USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 755 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 29 TYR OH : rot 80:sc= 0.391 USER MOD Set 1.2: A 97 THR OG1 : rot -124:sc= 0.389 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -0.0757 (180deg=-0.397) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-6.2!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.957 USER MOD Single : A 47 ASN : amide:sc= -0.0565 K(o=-0.056,f=-0.8) USER MOD Single : A 53 THR OG1 : rot 93:sc= 0.211 USER MOD Single : A 54 SER OG : rot 160:sc= -0.647 USER MOD Single : A 57 CYS SG : rot -170:sc= -0.676 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 67 SER OG : rot 92:sc= 0.408 USER MOD Single : A 69 GLN : amide:sc=-0.000558 K(o=-0.00056,f=-0.64) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 89:sc= 0.0203 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.89 USER MOD Single : A 80 ASN : amide:sc= -2.87! C(o=-2.9!,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 76:sc= 0.655 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 152:sc= 0.209 USER MOD Single : A 89 HIS : no HD1:sc= -2.66! C(o=-2.7!,f=-7.4!) USER MOD Single : A 90 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.8) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.674 -4.729 2.394 1.00 21.40 N ATOM 139 CA LEU A 13 -5.732 -4.777 3.507 1.00 41.51 C ATOM 140 C LEU A 13 -5.237 -6.200 3.742 1.00 45.05 C ATOM 141 O LEU A 13 -4.042 -6.429 3.926 1.00 75.53 O ATOM 142 CB LEU A 13 -6.389 -4.236 4.779 1.00 73.44 C ATOM 143 CG LEU A 13 -5.436 -3.783 5.886 1.00 1.12 C ATOM 144 CD1 LEU A 13 -4.508 -2.691 5.376 1.00 41.42 C ATOM 145 CD2 LEU A 13 -6.218 -3.297 7.098 1.00 61.51 C ATOM 0 HA LEU A 13 -4.875 -4.153 3.253 1.00 41.51 H new ATOM 0 HB2 LEU A 13 -7.024 -3.393 4.506 1.00 73.44 H new ATOM 0 HB3 LEU A 13 -7.043 -5.009 5.183 1.00 73.44 H new ATOM 0 HG LEU A 13 -4.829 -4.636 6.189 1.00 1.12 H new ATOM 0 HD11 LEU A 13 -3.837 -2.381 6.177 1.00 41.42 H new ATOM 0 HD12 LEU A 13 -3.923 -3.072 4.539 1.00 41.42 H new ATOM 0 HD13 LEU A 13 -5.099 -1.836 5.046 1.00 41.42 H new ATOM 0 HD21 LEU A 13 -5.523 -2.979 7.875 1.00 61.51 H new ATOM 0 HD22 LEU A 13 -6.850 -2.457 6.810 1.00 61.51 H new ATOM 0 HD23 LEU A 13 -6.841 -4.107 7.478 1.00 61.51 H new ATOM 157 N ASP A 14 -6.163 -7.151 3.732 1.00 24.52 N ATOM 158 CA ASP A 14 -5.821 -8.554 3.941 1.00 21.14 C ATOM 159 C ASP A 14 -4.906 -9.061 2.830 1.00 1.04 C ATOM 160 O ASP A 14 -3.946 -9.789 3.085 1.00 23.24 O ATOM 161 CB ASP A 14 -7.089 -9.407 4.002 1.00 64.44 C ATOM 162 CG ASP A 14 -7.053 -10.418 5.131 1.00 74.25 C ATOM 163 OD1 ASP A 14 -6.589 -10.059 6.235 1.00 22.32 O ATOM 164 OD2 ASP A 14 -7.487 -11.568 4.912 1.00 53.43 O ATOM 0 H ASP A 14 -7.157 -6.977 3.581 1.00 24.52 H new ATOM 0 HA ASP A 14 -5.291 -8.636 4.890 1.00 21.14 H new ATOM 0 HB2 ASP A 14 -7.955 -8.757 4.128 1.00 64.44 H new ATOM 0 HB3 ASP A 14 -7.218 -9.930 3.054 1.00 64.44 H new ATOM 169 N LYS A 15 -5.210 -8.672 1.596 1.00 2.01 N ATOM 170 CA LYS A 15 -4.416 -9.087 0.445 1.00 2.21 C ATOM 171 C LYS A 15 -3.036 -8.438 0.476 1.00 15.24 C ATOM 172 O LYS A 15 -2.054 -9.028 0.025 1.00 20.02 O ATOM 173 CB LYS A 15 -5.136 -8.719 -0.855 1.00 71.13 C ATOM 174 CG LYS A 15 -5.823 -9.898 -1.523 1.00 41.31 C ATOM 175 CD LYS A 15 -7.324 -9.877 -1.282 1.00 31.22 C ATOM 176 CE LYS A 15 -7.950 -11.238 -1.547 1.00 53.10 C ATOM 177 NZ LYS A 15 -9.129 -11.485 -0.671 1.00 34.21 N ATOM 0 H LYS A 15 -6.001 -8.070 1.367 1.00 2.01 H new ATOM 0 HA LYS A 15 -4.291 -10.169 0.490 1.00 2.21 H new ATOM 0 HB2 LYS A 15 -5.878 -7.948 -0.644 1.00 71.13 H new ATOM 0 HB3 LYS A 15 -4.416 -8.287 -1.550 1.00 71.13 H new ATOM 0 HG2 LYS A 15 -5.625 -9.877 -2.595 1.00 41.31 H new ATOM 0 HG3 LYS A 15 -5.405 -10.829 -1.140 1.00 41.31 H new ATOM 0 HD2 LYS A 15 -7.524 -9.577 -0.253 1.00 31.22 H new ATOM 0 HD3 LYS A 15 -7.787 -9.130 -1.927 1.00 31.22 H new ATOM 0 HE2 LYS A 15 -8.254 -11.301 -2.592 1.00 53.10 H new ATOM 0 HE3 LYS A 15 -7.206 -12.018 -1.384 1.00 53.10 H new ATOM 0 HZ1 LYS A 15 -9.528 -12.422 -0.882 1.00 34.21 H new ATOM 0 HZ2 LYS A 15 -8.834 -11.450 0.326 1.00 34.21 H new ATOM 0 HZ3 LYS A 15 -9.849 -10.755 -0.845 1.00 34.21 H new ATOM 191 N TRP A 16 -2.969 -7.224 1.009 1.00 65.13 N ATOM 192 CA TRP A 16 -1.708 -6.497 1.099 1.00 74.34 C ATOM 193 C TRP A 16 -0.715 -7.237 1.989 1.00 21.42 C ATOM 194 O TRP A 16 0.425 -7.478 1.594 1.00 34.33 O ATOM 195 CB TRP A 16 -1.945 -5.088 1.643 1.00 45.43 C ATOM 196 CG TRP A 16 -0.679 -4.334 1.914 1.00 14.43 C ATOM 197 CD1 TRP A 16 -0.143 -4.043 3.135 1.00 44.23 C ATOM 198 CD2 TRP A 16 0.209 -3.774 0.940 1.00 53.12 C ATOM 199 NE1 TRP A 16 1.025 -3.336 2.981 1.00 52.11 N ATOM 200 CE2 TRP A 16 1.264 -3.158 1.644 1.00 24.41 C ATOM 201 CE3 TRP A 16 0.218 -3.734 -0.457 1.00 12.40 C ATOM 202 CZ2 TRP A 16 2.312 -2.511 0.996 1.00 20.45 C ATOM 203 CZ3 TRP A 16 1.260 -3.091 -1.099 1.00 65.25 C ATOM 204 CH2 TRP A 16 2.296 -2.487 -0.373 1.00 61.33 C ATOM 0 H TRP A 16 -3.773 -6.722 1.386 1.00 65.13 H new ATOM 0 HA TRP A 16 -1.287 -6.426 0.096 1.00 74.34 H new ATOM 0 HB2 TRP A 16 -2.547 -4.527 0.928 1.00 45.43 H new ATOM 0 HB3 TRP A 16 -2.524 -5.155 2.564 1.00 45.43 H new ATOM 0 HD1 TRP A 16 -0.574 -4.327 4.084 1.00 44.23 H new ATOM 0 HE1 TRP A 16 1.618 -2.998 3.739 1.00 52.11 H new ATOM 0 HE3 TRP A 16 -0.575 -4.197 -1.025 1.00 12.40 H new ATOM 0 HZ2 TRP A 16 3.110 -2.044 1.554 1.00 20.45 H new ATOM 0 HZ3 TRP A 16 1.276 -3.053 -2.178 1.00 65.25 H new ATOM 0 HH2 TRP A 16 3.097 -1.993 -0.904 1.00 61.33 H new ATOM 215 N GLU A 17 -1.157 -7.597 3.191 1.00 13.41 N ATOM 216 CA GLU A 17 -0.304 -8.309 4.135 1.00 1.23 C ATOM 217 C GLU A 17 -0.125 -9.765 3.715 1.00 63.42 C ATOM 218 O GLU A 17 0.776 -10.455 4.192 1.00 54.53 O ATOM 219 CB GLU A 17 -0.899 -8.244 5.543 1.00 3.42 C ATOM 220 CG GLU A 17 -0.825 -6.862 6.172 1.00 30.24 C ATOM 221 CD GLU A 17 -0.951 -6.900 7.682 1.00 71.32 C ATOM 222 OE1 GLU A 17 -0.640 -7.954 8.276 1.00 10.14 O ATOM 223 OE2 GLU A 17 -1.359 -5.877 8.270 1.00 73.44 O ATOM 0 H GLU A 17 -2.099 -7.407 3.533 1.00 13.41 H new ATOM 0 HA GLU A 17 0.673 -7.826 4.138 1.00 1.23 H new ATOM 0 HB2 GLU A 17 -1.941 -8.560 5.503 1.00 3.42 H new ATOM 0 HB3 GLU A 17 -0.375 -8.954 6.183 1.00 3.42 H new ATOM 0 HG2 GLU A 17 0.122 -6.394 5.902 1.00 30.24 H new ATOM 0 HG3 GLU A 17 -1.618 -6.237 5.761 1.00 30.24 H new ATOM 230 N LYS A 18 -0.990 -10.226 2.818 1.00 64.51 N ATOM 231 CA LYS A 18 -0.928 -11.600 2.331 1.00 44.14 C ATOM 232 C LYS A 18 0.378 -11.855 1.588 1.00 75.43 C ATOM 233 O LYS A 18 1.237 -12.601 2.062 1.00 42.13 O ATOM 234 CB LYS A 18 -2.116 -11.890 1.410 1.00 4.55 C ATOM 235 CG LYS A 18 -2.274 -13.361 1.065 1.00 12.53 C ATOM 236 CD LYS A 18 -1.428 -13.744 -0.138 1.00 75.14 C ATOM 237 CE LYS A 18 -2.077 -14.860 -0.942 1.00 52.31 C ATOM 238 NZ LYS A 18 -1.771 -16.202 -0.376 1.00 34.22 N ATOM 0 H LYS A 18 -1.742 -9.669 2.413 1.00 64.51 H new ATOM 0 HA LYS A 18 -0.972 -12.267 3.192 1.00 44.14 H new ATOM 0 HB2 LYS A 18 -3.030 -11.537 1.888 1.00 4.55 H new ATOM 0 HB3 LYS A 18 -1.998 -11.320 0.488 1.00 4.55 H new ATOM 0 HG2 LYS A 18 -1.987 -13.970 1.922 1.00 12.53 H new ATOM 0 HG3 LYS A 18 -3.322 -13.577 0.858 1.00 12.53 H new ATOM 0 HD2 LYS A 18 -1.283 -12.872 -0.775 1.00 75.14 H new ATOM 0 HD3 LYS A 18 -0.440 -14.062 0.196 1.00 75.14 H new ATOM 0 HE2 LYS A 18 -3.157 -14.712 -0.962 1.00 52.31 H new ATOM 0 HE3 LYS A 18 -1.729 -14.813 -1.974 1.00 52.31 H new ATOM 0 HZ1 LYS A 18 -2.231 -16.935 -0.952 1.00 34.22 H new ATOM 0 HZ2 LYS A 18 -0.742 -16.354 -0.380 1.00 34.22 H new ATOM 0 HZ3 LYS A 18 -2.125 -16.256 0.600 1.00 34.22 H new ATOM 252 N ILE A 19 0.524 -11.233 0.424 1.00 20.04 N ATOM 253 CA ILE A 19 1.727 -11.392 -0.383 1.00 11.41 C ATOM 254 C ILE A 19 2.979 -11.364 0.487 1.00 40.34 C ATOM 255 O ILE A 19 3.017 -10.689 1.517 1.00 21.23 O ATOM 256 CB ILE A 19 1.837 -10.292 -1.455 1.00 42.32 C ATOM 257 CG1 ILE A 19 0.579 -10.273 -2.327 1.00 11.22 C ATOM 258 CG2 ILE A 19 3.077 -10.506 -2.310 1.00 40.30 C ATOM 259 CD1 ILE A 19 -0.153 -8.949 -2.302 1.00 72.13 C ATOM 0 H ILE A 19 -0.177 -10.613 0.018 1.00 20.04 H new ATOM 0 HA ILE A 19 1.650 -12.361 -0.876 1.00 11.41 H new ATOM 0 HB ILE A 19 1.927 -9.327 -0.956 1.00 42.32 H new ATOM 0 HG12 ILE A 19 0.856 -10.507 -3.355 1.00 11.22 H new ATOM 0 HG13 ILE A 19 -0.097 -11.059 -1.992 1.00 11.22 H new ATOM 0 HG21 ILE A 19 3.140 -9.720 -3.063 1.00 40.30 H new ATOM 0 HG22 ILE A 19 3.965 -10.475 -1.678 1.00 40.30 H new ATOM 0 HG23 ILE A 19 3.016 -11.476 -2.803 1.00 40.30 H new ATOM 0 HD11 ILE A 19 -1.034 -9.008 -2.942 1.00 72.13 H new ATOM 0 HD12 ILE A 19 -0.461 -8.723 -1.281 1.00 72.13 H new ATOM 0 HD13 ILE A 19 0.507 -8.161 -2.665 1.00 72.13 H new ATOM 271 N ARG A 20 4.003 -12.098 0.066 1.00 63.22 N ATOM 272 CA ARG A 20 5.258 -12.158 0.807 1.00 21.02 C ATOM 273 C ARG A 20 6.149 -10.968 0.463 1.00 4.25 C ATOM 274 O ARG A 20 5.729 -10.046 -0.239 1.00 21.02 O ATOM 275 CB ARG A 20 5.994 -13.464 0.502 1.00 43.43 C ATOM 276 CG ARG A 20 5.150 -14.707 0.735 1.00 3.31 C ATOM 277 CD ARG A 20 6.007 -15.893 1.149 1.00 53.44 C ATOM 278 NE ARG A 20 6.078 -16.909 0.103 1.00 51.33 N ATOM 279 CZ ARG A 20 5.054 -17.683 -0.240 1.00 54.23 C ATOM 280 NH1 ARG A 20 3.888 -17.557 0.376 1.00 63.43 N ATOM 281 NH2 ARG A 20 5.198 -18.586 -1.202 1.00 41.40 N ATOM 0 H ARG A 20 3.989 -12.660 -0.785 1.00 63.22 H new ATOM 0 HA ARG A 20 5.025 -12.121 1.871 1.00 21.02 H new ATOM 0 HB2 ARG A 20 6.326 -13.450 -0.536 1.00 43.43 H new ATOM 0 HB3 ARG A 20 6.888 -13.521 1.122 1.00 43.43 H new ATOM 0 HG2 ARG A 20 4.409 -14.505 1.508 1.00 3.31 H new ATOM 0 HG3 ARG A 20 4.603 -14.952 -0.175 1.00 3.31 H new ATOM 0 HD2 ARG A 20 7.013 -15.548 1.387 1.00 53.44 H new ATOM 0 HD3 ARG A 20 5.598 -16.336 2.057 1.00 53.44 H new ATOM 0 HE ARG A 20 6.962 -17.031 -0.391 1.00 51.33 H new ATOM 0 HH11 ARG A 20 3.774 -16.864 1.116 1.00 63.43 H new ATOM 0 HH12 ARG A 20 3.104 -18.153 0.110 1.00 63.43 H new ATOM 0 HH21 ARG A 20 6.095 -18.686 -1.678 1.00 41.40 H new ATOM 0 HH22 ARG A 20 4.412 -19.180 -1.465 1.00 41.40 H new ATOM 295 N LEU A 21 7.379 -10.992 0.961 1.00 63.33 N ATOM 296 CA LEU A 21 8.330 -9.916 0.708 1.00 61.11 C ATOM 297 C LEU A 21 9.368 -10.338 -0.328 1.00 44.41 C ATOM 298 O LEU A 21 9.642 -9.607 -1.280 1.00 63.31 O ATOM 299 CB LEU A 21 9.026 -9.507 2.007 1.00 12.14 C ATOM 300 CG LEU A 21 8.116 -9.002 3.127 1.00 32.24 C ATOM 301 CD1 LEU A 21 8.924 -8.711 4.382 1.00 34.53 C ATOM 302 CD2 LEU A 21 7.357 -7.762 2.679 1.00 44.22 C ATOM 0 H LEU A 21 7.742 -11.746 1.544 1.00 63.33 H new ATOM 0 HA LEU A 21 7.778 -9.062 0.315 1.00 61.11 H new ATOM 0 HB2 LEU A 21 9.587 -10.364 2.380 1.00 12.14 H new ATOM 0 HB3 LEU A 21 9.752 -8.727 1.777 1.00 12.14 H new ATOM 0 HG LEU A 21 7.392 -9.782 3.360 1.00 32.24 H new ATOM 0 HD11 LEU A 21 8.259 -8.353 5.168 1.00 34.53 H new ATOM 0 HD12 LEU A 21 9.421 -9.623 4.715 1.00 34.53 H new ATOM 0 HD13 LEU A 21 9.672 -7.949 4.164 1.00 34.53 H new ATOM 0 HD21 LEU A 21 6.714 -7.416 3.489 1.00 44.22 H new ATOM 0 HD22 LEU A 21 8.066 -6.976 2.418 1.00 44.22 H new ATOM 0 HD23 LEU A 21 6.746 -8.004 1.809 1.00 44.22 H new ATOM 314 N ARG A 22 9.939 -11.523 -0.136 1.00 4.42 N ATOM 315 CA ARG A 22 10.946 -12.042 -1.054 1.00 23.34 C ATOM 316 C ARG A 22 10.666 -13.503 -1.397 1.00 64.20 C ATOM 317 O ARG A 22 10.013 -14.228 -0.645 1.00 23.43 O ATOM 318 CB ARG A 22 12.341 -11.908 -0.443 1.00 73.23 C ATOM 319 CG ARG A 22 12.405 -12.309 1.022 1.00 74.21 C ATOM 320 CD ARG A 22 13.843 -12.449 1.498 1.00 62.22 C ATOM 321 NE ARG A 22 14.419 -13.740 1.129 1.00 13.03 N ATOM 322 CZ ARG A 22 15.694 -14.058 1.324 1.00 63.20 C ATOM 323 NH1 ARG A 22 16.521 -13.185 1.882 1.00 60.45 N ATOM 324 NH2 ARG A 22 16.144 -15.253 0.960 1.00 42.25 N ATOM 0 H ARG A 22 9.722 -12.141 0.646 1.00 4.42 H new ATOM 0 HA ARG A 22 10.902 -11.456 -1.972 1.00 23.34 H new ATOM 0 HB2 ARG A 22 13.038 -12.525 -1.011 1.00 73.23 H new ATOM 0 HB3 ARG A 22 12.675 -10.875 -0.543 1.00 73.23 H new ATOM 0 HG2 ARG A 22 11.891 -11.563 1.628 1.00 74.21 H new ATOM 0 HG3 ARG A 22 11.879 -13.253 1.165 1.00 74.21 H new ATOM 0 HD2 ARG A 22 14.446 -11.648 1.071 1.00 62.22 H new ATOM 0 HD3 ARG A 22 13.879 -12.332 2.581 1.00 62.22 H new ATOM 0 HE ARG A 22 13.809 -14.435 0.698 1.00 13.03 H new ATOM 0 HH11 ARG A 22 16.179 -12.266 2.163 1.00 60.45 H new ATOM 0 HH12 ARG A 22 17.499 -13.432 2.030 1.00 60.45 H new ATOM 0 HH21 ARG A 22 15.511 -15.927 0.530 1.00 42.25 H new ATOM 0 HH22 ARG A 22 17.123 -15.497 1.110 1.00 42.25 H new ATOM 338 N PRO A 23 11.170 -13.945 -2.558 1.00 75.11 N ATOM 339 CA PRO A 23 10.989 -15.322 -3.026 1.00 23.35 C ATOM 340 C PRO A 23 11.772 -16.328 -2.189 1.00 1.22 C ATOM 341 O PRO A 23 12.981 -16.192 -2.008 1.00 33.14 O ATOM 342 CB PRO A 23 11.526 -15.284 -4.458 1.00 35.41 C ATOM 343 CG PRO A 23 12.498 -14.155 -4.467 1.00 14.02 C ATOM 344 CD PRO A 23 11.958 -13.137 -3.503 1.00 51.53 C ATOM 0 HA PRO A 23 9.950 -15.643 -2.955 1.00 23.35 H new ATOM 0 HB2 PRO A 23 12.008 -16.224 -4.725 1.00 35.41 H new ATOM 0 HB3 PRO A 23 10.724 -15.122 -5.178 1.00 35.41 H new ATOM 0 HG2 PRO A 23 13.490 -14.491 -4.165 1.00 14.02 H new ATOM 0 HG3 PRO A 23 12.596 -13.732 -5.467 1.00 14.02 H new ATOM 0 HD2 PRO A 23 12.759 -12.597 -2.999 1.00 51.53 H new ATOM 0 HD3 PRO A 23 11.341 -12.394 -4.008 1.00 51.53 H new ATOM 352 N GLY A 24 11.074 -17.339 -1.680 1.00 60.13 N ATOM 353 CA GLY A 24 11.722 -18.353 -0.868 1.00 4.23 C ATOM 354 C GLY A 24 11.862 -17.933 0.581 1.00 61.24 C ATOM 355 O GLY A 24 12.786 -18.359 1.272 1.00 21.53 O ATOM 0 H GLY A 24 10.072 -17.474 -1.815 1.00 60.13 H new ATOM 0 HA2 GLY A 24 11.148 -19.278 -0.921 1.00 4.23 H new ATOM 0 HA3 GLY A 24 12.709 -18.566 -1.278 1.00 4.23 H new ATOM 359 N GLY A 25 10.942 -17.092 1.043 1.00 45.44 N ATOM 360 CA GLY A 25 10.986 -16.626 2.418 1.00 1.41 C ATOM 361 C GLY A 25 9.677 -16.851 3.149 1.00 14.44 C ATOM 362 O GLY A 25 8.808 -17.579 2.671 1.00 64.22 O ATOM 0 H GLY A 25 10.167 -16.725 0.491 1.00 45.44 H new ATOM 0 HA2 GLY A 25 11.787 -17.141 2.947 1.00 1.41 H new ATOM 0 HA3 GLY A 25 11.228 -15.563 2.431 1.00 1.41 H new ATOM 366 N LYS A 26 9.536 -16.224 4.312 1.00 53.20 N ATOM 367 CA LYS A 26 8.324 -16.359 5.111 1.00 12.50 C ATOM 368 C LYS A 26 7.850 -14.998 5.613 1.00 42.14 C ATOM 369 O LYS A 26 6.930 -14.911 6.427 1.00 14.01 O ATOM 370 CB LYS A 26 8.573 -17.293 6.297 1.00 70.23 C ATOM 371 CG LYS A 26 7.584 -18.443 6.383 1.00 24.54 C ATOM 372 CD LYS A 26 7.243 -18.780 7.824 1.00 43.45 C ATOM 373 CE LYS A 26 7.917 -20.068 8.270 1.00 22.41 C ATOM 374 NZ LYS A 26 7.116 -20.786 9.300 1.00 51.45 N ATOM 0 H LYS A 26 10.246 -15.617 4.722 1.00 53.20 H new ATOM 0 HA LYS A 26 7.546 -16.785 4.478 1.00 12.50 H new ATOM 0 HB2 LYS A 26 9.583 -17.698 6.225 1.00 70.23 H new ATOM 0 HB3 LYS A 26 8.527 -16.715 7.220 1.00 70.23 H new ATOM 0 HG2 LYS A 26 6.673 -18.181 5.845 1.00 24.54 H new ATOM 0 HG3 LYS A 26 8.003 -19.322 5.893 1.00 24.54 H new ATOM 0 HD2 LYS A 26 7.554 -17.962 8.473 1.00 43.45 H new ATOM 0 HD3 LYS A 26 6.163 -18.878 7.930 1.00 43.45 H new ATOM 0 HE2 LYS A 26 8.065 -20.718 7.407 1.00 22.41 H new ATOM 0 HE3 LYS A 26 8.905 -19.841 8.671 1.00 22.41 H new ATOM 0 HZ1 LYS A 26 7.609 -21.658 9.578 1.00 51.45 H new ATOM 0 HZ2 LYS A 26 6.996 -20.176 10.134 1.00 51.45 H new ATOM 0 HZ3 LYS A 26 6.183 -21.026 8.909 1.00 51.45 H new ATOM 388 N LYS A 27 8.483 -13.938 5.123 1.00 21.25 N ATOM 389 CA LYS A 27 8.124 -12.581 5.518 1.00 61.15 C ATOM 390 C LYS A 27 7.025 -12.025 4.620 1.00 3.42 C ATOM 391 O LYS A 27 7.090 -12.145 3.397 1.00 51.22 O ATOM 392 CB LYS A 27 9.352 -11.671 5.463 1.00 13.51 C ATOM 393 CG LYS A 27 10.595 -12.285 6.084 1.00 42.13 C ATOM 394 CD LYS A 27 11.363 -11.272 6.915 1.00 60.04 C ATOM 395 CE LYS A 27 11.004 -11.374 8.390 1.00 20.12 C ATOM 396 NZ LYS A 27 11.829 -12.395 9.092 1.00 11.13 N ATOM 0 H LYS A 27 9.248 -13.992 4.451 1.00 21.25 H new ATOM 0 HA LYS A 27 7.749 -12.614 6.541 1.00 61.15 H new ATOM 0 HB2 LYS A 27 9.562 -11.421 4.423 1.00 13.51 H new ATOM 0 HB3 LYS A 27 9.124 -10.737 5.976 1.00 13.51 H new ATOM 0 HG2 LYS A 27 10.310 -13.130 6.711 1.00 42.13 H new ATOM 0 HG3 LYS A 27 11.241 -12.676 5.297 1.00 42.13 H new ATOM 0 HD2 LYS A 27 12.434 -11.433 6.788 1.00 60.04 H new ATOM 0 HD3 LYS A 27 11.147 -10.266 6.556 1.00 60.04 H new ATOM 0 HE2 LYS A 27 11.145 -10.404 8.866 1.00 20.12 H new ATOM 0 HE3 LYS A 27 9.949 -11.628 8.490 1.00 20.12 H new ATOM 0 HZ1 LYS A 27 11.554 -12.434 10.094 1.00 11.13 H new ATOM 0 HZ2 LYS A 27 11.676 -13.326 8.654 1.00 11.13 H new ATOM 0 HZ3 LYS A 27 12.834 -12.139 9.019 1.00 11.13 H new ATOM 410 N GLN A 28 6.016 -11.416 5.235 1.00 10.23 N ATOM 411 CA GLN A 28 4.903 -10.840 4.490 1.00 1.14 C ATOM 412 C GLN A 28 4.973 -9.317 4.495 1.00 14.04 C ATOM 413 O GLN A 28 5.928 -8.732 5.009 1.00 2.53 O ATOM 414 CB GLN A 28 3.571 -11.302 5.082 1.00 72.13 C ATOM 415 CG GLN A 28 3.574 -12.758 5.522 1.00 4.25 C ATOM 416 CD GLN A 28 2.291 -13.157 6.225 1.00 54.14 C ATOM 417 OE1 GLN A 28 2.251 -13.270 7.451 1.00 12.32 O ATOM 418 NE2 GLN A 28 1.234 -13.374 5.451 1.00 3.32 N ATOM 0 H GLN A 28 5.947 -11.309 6.247 1.00 10.23 H new ATOM 0 HA GLN A 28 4.974 -11.185 3.459 1.00 1.14 H new ATOM 0 HB2 GLN A 28 3.325 -10.673 5.938 1.00 72.13 H new ATOM 0 HB3 GLN A 28 2.784 -11.156 4.342 1.00 72.13 H new ATOM 0 HG2 GLN A 28 3.720 -13.397 4.651 1.00 4.25 H new ATOM 0 HG3 GLN A 28 4.418 -12.930 6.189 1.00 4.25 H new ATOM 0 HE21 GLN A 28 1.312 -13.269 4.439 1.00 3.32 H new ATOM 0 HE22 GLN A 28 0.344 -13.646 5.868 1.00 3.32 H new ATOM 427 N TYR A 29 3.959 -8.681 3.920 1.00 14.31 N ATOM 428 CA TYR A 29 3.907 -7.225 3.856 1.00 54.43 C ATOM 429 C TYR A 29 3.102 -6.656 5.021 1.00 34.32 C ATOM 430 O TYR A 29 2.198 -7.308 5.543 1.00 52.31 O ATOM 431 CB TYR A 29 3.295 -6.773 2.530 1.00 3.54 C ATOM 432 CG TYR A 29 4.315 -6.551 1.436 1.00 34.31 C ATOM 433 CD1 TYR A 29 5.152 -5.441 1.454 1.00 75.54 C ATOM 434 CD2 TYR A 29 4.442 -7.450 0.384 1.00 13.51 C ATOM 435 CE1 TYR A 29 6.086 -5.235 0.456 1.00 42.34 C ATOM 436 CE2 TYR A 29 5.373 -7.251 -0.617 1.00 73.03 C ATOM 437 CZ TYR A 29 6.193 -6.142 -0.576 1.00 20.33 C ATOM 438 OH TYR A 29 7.121 -5.941 -1.572 1.00 50.22 O ATOM 0 H TYR A 29 3.161 -9.151 3.491 1.00 14.31 H new ATOM 0 HA TYR A 29 4.927 -6.848 3.925 1.00 54.43 H new ATOM 0 HB2 TYR A 29 2.576 -7.521 2.198 1.00 3.54 H new ATOM 0 HB3 TYR A 29 2.741 -5.848 2.692 1.00 3.54 H new ATOM 0 HD1 TYR A 29 5.071 -4.728 2.261 1.00 75.54 H new ATOM 0 HD2 TYR A 29 3.802 -8.319 0.348 1.00 13.51 H new ATOM 0 HE1 TYR A 29 6.729 -4.368 0.485 1.00 42.34 H new ATOM 0 HE2 TYR A 29 5.459 -7.960 -1.427 1.00 73.03 H new ATOM 0 HH TYR A 29 8.004 -6.228 -1.259 1.00 50.22 H new ATOM 448 N LYS A 30 3.437 -5.435 5.423 1.00 32.21 N ATOM 449 CA LYS A 30 2.746 -4.775 6.524 1.00 73.13 C ATOM 450 C LYS A 30 2.739 -3.262 6.332 1.00 43.41 C ATOM 451 O LYS A 30 3.402 -2.736 5.438 1.00 53.32 O ATOM 452 CB LYS A 30 3.412 -5.128 7.856 1.00 24.30 C ATOM 453 CG LYS A 30 2.530 -5.954 8.776 1.00 25.51 C ATOM 454 CD LYS A 30 3.185 -6.172 10.129 1.00 51.12 C ATOM 455 CE LYS A 30 3.573 -7.627 10.334 1.00 73.44 C ATOM 456 NZ LYS A 30 2.384 -8.524 10.338 1.00 32.25 N ATOM 0 H LYS A 30 4.184 -4.882 5.002 1.00 32.21 H new ATOM 0 HA LYS A 30 1.714 -5.127 6.536 1.00 73.13 H new ATOM 0 HB2 LYS A 30 4.332 -5.678 7.658 1.00 24.30 H new ATOM 0 HB3 LYS A 30 3.694 -4.207 8.367 1.00 24.30 H new ATOM 0 HG2 LYS A 30 1.572 -5.451 8.911 1.00 25.51 H new ATOM 0 HG3 LYS A 30 2.321 -6.918 8.312 1.00 25.51 H new ATOM 0 HD2 LYS A 30 4.072 -5.543 10.210 1.00 51.12 H new ATOM 0 HD3 LYS A 30 2.501 -5.862 10.919 1.00 51.12 H new ATOM 0 HE2 LYS A 30 4.257 -7.935 9.543 1.00 73.44 H new ATOM 0 HE3 LYS A 30 4.109 -7.730 11.278 1.00 73.44 H new ATOM 0 HZ1 LYS A 30 2.584 -9.363 10.919 1.00 32.25 H new ATOM 0 HZ2 LYS A 30 1.567 -8.016 10.733 1.00 32.25 H new ATOM 0 HZ3 LYS A 30 2.170 -8.821 9.365 1.00 32.25 H new ATOM 470 N LEU A 31 1.986 -2.567 7.178 1.00 52.42 N ATOM 471 CA LEU A 31 1.894 -1.113 7.104 1.00 53.30 C ATOM 472 C LEU A 31 3.280 -0.484 6.989 1.00 25.40 C ATOM 473 O LEU A 31 3.507 0.396 6.158 1.00 31.11 O ATOM 474 CB LEU A 31 1.174 -0.563 8.336 1.00 44.02 C ATOM 475 CG LEU A 31 0.179 0.570 8.082 1.00 41.13 C ATOM 476 CD1 LEU A 31 -1.207 0.011 7.800 1.00 20.30 C ATOM 477 CD2 LEU A 31 0.141 1.521 9.269 1.00 3.31 C ATOM 0 H LEU A 31 1.430 -2.987 7.923 1.00 52.42 H new ATOM 0 HA LEU A 31 1.323 -0.856 6.212 1.00 53.30 H new ATOM 0 HB2 LEU A 31 0.644 -1.384 8.819 1.00 44.02 H new ATOM 0 HB3 LEU A 31 1.924 -0.209 9.043 1.00 44.02 H new ATOM 0 HG LEU A 31 0.508 1.127 7.205 1.00 41.13 H new ATOM 0 HD11 LEU A 31 -1.901 0.832 7.622 1.00 20.30 H new ATOM 0 HD12 LEU A 31 -1.169 -0.629 6.919 1.00 20.30 H new ATOM 0 HD13 LEU A 31 -1.546 -0.571 8.657 1.00 20.30 H new ATOM 0 HD21 LEU A 31 -0.572 2.321 9.071 1.00 3.31 H new ATOM 0 HD22 LEU A 31 -0.164 0.976 10.162 1.00 3.31 H new ATOM 0 HD23 LEU A 31 1.132 1.948 9.425 1.00 3.31 H new ATOM 489 N LYS A 32 4.203 -0.944 7.826 1.00 13.31 N ATOM 490 CA LYS A 32 5.568 -0.430 7.818 1.00 30.53 C ATOM 491 C LYS A 32 6.029 -0.136 6.394 1.00 71.21 C ATOM 492 O LYS A 32 6.572 0.933 6.115 1.00 3.24 O ATOM 493 CB LYS A 32 6.517 -1.435 8.476 1.00 20.24 C ATOM 494 CG LYS A 32 6.193 -1.712 9.934 1.00 31.20 C ATOM 495 CD LYS A 32 6.628 -0.564 10.830 1.00 22.32 C ATOM 496 CE LYS A 32 5.496 0.426 11.055 1.00 23.15 C ATOM 497 NZ LYS A 32 5.239 0.655 12.504 1.00 24.23 N ATOM 0 H LYS A 32 4.031 -1.672 8.519 1.00 13.31 H new ATOM 0 HA LYS A 32 5.584 0.500 8.386 1.00 30.53 H new ATOM 0 HB2 LYS A 32 6.483 -2.372 7.920 1.00 20.24 H new ATOM 0 HB3 LYS A 32 7.538 -1.059 8.404 1.00 20.24 H new ATOM 0 HG2 LYS A 32 5.121 -1.875 10.045 1.00 31.20 H new ATOM 0 HG3 LYS A 32 6.689 -2.630 10.250 1.00 31.20 H new ATOM 0 HD2 LYS A 32 6.965 -0.957 11.789 1.00 22.32 H new ATOM 0 HD3 LYS A 32 7.478 -0.051 10.379 1.00 22.32 H new ATOM 0 HE2 LYS A 32 5.742 1.374 10.576 1.00 23.15 H new ATOM 0 HE3 LYS A 32 4.588 0.054 10.580 1.00 23.15 H new ATOM 0 HZ1 LYS A 32 4.461 1.336 12.615 1.00 24.23 H new ATOM 0 HZ2 LYS A 32 4.980 -0.245 12.957 1.00 24.23 H new ATOM 0 HZ3 LYS A 32 6.097 1.034 12.953 1.00 24.23 H new ATOM 511 N HIS A 33 5.809 -1.092 5.496 1.00 74.54 N ATOM 512 CA HIS A 33 6.201 -0.935 4.099 1.00 54.42 C ATOM 513 C HIS A 33 5.396 0.176 3.432 1.00 71.14 C ATOM 514 O HIS A 33 6.014 0.985 2.740 1.00 33.14 O ATOM 515 CB HIS A 33 6.005 -2.248 3.341 1.00 11.01 C ATOM 516 CG HIS A 33 6.664 -3.423 3.998 1.00 50.23 C ATOM 517 ND1 HIS A 33 5.958 -4.462 4.566 1.00 3.34 N ATOM 518 CD2 HIS A 33 7.973 -3.719 4.175 1.00 33.20 C ATOM 519 CE1 HIS A 33 6.804 -5.346 5.063 1.00 44.23 C ATOM 520 NE2 HIS A 33 8.033 -4.918 4.839 1.00 32.44 N ATOM 0 H HIS A 33 5.362 -1.983 5.711 1.00 74.54 H new ATOM 0 HA HIS A 33 7.256 -0.663 4.071 1.00 54.42 H new ATOM 0 HB2 HIS A 33 4.938 -2.447 3.245 1.00 11.01 H new ATOM 0 HB3 HIS A 33 6.400 -2.138 2.331 1.00 11.01 H new ATOM 0 HD2 HIS A 33 8.814 -3.122 3.853 1.00 33.20 H new ATOM 0 HE1 HIS A 33 6.536 -6.263 5.567 1.00 44.23 H new ATOM 0 HE2 HIS A 33 8.888 -5.401 5.115 1.00 32.44 H new ATOM 528 N ILE A 34 4.081 0.235 3.615 1.00 71.10 N ATOM 529 CA ILE A 34 3.271 1.279 2.998 1.00 41.10 C ATOM 530 C ILE A 34 3.784 2.665 3.371 1.00 3.10 C ATOM 531 O ILE A 34 4.112 3.472 2.502 1.00 1.34 O ATOM 532 CB ILE A 34 1.792 1.162 3.413 1.00 10.21 C ATOM 533 CG1 ILE A 34 1.197 -0.149 2.895 1.00 2.33 C ATOM 534 CG2 ILE A 34 1.001 2.352 2.891 1.00 60.14 C ATOM 535 CD1 ILE A 34 -0.190 -0.434 3.427 1.00 10.42 C ATOM 0 H ILE A 34 3.554 -0.427 4.185 1.00 71.10 H new ATOM 0 HA ILE A 34 3.349 1.144 1.919 1.00 41.10 H new ATOM 0 HB ILE A 34 1.733 1.160 4.501 1.00 10.21 H new ATOM 0 HG12 ILE A 34 1.160 -0.117 1.806 1.00 2.33 H new ATOM 0 HG13 ILE A 34 1.858 -0.972 3.168 1.00 2.33 H new ATOM 0 HG21 ILE A 34 -0.042 2.256 3.192 1.00 60.14 H new ATOM 0 HG22 ILE A 34 1.414 3.273 3.303 1.00 60.14 H new ATOM 0 HG23 ILE A 34 1.064 2.382 1.803 1.00 60.14 H new ATOM 0 HD11 ILE A 34 -0.549 -1.378 3.018 1.00 10.42 H new ATOM 0 HD12 ILE A 34 -0.156 -0.499 4.515 1.00 10.42 H new ATOM 0 HD13 ILE A 34 -0.865 0.369 3.132 1.00 10.42 H new ATOM 547 N VAL A 35 3.853 2.936 4.671 1.00 64.21 N ATOM 548 CA VAL A 35 4.328 4.224 5.161 1.00 33.41 C ATOM 549 C VAL A 35 5.670 4.587 4.536 1.00 35.22 C ATOM 550 O VAL A 35 5.866 5.709 4.068 1.00 24.15 O ATOM 551 CB VAL A 35 4.472 4.223 6.694 1.00 63.41 C ATOM 552 CG1 VAL A 35 5.022 5.556 7.180 1.00 33.31 C ATOM 553 CG2 VAL A 35 3.135 3.916 7.354 1.00 54.42 C ATOM 0 H VAL A 35 3.585 2.279 5.404 1.00 64.21 H new ATOM 0 HA VAL A 35 3.583 4.967 4.874 1.00 33.41 H new ATOM 0 HB VAL A 35 5.178 3.442 6.975 1.00 63.41 H new ATOM 0 HG11 VAL A 35 5.117 5.536 8.266 1.00 33.31 H new ATOM 0 HG12 VAL A 35 6.001 5.730 6.733 1.00 33.31 H new ATOM 0 HG13 VAL A 35 4.343 6.357 6.890 1.00 33.31 H new ATOM 0 HG21 VAL A 35 3.255 3.919 8.437 1.00 54.42 H new ATOM 0 HG22 VAL A 35 2.405 4.673 7.067 1.00 54.42 H new ATOM 0 HG23 VAL A 35 2.786 2.935 7.030 1.00 54.42 H new ATOM 563 N TRP A 36 6.593 3.631 4.531 1.00 20.42 N ATOM 564 CA TRP A 36 7.918 3.850 3.963 1.00 21.05 C ATOM 565 C TRP A 36 7.820 4.266 2.499 1.00 23.31 C ATOM 566 O TRP A 36 8.729 4.898 1.961 1.00 3.32 O ATOM 567 CB TRP A 36 8.766 2.584 4.090 1.00 45.00 C ATOM 568 CG TRP A 36 10.142 2.730 3.513 1.00 25.24 C ATOM 569 CD1 TRP A 36 11.293 2.993 4.197 1.00 52.43 C ATOM 570 CD2 TRP A 36 10.507 2.622 2.134 1.00 15.15 C ATOM 571 NE1 TRP A 36 12.354 3.056 3.325 1.00 55.24 N ATOM 572 CE2 TRP A 36 11.898 2.831 2.054 1.00 12.34 C ATOM 573 CE3 TRP A 36 9.797 2.368 0.957 1.00 51.20 C ATOM 574 CZ2 TRP A 36 12.589 2.794 0.845 1.00 64.03 C ATOM 575 CZ3 TRP A 36 10.483 2.332 -0.241 1.00 35.22 C ATOM 576 CH2 TRP A 36 11.868 2.543 -0.290 1.00 21.12 C ATOM 0 H TRP A 36 6.448 2.697 4.914 1.00 20.42 H new ATOM 0 HA TRP A 36 8.396 4.656 4.520 1.00 21.05 H new ATOM 0 HB2 TRP A 36 8.848 2.314 5.143 1.00 45.00 H new ATOM 0 HB3 TRP A 36 8.255 1.761 3.589 1.00 45.00 H new ATOM 0 HD1 TRP A 36 11.361 3.131 5.266 1.00 52.43 H new ATOM 0 HE1 TRP A 36 13.323 3.240 3.583 1.00 55.24 H new ATOM 0 HE3 TRP A 36 8.730 2.203 0.984 1.00 51.20 H new ATOM 0 HZ2 TRP A 36 13.656 2.958 0.805 1.00 64.03 H new ATOM 0 HZ3 TRP A 36 9.943 2.138 -1.156 1.00 35.22 H new ATOM 0 HH2 TRP A 36 12.376 2.507 -1.243 1.00 21.12 H new ATOM 587 N ALA A 37 6.711 3.907 1.859 1.00 0.30 N ATOM 588 CA ALA A 37 6.495 4.246 0.457 1.00 41.23 C ATOM 589 C ALA A 37 5.774 5.583 0.321 1.00 61.43 C ATOM 590 O ALA A 37 6.239 6.481 -0.381 1.00 72.45 O ATOM 591 CB ALA A 37 5.705 3.146 -0.236 1.00 71.54 C ATOM 0 H ALA A 37 5.949 3.382 2.289 1.00 0.30 H new ATOM 0 HA ALA A 37 7.469 4.337 -0.024 1.00 41.23 H new ATOM 0 HB1 ALA A 37 5.551 3.412 -1.282 1.00 71.54 H new ATOM 0 HB2 ALA A 37 6.258 2.209 -0.178 1.00 71.54 H new ATOM 0 HB3 ALA A 37 4.739 3.028 0.254 1.00 71.54 H new ATOM 597 N SER A 38 4.636 5.708 0.996 1.00 20.33 N ATOM 598 CA SER A 38 3.848 6.934 0.945 1.00 31.41 C ATOM 599 C SER A 38 4.684 8.135 1.375 1.00 50.20 C ATOM 600 O SER A 38 4.448 9.260 0.934 1.00 13.22 O ATOM 601 CB SER A 38 2.614 6.810 1.841 1.00 41.00 C ATOM 602 OG SER A 38 1.984 8.067 2.019 1.00 73.13 O ATOM 0 H SER A 38 4.239 4.976 1.585 1.00 20.33 H new ATOM 0 HA SER A 38 3.526 7.087 -0.085 1.00 31.41 H new ATOM 0 HB2 SER A 38 1.909 6.106 1.399 1.00 41.00 H new ATOM 0 HB3 SER A 38 2.904 6.405 2.810 1.00 41.00 H new ATOM 0 HG SER A 38 1.198 7.960 2.594 1.00 73.13 H new ATOM 608 N ARG A 39 5.664 7.888 2.240 1.00 25.35 N ATOM 609 CA ARG A 39 6.535 8.948 2.731 1.00 71.34 C ATOM 610 C ARG A 39 7.543 9.361 1.663 1.00 52.35 C ATOM 611 O ARG A 39 8.147 10.431 1.747 1.00 63.44 O ATOM 612 CB ARG A 39 7.270 8.489 3.991 1.00 72.53 C ATOM 613 CG ARG A 39 8.189 9.548 4.580 1.00 23.44 C ATOM 614 CD ARG A 39 8.398 9.336 6.071 1.00 34.11 C ATOM 615 NE ARG A 39 9.376 10.270 6.625 1.00 34.24 N ATOM 616 CZ ARG A 39 9.757 10.267 7.897 1.00 33.12 C ATOM 617 NH1 ARG A 39 9.248 9.382 8.743 1.00 0.34 N ATOM 618 NH2 ARG A 39 10.652 11.149 8.324 1.00 42.14 N ATOM 0 H ARG A 39 5.874 6.963 2.614 1.00 25.35 H new ATOM 0 HA ARG A 39 5.915 9.811 2.974 1.00 71.34 H new ATOM 0 HB2 ARG A 39 6.537 8.197 4.743 1.00 72.53 H new ATOM 0 HB3 ARG A 39 7.857 7.601 3.756 1.00 72.53 H new ATOM 0 HG2 ARG A 39 9.151 9.521 4.069 1.00 23.44 H new ATOM 0 HG3 ARG A 39 7.764 10.537 4.408 1.00 23.44 H new ATOM 0 HD2 ARG A 39 7.447 9.456 6.591 1.00 34.11 H new ATOM 0 HD3 ARG A 39 8.732 8.314 6.249 1.00 34.11 H new ATOM 0 HE ARG A 39 9.789 10.962 6.000 1.00 34.24 H new ATOM 0 HH11 ARG A 39 8.562 8.701 8.417 1.00 0.34 H new ATOM 0 HH12 ARG A 39 9.543 9.382 9.720 1.00 0.34 H new ATOM 0 HH21 ARG A 39 11.047 11.829 7.675 1.00 42.14 H new ATOM 0 HH22 ARG A 39 10.944 11.147 9.301 1.00 42.14 H new ATOM 632 N GLU A 40 7.720 8.507 0.660 1.00 72.22 N ATOM 633 CA GLU A 40 8.657 8.784 -0.422 1.00 24.12 C ATOM 634 C GLU A 40 7.984 9.589 -1.531 1.00 63.14 C ATOM 635 O GLU A 40 8.525 10.591 -2.001 1.00 64.53 O ATOM 636 CB GLU A 40 9.213 7.477 -0.992 1.00 32.45 C ATOM 637 CG GLU A 40 10.487 7.658 -1.799 1.00 0.22 C ATOM 638 CD GLU A 40 11.729 7.251 -1.029 1.00 23.04 C ATOM 639 OE1 GLU A 40 11.945 7.789 0.077 1.00 32.42 O ATOM 640 OE2 GLU A 40 12.483 6.392 -1.533 1.00 65.03 O ATOM 0 H GLU A 40 7.227 7.618 0.574 1.00 72.22 H new ATOM 0 HA GLU A 40 9.479 9.373 -0.015 1.00 24.12 H new ATOM 0 HB2 GLU A 40 9.408 6.787 -0.171 1.00 32.45 H new ATOM 0 HB3 GLU A 40 8.455 7.015 -1.624 1.00 32.45 H new ATOM 0 HG2 GLU A 40 10.421 7.067 -2.713 1.00 0.22 H new ATOM 0 HG3 GLU A 40 10.577 8.702 -2.100 1.00 0.22 H new ATOM 647 N LEU A 41 6.803 9.144 -1.944 1.00 44.13 N ATOM 648 CA LEU A 41 6.055 9.822 -2.996 1.00 1.03 C ATOM 649 C LEU A 41 5.914 11.310 -2.693 1.00 64.12 C ATOM 650 O LEU A 41 6.096 12.152 -3.571 1.00 35.44 O ATOM 651 CB LEU A 41 4.672 9.189 -3.156 1.00 24.33 C ATOM 652 CG LEU A 41 4.651 7.701 -3.510 1.00 42.03 C ATOM 653 CD1 LEU A 41 3.226 7.171 -3.506 1.00 44.30 C ATOM 654 CD2 LEU A 41 5.305 7.466 -4.863 1.00 33.11 C ATOM 0 H LEU A 41 6.342 8.316 -1.566 1.00 44.13 H new ATOM 0 HA LEU A 41 6.608 9.711 -3.929 1.00 1.03 H new ATOM 0 HB2 LEU A 41 4.121 9.328 -2.226 1.00 24.33 H new ATOM 0 HB3 LEU A 41 4.133 9.734 -3.931 1.00 24.33 H new ATOM 0 HG LEU A 41 5.220 7.160 -2.754 1.00 42.03 H new ATOM 0 HD11 LEU A 41 3.231 6.111 -3.760 1.00 44.30 H new ATOM 0 HD12 LEU A 41 2.791 7.305 -2.516 1.00 44.30 H new ATOM 0 HD13 LEU A 41 2.633 7.717 -4.240 1.00 44.30 H new ATOM 0 HD21 LEU A 41 5.281 6.402 -5.099 1.00 33.11 H new ATOM 0 HD22 LEU A 41 4.764 8.020 -5.630 1.00 33.11 H new ATOM 0 HD23 LEU A 41 6.340 7.808 -4.831 1.00 33.11 H new ATOM 666 N GLU A 42 5.591 11.625 -1.443 1.00 40.00 N ATOM 667 CA GLU A 42 5.427 13.013 -1.024 1.00 62.54 C ATOM 668 C GLU A 42 6.629 13.853 -1.443 1.00 21.33 C ATOM 669 O GLU A 42 6.488 15.023 -1.797 1.00 41.42 O ATOM 670 CB GLU A 42 5.239 13.091 0.493 1.00 15.10 C ATOM 671 CG GLU A 42 4.934 14.492 0.997 1.00 13.01 C ATOM 672 CD GLU A 42 4.901 14.573 2.511 1.00 12.33 C ATOM 673 OE1 GLU A 42 5.409 13.641 3.167 1.00 32.31 O ATOM 674 OE2 GLU A 42 4.367 15.572 3.039 1.00 32.11 O ATOM 0 H GLU A 42 5.438 10.940 -0.703 1.00 40.00 H new ATOM 0 HA GLU A 42 4.539 13.412 -1.514 1.00 62.54 H new ATOM 0 HB2 GLU A 42 4.428 12.424 0.785 1.00 15.10 H new ATOM 0 HB3 GLU A 42 6.143 12.727 0.982 1.00 15.10 H new ATOM 0 HG2 GLU A 42 5.686 15.183 0.616 1.00 13.01 H new ATOM 0 HG3 GLU A 42 3.973 14.816 0.598 1.00 13.01 H new ATOM 681 N ARG A 43 7.812 13.247 -1.400 1.00 24.45 N ATOM 682 CA ARG A 43 9.039 13.940 -1.775 1.00 65.40 C ATOM 683 C ARG A 43 9.314 13.789 -3.268 1.00 14.42 C ATOM 684 O ARG A 43 10.087 14.553 -3.847 1.00 35.20 O ATOM 685 CB ARG A 43 10.221 13.396 -0.970 1.00 14.43 C ATOM 686 CG ARG A 43 11.545 14.062 -1.308 1.00 2.03 C ATOM 687 CD ARG A 43 12.404 13.174 -2.196 1.00 2.52 C ATOM 688 NE ARG A 43 13.580 13.879 -2.699 1.00 33.21 N ATOM 689 CZ ARG A 43 14.592 13.275 -3.313 1.00 21.20 C ATOM 690 NH1 ARG A 43 14.571 11.962 -3.499 1.00 43.43 N ATOM 691 NH2 ARG A 43 15.628 13.985 -3.743 1.00 65.12 N ATOM 0 H ARG A 43 7.946 12.279 -1.109 1.00 24.45 H new ATOM 0 HA ARG A 43 8.912 14.999 -1.552 1.00 65.40 H new ATOM 0 HB2 ARG A 43 10.018 13.529 0.093 1.00 14.43 H new ATOM 0 HB3 ARG A 43 10.308 12.324 -1.147 1.00 14.43 H new ATOM 0 HG2 ARG A 43 11.358 15.011 -1.812 1.00 2.03 H new ATOM 0 HG3 ARG A 43 12.084 14.290 -0.389 1.00 2.03 H new ATOM 0 HD2 ARG A 43 12.721 12.296 -1.633 1.00 2.52 H new ATOM 0 HD3 ARG A 43 11.809 12.816 -3.036 1.00 2.52 H new ATOM 0 HE ARG A 43 13.627 14.890 -2.572 1.00 33.21 H new ATOM 0 HH11 ARG A 43 13.777 11.413 -3.170 1.00 43.43 H new ATOM 0 HH12 ARG A 43 15.349 11.501 -3.971 1.00 43.43 H new ATOM 0 HH21 ARG A 43 15.648 14.995 -3.602 1.00 65.12 H new ATOM 0 HH22 ARG A 43 16.404 13.520 -4.214 1.00 65.12 H new ATOM 705 N PHE A 44 8.676 12.801 -3.886 1.00 42.42 N ATOM 706 CA PHE A 44 8.853 12.551 -5.311 1.00 21.33 C ATOM 707 C PHE A 44 7.814 13.311 -6.131 1.00 73.53 C ATOM 708 O PHE A 44 7.478 12.916 -7.247 1.00 53.14 O ATOM 709 CB PHE A 44 8.752 11.052 -5.603 1.00 31.14 C ATOM 710 CG PHE A 44 9.945 10.502 -6.333 1.00 70.12 C ATOM 711 CD1 PHE A 44 10.358 11.060 -7.532 1.00 72.23 C ATOM 712 CD2 PHE A 44 10.652 9.427 -5.819 1.00 11.32 C ATOM 713 CE1 PHE A 44 11.455 10.556 -8.205 1.00 71.44 C ATOM 714 CE2 PHE A 44 11.750 8.918 -6.488 1.00 63.41 C ATOM 715 CZ PHE A 44 12.152 9.484 -7.682 1.00 2.23 C ATOM 0 H PHE A 44 8.032 12.160 -3.422 1.00 42.42 H new ATOM 0 HA PHE A 44 9.844 12.905 -5.596 1.00 21.33 H new ATOM 0 HB2 PHE A 44 8.632 10.514 -4.663 1.00 31.14 H new ATOM 0 HB3 PHE A 44 7.856 10.865 -6.195 1.00 31.14 H new ATOM 0 HD1 PHE A 44 9.817 11.898 -7.945 1.00 72.23 H new ATOM 0 HD2 PHE A 44 10.342 8.982 -4.885 1.00 11.32 H new ATOM 0 HE1 PHE A 44 11.767 11.000 -9.139 1.00 71.44 H new ATOM 0 HE2 PHE A 44 12.292 8.079 -6.077 1.00 63.41 H new ATOM 0 HZ PHE A 44 13.010 9.089 -8.206 1.00 2.23 H new ATOM 725 N ALA A 45 7.309 14.403 -5.567 1.00 24.33 N ATOM 726 CA ALA A 45 6.309 15.219 -6.244 1.00 15.40 C ATOM 727 C ALA A 45 5.044 14.417 -6.526 1.00 22.14 C ATOM 728 O ALA A 45 4.211 14.817 -7.340 1.00 50.54 O ATOM 729 CB ALA A 45 6.878 15.783 -7.538 1.00 51.23 C ATOM 0 H ALA A 45 7.576 14.743 -4.643 1.00 24.33 H new ATOM 0 HA ALA A 45 6.043 16.045 -5.585 1.00 15.40 H new ATOM 0 HB1 ALA A 45 6.121 16.391 -8.034 1.00 51.23 H new ATOM 0 HB2 ALA A 45 7.749 16.399 -7.314 1.00 51.23 H new ATOM 0 HB3 ALA A 45 7.172 14.964 -8.194 1.00 51.23 H new ATOM 735 N VAL A 46 4.904 13.282 -5.848 1.00 55.03 N ATOM 736 CA VAL A 46 3.740 12.424 -6.025 1.00 73.31 C ATOM 737 C VAL A 46 2.906 12.358 -4.750 1.00 15.21 C ATOM 738 O VAL A 46 3.435 12.132 -3.662 1.00 1.24 O ATOM 739 CB VAL A 46 4.152 10.995 -6.430 1.00 12.30 C ATOM 740 CG1 VAL A 46 2.945 10.070 -6.427 1.00 4.13 C ATOM 741 CG2 VAL A 46 4.826 11.002 -7.793 1.00 23.54 C ATOM 0 H VAL A 46 5.583 12.936 -5.171 1.00 55.03 H new ATOM 0 HA VAL A 46 3.143 12.863 -6.824 1.00 73.31 H new ATOM 0 HB VAL A 46 4.868 10.620 -5.698 1.00 12.30 H new ATOM 0 HG11 VAL A 46 3.255 9.066 -6.715 1.00 4.13 H new ATOM 0 HG12 VAL A 46 2.510 10.042 -5.428 1.00 4.13 H new ATOM 0 HG13 VAL A 46 2.203 10.438 -7.136 1.00 4.13 H new ATOM 0 HG21 VAL A 46 5.110 9.985 -8.063 1.00 23.54 H new ATOM 0 HG22 VAL A 46 4.135 11.396 -8.538 1.00 23.54 H new ATOM 0 HG23 VAL A 46 5.716 11.630 -7.755 1.00 23.54 H new ATOM 751 N ASN A 47 1.601 12.557 -4.894 1.00 64.24 N ATOM 752 CA ASN A 47 0.692 12.520 -3.753 1.00 42.34 C ATOM 753 C ASN A 47 0.481 11.089 -3.270 1.00 70.41 C ATOM 754 O ASN A 47 0.323 10.158 -4.061 1.00 10.41 O ATOM 755 CB ASN A 47 -0.653 13.149 -4.124 1.00 75.20 C ATOM 756 CG ASN A 47 -0.864 14.497 -3.464 1.00 15.42 C ATOM 757 OD1 ASN A 47 -1.307 14.577 -2.318 1.00 1.24 O ATOM 758 ND2 ASN A 47 -0.545 15.566 -4.186 1.00 72.21 N ATOM 0 H ASN A 47 1.148 12.746 -5.788 1.00 64.24 H new ATOM 0 HA ASN A 47 1.143 13.094 -2.944 1.00 42.34 H new ATOM 0 HB2 ASN A 47 -0.710 13.265 -5.206 1.00 75.20 H new ATOM 0 HB3 ASN A 47 -1.459 12.475 -3.833 1.00 75.20 H new ATOM 0 HD21 ASN A 47 -0.664 16.500 -3.794 1.00 72.21 H new ATOM 0 HD22 ASN A 47 -0.181 15.452 -5.132 1.00 72.21 H new ATOM 765 N PRO A 48 0.479 10.907 -1.942 1.00 61.34 N ATOM 766 CA PRO A 48 0.287 9.591 -1.324 1.00 53.22 C ATOM 767 C PRO A 48 -1.136 9.070 -1.496 1.00 51.43 C ATOM 768 O PRO A 48 -1.445 7.942 -1.117 1.00 30.44 O ATOM 769 CB PRO A 48 0.587 9.847 0.156 1.00 33.24 C ATOM 770 CG PRO A 48 0.302 11.295 0.355 1.00 10.13 C ATOM 771 CD PRO A 48 0.663 11.970 -0.940 1.00 24.24 C ATOM 0 HA PRO A 48 0.924 8.832 -1.778 1.00 53.22 H new ATOM 0 HB2 PRO A 48 -0.038 9.228 0.800 1.00 33.24 H new ATOM 0 HB3 PRO A 48 1.624 9.611 0.396 1.00 33.24 H new ATOM 0 HG2 PRO A 48 -0.748 11.456 0.600 1.00 10.13 H new ATOM 0 HG3 PRO A 48 0.887 11.698 1.182 1.00 10.13 H new ATOM 0 HD2 PRO A 48 0.019 12.826 -1.140 1.00 24.24 H new ATOM 0 HD3 PRO A 48 1.689 12.338 -0.929 1.00 24.24 H new ATOM 779 N GLY A 49 -1.999 9.903 -2.072 1.00 74.53 N ATOM 780 CA GLY A 49 -3.379 9.508 -2.285 1.00 30.31 C ATOM 781 C GLY A 49 -3.554 8.657 -3.527 1.00 2.21 C ATOM 782 O GLY A 49 -4.638 8.128 -3.779 1.00 13.42 O ATOM 0 H GLY A 49 -1.767 10.843 -2.394 1.00 74.53 H new ATOM 0 HA2 GLY A 49 -3.733 8.954 -1.416 1.00 30.31 H new ATOM 0 HA3 GLY A 49 -4.000 10.400 -2.369 1.00 30.31 H new ATOM 786 N LEU A 50 -2.486 8.524 -4.307 1.00 50.24 N ATOM 787 CA LEU A 50 -2.527 7.733 -5.531 1.00 53.35 C ATOM 788 C LEU A 50 -2.152 6.281 -5.253 1.00 32.13 C ATOM 789 O LEU A 50 -1.766 5.543 -6.161 1.00 22.03 O ATOM 790 CB LEU A 50 -1.579 8.325 -6.576 1.00 61.04 C ATOM 791 CG LEU A 50 -1.580 9.849 -6.696 1.00 63.14 C ATOM 792 CD1 LEU A 50 -0.355 10.326 -7.460 1.00 32.55 C ATOM 793 CD2 LEU A 50 -2.855 10.330 -7.374 1.00 31.43 C ATOM 0 H LEU A 50 -1.582 8.954 -4.113 1.00 50.24 H new ATOM 0 HA LEU A 50 -3.546 7.759 -5.917 1.00 53.35 H new ATOM 0 HB2 LEU A 50 -0.565 8.000 -6.343 1.00 61.04 H new ATOM 0 HB3 LEU A 50 -1.834 7.904 -7.549 1.00 61.04 H new ATOM 0 HG LEU A 50 -1.544 10.273 -5.692 1.00 63.14 H new ATOM 0 HD11 LEU A 50 -0.374 11.413 -7.535 1.00 32.55 H new ATOM 0 HD12 LEU A 50 0.547 10.014 -6.933 1.00 32.55 H new ATOM 0 HD13 LEU A 50 -0.359 9.893 -8.460 1.00 32.55 H new ATOM 0 HD21 LEU A 50 -2.838 11.417 -7.451 1.00 31.43 H new ATOM 0 HD22 LEU A 50 -2.922 9.897 -8.372 1.00 31.43 H new ATOM 0 HD23 LEU A 50 -3.719 10.021 -6.785 1.00 31.43 H new ATOM 805 N LEU A 51 -2.270 5.875 -3.994 1.00 11.30 N ATOM 806 CA LEU A 51 -1.947 4.510 -3.595 1.00 34.34 C ATOM 807 C LEU A 51 -3.210 3.733 -3.238 1.00 74.22 C ATOM 808 O LEU A 51 -3.197 2.504 -3.180 1.00 11.01 O ATOM 809 CB LEU A 51 -0.985 4.519 -2.406 1.00 24.42 C ATOM 810 CG LEU A 51 0.309 5.310 -2.595 1.00 2.41 C ATOM 811 CD1 LEU A 51 1.144 5.279 -1.324 1.00 11.24 C ATOM 812 CD2 LEU A 51 1.103 4.762 -3.771 1.00 31.00 C ATOM 0 H LEU A 51 -2.587 6.473 -3.231 1.00 11.30 H new ATOM 0 HA LEU A 51 -1.466 4.015 -4.439 1.00 34.34 H new ATOM 0 HB2 LEU A 51 -1.511 4.924 -1.542 1.00 24.42 H new ATOM 0 HB3 LEU A 51 -0.725 3.488 -2.167 1.00 24.42 H new ATOM 0 HG LEU A 51 0.050 6.347 -2.810 1.00 2.41 H new ATOM 0 HD11 LEU A 51 2.061 5.847 -1.477 1.00 11.24 H new ATOM 0 HD12 LEU A 51 0.576 5.720 -0.505 1.00 11.24 H new ATOM 0 HD13 LEU A 51 1.393 4.247 -1.078 1.00 11.24 H new ATOM 0 HD21 LEU A 51 2.021 5.338 -3.890 1.00 31.00 H new ATOM 0 HD22 LEU A 51 1.351 3.717 -3.587 1.00 31.00 H new ATOM 0 HD23 LEU A 51 0.506 4.838 -4.680 1.00 31.00 H new ATOM 824 N GLU A 52 -4.298 4.458 -3.002 1.00 54.54 N ATOM 825 CA GLU A 52 -5.569 3.836 -2.651 1.00 70.01 C ATOM 826 C GLU A 52 -6.331 3.413 -3.903 1.00 61.21 C ATOM 827 O GLU A 52 -7.157 2.500 -3.863 1.00 32.33 O ATOM 828 CB GLU A 52 -6.422 4.799 -1.822 1.00 73.02 C ATOM 829 CG GLU A 52 -6.762 6.090 -2.549 1.00 64.11 C ATOM 830 CD GLU A 52 -8.257 6.335 -2.633 1.00 55.23 C ATOM 831 OE1 GLU A 52 -9.015 5.349 -2.746 1.00 50.00 O ATOM 832 OE2 GLU A 52 -8.667 7.513 -2.585 1.00 44.12 O ATOM 0 H GLU A 52 -4.325 5.477 -3.047 1.00 54.54 H new ATOM 0 HA GLU A 52 -5.358 2.947 -2.057 1.00 70.01 H new ATOM 0 HB2 GLU A 52 -7.347 4.298 -1.536 1.00 73.02 H new ATOM 0 HB3 GLU A 52 -5.892 5.039 -0.900 1.00 73.02 H new ATOM 0 HG2 GLU A 52 -6.288 6.927 -2.036 1.00 64.11 H new ATOM 0 HG3 GLU A 52 -6.346 6.056 -3.556 1.00 64.11 H new ATOM 839 N THR A 53 -6.049 4.084 -5.016 1.00 71.11 N ATOM 840 CA THR A 53 -6.708 3.780 -6.280 1.00 73.45 C ATOM 841 C THR A 53 -5.735 3.148 -7.269 1.00 62.44 C ATOM 842 O THR A 53 -4.633 3.653 -7.479 1.00 75.25 O ATOM 843 CB THR A 53 -7.317 5.044 -6.913 1.00 25.34 C ATOM 844 OG1 THR A 53 -6.396 5.617 -7.847 1.00 5.43 O ATOM 845 CG2 THR A 53 -7.670 6.069 -5.845 1.00 35.43 C ATOM 0 H THR A 53 -5.368 4.842 -5.067 1.00 71.11 H new ATOM 0 HA THR A 53 -7.507 3.072 -6.058 1.00 73.45 H new ATOM 0 HB THR A 53 -8.231 4.758 -7.434 1.00 25.34 H new ATOM 0 HG1 THR A 53 -6.581 5.269 -8.744 1.00 5.43 H new ATOM 0 HG21 THR A 53 -8.099 6.953 -6.317 1.00 35.43 H new ATOM 0 HG22 THR A 53 -8.395 5.639 -5.154 1.00 35.43 H new ATOM 0 HG23 THR A 53 -6.770 6.350 -5.298 1.00 35.43 H new ATOM 853 N SER A 54 -6.150 2.040 -7.875 1.00 43.24 N ATOM 854 CA SER A 54 -5.314 1.338 -8.840 1.00 32.31 C ATOM 855 C SER A 54 -4.837 2.285 -9.937 1.00 21.33 C ATOM 856 O SER A 54 -3.752 2.112 -10.491 1.00 0.35 O ATOM 857 CB SER A 54 -6.084 0.169 -9.460 1.00 51.44 C ATOM 858 OG SER A 54 -5.237 -0.950 -9.662 1.00 11.54 O ATOM 0 H SER A 54 -7.061 1.610 -7.714 1.00 43.24 H new ATOM 0 HA SER A 54 -4.442 0.951 -8.313 1.00 32.31 H new ATOM 0 HB2 SER A 54 -6.912 -0.111 -8.809 1.00 51.44 H new ATOM 0 HB3 SER A 54 -6.516 0.478 -10.412 1.00 51.44 H new ATOM 0 HG SER A 54 -5.781 -1.761 -9.747 1.00 11.54 H new ATOM 864 N GLU A 55 -5.657 3.286 -10.245 1.00 61.54 N ATOM 865 CA GLU A 55 -5.319 4.260 -11.275 1.00 44.13 C ATOM 866 C GLU A 55 -4.071 5.048 -10.890 1.00 15.33 C ATOM 867 O GLU A 55 -3.245 5.379 -11.741 1.00 2.25 O ATOM 868 CB GLU A 55 -6.489 5.218 -11.505 1.00 24.15 C ATOM 869 CG GLU A 55 -6.642 5.657 -12.952 1.00 54.30 C ATOM 870 CD GLU A 55 -7.441 6.937 -13.092 1.00 14.44 C ATOM 871 OE1 GLU A 55 -8.319 7.184 -12.239 1.00 4.25 O ATOM 872 OE2 GLU A 55 -7.188 7.693 -14.054 1.00 45.34 O ATOM 0 H GLU A 55 -6.559 3.443 -9.796 1.00 61.54 H new ATOM 0 HA GLU A 55 -5.115 3.718 -12.198 1.00 44.13 H new ATOM 0 HB2 GLU A 55 -7.411 4.736 -11.181 1.00 24.15 H new ATOM 0 HB3 GLU A 55 -6.354 6.100 -10.879 1.00 24.15 H new ATOM 0 HG2 GLU A 55 -5.654 5.800 -13.391 1.00 54.30 H new ATOM 0 HG3 GLU A 55 -7.131 4.864 -13.518 1.00 54.30 H new ATOM 879 N GLY A 56 -3.939 5.347 -9.601 1.00 22.51 N ATOM 880 CA GLY A 56 -2.790 6.094 -9.126 1.00 51.02 C ATOM 881 C GLY A 56 -1.480 5.385 -9.408 1.00 14.23 C ATOM 882 O GLY A 56 -0.547 5.982 -9.946 1.00 50.15 O ATOM 0 H GLY A 56 -4.608 5.085 -8.877 1.00 22.51 H new ATOM 0 HA2 GLY A 56 -2.778 7.076 -9.600 1.00 51.02 H new ATOM 0 HA3 GLY A 56 -2.886 6.259 -8.053 1.00 51.02 H new ATOM 886 N CYS A 57 -1.409 4.110 -9.044 1.00 2.12 N ATOM 887 CA CYS A 57 -0.203 3.319 -9.259 1.00 54.05 C ATOM 888 C CYS A 57 0.163 3.276 -10.739 1.00 23.12 C ATOM 889 O CYS A 57 1.326 3.443 -11.106 1.00 31.41 O ATOM 890 CB CYS A 57 -0.397 1.897 -8.728 1.00 2.53 C ATOM 891 SG CYS A 57 -0.232 1.751 -6.934 1.00 42.54 S ATOM 0 H CYS A 57 -2.173 3.602 -8.598 1.00 2.12 H new ATOM 0 HA CYS A 57 0.613 3.794 -8.715 1.00 54.05 H new ATOM 0 HB2 CYS A 57 -1.385 1.543 -9.021 1.00 2.53 H new ATOM 0 HB3 CYS A 57 0.331 1.240 -9.204 1.00 2.53 H new ATOM 0 HG CYS A 57 -0.203 0.495 -6.602 1.00 42.54 H new ATOM 897 N ARG A 58 -0.838 3.050 -11.584 1.00 53.34 N ATOM 898 CA ARG A 58 -0.621 2.983 -13.024 1.00 72.24 C ATOM 899 C ARG A 58 0.270 4.129 -13.495 1.00 42.42 C ATOM 900 O ARG A 58 1.025 3.986 -14.456 1.00 22.21 O ATOM 901 CB ARG A 58 -1.958 3.025 -13.765 1.00 22.01 C ATOM 902 CG ARG A 58 -1.829 2.832 -15.267 1.00 43.02 C ATOM 903 CD ARG A 58 -2.015 4.143 -16.016 1.00 61.31 C ATOM 904 NE ARG A 58 -3.421 4.527 -16.108 1.00 70.45 N ATOM 905 CZ ARG A 58 -3.838 5.673 -16.634 1.00 33.44 C ATOM 906 NH1 ARG A 58 -2.961 6.543 -17.114 1.00 74.21 N ATOM 907 NH2 ARG A 58 -5.134 5.949 -16.682 1.00 2.43 N ATOM 0 H ARG A 58 -1.807 2.910 -11.296 1.00 53.34 H new ATOM 0 HA ARG A 58 -0.119 2.041 -13.246 1.00 72.24 H new ATOM 0 HB2 ARG A 58 -2.611 2.251 -13.363 1.00 22.01 H new ATOM 0 HB3 ARG A 58 -2.441 3.982 -13.571 1.00 22.01 H new ATOM 0 HG2 ARG A 58 -0.849 2.416 -15.498 1.00 43.02 H new ATOM 0 HG3 ARG A 58 -2.571 2.109 -15.607 1.00 43.02 H new ATOM 0 HD2 ARG A 58 -1.456 4.931 -15.511 1.00 61.31 H new ATOM 0 HD3 ARG A 58 -1.599 4.050 -17.019 1.00 61.31 H new ATOM 0 HE ARG A 58 -4.122 3.879 -15.748 1.00 70.45 H new ATOM 0 HH11 ARG A 58 -1.963 6.333 -17.080 1.00 74.21 H new ATOM 0 HH12 ARG A 58 -3.284 7.422 -17.518 1.00 74.21 H new ATOM 0 HH21 ARG A 58 -5.812 5.281 -16.315 1.00 2.43 H new ATOM 0 HH22 ARG A 58 -5.453 6.829 -17.086 1.00 2.43 H new ATOM 921 N GLN A 59 0.176 5.264 -12.810 1.00 43.21 N ATOM 922 CA GLN A 59 0.972 6.434 -13.159 1.00 41.55 C ATOM 923 C GLN A 59 2.260 6.479 -12.343 1.00 12.52 C ATOM 924 O GLN A 59 3.306 6.896 -12.840 1.00 74.32 O ATOM 925 CB GLN A 59 0.164 7.714 -12.931 1.00 53.14 C ATOM 926 CG GLN A 59 -0.466 8.269 -14.197 1.00 45.33 C ATOM 927 CD GLN A 59 -1.156 9.600 -13.970 1.00 13.20 C ATOM 928 OE1 GLN A 59 -0.592 10.659 -14.249 1.00 51.42 O ATOM 929 NE2 GLN A 59 -2.381 9.554 -13.462 1.00 0.54 N ATOM 0 H GLN A 59 -0.443 5.398 -12.011 1.00 43.21 H new ATOM 0 HA GLN A 59 1.234 6.362 -14.214 1.00 41.55 H new ATOM 0 HB2 GLN A 59 -0.621 7.513 -12.202 1.00 53.14 H new ATOM 0 HB3 GLN A 59 0.815 8.472 -12.497 1.00 53.14 H new ATOM 0 HG2 GLN A 59 0.304 8.388 -14.959 1.00 45.33 H new ATOM 0 HG3 GLN A 59 -1.189 7.551 -14.584 1.00 45.33 H new ATOM 0 HE21 GLN A 59 -2.810 8.654 -13.246 1.00 0.54 H new ATOM 0 HE22 GLN A 59 -2.894 10.418 -13.288 1.00 0.54 H new ATOM 938 N ILE A 60 2.176 6.049 -11.089 1.00 44.31 N ATOM 939 CA ILE A 60 3.334 6.040 -10.205 1.00 32.11 C ATOM 940 C ILE A 60 4.384 5.043 -10.686 1.00 64.03 C ATOM 941 O ILE A 60 5.578 5.211 -10.431 1.00 3.45 O ATOM 942 CB ILE A 60 2.936 5.692 -8.759 1.00 53.45 C ATOM 943 CG1 ILE A 60 1.909 6.697 -8.233 1.00 72.31 C ATOM 944 CG2 ILE A 60 4.166 5.666 -7.862 1.00 34.52 C ATOM 945 CD1 ILE A 60 1.008 6.133 -7.157 1.00 14.21 C ATOM 0 H ILE A 60 1.317 5.702 -10.662 1.00 44.31 H new ATOM 0 HA ILE A 60 3.754 7.045 -10.225 1.00 32.11 H new ATOM 0 HB ILE A 60 2.483 4.700 -8.752 1.00 53.45 H new ATOM 0 HG12 ILE A 60 2.433 7.567 -7.837 1.00 72.31 H new ATOM 0 HG13 ILE A 60 1.295 7.046 -9.064 1.00 72.31 H new ATOM 0 HG21 ILE A 60 3.868 5.419 -6.843 1.00 34.52 H new ATOM 0 HG22 ILE A 60 4.867 4.916 -8.227 1.00 34.52 H new ATOM 0 HG23 ILE A 60 4.645 6.645 -7.872 1.00 34.52 H new ATOM 0 HD11 ILE A 60 0.306 6.900 -6.831 1.00 14.21 H new ATOM 0 HD12 ILE A 60 0.456 5.281 -7.554 1.00 14.21 H new ATOM 0 HD13 ILE A 60 1.612 5.810 -6.309 1.00 14.21 H new ATOM 957 N LEU A 61 3.932 4.007 -11.382 1.00 71.14 N ATOM 958 CA LEU A 61 4.833 2.982 -11.900 1.00 23.14 C ATOM 959 C LEU A 61 5.384 3.383 -13.265 1.00 74.11 C ATOM 960 O LEU A 61 6.462 2.944 -13.663 1.00 32.30 O ATOM 961 CB LEU A 61 4.104 1.642 -12.007 1.00 63.44 C ATOM 962 CG LEU A 61 3.721 0.979 -10.682 1.00 13.30 C ATOM 963 CD1 LEU A 61 2.596 -0.022 -10.892 1.00 35.32 C ATOM 964 CD2 LEU A 61 4.931 0.302 -10.055 1.00 23.44 C ATOM 0 H LEU A 61 2.948 3.853 -11.601 1.00 71.14 H new ATOM 0 HA LEU A 61 5.667 2.881 -11.206 1.00 23.14 H new ATOM 0 HB2 LEU A 61 3.196 1.790 -12.592 1.00 63.44 H new ATOM 0 HB3 LEU A 61 4.735 0.952 -12.567 1.00 63.44 H new ATOM 0 HG LEU A 61 3.369 1.752 -9.999 1.00 13.30 H new ATOM 0 HD11 LEU A 61 2.337 -0.483 -9.939 1.00 35.32 H new ATOM 0 HD12 LEU A 61 1.723 0.491 -11.296 1.00 35.32 H new ATOM 0 HD13 LEU A 61 2.920 -0.792 -11.592 1.00 35.32 H new ATOM 0 HD21 LEU A 61 4.640 -0.164 -9.114 1.00 23.44 H new ATOM 0 HD22 LEU A 61 5.314 -0.460 -10.734 1.00 23.44 H new ATOM 0 HD23 LEU A 61 5.707 1.044 -9.868 1.00 23.44 H new ATOM 976 N GLY A 62 4.638 4.222 -13.976 1.00 11.04 N ATOM 977 CA GLY A 62 5.070 4.671 -15.287 1.00 34.41 C ATOM 978 C GLY A 62 6.236 5.636 -15.215 1.00 60.43 C ATOM 979 O GLY A 62 7.071 5.679 -16.119 1.00 65.21 O ATOM 0 H GLY A 62 3.742 4.599 -13.668 1.00 11.04 H new ATOM 0 HA2 GLY A 62 5.354 3.807 -15.888 1.00 34.41 H new ATOM 0 HA3 GLY A 62 4.235 5.153 -15.796 1.00 34.41 H new ATOM 983 N GLN A 63 6.293 6.413 -14.139 1.00 53.43 N ATOM 984 CA GLN A 63 7.365 7.385 -13.953 1.00 23.33 C ATOM 985 C GLN A 63 8.668 6.691 -13.570 1.00 12.22 C ATOM 986 O GLN A 63 9.723 6.966 -14.144 1.00 3.43 O ATOM 987 CB GLN A 63 6.980 8.402 -12.878 1.00 1.42 C ATOM 988 CG GLN A 63 8.143 9.261 -12.410 1.00 50.42 C ATOM 989 CD GLN A 63 7.703 10.391 -11.499 1.00 34.33 C ATOM 990 OE1 GLN A 63 7.655 11.551 -11.909 1.00 5.33 O ATOM 991 NE2 GLN A 63 7.381 10.058 -10.255 1.00 14.30 N ATOM 0 H GLN A 63 5.610 6.389 -13.382 1.00 53.43 H new ATOM 0 HA GLN A 63 7.516 7.907 -14.898 1.00 23.33 H new ATOM 0 HB2 GLN A 63 6.194 9.050 -13.267 1.00 1.42 H new ATOM 0 HB3 GLN A 63 6.562 7.873 -12.022 1.00 1.42 H new ATOM 0 HG2 GLN A 63 8.864 8.635 -11.884 1.00 50.42 H new ATOM 0 HG3 GLN A 63 8.655 9.677 -13.278 1.00 50.42 H new ATOM 0 HE21 GLN A 63 7.435 9.084 -9.958 1.00 14.30 H new ATOM 0 HE22 GLN A 63 7.079 10.776 -9.597 1.00 14.30 H new ATOM 1000 N LEU A 64 8.589 5.790 -12.597 1.00 13.25 N ATOM 1001 CA LEU A 64 9.763 5.056 -12.136 1.00 10.44 C ATOM 1002 C LEU A 64 10.158 3.977 -13.139 1.00 70.42 C ATOM 1003 O LEU A 64 11.310 3.548 -13.181 1.00 14.13 O ATOM 1004 CB LEU A 64 9.490 4.425 -10.770 1.00 73.10 C ATOM 1005 CG LEU A 64 8.780 5.315 -9.750 1.00 54.44 C ATOM 1006 CD1 LEU A 64 8.495 4.540 -8.473 1.00 51.03 C ATOM 1007 CD2 LEU A 64 9.615 6.552 -9.449 1.00 0.22 C ATOM 0 H LEU A 64 7.724 5.550 -12.112 1.00 13.25 H new ATOM 0 HA LEU A 64 10.590 5.761 -12.044 1.00 10.44 H new ATOM 0 HB2 LEU A 64 8.889 3.528 -10.920 1.00 73.10 H new ATOM 0 HB3 LEU A 64 10.441 4.105 -10.344 1.00 73.10 H new ATOM 0 HG LEU A 64 7.830 5.637 -10.176 1.00 54.44 H new ATOM 0 HD11 LEU A 64 7.989 5.189 -7.758 1.00 51.03 H new ATOM 0 HD12 LEU A 64 7.858 3.685 -8.701 1.00 51.03 H new ATOM 0 HD13 LEU A 64 9.433 4.189 -8.043 1.00 51.03 H new ATOM 0 HD21 LEU A 64 9.094 7.174 -8.721 1.00 0.22 H new ATOM 0 HD22 LEU A 64 10.580 6.249 -9.043 1.00 0.22 H new ATOM 0 HD23 LEU A 64 9.769 7.119 -10.367 1.00 0.22 H new ATOM 1019 N GLN A 65 9.194 3.543 -13.945 1.00 43.11 N ATOM 1020 CA GLN A 65 9.442 2.514 -14.948 1.00 63.24 C ATOM 1021 C GLN A 65 10.705 2.824 -15.745 1.00 65.00 C ATOM 1022 O GLN A 65 11.674 2.065 -15.738 1.00 33.03 O ATOM 1023 CB GLN A 65 8.245 2.393 -15.892 1.00 22.33 C ATOM 1024 CG GLN A 65 7.525 1.057 -15.793 1.00 10.34 C ATOM 1025 CD GLN A 65 6.877 0.646 -17.102 1.00 73.13 C ATOM 1026 OE1 GLN A 65 5.953 1.302 -17.583 1.00 43.13 O ATOM 1027 NE2 GLN A 65 7.360 -0.445 -17.684 1.00 60.13 N ATOM 0 H GLN A 65 8.234 3.888 -13.923 1.00 43.11 H new ATOM 0 HA GLN A 65 9.585 1.565 -14.431 1.00 63.24 H new ATOM 0 HB2 GLN A 65 7.539 3.194 -15.674 1.00 22.33 H new ATOM 0 HB3 GLN A 65 8.585 2.538 -16.917 1.00 22.33 H new ATOM 0 HG2 GLN A 65 8.234 0.288 -15.485 1.00 10.34 H new ATOM 0 HG3 GLN A 65 6.762 1.116 -15.017 1.00 10.34 H new ATOM 0 HE21 GLN A 65 8.127 -0.958 -17.249 1.00 60.13 H new ATOM 0 HE22 GLN A 65 6.964 -0.770 -18.566 1.00 60.13 H new ATOM 1036 N PRO A 66 10.695 3.966 -16.449 1.00 43.34 N ATOM 1037 CA PRO A 66 11.832 4.403 -17.264 1.00 42.41 C ATOM 1038 C PRO A 66 13.027 4.822 -16.415 1.00 12.04 C ATOM 1039 O PRO A 66 14.074 5.196 -16.943 1.00 53.14 O ATOM 1040 CB PRO A 66 11.275 5.604 -18.034 1.00 23.30 C ATOM 1041 CG PRO A 66 10.168 6.121 -17.181 1.00 55.00 C ATOM 1042 CD PRO A 66 9.573 4.919 -16.502 1.00 24.23 C ATOM 0 HA PRO A 66 12.205 3.604 -17.905 1.00 42.41 H new ATOM 0 HB2 PRO A 66 12.041 6.363 -18.191 1.00 23.30 H new ATOM 0 HB3 PRO A 66 10.912 5.309 -19.018 1.00 23.30 H new ATOM 0 HG2 PRO A 66 10.541 6.838 -16.449 1.00 55.00 H new ATOM 0 HG3 PRO A 66 9.421 6.639 -17.783 1.00 55.00 H new ATOM 0 HD2 PRO A 66 9.205 5.162 -15.505 1.00 24.23 H new ATOM 0 HD3 PRO A 66 8.730 4.516 -17.064 1.00 24.23 H new ATOM 1050 N SER A 67 12.863 4.756 -15.098 1.00 54.05 N ATOM 1051 CA SER A 67 13.929 5.132 -14.175 1.00 20.11 C ATOM 1052 C SER A 67 14.558 3.897 -13.540 1.00 74.34 C ATOM 1053 O SER A 67 15.622 3.974 -12.925 1.00 52.34 O ATOM 1054 CB SER A 67 13.385 6.059 -13.086 1.00 61.30 C ATOM 1055 OG SER A 67 12.684 7.154 -13.651 1.00 73.25 O ATOM 0 H SER A 67 12.003 4.446 -14.646 1.00 54.05 H new ATOM 0 HA SER A 67 14.697 5.659 -14.741 1.00 20.11 H new ATOM 0 HB2 SER A 67 12.721 5.500 -12.426 1.00 61.30 H new ATOM 0 HB3 SER A 67 14.208 6.427 -12.473 1.00 61.30 H new ATOM 0 HG SER A 67 11.733 6.929 -13.729 1.00 73.25 H new ATOM 1061 N LEU A 68 13.894 2.756 -13.694 1.00 43.43 N ATOM 1062 CA LEU A 68 14.387 1.502 -13.135 1.00 21.13 C ATOM 1063 C LEU A 68 15.777 1.177 -13.671 1.00 44.31 C ATOM 1064 O LEU A 68 16.540 0.445 -13.040 1.00 22.33 O ATOM 1065 CB LEU A 68 13.422 0.362 -13.462 1.00 23.50 C ATOM 1066 CG LEU A 68 12.101 0.357 -12.691 1.00 63.34 C ATOM 1067 CD1 LEU A 68 11.037 -0.412 -13.458 1.00 23.14 C ATOM 1068 CD2 LEU A 68 12.295 -0.238 -11.304 1.00 60.23 C ATOM 0 H LEU A 68 13.013 2.674 -14.201 1.00 43.43 H new ATOM 0 HA LEU A 68 14.453 1.615 -12.053 1.00 21.13 H new ATOM 0 HB2 LEU A 68 13.197 0.398 -14.528 1.00 23.50 H new ATOM 0 HB3 LEU A 68 13.932 -0.583 -13.276 1.00 23.50 H new ATOM 0 HG LEU A 68 11.765 1.388 -12.579 1.00 63.34 H new ATOM 0 HD11 LEU A 68 10.105 -0.404 -12.893 1.00 23.14 H new ATOM 0 HD12 LEU A 68 10.877 0.058 -14.429 1.00 23.14 H new ATOM 0 HD13 LEU A 68 11.365 -1.441 -13.603 1.00 23.14 H new ATOM 0 HD21 LEU A 68 11.345 -0.233 -10.770 1.00 60.23 H new ATOM 0 HD22 LEU A 68 12.655 -1.263 -11.395 1.00 60.23 H new ATOM 0 HD23 LEU A 68 13.024 0.355 -10.752 1.00 60.23 H new ATOM 1080 N GLN A 69 16.099 1.728 -14.837 1.00 74.42 N ATOM 1081 CA GLN A 69 17.399 1.496 -15.456 1.00 15.33 C ATOM 1082 C GLN A 69 18.530 1.913 -14.522 1.00 63.00 C ATOM 1083 O GLN A 69 19.487 1.166 -14.314 1.00 21.32 O ATOM 1084 CB GLN A 69 17.503 2.265 -16.775 1.00 23.54 C ATOM 1085 CG GLN A 69 18.849 2.110 -17.466 1.00 44.45 C ATOM 1086 CD GLN A 69 18.981 2.993 -18.691 1.00 23.21 C ATOM 1087 OE1 GLN A 69 18.475 4.114 -18.719 1.00 13.45 O ATOM 1088 NE2 GLN A 69 19.663 2.489 -19.713 1.00 24.11 N ATOM 0 H GLN A 69 15.479 2.337 -15.371 1.00 74.42 H new ATOM 0 HA GLN A 69 17.492 0.429 -15.656 1.00 15.33 H new ATOM 0 HB2 GLN A 69 16.717 1.923 -17.448 1.00 23.54 H new ATOM 0 HB3 GLN A 69 17.322 3.323 -16.584 1.00 23.54 H new ATOM 0 HG2 GLN A 69 19.645 2.351 -16.761 1.00 44.45 H new ATOM 0 HG3 GLN A 69 18.986 1.069 -17.757 1.00 44.45 H new ATOM 0 HE21 GLN A 69 20.066 1.554 -19.646 1.00 24.11 H new ATOM 0 HE22 GLN A 69 19.784 3.037 -20.565 1.00 24.11 H new ATOM 1097 N THR A 70 18.414 3.112 -13.958 1.00 32.12 N ATOM 1098 CA THR A 70 19.427 3.629 -13.047 1.00 51.24 C ATOM 1099 C THR A 70 18.790 4.195 -11.783 1.00 52.25 C ATOM 1100 O THR A 70 19.166 5.269 -11.315 1.00 5.10 O ATOM 1101 CB THR A 70 20.278 4.725 -13.715 1.00 22.14 C ATOM 1102 OG1 THR A 70 19.450 5.838 -14.073 1.00 70.13 O ATOM 1103 CG2 THR A 70 20.976 4.187 -14.955 1.00 1.12 C ATOM 0 H THR A 70 17.628 3.743 -14.117 1.00 32.12 H new ATOM 0 HA THR A 70 20.072 2.791 -12.783 1.00 51.24 H new ATOM 0 HB THR A 70 21.036 5.051 -13.003 1.00 22.14 H new ATOM 0 HG1 THR A 70 19.999 6.531 -14.496 1.00 70.13 H new ATOM 0 HG21 THR A 70 21.571 4.979 -15.410 1.00 1.12 H new ATOM 0 HG22 THR A 70 21.627 3.359 -14.675 1.00 1.12 H new ATOM 0 HG23 THR A 70 20.231 3.837 -15.669 1.00 1.12 H new ATOM 1111 N GLY A 71 17.825 3.465 -11.233 1.00 21.54 N ATOM 1112 CA GLY A 71 17.153 3.911 -10.027 1.00 50.44 C ATOM 1113 C GLY A 71 17.840 3.426 -8.767 1.00 63.55 C ATOM 1114 O GLY A 71 18.027 2.223 -8.578 1.00 52.05 O ATOM 0 H GLY A 71 17.497 2.572 -11.601 1.00 21.54 H new ATOM 0 HA2 GLY A 71 17.113 5.000 -10.019 1.00 50.44 H new ATOM 0 HA3 GLY A 71 16.123 3.554 -10.036 1.00 50.44 H new ATOM 1118 N SER A 72 18.218 4.361 -7.902 1.00 1.12 N ATOM 1119 CA SER A 72 18.894 4.022 -6.655 1.00 41.22 C ATOM 1120 C SER A 72 18.054 3.053 -5.828 1.00 32.54 C ATOM 1121 O SER A 72 16.949 2.681 -6.222 1.00 30.44 O ATOM 1122 CB SER A 72 19.178 5.288 -5.844 1.00 70.15 C ATOM 1123 OG SER A 72 18.023 6.102 -5.747 1.00 11.23 O ATOM 0 H SER A 72 18.068 5.360 -8.042 1.00 1.12 H new ATOM 0 HA SER A 72 19.839 3.538 -6.902 1.00 41.22 H new ATOM 0 HB2 SER A 72 19.519 5.015 -4.845 1.00 70.15 H new ATOM 0 HB3 SER A 72 19.985 5.851 -6.313 1.00 70.15 H new ATOM 0 HG SER A 72 18.231 6.903 -5.223 1.00 11.23 H new ATOM 1129 N GLU A 73 18.587 2.648 -4.680 1.00 42.31 N ATOM 1130 CA GLU A 73 17.887 1.721 -3.797 1.00 13.45 C ATOM 1131 C GLU A 73 16.483 2.227 -3.481 1.00 10.24 C ATOM 1132 O GLU A 73 15.570 1.439 -3.236 1.00 42.43 O ATOM 1133 CB GLU A 73 18.674 1.525 -2.500 1.00 13.34 C ATOM 1134 CG GLU A 73 20.121 1.118 -2.721 1.00 0.10 C ATOM 1135 CD GLU A 73 20.833 0.767 -1.429 1.00 51.40 C ATOM 1136 OE1 GLU A 73 20.142 0.477 -0.430 1.00 0.02 O ATOM 1137 OE2 GLU A 73 22.082 0.784 -1.418 1.00 42.14 O ATOM 0 H GLU A 73 19.501 2.947 -4.339 1.00 42.31 H new ATOM 0 HA GLU A 73 17.803 0.763 -4.311 1.00 13.45 H new ATOM 0 HB2 GLU A 73 18.650 2.452 -1.927 1.00 13.34 H new ATOM 0 HB3 GLU A 73 18.180 0.764 -1.897 1.00 13.34 H new ATOM 0 HG2 GLU A 73 20.155 0.261 -3.394 1.00 0.10 H new ATOM 0 HG3 GLU A 73 20.652 1.932 -3.214 1.00 0.10 H new ATOM 1144 N GLU A 74 16.319 3.546 -3.490 1.00 11.12 N ATOM 1145 CA GLU A 74 15.026 4.156 -3.203 1.00 32.12 C ATOM 1146 C GLU A 74 14.022 3.852 -4.312 1.00 62.50 C ATOM 1147 O GLU A 74 12.916 3.377 -4.051 1.00 24.11 O ATOM 1148 CB GLU A 74 15.177 5.670 -3.040 1.00 42.25 C ATOM 1149 CG GLU A 74 15.877 6.076 -1.754 1.00 55.15 C ATOM 1150 CD GLU A 74 16.058 7.577 -1.637 1.00 20.00 C ATOM 1151 OE1 GLU A 74 15.040 8.288 -1.508 1.00 10.31 O ATOM 1152 OE2 GLU A 74 17.217 8.040 -1.675 1.00 41.43 O ATOM 0 H GLU A 74 17.064 4.212 -3.693 1.00 11.12 H new ATOM 0 HA GLU A 74 14.652 3.732 -2.271 1.00 32.12 H new ATOM 0 HB2 GLU A 74 15.736 6.064 -3.888 1.00 42.25 H new ATOM 0 HB3 GLU A 74 14.189 6.130 -3.067 1.00 42.25 H new ATOM 0 HG2 GLU A 74 15.301 5.716 -0.902 1.00 55.15 H new ATOM 0 HG3 GLU A 74 16.852 5.591 -1.707 1.00 55.15 H new ATOM 1159 N LEU A 75 14.416 4.127 -5.550 1.00 2.34 N ATOM 1160 CA LEU A 75 13.552 3.884 -6.701 1.00 70.33 C ATOM 1161 C LEU A 75 13.277 2.393 -6.869 1.00 52.11 C ATOM 1162 O LEU A 75 12.191 1.995 -7.289 1.00 4.25 O ATOM 1163 CB LEU A 75 14.192 4.444 -7.972 1.00 30.31 C ATOM 1164 CG LEU A 75 13.239 4.730 -9.133 1.00 22.25 C ATOM 1165 CD1 LEU A 75 13.663 5.988 -9.874 1.00 11.32 C ATOM 1166 CD2 LEU A 75 13.185 3.542 -10.083 1.00 33.12 C ATOM 0 H LEU A 75 15.328 4.519 -5.783 1.00 2.34 H new ATOM 0 HA LEU A 75 12.604 4.392 -6.527 1.00 70.33 H new ATOM 0 HB2 LEU A 75 14.710 5.369 -7.717 1.00 30.31 H new ATOM 0 HB3 LEU A 75 14.949 3.739 -8.315 1.00 30.31 H new ATOM 0 HG LEU A 75 12.240 4.891 -8.727 1.00 22.25 H new ATOM 0 HD11 LEU A 75 12.973 6.176 -10.697 1.00 11.32 H new ATOM 0 HD12 LEU A 75 13.650 6.836 -9.189 1.00 11.32 H new ATOM 0 HD13 LEU A 75 14.671 5.856 -10.268 1.00 11.32 H new ATOM 0 HD21 LEU A 75 12.502 3.763 -10.903 1.00 33.12 H new ATOM 0 HD22 LEU A 75 14.181 3.350 -10.482 1.00 33.12 H new ATOM 0 HD23 LEU A 75 12.833 2.662 -9.545 1.00 33.12 H new ATOM 1178 N ARG A 76 14.269 1.573 -6.536 1.00 4.24 N ATOM 1179 CA ARG A 76 14.134 0.125 -6.650 1.00 14.43 C ATOM 1180 C ARG A 76 13.221 -0.422 -5.558 1.00 63.45 C ATOM 1181 O ARG A 76 12.347 -1.248 -5.821 1.00 72.42 O ATOM 1182 CB ARG A 76 15.507 -0.544 -6.566 1.00 10.42 C ATOM 1183 CG ARG A 76 16.147 -0.790 -7.923 1.00 75.34 C ATOM 1184 CD ARG A 76 16.331 -2.275 -8.191 1.00 24.42 C ATOM 1185 NE ARG A 76 16.706 -2.540 -9.577 1.00 1.42 N ATOM 1186 CZ ARG A 76 17.165 -3.710 -10.004 1.00 12.13 C ATOM 1187 NH1 ARG A 76 17.307 -4.719 -9.157 1.00 31.54 N ATOM 1188 NH2 ARG A 76 17.485 -3.872 -11.282 1.00 63.42 N ATOM 0 H ARG A 76 15.174 1.886 -6.185 1.00 4.24 H new ATOM 0 HA ARG A 76 13.687 -0.099 -7.619 1.00 14.43 H new ATOM 0 HB2 ARG A 76 16.171 0.081 -5.968 1.00 10.42 H new ATOM 0 HB3 ARG A 76 15.407 -1.495 -6.043 1.00 10.42 H new ATOM 0 HG2 ARG A 76 15.525 -0.352 -8.704 1.00 75.34 H new ATOM 0 HG3 ARG A 76 17.114 -0.289 -7.967 1.00 75.34 H new ATOM 0 HD2 ARG A 76 17.099 -2.671 -7.526 1.00 24.42 H new ATOM 0 HD3 ARG A 76 15.406 -2.802 -7.959 1.00 24.42 H new ATOM 0 HE ARG A 76 16.610 -1.784 -10.255 1.00 1.42 H new ATOM 0 HH11 ARG A 76 17.063 -4.598 -8.174 1.00 31.54 H new ATOM 0 HH12 ARG A 76 17.660 -5.617 -9.488 1.00 31.54 H new ATOM 0 HH21 ARG A 76 17.378 -3.097 -11.937 1.00 63.42 H new ATOM 0 HH22 ARG A 76 17.838 -4.771 -11.609 1.00 63.42 H new ATOM 1202 N SER A 77 13.431 0.042 -4.330 1.00 72.41 N ATOM 1203 CA SER A 77 12.631 -0.406 -3.196 1.00 11.40 C ATOM 1204 C SER A 77 11.181 0.044 -3.344 1.00 23.53 C ATOM 1205 O SER A 77 10.260 -0.616 -2.858 1.00 53.02 O ATOM 1206 CB SER A 77 13.213 0.135 -1.889 1.00 62.13 C ATOM 1207 OG SER A 77 14.282 -0.674 -1.432 1.00 21.21 O ATOM 0 H SER A 77 14.148 0.728 -4.095 1.00 72.41 H new ATOM 0 HA SER A 77 12.655 -1.495 -3.173 1.00 11.40 H new ATOM 0 HB2 SER A 77 13.564 1.156 -2.039 1.00 62.13 H new ATOM 0 HB3 SER A 77 12.433 0.175 -1.129 1.00 62.13 H new ATOM 0 HG SER A 77 15.123 -0.356 -1.823 1.00 21.21 H new ATOM 1213 N LEU A 78 10.982 1.170 -4.020 1.00 73.40 N ATOM 1214 CA LEU A 78 9.644 1.709 -4.234 1.00 32.34 C ATOM 1215 C LEU A 78 8.849 0.828 -5.193 1.00 62.12 C ATOM 1216 O LEU A 78 7.765 0.350 -4.858 1.00 50.14 O ATOM 1217 CB LEU A 78 9.729 3.134 -4.785 1.00 23.30 C ATOM 1218 CG LEU A 78 9.428 4.256 -3.791 1.00 51.23 C ATOM 1219 CD1 LEU A 78 8.060 4.056 -3.158 1.00 62.11 C ATOM 1220 CD2 LEU A 78 10.508 4.324 -2.721 1.00 73.13 C ATOM 0 H LEU A 78 11.731 1.728 -4.430 1.00 73.40 H new ATOM 0 HA LEU A 78 9.128 1.727 -3.274 1.00 32.34 H new ATOM 0 HB2 LEU A 78 10.731 3.289 -5.184 1.00 23.30 H new ATOM 0 HB3 LEU A 78 9.036 3.221 -5.621 1.00 23.30 H new ATOM 0 HG LEU A 78 9.420 5.202 -4.332 1.00 51.23 H new ATOM 0 HD11 LEU A 78 7.863 4.864 -2.454 1.00 62.11 H new ATOM 0 HD12 LEU A 78 7.296 4.058 -3.935 1.00 62.11 H new ATOM 0 HD13 LEU A 78 8.039 3.102 -2.631 1.00 62.11 H new ATOM 0 HD21 LEU A 78 10.278 5.128 -2.022 1.00 73.13 H new ATOM 0 HD22 LEU A 78 10.548 3.377 -2.184 1.00 73.13 H new ATOM 0 HD23 LEU A 78 11.473 4.516 -3.190 1.00 73.13 H new ATOM 1232 N TYR A 79 9.396 0.615 -6.384 1.00 13.53 N ATOM 1233 CA TYR A 79 8.738 -0.208 -7.392 1.00 72.23 C ATOM 1234 C TYR A 79 8.323 -1.555 -6.808 1.00 63.44 C ATOM 1235 O TYR A 79 7.228 -2.048 -7.073 1.00 31.32 O ATOM 1236 CB TYR A 79 9.664 -0.423 -8.590 1.00 43.02 C ATOM 1237 CG TYR A 79 8.936 -0.490 -9.913 1.00 22.33 C ATOM 1238 CD1 TYR A 79 8.344 0.641 -10.461 1.00 35.24 C ATOM 1239 CD2 TYR A 79 8.839 -1.685 -10.615 1.00 42.11 C ATOM 1240 CE1 TYR A 79 7.677 0.584 -11.670 1.00 15.24 C ATOM 1241 CE2 TYR A 79 8.175 -1.751 -11.825 1.00 73.44 C ATOM 1242 CZ TYR A 79 7.596 -0.614 -12.348 1.00 31.42 C ATOM 1243 OH TYR A 79 6.933 -0.676 -13.553 1.00 74.22 O ATOM 0 H TYR A 79 10.294 1.001 -6.676 1.00 13.53 H new ATOM 0 HA TYR A 79 7.842 0.316 -7.724 1.00 72.23 H new ATOM 0 HB2 TYR A 79 10.392 0.387 -8.626 1.00 43.02 H new ATOM 0 HB3 TYR A 79 10.223 -1.347 -8.445 1.00 43.02 H new ATOM 0 HD1 TYR A 79 8.406 1.581 -9.933 1.00 35.24 H new ATOM 0 HD2 TYR A 79 9.290 -2.578 -10.208 1.00 42.11 H new ATOM 0 HE1 TYR A 79 7.222 1.473 -12.081 1.00 15.24 H new ATOM 0 HE2 TYR A 79 8.110 -2.688 -12.358 1.00 73.44 H new ATOM 0 HH TYR A 79 6.969 -1.592 -13.900 1.00 74.22 H new ATOM 1253 N ASN A 80 9.208 -2.144 -6.010 1.00 64.32 N ATOM 1254 CA ASN A 80 8.934 -3.434 -5.386 1.00 32.55 C ATOM 1255 C ASN A 80 7.701 -3.357 -4.493 1.00 45.14 C ATOM 1256 O ASN A 80 6.947 -4.323 -4.368 1.00 52.25 O ATOM 1257 CB ASN A 80 10.143 -3.896 -4.569 1.00 11.35 C ATOM 1258 CG ASN A 80 11.214 -4.535 -5.431 1.00 15.23 C ATOM 1259 OD1 ASN A 80 11.711 -5.617 -5.122 1.00 34.22 O ATOM 1260 ND2 ASN A 80 11.576 -3.865 -6.519 1.00 3.53 N ATOM 0 H ASN A 80 10.120 -1.749 -5.780 1.00 64.32 H new ATOM 0 HA ASN A 80 8.741 -4.158 -6.178 1.00 32.55 H new ATOM 0 HB2 ASN A 80 10.568 -3.043 -4.040 1.00 11.35 H new ATOM 0 HB3 ASN A 80 9.816 -4.610 -3.813 1.00 11.35 H new ATOM 0 HD21 ASN A 80 12.293 -4.245 -7.137 1.00 3.53 H new ATOM 0 HD22 ASN A 80 11.137 -2.970 -6.737 1.00 3.53 H new ATOM 1267 N THR A 81 7.499 -2.199 -3.871 1.00 72.24 N ATOM 1268 CA THR A 81 6.359 -1.994 -2.986 1.00 31.34 C ATOM 1269 C THR A 81 5.112 -1.613 -3.777 1.00 15.13 C ATOM 1270 O THR A 81 4.101 -2.313 -3.736 1.00 60.25 O ATOM 1271 CB THR A 81 6.646 -0.899 -1.943 1.00 11.43 C ATOM 1272 OG1 THR A 81 7.871 -1.182 -1.260 1.00 53.04 O ATOM 1273 CG2 THR A 81 5.509 -0.798 -0.936 1.00 33.44 C ATOM 0 H THR A 81 8.111 -1.388 -3.964 1.00 72.24 H new ATOM 0 HA THR A 81 6.185 -2.938 -2.470 1.00 31.34 H new ATOM 0 HB THR A 81 6.733 0.054 -2.465 1.00 11.43 H new ATOM 0 HG1 THR A 81 8.628 -0.959 -1.841 1.00 53.04 H new ATOM 0 HG21 THR A 81 5.735 -0.018 -0.209 1.00 33.44 H new ATOM 0 HG22 THR A 81 4.583 -0.553 -1.456 1.00 33.44 H new ATOM 0 HG23 THR A 81 5.394 -1.751 -0.420 1.00 33.44 H new ATOM 1281 N ILE A 82 5.192 -0.499 -4.498 1.00 74.12 N ATOM 1282 CA ILE A 82 4.071 -0.026 -5.300 1.00 14.10 C ATOM 1283 C ILE A 82 3.501 -1.147 -6.163 1.00 32.13 C ATOM 1284 O ILE A 82 2.285 -1.314 -6.258 1.00 32.43 O ATOM 1285 CB ILE A 82 4.483 1.146 -6.209 1.00 13.23 C ATOM 1286 CG1 ILE A 82 5.018 2.308 -5.368 1.00 5.13 C ATOM 1287 CG2 ILE A 82 3.305 1.599 -7.058 1.00 72.52 C ATOM 1288 CD1 ILE A 82 6.202 3.012 -5.993 1.00 34.33 C ATOM 0 H ILE A 82 6.022 0.092 -4.543 1.00 74.12 H new ATOM 0 HA ILE A 82 3.307 0.317 -4.602 1.00 14.10 H new ATOM 0 HB ILE A 82 5.276 0.808 -6.875 1.00 13.23 H new ATOM 0 HG12 ILE A 82 4.217 3.031 -5.211 1.00 5.13 H new ATOM 0 HG13 ILE A 82 5.306 1.933 -4.386 1.00 5.13 H new ATOM 0 HG21 ILE A 82 3.613 2.428 -7.695 1.00 72.52 H new ATOM 0 HG22 ILE A 82 2.965 0.771 -7.680 1.00 72.52 H new ATOM 0 HG23 ILE A 82 2.492 1.923 -6.409 1.00 72.52 H new ATOM 0 HD11 ILE A 82 6.528 3.824 -5.342 1.00 34.33 H new ATOM 0 HD12 ILE A 82 7.019 2.303 -6.125 1.00 34.33 H new ATOM 0 HD13 ILE A 82 5.914 3.418 -6.963 1.00 34.33 H new ATOM 1300 N ALA A 83 4.388 -1.914 -6.789 1.00 42.10 N ATOM 1301 CA ALA A 83 3.973 -3.022 -7.641 1.00 54.45 C ATOM 1302 C ALA A 83 3.012 -3.949 -6.906 1.00 4.01 C ATOM 1303 O ALA A 83 1.920 -4.243 -7.396 1.00 52.35 O ATOM 1304 CB ALA A 83 5.189 -3.797 -8.127 1.00 53.14 C ATOM 0 H ALA A 83 5.398 -1.788 -6.722 1.00 42.10 H new ATOM 0 HA ALA A 83 3.450 -2.609 -8.504 1.00 54.45 H new ATOM 0 HB1 ALA A 83 4.865 -4.622 -8.762 1.00 53.14 H new ATOM 0 HB2 ALA A 83 5.839 -3.134 -8.697 1.00 53.14 H new ATOM 0 HB3 ALA A 83 5.735 -4.192 -7.270 1.00 53.14 H new ATOM 1310 N VAL A 84 3.423 -4.409 -5.729 1.00 50.04 N ATOM 1311 CA VAL A 84 2.597 -5.304 -4.925 1.00 11.42 C ATOM 1312 C VAL A 84 1.198 -4.732 -4.730 1.00 4.42 C ATOM 1313 O VAL A 84 0.210 -5.468 -4.715 1.00 14.01 O ATOM 1314 CB VAL A 84 3.230 -5.565 -3.546 1.00 41.12 C ATOM 1315 CG1 VAL A 84 2.317 -6.435 -2.696 1.00 13.33 C ATOM 1316 CG2 VAL A 84 4.600 -6.208 -3.702 1.00 3.43 C ATOM 0 H VAL A 84 4.324 -4.177 -5.310 1.00 50.04 H new ATOM 0 HA VAL A 84 2.529 -6.246 -5.469 1.00 11.42 H new ATOM 0 HB VAL A 84 3.359 -4.610 -3.037 1.00 41.12 H new ATOM 0 HG11 VAL A 84 2.781 -6.609 -1.725 1.00 13.33 H new ATOM 0 HG12 VAL A 84 1.361 -5.931 -2.556 1.00 13.33 H new ATOM 0 HG13 VAL A 84 2.154 -7.389 -3.197 1.00 13.33 H new ATOM 0 HG21 VAL A 84 5.033 -6.385 -2.718 1.00 3.43 H new ATOM 0 HG22 VAL A 84 4.499 -7.156 -4.230 1.00 3.43 H new ATOM 0 HG23 VAL A 84 5.251 -5.544 -4.270 1.00 3.43 H new ATOM 1326 N LEU A 85 1.118 -3.413 -4.582 1.00 22.44 N ATOM 1327 CA LEU A 85 -0.162 -2.741 -4.388 1.00 61.11 C ATOM 1328 C LEU A 85 -0.978 -2.741 -5.677 1.00 33.51 C ATOM 1329 O LEU A 85 -2.141 -3.144 -5.686 1.00 21.31 O ATOM 1330 CB LEU A 85 0.062 -1.304 -3.913 1.00 42.31 C ATOM 1331 CG LEU A 85 -1.164 -0.391 -3.937 1.00 43.11 C ATOM 1332 CD1 LEU A 85 -2.270 -0.958 -3.059 1.00 30.34 C ATOM 1333 CD2 LEU A 85 -0.792 1.014 -3.487 1.00 40.43 C ATOM 0 H LEU A 85 1.925 -2.789 -4.593 1.00 22.44 H new ATOM 0 HA LEU A 85 -0.720 -3.287 -3.627 1.00 61.11 H new ATOM 0 HB2 LEU A 85 0.447 -1.335 -2.894 1.00 42.31 H new ATOM 0 HB3 LEU A 85 0.837 -0.854 -4.533 1.00 42.31 H new ATOM 0 HG LEU A 85 -1.533 -0.338 -4.961 1.00 43.11 H new ATOM 0 HD11 LEU A 85 -3.134 -0.295 -3.089 1.00 30.34 H new ATOM 0 HD12 LEU A 85 -2.556 -1.944 -3.426 1.00 30.34 H new ATOM 0 HD13 LEU A 85 -1.913 -1.042 -2.033 1.00 30.34 H new ATOM 0 HD21 LEU A 85 -1.677 1.650 -3.510 1.00 40.43 H new ATOM 0 HD22 LEU A 85 -0.398 0.978 -2.471 1.00 40.43 H new ATOM 0 HD23 LEU A 85 -0.034 1.422 -4.156 1.00 40.43 H new ATOM 1345 N TYR A 86 -0.360 -2.291 -6.762 1.00 10.51 N ATOM 1346 CA TYR A 86 -1.029 -2.238 -8.057 1.00 74.30 C ATOM 1347 C TYR A 86 -1.686 -3.576 -8.384 1.00 11.10 C ATOM 1348 O TYR A 86 -2.890 -3.644 -8.633 1.00 4.14 O ATOM 1349 CB TYR A 86 -0.031 -1.864 -9.156 1.00 64.55 C ATOM 1350 CG TYR A 86 -0.651 -1.780 -10.532 1.00 11.51 C ATOM 1351 CD1 TYR A 86 -1.568 -0.783 -10.843 1.00 43.41 C ATOM 1352 CD2 TYR A 86 -0.319 -2.696 -11.523 1.00 74.03 C ATOM 1353 CE1 TYR A 86 -2.137 -0.702 -12.099 1.00 31.31 C ATOM 1354 CE2 TYR A 86 -0.882 -2.622 -12.781 1.00 13.45 C ATOM 1355 CZ TYR A 86 -1.791 -1.624 -13.065 1.00 12.33 C ATOM 1356 OH TYR A 86 -2.354 -1.546 -14.318 1.00 3.43 O ATOM 0 H TYR A 86 0.604 -1.957 -6.771 1.00 10.51 H new ATOM 0 HA TYR A 86 -1.805 -1.475 -8.006 1.00 74.30 H new ATOM 0 HB2 TYR A 86 0.423 -0.904 -8.912 1.00 64.55 H new ATOM 0 HB3 TYR A 86 0.772 -2.601 -9.173 1.00 64.55 H new ATOM 0 HD1 TYR A 86 -1.840 -0.059 -10.089 1.00 43.41 H new ATOM 0 HD2 TYR A 86 0.392 -3.479 -11.305 1.00 74.03 H new ATOM 0 HE1 TYR A 86 -2.849 0.079 -12.323 1.00 31.31 H new ATOM 0 HE2 TYR A 86 -0.612 -3.342 -13.539 1.00 13.45 H new ATOM 0 HH TYR A 86 -2.003 -2.268 -14.880 1.00 3.43 H new ATOM 1366 N CYS A 87 -0.887 -4.636 -8.381 1.00 53.11 N ATOM 1367 CA CYS A 87 -1.389 -5.973 -8.677 1.00 24.13 C ATOM 1368 C CYS A 87 -2.597 -6.306 -7.808 1.00 1.11 C ATOM 1369 O CYS A 87 -3.605 -6.816 -8.296 1.00 62.10 O ATOM 1370 CB CYS A 87 -0.289 -7.013 -8.462 1.00 20.25 C ATOM 1371 SG CYS A 87 0.968 -7.038 -9.762 1.00 24.42 S ATOM 0 H CYS A 87 0.112 -4.596 -8.177 1.00 53.11 H new ATOM 0 HA CYS A 87 -1.699 -5.994 -9.722 1.00 24.13 H new ATOM 0 HB2 CYS A 87 0.197 -6.820 -7.506 1.00 20.25 H new ATOM 0 HB3 CYS A 87 -0.746 -8.000 -8.394 1.00 20.25 H new ATOM 0 HG CYS A 87 2.095 -7.457 -9.268 1.00 24.42 H new ATOM 1377 N VAL A 88 -2.487 -6.015 -6.516 1.00 41.05 N ATOM 1378 CA VAL A 88 -3.569 -6.284 -5.576 1.00 4.44 C ATOM 1379 C VAL A 88 -4.847 -5.560 -5.989 1.00 31.45 C ATOM 1380 O VAL A 88 -5.917 -6.166 -6.072 1.00 32.10 O ATOM 1381 CB VAL A 88 -3.191 -5.855 -4.146 1.00 65.23 C ATOM 1382 CG1 VAL A 88 -4.438 -5.533 -3.337 1.00 30.14 C ATOM 1383 CG2 VAL A 88 -2.370 -6.941 -3.465 1.00 23.13 C ATOM 0 H VAL A 88 -1.659 -5.593 -6.096 1.00 41.05 H new ATOM 0 HA VAL A 88 -3.741 -7.360 -5.591 1.00 4.44 H new ATOM 0 HB VAL A 88 -2.583 -4.953 -4.205 1.00 65.23 H new ATOM 0 HG11 VAL A 88 -4.150 -5.232 -2.330 1.00 30.14 H new ATOM 0 HG12 VAL A 88 -4.983 -4.720 -3.817 1.00 30.14 H new ATOM 0 HG13 VAL A 88 -5.075 -6.416 -3.284 1.00 30.14 H new ATOM 0 HG21 VAL A 88 -2.111 -6.622 -2.455 1.00 23.13 H new ATOM 0 HG22 VAL A 88 -2.952 -7.861 -3.417 1.00 23.13 H new ATOM 0 HG23 VAL A 88 -1.458 -7.119 -4.035 1.00 23.13 H new ATOM 1393 N HIS A 89 -4.728 -4.263 -6.249 1.00 4.24 N ATOM 1394 CA HIS A 89 -5.874 -3.455 -6.657 1.00 63.35 C ATOM 1395 C HIS A 89 -6.541 -4.047 -7.895 1.00 4.52 C ATOM 1396 O HIS A 89 -7.771 -4.046 -7.928 1.00 62.41 O ATOM 1397 CB HIS A 89 -5.439 -2.016 -6.935 1.00 72.33 C ATOM 1398 CG HIS A 89 -5.346 -1.170 -5.702 1.00 23.24 C ATOM 1399 ND1 HIS A 89 -6.148 -1.360 -4.597 1.00 73.22 N ATOM 1400 CD2 HIS A 89 -4.540 -0.125 -5.405 1.00 12.22 C ATOM 1401 CE1 HIS A 89 -5.837 -0.467 -3.673 1.00 62.12 C ATOM 1402 NE2 HIS A 89 -4.864 0.293 -4.139 1.00 11.32 N ATOM 0 H HIS A 89 -3.850 -3.747 -6.185 1.00 4.24 H new ATOM 0 HA HIS A 89 -6.597 -3.455 -5.841 1.00 63.35 H new ATOM 0 HB2 HIS A 89 -4.469 -2.028 -7.432 1.00 72.33 H new ATOM 0 HB3 HIS A 89 -6.146 -1.559 -7.627 1.00 72.33 H new ATOM 0 HD2 HIS A 89 -3.782 0.301 -6.046 1.00 12.22 H new ATOM 0 HE1 HIS A 89 -6.300 -0.375 -2.702 1.00 62.12 H new ATOM 0 HE2 HIS A 89 -4.424 1.066 -3.639 1.00 11.32 H new ATOM 1411 N GLN A 90 -5.790 -4.531 -8.878 1.00 61.42 N ATOM 1412 CA GLN A 90 -6.383 -5.105 -10.080 1.00 10.34 C ATOM 1413 C GLN A 90 -6.892 -6.518 -9.816 1.00 41.33 C ATOM 1414 O GLN A 90 -7.249 -7.243 -10.744 1.00 22.14 O ATOM 1415 CB GLN A 90 -5.362 -5.123 -11.220 1.00 54.52 C ATOM 1416 CG GLN A 90 -5.308 -3.825 -12.008 1.00 53.23 C ATOM 1417 CD GLN A 90 -6.660 -3.419 -12.559 1.00 11.14 C ATOM 1418 OE1 GLN A 90 -7.554 -4.252 -12.718 1.00 33.20 O ATOM 1419 NE2 GLN A 90 -6.818 -2.135 -12.857 1.00 73.03 N ATOM 0 H GLN A 90 -4.770 -4.537 -8.866 1.00 61.42 H new ATOM 0 HA GLN A 90 -7.229 -4.482 -10.369 1.00 10.34 H new ATOM 0 HB2 GLN A 90 -4.374 -5.330 -10.809 1.00 54.52 H new ATOM 0 HB3 GLN A 90 -5.602 -5.941 -11.899 1.00 54.52 H new ATOM 0 HG2 GLN A 90 -4.928 -3.030 -11.366 1.00 53.23 H new ATOM 0 HG3 GLN A 90 -4.602 -3.934 -12.832 1.00 53.23 H new ATOM 0 HE21 GLN A 90 -6.051 -1.479 -12.709 1.00 73.03 H new ATOM 0 HE22 GLN A 90 -7.706 -1.804 -13.233 1.00 73.03 H new ATOM 1428 N ARG A 91 -6.922 -6.902 -8.544 1.00 63.53 N ATOM 1429 CA ARG A 91 -7.386 -8.229 -8.158 1.00 63.53 C ATOM 1430 C ARG A 91 -6.354 -9.293 -8.521 1.00 15.03 C ATOM 1431 O ARG A 91 -6.605 -10.490 -8.377 1.00 22.33 O ATOM 1432 CB ARG A 91 -8.720 -8.545 -8.837 1.00 2.01 C ATOM 1433 CG ARG A 91 -9.752 -9.151 -7.900 1.00 35.12 C ATOM 1434 CD ARG A 91 -10.766 -8.115 -7.442 1.00 11.44 C ATOM 1435 NE ARG A 91 -11.371 -8.470 -6.161 1.00 3.04 N ATOM 1436 CZ ARG A 91 -12.268 -9.438 -6.017 1.00 65.53 C ATOM 1437 NH1 ARG A 91 -12.663 -10.144 -7.067 1.00 14.01 N ATOM 1438 NH2 ARG A 91 -12.774 -9.702 -4.818 1.00 2.03 N ATOM 0 H ARG A 91 -6.631 -6.313 -7.764 1.00 63.53 H new ATOM 0 HA ARG A 91 -7.526 -8.236 -7.077 1.00 63.53 H new ATOM 0 HB2 ARG A 91 -9.125 -7.629 -9.267 1.00 2.01 H new ATOM 0 HB3 ARG A 91 -8.543 -9.234 -9.663 1.00 2.01 H new ATOM 0 HG2 ARG A 91 -10.268 -9.968 -8.405 1.00 35.12 H new ATOM 0 HG3 ARG A 91 -9.250 -9.579 -7.032 1.00 35.12 H new ATOM 0 HD2 ARG A 91 -10.278 -7.144 -7.356 1.00 11.44 H new ATOM 0 HD3 ARG A 91 -11.547 -8.014 -8.196 1.00 11.44 H new ATOM 0 HE ARG A 91 -11.089 -7.946 -5.332 1.00 3.04 H new ATOM 0 HH11 ARG A 91 -12.278 -9.944 -7.990 1.00 14.01 H new ATOM 0 HH12 ARG A 91 -13.352 -10.887 -6.952 1.00 14.01 H new ATOM 0 HH21 ARG A 91 -12.474 -9.161 -4.007 1.00 2.03 H new ATOM 0 HH22 ARG A 91 -13.463 -10.446 -4.708 1.00 2.03 H new ATOM 1452 N ILE A 92 -5.194 -8.848 -8.993 1.00 52.14 N ATOM 1453 CA ILE A 92 -4.124 -9.762 -9.376 1.00 5.50 C ATOM 1454 C ILE A 92 -3.464 -10.380 -8.148 1.00 31.32 C ATOM 1455 O ILE A 92 -2.824 -9.686 -7.359 1.00 13.23 O ATOM 1456 CB ILE A 92 -3.051 -9.049 -10.219 1.00 30.15 C ATOM 1457 CG1 ILE A 92 -3.705 -8.249 -11.347 1.00 70.02 C ATOM 1458 CG2 ILE A 92 -2.063 -10.061 -10.783 1.00 4.22 C ATOM 1459 CD1 ILE A 92 -2.713 -7.505 -12.213 1.00 25.34 C ATOM 0 H ILE A 92 -4.971 -7.861 -9.119 1.00 52.14 H new ATOM 0 HA ILE A 92 -4.580 -10.550 -9.975 1.00 5.50 H new ATOM 0 HB ILE A 92 -2.506 -8.356 -9.577 1.00 30.15 H new ATOM 0 HG12 ILE A 92 -4.285 -8.927 -11.973 1.00 70.02 H new ATOM 0 HG13 ILE A 92 -4.406 -7.535 -10.916 1.00 70.02 H new ATOM 0 HG21 ILE A 92 -1.310 -9.543 -11.377 1.00 4.22 H new ATOM 0 HG22 ILE A 92 -1.577 -10.591 -9.964 1.00 4.22 H new ATOM 0 HG23 ILE A 92 -2.593 -10.775 -11.413 1.00 4.22 H new ATOM 0 HD11 ILE A 92 -3.247 -6.960 -12.992 1.00 25.34 H new ATOM 0 HD12 ILE A 92 -2.150 -6.802 -11.599 1.00 25.34 H new ATOM 0 HD13 ILE A 92 -2.027 -8.216 -12.673 1.00 25.34 H new ATOM 1471 N ASP A 93 -3.623 -11.690 -7.995 1.00 33.15 N ATOM 1472 CA ASP A 93 -3.039 -12.404 -6.865 1.00 72.22 C ATOM 1473 C ASP A 93 -1.706 -13.037 -7.253 1.00 61.32 C ATOM 1474 O ASP A 93 -1.628 -13.808 -8.209 1.00 32.10 O ATOM 1475 CB ASP A 93 -4.002 -13.481 -6.363 1.00 51.14 C ATOM 1476 CG ASP A 93 -4.701 -13.078 -5.079 1.00 75.25 C ATOM 1477 OD1 ASP A 93 -5.404 -12.047 -5.084 1.00 4.55 O ATOM 1478 OD2 ASP A 93 -4.544 -13.795 -4.069 1.00 44.20 O ATOM 0 H ASP A 93 -4.151 -12.279 -8.639 1.00 33.15 H new ATOM 0 HA ASP A 93 -2.861 -11.685 -6.065 1.00 72.22 H new ATOM 0 HB2 ASP A 93 -4.748 -13.684 -7.131 1.00 51.14 H new ATOM 0 HB3 ASP A 93 -3.453 -14.408 -6.199 1.00 51.14 H new ATOM 1483 N VAL A 94 -0.659 -12.705 -6.504 1.00 42.20 N ATOM 1484 CA VAL A 94 0.671 -13.241 -6.768 1.00 3.13 C ATOM 1485 C VAL A 94 1.229 -13.956 -5.543 1.00 63.22 C ATOM 1486 O VAL A 94 0.702 -13.822 -4.438 1.00 75.11 O ATOM 1487 CB VAL A 94 1.650 -12.128 -7.190 1.00 60.34 C ATOM 1488 CG1 VAL A 94 1.396 -11.712 -8.630 1.00 1.03 C ATOM 1489 CG2 VAL A 94 1.536 -10.936 -6.253 1.00 61.03 C ATOM 0 H VAL A 94 -0.706 -12.067 -5.709 1.00 42.20 H new ATOM 0 HA VAL A 94 0.569 -13.955 -7.585 1.00 3.13 H new ATOM 0 HB VAL A 94 2.666 -12.517 -7.124 1.00 60.34 H new ATOM 0 HG11 VAL A 94 2.096 -10.925 -8.910 1.00 1.03 H new ATOM 0 HG12 VAL A 94 1.533 -12.571 -9.287 1.00 1.03 H new ATOM 0 HG13 VAL A 94 0.376 -11.341 -8.727 1.00 1.03 H new ATOM 0 HG21 VAL A 94 2.234 -10.159 -6.565 1.00 61.03 H new ATOM 0 HG22 VAL A 94 0.519 -10.544 -6.285 1.00 61.03 H new ATOM 0 HG23 VAL A 94 1.773 -11.249 -5.236 1.00 61.03 H new ATOM 1499 N LYS A 95 2.299 -14.717 -5.745 1.00 20.14 N ATOM 1500 CA LYS A 95 2.932 -15.453 -4.657 1.00 21.43 C ATOM 1501 C LYS A 95 3.796 -14.530 -3.805 1.00 41.23 C ATOM 1502 O LYS A 95 3.452 -14.220 -2.665 1.00 42.23 O ATOM 1503 CB LYS A 95 3.783 -16.596 -5.216 1.00 53.35 C ATOM 1504 CG LYS A 95 3.121 -17.958 -5.106 1.00 33.13 C ATOM 1505 CD LYS A 95 1.924 -18.072 -6.035 1.00 31.21 C ATOM 1506 CE LYS A 95 1.705 -19.507 -6.489 1.00 33.43 C ATOM 1507 NZ LYS A 95 2.029 -19.688 -7.931 1.00 33.22 N ATOM 0 H LYS A 95 2.747 -14.840 -6.653 1.00 20.14 H new ATOM 0 HA LYS A 95 2.146 -15.868 -4.026 1.00 21.43 H new ATOM 0 HB2 LYS A 95 4.005 -16.393 -6.264 1.00 53.35 H new ATOM 0 HB3 LYS A 95 4.736 -16.621 -4.687 1.00 53.35 H new ATOM 0 HG2 LYS A 95 3.845 -18.736 -5.347 1.00 33.13 H new ATOM 0 HG3 LYS A 95 2.802 -18.127 -4.077 1.00 33.13 H new ATOM 0 HD2 LYS A 95 1.031 -17.710 -5.525 1.00 31.21 H new ATOM 0 HD3 LYS A 95 2.075 -17.433 -6.905 1.00 31.21 H new ATOM 0 HE2 LYS A 95 2.324 -20.176 -5.891 1.00 33.43 H new ATOM 0 HE3 LYS A 95 0.667 -19.790 -6.312 1.00 33.43 H new ATOM 0 HZ1 LYS A 95 1.867 -20.679 -8.202 1.00 33.22 H new ATOM 0 HZ2 LYS A 95 1.421 -19.069 -8.504 1.00 33.22 H new ATOM 0 HZ3 LYS A 95 3.026 -19.443 -8.096 1.00 33.22 H new ATOM 1521 N ASP A 96 4.917 -14.093 -4.366 1.00 13.24 N ATOM 1522 CA ASP A 96 5.830 -13.201 -3.658 1.00 23.40 C ATOM 1523 C ASP A 96 5.973 -11.874 -4.395 1.00 4.42 C ATOM 1524 O ASP A 96 5.274 -11.616 -5.375 1.00 1.42 O ATOM 1525 CB ASP A 96 7.200 -13.861 -3.500 1.00 74.04 C ATOM 1526 CG ASP A 96 7.743 -14.391 -4.812 1.00 34.24 C ATOM 1527 OD1 ASP A 96 7.439 -13.792 -5.866 1.00 64.52 O ATOM 1528 OD2 ASP A 96 8.473 -15.405 -4.787 1.00 50.15 O ATOM 0 H ASP A 96 5.217 -14.341 -5.309 1.00 13.24 H new ATOM 0 HA ASP A 96 5.414 -13.004 -2.670 1.00 23.40 H new ATOM 0 HB2 ASP A 96 7.902 -13.138 -3.085 1.00 74.04 H new ATOM 0 HB3 ASP A 96 7.125 -14.680 -2.784 1.00 74.04 H new ATOM 1533 N THR A 97 6.884 -11.032 -3.916 1.00 23.13 N ATOM 1534 CA THR A 97 7.117 -9.730 -4.526 1.00 15.52 C ATOM 1535 C THR A 97 7.813 -9.872 -5.876 1.00 5.00 C ATOM 1536 O THR A 97 8.083 -8.881 -6.555 1.00 65.34 O ATOM 1537 CB THR A 97 7.971 -8.827 -3.616 1.00 73.12 C ATOM 1538 OG1 THR A 97 7.419 -8.802 -2.295 1.00 71.33 O ATOM 1539 CG2 THR A 97 8.039 -7.411 -4.168 1.00 15.24 C ATOM 0 H THR A 97 7.473 -11.230 -3.107 1.00 23.13 H new ATOM 0 HA THR A 97 6.139 -9.269 -4.669 1.00 15.52 H new ATOM 0 HB THR A 97 8.981 -9.235 -3.581 1.00 73.12 H new ATOM 0 HG1 THR A 97 7.242 -7.875 -2.032 1.00 71.33 H new ATOM 0 HG21 THR A 97 8.647 -6.792 -3.508 1.00 15.24 H new ATOM 0 HG22 THR A 97 8.485 -7.429 -5.162 1.00 15.24 H new ATOM 0 HG23 THR A 97 7.033 -6.996 -4.229 1.00 15.24 H new ATOM 1547 N LYS A 98 8.098 -11.111 -6.261 1.00 23.14 N ATOM 1548 CA LYS A 98 8.760 -11.384 -7.532 1.00 63.34 C ATOM 1549 C LYS A 98 7.740 -11.518 -8.658 1.00 74.21 C ATOM 1550 O LYS A 98 7.738 -10.729 -9.603 1.00 54.14 O ATOM 1551 CB LYS A 98 9.594 -12.663 -7.431 1.00 74.14 C ATOM 1552 CG LYS A 98 10.914 -12.589 -8.179 1.00 41.31 C ATOM 1553 CD LYS A 98 11.450 -13.973 -8.503 1.00 2.13 C ATOM 1554 CE LYS A 98 11.028 -14.422 -9.895 1.00 52.31 C ATOM 1555 NZ LYS A 98 10.726 -15.879 -9.940 1.00 72.42 N ATOM 0 H LYS A 98 7.881 -11.942 -5.711 1.00 23.14 H new ATOM 0 HA LYS A 98 9.418 -10.545 -7.759 1.00 63.34 H new ATOM 0 HB2 LYS A 98 9.793 -12.875 -6.380 1.00 74.14 H new ATOM 0 HB3 LYS A 98 9.012 -13.498 -7.820 1.00 74.14 H new ATOM 0 HG2 LYS A 98 10.779 -12.025 -9.102 1.00 41.31 H new ATOM 0 HG3 LYS A 98 11.644 -12.047 -7.578 1.00 41.31 H new ATOM 0 HD2 LYS A 98 12.538 -13.968 -8.435 1.00 2.13 H new ATOM 0 HD3 LYS A 98 11.088 -14.687 -7.764 1.00 2.13 H new ATOM 0 HE2 LYS A 98 10.148 -13.859 -10.207 1.00 52.31 H new ATOM 0 HE3 LYS A 98 11.822 -14.193 -10.606 1.00 52.31 H new ATOM 0 HZ1 LYS A 98 10.443 -16.145 -10.905 1.00 72.42 H new ATOM 0 HZ2 LYS A 98 11.573 -16.418 -9.667 1.00 72.42 H new ATOM 0 HZ3 LYS A 98 9.951 -16.094 -9.280 1.00 72.42 H new ATOM 1569 N GLU A 99 6.874 -12.521 -8.551 1.00 1.50 N ATOM 1570 CA GLU A 99 5.849 -12.756 -9.561 1.00 0.44 C ATOM 1571 C GLU A 99 4.886 -11.574 -9.644 1.00 33.33 C ATOM 1572 O GLU A 99 4.106 -11.461 -10.589 1.00 32.44 O ATOM 1573 CB GLU A 99 5.075 -14.038 -9.246 1.00 1.20 C ATOM 1574 CG GLU A 99 5.460 -15.213 -10.128 1.00 5.35 C ATOM 1575 CD GLU A 99 4.994 -16.542 -9.566 1.00 3.31 C ATOM 1576 OE1 GLU A 99 3.784 -16.673 -9.282 1.00 71.22 O ATOM 1577 OE2 GLU A 99 5.837 -17.449 -9.411 1.00 61.45 O ATOM 0 H GLU A 99 6.862 -13.183 -7.775 1.00 1.50 H new ATOM 0 HA GLU A 99 6.344 -12.867 -10.526 1.00 0.44 H new ATOM 0 HB2 GLU A 99 5.243 -14.307 -8.203 1.00 1.20 H new ATOM 0 HB3 GLU A 99 4.008 -13.845 -9.358 1.00 1.20 H new ATOM 0 HG2 GLU A 99 5.032 -15.073 -11.121 1.00 5.35 H new ATOM 0 HG3 GLU A 99 6.543 -15.233 -10.247 1.00 5.35 H new ATOM 1584 N ALA A 100 4.947 -10.698 -8.649 1.00 41.34 N ATOM 1585 CA ALA A 100 4.083 -9.524 -8.608 1.00 32.23 C ATOM 1586 C ALA A 100 4.636 -8.405 -9.483 1.00 33.22 C ATOM 1587 O ALA A 100 3.910 -7.809 -10.280 1.00 12.34 O ATOM 1588 CB ALA A 100 3.913 -9.043 -7.175 1.00 11.45 C ATOM 0 H ALA A 100 5.587 -10.778 -7.858 1.00 41.34 H new ATOM 0 HA ALA A 100 3.107 -9.808 -9.001 1.00 32.23 H new ATOM 0 HB1 ALA A 100 3.266 -8.166 -7.160 1.00 11.45 H new ATOM 0 HB2 ALA A 100 3.464 -9.836 -6.576 1.00 11.45 H new ATOM 0 HB3 ALA A 100 4.887 -8.782 -6.761 1.00 11.45 H new ATOM 1594 N LEU A 101 5.925 -8.123 -9.331 1.00 54.15 N ATOM 1595 CA LEU A 101 6.577 -7.074 -10.107 1.00 62.15 C ATOM 1596 C LEU A 101 6.499 -7.373 -11.600 1.00 3.23 C ATOM 1597 O LEU A 101 6.155 -6.503 -12.400 1.00 1.21 O ATOM 1598 CB LEU A 101 8.039 -6.929 -9.681 1.00 72.24 C ATOM 1599 CG LEU A 101 8.296 -6.056 -8.452 1.00 14.55 C ATOM 1600 CD1 LEU A 101 9.601 -6.453 -7.778 1.00 5.02 C ATOM 1601 CD2 LEU A 101 8.322 -4.584 -8.841 1.00 31.32 C ATOM 0 H LEU A 101 6.540 -8.607 -8.677 1.00 54.15 H new ATOM 0 HA LEU A 101 6.054 -6.137 -9.914 1.00 62.15 H new ATOM 0 HB2 LEU A 101 8.440 -7.924 -9.486 1.00 72.24 H new ATOM 0 HB3 LEU A 101 8.602 -6.517 -10.519 1.00 72.24 H new ATOM 0 HG LEU A 101 7.483 -6.211 -7.743 1.00 14.55 H new ATOM 0 HD11 LEU A 101 9.767 -5.821 -6.906 1.00 5.02 H new ATOM 0 HD12 LEU A 101 9.547 -7.496 -7.465 1.00 5.02 H new ATOM 0 HD13 LEU A 101 10.426 -6.327 -8.479 1.00 5.02 H new ATOM 0 HD21 LEU A 101 8.506 -3.977 -7.955 1.00 31.32 H new ATOM 0 HD22 LEU A 101 9.116 -4.414 -9.569 1.00 31.32 H new ATOM 0 HD23 LEU A 101 7.363 -4.306 -9.279 1.00 31.32 H new ATOM 1613 N ASP A 102 6.817 -8.609 -11.968 1.00 22.12 N ATOM 1614 CA ASP A 102 6.779 -9.025 -13.366 1.00 15.21 C ATOM 1615 C ASP A 102 5.424 -8.708 -13.990 1.00 63.31 C ATOM 1616 O ASP A 102 5.343 -8.268 -15.137 1.00 30.34 O ATOM 1617 CB ASP A 102 7.072 -10.521 -13.483 1.00 12.21 C ATOM 1618 CG ASP A 102 8.408 -10.799 -14.145 1.00 41.44 C ATOM 1619 OD1 ASP A 102 9.374 -10.058 -13.866 1.00 42.23 O ATOM 1620 OD2 ASP A 102 8.488 -11.757 -14.942 1.00 65.13 O ATOM 0 H ASP A 102 7.104 -9.341 -11.318 1.00 22.12 H new ATOM 0 HA ASP A 102 7.546 -8.470 -13.906 1.00 15.21 H new ATOM 0 HB2 ASP A 102 7.062 -10.969 -12.489 1.00 12.21 H new ATOM 0 HB3 ASP A 102 6.279 -11.000 -14.057 1.00 12.21 H new