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 151:sc= 1.23 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 97 THR OG1 : rot 127:sc= 1.63 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= -3.56! C(o=-3.6!,f=-3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.982 K(o=0.98,f=-5.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.219 USER MOD Single : A 54 SER OG : rot -59:sc= -0.852 USER MOD Single : A 57 CYS SG : rot -127:sc= -2.32! USER MOD Single : A 59 GLN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.852 K(o=-0.85,f=-4.3!) USER MOD Single : A 65 GLN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 72 SER OG : rot 180:sc= 0.204 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.45) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.36! C(o=-1.4!,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc=-0.00585 X(o=-0.0059,f=-0.021) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= -0.0498 (180deg=-0.293) USER MOD ----------------------------------------------------------------- ATOM 138 N LEU A 13 -6.437 -4.673 4.487 1.00 14.23 N ATOM 139 CA LEU A 13 -5.095 -5.019 4.944 1.00 54.40 C ATOM 140 C LEU A 13 -4.893 -6.530 4.945 1.00 72.35 C ATOM 141 O LEU A 13 -3.797 -7.021 4.672 1.00 21.05 O ATOM 142 CB LEU A 13 -4.853 -4.459 6.347 1.00 10.11 C ATOM 143 CG LEU A 13 -3.483 -3.825 6.590 1.00 33.11 C ATOM 144 CD1 LEU A 13 -3.276 -2.631 5.670 1.00 30.21 C ATOM 145 CD2 LEU A 13 -3.338 -3.409 8.046 1.00 64.25 C ATOM 0 HA LEU A 13 -4.377 -4.576 4.254 1.00 54.40 H new ATOM 0 HB2 LEU A 13 -5.619 -3.712 6.555 1.00 10.11 H new ATOM 0 HB3 LEU A 13 -4.991 -5.266 7.067 1.00 10.11 H new ATOM 0 HG LEU A 13 -2.717 -4.567 6.367 1.00 33.11 H new ATOM 0 HD11 LEU A 13 -2.296 -2.193 5.857 1.00 30.21 H new ATOM 0 HD12 LEU A 13 -3.335 -2.957 4.632 1.00 30.21 H new ATOM 0 HD13 LEU A 13 -4.049 -1.886 5.861 1.00 30.21 H new ATOM 0 HD21 LEU A 13 -2.357 -2.960 8.200 1.00 64.25 H new ATOM 0 HD22 LEU A 13 -4.112 -2.684 8.296 1.00 64.25 H new ATOM 0 HD23 LEU A 13 -3.441 -4.285 8.687 1.00 64.25 H new ATOM 157 N ASP A 14 -5.957 -7.264 5.253 1.00 64.14 N ATOM 158 CA ASP A 14 -5.897 -8.721 5.288 1.00 3.33 C ATOM 159 C ASP A 14 -5.326 -9.272 3.984 1.00 40.12 C ATOM 160 O ASP A 14 -4.653 -10.302 3.976 1.00 23.42 O ATOM 161 CB ASP A 14 -7.290 -9.303 5.535 1.00 32.32 C ATOM 162 CG ASP A 14 -7.306 -10.299 6.679 1.00 11.03 C ATOM 163 OD1 ASP A 14 -7.271 -9.861 7.848 1.00 34.03 O ATOM 164 OD2 ASP A 14 -7.355 -11.516 6.404 1.00 31.11 O ATOM 0 H ASP A 14 -6.871 -6.874 5.482 1.00 64.14 H new ATOM 0 HA ASP A 14 -5.238 -9.015 6.105 1.00 3.33 H new ATOM 0 HB2 ASP A 14 -7.986 -8.493 5.752 1.00 32.32 H new ATOM 0 HB3 ASP A 14 -7.643 -9.791 4.627 1.00 32.32 H new ATOM 169 N LYS A 15 -5.601 -8.579 2.884 1.00 54.24 N ATOM 170 CA LYS A 15 -5.115 -8.997 1.575 1.00 2.14 C ATOM 171 C LYS A 15 -3.716 -8.450 1.314 1.00 11.44 C ATOM 172 O LYS A 15 -2.959 -9.008 0.518 1.00 40.40 O ATOM 173 CB LYS A 15 -6.072 -8.525 0.479 1.00 12.03 C ATOM 174 CG LYS A 15 -6.851 -9.653 -0.176 1.00 1.44 C ATOM 175 CD LYS A 15 -8.246 -9.205 -0.580 1.00 25.30 C ATOM 176 CE LYS A 15 -9.154 -10.394 -0.857 1.00 54.35 C ATOM 177 NZ LYS A 15 -10.394 -10.348 -0.034 1.00 41.21 N ATOM 0 H LYS A 15 -6.158 -7.725 2.874 1.00 54.24 H new ATOM 0 HA LYS A 15 -5.068 -10.086 1.563 1.00 2.14 H new ATOM 0 HB2 LYS A 15 -6.775 -7.809 0.906 1.00 12.03 H new ATOM 0 HB3 LYS A 15 -5.503 -7.996 -0.285 1.00 12.03 H new ATOM 0 HG2 LYS A 15 -6.312 -10.006 -1.055 1.00 1.44 H new ATOM 0 HG3 LYS A 15 -6.923 -10.495 0.513 1.00 1.44 H new ATOM 0 HD2 LYS A 15 -8.677 -8.593 0.213 1.00 25.30 H new ATOM 0 HD3 LYS A 15 -8.185 -8.577 -1.469 1.00 25.30 H new ATOM 0 HE2 LYS A 15 -9.420 -10.409 -1.914 1.00 54.35 H new ATOM 0 HE3 LYS A 15 -8.615 -11.319 -0.650 1.00 54.35 H new ATOM 0 HZ1 LYS A 15 -10.986 -11.175 -0.252 1.00 41.21 H new ATOM 0 HZ2 LYS A 15 -10.142 -10.359 0.975 1.00 41.21 H new ATOM 0 HZ3 LYS A 15 -10.922 -9.478 -0.250 1.00 41.21 H new ATOM 191 N TRP A 16 -3.377 -7.358 1.989 1.00 5.31 N ATOM 192 CA TRP A 16 -2.067 -6.737 1.830 1.00 42.23 C ATOM 193 C TRP A 16 -1.004 -7.501 2.610 1.00 31.43 C ATOM 194 O TRP A 16 0.124 -7.662 2.144 1.00 1.33 O ATOM 195 CB TRP A 16 -2.110 -5.280 2.297 1.00 1.02 C ATOM 196 CG TRP A 16 -0.759 -4.637 2.359 1.00 14.51 C ATOM 197 CD1 TRP A 16 -0.049 -4.326 3.484 1.00 70.04 C ATOM 198 CD2 TRP A 16 0.046 -4.222 1.248 1.00 64.13 C ATOM 199 NE1 TRP A 16 1.147 -3.743 3.140 1.00 74.31 N ATOM 200 CE2 TRP A 16 1.230 -3.670 1.774 1.00 43.24 C ATOM 201 CE3 TRP A 16 -0.119 -4.266 -0.138 1.00 74.20 C ATOM 202 CZ2 TRP A 16 2.241 -3.165 0.961 1.00 42.03 C ATOM 203 CZ3 TRP A 16 0.886 -3.766 -0.945 1.00 44.53 C ATOM 204 CH2 TRP A 16 2.053 -3.221 -0.393 1.00 61.21 C ATOM 0 H TRP A 16 -3.991 -6.884 2.652 1.00 5.31 H new ATOM 0 HA TRP A 16 -1.806 -6.765 0.772 1.00 42.23 H new ATOM 0 HB2 TRP A 16 -2.746 -4.708 1.622 1.00 1.02 H new ATOM 0 HB3 TRP A 16 -2.571 -5.236 3.284 1.00 1.02 H new ATOM 0 HD1 TRP A 16 -0.379 -4.511 4.495 1.00 70.04 H new ATOM 0 HE1 TRP A 16 1.858 -3.417 3.795 1.00 74.31 H new ATOM 0 HE3 TRP A 16 -1.016 -4.683 -0.572 1.00 74.20 H new ATOM 0 HZ2 TRP A 16 3.141 -2.744 1.384 1.00 42.03 H new ATOM 0 HZ3 TRP A 16 0.770 -3.796 -2.018 1.00 44.53 H new ATOM 0 HH2 TRP A 16 2.820 -2.837 -1.050 1.00 61.21 H new ATOM 215 N GLU A 17 -1.371 -7.973 3.797 1.00 31.51 N ATOM 216 CA GLU A 17 -0.446 -8.721 4.640 1.00 72.45 C ATOM 217 C GLU A 17 -0.338 -10.171 4.175 1.00 75.45 C ATOM 218 O GLU A 17 0.396 -10.969 4.759 1.00 70.13 O ATOM 219 CB GLU A 17 -0.901 -8.676 6.101 1.00 0.44 C ATOM 220 CG GLU A 17 -0.772 -7.300 6.734 1.00 71.44 C ATOM 221 CD GLU A 17 -1.030 -7.321 8.229 1.00 35.52 C ATOM 222 OE1 GLU A 17 -2.095 -7.828 8.639 1.00 20.02 O ATOM 223 OE2 GLU A 17 -0.167 -6.832 8.987 1.00 43.22 O ATOM 0 H GLU A 17 -2.302 -7.851 4.196 1.00 31.51 H new ATOM 0 HA GLU A 17 0.536 -8.256 4.558 1.00 72.45 H new ATOM 0 HB2 GLU A 17 -1.941 -8.998 6.160 1.00 0.44 H new ATOM 0 HB3 GLU A 17 -0.313 -9.389 6.679 1.00 0.44 H new ATOM 0 HG2 GLU A 17 0.228 -6.910 6.547 1.00 71.44 H new ATOM 0 HG3 GLU A 17 -1.475 -6.617 6.257 1.00 71.44 H new ATOM 230 N LYS A 18 -1.074 -10.505 3.121 1.00 12.21 N ATOM 231 CA LYS A 18 -1.062 -11.856 2.575 1.00 72.42 C ATOM 232 C LYS A 18 0.020 -12.004 1.511 1.00 73.11 C ATOM 233 O LYS A 18 0.413 -13.118 1.161 1.00 44.35 O ATOM 234 CB LYS A 18 -2.429 -12.201 1.979 1.00 75.54 C ATOM 235 CG LYS A 18 -2.730 -13.690 1.969 1.00 0.33 C ATOM 236 CD LYS A 18 -4.224 -13.955 1.901 1.00 23.44 C ATOM 237 CE LYS A 18 -4.518 -15.396 1.509 1.00 73.22 C ATOM 238 NZ LYS A 18 -4.963 -16.208 2.676 1.00 10.13 N ATOM 0 H LYS A 18 -1.688 -9.857 2.627 1.00 12.21 H new ATOM 0 HA LYS A 18 -0.843 -12.547 3.389 1.00 72.42 H new ATOM 0 HB2 LYS A 18 -3.204 -11.686 2.547 1.00 75.54 H new ATOM 0 HB3 LYS A 18 -2.477 -11.822 0.958 1.00 75.54 H new ATOM 0 HG2 LYS A 18 -2.237 -14.156 1.116 1.00 0.33 H new ATOM 0 HG3 LYS A 18 -2.318 -14.152 2.866 1.00 0.33 H new ATOM 0 HD2 LYS A 18 -4.677 -13.741 2.869 1.00 23.44 H new ATOM 0 HD3 LYS A 18 -4.682 -13.280 1.178 1.00 23.44 H new ATOM 0 HE2 LYS A 18 -5.290 -15.413 0.739 1.00 73.22 H new ATOM 0 HE3 LYS A 18 -3.624 -15.844 1.074 1.00 73.22 H new ATOM 0 HZ1 LYS A 18 -5.153 -17.183 2.368 1.00 10.13 H new ATOM 0 HZ2 LYS A 18 -4.217 -16.213 3.400 1.00 10.13 H new ATOM 0 HZ3 LYS A 18 -5.830 -15.796 3.075 1.00 10.13 H new ATOM 252 N ILE A 19 0.500 -10.875 1.001 1.00 11.04 N ATOM 253 CA ILE A 19 1.539 -10.879 -0.022 1.00 20.41 C ATOM 254 C ILE A 19 2.918 -11.076 0.597 1.00 13.24 C ATOM 255 O ILE A 19 3.261 -10.436 1.592 1.00 10.55 O ATOM 256 CB ILE A 19 1.534 -9.572 -0.834 1.00 11.14 C ATOM 257 CG1 ILE A 19 0.159 -9.341 -1.464 1.00 41.03 C ATOM 258 CG2 ILE A 19 2.613 -9.610 -1.907 1.00 31.11 C ATOM 259 CD1 ILE A 19 -0.407 -7.964 -1.191 1.00 21.20 C ATOM 0 H ILE A 19 0.186 -9.945 1.279 1.00 11.04 H new ATOM 0 HA ILE A 19 1.321 -11.712 -0.690 1.00 20.41 H new ATOM 0 HB ILE A 19 1.748 -8.743 -0.159 1.00 11.14 H new ATOM 0 HG12 ILE A 19 0.233 -9.488 -2.542 1.00 41.03 H new ATOM 0 HG13 ILE A 19 -0.535 -10.092 -1.087 1.00 41.03 H new ATOM 0 HG21 ILE A 19 2.597 -8.678 -2.473 1.00 31.11 H new ATOM 0 HG22 ILE A 19 3.589 -9.732 -1.437 1.00 31.11 H new ATOM 0 HG23 ILE A 19 2.427 -10.447 -2.580 1.00 31.11 H new ATOM 0 HD11 ILE A 19 -1.383 -7.871 -1.668 1.00 21.20 H new ATOM 0 HD12 ILE A 19 -0.513 -7.821 -0.116 1.00 21.20 H new ATOM 0 HD13 ILE A 19 0.267 -7.207 -1.593 1.00 21.20 H new ATOM 271 N ARG A 20 3.707 -11.964 0.001 1.00 11.55 N ATOM 272 CA ARG A 20 5.051 -12.244 0.493 1.00 70.12 C ATOM 273 C ARG A 20 6.027 -11.154 0.061 1.00 10.23 C ATOM 274 O ARG A 20 5.708 -10.321 -0.790 1.00 62.33 O ATOM 275 CB ARG A 20 5.531 -13.604 -0.017 1.00 64.42 C ATOM 276 CG ARG A 20 4.839 -14.783 0.649 1.00 25.05 C ATOM 277 CD ARG A 20 5.333 -16.107 0.090 1.00 72.52 C ATOM 278 NE ARG A 20 4.866 -17.243 0.880 1.00 32.53 N ATOM 279 CZ ARG A 20 3.604 -17.657 0.898 1.00 33.20 C ATOM 280 NH1 ARG A 20 2.688 -17.031 0.172 1.00 40.10 N ATOM 281 NH2 ARG A 20 3.256 -18.699 1.642 1.00 61.10 N ATOM 0 H ARG A 20 3.439 -12.502 -0.823 1.00 11.55 H new ATOM 0 HA ARG A 20 5.015 -12.264 1.582 1.00 70.12 H new ATOM 0 HB2 ARG A 20 5.367 -13.658 -1.093 1.00 64.42 H new ATOM 0 HB3 ARG A 20 6.606 -13.685 0.146 1.00 64.42 H new ATOM 0 HG2 ARG A 20 5.018 -14.751 1.724 1.00 25.05 H new ATOM 0 HG3 ARG A 20 3.762 -14.704 0.502 1.00 25.05 H new ATOM 0 HD2 ARG A 20 4.991 -16.216 -0.939 1.00 72.52 H new ATOM 0 HD3 ARG A 20 6.423 -16.106 0.065 1.00 72.52 H new ATOM 0 HE ARG A 20 5.546 -17.746 1.449 1.00 32.53 H new ATOM 0 HH11 ARG A 20 2.952 -16.230 -0.402 1.00 40.10 H new ATOM 0 HH12 ARG A 20 1.719 -17.350 0.187 1.00 40.10 H new ATOM 0 HH21 ARG A 20 3.958 -19.183 2.201 1.00 61.10 H new ATOM 0 HH22 ARG A 20 2.286 -19.016 1.655 1.00 61.10 H new ATOM 295 N LEU A 21 7.217 -11.164 0.650 1.00 71.35 N ATOM 296 CA LEU A 21 8.240 -10.177 0.327 1.00 42.22 C ATOM 297 C LEU A 21 9.284 -10.763 -0.618 1.00 71.13 C ATOM 298 O LEU A 21 9.653 -10.142 -1.614 1.00 54.53 O ATOM 299 CB LEU A 21 8.916 -9.675 1.604 1.00 63.21 C ATOM 300 CG LEU A 21 7.986 -9.096 2.673 1.00 32.54 C ATOM 301 CD1 LEU A 21 8.793 -8.497 3.814 1.00 33.45 C ATOM 302 CD2 LEU A 21 7.061 -8.053 2.065 1.00 43.11 C ATOM 0 H LEU A 21 7.497 -11.846 1.355 1.00 71.35 H new ATOM 0 HA LEU A 21 7.754 -9.339 -0.173 1.00 42.22 H new ATOM 0 HB2 LEU A 21 9.474 -10.501 2.045 1.00 63.21 H new ATOM 0 HB3 LEU A 21 9.643 -8.910 1.330 1.00 63.21 H new ATOM 0 HG LEU A 21 7.375 -9.905 3.074 1.00 32.54 H new ATOM 0 HD11 LEU A 21 8.115 -8.090 4.565 1.00 33.45 H new ATOM 0 HD12 LEU A 21 9.413 -9.271 4.266 1.00 33.45 H new ATOM 0 HD13 LEU A 21 9.430 -7.700 3.430 1.00 33.45 H new ATOM 0 HD21 LEU A 21 6.407 -7.652 2.839 1.00 43.11 H new ATOM 0 HD22 LEU A 21 7.655 -7.245 1.637 1.00 43.11 H new ATOM 0 HD23 LEU A 21 6.458 -8.514 1.283 1.00 43.11 H new ATOM 314 N ARG A 22 9.755 -11.964 -0.298 1.00 34.04 N ATOM 315 CA ARG A 22 10.756 -12.636 -1.118 1.00 73.01 C ATOM 316 C ARG A 22 10.131 -13.780 -1.911 1.00 3.04 C ATOM 317 O ARG A 22 9.000 -14.198 -1.658 1.00 14.24 O ATOM 318 CB ARG A 22 11.890 -13.169 -0.242 1.00 72.10 C ATOM 319 CG ARG A 22 13.147 -12.316 -0.285 1.00 13.55 C ATOM 320 CD ARG A 22 13.171 -11.303 0.849 1.00 12.43 C ATOM 321 NE ARG A 22 13.602 -11.902 2.110 1.00 4.24 N ATOM 322 CZ ARG A 22 13.572 -11.264 3.274 1.00 3.12 C ATOM 323 NH1 ARG A 22 13.133 -10.014 3.339 1.00 33.25 N ATOM 324 NH2 ARG A 22 13.979 -11.878 4.378 1.00 14.54 N ATOM 0 H ARG A 22 9.459 -12.492 0.523 1.00 34.04 H new ATOM 0 HA ARG A 22 11.161 -11.908 -1.821 1.00 73.01 H new ATOM 0 HB2 ARG A 22 11.541 -13.235 0.789 1.00 72.10 H new ATOM 0 HB3 ARG A 22 12.138 -14.182 -0.560 1.00 72.10 H new ATOM 0 HG2 ARG A 22 14.026 -12.957 -0.220 1.00 13.55 H new ATOM 0 HG3 ARG A 22 13.202 -11.795 -1.241 1.00 13.55 H new ATOM 0 HD2 ARG A 22 13.842 -10.484 0.589 1.00 12.43 H new ATOM 0 HD3 ARG A 22 12.177 -10.874 0.973 1.00 12.43 H new ATOM 0 HE ARG A 22 13.945 -12.863 2.095 1.00 4.24 H new ATOM 0 HH11 ARG A 22 12.817 -9.540 2.493 1.00 33.25 H new ATOM 0 HH12 ARG A 22 13.111 -9.527 4.235 1.00 33.25 H new ATOM 0 HH21 ARG A 22 14.315 -12.840 4.332 1.00 14.54 H new ATOM 0 HH22 ARG A 22 13.956 -11.388 5.272 1.00 14.54 H new ATOM 338 N PRO A 23 10.881 -14.298 -2.895 1.00 62.14 N ATOM 339 CA PRO A 23 10.421 -15.400 -3.744 1.00 12.14 C ATOM 340 C PRO A 23 10.330 -16.719 -2.985 1.00 14.44 C ATOM 341 O PRO A 23 9.289 -17.374 -2.980 1.00 23.03 O ATOM 342 CB PRO A 23 11.495 -15.482 -4.832 1.00 54.43 C ATOM 343 CG PRO A 23 12.718 -14.912 -4.200 1.00 70.02 C ATOM 344 CD PRO A 23 12.237 -13.848 -3.252 1.00 0.01 C ATOM 0 HA PRO A 23 9.417 -15.225 -4.129 1.00 12.14 H new ATOM 0 HB2 PRO A 23 11.657 -16.511 -5.151 1.00 54.43 H new ATOM 0 HB3 PRO A 23 11.206 -14.915 -5.717 1.00 54.43 H new ATOM 0 HG2 PRO A 23 13.279 -15.682 -3.670 1.00 70.02 H new ATOM 0 HG3 PRO A 23 13.386 -14.492 -4.952 1.00 70.02 H new ATOM 0 HD2 PRO A 23 12.879 -13.771 -2.375 1.00 0.01 H new ATOM 0 HD3 PRO A 23 12.223 -12.866 -3.724 1.00 0.01 H new ATOM 352 N GLY A 24 11.430 -17.104 -2.344 1.00 63.42 N ATOM 353 CA GLY A 24 11.453 -18.344 -1.589 1.00 41.20 C ATOM 354 C GLY A 24 11.457 -18.111 -0.092 1.00 63.04 C ATOM 355 O GLY A 24 12.042 -18.887 0.663 1.00 40.11 O ATOM 0 H GLY A 24 12.305 -16.580 -2.334 1.00 63.42 H new ATOM 0 HA2 GLY A 24 10.585 -18.945 -1.858 1.00 41.20 H new ATOM 0 HA3 GLY A 24 12.337 -18.918 -1.867 1.00 41.20 H new ATOM 359 N GLY A 25 10.803 -17.036 0.341 1.00 73.12 N ATOM 360 CA GLY A 25 10.748 -16.722 1.757 1.00 22.12 C ATOM 361 C GLY A 25 9.395 -17.031 2.366 1.00 71.14 C ATOM 362 O GLY A 25 8.562 -17.692 1.746 1.00 54.14 O ATOM 0 H GLY A 25 10.311 -16.378 -0.263 1.00 73.12 H new ATOM 0 HA2 GLY A 25 11.517 -17.288 2.282 1.00 22.12 H new ATOM 0 HA3 GLY A 25 10.975 -15.666 1.901 1.00 22.12 H new ATOM 366 N LYS A 26 9.175 -16.554 3.587 1.00 12.22 N ATOM 367 CA LYS A 26 7.914 -16.782 4.284 1.00 33.43 C ATOM 368 C LYS A 26 7.388 -15.488 4.896 1.00 35.33 C ATOM 369 O LYS A 26 6.365 -15.485 5.580 1.00 52.34 O ATOM 370 CB LYS A 26 8.096 -17.839 5.376 1.00 1.13 C ATOM 371 CG LYS A 26 6.786 -18.392 5.911 1.00 1.35 C ATOM 372 CD LYS A 26 7.011 -19.614 6.784 1.00 74.14 C ATOM 373 CE LYS A 26 5.717 -20.377 7.021 1.00 41.02 C ATOM 374 NZ LYS A 26 5.634 -21.604 6.181 1.00 55.33 N ATOM 0 H LYS A 26 9.855 -16.006 4.115 1.00 12.22 H new ATOM 0 HA LYS A 26 7.185 -17.141 3.557 1.00 33.43 H new ATOM 0 HB2 LYS A 26 8.692 -18.660 4.979 1.00 1.13 H new ATOM 0 HB3 LYS A 26 8.661 -17.404 6.201 1.00 1.13 H new ATOM 0 HG2 LYS A 26 6.273 -17.622 6.487 1.00 1.35 H new ATOM 0 HG3 LYS A 26 6.134 -18.654 5.078 1.00 1.35 H new ATOM 0 HD2 LYS A 26 7.740 -20.271 6.310 1.00 74.14 H new ATOM 0 HD3 LYS A 26 7.433 -19.306 7.741 1.00 74.14 H new ATOM 0 HE2 LYS A 26 5.645 -20.652 8.073 1.00 41.02 H new ATOM 0 HE3 LYS A 26 4.868 -19.729 6.802 1.00 41.02 H new ATOM 0 HZ1 LYS A 26 4.738 -22.096 6.372 1.00 55.33 H new ATOM 0 HZ2 LYS A 26 5.677 -21.340 5.176 1.00 55.33 H new ATOM 0 HZ3 LYS A 26 6.430 -22.234 6.408 1.00 55.33 H new ATOM 388 N LYS A 27 8.094 -14.390 4.643 1.00 65.42 N ATOM 389 CA LYS A 27 7.697 -13.089 5.167 1.00 63.42 C ATOM 390 C LYS A 27 6.601 -12.467 4.307 1.00 12.10 C ATOM 391 O LYS A 27 6.501 -12.751 3.113 1.00 12.54 O ATOM 392 CB LYS A 27 8.905 -12.152 5.229 1.00 43.42 C ATOM 393 CG LYS A 27 9.579 -12.119 6.590 1.00 32.20 C ATOM 394 CD LYS A 27 10.547 -10.953 6.704 1.00 43.11 C ATOM 395 CE LYS A 27 10.497 -10.321 8.087 1.00 51.12 C ATOM 396 NZ LYS A 27 10.847 -8.874 8.048 1.00 3.22 N ATOM 0 H LYS A 27 8.943 -14.376 4.078 1.00 65.42 H new ATOM 0 HA LYS A 27 7.305 -13.234 6.174 1.00 63.42 H new ATOM 0 HB2 LYS A 27 9.633 -12.462 4.479 1.00 43.42 H new ATOM 0 HB3 LYS A 27 8.586 -11.143 4.966 1.00 43.42 H new ATOM 0 HG2 LYS A 27 8.822 -12.042 7.370 1.00 32.20 H new ATOM 0 HG3 LYS A 27 10.113 -13.054 6.755 1.00 32.20 H new ATOM 0 HD2 LYS A 27 11.560 -11.298 6.497 1.00 43.11 H new ATOM 0 HD3 LYS A 27 10.305 -10.203 5.951 1.00 43.11 H new ATOM 0 HE2 LYS A 27 9.498 -10.442 8.506 1.00 51.12 H new ATOM 0 HE3 LYS A 27 11.186 -10.844 8.750 1.00 51.12 H new ATOM 0 HZ1 LYS A 27 10.802 -8.480 9.009 1.00 3.22 H new ATOM 0 HZ2 LYS A 27 11.810 -8.760 7.672 1.00 3.22 H new ATOM 0 HZ3 LYS A 27 10.174 -8.371 7.435 1.00 3.22 H new ATOM 410 N GLN A 28 5.783 -11.618 4.920 1.00 33.41 N ATOM 411 CA GLN A 28 4.696 -10.956 4.209 1.00 43.01 C ATOM 412 C GLN A 28 4.867 -9.441 4.241 1.00 71.23 C ATOM 413 O GLN A 28 5.878 -8.931 4.724 1.00 73.04 O ATOM 414 CB GLN A 28 3.348 -11.343 4.821 1.00 13.14 C ATOM 415 CG GLN A 28 2.953 -10.486 6.012 1.00 54.11 C ATOM 416 CD GLN A 28 4.111 -10.228 6.955 1.00 73.34 C ATOM 417 OE1 GLN A 28 4.540 -9.088 7.135 1.00 45.44 O ATOM 418 NE2 GLN A 28 4.626 -11.290 7.564 1.00 52.35 N ATOM 0 H GLN A 28 5.852 -11.372 5.908 1.00 33.41 H new ATOM 0 HA GLN A 28 4.723 -11.284 3.170 1.00 43.01 H new ATOM 0 HB2 GLN A 28 2.575 -11.266 4.056 1.00 13.14 H new ATOM 0 HB3 GLN A 28 3.386 -12.387 5.132 1.00 13.14 H new ATOM 0 HG2 GLN A 28 2.561 -9.534 5.655 1.00 54.11 H new ATOM 0 HG3 GLN A 28 2.148 -10.978 6.558 1.00 54.11 H new ATOM 0 HE21 GLN A 28 4.240 -12.217 7.386 1.00 52.35 H new ATOM 0 HE22 GLN A 28 5.408 -11.178 8.210 1.00 52.35 H new ATOM 427 N TYR A 29 3.874 -8.727 3.724 1.00 64.12 N ATOM 428 CA TYR A 29 3.914 -7.271 3.692 1.00 54.51 C ATOM 429 C TYR A 29 3.204 -6.678 4.905 1.00 42.30 C ATOM 430 O TYR A 29 2.227 -7.238 5.403 1.00 73.33 O ATOM 431 CB TYR A 29 3.273 -6.749 2.405 1.00 2.01 C ATOM 432 CG TYR A 29 4.261 -6.527 1.282 1.00 25.23 C ATOM 433 CD1 TYR A 29 5.093 -5.415 1.273 1.00 61.24 C ATOM 434 CD2 TYR A 29 4.361 -7.428 0.229 1.00 64.42 C ATOM 435 CE1 TYR A 29 5.997 -5.207 0.249 1.00 64.22 C ATOM 436 CE2 TYR A 29 5.261 -7.229 -0.797 1.00 34.34 C ATOM 437 CZ TYR A 29 6.077 -6.118 -0.784 1.00 13.22 C ATOM 438 OH TYR A 29 6.976 -5.915 -1.806 1.00 62.11 O ATOM 0 H TYR A 29 3.030 -9.134 3.321 1.00 64.12 H new ATOM 0 HA TYR A 29 4.959 -6.962 3.720 1.00 54.51 H new ATOM 0 HB2 TYR A 29 2.513 -7.457 2.074 1.00 2.01 H new ATOM 0 HB3 TYR A 29 2.762 -5.810 2.619 1.00 2.01 H new ATOM 0 HD1 TYR A 29 5.032 -4.700 2.080 1.00 61.24 H new ATOM 0 HD2 TYR A 29 3.723 -8.299 0.214 1.00 64.42 H new ATOM 0 HE1 TYR A 29 6.637 -4.337 0.257 1.00 64.22 H new ATOM 0 HE2 TYR A 29 5.326 -7.940 -1.607 1.00 34.34 H new ATOM 0 HH TYR A 29 7.252 -6.780 -2.175 1.00 62.11 H new ATOM 448 N LYS A 30 3.700 -5.538 5.375 1.00 70.51 N ATOM 449 CA LYS A 30 3.114 -4.866 6.527 1.00 45.54 C ATOM 450 C LYS A 30 3.023 -3.361 6.292 1.00 53.22 C ATOM 451 O LYS A 30 3.709 -2.815 5.427 1.00 74.51 O ATOM 452 CB LYS A 30 3.940 -5.148 7.784 1.00 13.43 C ATOM 453 CG LYS A 30 3.106 -5.570 8.980 1.00 40.15 C ATOM 454 CD LYS A 30 3.974 -5.860 10.193 1.00 13.03 C ATOM 455 CE LYS A 30 3.134 -6.086 11.440 1.00 31.31 C ATOM 456 NZ LYS A 30 3.543 -7.319 12.169 1.00 2.54 N ATOM 0 H LYS A 30 4.507 -5.060 4.975 1.00 70.51 H new ATOM 0 HA LYS A 30 2.106 -5.255 6.668 1.00 45.54 H new ATOM 0 HB2 LYS A 30 4.665 -5.931 7.563 1.00 13.43 H new ATOM 0 HB3 LYS A 30 4.506 -4.254 8.044 1.00 13.43 H new ATOM 0 HG2 LYS A 30 2.392 -4.783 9.223 1.00 40.15 H new ATOM 0 HG3 LYS A 30 2.527 -6.458 8.726 1.00 40.15 H new ATOM 0 HD2 LYS A 30 4.586 -6.741 10.001 1.00 13.03 H new ATOM 0 HD3 LYS A 30 4.657 -5.027 10.360 1.00 13.03 H new ATOM 0 HE2 LYS A 30 3.228 -5.225 12.102 1.00 31.31 H new ATOM 0 HE3 LYS A 30 2.083 -6.161 11.161 1.00 31.31 H new ATOM 0 HZ1 LYS A 30 2.947 -7.437 13.013 1.00 2.54 H new ATOM 0 HZ2 LYS A 30 3.430 -8.144 11.546 1.00 2.54 H new ATOM 0 HZ3 LYS A 30 4.539 -7.237 12.458 1.00 2.54 H new ATOM 470 N LEU A 31 2.174 -2.695 7.068 1.00 35.32 N ATOM 471 CA LEU A 31 1.996 -1.253 6.945 1.00 10.23 C ATOM 472 C LEU A 31 3.339 -0.550 6.778 1.00 74.12 C ATOM 473 O LEU A 31 3.504 0.300 5.902 1.00 42.12 O ATOM 474 CB LEU A 31 1.269 -0.702 8.173 1.00 73.54 C ATOM 475 CG LEU A 31 -0.012 0.085 7.897 1.00 71.05 C ATOM 476 CD1 LEU A 31 0.307 1.399 7.201 1.00 33.21 C ATOM 477 CD2 LEU A 31 -0.978 -0.742 7.062 1.00 35.42 C ATOM 0 H LEU A 31 1.599 -3.131 7.789 1.00 35.32 H new ATOM 0 HA LEU A 31 1.394 -1.061 6.057 1.00 10.23 H new ATOM 0 HB2 LEU A 31 1.025 -1.536 8.830 1.00 73.54 H new ATOM 0 HB3 LEU A 31 1.957 -0.057 8.719 1.00 73.54 H new ATOM 0 HG LEU A 31 -0.489 0.310 8.851 1.00 71.05 H new ATOM 0 HD11 LEU A 31 -0.617 1.945 7.013 1.00 33.21 H new ATOM 0 HD12 LEU A 31 0.959 1.998 7.836 1.00 33.21 H new ATOM 0 HD13 LEU A 31 0.808 1.197 6.254 1.00 33.21 H new ATOM 0 HD21 LEU A 31 -1.884 -0.165 6.876 1.00 35.42 H new ATOM 0 HD22 LEU A 31 -0.510 -0.999 6.112 1.00 35.42 H new ATOM 0 HD23 LEU A 31 -1.233 -1.655 7.599 1.00 35.42 H new ATOM 489 N LYS A 32 4.300 -0.913 7.622 1.00 44.33 N ATOM 490 CA LYS A 32 5.631 -0.321 7.567 1.00 13.54 C ATOM 491 C LYS A 32 6.051 -0.059 6.124 1.00 11.54 C ATOM 492 O LYS A 32 6.578 1.008 5.804 1.00 2.24 O ATOM 493 CB LYS A 32 6.649 -1.239 8.246 1.00 43.11 C ATOM 494 CG LYS A 32 7.673 -0.496 9.088 1.00 24.03 C ATOM 495 CD LYS A 32 7.831 -1.129 10.460 1.00 32.54 C ATOM 496 CE LYS A 32 9.279 -1.094 10.926 1.00 2.24 C ATOM 497 NZ LYS A 32 9.974 -2.388 10.680 1.00 3.12 N ATOM 0 H LYS A 32 4.181 -1.615 8.352 1.00 44.33 H new ATOM 0 HA LYS A 32 5.599 0.631 8.097 1.00 13.54 H new ATOM 0 HB2 LYS A 32 6.118 -1.951 8.879 1.00 43.11 H new ATOM 0 HB3 LYS A 32 7.170 -1.817 7.483 1.00 43.11 H new ATOM 0 HG2 LYS A 32 8.635 -0.493 8.575 1.00 24.03 H new ATOM 0 HG3 LYS A 32 7.368 0.545 9.199 1.00 24.03 H new ATOM 0 HD2 LYS A 32 7.203 -0.603 11.179 1.00 32.54 H new ATOM 0 HD3 LYS A 32 7.483 -2.161 10.428 1.00 32.54 H new ATOM 0 HE2 LYS A 32 9.808 -0.294 10.408 1.00 2.24 H new ATOM 0 HE3 LYS A 32 9.312 -0.861 11.990 1.00 2.24 H new ATOM 0 HZ1 LYS A 32 10.958 -2.322 11.012 1.00 3.12 H new ATOM 0 HZ2 LYS A 32 9.485 -3.148 11.195 1.00 3.12 H new ATOM 0 HZ3 LYS A 32 9.965 -2.599 9.662 1.00 3.12 H new ATOM 511 N HIS A 33 5.813 -1.037 5.257 1.00 35.45 N ATOM 512 CA HIS A 33 6.164 -0.911 3.845 1.00 74.44 C ATOM 513 C HIS A 33 5.280 0.125 3.157 1.00 71.31 C ATOM 514 O HIS A 33 5.839 0.966 2.453 1.00 20.12 O ATOM 515 CB HIS A 33 6.030 -2.262 3.142 1.00 62.24 C ATOM 516 CG HIS A 33 6.800 -3.362 3.806 1.00 32.24 C ATOM 517 ND1 HIS A 33 6.202 -4.481 4.344 1.00 63.04 N ATOM 518 CD2 HIS A 33 8.130 -3.511 4.015 1.00 45.15 C ATOM 519 CE1 HIS A 33 7.129 -5.271 4.857 1.00 53.53 C ATOM 520 NE2 HIS A 33 8.308 -4.704 4.670 1.00 32.31 N ATOM 0 H HIS A 33 5.379 -1.926 5.506 1.00 35.45 H new ATOM 0 HA HIS A 33 7.200 -0.579 3.781 1.00 74.44 H new ATOM 0 HB2 HIS A 33 4.977 -2.539 3.103 1.00 62.24 H new ATOM 0 HB3 HIS A 33 6.371 -2.162 2.112 1.00 62.24 H new ATOM 0 HD2 HIS A 33 8.906 -2.820 3.721 1.00 45.15 H new ATOM 0 HE1 HIS A 33 6.953 -6.218 5.346 1.00 53.53 H new ATOM 0 HE2 HIS A 33 9.205 -5.090 4.965 1.00 32.31 H new ATOM 528 N ILE A 34 3.964 0.088 3.333 1.00 62.35 N ATOM 529 CA ILE A 34 3.080 1.055 2.697 1.00 14.42 C ATOM 530 C ILE A 34 3.496 2.484 3.035 1.00 22.14 C ATOM 531 O ILE A 34 3.797 3.280 2.145 1.00 53.54 O ATOM 532 CB ILE A 34 1.615 0.845 3.122 1.00 11.54 C ATOM 533 CG1 ILE A 34 1.141 -0.552 2.720 1.00 45.30 C ATOM 534 CG2 ILE A 34 0.726 1.912 2.501 1.00 22.04 C ATOM 535 CD1 ILE A 34 -0.220 -0.910 3.274 1.00 62.31 C ATOM 0 H ILE A 34 3.486 -0.603 3.912 1.00 62.35 H new ATOM 0 HA ILE A 34 3.163 0.898 1.621 1.00 14.42 H new ATOM 0 HB ILE A 34 1.550 0.932 4.207 1.00 11.54 H new ATOM 0 HG12 ILE A 34 1.111 -0.618 1.632 1.00 45.30 H new ATOM 0 HG13 ILE A 34 1.869 -1.287 3.063 1.00 45.30 H new ATOM 0 HG21 ILE A 34 -0.307 1.751 2.810 1.00 22.04 H new ATOM 0 HG22 ILE A 34 1.054 2.897 2.832 1.00 22.04 H new ATOM 0 HG23 ILE A 34 0.792 1.854 1.415 1.00 22.04 H new ATOM 0 HD11 ILE A 34 -0.493 -1.914 2.949 1.00 62.31 H new ATOM 0 HD12 ILE A 34 -0.190 -0.877 4.363 1.00 62.31 H new ATOM 0 HD13 ILE A 34 -0.960 -0.197 2.910 1.00 62.31 H new ATOM 547 N VAL A 35 3.512 2.800 4.325 1.00 44.40 N ATOM 548 CA VAL A 35 3.893 4.132 4.781 1.00 53.10 C ATOM 549 C VAL A 35 5.260 4.529 4.234 1.00 53.42 C ATOM 550 O VAL A 35 5.423 5.609 3.667 1.00 51.44 O ATOM 551 CB VAL A 35 3.925 4.211 6.319 1.00 23.22 C ATOM 552 CG1 VAL A 35 4.401 5.582 6.774 1.00 4.01 C ATOM 553 CG2 VAL A 35 2.554 3.895 6.896 1.00 61.52 C ATOM 0 H VAL A 35 3.266 2.152 5.073 1.00 44.40 H new ATOM 0 HA VAL A 35 3.139 4.824 4.405 1.00 53.10 H new ATOM 0 HB VAL A 35 4.631 3.467 6.689 1.00 23.22 H new ATOM 0 HG11 VAL A 35 4.417 5.619 7.863 1.00 4.01 H new ATOM 0 HG12 VAL A 35 5.405 5.765 6.390 1.00 4.01 H new ATOM 0 HG13 VAL A 35 3.723 6.347 6.395 1.00 4.01 H new ATOM 0 HG21 VAL A 35 2.594 3.955 7.984 1.00 61.52 H new ATOM 0 HG22 VAL A 35 1.826 4.614 6.519 1.00 61.52 H new ATOM 0 HG23 VAL A 35 2.257 2.889 6.599 1.00 61.52 H new ATOM 563 N TRP A 36 6.239 3.648 4.408 1.00 44.15 N ATOM 564 CA TRP A 36 7.593 3.907 3.932 1.00 53.41 C ATOM 565 C TRP A 36 7.589 4.265 2.450 1.00 72.21 C ATOM 566 O TRP A 36 8.515 4.907 1.955 1.00 31.45 O ATOM 567 CB TRP A 36 8.482 2.687 4.173 1.00 22.42 C ATOM 568 CG TRP A 36 9.857 2.829 3.592 1.00 62.14 C ATOM 569 CD1 TRP A 36 10.978 3.267 4.238 1.00 60.32 C ATOM 570 CD2 TRP A 36 10.255 2.535 2.249 1.00 11.12 C ATOM 571 NE1 TRP A 36 12.049 3.263 3.378 1.00 23.44 N ATOM 572 CE2 TRP A 36 11.632 2.817 2.151 1.00 22.33 C ATOM 573 CE3 TRP A 36 9.583 2.060 1.120 1.00 23.42 C ATOM 574 CZ2 TRP A 36 12.345 2.640 0.969 1.00 21.35 C ATOM 575 CZ3 TRP A 36 10.293 1.884 -0.053 1.00 64.41 C ATOM 576 CH2 TRP A 36 11.662 2.173 -0.121 1.00 34.45 C ATOM 0 H TRP A 36 6.121 2.749 4.875 1.00 44.15 H new ATOM 0 HA TRP A 36 7.993 4.754 4.490 1.00 53.41 H new ATOM 0 HB2 TRP A 36 8.565 2.513 5.246 1.00 22.42 H new ATOM 0 HB3 TRP A 36 8.003 1.807 3.744 1.00 22.42 H new ATOM 0 HD1 TRP A 36 11.017 3.572 5.273 1.00 60.32 H new ATOM 0 HE1 TRP A 36 13.000 3.546 3.614 1.00 23.44 H new ATOM 0 HE3 TRP A 36 8.528 1.834 1.163 1.00 23.42 H new ATOM 0 HZ2 TRP A 36 13.400 2.863 0.914 1.00 21.35 H new ATOM 0 HZ3 TRP A 36 9.784 1.517 -0.932 1.00 64.41 H new ATOM 0 HH2 TRP A 36 12.189 2.024 -1.052 1.00 34.45 H new ATOM 587 N ALA A 37 6.542 3.846 1.747 1.00 64.51 N ATOM 588 CA ALA A 37 6.418 4.124 0.322 1.00 32.22 C ATOM 589 C ALA A 37 5.645 5.417 0.080 1.00 61.42 C ATOM 590 O ALA A 37 6.093 6.288 -0.665 1.00 41.14 O ATOM 591 CB ALA A 37 5.739 2.961 -0.387 1.00 55.53 C ATOM 0 H ALA A 37 5.767 3.313 2.142 1.00 64.51 H new ATOM 0 HA ALA A 37 7.421 4.248 -0.087 1.00 32.22 H new ATOM 0 HB1 ALA A 37 5.653 3.183 -1.451 1.00 55.53 H new ATOM 0 HB2 ALA A 37 6.332 2.056 -0.252 1.00 55.53 H new ATOM 0 HB3 ALA A 37 4.745 2.809 0.033 1.00 55.53 H new ATOM 597 N SER A 38 4.482 5.533 0.714 1.00 13.14 N ATOM 598 CA SER A 38 3.645 6.717 0.563 1.00 73.14 C ATOM 599 C SER A 38 4.399 7.973 0.990 1.00 52.53 C ATOM 600 O SER A 38 4.251 9.035 0.386 1.00 1.40 O ATOM 601 CB SER A 38 2.366 6.571 1.390 1.00 25.15 C ATOM 602 OG SER A 38 2.425 7.358 2.566 1.00 53.33 O ATOM 0 H SER A 38 4.099 4.822 1.337 1.00 13.14 H new ATOM 0 HA SER A 38 3.380 6.813 -0.490 1.00 73.14 H new ATOM 0 HB2 SER A 38 1.506 6.871 0.791 1.00 25.15 H new ATOM 0 HB3 SER A 38 2.219 5.524 1.656 1.00 25.15 H new ATOM 0 HG SER A 38 1.595 7.248 3.075 1.00 53.33 H new ATOM 608 N ARG A 39 5.208 7.842 2.038 1.00 3.53 N ATOM 609 CA ARG A 39 5.984 8.966 2.547 1.00 15.33 C ATOM 610 C ARG A 39 7.103 9.339 1.578 1.00 64.30 C ATOM 611 O ARG A 39 7.717 10.397 1.702 1.00 1.24 O ATOM 612 CB ARG A 39 6.575 8.627 3.917 1.00 71.43 C ATOM 613 CG ARG A 39 7.292 9.792 4.578 1.00 1.34 C ATOM 614 CD ARG A 39 7.717 9.452 5.998 1.00 1.32 C ATOM 615 NE ARG A 39 7.114 10.349 6.980 1.00 21.05 N ATOM 616 CZ ARG A 39 7.473 10.388 8.258 1.00 43.02 C ATOM 617 NH1 ARG A 39 8.426 9.584 8.706 1.00 55.04 N ATOM 618 NH2 ARG A 39 6.876 11.232 9.090 1.00 74.03 N ATOM 0 H ARG A 39 5.342 6.970 2.550 1.00 3.53 H new ATOM 0 HA ARG A 39 5.314 9.820 2.648 1.00 15.33 H new ATOM 0 HB2 ARG A 39 5.775 8.285 4.573 1.00 71.43 H new ATOM 0 HB3 ARG A 39 7.273 7.798 3.806 1.00 71.43 H new ATOM 0 HG2 ARG A 39 8.169 10.062 3.990 1.00 1.34 H new ATOM 0 HG3 ARG A 39 6.637 10.663 4.592 1.00 1.34 H new ATOM 0 HD2 ARG A 39 7.434 8.424 6.225 1.00 1.32 H new ATOM 0 HD3 ARG A 39 8.803 9.508 6.075 1.00 1.32 H new ATOM 0 HE ARG A 39 6.376 10.980 6.667 1.00 21.05 H new ATOM 0 HH11 ARG A 39 8.886 8.933 8.069 1.00 55.04 H new ATOM 0 HH12 ARG A 39 8.700 9.616 9.688 1.00 55.04 H new ATOM 0 HH21 ARG A 39 6.141 11.851 8.748 1.00 74.03 H new ATOM 0 HH22 ARG A 39 7.152 11.262 10.071 1.00 74.03 H new ATOM 632 N GLU A 40 7.361 8.460 0.614 1.00 1.11 N ATOM 633 CA GLU A 40 8.406 8.697 -0.375 1.00 72.40 C ATOM 634 C GLU A 40 7.846 9.420 -1.595 1.00 33.03 C ATOM 635 O GLU A 40 8.481 10.323 -2.142 1.00 73.51 O ATOM 636 CB GLU A 40 9.045 7.373 -0.801 1.00 1.20 C ATOM 637 CG GLU A 40 10.490 7.511 -1.249 1.00 51.02 C ATOM 638 CD GLU A 40 11.361 8.188 -0.209 1.00 72.41 C ATOM 639 OE1 GLU A 40 11.467 9.431 -0.243 1.00 14.44 O ATOM 640 OE2 GLU A 40 11.937 7.475 0.640 1.00 20.23 O ATOM 0 H GLU A 40 6.861 7.579 0.497 1.00 1.11 H new ATOM 0 HA GLU A 40 9.167 9.329 0.082 1.00 72.40 H new ATOM 0 HB2 GLU A 40 8.997 6.672 0.032 1.00 1.20 H new ATOM 0 HB3 GLU A 40 8.461 6.942 -1.614 1.00 1.20 H new ATOM 0 HG2 GLU A 40 10.894 6.523 -1.469 1.00 51.02 H new ATOM 0 HG3 GLU A 40 10.526 8.083 -2.176 1.00 51.02 H new ATOM 647 N LEU A 41 6.653 9.018 -2.019 1.00 12.12 N ATOM 648 CA LEU A 41 6.006 9.627 -3.176 1.00 22.31 C ATOM 649 C LEU A 41 5.965 11.145 -3.040 1.00 14.03 C ATOM 650 O LEU A 41 6.266 11.870 -3.988 1.00 41.42 O ATOM 651 CB LEU A 41 4.586 9.080 -3.338 1.00 73.32 C ATOM 652 CG LEU A 41 4.475 7.590 -3.663 1.00 62.34 C ATOM 653 CD1 LEU A 41 3.035 7.120 -3.528 1.00 41.21 C ATOM 654 CD2 LEU A 41 5.001 7.307 -5.063 1.00 4.41 C ATOM 0 H LEU A 41 6.114 8.273 -1.579 1.00 12.12 H new ATOM 0 HA LEU A 41 6.589 9.375 -4.062 1.00 22.31 H new ATOM 0 HB2 LEU A 41 4.036 9.273 -2.417 1.00 73.32 H new ATOM 0 HB3 LEU A 41 4.089 9.642 -4.129 1.00 73.32 H new ATOM 0 HG LEU A 41 5.085 7.037 -2.949 1.00 62.34 H new ATOM 0 HD11 LEU A 41 2.976 6.057 -3.763 1.00 41.21 H new ATOM 0 HD12 LEU A 41 2.693 7.285 -2.506 1.00 41.21 H new ATOM 0 HD13 LEU A 41 2.403 7.680 -4.218 1.00 41.21 H new ATOM 0 HD21 LEU A 41 4.914 6.242 -5.276 1.00 4.41 H new ATOM 0 HD22 LEU A 41 4.419 7.872 -5.791 1.00 4.41 H new ATOM 0 HD23 LEU A 41 6.048 7.605 -5.126 1.00 4.41 H new ATOM 666 N GLU A 42 5.593 11.619 -1.855 1.00 21.21 N ATOM 667 CA GLU A 42 5.515 13.052 -1.596 1.00 11.13 C ATOM 668 C GLU A 42 6.815 13.747 -1.989 1.00 5.40 C ATOM 669 O GLU A 42 6.801 14.865 -2.506 1.00 21.33 O ATOM 670 CB GLU A 42 5.212 13.309 -0.118 1.00 2.30 C ATOM 671 CG GLU A 42 3.878 13.996 0.119 1.00 44.10 C ATOM 672 CD GLU A 42 3.205 13.536 1.397 1.00 42.23 C ATOM 673 OE1 GLU A 42 3.289 12.330 1.711 1.00 2.22 O ATOM 674 OE2 GLU A 42 2.594 14.381 2.084 1.00 44.53 O ATOM 0 H GLU A 42 5.341 11.032 -1.060 1.00 21.21 H new ATOM 0 HA GLU A 42 4.707 13.462 -2.202 1.00 11.13 H new ATOM 0 HB2 GLU A 42 5.222 12.359 0.417 1.00 2.30 H new ATOM 0 HB3 GLU A 42 6.007 13.922 0.306 1.00 2.30 H new ATOM 0 HG2 GLU A 42 4.031 15.074 0.161 1.00 44.10 H new ATOM 0 HG3 GLU A 42 3.218 13.801 -0.726 1.00 44.10 H new ATOM 681 N ARG A 43 7.935 13.079 -1.740 1.00 53.14 N ATOM 682 CA ARG A 43 9.244 13.633 -2.066 1.00 41.11 C ATOM 683 C ARG A 43 9.592 13.381 -3.530 1.00 40.20 C ATOM 684 O ARG A 43 10.419 14.083 -4.112 1.00 4.22 O ATOM 685 CB ARG A 43 10.319 13.023 -1.163 1.00 2.43 C ATOM 686 CG ARG A 43 11.303 14.043 -0.614 1.00 3.30 C ATOM 687 CD ARG A 43 12.487 14.235 -1.549 1.00 64.22 C ATOM 688 NE ARG A 43 13.240 12.998 -1.739 1.00 13.34 N ATOM 689 CZ ARG A 43 14.087 12.510 -0.841 1.00 35.52 C ATOM 690 NH1 ARG A 43 14.288 13.148 0.304 1.00 42.11 N ATOM 691 NH2 ARG A 43 14.737 11.378 -1.087 1.00 41.33 N ATOM 0 H ARG A 43 7.963 12.153 -1.313 1.00 53.14 H new ATOM 0 HA ARG A 43 9.207 14.710 -1.899 1.00 41.11 H new ATOM 0 HB2 ARG A 43 9.835 12.512 -0.330 1.00 2.43 H new ATOM 0 HB3 ARG A 43 10.868 12.267 -1.725 1.00 2.43 H new ATOM 0 HG2 ARG A 43 10.796 14.997 -0.467 1.00 3.30 H new ATOM 0 HG3 ARG A 43 11.659 13.717 0.363 1.00 3.30 H new ATOM 0 HD2 ARG A 43 12.132 14.595 -2.515 1.00 64.22 H new ATOM 0 HD3 ARG A 43 13.147 15.003 -1.145 1.00 64.22 H new ATOM 0 HE ARG A 43 13.108 12.481 -2.608 1.00 13.34 H new ATOM 0 HH11 ARG A 43 13.791 14.017 0.498 1.00 42.11 H new ATOM 0 HH12 ARG A 43 14.940 12.769 0.991 1.00 42.11 H new ATOM 0 HH21 ARG A 43 14.585 10.884 -1.966 1.00 41.33 H new ATOM 0 HH22 ARG A 43 15.388 11.003 -0.397 1.00 41.33 H new ATOM 705 N PHE A 44 8.956 12.374 -4.120 1.00 43.24 N ATOM 706 CA PHE A 44 9.198 12.028 -5.515 1.00 52.11 C ATOM 707 C PHE A 44 8.236 12.773 -6.435 1.00 10.42 C ATOM 708 O PHE A 44 7.931 12.314 -7.536 1.00 63.02 O ATOM 709 CB PHE A 44 9.053 10.519 -5.721 1.00 31.11 C ATOM 710 CG PHE A 44 10.308 9.749 -5.422 1.00 52.40 C ATOM 711 CD1 PHE A 44 10.941 9.881 -4.197 1.00 62.20 C ATOM 712 CD2 PHE A 44 10.855 8.897 -6.367 1.00 21.32 C ATOM 713 CE1 PHE A 44 12.096 9.173 -3.918 1.00 42.42 C ATOM 714 CE2 PHE A 44 12.009 8.187 -6.094 1.00 75.54 C ATOM 715 CZ PHE A 44 12.631 8.326 -4.868 1.00 61.01 C ATOM 0 H PHE A 44 8.268 11.783 -3.653 1.00 43.24 H new ATOM 0 HA PHE A 44 10.216 12.326 -5.766 1.00 52.11 H new ATOM 0 HB2 PHE A 44 8.249 10.149 -5.084 1.00 31.11 H new ATOM 0 HB3 PHE A 44 8.756 10.328 -6.752 1.00 31.11 H new ATOM 0 HD1 PHE A 44 10.528 10.544 -3.451 1.00 62.20 H new ATOM 0 HD2 PHE A 44 10.375 8.786 -7.328 1.00 21.32 H new ATOM 0 HE1 PHE A 44 12.579 9.283 -2.958 1.00 42.42 H new ATOM 0 HE2 PHE A 44 12.424 7.524 -6.838 1.00 75.54 H new ATOM 0 HZ PHE A 44 13.534 7.773 -4.653 1.00 61.01 H new ATOM 725 N ALA A 45 7.761 13.927 -5.976 1.00 31.11 N ATOM 726 CA ALA A 45 6.835 14.737 -6.757 1.00 1.12 C ATOM 727 C ALA A 45 5.579 13.948 -7.110 1.00 21.52 C ATOM 728 O ALA A 45 4.852 14.301 -8.039 1.00 1.54 O ATOM 729 CB ALA A 45 7.514 15.246 -8.020 1.00 33.52 C ATOM 0 H ALA A 45 8.003 14.321 -5.067 1.00 31.11 H new ATOM 0 HA ALA A 45 6.537 15.591 -6.149 1.00 1.12 H new ATOM 0 HB1 ALA A 45 6.810 15.849 -8.593 1.00 33.52 H new ATOM 0 HB2 ALA A 45 8.377 15.854 -7.749 1.00 33.52 H new ATOM 0 HB3 ALA A 45 7.842 14.399 -8.623 1.00 33.52 H new ATOM 735 N VAL A 46 5.329 12.876 -6.365 1.00 63.40 N ATOM 736 CA VAL A 46 4.161 12.036 -6.600 1.00 42.33 C ATOM 737 C VAL A 46 3.185 12.113 -5.431 1.00 5.41 C ATOM 738 O VAL A 46 3.572 11.954 -4.274 1.00 22.02 O ATOM 739 CB VAL A 46 4.562 10.566 -6.823 1.00 3.31 C ATOM 740 CG1 VAL A 46 3.328 9.677 -6.869 1.00 24.22 C ATOM 741 CG2 VAL A 46 5.379 10.425 -8.099 1.00 2.40 C ATOM 0 H VAL A 46 5.920 12.569 -5.593 1.00 63.40 H new ATOM 0 HA VAL A 46 3.676 12.413 -7.501 1.00 42.33 H new ATOM 0 HB VAL A 46 5.181 10.245 -5.985 1.00 3.31 H new ATOM 0 HG11 VAL A 46 3.631 8.642 -7.027 1.00 24.22 H new ATOM 0 HG12 VAL A 46 2.787 9.757 -5.926 1.00 24.22 H new ATOM 0 HG13 VAL A 46 2.681 9.995 -7.687 1.00 24.22 H new ATOM 0 HG21 VAL A 46 5.654 9.380 -8.241 1.00 2.40 H new ATOM 0 HG22 VAL A 46 4.787 10.763 -8.949 1.00 2.40 H new ATOM 0 HG23 VAL A 46 6.282 11.031 -8.022 1.00 2.40 H new ATOM 751 N ASN A 47 1.916 12.359 -5.741 1.00 22.11 N ATOM 752 CA ASN A 47 0.883 12.457 -4.716 1.00 13.11 C ATOM 753 C ASN A 47 0.622 11.097 -4.075 1.00 31.13 C ATOM 754 O ASN A 47 0.517 10.074 -4.752 1.00 54.50 O ATOM 755 CB ASN A 47 -0.411 13.007 -5.318 1.00 23.43 C ATOM 756 CG ASN A 47 -0.493 14.519 -5.232 1.00 15.32 C ATOM 757 OD1 ASN A 47 -0.709 15.081 -4.158 1.00 33.32 O ATOM 758 ND2 ASN A 47 -0.318 15.186 -6.367 1.00 12.42 N ATOM 0 H ASN A 47 1.578 12.494 -6.694 1.00 22.11 H new ATOM 0 HA ASN A 47 1.236 13.141 -3.944 1.00 13.11 H new ATOM 0 HB2 ASN A 47 -0.481 12.701 -6.362 1.00 23.43 H new ATOM 0 HB3 ASN A 47 -1.264 12.570 -4.799 1.00 23.43 H new ATOM 0 HD21 ASN A 47 -0.360 16.205 -6.371 1.00 12.42 H new ATOM 0 HD22 ASN A 47 -0.141 14.679 -7.234 1.00 12.42 H new ATOM 765 N PRO A 48 0.512 11.085 -2.738 1.00 30.21 N ATOM 766 CA PRO A 48 0.260 9.858 -1.976 1.00 31.41 C ATOM 767 C PRO A 48 -1.150 9.319 -2.195 1.00 13.40 C ATOM 768 O PRO A 48 -1.496 8.244 -1.706 1.00 32.14 O ATOM 769 CB PRO A 48 0.445 10.299 -0.522 1.00 2.32 C ATOM 770 CG PRO A 48 0.158 11.762 -0.531 1.00 21.41 C ATOM 771 CD PRO A 48 0.625 12.267 -1.868 1.00 21.32 C ATOM 0 HA PRO A 48 0.924 9.047 -2.277 1.00 31.41 H new ATOM 0 HB2 PRO A 48 -0.235 9.766 0.143 1.00 2.32 H new ATOM 0 HB3 PRO A 48 1.457 10.096 -0.172 1.00 2.32 H new ATOM 0 HG2 PRO A 48 -0.906 11.952 -0.392 1.00 21.41 H new ATOM 0 HG3 PRO A 48 0.681 12.267 0.281 1.00 21.41 H new ATOM 0 HD2 PRO A 48 0.006 13.090 -2.225 1.00 21.32 H new ATOM 0 HD3 PRO A 48 1.650 12.636 -1.823 1.00 21.32 H new ATOM 779 N GLY A 49 -1.959 10.073 -2.933 1.00 74.32 N ATOM 780 CA GLY A 49 -3.321 9.654 -3.204 1.00 63.04 C ATOM 781 C GLY A 49 -3.412 8.698 -4.376 1.00 0.50 C ATOM 782 O GLY A 49 -4.495 8.215 -4.711 1.00 72.31 O ATOM 0 H GLY A 49 -1.695 10.967 -3.348 1.00 74.32 H new ATOM 0 HA2 GLY A 49 -3.734 9.175 -2.316 1.00 63.04 H new ATOM 0 HA3 GLY A 49 -3.934 10.532 -3.407 1.00 63.04 H new ATOM 786 N LEU A 50 -2.274 8.425 -5.005 1.00 51.55 N ATOM 787 CA LEU A 50 -2.229 7.523 -6.149 1.00 30.23 C ATOM 788 C LEU A 50 -1.923 6.096 -5.706 1.00 52.32 C ATOM 789 O LEU A 50 -1.392 5.295 -6.476 1.00 21.32 O ATOM 790 CB LEU A 50 -1.177 7.994 -7.155 1.00 74.24 C ATOM 791 CG LEU A 50 -1.105 9.503 -7.394 1.00 33.45 C ATOM 792 CD1 LEU A 50 0.180 9.866 -8.121 1.00 12.11 C ATOM 793 CD2 LEU A 50 -2.318 9.976 -8.181 1.00 72.52 C ATOM 0 H LEU A 50 -1.370 8.816 -4.741 1.00 51.55 H new ATOM 0 HA LEU A 50 -3.209 7.533 -6.626 1.00 30.23 H new ATOM 0 HB2 LEU A 50 -0.199 7.653 -6.814 1.00 74.24 H new ATOM 0 HB3 LEU A 50 -1.371 7.504 -8.109 1.00 74.24 H new ATOM 0 HG LEU A 50 -1.106 10.006 -6.427 1.00 33.45 H new ATOM 0 HD11 LEU A 50 0.215 10.943 -8.283 1.00 12.11 H new ATOM 0 HD12 LEU A 50 1.037 9.562 -7.520 1.00 12.11 H new ATOM 0 HD13 LEU A 50 0.211 9.354 -9.083 1.00 12.11 H new ATOM 0 HD21 LEU A 50 -2.250 11.052 -8.342 1.00 72.52 H new ATOM 0 HD22 LEU A 50 -2.348 9.466 -9.144 1.00 72.52 H new ATOM 0 HD23 LEU A 50 -3.226 9.749 -7.622 1.00 72.52 H new ATOM 805 N LEU A 51 -2.262 5.784 -4.459 1.00 13.24 N ATOM 806 CA LEU A 51 -2.025 4.453 -3.913 1.00 70.52 C ATOM 807 C LEU A 51 -3.337 3.789 -3.507 1.00 60.25 C ATOM 808 O LEU A 51 -3.388 2.580 -3.283 1.00 24.23 O ATOM 809 CB LEU A 51 -1.086 4.534 -2.708 1.00 60.54 C ATOM 810 CG LEU A 51 0.210 5.317 -2.919 1.00 53.32 C ATOM 811 CD1 LEU A 51 0.971 5.452 -1.609 1.00 32.30 C ATOM 812 CD2 LEU A 51 1.075 4.643 -3.974 1.00 55.04 C ATOM 0 H LEU A 51 -2.702 6.435 -3.808 1.00 13.24 H new ATOM 0 HA LEU A 51 -1.558 3.847 -4.689 1.00 70.52 H new ATOM 0 HB2 LEU A 51 -1.630 4.987 -1.879 1.00 60.54 H new ATOM 0 HB3 LEU A 51 -0.829 3.519 -2.404 1.00 60.54 H new ATOM 0 HG LEU A 51 -0.045 6.316 -3.272 1.00 53.32 H new ATOM 0 HD11 LEU A 51 1.891 6.012 -1.778 1.00 32.30 H new ATOM 0 HD12 LEU A 51 0.353 5.980 -0.882 1.00 32.30 H new ATOM 0 HD13 LEU A 51 1.215 4.461 -1.226 1.00 32.30 H new ATOM 0 HD21 LEU A 51 1.993 5.214 -4.111 1.00 55.04 H new ATOM 0 HD22 LEU A 51 1.322 3.632 -3.651 1.00 55.04 H new ATOM 0 HD23 LEU A 51 0.531 4.600 -4.917 1.00 55.04 H new ATOM 824 N GLU A 52 -4.394 4.589 -3.414 1.00 50.11 N ATOM 825 CA GLU A 52 -5.707 4.079 -3.036 1.00 54.02 C ATOM 826 C GLU A 52 -6.417 3.459 -4.236 1.00 74.20 C ATOM 827 O GLU A 52 -7.225 2.542 -4.088 1.00 1.44 O ATOM 828 CB GLU A 52 -6.564 5.200 -2.445 1.00 22.12 C ATOM 829 CG GLU A 52 -6.653 6.430 -3.333 1.00 42.30 C ATOM 830 CD GLU A 52 -7.995 7.129 -3.230 1.00 32.40 C ATOM 831 OE1 GLU A 52 -8.974 6.619 -3.813 1.00 21.12 O ATOM 832 OE2 GLU A 52 -8.064 8.185 -2.568 1.00 64.25 O ATOM 0 H GLU A 52 -4.367 5.592 -3.595 1.00 50.11 H new ATOM 0 HA GLU A 52 -5.564 3.305 -2.282 1.00 54.02 H new ATOM 0 HB2 GLU A 52 -7.569 4.820 -2.263 1.00 22.12 H new ATOM 0 HB3 GLU A 52 -6.153 5.489 -1.478 1.00 22.12 H new ATOM 0 HG2 GLU A 52 -5.862 7.128 -3.060 1.00 42.30 H new ATOM 0 HG3 GLU A 52 -6.478 6.139 -4.369 1.00 42.30 H new ATOM 839 N THR A 53 -6.108 3.967 -5.425 1.00 63.41 N ATOM 840 CA THR A 53 -6.716 3.465 -6.651 1.00 70.13 C ATOM 841 C THR A 53 -5.681 2.790 -7.543 1.00 74.12 C ATOM 842 O THR A 53 -4.545 3.253 -7.651 1.00 72.22 O ATOM 843 CB THR A 53 -7.399 4.597 -7.443 1.00 75.43 C ATOM 844 OG1 THR A 53 -6.482 5.153 -8.392 1.00 43.04 O ATOM 845 CG2 THR A 53 -7.894 5.689 -6.507 1.00 75.24 C ATOM 0 H THR A 53 -5.440 4.725 -5.565 1.00 63.41 H new ATOM 0 HA THR A 53 -7.467 2.733 -6.354 1.00 70.13 H new ATOM 0 HB THR A 53 -8.256 4.177 -7.970 1.00 75.43 H new ATOM 0 HG1 THR A 53 -6.924 5.870 -8.892 1.00 43.04 H new ATOM 0 HG21 THR A 53 -8.372 6.477 -7.088 1.00 75.24 H new ATOM 0 HG22 THR A 53 -8.614 5.268 -5.805 1.00 75.24 H new ATOM 0 HG23 THR A 53 -7.051 6.106 -5.956 1.00 75.24 H new ATOM 853 N SER A 54 -6.079 1.694 -8.180 1.00 63.22 N ATOM 854 CA SER A 54 -5.183 0.953 -9.061 1.00 11.21 C ATOM 855 C SER A 54 -4.623 1.859 -10.152 1.00 13.40 C ATOM 856 O SER A 54 -3.477 1.705 -10.573 1.00 55.33 O ATOM 857 CB SER A 54 -5.919 -0.230 -9.693 1.00 73.31 C ATOM 858 OG SER A 54 -5.108 -1.392 -9.696 1.00 35.35 O ATOM 0 H SER A 54 -7.016 1.299 -8.103 1.00 63.22 H new ATOM 0 HA SER A 54 -4.353 0.578 -8.463 1.00 11.21 H new ATOM 0 HB2 SER A 54 -6.839 -0.426 -9.142 1.00 73.31 H new ATOM 0 HB3 SER A 54 -6.206 0.020 -10.714 1.00 73.31 H new ATOM 0 HG SER A 54 -4.282 -1.213 -10.192 1.00 35.35 H new ATOM 864 N GLU A 55 -5.440 2.804 -10.607 1.00 44.55 N ATOM 865 CA GLU A 55 -5.026 3.735 -11.649 1.00 60.01 C ATOM 866 C GLU A 55 -3.853 4.591 -11.181 1.00 51.23 C ATOM 867 O GLU A 55 -2.970 4.936 -11.964 1.00 41.52 O ATOM 868 CB GLU A 55 -6.196 4.633 -12.057 1.00 42.14 C ATOM 869 CG GLU A 55 -6.824 4.249 -13.386 1.00 14.34 C ATOM 870 CD GLU A 55 -5.920 4.552 -14.567 1.00 61.52 C ATOM 871 OE1 GLU A 55 -5.439 5.699 -14.668 1.00 72.23 O ATOM 872 OE2 GLU A 55 -5.695 3.639 -15.389 1.00 0.32 O ATOM 0 H GLU A 55 -6.392 2.945 -10.270 1.00 44.55 H new ATOM 0 HA GLU A 55 -4.706 3.153 -12.513 1.00 60.01 H new ATOM 0 HB2 GLU A 55 -6.959 4.596 -11.280 1.00 42.14 H new ATOM 0 HB3 GLU A 55 -5.849 5.665 -12.114 1.00 42.14 H new ATOM 0 HG2 GLU A 55 -7.061 3.185 -13.378 1.00 14.34 H new ATOM 0 HG3 GLU A 55 -7.766 4.784 -13.507 1.00 14.34 H new ATOM 879 N GLY A 56 -3.852 4.932 -9.895 1.00 44.01 N ATOM 880 CA GLY A 56 -2.785 5.745 -9.343 1.00 10.23 C ATOM 881 C GLY A 56 -1.421 5.113 -9.528 1.00 55.44 C ATOM 882 O GLY A 56 -0.474 5.777 -9.953 1.00 20.35 O ATOM 0 H GLY A 56 -4.572 4.659 -9.226 1.00 44.01 H new ATOM 0 HA2 GLY A 56 -2.796 6.725 -9.819 1.00 10.23 H new ATOM 0 HA3 GLY A 56 -2.967 5.905 -8.280 1.00 10.23 H new ATOM 886 N CYS A 57 -1.317 3.829 -9.205 1.00 14.13 N ATOM 887 CA CYS A 57 -0.055 3.108 -9.335 1.00 30.11 C ATOM 888 C CYS A 57 0.447 3.147 -10.775 1.00 53.22 C ATOM 889 O CYS A 57 1.632 3.375 -11.023 1.00 3.14 O ATOM 890 CB CYS A 57 -0.225 1.657 -8.881 1.00 34.22 C ATOM 891 SG CYS A 57 0.193 1.374 -7.145 1.00 31.43 S ATOM 0 H CYS A 57 -2.090 3.266 -8.851 1.00 14.13 H new ATOM 0 HA CYS A 57 0.683 3.597 -8.699 1.00 30.11 H new ATOM 0 HB2 CYS A 57 -1.258 1.354 -9.049 1.00 34.22 H new ATOM 0 HB3 CYS A 57 0.400 1.017 -9.503 1.00 34.22 H new ATOM 0 HG CYS A 57 1.045 0.396 -7.058 1.00 31.43 H new ATOM 897 N ARG A 58 -0.460 2.923 -11.719 1.00 34.32 N ATOM 898 CA ARG A 58 -0.107 2.929 -13.135 1.00 42.35 C ATOM 899 C ARG A 58 0.712 4.168 -13.484 1.00 52.20 C ATOM 900 O ARG A 58 1.583 4.122 -14.353 1.00 42.33 O ATOM 901 CB ARG A 58 -1.370 2.881 -13.996 1.00 3.10 C ATOM 902 CG ARG A 58 -1.425 1.681 -14.928 1.00 31.22 C ATOM 903 CD ARG A 58 -1.388 2.107 -16.387 1.00 24.21 C ATOM 904 NE ARG A 58 -2.000 1.112 -17.263 1.00 4.43 N ATOM 905 CZ ARG A 58 -3.313 0.949 -17.386 1.00 3.03 C ATOM 906 NH1 ARG A 58 -4.147 1.712 -16.692 1.00 0.43 N ATOM 907 NH2 ARG A 58 -3.795 0.022 -18.204 1.00 33.23 N ATOM 0 H ARG A 58 -1.445 2.735 -11.530 1.00 34.32 H new ATOM 0 HA ARG A 58 0.497 2.045 -13.338 1.00 42.35 H new ATOM 0 HB2 ARG A 58 -2.244 2.865 -13.344 1.00 3.10 H new ATOM 0 HB3 ARG A 58 -1.431 3.794 -14.588 1.00 3.10 H new ATOM 0 HG2 ARG A 58 -0.585 1.018 -14.720 1.00 31.22 H new ATOM 0 HG3 ARG A 58 -2.335 1.112 -14.737 1.00 31.22 H new ATOM 0 HD2 ARG A 58 -1.908 3.058 -16.500 1.00 24.21 H new ATOM 0 HD3 ARG A 58 -0.354 2.271 -16.691 1.00 24.21 H new ATOM 0 HE ARG A 58 -1.386 0.509 -17.811 1.00 4.43 H new ATOM 0 HH11 ARG A 58 -3.781 2.426 -16.062 1.00 0.43 H new ATOM 0 HH12 ARG A 58 -5.154 1.585 -16.788 1.00 0.43 H new ATOM 0 HH21 ARG A 58 -3.157 -0.567 -18.740 1.00 33.23 H new ATOM 0 HH22 ARG A 58 -4.803 -0.102 -18.297 1.00 33.23 H new ATOM 921 N GLN A 59 0.427 5.272 -12.802 1.00 50.34 N ATOM 922 CA GLN A 59 1.138 6.523 -13.041 1.00 24.25 C ATOM 923 C GLN A 59 2.461 6.552 -12.283 1.00 4.41 C ATOM 924 O GLN A 59 3.456 7.085 -12.773 1.00 72.31 O ATOM 925 CB GLN A 59 0.272 7.713 -12.627 1.00 44.25 C ATOM 926 CG GLN A 59 0.207 8.812 -13.675 1.00 43.41 C ATOM 927 CD GLN A 59 -1.204 9.322 -13.900 1.00 53.12 C ATOM 928 OE1 GLN A 59 -1.677 9.392 -15.034 1.00 52.00 O ATOM 929 NE2 GLN A 59 -1.883 9.680 -12.817 1.00 63.50 N ATOM 0 H GLN A 59 -0.291 5.326 -12.080 1.00 50.34 H new ATOM 0 HA GLN A 59 1.351 6.592 -14.108 1.00 24.25 H new ATOM 0 HB2 GLN A 59 -0.738 7.361 -12.418 1.00 44.25 H new ATOM 0 HB3 GLN A 59 0.662 8.130 -11.699 1.00 44.25 H new ATOM 0 HG2 GLN A 59 0.844 9.641 -13.367 1.00 43.41 H new ATOM 0 HG3 GLN A 59 0.607 8.435 -14.616 1.00 43.41 H new ATOM 0 HE21 GLN A 59 -1.451 9.605 -11.896 1.00 63.50 H new ATOM 0 HE22 GLN A 59 -2.837 10.030 -12.906 1.00 63.50 H new ATOM 938 N ILE A 60 2.462 5.977 -11.085 1.00 30.41 N ATOM 939 CA ILE A 60 3.663 5.937 -10.259 1.00 70.30 C ATOM 940 C ILE A 60 4.725 5.034 -10.877 1.00 42.12 C ATOM 941 O ILE A 60 5.831 5.479 -11.185 1.00 13.33 O ATOM 942 CB ILE A 60 3.350 5.441 -8.835 1.00 41.40 C ATOM 943 CG1 ILE A 60 2.316 6.353 -8.170 1.00 31.03 C ATOM 944 CG2 ILE A 60 4.623 5.382 -8.003 1.00 51.31 C ATOM 945 CD1 ILE A 60 1.371 5.619 -7.244 1.00 32.33 C ATOM 0 H ILE A 60 1.646 5.533 -10.665 1.00 30.41 H new ATOM 0 HA ILE A 60 4.043 6.957 -10.205 1.00 70.30 H new ATOM 0 HB ILE A 60 2.934 4.436 -8.900 1.00 41.40 H new ATOM 0 HG12 ILE A 60 2.836 7.128 -7.606 1.00 31.03 H new ATOM 0 HG13 ILE A 60 1.736 6.856 -8.944 1.00 31.03 H new ATOM 0 HG21 ILE A 60 4.386 5.030 -6.999 1.00 51.31 H new ATOM 0 HG22 ILE A 60 5.331 4.697 -8.470 1.00 51.31 H new ATOM 0 HG23 ILE A 60 5.065 6.377 -7.943 1.00 51.31 H new ATOM 0 HD11 ILE A 60 0.666 6.327 -6.808 1.00 32.33 H new ATOM 0 HD12 ILE A 60 0.824 4.862 -7.807 1.00 32.33 H new ATOM 0 HD13 ILE A 60 1.941 5.138 -6.449 1.00 32.33 H new ATOM 957 N LEU A 61 4.382 3.763 -11.058 1.00 45.11 N ATOM 958 CA LEU A 61 5.305 2.796 -11.641 1.00 52.42 C ATOM 959 C LEU A 61 5.844 3.297 -12.978 1.00 65.41 C ATOM 960 O LEU A 61 7.007 3.077 -13.312 1.00 40.12 O ATOM 961 CB LEU A 61 4.610 1.448 -11.830 1.00 23.42 C ATOM 962 CG LEU A 61 4.247 0.694 -10.549 1.00 1.14 C ATOM 963 CD1 LEU A 61 2.869 0.065 -10.674 1.00 64.45 C ATOM 964 CD2 LEU A 61 5.294 -0.366 -10.240 1.00 15.41 C ATOM 0 H LEU A 61 3.471 3.378 -10.809 1.00 45.11 H new ATOM 0 HA LEU A 61 6.144 2.671 -10.956 1.00 52.42 H new ATOM 0 HB2 LEU A 61 3.697 1.610 -12.404 1.00 23.42 H new ATOM 0 HB3 LEU A 61 5.256 0.810 -12.433 1.00 23.42 H new ATOM 0 HG LEU A 61 4.225 1.406 -9.724 1.00 1.14 H new ATOM 0 HD11 LEU A 61 2.627 -0.467 -9.754 1.00 64.45 H new ATOM 0 HD12 LEU A 61 2.128 0.845 -10.848 1.00 64.45 H new ATOM 0 HD13 LEU A 61 2.863 -0.634 -11.510 1.00 64.45 H new ATOM 0 HD21 LEU A 61 5.020 -0.892 -9.326 1.00 15.41 H new ATOM 0 HD22 LEU A 61 5.348 -1.076 -11.065 1.00 15.41 H new ATOM 0 HD23 LEU A 61 6.266 0.110 -10.107 1.00 15.41 H new ATOM 976 N GLY A 62 4.987 3.970 -13.740 1.00 1.52 N ATOM 977 CA GLY A 62 5.396 4.493 -15.031 1.00 45.22 C ATOM 978 C GLY A 62 6.447 5.578 -14.912 1.00 53.23 C ATOM 979 O GLY A 62 7.373 5.645 -15.719 1.00 23.55 O ATOM 0 H GLY A 62 4.018 4.162 -13.487 1.00 1.52 H new ATOM 0 HA2 GLY A 62 5.787 3.679 -15.642 1.00 45.22 H new ATOM 0 HA3 GLY A 62 4.525 4.891 -15.550 1.00 45.22 H new ATOM 983 N GLN A 63 6.304 6.431 -13.903 1.00 65.02 N ATOM 984 CA GLN A 63 7.248 7.519 -13.682 1.00 12.33 C ATOM 985 C GLN A 63 8.593 6.984 -13.204 1.00 31.14 C ATOM 986 O GLN A 63 9.648 7.423 -13.666 1.00 22.32 O ATOM 987 CB GLN A 63 6.688 8.511 -12.661 1.00 23.14 C ATOM 988 CG GLN A 63 6.174 9.800 -13.282 1.00 33.15 C ATOM 989 CD GLN A 63 5.692 10.796 -12.246 1.00 72.30 C ATOM 990 OE1 GLN A 63 5.578 10.472 -11.064 1.00 73.05 O ATOM 991 NE2 GLN A 63 5.406 12.016 -12.685 1.00 73.21 N ATOM 0 H GLN A 63 5.543 6.389 -13.225 1.00 65.02 H new ATOM 0 HA GLN A 63 7.399 8.033 -14.631 1.00 12.33 H new ATOM 0 HB2 GLN A 63 5.877 8.034 -12.111 1.00 23.14 H new ATOM 0 HB3 GLN A 63 7.466 8.752 -11.937 1.00 23.14 H new ATOM 0 HG2 GLN A 63 6.967 10.254 -13.875 1.00 33.15 H new ATOM 0 HG3 GLN A 63 5.357 9.569 -13.966 1.00 33.15 H new ATOM 0 HE21 GLN A 63 5.515 12.241 -13.674 1.00 73.21 H new ATOM 0 HE22 GLN A 63 5.077 12.728 -12.033 1.00 73.21 H new ATOM 1000 N LEU A 64 8.550 6.035 -12.275 1.00 14.43 N ATOM 1001 CA LEU A 64 9.767 5.439 -11.734 1.00 53.51 C ATOM 1002 C LEU A 64 10.338 4.399 -12.692 1.00 63.45 C ATOM 1003 O LEU A 64 11.490 3.988 -12.561 1.00 0.24 O ATOM 1004 CB LEU A 64 9.482 4.797 -10.374 1.00 12.43 C ATOM 1005 CG LEU A 64 8.827 5.700 -9.329 1.00 53.41 C ATOM 1006 CD1 LEU A 64 8.280 4.873 -8.177 1.00 73.42 C ATOM 1007 CD2 LEU A 64 9.820 6.736 -8.821 1.00 71.11 C ATOM 0 H LEU A 64 7.686 5.662 -11.881 1.00 14.43 H new ATOM 0 HA LEU A 64 10.505 6.231 -11.608 1.00 53.51 H new ATOM 0 HB2 LEU A 64 8.839 3.931 -10.531 1.00 12.43 H new ATOM 0 HB3 LEU A 64 10.422 4.426 -9.966 1.00 12.43 H new ATOM 0 HG LEU A 64 7.995 6.224 -9.800 1.00 53.41 H new ATOM 0 HD11 LEU A 64 7.817 5.533 -7.443 1.00 73.42 H new ATOM 0 HD12 LEU A 64 7.536 4.171 -8.554 1.00 73.42 H new ATOM 0 HD13 LEU A 64 9.094 4.321 -7.707 1.00 73.42 H new ATOM 0 HD21 LEU A 64 9.336 7.370 -8.078 1.00 71.11 H new ATOM 0 HD22 LEU A 64 10.673 6.231 -8.367 1.00 71.11 H new ATOM 0 HD23 LEU A 64 10.163 7.350 -9.654 1.00 71.11 H new ATOM 1019 N GLN A 65 9.523 3.979 -13.655 1.00 71.14 N ATOM 1020 CA GLN A 65 9.948 2.987 -14.635 1.00 52.54 C ATOM 1021 C GLN A 65 11.250 3.410 -15.308 1.00 61.35 C ATOM 1022 O GLN A 65 12.267 2.720 -15.234 1.00 15.32 O ATOM 1023 CB GLN A 65 8.858 2.783 -15.689 1.00 13.10 C ATOM 1024 CG GLN A 65 8.316 1.363 -15.736 1.00 51.23 C ATOM 1025 CD GLN A 65 7.938 0.928 -17.138 1.00 54.53 C ATOM 1026 OE1 GLN A 65 6.772 0.657 -17.424 1.00 53.12 O ATOM 1027 NE2 GLN A 65 8.926 0.859 -18.023 1.00 52.30 N ATOM 0 H GLN A 65 8.566 4.310 -13.777 1.00 71.14 H new ATOM 0 HA GLN A 65 10.120 2.046 -14.112 1.00 52.54 H new ATOM 0 HB2 GLN A 65 8.036 3.470 -15.488 1.00 13.10 H new ATOM 0 HB3 GLN A 65 9.258 3.043 -16.669 1.00 13.10 H new ATOM 0 HG2 GLN A 65 9.065 0.679 -15.337 1.00 51.23 H new ATOM 0 HG3 GLN A 65 7.442 1.290 -15.089 1.00 51.23 H new ATOM 0 HE21 GLN A 65 9.879 1.093 -17.743 1.00 52.30 H new ATOM 0 HE22 GLN A 65 8.732 0.572 -18.983 1.00 52.30 H new ATOM 1036 N PRO A 66 11.220 4.570 -15.980 1.00 44.31 N ATOM 1037 CA PRO A 66 12.390 5.111 -16.679 1.00 40.13 C ATOM 1038 C PRO A 66 13.473 5.584 -15.715 1.00 22.31 C ATOM 1039 O PRO A 66 14.538 6.036 -16.137 1.00 42.55 O ATOM 1040 CB PRO A 66 11.819 6.294 -17.464 1.00 44.31 C ATOM 1041 CG PRO A 66 10.607 6.706 -16.701 1.00 62.00 C ATOM 1042 CD PRO A 66 10.042 5.444 -16.109 1.00 52.52 C ATOM 0 HA PRO A 66 12.874 4.361 -17.305 1.00 40.13 H new ATOM 0 HB2 PRO A 66 12.540 7.109 -17.532 1.00 44.31 H new ATOM 0 HB3 PRO A 66 11.566 6.007 -18.484 1.00 44.31 H new ATOM 0 HG2 PRO A 66 10.862 7.423 -15.921 1.00 62.00 H new ATOM 0 HG3 PRO A 66 9.881 7.190 -17.354 1.00 62.00 H new ATOM 0 HD2 PRO A 66 9.571 5.629 -15.143 1.00 52.52 H new ATOM 0 HD3 PRO A 66 9.283 5.002 -16.754 1.00 52.52 H new ATOM 1050 N SER A 67 13.194 5.476 -14.420 1.00 73.14 N ATOM 1051 CA SER A 67 14.144 5.896 -13.396 1.00 51.30 C ATOM 1052 C SER A 67 14.713 4.691 -12.655 1.00 33.43 C ATOM 1053 O SER A 67 15.695 4.805 -11.919 1.00 42.10 O ATOM 1054 CB SER A 67 13.470 6.847 -12.405 1.00 52.13 C ATOM 1055 OG SER A 67 13.174 8.092 -13.013 1.00 24.13 O ATOM 0 H SER A 67 12.318 5.101 -14.055 1.00 73.14 H new ATOM 0 HA SER A 67 14.965 6.417 -13.889 1.00 51.30 H new ATOM 0 HB2 SER A 67 12.552 6.395 -12.029 1.00 52.13 H new ATOM 0 HB3 SER A 67 14.122 7.004 -11.546 1.00 52.13 H new ATOM 0 HG SER A 67 12.742 8.681 -12.359 1.00 24.13 H new ATOM 1061 N LEU A 68 14.091 3.534 -12.854 1.00 3.23 N ATOM 1062 CA LEU A 68 14.534 2.304 -12.206 1.00 51.33 C ATOM 1063 C LEU A 68 16.028 2.083 -12.422 1.00 61.30 C ATOM 1064 O LEU A 68 16.678 1.379 -11.649 1.00 23.44 O ATOM 1065 CB LEU A 68 13.746 1.108 -12.743 1.00 40.20 C ATOM 1066 CG LEU A 68 12.375 0.869 -12.111 1.00 43.32 C ATOM 1067 CD1 LEU A 68 11.608 -0.193 -12.883 1.00 2.44 C ATOM 1068 CD2 LEU A 68 12.524 0.466 -10.651 1.00 61.32 C ATOM 0 H LEU A 68 13.278 3.422 -13.459 1.00 3.23 H new ATOM 0 HA LEU A 68 14.351 2.400 -11.136 1.00 51.33 H new ATOM 0 HB2 LEU A 68 13.611 1.240 -13.817 1.00 40.20 H new ATOM 0 HB3 LEU A 68 14.349 0.210 -12.606 1.00 40.20 H new ATOM 0 HG LEU A 68 11.809 1.800 -12.155 1.00 43.32 H new ATOM 0 HD11 LEU A 68 10.635 -0.349 -12.418 1.00 2.44 H new ATOM 0 HD12 LEU A 68 11.469 0.135 -13.913 1.00 2.44 H new ATOM 0 HD13 LEU A 68 12.169 -1.127 -12.872 1.00 2.44 H new ATOM 0 HD21 LEU A 68 11.538 0.300 -10.217 1.00 61.32 H new ATOM 0 HD22 LEU A 68 13.109 -0.451 -10.585 1.00 61.32 H new ATOM 0 HD23 LEU A 68 13.032 1.260 -10.104 1.00 61.32 H new ATOM 1080 N GLN A 69 16.564 2.689 -13.476 1.00 62.20 N ATOM 1081 CA GLN A 69 17.982 2.559 -13.792 1.00 60.21 C ATOM 1082 C GLN A 69 18.743 3.825 -13.412 1.00 73.43 C ATOM 1083 O GLN A 69 19.855 3.759 -12.887 1.00 32.43 O ATOM 1084 CB GLN A 69 18.168 2.265 -15.282 1.00 72.03 C ATOM 1085 CG GLN A 69 19.433 1.480 -15.593 1.00 63.41 C ATOM 1086 CD GLN A 69 19.719 1.399 -17.080 1.00 2.31 C ATOM 1087 OE1 GLN A 69 18.866 0.986 -17.866 1.00 70.43 O ATOM 1088 NE2 GLN A 69 20.922 1.797 -17.473 1.00 34.23 N ATOM 0 H GLN A 69 16.039 3.274 -14.125 1.00 62.20 H new ATOM 0 HA GLN A 69 18.384 1.728 -13.212 1.00 60.21 H new ATOM 0 HB2 GLN A 69 17.305 1.706 -15.644 1.00 72.03 H new ATOM 0 HB3 GLN A 69 18.191 3.207 -15.830 1.00 72.03 H new ATOM 0 HG2 GLN A 69 20.279 1.947 -15.089 1.00 63.41 H new ATOM 0 HG3 GLN A 69 19.339 0.472 -15.190 1.00 63.41 H new ATOM 0 HE21 GLN A 69 21.598 2.132 -16.786 1.00 34.23 H new ATOM 0 HE22 GLN A 69 21.171 1.768 -18.462 1.00 34.23 H new ATOM 1097 N THR A 70 18.137 4.977 -13.681 1.00 33.23 N ATOM 1098 CA THR A 70 18.759 6.258 -13.369 1.00 64.34 C ATOM 1099 C THR A 70 18.773 6.510 -11.865 1.00 32.43 C ATOM 1100 O THR A 70 19.456 7.413 -11.385 1.00 45.14 O ATOM 1101 CB THR A 70 18.028 7.421 -14.065 1.00 11.45 C ATOM 1102 OG1 THR A 70 16.787 7.688 -13.402 1.00 52.04 O ATOM 1103 CG2 THR A 70 17.767 7.097 -15.528 1.00 21.21 C ATOM 0 H THR A 70 17.216 5.049 -14.114 1.00 33.23 H new ATOM 0 HA THR A 70 19.784 6.210 -13.737 1.00 64.34 H new ATOM 0 HB THR A 70 18.665 8.304 -14.012 1.00 11.45 H new ATOM 0 HG1 THR A 70 16.330 8.430 -13.850 1.00 52.04 H new ATOM 0 HG21 THR A 70 17.250 7.933 -15.999 1.00 21.21 H new ATOM 0 HG22 THR A 70 18.715 6.924 -16.037 1.00 21.21 H new ATOM 0 HG23 THR A 70 17.149 6.202 -15.598 1.00 21.21 H new ATOM 1111 N GLY A 71 18.016 5.703 -11.127 1.00 52.33 N ATOM 1112 CA GLY A 71 17.958 5.855 -9.685 1.00 51.40 C ATOM 1113 C GLY A 71 18.766 4.799 -8.958 1.00 41.22 C ATOM 1114 O GLY A 71 19.307 3.884 -9.578 1.00 2.23 O ATOM 0 H GLY A 71 17.442 4.947 -11.502 1.00 52.33 H new ATOM 0 HA2 GLY A 71 18.328 6.843 -9.412 1.00 51.40 H new ATOM 0 HA3 GLY A 71 16.919 5.802 -9.359 1.00 51.40 H new ATOM 1118 N SER A 72 18.851 4.926 -7.637 1.00 5.30 N ATOM 1119 CA SER A 72 19.604 3.979 -6.824 1.00 22.01 C ATOM 1120 C SER A 72 18.696 2.870 -6.302 1.00 61.34 C ATOM 1121 O SER A 72 17.580 2.686 -6.788 1.00 52.53 O ATOM 1122 CB SER A 72 20.275 4.698 -5.653 1.00 42.32 C ATOM 1123 OG SER A 72 19.379 4.845 -4.564 1.00 0.44 O ATOM 0 H SER A 72 18.407 5.676 -7.107 1.00 5.30 H new ATOM 0 HA SER A 72 20.373 3.530 -7.453 1.00 22.01 H new ATOM 0 HB2 SER A 72 21.153 4.137 -5.333 1.00 42.32 H new ATOM 0 HB3 SER A 72 20.624 5.679 -5.976 1.00 42.32 H new ATOM 0 HG SER A 72 19.832 5.306 -3.827 1.00 0.44 H new ATOM 1129 N GLU A 73 19.183 2.132 -5.309 1.00 51.51 N ATOM 1130 CA GLU A 73 18.417 1.041 -4.721 1.00 62.32 C ATOM 1131 C GLU A 73 17.131 1.561 -4.082 1.00 14.23 C ATOM 1132 O GLU A 73 16.187 0.804 -3.860 1.00 52.31 O ATOM 1133 CB GLU A 73 19.256 0.304 -3.676 1.00 64.23 C ATOM 1134 CG GLU A 73 19.705 -1.078 -4.120 1.00 2.21 C ATOM 1135 CD GLU A 73 20.853 -1.028 -5.109 1.00 73.14 C ATOM 1136 OE1 GLU A 73 21.993 -0.746 -4.681 1.00 62.04 O ATOM 1137 OE2 GLU A 73 20.614 -1.270 -6.310 1.00 20.12 O ATOM 0 H GLU A 73 20.105 2.271 -4.895 1.00 51.51 H new ATOM 0 HA GLU A 73 18.152 0.347 -5.519 1.00 62.32 H new ATOM 0 HB2 GLU A 73 20.135 0.904 -3.439 1.00 64.23 H new ATOM 0 HB3 GLU A 73 18.677 0.211 -2.757 1.00 64.23 H new ATOM 0 HG2 GLU A 73 20.008 -1.656 -3.247 1.00 2.21 H new ATOM 0 HG3 GLU A 73 18.863 -1.602 -4.573 1.00 2.21 H new ATOM 1144 N GLU A 74 17.106 2.857 -3.790 1.00 1.34 N ATOM 1145 CA GLU A 74 15.937 3.478 -3.176 1.00 13.31 C ATOM 1146 C GLU A 74 14.769 3.526 -4.157 1.00 41.13 C ATOM 1147 O GLU A 74 13.614 3.329 -3.774 1.00 75.33 O ATOM 1148 CB GLU A 74 16.275 4.892 -2.699 1.00 12.43 C ATOM 1149 CG GLU A 74 17.001 4.928 -1.366 1.00 72.15 C ATOM 1150 CD GLU A 74 17.533 6.306 -1.026 1.00 13.24 C ATOM 1151 OE1 GLU A 74 17.884 7.053 -1.964 1.00 10.42 O ATOM 1152 OE2 GLU A 74 17.599 6.639 0.175 1.00 14.40 O ATOM 0 H GLU A 74 17.880 3.497 -3.968 1.00 1.34 H new ATOM 0 HA GLU A 74 15.644 2.873 -2.318 1.00 13.31 H new ATOM 0 HB2 GLU A 74 16.892 5.383 -3.452 1.00 12.43 H new ATOM 0 HB3 GLU A 74 15.354 5.468 -2.617 1.00 12.43 H new ATOM 0 HG2 GLU A 74 16.322 4.601 -0.578 1.00 72.15 H new ATOM 0 HG3 GLU A 74 17.829 4.219 -1.389 1.00 72.15 H new ATOM 1159 N LEU A 75 15.075 3.789 -5.422 1.00 75.14 N ATOM 1160 CA LEU A 75 14.052 3.863 -6.457 1.00 23.34 C ATOM 1161 C LEU A 75 13.552 2.471 -6.831 1.00 65.23 C ATOM 1162 O LEU A 75 12.446 2.316 -7.350 1.00 62.34 O ATOM 1163 CB LEU A 75 14.603 4.568 -7.698 1.00 61.31 C ATOM 1164 CG LEU A 75 13.579 5.300 -8.566 1.00 44.03 C ATOM 1165 CD1 LEU A 75 14.073 6.696 -8.914 1.00 73.23 C ATOM 1166 CD2 LEU A 75 13.285 4.506 -9.830 1.00 50.12 C ATOM 0 H LEU A 75 16.025 3.955 -5.756 1.00 75.14 H new ATOM 0 HA LEU A 75 13.213 4.437 -6.062 1.00 23.34 H new ATOM 0 HB2 LEU A 75 15.357 5.287 -7.378 1.00 61.31 H new ATOM 0 HB3 LEU A 75 15.110 3.827 -8.316 1.00 61.31 H new ATOM 0 HG LEU A 75 12.654 5.396 -7.998 1.00 44.03 H new ATOM 0 HD11 LEU A 75 13.331 7.201 -9.532 1.00 73.23 H new ATOM 0 HD12 LEU A 75 14.230 7.265 -7.998 1.00 73.23 H new ATOM 0 HD13 LEU A 75 15.013 6.623 -9.462 1.00 73.23 H new ATOM 0 HD21 LEU A 75 12.554 5.043 -10.435 1.00 50.12 H new ATOM 0 HD22 LEU A 75 14.205 4.377 -10.401 1.00 50.12 H new ATOM 0 HD23 LEU A 75 12.885 3.528 -9.561 1.00 50.12 H new ATOM 1178 N ARG A 76 14.372 1.462 -6.559 1.00 32.52 N ATOM 1179 CA ARG A 76 14.012 0.082 -6.865 1.00 71.52 C ATOM 1180 C ARG A 76 13.122 -0.503 -5.772 1.00 70.24 C ATOM 1181 O ARG A 76 12.235 -1.311 -6.046 1.00 51.20 O ATOM 1182 CB ARG A 76 15.271 -0.772 -7.023 1.00 31.23 C ATOM 1183 CG ARG A 76 15.566 -1.162 -8.463 1.00 74.04 C ATOM 1184 CD ARG A 76 16.547 -2.321 -8.537 1.00 22.13 C ATOM 1185 NE ARG A 76 16.849 -2.696 -9.916 1.00 52.50 N ATOM 1186 CZ ARG A 76 17.730 -2.054 -10.676 1.00 52.12 C ATOM 1187 NH1 ARG A 76 18.393 -1.012 -10.192 1.00 21.22 N ATOM 1188 NH2 ARG A 76 17.950 -2.454 -11.921 1.00 73.31 N ATOM 0 H ARG A 76 15.290 1.573 -6.128 1.00 32.52 H new ATOM 0 HA ARG A 76 13.457 0.077 -7.803 1.00 71.52 H new ATOM 0 HB2 ARG A 76 16.124 -0.225 -6.622 1.00 31.23 H new ATOM 0 HB3 ARG A 76 15.163 -1.677 -6.425 1.00 31.23 H new ATOM 0 HG2 ARG A 76 14.638 -1.437 -8.964 1.00 74.04 H new ATOM 0 HG3 ARG A 76 15.974 -0.304 -8.997 1.00 74.04 H new ATOM 0 HD2 ARG A 76 17.470 -2.048 -8.025 1.00 22.13 H new ATOM 0 HD3 ARG A 76 16.133 -3.181 -8.010 1.00 22.13 H new ATOM 0 HE ARG A 76 16.357 -3.494 -10.318 1.00 52.50 H new ATOM 0 HH11 ARG A 76 18.227 -0.702 -9.235 1.00 21.22 H new ATOM 0 HH12 ARG A 76 19.069 -0.521 -10.777 1.00 21.22 H new ATOM 0 HH21 ARG A 76 17.443 -3.255 -12.296 1.00 73.31 H new ATOM 0 HH22 ARG A 76 18.626 -1.960 -12.503 1.00 73.31 H new ATOM 1202 N SER A 77 13.367 -0.089 -4.532 1.00 33.33 N ATOM 1203 CA SER A 77 12.591 -0.576 -3.397 1.00 3.10 C ATOM 1204 C SER A 77 11.141 -0.111 -3.492 1.00 50.01 C ATOM 1205 O SER A 77 10.222 -0.822 -3.084 1.00 25.11 O ATOM 1206 CB SER A 77 13.209 -0.091 -2.084 1.00 3.24 C ATOM 1207 OG SER A 77 14.257 -0.949 -1.667 1.00 51.34 O ATOM 0 H SER A 77 14.096 0.582 -4.288 1.00 33.33 H new ATOM 0 HA SER A 77 12.608 -1.666 -3.417 1.00 3.10 H new ATOM 0 HB2 SER A 77 13.592 0.922 -2.211 1.00 3.24 H new ATOM 0 HB3 SER A 77 12.441 -0.047 -1.311 1.00 3.24 H new ATOM 0 HG SER A 77 14.637 -0.617 -0.827 1.00 51.34 H new ATOM 1213 N LEU A 78 10.944 1.085 -4.033 1.00 40.50 N ATOM 1214 CA LEU A 78 9.606 1.647 -4.182 1.00 2.55 C ATOM 1215 C LEU A 78 8.815 0.895 -5.247 1.00 21.22 C ATOM 1216 O LEU A 78 7.724 0.388 -4.983 1.00 2.51 O ATOM 1217 CB LEU A 78 9.691 3.131 -4.547 1.00 61.21 C ATOM 1218 CG LEU A 78 9.374 4.117 -3.423 1.00 4.12 C ATOM 1219 CD1 LEU A 78 8.015 3.810 -2.812 1.00 15.21 C ATOM 1220 CD2 LEU A 78 10.460 4.083 -2.359 1.00 72.35 C ATOM 0 H LEU A 78 11.694 1.685 -4.376 1.00 40.50 H new ATOM 0 HA LEU A 78 9.088 1.543 -3.229 1.00 2.55 H new ATOM 0 HB2 LEU A 78 10.697 3.338 -4.912 1.00 61.21 H new ATOM 0 HB3 LEU A 78 9.007 3.321 -5.374 1.00 61.21 H new ATOM 0 HG LEU A 78 9.341 5.121 -3.846 1.00 4.12 H new ATOM 0 HD11 LEU A 78 7.806 4.522 -2.013 1.00 15.21 H new ATOM 0 HD12 LEU A 78 7.245 3.889 -3.579 1.00 15.21 H new ATOM 0 HD13 LEU A 78 8.019 2.799 -2.405 1.00 15.21 H new ATOM 0 HD21 LEU A 78 10.216 4.792 -1.568 1.00 72.35 H new ATOM 0 HD22 LEU A 78 10.527 3.079 -1.939 1.00 72.35 H new ATOM 0 HD23 LEU A 78 11.416 4.354 -2.806 1.00 72.35 H new ATOM 1232 N TYR A 79 9.373 0.823 -6.450 1.00 34.15 N ATOM 1233 CA TYR A 79 8.721 0.132 -7.556 1.00 2.03 C ATOM 1234 C TYR A 79 8.224 -1.244 -7.122 1.00 40.13 C ATOM 1235 O TYR A 79 7.125 -1.662 -7.482 1.00 23.31 O ATOM 1236 CB TYR A 79 9.684 -0.010 -8.736 1.00 62.11 C ATOM 1237 CG TYR A 79 8.994 -0.318 -10.046 1.00 63.10 C ATOM 1238 CD1 TYR A 79 8.459 -1.576 -10.293 1.00 31.14 C ATOM 1239 CD2 TYR A 79 8.877 0.650 -11.036 1.00 1.33 C ATOM 1240 CE1 TYR A 79 7.829 -1.861 -11.490 1.00 70.51 C ATOM 1241 CE2 TYR A 79 8.248 0.374 -12.234 1.00 12.32 C ATOM 1242 CZ TYR A 79 7.726 -0.883 -12.457 1.00 73.11 C ATOM 1243 OH TYR A 79 7.098 -1.163 -13.648 1.00 30.15 O ATOM 0 H TYR A 79 10.276 1.235 -6.684 1.00 34.15 H new ATOM 0 HA TYR A 79 7.862 0.727 -7.866 1.00 2.03 H new ATOM 0 HB2 TYR A 79 10.253 0.913 -8.843 1.00 62.11 H new ATOM 0 HB3 TYR A 79 10.400 -0.802 -8.517 1.00 62.11 H new ATOM 0 HD1 TYR A 79 8.537 -2.344 -9.538 1.00 31.14 H new ATOM 0 HD2 TYR A 79 9.285 1.635 -10.866 1.00 1.33 H new ATOM 0 HE1 TYR A 79 7.420 -2.845 -11.667 1.00 70.51 H new ATOM 0 HE2 TYR A 79 8.165 1.138 -12.992 1.00 12.32 H new ATOM 0 HH TYR A 79 6.406 -1.841 -13.501 1.00 30.15 H new ATOM 1253 N ASN A 80 9.044 -1.942 -6.342 1.00 30.12 N ATOM 1254 CA ASN A 80 8.690 -3.272 -5.858 1.00 41.11 C ATOM 1255 C ASN A 80 7.347 -3.246 -5.133 1.00 53.01 C ATOM 1256 O ASN A 80 6.368 -3.834 -5.594 1.00 72.22 O ATOM 1257 CB ASN A 80 9.777 -3.802 -4.922 1.00 62.14 C ATOM 1258 CG ASN A 80 10.849 -4.578 -5.662 1.00 62.02 C ATOM 1259 OD1 ASN A 80 11.095 -4.343 -6.845 1.00 75.12 O ATOM 1260 ND2 ASN A 80 11.492 -5.510 -4.968 1.00 72.05 N ATOM 0 H ASN A 80 9.957 -1.609 -6.032 1.00 30.12 H new ATOM 0 HA ASN A 80 8.606 -3.935 -6.719 1.00 41.11 H new ATOM 0 HB2 ASN A 80 10.236 -2.967 -4.393 1.00 62.14 H new ATOM 0 HB3 ASN A 80 9.322 -4.445 -4.168 1.00 62.14 H new ATOM 0 HD21 ASN A 80 12.223 -6.065 -5.414 1.00 72.05 H new ATOM 0 HD22 ASN A 80 11.255 -5.671 -3.989 1.00 72.05 H new ATOM 1267 N THR A 81 7.308 -2.560 -3.995 1.00 55.14 N ATOM 1268 CA THR A 81 6.088 -2.457 -3.205 1.00 5.11 C ATOM 1269 C THR A 81 4.938 -1.904 -4.040 1.00 23.50 C ATOM 1270 O THR A 81 3.877 -2.522 -4.140 1.00 14.03 O ATOM 1271 CB THR A 81 6.290 -1.559 -1.971 1.00 12.51 C ATOM 1272 OG1 THR A 81 7.305 -2.109 -1.126 1.00 72.15 O ATOM 1273 CG2 THR A 81 4.994 -1.414 -1.188 1.00 61.33 C ATOM 0 H THR A 81 8.109 -2.067 -3.600 1.00 55.14 H new ATOM 0 HA THR A 81 5.841 -3.465 -2.873 1.00 5.11 H new ATOM 0 HB THR A 81 6.600 -0.572 -2.315 1.00 12.51 H new ATOM 0 HG1 THR A 81 7.428 -1.531 -0.344 1.00 72.15 H new ATOM 0 HG21 THR A 81 5.162 -0.775 -0.321 1.00 61.33 H new ATOM 0 HG22 THR A 81 4.232 -0.967 -1.826 1.00 61.33 H new ATOM 0 HG23 THR A 81 4.658 -2.396 -0.855 1.00 61.33 H new ATOM 1281 N ILE A 82 5.155 -0.737 -4.638 1.00 43.43 N ATOM 1282 CA ILE A 82 4.136 -0.102 -5.465 1.00 15.14 C ATOM 1283 C ILE A 82 3.515 -1.102 -6.435 1.00 44.12 C ATOM 1284 O ILE A 82 2.305 -1.091 -6.661 1.00 21.11 O ATOM 1285 CB ILE A 82 4.717 1.079 -6.265 1.00 32.44 C ATOM 1286 CG1 ILE A 82 5.293 2.131 -5.316 1.00 41.41 C ATOM 1287 CG2 ILE A 82 3.648 1.690 -7.158 1.00 13.44 C ATOM 1288 CD1 ILE A 82 6.224 3.113 -5.995 1.00 20.32 C ATOM 0 H ILE A 82 6.027 -0.212 -4.565 1.00 43.43 H new ATOM 0 HA ILE A 82 3.367 0.271 -4.789 1.00 15.14 H new ATOM 0 HB ILE A 82 5.523 0.709 -6.899 1.00 32.44 H new ATOM 0 HG12 ILE A 82 4.472 2.680 -4.854 1.00 41.41 H new ATOM 0 HG13 ILE A 82 5.832 1.628 -4.513 1.00 41.41 H new ATOM 0 HG21 ILE A 82 4.074 2.523 -7.717 1.00 13.44 H new ATOM 0 HG22 ILE A 82 3.281 0.936 -7.854 1.00 13.44 H new ATOM 0 HG23 ILE A 82 2.822 2.049 -6.544 1.00 13.44 H new ATOM 0 HD11 ILE A 82 6.595 3.830 -5.262 1.00 20.32 H new ATOM 0 HD12 ILE A 82 7.064 2.574 -6.433 1.00 20.32 H new ATOM 0 HD13 ILE A 82 5.684 3.643 -6.780 1.00 20.32 H new ATOM 1300 N ALA A 83 4.350 -1.966 -7.001 1.00 1.33 N ATOM 1301 CA ALA A 83 3.881 -2.975 -7.943 1.00 13.34 C ATOM 1302 C ALA A 83 2.914 -3.945 -7.273 1.00 0.31 C ATOM 1303 O ALA A 83 1.889 -4.313 -7.848 1.00 11.52 O ATOM 1304 CB ALA A 83 5.061 -3.730 -8.539 1.00 41.50 C ATOM 0 H ALA A 83 5.354 -1.988 -6.824 1.00 1.33 H new ATOM 0 HA ALA A 83 3.346 -2.466 -8.745 1.00 13.34 H new ATOM 0 HB1 ALA A 83 4.696 -4.480 -9.241 1.00 41.50 H new ATOM 0 HB2 ALA A 83 5.713 -3.031 -9.062 1.00 41.50 H new ATOM 0 HB3 ALA A 83 5.620 -4.220 -7.742 1.00 41.50 H new ATOM 1310 N VAL A 84 3.247 -4.357 -6.054 1.00 42.32 N ATOM 1311 CA VAL A 84 2.407 -5.284 -5.305 1.00 32.11 C ATOM 1312 C VAL A 84 1.012 -4.712 -5.090 1.00 3.52 C ATOM 1313 O VAL A 84 0.019 -5.441 -5.105 1.00 75.14 O ATOM 1314 CB VAL A 84 3.028 -5.623 -3.936 1.00 34.23 C ATOM 1315 CG1 VAL A 84 2.248 -6.738 -3.257 1.00 4.44 C ATOM 1316 CG2 VAL A 84 4.492 -6.007 -4.097 1.00 61.35 C ATOM 0 H VAL A 84 4.092 -4.064 -5.564 1.00 42.32 H new ATOM 0 HA VAL A 84 2.334 -6.195 -5.899 1.00 32.11 H new ATOM 0 HB VAL A 84 2.975 -4.738 -3.303 1.00 34.23 H new ATOM 0 HG11 VAL A 84 2.701 -6.964 -2.292 1.00 4.44 H new ATOM 0 HG12 VAL A 84 1.216 -6.421 -3.108 1.00 4.44 H new ATOM 0 HG13 VAL A 84 2.267 -7.629 -3.884 1.00 4.44 H new ATOM 0 HG21 VAL A 84 4.916 -6.243 -3.121 1.00 61.35 H new ATOM 0 HG22 VAL A 84 4.570 -6.878 -4.747 1.00 61.35 H new ATOM 0 HG23 VAL A 84 5.040 -5.175 -4.538 1.00 61.35 H new ATOM 1326 N LEU A 85 0.940 -3.400 -4.890 1.00 75.24 N ATOM 1327 CA LEU A 85 -0.335 -2.727 -4.672 1.00 63.12 C ATOM 1328 C LEU A 85 -1.232 -2.849 -5.900 1.00 11.51 C ATOM 1329 O LEU A 85 -2.369 -3.312 -5.807 1.00 73.15 O ATOM 1330 CB LEU A 85 -0.105 -1.251 -4.339 1.00 31.45 C ATOM 1331 CG LEU A 85 -1.355 -0.373 -4.288 1.00 11.25 C ATOM 1332 CD1 LEU A 85 -2.337 -0.900 -3.253 1.00 71.23 C ATOM 1333 CD2 LEU A 85 -0.981 1.071 -3.983 1.00 74.21 C ATOM 0 H LEU A 85 1.751 -2.781 -4.874 1.00 75.24 H new ATOM 0 HA LEU A 85 -0.833 -3.210 -3.831 1.00 63.12 H new ATOM 0 HB2 LEU A 85 0.397 -1.191 -3.373 1.00 31.45 H new ATOM 0 HB3 LEU A 85 0.578 -0.834 -5.079 1.00 31.45 H new ATOM 0 HG LEU A 85 -1.837 -0.405 -5.265 1.00 11.25 H new ATOM 0 HD11 LEU A 85 -3.220 -0.262 -3.231 1.00 71.23 H new ATOM 0 HD12 LEU A 85 -2.630 -1.917 -3.514 1.00 71.23 H new ATOM 0 HD13 LEU A 85 -1.865 -0.900 -2.270 1.00 71.23 H new ATOM 0 HD21 LEU A 85 -1.883 1.682 -3.951 1.00 74.21 H new ATOM 0 HD22 LEU A 85 -0.475 1.120 -3.019 1.00 74.21 H new ATOM 0 HD23 LEU A 85 -0.316 1.447 -4.761 1.00 74.21 H new ATOM 1345 N TYR A 86 -0.712 -2.433 -7.050 1.00 41.15 N ATOM 1346 CA TYR A 86 -1.466 -2.495 -8.295 1.00 5.33 C ATOM 1347 C TYR A 86 -2.122 -3.862 -8.467 1.00 11.43 C ATOM 1348 O TYR A 86 -3.292 -3.958 -8.838 1.00 21.23 O ATOM 1349 CB TYR A 86 -0.549 -2.203 -9.485 1.00 25.21 C ATOM 1350 CG TYR A 86 -1.237 -2.336 -10.826 1.00 71.22 C ATOM 1351 CD1 TYR A 86 -2.016 -1.305 -11.335 1.00 64.42 C ATOM 1352 CD2 TYR A 86 -1.105 -3.493 -11.583 1.00 24.35 C ATOM 1353 CE1 TYR A 86 -2.647 -1.423 -12.558 1.00 42.23 C ATOM 1354 CE2 TYR A 86 -1.730 -3.619 -12.809 1.00 4.22 C ATOM 1355 CZ TYR A 86 -2.501 -2.582 -13.292 1.00 54.34 C ATOM 1356 OH TYR A 86 -3.125 -2.702 -14.512 1.00 43.11 O ATOM 0 H TYR A 86 0.228 -2.050 -7.145 1.00 41.15 H new ATOM 0 HA TYR A 86 -2.250 -1.739 -8.254 1.00 5.33 H new ATOM 0 HB2 TYR A 86 -0.152 -1.192 -9.388 1.00 25.21 H new ATOM 0 HB3 TYR A 86 0.302 -2.884 -9.453 1.00 25.21 H new ATOM 0 HD1 TYR A 86 -2.130 -0.395 -10.765 1.00 64.42 H new ATOM 0 HD2 TYR A 86 -0.504 -4.308 -11.207 1.00 24.35 H new ATOM 0 HE1 TYR A 86 -3.251 -0.612 -12.938 1.00 42.23 H new ATOM 0 HE2 TYR A 86 -1.615 -4.525 -13.386 1.00 4.22 H new ATOM 0 HH TYR A 86 -2.920 -3.578 -14.900 1.00 43.11 H new ATOM 1366 N CYS A 87 -1.360 -4.914 -8.195 1.00 60.43 N ATOM 1367 CA CYS A 87 -1.865 -6.277 -8.319 1.00 40.23 C ATOM 1368 C CYS A 87 -2.983 -6.536 -7.314 1.00 32.32 C ATOM 1369 O CYS A 87 -3.908 -7.303 -7.582 1.00 43.51 O ATOM 1370 CB CYS A 87 -0.733 -7.284 -8.112 1.00 23.11 C ATOM 1371 SG CYS A 87 0.161 -7.712 -9.625 1.00 65.40 S ATOM 0 H CYS A 87 -0.390 -4.850 -7.887 1.00 60.43 H new ATOM 0 HA CYS A 87 -2.269 -6.398 -9.324 1.00 40.23 H new ATOM 0 HB2 CYS A 87 -0.027 -6.877 -7.388 1.00 23.11 H new ATOM 0 HB3 CYS A 87 -1.146 -8.194 -7.677 1.00 23.11 H new ATOM 0 HG CYS A 87 1.100 -8.567 -9.347 1.00 65.40 H new ATOM 1377 N VAL A 88 -2.889 -5.893 -6.154 1.00 62.23 N ATOM 1378 CA VAL A 88 -3.892 -6.054 -5.108 1.00 65.30 C ATOM 1379 C VAL A 88 -5.210 -5.398 -5.504 1.00 51.02 C ATOM 1380 O VAL A 88 -6.288 -5.900 -5.183 1.00 74.23 O ATOM 1381 CB VAL A 88 -3.412 -5.453 -3.773 1.00 33.35 C ATOM 1382 CG1 VAL A 88 -4.582 -5.269 -2.819 1.00 34.04 C ATOM 1383 CG2 VAL A 88 -2.338 -6.332 -3.149 1.00 3.53 C ATOM 0 H VAL A 88 -2.129 -5.256 -5.915 1.00 62.23 H new ATOM 0 HA VAL A 88 -4.047 -7.125 -4.981 1.00 65.30 H new ATOM 0 HB VAL A 88 -2.978 -4.473 -3.971 1.00 33.35 H new ATOM 0 HG11 VAL A 88 -4.224 -4.844 -1.882 1.00 34.04 H new ATOM 0 HG12 VAL A 88 -5.314 -4.597 -3.266 1.00 34.04 H new ATOM 0 HG13 VAL A 88 -5.048 -6.235 -2.624 1.00 34.04 H new ATOM 0 HG21 VAL A 88 -2.010 -5.893 -2.207 1.00 3.53 H new ATOM 0 HG22 VAL A 88 -2.744 -7.326 -2.964 1.00 3.53 H new ATOM 0 HG23 VAL A 88 -1.489 -6.407 -3.829 1.00 3.53 H new ATOM 1393 N HIS A 89 -5.116 -4.271 -6.203 1.00 24.44 N ATOM 1394 CA HIS A 89 -6.302 -3.544 -6.645 1.00 1.21 C ATOM 1395 C HIS A 89 -6.936 -4.226 -7.854 1.00 64.31 C ATOM 1396 O HIS A 89 -8.152 -4.098 -8.001 1.00 10.43 O ATOM 1397 CB HIS A 89 -5.941 -2.099 -6.992 1.00 60.03 C ATOM 1398 CG HIS A 89 -5.794 -1.215 -5.791 1.00 53.32 C ATOM 1399 ND1 HIS A 89 -6.636 -1.279 -4.701 1.00 33.23 N ATOM 1400 CD2 HIS A 89 -4.895 -0.242 -5.513 1.00 74.50 C ATOM 1401 CE1 HIS A 89 -6.261 -0.384 -3.805 1.00 51.11 C ATOM 1402 NE2 HIS A 89 -5.205 0.259 -4.274 1.00 22.40 N ATOM 0 H HIS A 89 -4.232 -3.841 -6.476 1.00 24.44 H new ATOM 0 HA HIS A 89 -7.024 -3.544 -5.828 1.00 1.21 H new ATOM 0 HB2 HIS A 89 -5.008 -2.091 -7.555 1.00 60.03 H new ATOM 0 HB3 HIS A 89 -6.711 -1.687 -7.644 1.00 60.03 H new ATOM 0 HD2 HIS A 89 -4.084 0.080 -6.149 1.00 74.50 H new ATOM 0 HE1 HIS A 89 -6.736 -0.207 -2.851 1.00 51.11 H new ATOM 0 HE2 HIS A 89 -4.703 1.005 -3.793 1.00 22.40 H new ATOM 1411 N GLN A 90 -6.175 -4.922 -8.692 1.00 12.30 N ATOM 1412 CA GLN A 90 -6.737 -5.588 -9.861 1.00 74.54 C ATOM 1413 C GLN A 90 -7.233 -6.985 -9.504 1.00 72.34 C ATOM 1414 O GLN A 90 -7.452 -7.820 -10.381 1.00 34.43 O ATOM 1415 CB GLN A 90 -5.694 -5.675 -10.976 1.00 50.33 C ATOM 1416 CG GLN A 90 -5.847 -4.597 -12.037 1.00 43.13 C ATOM 1417 CD GLN A 90 -7.002 -4.867 -12.981 1.00 54.13 C ATOM 1418 OE1 GLN A 90 -7.027 -5.883 -13.675 1.00 34.14 O ATOM 1419 NE2 GLN A 90 -7.967 -3.955 -13.011 1.00 5.15 N ATOM 0 H GLN A 90 -5.168 -5.039 -8.583 1.00 12.30 H new ATOM 0 HA GLN A 90 -7.584 -4.999 -10.211 1.00 74.54 H new ATOM 0 HB2 GLN A 90 -4.699 -5.603 -10.538 1.00 50.33 H new ATOM 0 HB3 GLN A 90 -5.763 -6.653 -11.451 1.00 50.33 H new ATOM 0 HG2 GLN A 90 -5.998 -3.633 -11.551 1.00 43.13 H new ATOM 0 HG3 GLN A 90 -4.923 -4.524 -12.611 1.00 43.13 H new ATOM 0 HE21 GLN A 90 -7.905 -3.127 -12.418 1.00 5.15 H new ATOM 0 HE22 GLN A 90 -8.770 -4.082 -13.627 1.00 5.15 H new ATOM 1428 N ARG A 91 -7.409 -7.233 -8.209 1.00 32.14 N ATOM 1429 CA ARG A 91 -7.878 -8.529 -7.736 1.00 35.31 C ATOM 1430 C ARG A 91 -6.879 -9.629 -8.086 1.00 32.50 C ATOM 1431 O ARG A 91 -7.208 -10.816 -8.046 1.00 45.42 O ATOM 1432 CB ARG A 91 -9.244 -8.855 -8.344 1.00 21.03 C ATOM 1433 CG ARG A 91 -10.227 -7.697 -8.285 1.00 3.21 C ATOM 1434 CD ARG A 91 -11.653 -8.188 -8.090 1.00 2.34 C ATOM 1435 NE ARG A 91 -12.583 -7.087 -7.854 1.00 0.24 N ATOM 1436 CZ ARG A 91 -13.043 -6.294 -8.816 1.00 64.41 C ATOM 1437 NH1 ARG A 91 -12.662 -6.480 -10.072 1.00 71.55 N ATOM 1438 NH2 ARG A 91 -13.887 -5.313 -8.522 1.00 13.44 N ATOM 0 H ARG A 91 -7.234 -6.553 -7.470 1.00 32.14 H new ATOM 0 HA ARG A 91 -7.973 -8.479 -6.651 1.00 35.31 H new ATOM 0 HB2 ARG A 91 -9.108 -9.153 -9.384 1.00 21.03 H new ATOM 0 HB3 ARG A 91 -9.671 -9.710 -7.820 1.00 21.03 H new ATOM 0 HG2 ARG A 91 -9.956 -7.029 -7.467 1.00 3.21 H new ATOM 0 HG3 ARG A 91 -10.163 -7.117 -9.205 1.00 3.21 H new ATOM 0 HD2 ARG A 91 -11.968 -8.746 -8.972 1.00 2.34 H new ATOM 0 HD3 ARG A 91 -11.687 -8.878 -7.247 1.00 2.34 H new ATOM 0 HE ARG A 91 -12.897 -6.917 -6.898 1.00 0.24 H new ATOM 0 HH11 ARG A 91 -12.014 -7.233 -10.302 1.00 71.55 H new ATOM 0 HH12 ARG A 91 -13.017 -5.870 -10.808 1.00 71.55 H new ATOM 0 HH21 ARG A 91 -14.183 -5.167 -7.557 1.00 13.44 H new ATOM 0 HH22 ARG A 91 -14.239 -4.705 -9.261 1.00 13.44 H new ATOM 1452 N ILE A 92 -5.660 -9.228 -8.428 1.00 5.30 N ATOM 1453 CA ILE A 92 -4.614 -10.179 -8.784 1.00 23.01 C ATOM 1454 C ILE A 92 -3.855 -10.648 -7.548 1.00 72.12 C ATOM 1455 O ILE A 92 -3.312 -9.839 -6.796 1.00 53.44 O ATOM 1456 CB ILE A 92 -3.615 -9.569 -9.786 1.00 45.33 C ATOM 1457 CG1 ILE A 92 -4.353 -9.046 -11.019 1.00 1.33 C ATOM 1458 CG2 ILE A 92 -2.570 -10.600 -10.183 1.00 13.23 C ATOM 1459 CD1 ILE A 92 -3.495 -8.179 -11.914 1.00 2.42 C ATOM 0 H ILE A 92 -5.372 -8.250 -8.466 1.00 5.30 H new ATOM 0 HA ILE A 92 -5.108 -11.032 -9.250 1.00 23.01 H new ATOM 0 HB ILE A 92 -3.107 -8.731 -9.309 1.00 45.33 H new ATOM 0 HG12 ILE A 92 -4.726 -9.893 -11.596 1.00 1.33 H new ATOM 0 HG13 ILE A 92 -5.222 -8.473 -10.696 1.00 1.33 H new ATOM 0 HG21 ILE A 92 -1.871 -10.155 -10.891 1.00 13.23 H new ATOM 0 HG22 ILE A 92 -2.028 -10.929 -9.296 1.00 13.23 H new ATOM 0 HG23 ILE A 92 -3.061 -11.456 -10.647 1.00 13.23 H new ATOM 0 HD11 ILE A 92 -4.083 -7.844 -12.768 1.00 2.42 H new ATOM 0 HD12 ILE A 92 -3.143 -7.313 -11.353 1.00 2.42 H new ATOM 0 HD13 ILE A 92 -2.639 -8.755 -12.266 1.00 2.42 H new ATOM 1471 N ASP A 93 -3.820 -11.961 -7.345 1.00 53.21 N ATOM 1472 CA ASP A 93 -3.123 -12.539 -6.201 1.00 4.52 C ATOM 1473 C ASP A 93 -1.711 -12.968 -6.585 1.00 54.32 C ATOM 1474 O ASP A 93 -1.524 -13.885 -7.385 1.00 51.34 O ATOM 1475 CB ASP A 93 -3.902 -13.737 -5.656 1.00 62.11 C ATOM 1476 CG ASP A 93 -3.324 -14.262 -4.357 1.00 52.55 C ATOM 1477 OD1 ASP A 93 -2.145 -14.673 -4.356 1.00 73.24 O ATOM 1478 OD2 ASP A 93 -4.048 -14.258 -3.340 1.00 42.11 O ATOM 0 H ASP A 93 -4.266 -12.645 -7.957 1.00 53.21 H new ATOM 0 HA ASP A 93 -3.053 -11.776 -5.426 1.00 4.52 H new ATOM 0 HB2 ASP A 93 -4.941 -13.449 -5.497 1.00 62.11 H new ATOM 0 HB3 ASP A 93 -3.902 -14.535 -6.399 1.00 62.11 H new ATOM 1483 N VAL A 94 -0.717 -12.296 -6.010 1.00 22.32 N ATOM 1484 CA VAL A 94 0.678 -12.607 -6.291 1.00 14.01 C ATOM 1485 C VAL A 94 1.237 -13.596 -5.275 1.00 32.23 C ATOM 1486 O VAL A 94 0.611 -13.873 -4.253 1.00 65.24 O ATOM 1487 CB VAL A 94 1.549 -11.336 -6.286 1.00 23.12 C ATOM 1488 CG1 VAL A 94 0.949 -10.275 -7.196 1.00 50.42 C ATOM 1489 CG2 VAL A 94 1.710 -10.807 -4.869 1.00 51.31 C ATOM 0 H VAL A 94 -0.854 -11.533 -5.347 1.00 22.32 H new ATOM 0 HA VAL A 94 0.708 -13.055 -7.284 1.00 14.01 H new ATOM 0 HB VAL A 94 2.537 -11.591 -6.668 1.00 23.12 H new ATOM 0 HG11 VAL A 94 1.577 -9.384 -7.180 1.00 50.42 H new ATOM 0 HG12 VAL A 94 0.891 -10.660 -8.214 1.00 50.42 H new ATOM 0 HG13 VAL A 94 -0.051 -10.020 -6.847 1.00 50.42 H new ATOM 0 HG21 VAL A 94 2.328 -9.909 -4.884 1.00 51.31 H new ATOM 0 HG22 VAL A 94 0.730 -10.566 -4.457 1.00 51.31 H new ATOM 0 HG23 VAL A 94 2.188 -11.566 -4.249 1.00 51.31 H new ATOM 1499 N LYS A 95 2.421 -14.126 -5.562 1.00 22.20 N ATOM 1500 CA LYS A 95 3.068 -15.085 -4.673 1.00 44.44 C ATOM 1501 C LYS A 95 4.181 -14.417 -3.872 1.00 33.03 C ATOM 1502 O LYS A 95 4.600 -14.925 -2.832 1.00 51.23 O ATOM 1503 CB LYS A 95 3.634 -16.256 -5.477 1.00 54.32 C ATOM 1504 CG LYS A 95 2.580 -17.252 -5.928 1.00 45.05 C ATOM 1505 CD LYS A 95 2.083 -18.101 -4.769 1.00 55.54 C ATOM 1506 CE LYS A 95 0.638 -18.530 -4.970 1.00 14.12 C ATOM 1507 NZ LYS A 95 -0.289 -17.805 -4.058 1.00 21.23 N ATOM 0 H LYS A 95 2.953 -13.908 -6.404 1.00 22.20 H new ATOM 0 HA LYS A 95 2.319 -15.461 -3.977 1.00 44.44 H new ATOM 0 HB2 LYS A 95 4.152 -15.867 -6.353 1.00 54.32 H new ATOM 0 HB3 LYS A 95 4.377 -16.775 -4.872 1.00 54.32 H new ATOM 0 HG2 LYS A 95 1.741 -16.718 -6.375 1.00 45.05 H new ATOM 0 HG3 LYS A 95 2.996 -17.898 -6.701 1.00 45.05 H new ATOM 0 HD2 LYS A 95 2.714 -18.984 -4.666 1.00 55.54 H new ATOM 0 HD3 LYS A 95 2.170 -17.537 -3.840 1.00 55.54 H new ATOM 0 HE2 LYS A 95 0.346 -18.348 -6.004 1.00 14.12 H new ATOM 0 HE3 LYS A 95 0.551 -19.603 -4.798 1.00 14.12 H new ATOM 0 HZ1 LYS A 95 -1.264 -18.126 -4.227 1.00 21.23 H new ATOM 0 HZ2 LYS A 95 -0.027 -17.999 -3.070 1.00 21.23 H new ATOM 0 HZ3 LYS A 95 -0.225 -16.783 -4.239 1.00 21.23 H new ATOM 1521 N ASP A 96 4.656 -13.278 -4.362 1.00 2.32 N ATOM 1522 CA ASP A 96 5.719 -12.541 -3.690 1.00 15.55 C ATOM 1523 C ASP A 96 6.120 -11.309 -4.497 1.00 14.14 C ATOM 1524 O ASP A 96 5.569 -11.047 -5.566 1.00 25.25 O ATOM 1525 CB ASP A 96 6.936 -13.442 -3.473 1.00 4.33 C ATOM 1526 CG ASP A 96 7.153 -14.407 -4.621 1.00 20.34 C ATOM 1527 OD1 ASP A 96 7.536 -13.949 -5.719 1.00 71.34 O ATOM 1528 OD2 ASP A 96 6.939 -15.622 -4.423 1.00 62.22 O ATOM 0 H ASP A 96 4.322 -12.845 -5.223 1.00 2.32 H new ATOM 0 HA ASP A 96 5.343 -12.212 -2.721 1.00 15.55 H new ATOM 0 HB2 ASP A 96 7.825 -12.824 -3.349 1.00 4.33 H new ATOM 0 HB3 ASP A 96 6.808 -14.005 -2.548 1.00 4.33 H new ATOM 1533 N THR A 97 7.084 -10.556 -3.978 1.00 53.34 N ATOM 1534 CA THR A 97 7.558 -9.351 -4.648 1.00 70.33 C ATOM 1535 C THR A 97 8.240 -9.689 -5.970 1.00 45.44 C ATOM 1536 O THR A 97 8.607 -8.798 -6.736 1.00 51.13 O ATOM 1537 CB THR A 97 8.542 -8.565 -3.762 1.00 74.12 C ATOM 1538 OG1 THR A 97 7.981 -8.370 -2.459 1.00 3.20 O ATOM 1539 CG2 THR A 97 8.873 -7.217 -4.385 1.00 74.05 C ATOM 0 H THR A 97 7.552 -10.759 -3.095 1.00 53.34 H new ATOM 0 HA THR A 97 6.682 -8.732 -4.842 1.00 70.33 H new ATOM 0 HB THR A 97 9.462 -9.144 -3.677 1.00 74.12 H new ATOM 0 HG1 THR A 97 8.611 -8.691 -1.780 1.00 3.20 H new ATOM 0 HG21 THR A 97 9.570 -6.680 -3.741 1.00 74.05 H new ATOM 0 HG22 THR A 97 9.328 -7.370 -5.364 1.00 74.05 H new ATOM 0 HG23 THR A 97 7.959 -6.634 -4.497 1.00 74.05 H new ATOM 1547 N LYS A 98 8.405 -10.981 -6.231 1.00 2.40 N ATOM 1548 CA LYS A 98 9.041 -11.438 -7.461 1.00 45.12 C ATOM 1549 C LYS A 98 7.999 -11.712 -8.542 1.00 52.34 C ATOM 1550 O LYS A 98 7.981 -11.049 -9.579 1.00 21.33 O ATOM 1551 CB LYS A 98 9.861 -12.703 -7.196 1.00 41.22 C ATOM 1552 CG LYS A 98 11.164 -12.756 -7.974 1.00 3.42 C ATOM 1553 CD LYS A 98 10.959 -13.330 -9.366 1.00 32.22 C ATOM 1554 CE LYS A 98 12.136 -13.017 -10.277 1.00 53.10 C ATOM 1555 NZ LYS A 98 12.215 -11.566 -10.602 1.00 53.22 N ATOM 0 H LYS A 98 8.107 -11.731 -5.607 1.00 2.40 H new ATOM 0 HA LYS A 98 9.706 -10.649 -7.812 1.00 45.12 H new ATOM 0 HB2 LYS A 98 10.081 -12.767 -6.130 1.00 41.22 H new ATOM 0 HB3 LYS A 98 9.260 -13.576 -7.450 1.00 41.22 H new ATOM 0 HG2 LYS A 98 11.584 -11.753 -8.051 1.00 3.42 H new ATOM 0 HG3 LYS A 98 11.888 -13.364 -7.432 1.00 3.42 H new ATOM 0 HD2 LYS A 98 10.826 -14.410 -9.299 1.00 32.22 H new ATOM 0 HD3 LYS A 98 10.045 -12.922 -9.798 1.00 32.22 H new ATOM 0 HE2 LYS A 98 13.062 -13.332 -9.796 1.00 53.10 H new ATOM 0 HE3 LYS A 98 12.044 -13.591 -11.199 1.00 53.10 H new ATOM 0 HZ1 LYS A 98 12.801 -11.432 -11.450 1.00 53.22 H new ATOM 0 HZ2 LYS A 98 11.259 -11.198 -10.780 1.00 53.22 H new ATOM 0 HZ3 LYS A 98 12.640 -11.054 -9.803 1.00 53.22 H new ATOM 1569 N GLU A 99 7.136 -12.690 -8.291 1.00 61.12 N ATOM 1570 CA GLU A 99 6.091 -13.050 -9.244 1.00 15.31 C ATOM 1571 C GLU A 99 5.165 -11.866 -9.507 1.00 5.10 C ATOM 1572 O GLU A 99 4.495 -11.806 -10.538 1.00 40.32 O ATOM 1573 CB GLU A 99 5.283 -14.240 -8.724 1.00 44.34 C ATOM 1574 CG GLU A 99 6.002 -15.571 -8.862 1.00 53.33 C ATOM 1575 CD GLU A 99 6.080 -16.046 -10.300 1.00 41.14 C ATOM 1576 OE1 GLU A 99 5.064 -15.930 -11.018 1.00 52.25 O ATOM 1577 OE2 GLU A 99 7.154 -16.534 -10.707 1.00 34.33 O ATOM 0 H GLU A 99 7.139 -13.248 -7.437 1.00 61.12 H new ATOM 0 HA GLU A 99 6.570 -13.330 -10.182 1.00 15.31 H new ATOM 0 HB2 GLU A 99 5.042 -14.074 -7.674 1.00 44.34 H new ATOM 0 HB3 GLU A 99 4.337 -14.290 -9.264 1.00 44.34 H new ATOM 0 HG2 GLU A 99 7.010 -15.478 -8.459 1.00 53.33 H new ATOM 0 HG3 GLU A 99 5.487 -16.322 -8.263 1.00 53.33 H new ATOM 1584 N ALA A 100 5.130 -10.928 -8.565 1.00 10.15 N ATOM 1585 CA ALA A 100 4.286 -9.747 -8.695 1.00 15.05 C ATOM 1586 C ALA A 100 4.875 -8.759 -9.698 1.00 61.40 C ATOM 1587 O ALA A 100 4.202 -8.340 -10.640 1.00 30.01 O ATOM 1588 CB ALA A 100 4.102 -9.079 -7.340 1.00 25.55 C ATOM 0 H ALA A 100 5.676 -10.964 -7.704 1.00 10.15 H new ATOM 0 HA ALA A 100 3.312 -10.065 -9.067 1.00 15.05 H new ATOM 0 HB1 ALA A 100 3.470 -8.198 -7.451 1.00 25.55 H new ATOM 0 HB2 ALA A 100 3.631 -9.779 -6.650 1.00 25.55 H new ATOM 0 HB3 ALA A 100 5.074 -8.781 -6.947 1.00 25.55 H new ATOM 1594 N LEU A 101 6.135 -8.392 -9.489 1.00 24.01 N ATOM 1595 CA LEU A 101 6.814 -7.452 -10.374 1.00 11.24 C ATOM 1596 C LEU A 101 6.782 -7.945 -11.818 1.00 55.30 C ATOM 1597 O LEU A 101 6.597 -7.159 -12.747 1.00 30.55 O ATOM 1598 CB LEU A 101 8.261 -7.252 -9.923 1.00 54.42 C ATOM 1599 CG LEU A 101 8.823 -5.837 -10.075 1.00 4.24 C ATOM 1600 CD1 LEU A 101 8.764 -5.394 -11.529 1.00 1.41 C ATOM 1601 CD2 LEU A 101 8.061 -4.864 -9.187 1.00 12.33 C ATOM 0 H LEU A 101 6.706 -8.731 -8.715 1.00 24.01 H new ATOM 0 HA LEU A 101 6.289 -6.498 -10.323 1.00 11.24 H new ATOM 0 HB2 LEU A 101 8.337 -7.541 -8.875 1.00 54.42 H new ATOM 0 HB3 LEU A 101 8.894 -7.936 -10.488 1.00 54.42 H new ATOM 0 HG LEU A 101 9.867 -5.844 -9.761 1.00 4.24 H new ATOM 0 HD11 LEU A 101 9.168 -4.385 -11.619 1.00 1.41 H new ATOM 0 HD12 LEU A 101 9.353 -6.077 -12.141 1.00 1.41 H new ATOM 0 HD13 LEU A 101 7.729 -5.402 -11.870 1.00 1.41 H new ATOM 0 HD21 LEU A 101 8.473 -3.862 -9.307 1.00 12.33 H new ATOM 0 HD22 LEU A 101 7.009 -4.860 -9.471 1.00 12.33 H new ATOM 0 HD23 LEU A 101 8.154 -5.172 -8.146 1.00 12.33 H new ATOM 1613 N ASP A 102 6.963 -9.248 -11.996 1.00 30.14 N ATOM 1614 CA ASP A 102 6.952 -9.847 -13.326 1.00 52.40 C ATOM 1615 C ASP A 102 5.601 -9.639 -14.004 1.00 33.15 C ATOM 1616 O ASP A 102 5.533 -9.309 -15.189 1.00 1.01 O ATOM 1617 CB ASP A 102 7.269 -11.340 -13.240 1.00 62.23 C ATOM 1618 CG ASP A 102 8.738 -11.607 -12.975 1.00 23.01 C ATOM 1619 OD1 ASP A 102 9.333 -10.883 -12.148 1.00 1.14 O ATOM 1620 OD2 ASP A 102 9.292 -12.539 -13.594 1.00 42.10 O ATOM 0 H ASP A 102 7.119 -9.911 -11.236 1.00 30.14 H new ATOM 0 HA ASP A 102 7.719 -9.356 -13.925 1.00 52.40 H new ATOM 0 HB2 ASP A 102 6.672 -11.790 -12.446 1.00 62.23 H new ATOM 0 HB3 ASP A 102 6.977 -11.824 -14.172 1.00 62.23 H new