C ATOM 1247 OD1 ASN A 79 -6.671 5.323 -8.436 1.00 22.42 O ATOM 1248 ND2 ASN A 79 -4.864 5.815 -9.639 1.00 34.22 N ATOM 0 H ASN A 79 -3.225 7.001 -5.655 1.00 12.24 H new ATOM 0 HA ASN A 79 -4.643 4.580 -5.943 1.00 53.31 H new ATOM 0 HB2 ASN A 79 -5.581 6.689 -6.587 1.00 24.15 H new ATOM 0 HB3 ASN A 79 -4.182 7.110 -7.555 1.00 24.15 H new ATOM 0 HD21 ASN A 79 -5.312 5.515 -10.505 1.00 34.22 H new ATOM 0 HD22 ASN A 79 -3.908 6.170 -9.656 1.00 34.22 H new ATOM 1255 N GLN A 80 -2.168 4.917 -8.103 1.00 51.21 N ATOM 1256 CA GLN A 80 -1.199 4.180 -8.910 1.00 5.33 C ATOM 1257 C GLN A 80 -0.623 3.011 -8.104 1.00 41.01 C ATOM 1258 O GLN A 80 -0.493 1.896 -8.614 1.00 21.21 O ATOM 1259 CB GLN A 80 -0.032 5.088 -9.339 1.00 32.30 C ATOM 1260 CG GLN A 80 -0.231 5.932 -10.604 1.00 73.23 C ATOM 1261 CD GLN A 80 1.103 6.554 -11.044 1.00 21.23 C ATOM 1262 OE1 GLN A 80 2.149 5.905 -11.027 1.00 45.42 O ATOM 1263 NE2 GLN A 80 1.146 7.825 -11.407 1.00 22.14 N ATOM 0 H GLN A 80 -1.999 5.923 -8.096 1.00 51.21 H new ATOM 0 HA GLN A 80 -1.719 3.813 -9.795 1.00 5.33 H new ATOM 0 HB2 GLN A 80 0.192 5.764 -8.513 1.00 32.30 H new ATOM 0 HB3 GLN A 80 0.848 4.461 -9.486 1.00 32.30 H new ATOM 0 HG2 GLN A 80 -0.632 5.311 -11.405 1.00 73.23 H new ATOM 0 HG3 GLN A 80 -0.962 6.718 -10.414 1.00 73.23 H new ATOM 0 HE21 GLN A 80 0.290 8.379 -11.427 1.00 22.14 H new ATOM 0 HE22 GLN A 80 2.035 8.251 -11.667 1.00 22.14 H new ATOM 1272 N LEU A 81 -0.223 3.266 -6.856 1.00 15.42 N ATOM 1273 CA LEU A 81 0.428 2.281 -6.000 1.00 45.10 C ATOM 1274 C LEU A 81 -0.476 1.090 -5.741 1.00 31.41 C ATOM 1275 O LEU A 81 -0.010 -0.049 -5.714 1.00 5.20 O ATOM 1276 CB LEU A 81 0.805 2.921 -4.658 1.00 12.51 C ATOM 1277 CG LEU A 81 2.101 2.311 -4.098 1.00 2.11 C ATOM 1278 CD1 LEU A 81 3.046 3.396 -3.596 1.00 1.30 C ATOM 1279 CD2 LEU A 81 1.830 1.354 -2.943 1.00 55.24 C ATOM 0 H LEU A 81 -0.345 4.175 -6.409 1.00 15.42 H new ATOM 0 HA LEU A 81 1.324 1.935 -6.516 1.00 45.10 H new ATOM 0 HB2 LEU A 81 0.932 3.996 -4.787 1.00 12.51 H new ATOM 0 HB3 LEU A 81 -0.006 2.779 -3.943 1.00 12.51 H new ATOM 0 HG LEU A 81 2.557 1.763 -4.922 1.00 2.11 H new ATOM 0 HD11 LEU A 81 3.954 2.936 -3.206 1.00 1.30 H new ATOM 0 HD12 LEU A 81 3.302 4.064 -4.418 1.00 1.30 H new ATOM 0 HD13 LEU A 81 2.559 3.965 -2.804 1.00 1.30 H new ATOM 0 HD21 LEU A 81 2.773 0.947 -2.579 1.00 55.24 H new ATOM 0 HD22 LEU A 81 1.330 1.890 -2.136 1.00 55.24 H new ATOM 0 HD23 LEU A 81 1.192 0.540 -3.287 1.00 55.24 H new ATOM 1291 N MET A 82 -1.761 1.372 -5.537 1.00 62.31 N ATOM 1292 CA MET A 82 -2.769 0.347 -5.338 1.00 63.40 C ATOM 1293 C MET A 82 -2.917 -0.519 -6.585 1.00 11.34 C ATOM 1294 O MET A 82 -2.929 -1.744 -6.465 1.00 71.45 O ATOM 1295 CB MET A 82 -4.110 0.964 -4.904 1.00 12.50 C ATOM 1296 CG MET A 82 -4.030 1.410 -3.445 1.00 35.30 C ATOM 1297 SD MET A 82 -3.667 0.033 -2.330 1.00 33.35 S ATOM 1298 CE MET A 82 -3.128 0.989 -0.911 1.00 44.03 C ATOM 0 H MET A 82 -2.128 2.323 -5.506 1.00 62.31 H new ATOM 0 HA MET A 82 -2.439 -0.303 -4.528 1.00 63.40 H new ATOM 0 HB2 MET A 82 -4.351 1.815 -5.541 1.00 12.50 H new ATOM 0 HB3 MET A 82 -4.912 0.236 -5.027 1.00 12.50 H new ATOM 0 HG2 MET A 82 -3.258 2.173 -3.342 1.00 35.30 H new ATOM 0 HG3 MET A 82 -4.974 1.871 -3.155 1.00 35.30 H new ATOM 0 HE1 MET A 82 -2.549 0.352 -0.242 1.00 44.03 H new ATOM 0 HE2 MET A 82 -2.509 1.821 -1.247 1.00 44.03 H new ATOM 0 HE3 MET A 82 -3.998 1.376 -0.381 1.00 44.03 H new ATOM 1308 N HIS A 83 -2.947 0.085 -7.780 1.00 72.10 N ATOM 1309 CA HIS A 83 -3.085 -0.677 -9.018 1.00 33.51 C ATOM 1310 C HIS A 83 -1.981 -1.724 -9.149 1.00 2.44 C ATOM 1311 O HIS A 83 -2.245 -2.859 -9.540 1.00 51.32 O ATOM 1312 CB HIS A 83 -3.078 0.238 -10.250 1.00 1.23 C ATOM 1313 CG HIS A 83 -3.521 -0.462 -11.521 1.00 2.22 C ATOM 1314 ND1 HIS A 83 -3.133 -0.145 -12.804 1.00 54.23 N ATOM 1315 CD2 HIS A 83 -4.357 -1.545 -11.614 1.00 64.32 C ATOM 1316 CE1 HIS A 83 -3.746 -0.991 -13.649 1.00 72.40 C ATOM 1317 NE2 HIS A 83 -4.522 -1.849 -12.968 1.00 2.34 N ATOM 0 H HIS A 83 -2.878 1.094 -7.911 1.00 72.10 H new ATOM 0 HA HIS A 83 -4.049 -1.184 -8.970 1.00 33.51 H new ATOM 0 HB2 HIS A 83 -3.733 1.089 -10.065 1.00 1.23 H new ATOM 0 HB3 HIS A 83 -2.073 0.635 -10.394 1.00 1.23 H new ATOM 0 HD2 HIS A 83 -4.809 -2.071 -10.786 1.00 64.32 H new ATOM 0 HE1 HIS A 83 -3.631 -0.982 -14.723 1.00 72.40 H new ATOM 0 HE2 HIS A 83 -5.115 -2.579 -13.362 1.00 2.34 H new ATOM 1325 N PHE A 84 -0.748 -1.358 -8.789 1.00 21.55 N ATOM 1326 CA PHE A 84 0.384 -2.271 -8.824 1.00 4.12 C ATOM 1327 C PHE A 84 0.118 -3.535 -8.010 1.00 61.21 C ATOM 1328 O PHE A 84 0.488 -4.622 -8.456 1.00 73.51 O ATOM 1329 CB PHE A 84 1.634 -1.566 -8.301 1.00 64.32 C ATOM 1330 CG PHE A 84 2.876 -2.431 -8.335 1.00 12.15 C ATOM 1331 CD1 PHE A 84 3.217 -3.240 -7.234 1.00 21.45 C ATOM 1332 CD2 PHE A 84 3.702 -2.408 -9.468 1.00 41.22 C ATOM 1333 CE1 PHE A 84 4.377 -4.032 -7.275 1.00 55.53 C ATOM 1334 CE2 PHE A 84 4.866 -3.193 -9.507 1.00 2.44 C ATOM 1335 CZ PHE A 84 5.196 -4.017 -8.416 1.00 22.43 C ATOM 0 H PHE A 84 -0.512 -0.420 -8.466 1.00 21.55 H new ATOM 0 HA PHE A 84 0.538 -2.572 -9.860 1.00 4.12 H new ATOM 0 HB2 PHE A 84 1.810 -0.669 -8.894 1.00 64.32 H new ATOM 0 HB3 PHE A 84 1.456 -1.241 -7.276 1.00 64.32 H new ATOM 0 HD1 PHE A 84 2.586 -3.252 -6.357 1.00 21.45 H new ATOM 0 HD2 PHE A 84 3.443 -1.786 -10.312 1.00 41.22 H new ATOM 0 HE1 PHE A 84 4.639 -4.652 -6.430 1.00 55.53 H new ATOM 0 HE2 PHE A 84 5.508 -3.164 -10.375 1.00 2.44 H new ATOM 0 HZ PHE A 84 6.079 -4.638 -8.456 1.00 22.43 H new ATOM 1345 N ALA A 85 -0.496 -3.414 -6.829 1.00 2.40 N ATOM 1346 CA ALA A 85 -0.771 -4.561 -5.979 1.00 13.14 C ATOM 1347 C ALA A 85 -1.831 -5.477 -6.597 1.00 21.51 C ATOM 1348 O ALA A 85 -1.776 -6.685 -6.362 1.00 31.43 O ATOM 1349 CB ALA A 85 -1.201 -4.086 -4.591 1.00 13.24 C ATOM 0 H ALA A 85 -0.811 -2.524 -6.444 1.00 2.40 H new ATOM 0 HA ALA A 85 0.144 -5.146 -5.885 1.00 13.14 H new ATOM 0 HB1 ALA A 85 -1.406 -4.950 -3.958 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -0.403 -3.492 -4.146 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -2.101 -3.478 -4.677 1.00 13.24 H new ATOM 1355 N THR A 86 -2.768 -4.939 -7.380 1.00 11.04 N ATOM 1356 CA THR A 86 -3.726 -5.723 -8.150 1.00 3.40 C ATOM 1357 C THR A 86 -2.977 -6.465 -9.261 1.00 63.55 C ATOM 1358 O THR A 86 -3.051 -7.688 -9.369 1.00 63.43 O ATOM 1359 CB THR A 86 -4.819 -4.804 -8.737 1.00 2.01 C ATOM 1360 OG1 THR A 86 -5.151 -3.756 -7.848 1.00 12.01 O ATOM 1361 CG2 THR A 86 -6.099 -5.583 -9.030 1.00 13.54 C ATOM 0 H THR A 86 -2.881 -3.932 -7.496 1.00 11.04 H new ATOM 0 HA THR A 86 -4.217 -6.450 -7.503 1.00 3.40 H new ATOM 0 HB THR A 86 -4.407 -4.393 -9.659 1.00 2.01 H new ATOM 0 HG1 THR A 86 -5.844 -3.192 -8.251 1.00 12.01 H new ATOM 0 HG21 THR A 86 -6.849 -4.908 -9.442 1.00 13.54 H new ATOM 0 HG22 THR A 86 -5.887 -6.373 -9.750 1.00 13.54 H new ATOM 0 HG23 THR A 86 -6.476 -6.024 -8.107 1.00 13.54 H new ATOM 1369 N GLU A 87 -2.226 -5.737 -10.089 1.00 52.21 N ATOM 1370 CA GLU A 87 -1.549 -6.236 -11.277 1.00 51.31 C ATOM 1371 C GLU A 87 -0.534 -7.318 -10.920 1.00 50.33 C ATOM 1372 O GLU A 87 -0.483 -8.360 -11.575 1.00 2.00 O ATOM 1373 CB GLU A 87 -0.839 -5.036 -11.939 1.00 1.45 C ATOM 1374 CG GLU A 87 -1.769 -4.059 -12.663 1.00 12.22 C ATOM 1375 CD GLU A 87 -2.260 -4.656 -13.969 1.00 50.12 C ATOM 1376 OE1 GLU A 87 -1.550 -4.522 -14.992 1.00 54.23 O ATOM 1377 OE2 GLU A 87 -3.332 -5.308 -13.940 1.00 62.03 O ATOM 0 H GLU A 87 -2.069 -4.740 -9.939 1.00 52.21 H new ATOM 0 HA GLU A 87 -2.272 -6.686 -11.957 1.00 51.31 H new ATOM 0 HB2 GLU A 87 -0.287 -4.491 -11.173 1.00 1.45 H new ATOM 0 HB3 GLU A 87 -0.106 -5.414 -12.652 1.00 1.45 H new ATOM 0 HG2 GLU A 87 -2.619 -3.818 -12.025 1.00 12.22 H new ATOM 0 HG3 GLU A 87 -1.242 -3.125 -12.859 1.00 12.22 H new ATOM 1384 N ASN A 88 0.254 -7.089 -9.869 1.00 2.14 N ATOM 1385 CA ASN A 88 1.298 -8.010 -9.439 1.00 63.55 C ATOM 1386 C ASN A 88 0.743 -9.050 -8.472 1.00 52.30 C ATOM 1387 O ASN A 88 1.491 -9.940 -8.069 1.00 72.22 O ATOM 1388 CB ASN A 88 2.511 -7.256 -8.865 1.00 50.25 C ATOM 1389 CG ASN A 88 3.202 -6.477 -9.976 1.00 74.14 C ATOM 1390 OD1 ASN A 88 4.182 -6.923 -10.565 1.00 73.20 O ATOM 1391 ND2 ASN A 88 2.667 -5.338 -10.363 1.00 72.04 N ATOM 0 H ASN A 88 0.182 -6.252 -9.290 1.00 2.14 H new ATOM 0 HA ASN A 88 1.658 -8.551 -10.314 1.00 63.55 H new ATOM 0 HB2 ASN A 88 2.189 -6.576 -8.076 1.00 50.25 H new ATOM 0 HB3 ASN A 88 3.209 -7.961 -8.413 1.00 50.25 H new ATOM 0 HD21 ASN A 88 3.067 -4.828 -11.151 1.00 72.04 H new ATOM 0 HD22 ASN A 88 1.852 -4.965 -9.875 1.00 72.04 H new ATOM 1398 N GLN A 89 -0.558 -8.966 -8.152 1.00 32.14 N ATOM 1399 CA GLN A 89 -1.296 -9.879 -7.292 1.00 12.12 C ATOM 1400 C GLN A 89 -0.558 -10.167 -5.993 1.00 2.22 C ATOM 1401 O GLN A 89 -0.254 -11.308 -5.637 1.00 71.04 O ATOM 1402 CB GLN A 89 -1.886 -11.082 -8.041 1.00 1.21 C ATOM 1403 CG GLN A 89 -1.238 -11.494 -9.365 1.00 23.40 C ATOM 1404 CD GLN A 89 -2.206 -12.302 -10.220 1.00 63.32 C ATOM 1405 OE1 GLN A 89 -2.144 -13.530 -10.266 1.00 75.22 O ATOM 1406 NE2 GLN A 89 -3.114 -11.623 -10.907 1.00 13.45 N ATOM 0 H GLN A 89 -1.147 -8.215 -8.511 1.00 32.14 H new ATOM 0 HA GLN A 89 -2.198 -9.366 -6.958 1.00 12.12 H new ATOM 0 HB2 GLN A 89 -1.852 -11.941 -7.371 1.00 1.21 H new ATOM 0 HB3 GLN A 89 -2.938 -10.871 -8.236 1.00 1.21 H new ATOM 0 HG2 GLN A 89 -0.921 -10.605 -9.910 1.00 23.40 H new ATOM 0 HG3 GLN A 89 -0.343 -12.084 -9.168 1.00 23.40 H new ATOM 0 HE21 GLN A 89 -3.141 -10.605 -10.849 1.00 13.45 H new ATOM 0 HE22 GLN A 89 -3.785 -12.119 -11.493 1.00 13.45 H new ATOM 1415 N LEU A 90 -0.259 -9.077 -5.294 1.00 3.01 N ATOM 1416 CA LEU A 90 0.379 -9.058 -3.992 1.00 5.33 C ATOM 1417 C LEU A 90 -0.703 -9.009 -2.935 1.00 4.32 C ATOM 1418 O LEU A 90 -1.730 -8.357 -3.136 1.00 12.30 O ATOM 1419 CB LEU A 90 1.312 -7.846 -3.877 1.00 62.24 C ATOM 1420 CG LEU A 90 2.502 -7.931 -4.850 1.00 41.32 C ATOM 1421 CD1 LEU A 90 3.347 -6.655 -4.747 1.00 22.42 C ATOM 1422 CD2 LEU A 90 3.389 -9.146 -4.596 1.00 61.52 C ATOM 0 H LEU A 90 -0.467 -8.141 -5.641 1.00 3.01 H new ATOM 0 HA LEU A 90 0.984 -9.954 -3.854 1.00 5.33 H new ATOM 0 HB2 LEU A 90 0.747 -6.935 -4.076 1.00 62.24 H new ATOM 0 HB3 LEU A 90 1.685 -7.773 -2.855 1.00 62.24 H new ATOM 0 HG LEU A 90 2.086 -8.036 -5.852 1.00 41.32 H new ATOM 0 HD11 LEU A 90 4.188 -6.719 -5.437 1.00 22.42 H new ATOM 0 HD12 LEU A 90 2.734 -5.791 -5.002 1.00 22.42 H new ATOM 0 HD13 LEU A 90 3.721 -6.547 -3.729 1.00 22.42 H new ATOM 0 HD21 LEU A 90 4.211 -9.153 -5.312 1.00 61.52 H new ATOM 0 HD22 LEU A 90 3.790 -9.098 -3.584 1.00 61.52 H new ATOM 0 HD23 LEU A 90 2.801 -10.056 -4.710 1.00 61.52 H new ATOM 1434 N ASN A 91 -0.471 -9.672 -1.803 1.00 74.30 N ATOM 1435 CA ASN A 91 -1.367 -9.496 -0.668 1.00 64.41 C ATOM 1436 C ASN A 91 -1.201 -8.064 -0.176 1.00 41.24 C ATOM 1437 O ASN A 91 -0.111 -7.497 -0.296 1.00 61.21 O ATOM 1438 CB ASN A 91 -1.037 -10.484 0.460 1.00 73.14 C ATOM 1439 CG ASN A 91 -2.225 -10.770 1.371 1.00 32.11 C ATOM 1440 OD1 ASN A 91 -3.318 -10.238 1.204 1.00 74.04 O ATOM 1441 ND2 ASN A 91 -2.031 -11.662 2.321 1.00 22.54 N ATOM 0 H ASN A 91 0.305 -10.316 -1.651 1.00 74.30 H new ATOM 0 HA ASN A 91 -2.396 -9.689 -0.973 1.00 64.41 H new ATOM 0 HB2 ASN A 91 -0.687 -11.420 0.024 1.00 73.14 H new ATOM 0 HB3 ASN A 91 -0.217 -10.084 1.057 1.00 73.14 H new ATOM 0 HD21 ASN A 91 -2.799 -11.925 2.938 1.00 22.54 H new ATOM 0 HD22 ASN A 91 -1.113 -12.090 2.439 1.00 22.54 H new ATOM 1448 N ILE A 92 -2.231 -7.480 0.423 1.00 64.00 N ATOM 1449 CA ILE A 92 -2.121 -6.160 1.020 1.00 1.12 C ATOM 1450 C ILE A 92 -2.548 -6.348 2.457 1.00 13.11 C ATOM 1451 O ILE A 92 -3.645 -6.844 2.717 1.00 61.32 O ATOM 1452 CB ILE A 92 -2.939 -5.087 0.285 1.00 71.32 C ATOM 1453 CG1 ILE A 92 -2.684 -5.093 -1.239 1.00 50.01 C ATOM 1454 CG2 ILE A 92 -2.568 -3.730 0.915 1.00 21.42 C ATOM 1455 CD1 ILE A 92 -3.612 -4.134 -1.990 1.00 61.04 C ATOM 0 H ILE A 92 -3.155 -7.904 0.507 1.00 64.00 H new ATOM 0 HA ILE A 92 -1.103 -5.778 0.949 1.00 1.12 H new ATOM 0 HB ILE A 92 -4.004 -5.289 0.398 1.00 71.32 H new ATOM 0 HG12 ILE A 92 -1.647 -4.817 -1.432 1.00 50.01 H new ATOM 0 HG13 ILE A 92 -2.822 -6.103 -1.624 1.00 50.01 H new ATOM 0 HG21 ILE A 92 -3.127 -2.935 0.422 1.00 21.42 H new ATOM 0 HG22 ILE A 92 -2.814 -3.742 1.977 1.00 21.42 H new ATOM 0 HG23 ILE A 92 -1.500 -3.552 0.792 1.00 21.42 H new ATOM 0 HD11 ILE A 92 -3.392 -4.176 -3.057 1.00 61.04 H new ATOM 0 HD12 ILE A 92 -4.649 -4.424 -1.821 1.00 61.04 H new ATOM 0 HD13 ILE A 92 -3.456 -3.118 -1.627 1.00 61.04 H new ATOM 1467 N LEU A 93 -1.643 -6.032 3.370 1.00 65.22 N ATOM 1468 CA LEU A 93 -1.916 -5.974 4.778 1.00 52.43 C ATOM 1469 C LEU A 93 -2.237 -4.541 5.166 1.00 73.11 C ATOM 1470 O LEU A 93 -1.979 -3.590 4.428 1.00 1.53 O ATOM 1471 CB LEU A 93 -0.696 -6.410 5.586 1.00 40.30 C ATOM 1472 CG LEU A 93 -0.134 -7.791 5.283 1.00 4.13 C ATOM 1473 CD1 LEU A 93 1.019 -8.106 6.236 1.00 22.54 C ATOM 1474 CD2 LEU A 93 -1.145 -8.938 5.194 1.00 53.11 C ATOM 0 H LEU A 93 -0.677 -5.805 3.135 1.00 65.22 H new ATOM 0 HA LEU A 93 -2.754 -6.639 4.989 1.00 52.43 H new ATOM 0 HB2 LEU A 93 0.096 -5.678 5.428 1.00 40.30 H new ATOM 0 HB3 LEU A 93 -0.957 -6.373 6.644 1.00 40.30 H new ATOM 0 HG LEU A 93 0.235 -7.728 4.259 1.00 4.13 H new ATOM 0 HD11 LEU A 93 1.416 -9.096 6.012 1.00 22.54 H new ATOM 0 HD12 LEU A 93 1.807 -7.363 6.112 1.00 22.54 H new ATOM 0 HD13 LEU A 93 0.658 -8.084 7.264 1.00 22.54 H new ATOM 0 HD21 LEU A 93 -0.621 -9.868 4.974 1.00 53.11 H new ATOM 0 HD22 LEU A 93 -1.671 -9.034 6.144 1.00 53.11 H new ATOM 0 HD23 LEU A 93 -1.863 -8.729 4.401 1.00 53.11 H new ATOM 1486 N ASP A 94 -2.697 -4.418 6.395 1.00 71.01 N ATOM 1487 CA ASP A 94 -2.950 -3.169 7.105 1.00 41.44 C ATOM 1488 C ASP A 94 -1.856 -2.905 8.142 1.00 21.42 C ATOM 1489 O ASP A 94 -0.826 -3.588 8.185 1.00 11.51 O ATOM 1490 CB ASP A 94 -4.371 -3.119 7.706 1.00 23.23 C ATOM 1491 CG ASP A 94 -4.625 -3.988 8.937 1.00 23.42 C ATOM 1492 OD1 ASP A 94 -3.662 -4.552 9.501 1.00 23.24 O ATOM 1493 OD2 ASP A 94 -5.802 -4.080 9.350 1.00 51.24 O ATOM 0 H ASP A 94 -2.919 -5.235 6.964 1.00 71.01 H new ATOM 0 HA ASP A 94 -2.910 -2.356 6.380 1.00 41.44 H new ATOM 0 HB2 ASP A 94 -4.594 -2.085 7.968 1.00 23.23 H new ATOM 0 HB3 ASP A 94 -5.079 -3.411 6.931 1.00 23.23 H new ATOM 1498 N ALA A 95 -2.067 -1.871 8.958 1.00 62.31 N ATOM 1499 CA ALA A 95 -1.121 -1.424 9.966 1.00 61.13 C ATOM 1500 C ALA A 95 -0.870 -2.465 11.061 1.00 21.31 C ATOM 1501 O ALA A 95 0.232 -2.488 11.617 1.00 73.23 O ATOM 1502 CB ALA A 95 -1.638 -0.126 10.591 1.00 1.33 C ATOM 0 H ALA A 95 -2.920 -1.313 8.931 1.00 62.31 H new ATOM 0 HA ALA A 95 -0.165 -1.263 9.468 1.00 61.13 H new ATOM 0 HB1 ALA A 95 -0.935 0.218 11.349 1.00 1.33 H new ATOM 0 HB2 ALA A 95 -1.739 0.635 9.818 1.00 1.33 H new ATOM 0 HB3 ALA A 95 -2.609 -0.306 11.052 1.00 1.33 H new ATOM 1508 N GLU A 96 -1.852 -3.303 11.399 1.00 35.24 N ATOM 1509 CA GLU A 96 -1.652 -4.434 12.302 1.00 55.52 C ATOM 1510 C GLU A 96 -0.841 -5.489 11.552 1.00 12.22 C ATOM 1511 O GLU A 96 0.144 -6.021 12.063 1.00 14.05 O ATOM 1512 CB GLU A 96 -2.995 -5.052 12.713 1.00 72.44 C ATOM 1513 CG GLU A 96 -3.895 -4.151 13.560 1.00 4.30 C ATOM 1514 CD GLU A 96 -3.365 -3.987 14.983 1.00 4.50 C ATOM 1515 OE1 GLU A 96 -3.732 -4.801 15.868 1.00 32.31 O ATOM 1516 OE2 GLU A 96 -2.609 -3.014 15.218 1.00 35.14 O ATOM 0 H GLU A 96 -2.808 -3.215 11.053 1.00 35.24 H new ATOM 0 HA GLU A 96 -1.138 -4.093 13.201 1.00 55.52 H new ATOM 0 HB2 GLU A 96 -3.537 -5.335 11.811 1.00 72.44 H new ATOM 0 HB3 GLU A 96 -2.800 -5.969 13.269 1.00 72.44 H new ATOM 0 HG2 GLU A 96 -3.975 -3.172 13.088 1.00 4.30 H new ATOM 0 HG3 GLU A 96 -4.900 -4.571 13.594 1.00 4.30 H new ATOM 1523 N GLY A 97 -1.230 -5.749 10.306 1.00 14.40 N ATOM 1524 CA GLY A 97 -0.767 -6.814 9.436 1.00 72.34 C ATOM 1525 C GLY A 97 -1.916 -7.736 9.019 1.00 74.12 C ATOM 1526 O GLY A 97 -1.654 -8.842 8.547 1.00 23.22 O ATOM 0 H GLY A 97 -1.934 -5.171 9.847 1.00 14.40 H new ATOM 0 HA2 GLY A 97 -0.303 -6.384 8.548 1.00 72.34 H new ATOM 0 HA3 GLY A 97 0.000 -7.395 9.947 1.00 72.34 H new ATOM 1530 N ASN A 98 -3.177 -7.332 9.210 1.00 11.11 N ATOM 1531 CA ASN A 98 -4.345 -8.080 8.750 1.00 72.12 C ATOM 1532 C ASN A 98 -4.417 -7.949 7.232 1.00 4.22 C ATOM 1533 O ASN A 98 -4.269 -6.833 6.735 1.00 3.04 O ATOM 1534 CB ASN A 98 -5.649 -7.490 9.307 1.00 52.51 C ATOM 1535 CG ASN A 98 -5.703 -7.337 10.817 1.00 35.33 C ATOM 1536 OD1 ASN A 98 -5.606 -8.300 11.570 1.00 23.52 O ATOM 1537 ND2 ASN A 98 -5.880 -6.123 11.297 1.00 1.13 N ATOM 0 H ASN A 98 -3.414 -6.466 9.694 1.00 11.11 H new ATOM 0 HA ASN A 98 -4.243 -9.113 9.084 1.00 72.12 H new ATOM 0 HB2 ASN A 98 -5.808 -6.511 8.854 1.00 52.51 H new ATOM 0 HB3 ASN A 98 -6.478 -8.125 8.993 1.00 52.51 H new ATOM 0 HD21 ASN A 98 -5.938 -5.976 12.305 1.00 1.13 H new ATOM 0 HD22 ASN A 98 -5.959 -5.330 10.661 1.00 1.13 H new ATOM 1544 N SER A 99 -4.684 -9.024 6.489 1.00 34.03 N ATOM 1545 CA SER A 99 -4.919 -8.920 5.047 1.00 1.01 C ATOM 1546 C SER A 99 -6.235 -8.173 4.785 1.00 1.45 C ATOM 1547 O SER A 99 -7.247 -8.512 5.404 1.00 73.52 O ATOM 1548 CB SER A 99 -4.887 -10.311 4.401 1.00 63.45 C ATOM 1549 OG SER A 99 -5.573 -11.287 5.176 1.00 62.42 O ATOM 0 H SER A 99 -4.743 -9.973 6.859 1.00 34.03 H new ATOM 0 HA SER A 99 -4.121 -8.340 4.583 1.00 1.01 H new ATOM 0 HB2 SER A 99 -5.336 -10.258 3.409 1.00 63.45 H new ATOM 0 HB3 SER A 99 -3.851 -10.622 4.266 1.00 63.45 H new ATOM 0 HG SER A 99 -5.527 -12.155 4.724 1.00 62.42 H new ATOM 1555 N ILE A 100 -6.234 -7.178 3.894 1.00 22.44 N ATOM 1556 CA ILE A 100 -7.370 -6.305 3.595 1.00 63.43 C ATOM 1557 C ILE A 100 -7.507 -6.074 2.086 1.00 62.14 C ATOM 1558 O ILE A 100 -6.524 -6.121 1.333 1.00 64.14 O ATOM 1559 CB ILE A 100 -7.237 -4.949 4.329 1.00 51.23 C ATOM 1560 CG1 ILE A 100 -5.819 -4.343 4.232 1.00 12.35 C ATOM 1561 CG2 ILE A 100 -7.666 -5.060 5.799 1.00 44.51 C ATOM 1562 CD1 ILE A 100 -5.835 -2.813 4.308 1.00 0.32 C ATOM 0 H ILE A 100 -5.409 -6.950 3.340 1.00 22.44 H new ATOM 0 HA ILE A 100 -8.270 -6.806 3.951 1.00 63.43 H new ATOM 0 HB ILE A 100 -7.914 -4.267 3.814 1.00 51.23 H new ATOM 0 HG12 ILE A 100 -5.201 -4.738 5.038 1.00 12.35 H new ATOM 0 HG13 ILE A 100 -5.357 -4.653 3.295 1.00 12.35 H new ATOM 0 HG21 ILE A 100 -7.560 -4.089 6.283 1.00 44.51 H new ATOM 0 HG22 ILE A 100 -8.707 -5.379 5.851 1.00 44.51 H new ATOM 0 HG23 ILE A 100 -7.037 -5.790 6.308 1.00 44.51 H new ATOM 0 HD11 ILE A 100 -4.815 -2.434 4.235 1.00 0.32 H new ATOM 0 HD12 ILE A 100 -6.430 -2.414 3.486 1.00 0.32 H new ATOM 0 HD13 ILE A 100 -6.271 -2.500 5.257 1.00 0.32 H new ATOM 1574 N ASP A 101 -8.720 -5.734 1.642 1.00 24.40 N ATOM 1575 CA ASP A 101 -8.961 -5.231 0.291 1.00 13.22 C ATOM 1576 C ASP A 101 -8.504 -3.779 0.217 1.00 65.40 C ATOM 1577 O ASP A 101 -8.479 -3.062 1.219 1.00 52.43 O ATOM 1578 CB ASP A 101 -10.438 -5.276 -0.115 1.00 62.41 C ATOM 1579 CG ASP A 101 -10.894 -6.630 -0.669 1.00 15.05 C ATOM 1580 OD1 ASP A 101 -10.312 -7.092 -1.682 1.00 64.31 O ATOM 1581 OD2 ASP A 101 -11.859 -7.193 -0.094 1.00 72.15 O ATOM 0 H ASP A 101 -9.563 -5.801 2.212 1.00 24.40 H new ATOM 0 HA ASP A 101 -8.405 -5.876 -0.389 1.00 13.22 H new ATOM 0 HB2 ASP A 101 -11.050 -5.026 0.752 1.00 62.41 H new ATOM 0 HB3 ASP A 101 -10.621 -4.508 -0.867 1.00 62.41 H new ATOM 1586 N ALA A 102 -8.160 -3.324 -0.984 1.00 21.21 N ATOM 1587 CA ALA A 102 -7.755 -1.932 -1.220 1.00 71.54 C ATOM 1588 C ALA A 102 -8.979 -1.021 -1.303 1.00 15.42 C ATOM 1589 O ALA A 102 -8.882 0.181 -1.049 1.00 61.51 O ATOM 1590 CB ALA A 102 -6.930 -1.818 -2.499 1.00 43.45 C ATOM 0 H ALA A 102 -8.152 -3.904 -1.823 1.00 21.21 H new ATOM 0 HA ALA A 102 -7.139 -1.614 -0.379 1.00 71.54 H new ATOM 0 HB1 ALA A 102 -6.641 -0.779 -2.654 1.00 43.45 H new ATOM 0 HB2 ALA A 102 -6.035 -2.434 -2.411 1.00 43.45 H new ATOM 0 HB3 ALA A 102 -7.524 -2.160 -3.347 1.00 43.45 H new ATOM 1596 N ALA A 103 -10.146 -1.601 -1.605 1.00 3.45 N ATOM 1597 CA ALA A 103 -11.436 -0.930 -1.600 1.00 3.01 C ATOM 1598 C ALA A 103 -11.752 -0.291 -0.245 1.00 4.23 C ATOM 1599 O ALA A 103 -12.537 0.655 -0.196 1.00 21.43 O ATOM 1600 CB ALA A 103 -12.517 -1.954 -1.947 1.00 74.42 C ATOM 0 H ALA A 103 -10.213 -2.584 -1.868 1.00 3.45 H new ATOM 0 HA ALA A 103 -11.406 -0.127 -2.336 1.00 3.01 H new ATOM 0 HB1 ALA A 103 -13.492 -1.467 -1.948 1.00 74.42 H new ATOM 0 HB2 ALA A 103 -12.319 -2.372 -2.934 1.00 74.42 H new ATOM 0 HB3 ALA A 103 -12.511 -2.754 -1.207 1.00 74.42 H new ATOM 1606 N GLN A 104 -11.132 -0.776 0.834 1.00 64.24 N ATOM 1607 CA GLN A 104 -11.308 -0.288 2.193 1.00 25.11 C ATOM 1608 C GLN A 104 -10.287 0.806 2.550 1.00 44.12 C ATOM 1609 O GLN A 104 -10.249 1.241 3.701 1.00 22.50 O ATOM 1610 CB GLN A 104 -11.229 -1.495 3.148 1.00 4.32 C ATOM 1611 CG GLN A 104 -12.323 -2.534 2.840 1.00 42.54 C ATOM 1612 CD GLN A 104 -13.064 -2.985 4.089 1.00 54.22 C ATOM 1613 OE1 GLN A 104 -14.189 -2.567 4.343 1.00 2.21 O ATOM 1614 NE2 GLN A 104 -12.442 -3.832 4.879 1.00 72.45 N ATOM 0 H GLN A 104 -10.469 -1.549 0.776 1.00 64.24 H new ATOM 0 HA GLN A 104 -12.284 0.188 2.289 1.00 25.11 H new ATOM 0 HB2 GLN A 104 -10.248 -1.963 3.064 1.00 4.32 H new ATOM 0 HB3 GLN A 104 -11.331 -1.152 4.178 1.00 4.32 H new ATOM 0 HG2 GLN A 104 -13.035 -2.109 2.132 1.00 42.54 H new ATOM 0 HG3 GLN A 104 -11.871 -3.400 2.356 1.00 42.54 H new ATOM 0 HE21 GLN A 104 -11.507 -4.161 4.639 1.00 72.45 H new ATOM 0 HE22 GLN A 104 -12.895 -4.161 5.732 1.00 72.45 H new ATOM 1623 N VAL A 105 -9.456 1.256 1.598 1.00 62.14 N ATOM 1624 CA VAL A 105 -8.335 2.170 1.831 1.00 64.34 C ATOM 1625 C VAL A 105 -8.414 3.389 0.912 1.00 75.14 C ATOM 1626 O VAL A 105 -8.053 4.500 1.304 1.00 64.12 O ATOM 1627 CB VAL A 105 -7.004 1.416 1.645 1.00 62.15 C ATOM 1628 CG1 VAL A 105 -5.800 2.313 1.948 1.00 52.21 C ATOM 1629 CG2 VAL A 105 -6.925 0.193 2.556 1.00 21.41 C ATOM 0 H VAL A 105 -9.550 0.985 0.619 1.00 62.14 H new ATOM 0 HA VAL A 105 -8.390 2.537 2.856 1.00 64.34 H new ATOM 0 HB VAL A 105 -6.974 1.103 0.601 1.00 62.15 H new ATOM 0 HG11 VAL A 105 -4.880 1.747 1.806 1.00 52.21 H new ATOM 0 HG12 VAL A 105 -5.806 3.170 1.275 1.00 52.21 H new ATOM 0 HG13 VAL A 105 -5.856 2.661 2.979 1.00 52.21 H new ATOM 0 HG21 VAL A 105 -5.974 -0.316 2.400 1.00 21.41 H new ATOM 0 HG22 VAL A 105 -7.001 0.509 3.596 1.00 21.41 H new ATOM 0 HG23 VAL A 105 -7.744 -0.488 2.323 1.00 21.41 H new ATOM 1639 N THR A 106 -8.900 3.236 -0.316 1.00 0.21 N ATOM 1640 CA THR A 106 -9.053 4.348 -1.251 1.00 31.22 C ATOM 1641 C THR A 106 -10.296 5.212 -0.949 1.00 31.11 C ATOM 1642 O THR A 106 -10.626 6.098 -1.737 1.00 71.34 O ATOM 1643 CB THR A 106 -8.908 3.827 -2.693 1.00 71.20 C ATOM 1644 OG1 THR A 106 -9.484 2.542 -2.848 1.00 41.01 O ATOM 1645 CG2 THR A 106 -7.417 3.707 -3.066 1.00 74.20 C ATOM 0 H THR A 106 -9.200 2.337 -0.692 1.00 0.21 H new ATOM 0 HA THR A 106 -8.245 5.067 -1.117 1.00 31.22 H new ATOM 0 HB THR A 106 -9.422 4.540 -3.338 1.00 71.20 H new ATOM 0 HG1 THR A 106 -9.375 2.244 -3.775 1.00 41.01 H new ATOM 0 HG21 THR A 106 -7.326 3.338 -4.088 1.00 74.20 H new ATOM 0 HG22 THR A 106 -6.943 4.686 -2.990 1.00 74.20 H new ATOM 0 HG23 THR A 106 -6.926 3.013 -2.384 1.00 74.20 H new