USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=16 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= 1.26 USER MOD Set 1.2: A 97 THR OG1 : rot 134:sc= 1.34 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= -0.214 (180deg=-0.707) 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= 1.08 K(o=1.1,f=-0.14) 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= 0.615 K(o=0.62,f=-6.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.029) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.264 USER MOD Single : A 54 SER OG : rot 180:sc= -0.377 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 65 GLN : amide:sc=-0.00179 X(o=-0.0018,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 -54:sc= 0.855 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0321 USER MOD Single : A 77 SER OG : rot -94:sc= 1.57 USER MOD Single : A 79 TYR OH : rot 30:sc= -0.034 USER MOD Single : A 80 ASN : amide:sc= -0.233 K(o=-0.23,f=-4!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0907 USER MOD Single : A 89 HIS : no HE2:sc= -3.66! C(o=-3.7!,f=-5.3!) USER MOD Single : A 90 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.3!) 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 -6.807 -4.918 2.595 1.00 3.34 N ATOM 139 CA LEU A 13 -5.812 -4.807 3.655 1.00 13.02 C ATOM 140 C LEU A 13 -5.309 -6.185 4.076 1.00 13.33 C ATOM 141 O LEU A 13 -4.114 -6.379 4.298 1.00 55.32 O ATOM 142 CB LEU A 13 -6.402 -4.077 4.862 1.00 41.42 C ATOM 143 CG LEU A 13 -5.402 -3.355 5.765 1.00 11.00 C ATOM 144 CD1 LEU A 13 -6.129 -2.486 6.780 1.00 34.14 C ATOM 145 CD2 LEU A 13 -4.498 -4.357 6.469 1.00 4.12 C ATOM 0 HA LEU A 13 -4.969 -4.234 3.269 1.00 13.02 H new ATOM 0 HB2 LEU A 13 -7.127 -3.348 4.501 1.00 41.42 H new ATOM 0 HB3 LEU A 13 -6.950 -4.800 5.466 1.00 41.42 H new ATOM 0 HG LEU A 13 -4.781 -2.710 5.143 1.00 11.00 H new ATOM 0 HD11 LEU A 13 -5.401 -1.980 7.414 1.00 34.14 H new ATOM 0 HD12 LEU A 13 -6.733 -1.744 6.258 1.00 34.14 H new ATOM 0 HD13 LEU A 13 -6.775 -3.110 7.397 1.00 34.14 H new ATOM 0 HD21 LEU A 13 -3.793 -3.825 7.107 1.00 4.12 H new ATOM 0 HD22 LEU A 13 -5.104 -5.028 7.078 1.00 4.12 H new ATOM 0 HD23 LEU A 13 -3.949 -4.936 5.726 1.00 4.12 H new ATOM 157 N ASP A 14 -6.228 -7.137 4.181 1.00 31.44 N ATOM 158 CA ASP A 14 -5.878 -8.498 4.571 1.00 73.05 C ATOM 159 C ASP A 14 -4.909 -9.118 3.570 1.00 71.44 C ATOM 160 O ASP A 14 -3.911 -9.731 3.952 1.00 22.53 O ATOM 161 CB ASP A 14 -7.137 -9.359 4.683 1.00 71.41 C ATOM 162 CG ASP A 14 -7.048 -10.373 5.807 1.00 35.32 C ATOM 163 OD1 ASP A 14 -6.979 -9.952 6.981 1.00 31.33 O ATOM 164 OD2 ASP A 14 -7.047 -11.586 5.513 1.00 64.32 O ATOM 0 H ASP A 14 -7.222 -6.992 4.002 1.00 31.44 H new ATOM 0 HA ASP A 14 -5.389 -8.456 5.544 1.00 73.05 H new ATOM 0 HB2 ASP A 14 -8.001 -8.715 4.847 1.00 71.41 H new ATOM 0 HB3 ASP A 14 -7.302 -9.880 3.740 1.00 71.41 H new ATOM 169 N LYS A 15 -5.210 -8.957 2.286 1.00 74.10 N ATOM 170 CA LYS A 15 -4.366 -9.501 1.228 1.00 14.24 C ATOM 171 C LYS A 15 -2.988 -8.847 1.241 1.00 54.32 C ATOM 172 O LYS A 15 -1.978 -9.499 0.975 1.00 24.35 O ATOM 173 CB LYS A 15 -5.027 -9.294 -0.137 1.00 60.53 C ATOM 174 CG LYS A 15 -5.474 -10.587 -0.798 1.00 15.13 C ATOM 175 CD LYS A 15 -6.508 -10.331 -1.881 1.00 52.33 C ATOM 176 CE LYS A 15 -5.864 -10.234 -3.256 1.00 73.23 C ATOM 177 NZ LYS A 15 -6.639 -9.351 -4.171 1.00 63.51 N ATOM 0 H LYS A 15 -6.032 -8.454 1.952 1.00 74.10 H new ATOM 0 HA LYS A 15 -4.244 -10.569 1.408 1.00 14.24 H new ATOM 0 HB2 LYS A 15 -5.890 -8.639 -0.018 1.00 60.53 H new ATOM 0 HB3 LYS A 15 -4.327 -8.782 -0.797 1.00 60.53 H new ATOM 0 HG2 LYS A 15 -4.611 -11.093 -1.230 1.00 15.13 H new ATOM 0 HG3 LYS A 15 -5.892 -11.256 -0.046 1.00 15.13 H new ATOM 0 HD2 LYS A 15 -7.245 -11.134 -1.879 1.00 52.33 H new ATOM 0 HD3 LYS A 15 -7.043 -9.407 -1.663 1.00 52.33 H new ATOM 0 HE2 LYS A 15 -4.849 -9.851 -3.155 1.00 73.23 H new ATOM 0 HE3 LYS A 15 -5.787 -11.230 -3.692 1.00 73.23 H new ATOM 0 HZ1 LYS A 15 -6.167 -9.311 -5.097 1.00 63.51 H new ATOM 0 HZ2 LYS A 15 -7.600 -9.730 -4.288 1.00 63.51 H new ATOM 0 HZ3 LYS A 15 -6.691 -8.394 -3.768 1.00 63.51 H new ATOM 191 N TRP A 16 -2.953 -7.557 1.554 1.00 21.14 N ATOM 192 CA TRP A 16 -1.698 -6.816 1.602 1.00 53.44 C ATOM 193 C TRP A 16 -0.705 -7.488 2.544 1.00 44.55 C ATOM 194 O TRP A 16 0.492 -7.538 2.265 1.00 5.34 O ATOM 195 CB TRP A 16 -1.950 -5.375 2.051 1.00 34.23 C ATOM 196 CG TRP A 16 -0.690 -4.591 2.266 1.00 24.43 C ATOM 197 CD1 TRP A 16 -0.077 -4.337 3.459 1.00 33.01 C ATOM 198 CD2 TRP A 16 0.106 -3.958 1.258 1.00 54.14 C ATOM 199 NE1 TRP A 16 1.055 -3.584 3.254 1.00 2.21 N ATOM 200 CE2 TRP A 16 1.189 -3.338 1.914 1.00 31.23 C ATOM 201 CE3 TRP A 16 0.012 -3.855 -0.132 1.00 40.11 C ATOM 202 CZ2 TRP A 16 2.167 -2.627 1.224 1.00 13.15 C ATOM 203 CZ3 TRP A 16 0.984 -3.147 -0.815 1.00 63.54 C ATOM 204 CH2 TRP A 16 2.051 -2.542 -0.137 1.00 63.33 C ATOM 0 H TRP A 16 -3.779 -7.002 1.778 1.00 21.14 H new ATOM 0 HA TRP A 16 -1.271 -6.808 0.599 1.00 53.44 H new ATOM 0 HB2 TRP A 16 -2.560 -4.870 1.302 1.00 34.23 H new ATOM 0 HB3 TRP A 16 -2.525 -5.386 2.977 1.00 34.23 H new ATOM 0 HD1 TRP A 16 -0.429 -4.677 4.422 1.00 33.01 H new ATOM 0 HE1 TRP A 16 1.692 -3.261 3.982 1.00 2.21 H new ATOM 0 HE3 TRP A 16 -0.805 -4.320 -0.664 1.00 40.11 H new ATOM 0 HZ2 TRP A 16 2.989 -2.159 1.745 1.00 13.15 H new ATOM 0 HZ3 TRP A 16 0.920 -3.059 -1.889 1.00 63.54 H new ATOM 0 HH2 TRP A 16 2.796 -1.998 -0.699 1.00 63.33 H new ATOM 215 N GLU A 17 -1.211 -8.003 3.661 1.00 23.21 N ATOM 216 CA GLU A 17 -0.367 -8.672 4.644 1.00 31.03 C ATOM 217 C GLU A 17 -0.148 -10.134 4.267 1.00 61.12 C ATOM 218 O GLU A 17 0.739 -10.799 4.803 1.00 64.40 O ATOM 219 CB GLU A 17 -0.996 -8.581 6.036 1.00 15.23 C ATOM 220 CG GLU A 17 -0.725 -7.261 6.740 1.00 32.35 C ATOM 221 CD GLU A 17 -1.052 -7.312 8.220 1.00 74.22 C ATOM 222 OE1 GLU A 17 -2.140 -7.816 8.569 1.00 41.11 O ATOM 223 OE2 GLU A 17 -0.220 -6.849 9.028 1.00 31.53 O ATOM 0 H GLU A 17 -2.200 -7.970 3.907 1.00 23.21 H new ATOM 0 HA GLU A 17 0.600 -8.169 4.657 1.00 31.03 H new ATOM 0 HB2 GLU A 17 -2.073 -8.723 5.949 1.00 15.23 H new ATOM 0 HB3 GLU A 17 -0.616 -9.396 6.651 1.00 15.23 H new ATOM 0 HG2 GLU A 17 0.324 -6.994 6.612 1.00 32.35 H new ATOM 0 HG3 GLU A 17 -1.314 -6.474 6.268 1.00 32.35 H new ATOM 230 N LYS A 18 -0.963 -10.629 3.343 1.00 31.42 N ATOM 231 CA LYS A 18 -0.860 -12.013 2.893 1.00 62.20 C ATOM 232 C LYS A 18 0.174 -12.147 1.780 1.00 71.43 C ATOM 233 O LYS A 18 0.520 -13.257 1.373 1.00 74.34 O ATOM 234 CB LYS A 18 -2.221 -12.513 2.402 1.00 31.51 C ATOM 235 CG LYS A 18 -2.481 -13.977 2.718 1.00 1.31 C ATOM 236 CD LYS A 18 -3.824 -14.168 3.404 1.00 34.14 C ATOM 237 CE LYS A 18 -4.969 -14.145 2.403 1.00 13.11 C ATOM 238 NZ LYS A 18 -5.692 -12.843 2.419 1.00 63.03 N ATOM 0 H LYS A 18 -1.703 -10.093 2.890 1.00 31.42 H new ATOM 0 HA LYS A 18 -0.539 -12.622 3.738 1.00 62.20 H new ATOM 0 HB2 LYS A 18 -3.006 -11.907 2.854 1.00 31.51 H new ATOM 0 HB3 LYS A 18 -2.286 -12.365 1.324 1.00 31.51 H new ATOM 0 HG2 LYS A 18 -2.455 -14.559 1.797 1.00 1.31 H new ATOM 0 HG3 LYS A 18 -1.686 -14.359 3.359 1.00 1.31 H new ATOM 0 HD2 LYS A 18 -3.828 -15.116 3.941 1.00 34.14 H new ATOM 0 HD3 LYS A 18 -3.971 -13.382 4.144 1.00 34.14 H new ATOM 0 HE2 LYS A 18 -4.580 -14.333 1.402 1.00 13.11 H new ATOM 0 HE3 LYS A 18 -5.667 -14.951 2.630 1.00 13.11 H new ATOM 0 HZ1 LYS A 18 -6.095 -12.658 1.478 1.00 63.03 H new ATOM 0 HZ2 LYS A 18 -6.458 -12.880 3.122 1.00 63.03 H new ATOM 0 HZ3 LYS A 18 -5.029 -12.081 2.668 1.00 63.03 H new ATOM 252 N ILE A 19 0.664 -11.012 1.294 1.00 33.33 N ATOM 253 CA ILE A 19 1.661 -11.005 0.231 1.00 35.14 C ATOM 254 C ILE A 19 3.069 -11.157 0.796 1.00 34.33 C ATOM 255 O ILE A 19 3.415 -10.541 1.804 1.00 11.54 O ATOM 256 CB ILE A 19 1.591 -9.710 -0.598 1.00 14.42 C ATOM 257 CG1 ILE A 19 0.211 -9.565 -1.244 1.00 71.21 C ATOM 258 CG2 ILE A 19 2.682 -9.699 -1.659 1.00 25.34 C ATOM 259 CD1 ILE A 19 -0.271 -8.134 -1.326 1.00 23.42 C ATOM 0 H ILE A 19 0.387 -10.086 1.619 1.00 33.33 H new ATOM 0 HA ILE A 19 1.438 -11.854 -0.416 1.00 35.14 H new ATOM 0 HB ILE A 19 1.751 -8.862 0.068 1.00 14.42 H new ATOM 0 HG12 ILE A 19 0.243 -9.987 -2.248 1.00 71.21 H new ATOM 0 HG13 ILE A 19 -0.511 -10.151 -0.675 1.00 71.21 H new ATOM 0 HG21 ILE A 19 2.619 -8.777 -2.236 1.00 25.34 H new ATOM 0 HG22 ILE A 19 3.658 -9.760 -1.178 1.00 25.34 H new ATOM 0 HG23 ILE A 19 2.552 -10.553 -2.324 1.00 25.34 H new ATOM 0 HD11 ILE A 19 -1.255 -8.108 -1.795 1.00 23.42 H new ATOM 0 HD12 ILE A 19 -0.336 -7.714 -0.322 1.00 23.42 H new ATOM 0 HD13 ILE A 19 0.430 -7.548 -1.920 1.00 23.42 H new ATOM 271 N ARG A 20 3.879 -11.982 0.139 1.00 71.51 N ATOM 272 CA ARG A 20 5.251 -12.215 0.576 1.00 24.01 C ATOM 273 C ARG A 20 6.167 -11.086 0.116 1.00 31.34 C ATOM 274 O ARG A 20 5.754 -10.207 -0.643 1.00 33.12 O ATOM 275 CB ARG A 20 5.759 -13.553 0.036 1.00 74.14 C ATOM 276 CG ARG A 20 5.542 -14.717 0.988 1.00 53.05 C ATOM 277 CD ARG A 20 5.156 -15.984 0.242 1.00 11.25 C ATOM 278 NE ARG A 20 3.747 -15.984 -0.143 1.00 25.33 N ATOM 279 CZ ARG A 20 2.749 -16.112 0.723 1.00 42.44 C ATOM 280 NH1 ARG A 20 3.003 -16.248 2.018 1.00 20.34 N ATOM 281 NH2 ARG A 20 1.492 -16.102 0.297 1.00 23.53 N ATOM 0 H ARG A 20 3.609 -12.500 -0.697 1.00 71.51 H new ATOM 0 HA ARG A 20 5.260 -12.244 1.666 1.00 24.01 H new ATOM 0 HB2 ARG A 20 5.257 -13.768 -0.907 1.00 74.14 H new ATOM 0 HB3 ARG A 20 6.824 -13.466 -0.182 1.00 74.14 H new ATOM 0 HG2 ARG A 20 6.452 -14.894 1.561 1.00 53.05 H new ATOM 0 HG3 ARG A 20 4.760 -14.462 1.703 1.00 53.05 H new ATOM 0 HD2 ARG A 20 5.775 -16.083 -0.649 1.00 11.25 H new ATOM 0 HD3 ARG A 20 5.360 -16.851 0.870 1.00 11.25 H new ATOM 0 HE ARG A 20 3.517 -15.880 -1.131 1.00 25.33 H new ATOM 0 HH11 ARG A 20 3.967 -16.254 2.351 1.00 20.34 H new ATOM 0 HH12 ARG A 20 2.234 -16.346 2.681 1.00 20.34 H new ATOM 0 HH21 ARG A 20 1.291 -15.996 -0.697 1.00 23.53 H new ATOM 0 HH22 ARG A 20 0.727 -16.201 0.964 1.00 23.53 H new ATOM 295 N LEU A 21 7.412 -11.115 0.579 1.00 0.12 N ATOM 296 CA LEU A 21 8.387 -10.093 0.214 1.00 75.44 C ATOM 297 C LEU A 21 9.394 -10.637 -0.795 1.00 31.01 C ATOM 298 O LEU A 21 9.727 -9.971 -1.775 1.00 13.34 O ATOM 299 CB LEU A 21 9.119 -9.592 1.460 1.00 53.42 C ATOM 300 CG LEU A 21 8.234 -9.086 2.600 1.00 44.13 C ATOM 301 CD1 LEU A 21 9.081 -8.468 3.701 1.00 15.42 C ATOM 302 CD2 LEU A 21 7.217 -8.081 2.079 1.00 40.52 C ATOM 0 H LEU A 21 7.770 -11.834 1.207 1.00 0.12 H new ATOM 0 HA LEU A 21 7.851 -9.262 -0.246 1.00 75.44 H new ATOM 0 HB2 LEU A 21 9.741 -10.402 1.842 1.00 53.42 H new ATOM 0 HB3 LEU A 21 9.791 -8.787 1.163 1.00 53.42 H new ATOM 0 HG LEU A 21 7.695 -9.935 3.020 1.00 44.13 H new ATOM 0 HD11 LEU A 21 8.433 -8.114 4.503 1.00 15.42 H new ATOM 0 HD12 LEU A 21 9.769 -9.216 4.094 1.00 15.42 H new ATOM 0 HD13 LEU A 21 9.649 -7.630 3.296 1.00 15.42 H new ATOM 0 HD21 LEU A 21 6.596 -7.731 2.904 1.00 40.52 H new ATOM 0 HD22 LEU A 21 7.738 -7.234 1.633 1.00 40.52 H new ATOM 0 HD23 LEU A 21 6.588 -8.557 1.327 1.00 40.52 H new ATOM 314 N ARG A 22 9.873 -11.853 -0.549 1.00 13.53 N ATOM 315 CA ARG A 22 10.840 -12.486 -1.438 1.00 42.53 C ATOM 316 C ARG A 22 10.203 -13.645 -2.197 1.00 21.42 C ATOM 317 O ARG A 22 9.107 -14.104 -1.874 1.00 5.55 O ATOM 318 CB ARG A 22 12.045 -12.987 -0.640 1.00 14.32 C ATOM 319 CG ARG A 22 13.268 -12.091 -0.756 1.00 20.44 C ATOM 320 CD ARG A 22 13.950 -11.901 0.589 1.00 4.41 C ATOM 321 NE ARG A 22 14.724 -13.075 0.982 1.00 22.43 N ATOM 322 CZ ARG A 22 15.189 -13.272 2.210 1.00 22.31 C ATOM 323 NH1 ARG A 22 14.959 -12.376 3.161 1.00 21.52 N ATOM 324 NH2 ARG A 22 15.885 -14.367 2.491 1.00 23.35 N ATOM 0 H ARG A 22 9.607 -12.418 0.257 1.00 13.53 H new ATOM 0 HA ARG A 22 11.174 -11.741 -2.160 1.00 42.53 H new ATOM 0 HB2 ARG A 22 11.765 -13.071 0.410 1.00 14.32 H new ATOM 0 HB3 ARG A 22 12.305 -13.989 -0.982 1.00 14.32 H new ATOM 0 HG2 ARG A 22 13.973 -12.526 -1.464 1.00 20.44 H new ATOM 0 HG3 ARG A 22 12.973 -11.121 -1.156 1.00 20.44 H new ATOM 0 HD2 ARG A 22 14.607 -11.033 0.542 1.00 4.41 H new ATOM 0 HD3 ARG A 22 13.198 -11.691 1.350 1.00 4.41 H new ATOM 0 HE ARG A 22 14.918 -13.783 0.274 1.00 22.43 H new ATOM 0 HH11 ARG A 22 14.424 -11.534 2.950 1.00 21.52 H new ATOM 0 HH12 ARG A 22 15.317 -12.529 4.104 1.00 21.52 H new ATOM 0 HH21 ARG A 22 16.063 -15.059 1.763 1.00 23.35 H new ATOM 0 HH22 ARG A 22 16.241 -14.517 3.435 1.00 23.35 H new ATOM 338 N PRO A 23 10.904 -14.131 -3.233 1.00 64.41 N ATOM 339 CA PRO A 23 10.425 -15.243 -4.060 1.00 34.03 C ATOM 340 C PRO A 23 10.430 -16.570 -3.307 1.00 12.13 C ATOM 341 O PRO A 23 9.433 -17.290 -3.294 1.00 33.25 O ATOM 342 CB PRO A 23 11.428 -15.282 -5.216 1.00 20.14 C ATOM 343 CG PRO A 23 12.670 -14.675 -4.661 1.00 50.32 C ATOM 344 CD PRO A 23 12.217 -13.634 -3.674 1.00 51.41 C ATOM 0 HA PRO A 23 9.392 -15.100 -4.377 1.00 34.03 H new ATOM 0 HB2 PRO A 23 11.603 -16.303 -5.554 1.00 20.14 H new ATOM 0 HB3 PRO A 23 11.063 -14.720 -6.076 1.00 20.14 H new ATOM 0 HG2 PRO A 23 13.290 -15.429 -4.176 1.00 50.32 H new ATOM 0 HG3 PRO A 23 13.273 -14.227 -5.451 1.00 50.32 H new ATOM 0 HD2 PRO A 23 12.913 -13.542 -2.840 1.00 51.41 H new ATOM 0 HD3 PRO A 23 12.140 -12.649 -4.135 1.00 51.41 H new ATOM 352 N GLY A 24 11.559 -16.886 -2.680 1.00 51.43 N ATOM 353 CA GLY A 24 11.671 -18.124 -1.933 1.00 63.32 C ATOM 354 C GLY A 24 11.805 -17.893 -0.441 1.00 30.12 C ATOM 355 O GLY A 24 12.540 -18.605 0.241 1.00 1.31 O ATOM 0 H GLY A 24 12.398 -16.306 -2.676 1.00 51.43 H new ATOM 0 HA2 GLY A 24 10.793 -18.740 -2.124 1.00 63.32 H new ATOM 0 HA3 GLY A 24 12.536 -18.683 -2.290 1.00 63.32 H new ATOM 359 N GLY A 25 11.092 -16.892 0.067 1.00 14.14 N ATOM 360 CA GLY A 25 11.151 -16.584 1.484 1.00 64.32 C ATOM 361 C GLY A 25 9.829 -16.827 2.185 1.00 1.10 C ATOM 362 O GLY A 25 8.934 -17.470 1.635 1.00 53.23 O ATOM 0 H GLY A 25 10.475 -16.289 -0.477 1.00 14.14 H new ATOM 0 HA2 GLY A 25 11.925 -17.192 1.953 1.00 64.32 H new ATOM 0 HA3 GLY A 25 11.442 -15.542 1.614 1.00 64.32 H new ATOM 366 N LYS A 26 9.704 -16.311 3.403 1.00 32.33 N ATOM 367 CA LYS A 26 8.481 -16.475 4.182 1.00 34.23 C ATOM 368 C LYS A 26 8.023 -15.141 4.761 1.00 10.43 C ATOM 369 O LYS A 26 7.038 -15.077 5.497 1.00 11.13 O ATOM 370 CB LYS A 26 8.703 -17.484 5.311 1.00 13.14 C ATOM 371 CG LYS A 26 8.106 -18.853 5.030 1.00 13.52 C ATOM 372 CD LYS A 26 8.888 -19.955 5.725 1.00 42.13 C ATOM 373 CE LYS A 26 9.341 -21.021 4.741 1.00 31.24 C ATOM 374 NZ LYS A 26 10.244 -22.018 5.381 1.00 34.23 N ATOM 0 H LYS A 26 10.434 -15.776 3.873 1.00 32.33 H new ATOM 0 HA LYS A 26 7.703 -16.849 3.517 1.00 34.23 H new ATOM 0 HB2 LYS A 26 9.774 -17.593 5.485 1.00 13.14 H new ATOM 0 HB3 LYS A 26 8.269 -17.090 6.230 1.00 13.14 H new ATOM 0 HG2 LYS A 26 7.069 -18.875 5.365 1.00 13.52 H new ATOM 0 HG3 LYS A 26 8.098 -19.034 3.955 1.00 13.52 H new ATOM 0 HD2 LYS A 26 9.757 -19.527 6.225 1.00 42.13 H new ATOM 0 HD3 LYS A 26 8.269 -20.411 6.497 1.00 42.13 H new ATOM 0 HE2 LYS A 26 8.469 -21.531 4.331 1.00 31.24 H new ATOM 0 HE3 LYS A 26 9.856 -20.548 3.905 1.00 31.24 H new ATOM 0 HZ1 LYS A 26 10.531 -22.728 4.678 1.00 34.23 H new ATOM 0 HZ2 LYS A 26 11.088 -21.535 5.750 1.00 34.23 H new ATOM 0 HZ3 LYS A 26 9.744 -22.488 6.163 1.00 34.23 H new ATOM 388 N LYS A 27 8.742 -14.075 4.422 1.00 64.22 N ATOM 389 CA LYS A 27 8.407 -12.742 4.905 1.00 4.31 C ATOM 390 C LYS A 27 7.208 -12.175 4.152 1.00 0.32 C ATOM 391 O LYS A 27 7.070 -12.376 2.945 1.00 64.34 O ATOM 392 CB LYS A 27 9.608 -11.805 4.753 1.00 31.33 C ATOM 393 CG LYS A 27 10.770 -12.151 5.668 1.00 24.23 C ATOM 394 CD LYS A 27 12.065 -11.517 5.190 1.00 1.21 C ATOM 395 CE LYS A 27 12.970 -11.151 6.356 1.00 4.33 C ATOM 396 NZ LYS A 27 13.496 -9.762 6.235 1.00 23.11 N ATOM 0 H LYS A 27 9.560 -14.110 3.814 1.00 64.22 H new ATOM 0 HA LYS A 27 8.146 -12.821 5.960 1.00 4.31 H new ATOM 0 HB2 LYS A 27 9.951 -11.832 3.719 1.00 31.33 H new ATOM 0 HB3 LYS A 27 9.289 -10.783 4.956 1.00 31.33 H new ATOM 0 HG2 LYS A 27 10.550 -11.812 6.680 1.00 24.23 H new ATOM 0 HG3 LYS A 27 10.889 -13.234 5.713 1.00 24.23 H new ATOM 0 HD2 LYS A 27 12.586 -12.207 4.526 1.00 1.21 H new ATOM 0 HD3 LYS A 27 11.841 -10.623 4.608 1.00 1.21 H new ATOM 0 HE2 LYS A 27 12.417 -11.250 7.290 1.00 4.33 H new ATOM 0 HE3 LYS A 27 13.803 -11.852 6.403 1.00 4.33 H new ATOM 0 HZ1 LYS A 27 14.108 -9.551 7.049 1.00 23.11 H new ATOM 0 HZ2 LYS A 27 14.045 -9.674 5.356 1.00 23.11 H new ATOM 0 HZ3 LYS A 27 12.702 -9.091 6.216 1.00 23.11 H new ATOM 410 N GLN A 28 6.345 -11.464 4.870 1.00 53.43 N ATOM 411 CA GLN A 28 5.159 -10.867 4.269 1.00 30.25 C ATOM 412 C GLN A 28 5.232 -9.344 4.315 1.00 20.03 C ATOM 413 O GLN A 28 6.241 -8.774 4.730 1.00 44.20 O ATOM 414 CB GLN A 28 3.899 -11.351 4.987 1.00 4.11 C ATOM 415 CG GLN A 28 3.886 -12.848 5.252 1.00 3.23 C ATOM 416 CD GLN A 28 4.017 -13.181 6.725 1.00 24.44 C ATOM 417 OE1 GLN A 28 3.290 -12.644 7.562 1.00 33.20 O ATOM 418 NE2 GLN A 28 4.947 -14.071 7.050 1.00 51.42 N ATOM 0 H GLN A 28 6.445 -11.287 5.870 1.00 53.43 H new ATOM 0 HA GLN A 28 5.116 -11.178 3.225 1.00 30.25 H new ATOM 0 HB2 GLN A 28 3.806 -10.822 5.935 1.00 4.11 H new ATOM 0 HB3 GLN A 28 3.027 -11.089 4.388 1.00 4.11 H new ATOM 0 HG2 GLN A 28 2.958 -13.273 4.868 1.00 3.23 H new ATOM 0 HG3 GLN A 28 4.703 -13.317 4.703 1.00 3.23 H new ATOM 0 HE21 GLN A 28 5.527 -14.491 6.324 1.00 51.42 H new ATOM 0 HE22 GLN A 28 5.081 -14.335 8.026 1.00 51.42 H new ATOM 427 N TYR A 29 4.157 -8.692 3.885 1.00 73.01 N ATOM 428 CA TYR A 29 4.100 -7.235 3.875 1.00 74.03 C ATOM 429 C TYR A 29 3.321 -6.712 5.077 1.00 44.02 C ATOM 430 O TYR A 29 2.416 -7.376 5.582 1.00 63.21 O ATOM 431 CB TYR A 29 3.457 -6.738 2.579 1.00 61.53 C ATOM 432 CG TYR A 29 4.449 -6.494 1.465 1.00 31.41 C ATOM 433 CD1 TYR A 29 5.257 -5.365 1.462 1.00 40.43 C ATOM 434 CD2 TYR A 29 4.577 -7.394 0.414 1.00 14.42 C ATOM 435 CE1 TYR A 29 6.164 -5.137 0.446 1.00 72.35 C ATOM 436 CE2 TYR A 29 5.483 -7.175 -0.606 1.00 74.31 C ATOM 437 CZ TYR A 29 6.275 -6.045 -0.586 1.00 23.31 C ATOM 438 OH TYR A 29 7.176 -5.824 -1.600 1.00 13.02 O ATOM 0 H TYR A 29 3.314 -9.149 3.539 1.00 73.01 H new ATOM 0 HA TYR A 29 5.120 -6.856 3.935 1.00 74.03 H new ATOM 0 HB2 TYR A 29 2.721 -7.469 2.245 1.00 61.53 H new ATOM 0 HB3 TYR A 29 2.917 -5.813 2.783 1.00 61.53 H new ATOM 0 HD1 TYR A 29 5.175 -4.652 2.269 1.00 40.43 H new ATOM 0 HD2 TYR A 29 3.958 -8.279 0.394 1.00 14.42 H new ATOM 0 HE1 TYR A 29 6.783 -4.252 0.460 1.00 72.35 H new ATOM 0 HE2 TYR A 29 5.571 -7.885 -1.415 1.00 74.31 H new ATOM 0 HH TYR A 29 7.469 -6.683 -1.970 1.00 13.02 H new ATOM 448 N LYS A 30 3.678 -5.515 5.530 1.00 61.21 N ATOM 449 CA LYS A 30 3.013 -4.898 6.671 1.00 65.25 C ATOM 450 C LYS A 30 2.922 -3.387 6.497 1.00 1.51 C ATOM 451 O LYS A 30 3.574 -2.812 5.624 1.00 2.14 O ATOM 452 CB LYS A 30 3.761 -5.229 7.965 1.00 72.23 C ATOM 453 CG LYS A 30 3.300 -6.519 8.622 1.00 12.21 C ATOM 454 CD LYS A 30 4.428 -7.188 9.390 1.00 2.11 C ATOM 455 CE LYS A 30 5.116 -8.256 8.554 1.00 42.34 C ATOM 456 NZ LYS A 30 4.557 -9.611 8.816 1.00 1.44 N ATOM 0 H LYS A 30 4.425 -4.952 5.123 1.00 61.21 H new ATOM 0 HA LYS A 30 2.002 -5.300 6.730 1.00 65.25 H new ATOM 0 HB2 LYS A 30 4.827 -5.302 7.750 1.00 72.23 H new ATOM 0 HB3 LYS A 30 3.633 -4.407 8.669 1.00 72.23 H new ATOM 0 HG2 LYS A 30 2.473 -6.308 9.299 1.00 12.21 H new ATOM 0 HG3 LYS A 30 2.922 -7.201 7.861 1.00 12.21 H new ATOM 0 HD2 LYS A 30 5.157 -6.437 9.695 1.00 2.11 H new ATOM 0 HD3 LYS A 30 4.033 -7.637 10.301 1.00 2.11 H new ATOM 0 HE2 LYS A 30 5.006 -8.016 7.496 1.00 42.34 H new ATOM 0 HE3 LYS A 30 6.184 -8.255 8.772 1.00 42.34 H new ATOM 0 HZ1 LYS A 30 5.052 -10.311 8.227 1.00 1.44 H new ATOM 0 HZ2 LYS A 30 4.684 -9.851 9.820 1.00 1.44 H new ATOM 0 HZ3 LYS A 30 3.543 -9.619 8.584 1.00 1.44 H new ATOM 470 N LEU A 31 2.112 -2.746 7.334 1.00 12.14 N ATOM 471 CA LEU A 31 1.938 -1.299 7.273 1.00 0.25 C ATOM 472 C LEU A 31 3.281 -0.595 7.104 1.00 24.13 C ATOM 473 O LEU A 31 3.425 0.300 6.273 1.00 4.54 O ATOM 474 CB LEU A 31 1.241 -0.796 8.537 1.00 40.44 C ATOM 475 CG LEU A 31 -0.158 -0.209 8.345 1.00 11.24 C ATOM 476 CD1 LEU A 31 -1.124 -1.279 7.861 1.00 72.25 C ATOM 477 CD2 LEU A 31 -0.657 0.417 9.640 1.00 21.54 C ATOM 0 H LEU A 31 1.566 -3.206 8.062 1.00 12.14 H new ATOM 0 HA LEU A 31 1.317 -1.069 6.407 1.00 0.25 H new ATOM 0 HB2 LEU A 31 1.172 -1.623 9.243 1.00 40.44 H new ATOM 0 HB3 LEU A 31 1.872 -0.036 8.997 1.00 40.44 H new ATOM 0 HG LEU A 31 -0.102 0.571 7.586 1.00 11.24 H new ATOM 0 HD11 LEU A 31 -2.114 -0.843 7.730 1.00 72.25 H new ATOM 0 HD12 LEU A 31 -0.775 -1.680 6.909 1.00 72.25 H new ATOM 0 HD13 LEU A 31 -1.176 -2.082 8.596 1.00 72.25 H new ATOM 0 HD21 LEU A 31 -1.654 0.829 9.484 1.00 21.54 H new ATOM 0 HD22 LEU A 31 -0.697 -0.343 10.420 1.00 21.54 H new ATOM 0 HD23 LEU A 31 0.022 1.214 9.944 1.00 21.54 H new ATOM 489 N LYS A 32 4.263 -1.008 7.898 1.00 33.20 N ATOM 490 CA LYS A 32 5.596 -0.421 7.836 1.00 31.12 C ATOM 491 C LYS A 32 5.983 -0.102 6.395 1.00 20.25 C ATOM 492 O LYS A 32 6.457 0.995 6.097 1.00 74.33 O ATOM 493 CB LYS A 32 6.624 -1.373 8.451 1.00 52.44 C ATOM 494 CG LYS A 32 7.678 -0.670 9.290 1.00 11.22 C ATOM 495 CD LYS A 32 7.710 -1.208 10.711 1.00 41.23 C ATOM 496 CE LYS A 32 9.083 -1.034 11.341 1.00 55.14 C ATOM 497 NZ LYS A 32 9.312 0.365 11.797 1.00 64.15 N ATOM 0 H LYS A 32 4.160 -1.748 8.593 1.00 33.20 H new ATOM 0 HA LYS A 32 5.583 0.508 8.406 1.00 31.12 H new ATOM 0 HB2 LYS A 32 6.105 -2.103 9.072 1.00 52.44 H new ATOM 0 HB3 LYS A 32 7.117 -1.927 7.652 1.00 52.44 H new ATOM 0 HG2 LYS A 32 8.657 -0.799 8.829 1.00 11.22 H new ATOM 0 HG3 LYS A 32 7.474 0.401 9.310 1.00 11.22 H new ATOM 0 HD2 LYS A 32 6.964 -0.691 11.314 1.00 41.23 H new ATOM 0 HD3 LYS A 32 7.441 -2.264 10.708 1.00 41.23 H new ATOM 0 HE2 LYS A 32 9.182 -1.713 12.188 1.00 55.14 H new ATOM 0 HE3 LYS A 32 9.851 -1.311 10.619 1.00 55.14 H new ATOM 0 HZ1 LYS A 32 10.259 0.442 12.220 1.00 64.15 H new ATOM 0 HZ2 LYS A 32 9.243 1.011 10.985 1.00 64.15 H new ATOM 0 HZ3 LYS A 32 8.595 0.621 12.505 1.00 64.15 H new ATOM 511 N HIS A 33 5.777 -1.066 5.504 1.00 60.52 N ATOM 512 CA HIS A 33 6.103 -0.887 4.092 1.00 40.03 C ATOM 513 C HIS A 33 5.205 0.172 3.459 1.00 62.10 C ATOM 514 O HIS A 33 5.736 0.984 2.703 1.00 20.01 O ATOM 515 CB HIS A 33 5.957 -2.211 3.342 1.00 21.44 C ATOM 516 CG HIS A 33 6.730 -3.337 3.957 1.00 30.30 C ATOM 517 ND1 HIS A 33 6.129 -4.425 4.554 1.00 33.51 N ATOM 518 CD2 HIS A 33 8.064 -3.540 4.066 1.00 32.24 C ATOM 519 CE1 HIS A 33 7.060 -5.248 5.003 1.00 4.24 C ATOM 520 NE2 HIS A 33 8.243 -4.734 4.719 1.00 41.20 N ATOM 0 H HIS A 33 5.386 -1.980 5.734 1.00 60.52 H new ATOM 0 HA HIS A 33 7.138 -0.551 4.022 1.00 40.03 H new ATOM 0 HB2 HIS A 33 4.902 -2.483 3.305 1.00 21.44 H new ATOM 0 HB3 HIS A 33 6.288 -2.074 2.312 1.00 21.44 H new ATOM 0 HD2 HIS A 33 8.843 -2.884 3.706 1.00 32.24 H new ATOM 0 HE1 HIS A 33 6.884 -6.182 5.515 1.00 4.24 H new ATOM 0 HE2 HIS A 33 9.143 -5.156 4.948 1.00 41.20 H new ATOM 528 N ILE A 34 3.906 0.184 3.738 1.00 62.20 N ATOM 529 CA ILE A 34 3.010 1.176 3.157 1.00 42.30 C ATOM 530 C ILE A 34 3.447 2.592 3.521 1.00 71.43 C ATOM 531 O ILE A 34 3.748 3.404 2.646 1.00 62.23 O ATOM 532 CB ILE A 34 1.557 0.965 3.624 1.00 71.02 C ATOM 533 CG1 ILE A 34 1.072 -0.433 3.235 1.00 63.50 C ATOM 534 CG2 ILE A 34 0.649 2.030 3.029 1.00 12.41 C ATOM 535 CD1 ILE A 34 -0.299 -0.770 3.777 1.00 40.20 C ATOM 0 H ILE A 34 3.451 -0.482 4.362 1.00 62.20 H new ATOM 0 HA ILE A 34 3.058 1.049 2.075 1.00 42.30 H new ATOM 0 HB ILE A 34 1.524 1.053 4.710 1.00 71.02 H new ATOM 0 HG12 ILE A 34 1.054 -0.513 2.148 1.00 63.50 H new ATOM 0 HG13 ILE A 34 1.788 -1.171 3.597 1.00 63.50 H new ATOM 0 HG21 ILE A 34 -0.374 1.867 3.368 1.00 12.41 H new ATOM 0 HG22 ILE A 34 0.985 3.016 3.350 1.00 12.41 H new ATOM 0 HG23 ILE A 34 0.684 1.972 1.941 1.00 12.41 H new ATOM 0 HD11 ILE A 34 -0.578 -1.775 3.462 1.00 40.20 H new ATOM 0 HD12 ILE A 34 -0.281 -0.723 4.866 1.00 40.20 H new ATOM 0 HD13 ILE A 34 -1.027 -0.055 3.395 1.00 40.20 H new ATOM 547 N VAL A 35 3.484 2.879 4.818 1.00 64.43 N ATOM 548 CA VAL A 35 3.888 4.195 5.298 1.00 43.12 C ATOM 549 C VAL A 35 5.228 4.609 4.703 1.00 51.02 C ATOM 550 O VAL A 35 5.376 5.720 4.192 1.00 22.50 O ATOM 551 CB VAL A 35 3.989 4.224 6.835 1.00 3.44 C ATOM 552 CG1 VAL A 35 4.508 5.574 7.310 1.00 71.52 C ATOM 553 CG2 VAL A 35 2.640 3.913 7.464 1.00 23.24 C ATOM 0 H VAL A 35 3.239 2.218 5.555 1.00 64.43 H new ATOM 0 HA VAL A 35 3.120 4.899 4.978 1.00 43.12 H new ATOM 0 HB VAL A 35 4.696 3.457 7.150 1.00 3.44 H new ATOM 0 HG11 VAL A 35 4.573 5.576 8.398 1.00 71.52 H new ATOM 0 HG12 VAL A 35 5.497 5.753 6.887 1.00 71.52 H new ATOM 0 HG13 VAL A 35 3.827 6.360 6.985 1.00 71.52 H new ATOM 0 HG21 VAL A 35 2.730 3.938 8.550 1.00 23.24 H new ATOM 0 HG22 VAL A 35 1.909 4.656 7.144 1.00 23.24 H new ATOM 0 HG23 VAL A 35 2.312 2.922 7.150 1.00 23.24 H new ATOM 563 N TRP A 36 6.203 3.709 4.773 1.00 53.23 N ATOM 564 CA TRP A 36 7.533 3.982 4.240 1.00 61.31 C ATOM 565 C TRP A 36 7.460 4.384 2.771 1.00 61.10 C ATOM 566 O TRP A 36 8.340 5.079 2.264 1.00 43.23 O ATOM 567 CB TRP A 36 8.430 2.753 4.400 1.00 60.03 C ATOM 568 CG TRP A 36 9.768 2.904 3.741 1.00 2.32 C ATOM 569 CD1 TRP A 36 10.952 3.208 4.350 1.00 3.25 C ATOM 570 CD2 TRP A 36 10.057 2.759 2.346 1.00 62.33 C ATOM 571 NE1 TRP A 36 11.960 3.262 3.416 1.00 61.21 N ATOM 572 CE2 TRP A 36 11.436 2.989 2.181 1.00 33.51 C ATOM 573 CE3 TRP A 36 9.285 2.456 1.221 1.00 42.03 C ATOM 574 CZ2 TRP A 36 12.057 2.925 0.936 1.00 51.40 C ATOM 575 CZ3 TRP A 36 9.902 2.393 -0.013 1.00 41.02 C ATOM 576 CH2 TRP A 36 11.277 2.626 -0.148 1.00 23.33 C ATOM 0 H TRP A 36 6.098 2.785 5.193 1.00 53.23 H new ATOM 0 HA TRP A 36 7.959 4.812 4.803 1.00 61.31 H new ATOM 0 HB2 TRP A 36 8.576 2.555 5.462 1.00 60.03 H new ATOM 0 HB3 TRP A 36 7.922 1.884 3.980 1.00 60.03 H new ATOM 0 HD1 TRP A 36 11.078 3.381 5.409 1.00 3.25 H new ATOM 0 HE1 TRP A 36 12.939 3.471 3.612 1.00 61.21 H new ATOM 0 HE3 TRP A 36 8.225 2.274 1.315 1.00 42.03 H new ATOM 0 HZ2 TRP A 36 13.117 3.105 0.830 1.00 51.40 H new ATOM 0 HZ3 TRP A 36 9.315 2.160 -0.889 1.00 41.02 H new ATOM 0 HH2 TRP A 36 11.730 2.569 -1.127 1.00 23.33 H new ATOM 587 N ALA A 37 6.405 3.943 2.094 1.00 1.23 N ATOM 588 CA ALA A 37 6.215 4.260 0.683 1.00 75.24 C ATOM 589 C ALA A 37 5.478 5.584 0.513 1.00 13.24 C ATOM 590 O ALA A 37 5.928 6.467 -0.219 1.00 33.42 O ATOM 591 CB ALA A 37 5.460 3.139 -0.013 1.00 60.41 C ATOM 0 H ALA A 37 5.669 3.365 2.499 1.00 1.23 H new ATOM 0 HA ALA A 37 7.198 4.360 0.223 1.00 75.24 H new ATOM 0 HB1 ALA A 37 5.326 3.389 -1.065 1.00 60.41 H new ATOM 0 HB2 ALA A 37 6.027 2.212 0.070 1.00 60.41 H new ATOM 0 HB3 ALA A 37 4.485 3.011 0.457 1.00 60.41 H new ATOM 597 N SER A 38 4.342 5.715 1.190 1.00 34.12 N ATOM 598 CA SER A 38 3.540 6.930 1.109 1.00 71.34 C ATOM 599 C SER A 38 4.376 8.158 1.456 1.00 12.11 C ATOM 600 O SER A 38 4.099 9.263 0.990 1.00 54.34 O ATOM 601 CB SER A 38 2.337 6.835 2.050 1.00 12.14 C ATOM 602 OG SER A 38 1.726 8.102 2.226 1.00 73.21 O ATOM 0 H SER A 38 3.956 4.995 1.801 1.00 34.12 H new ATOM 0 HA SER A 38 3.184 7.033 0.084 1.00 71.34 H new ATOM 0 HB2 SER A 38 1.610 6.130 1.646 1.00 12.14 H new ATOM 0 HB3 SER A 38 2.657 6.445 3.016 1.00 12.14 H new ATOM 0 HG SER A 38 0.959 8.014 2.830 1.00 73.21 H new ATOM 608 N ARG A 39 5.401 7.955 2.278 1.00 63.31 N ATOM 609 CA ARG A 39 6.277 9.045 2.690 1.00 32.32 C ATOM 610 C ARG A 39 7.417 9.232 1.692 1.00 40.00 C ATOM 611 O ARG A 39 8.056 10.283 1.656 1.00 52.23 O ATOM 612 CB ARG A 39 6.845 8.771 4.083 1.00 55.31 C ATOM 613 CG ARG A 39 6.210 9.615 5.176 1.00 15.52 C ATOM 614 CD ARG A 39 6.150 8.865 6.496 1.00 65.44 C ATOM 615 NE ARG A 39 5.033 9.307 7.328 1.00 71.12 N ATOM 616 CZ ARG A 39 5.043 10.434 8.031 1.00 65.02 C ATOM 617 NH1 ARG A 39 6.103 11.228 8.003 1.00 15.51 N ATOM 618 NH2 ARG A 39 3.988 10.769 8.763 1.00 22.32 N ATOM 0 H ARG A 39 5.645 7.046 2.671 1.00 63.31 H new ATOM 0 HA ARG A 39 5.688 9.961 2.719 1.00 32.32 H new ATOM 0 HB2 ARG A 39 6.705 7.717 4.322 1.00 55.31 H new ATOM 0 HB3 ARG A 39 7.919 8.955 4.071 1.00 55.31 H new ATOM 0 HG2 ARG A 39 6.781 10.535 5.305 1.00 15.52 H new ATOM 0 HG3 ARG A 39 5.203 9.904 4.875 1.00 15.52 H new ATOM 0 HD2 ARG A 39 6.056 7.797 6.302 1.00 65.44 H new ATOM 0 HD3 ARG A 39 7.085 9.010 7.038 1.00 65.44 H new ATOM 0 HE ARG A 39 4.201 8.719 7.371 1.00 71.12 H new ATOM 0 HH11 ARG A 39 6.915 10.975 7.440 1.00 15.51 H new ATOM 0 HH12 ARG A 39 6.107 12.093 8.544 1.00 15.51 H new ATOM 0 HH21 ARG A 39 3.169 10.161 8.786 1.00 22.32 H new ATOM 0 HH22 ARG A 39 3.996 11.634 9.303 1.00 22.32 H new ATOM 632 N GLU A 40 7.665 8.206 0.885 1.00 24.04 N ATOM 633 CA GLU A 40 8.727 8.258 -0.113 1.00 72.44 C ATOM 634 C GLU A 40 8.235 8.914 -1.399 1.00 65.11 C ATOM 635 O GLU A 40 8.926 9.745 -1.991 1.00 64.44 O ATOM 636 CB GLU A 40 9.247 6.850 -0.411 1.00 4.21 C ATOM 637 CG GLU A 40 10.760 6.731 -0.340 1.00 1.23 C ATOM 638 CD GLU A 40 11.296 6.939 1.062 1.00 53.22 C ATOM 639 OE1 GLU A 40 11.431 8.110 1.478 1.00 52.22 O ATOM 640 OE2 GLU A 40 11.582 5.934 1.744 1.00 72.43 O ATOM 0 H GLU A 40 7.145 7.329 0.902 1.00 24.04 H new ATOM 0 HA GLU A 40 9.541 8.860 0.292 1.00 72.44 H new ATOM 0 HB2 GLU A 40 8.803 6.151 0.297 1.00 4.21 H new ATOM 0 HB3 GLU A 40 8.914 6.552 -1.405 1.00 4.21 H new ATOM 0 HG2 GLU A 40 11.060 5.746 -0.697 1.00 1.23 H new ATOM 0 HG3 GLU A 40 11.210 7.464 -1.010 1.00 1.23 H new ATOM 647 N LEU A 41 7.036 8.534 -1.828 1.00 10.20 N ATOM 648 CA LEU A 41 6.450 9.084 -3.046 1.00 41.23 C ATOM 649 C LEU A 41 6.507 10.608 -3.038 1.00 53.25 C ATOM 650 O LEU A 41 6.939 11.227 -4.010 1.00 41.24 O ATOM 651 CB LEU A 41 5.000 8.618 -3.192 1.00 22.14 C ATOM 652 CG LEU A 41 4.800 7.133 -3.497 1.00 74.40 C ATOM 653 CD1 LEU A 41 3.323 6.774 -3.457 1.00 45.25 C ATOM 654 CD2 LEU A 41 5.400 6.780 -4.850 1.00 44.30 C ATOM 0 H LEU A 41 6.451 7.848 -1.351 1.00 10.20 H new ATOM 0 HA LEU A 41 7.030 8.722 -3.895 1.00 41.23 H new ATOM 0 HB2 LEU A 41 4.469 8.854 -2.270 1.00 22.14 H new ATOM 0 HB3 LEU A 41 4.531 9.198 -3.987 1.00 22.14 H new ATOM 0 HG LEU A 41 5.315 6.553 -2.731 1.00 74.40 H new ATOM 0 HD11 LEU A 41 3.200 5.713 -3.676 1.00 45.25 H new ATOM 0 HD12 LEU A 41 2.923 6.988 -2.466 1.00 45.25 H new ATOM 0 HD13 LEU A 41 2.785 7.363 -4.200 1.00 45.25 H new ATOM 0 HD21 LEU A 41 5.248 5.719 -5.050 1.00 44.30 H new ATOM 0 HD22 LEU A 41 4.915 7.369 -5.628 1.00 44.30 H new ATOM 0 HD23 LEU A 41 6.468 6.998 -4.843 1.00 44.30 H new ATOM 666 N GLU A 42 6.071 11.206 -1.933 1.00 15.02 N ATOM 667 CA GLU A 42 6.075 12.658 -1.798 1.00 23.45 C ATOM 668 C GLU A 42 7.439 13.234 -2.164 1.00 14.44 C ATOM 669 O GLU A 42 7.539 14.358 -2.657 1.00 43.03 O ATOM 670 CB GLU A 42 5.704 13.061 -0.369 1.00 14.04 C ATOM 671 CG GLU A 42 4.558 14.056 -0.295 1.00 60.31 C ATOM 672 CD GLU A 42 3.776 13.948 1.000 1.00 15.23 C ATOM 673 OE1 GLU A 42 4.224 13.214 1.904 1.00 73.41 O ATOM 674 OE2 GLU A 42 2.716 14.600 1.108 1.00 14.02 O ATOM 0 H GLU A 42 5.711 10.708 -1.119 1.00 15.02 H new ATOM 0 HA GLU A 42 5.333 13.064 -2.485 1.00 23.45 H new ATOM 0 HB2 GLU A 42 5.435 12.167 0.193 1.00 14.04 H new ATOM 0 HB3 GLU A 42 6.580 13.491 0.117 1.00 14.04 H new ATOM 0 HG2 GLU A 42 4.953 15.067 -0.394 1.00 60.31 H new ATOM 0 HG3 GLU A 42 3.885 13.893 -1.137 1.00 60.31 H new ATOM 681 N ARG A 43 8.489 12.457 -1.919 1.00 23.32 N ATOM 682 CA ARG A 43 9.848 12.891 -2.220 1.00 64.32 C ATOM 683 C ARG A 43 10.131 12.792 -3.716 1.00 64.21 C ATOM 684 O ARG A 43 10.869 13.605 -4.274 1.00 62.13 O ATOM 685 CB ARG A 43 10.860 12.045 -1.443 1.00 43.45 C ATOM 686 CG ARG A 43 11.691 12.848 -0.455 1.00 30.55 C ATOM 687 CD ARG A 43 12.927 13.437 -1.118 1.00 71.34 C ATOM 688 NE ARG A 43 13.926 13.855 -0.138 1.00 1.33 N ATOM 689 CZ ARG A 43 13.797 14.930 0.631 1.00 3.50 C ATOM 690 NH1 ARG A 43 12.716 15.692 0.535 1.00 42.01 N ATOM 691 NH2 ARG A 43 14.750 15.246 1.499 1.00 23.42 N ATOM 0 H ARG A 43 8.425 11.524 -1.513 1.00 23.32 H new ATOM 0 HA ARG A 43 9.945 13.933 -1.916 1.00 64.32 H new ATOM 0 HB2 ARG A 43 10.328 11.260 -0.905 1.00 43.45 H new ATOM 0 HB3 ARG A 43 11.527 11.551 -2.150 1.00 43.45 H new ATOM 0 HG2 ARG A 43 11.084 13.650 -0.035 1.00 30.55 H new ATOM 0 HG3 ARG A 43 11.991 12.208 0.375 1.00 30.55 H new ATOM 0 HD2 ARG A 43 13.365 12.699 -1.790 1.00 71.34 H new ATOM 0 HD3 ARG A 43 12.638 14.292 -1.729 1.00 71.34 H new ATOM 0 HE ARG A 43 14.769 13.290 -0.039 1.00 1.33 H new ATOM 0 HH11 ARG A 43 11.981 15.453 -0.131 1.00 42.01 H new ATOM 0 HH12 ARG A 43 12.619 16.517 1.127 1.00 42.01 H new ATOM 0 HH21 ARG A 43 15.583 14.663 1.576 1.00 23.42 H new ATOM 0 HH22 ARG A 43 14.649 16.072 2.089 1.00 23.42 H new ATOM 705 N PHE A 44 9.539 11.792 -4.361 1.00 61.51 N ATOM 706 CA PHE A 44 9.728 11.586 -5.792 1.00 51.43 C ATOM 707 C PHE A 44 8.705 12.382 -6.596 1.00 43.21 C ATOM 708 O PHE A 44 8.331 11.994 -7.702 1.00 31.04 O ATOM 709 CB PHE A 44 9.618 10.099 -6.135 1.00 52.54 C ATOM 710 CG PHE A 44 10.853 9.313 -5.797 1.00 40.12 C ATOM 711 CD1 PHE A 44 12.065 9.612 -6.395 1.00 13.32 C ATOM 712 CD2 PHE A 44 10.801 8.275 -4.880 1.00 5.20 C ATOM 713 CE1 PHE A 44 13.203 8.890 -6.087 1.00 65.51 C ATOM 714 CE2 PHE A 44 11.934 7.550 -4.567 1.00 32.44 C ATOM 715 CZ PHE A 44 13.138 7.858 -5.171 1.00 44.41 C ATOM 0 H PHE A 44 8.924 11.111 -3.915 1.00 61.51 H new ATOM 0 HA PHE A 44 10.725 11.939 -6.055 1.00 51.43 H new ATOM 0 HB2 PHE A 44 8.768 9.673 -5.601 1.00 52.54 H new ATOM 0 HB3 PHE A 44 9.410 9.994 -7.200 1.00 52.54 H new ATOM 0 HD1 PHE A 44 12.122 10.419 -7.111 1.00 13.32 H new ATOM 0 HD2 PHE A 44 9.863 8.030 -4.404 1.00 5.20 H new ATOM 0 HE1 PHE A 44 14.142 9.133 -6.562 1.00 65.51 H new ATOM 0 HE2 PHE A 44 11.879 6.743 -3.851 1.00 32.44 H new ATOM 0 HZ PHE A 44 14.026 7.293 -4.928 1.00 44.41 H new ATOM 725 N ALA A 45 8.254 13.497 -6.030 1.00 40.12 N ATOM 726 CA ALA A 45 7.275 14.349 -6.694 1.00 65.32 C ATOM 727 C ALA A 45 6.002 13.574 -7.014 1.00 43.23 C ATOM 728 O ALA A 45 5.216 13.977 -7.873 1.00 35.31 O ATOM 729 CB ALA A 45 7.867 14.944 -7.963 1.00 43.13 C ATOM 0 H ALA A 45 8.551 13.831 -5.113 1.00 40.12 H new ATOM 0 HA ALA A 45 7.014 15.160 -6.014 1.00 65.32 H new ATOM 0 HB1 ALA A 45 7.125 15.578 -8.448 1.00 43.13 H new ATOM 0 HB2 ALA A 45 8.744 15.540 -7.711 1.00 43.13 H new ATOM 0 HB3 ALA A 45 8.157 14.141 -8.641 1.00 43.13 H new ATOM 735 N VAL A 46 5.801 12.459 -6.319 1.00 51.55 N ATOM 736 CA VAL A 46 4.622 11.627 -6.529 1.00 12.53 C ATOM 737 C VAL A 46 3.646 11.753 -5.364 1.00 55.21 C ATOM 738 O VAL A 46 3.962 11.381 -4.235 1.00 24.20 O ATOM 739 CB VAL A 46 5.005 10.146 -6.707 1.00 72.43 C ATOM 740 CG1 VAL A 46 3.762 9.269 -6.696 1.00 11.00 C ATOM 741 CG2 VAL A 46 5.795 9.951 -7.992 1.00 21.50 C ATOM 0 H VAL A 46 6.440 12.111 -5.605 1.00 51.55 H new ATOM 0 HA VAL A 46 4.142 11.982 -7.441 1.00 12.53 H new ATOM 0 HB VAL A 46 5.638 9.848 -5.871 1.00 72.43 H new ATOM 0 HG11 VAL A 46 4.052 8.226 -6.823 1.00 11.00 H new ATOM 0 HG12 VAL A 46 3.241 9.388 -5.746 1.00 11.00 H new ATOM 0 HG13 VAL A 46 3.101 9.564 -7.511 1.00 11.00 H new ATOM 0 HG21 VAL A 46 6.057 8.899 -8.102 1.00 21.50 H new ATOM 0 HG22 VAL A 46 5.190 10.265 -8.842 1.00 21.50 H new ATOM 0 HG23 VAL A 46 6.705 10.550 -7.954 1.00 21.50 H new ATOM 751 N ASN A 47 2.459 12.278 -5.648 1.00 12.41 N ATOM 752 CA ASN A 47 1.436 12.453 -4.624 1.00 51.11 C ATOM 753 C ASN A 47 1.068 11.115 -3.990 1.00 3.12 C ATOM 754 O ASN A 47 0.827 10.121 -4.675 1.00 40.23 O ATOM 755 CB ASN A 47 0.190 13.106 -5.224 1.00 12.42 C ATOM 756 CG ASN A 47 0.503 14.416 -5.922 1.00 55.01 C ATOM 757 OD1 ASN A 47 0.497 15.480 -5.303 1.00 64.04 O ATOM 758 ND2 ASN A 47 0.780 14.344 -7.219 1.00 42.44 N ATOM 0 H ASN A 47 2.182 12.590 -6.579 1.00 12.41 H new ATOM 0 HA ASN A 47 1.840 13.104 -3.849 1.00 51.11 H new ATOM 0 HB2 ASN A 47 -0.270 12.420 -5.935 1.00 12.42 H new ATOM 0 HB3 ASN A 47 -0.540 13.284 -4.434 1.00 12.42 H new ATOM 0 HD21 ASN A 47 0.999 15.192 -7.742 1.00 42.44 H new ATOM 0 HD22 ASN A 47 0.774 13.441 -7.692 1.00 42.44 H new ATOM 765 N PRO A 48 1.020 11.089 -2.650 1.00 24.51 N ATOM 766 CA PRO A 48 0.680 9.880 -1.893 1.00 25.13 C ATOM 767 C PRO A 48 -0.787 9.491 -2.051 1.00 61.11 C ATOM 768 O PRO A 48 -1.226 8.466 -1.532 1.00 44.32 O ATOM 769 CB PRO A 48 0.975 10.273 -0.444 1.00 34.23 C ATOM 770 CG PRO A 48 0.841 11.757 -0.419 1.00 65.30 C ATOM 771 CD PRO A 48 1.294 12.237 -1.769 1.00 40.20 C ATOM 0 HA PRO A 48 1.243 9.012 -2.237 1.00 25.13 H new ATOM 0 HB2 PRO A 48 0.275 9.801 0.245 1.00 34.23 H new ATOM 0 HB3 PRO A 48 1.976 9.961 -0.145 1.00 34.23 H new ATOM 0 HG2 PRO A 48 -0.190 12.052 -0.226 1.00 65.30 H new ATOM 0 HG3 PRO A 48 1.451 12.190 0.374 1.00 65.30 H new ATOM 0 HD2 PRO A 48 0.746 13.125 -2.084 1.00 40.20 H new ATOM 0 HD3 PRO A 48 2.352 12.499 -1.768 1.00 40.20 H new ATOM 779 N GLY A 49 -1.540 10.318 -2.772 1.00 72.43 N ATOM 780 CA GLY A 49 -2.948 10.042 -2.984 1.00 32.20 C ATOM 781 C GLY A 49 -3.189 9.137 -4.176 1.00 74.11 C ATOM 782 O GLY A 49 -4.334 8.870 -4.542 1.00 13.04 O ATOM 0 H GLY A 49 -1.199 11.173 -3.212 1.00 72.43 H new ATOM 0 HA2 GLY A 49 -3.363 9.577 -2.089 1.00 32.20 H new ATOM 0 HA3 GLY A 49 -3.481 10.981 -3.131 1.00 32.20 H new ATOM 786 N LEU A 50 -2.107 8.663 -4.785 1.00 71.12 N ATOM 787 CA LEU A 50 -2.204 7.783 -5.944 1.00 44.50 C ATOM 788 C LEU A 50 -2.361 6.328 -5.512 1.00 41.22 C ATOM 789 O LEU A 50 -2.818 5.486 -6.285 1.00 21.32 O ATOM 790 CB LEU A 50 -0.966 7.933 -6.829 1.00 11.40 C ATOM 791 CG LEU A 50 -0.797 9.285 -7.523 1.00 31.14 C ATOM 792 CD1 LEU A 50 0.631 9.457 -8.017 1.00 5.41 C ATOM 793 CD2 LEU A 50 -1.782 9.419 -8.676 1.00 45.51 C ATOM 0 H LEU A 50 -1.152 8.874 -4.495 1.00 71.12 H new ATOM 0 HA LEU A 50 -3.087 8.071 -6.514 1.00 44.50 H new ATOM 0 HB2 LEU A 50 -0.083 7.748 -6.218 1.00 11.40 H new ATOM 0 HB3 LEU A 50 -0.994 7.156 -7.593 1.00 11.40 H new ATOM 0 HG LEU A 50 -1.006 10.072 -6.799 1.00 31.14 H new ATOM 0 HD11 LEU A 50 0.732 10.425 -8.508 1.00 5.41 H new ATOM 0 HD12 LEU A 50 1.317 9.406 -7.172 1.00 5.41 H new ATOM 0 HD13 LEU A 50 0.869 8.664 -8.726 1.00 5.41 H new ATOM 0 HD21 LEU A 50 -1.648 10.387 -9.159 1.00 45.51 H new ATOM 0 HD22 LEU A 50 -1.604 8.624 -9.401 1.00 45.51 H new ATOM 0 HD23 LEU A 50 -2.800 9.341 -8.295 1.00 45.51 H new ATOM 805 N LEU A 51 -1.981 6.041 -4.271 1.00 4.50 N ATOM 806 CA LEU A 51 -2.082 4.688 -3.735 1.00 50.35 C ATOM 807 C LEU A 51 -3.536 4.319 -3.457 1.00 1.15 C ATOM 808 O LEU A 51 -3.843 3.173 -3.132 1.00 23.55 O ATOM 809 CB LEU A 51 -1.260 4.566 -2.451 1.00 52.14 C ATOM 810 CG LEU A 51 0.223 4.923 -2.567 1.00 70.23 C ATOM 811 CD1 LEU A 51 0.885 4.907 -1.198 1.00 45.35 C ATOM 812 CD2 LEU A 51 0.930 3.965 -3.514 1.00 60.03 C ATOM 0 H LEU A 51 -1.601 6.726 -3.618 1.00 4.50 H new ATOM 0 HA LEU A 51 -1.687 3.998 -4.481 1.00 50.35 H new ATOM 0 HB2 LEU A 51 -1.709 5.208 -1.693 1.00 52.14 H new ATOM 0 HB3 LEU A 51 -1.339 3.541 -2.089 1.00 52.14 H new ATOM 0 HG LEU A 51 0.303 5.931 -2.975 1.00 70.23 H new ATOM 0 HD11 LEU A 51 1.939 5.163 -1.301 1.00 45.35 H new ATOM 0 HD12 LEU A 51 0.396 5.634 -0.549 1.00 45.35 H new ATOM 0 HD13 LEU A 51 0.794 3.912 -0.762 1.00 45.35 H new ATOM 0 HD21 LEU A 51 1.984 4.234 -3.584 1.00 60.03 H new ATOM 0 HD22 LEU A 51 0.840 2.947 -3.136 1.00 60.03 H new ATOM 0 HD23 LEU A 51 0.473 4.027 -4.502 1.00 60.03 H new ATOM 824 N GLU A 52 -4.426 5.298 -3.591 1.00 21.24 N ATOM 825 CA GLU A 52 -5.847 5.074 -3.357 1.00 44.42 C ATOM 826 C GLU A 52 -6.595 4.895 -4.675 1.00 3.23 C ATOM 827 O GLU A 52 -7.673 5.458 -4.873 1.00 54.13 O ATOM 828 CB GLU A 52 -6.448 6.243 -2.572 1.00 74.41 C ATOM 829 CG GLU A 52 -6.519 7.535 -3.365 1.00 12.43 C ATOM 830 CD GLU A 52 -7.912 8.134 -3.382 1.00 1.32 C ATOM 831 OE1 GLU A 52 -8.885 7.370 -3.549 1.00 21.43 O ATOM 832 OE2 GLU A 52 -8.029 9.368 -3.228 1.00 44.15 O ATOM 0 H GLU A 52 -4.188 6.253 -3.860 1.00 21.24 H new ATOM 0 HA GLU A 52 -5.952 4.160 -2.773 1.00 44.42 H new ATOM 0 HB2 GLU A 52 -7.452 5.972 -2.244 1.00 74.41 H new ATOM 0 HB3 GLU A 52 -5.854 6.410 -1.674 1.00 74.41 H new ATOM 0 HG2 GLU A 52 -5.822 8.257 -2.939 1.00 12.43 H new ATOM 0 HG3 GLU A 52 -6.196 7.347 -4.389 1.00 12.43 H new ATOM 839 N THR A 53 -6.015 4.108 -5.576 1.00 52.15 N ATOM 840 CA THR A 53 -6.623 3.855 -6.876 1.00 51.22 C ATOM 841 C THR A 53 -5.781 2.888 -7.699 1.00 71.50 C ATOM 842 O THR A 53 -4.620 3.164 -8.003 1.00 64.21 O ATOM 843 CB THR A 53 -6.810 5.161 -7.671 1.00 12.14 C ATOM 844 OG1 THR A 53 -6.769 4.888 -9.076 1.00 4.54 O ATOM 845 CG2 THR A 53 -5.730 6.171 -7.314 1.00 31.12 C ATOM 0 H THR A 53 -5.124 3.634 -5.429 1.00 52.15 H new ATOM 0 HA THR A 53 -7.600 3.410 -6.687 1.00 51.22 H new ATOM 0 HB THR A 53 -7.780 5.584 -7.411 1.00 12.14 H new ATOM 0 HG1 THR A 53 -6.890 5.723 -9.575 1.00 4.54 H new ATOM 0 HG21 THR A 53 -5.883 7.085 -7.888 1.00 31.12 H new ATOM 0 HG22 THR A 53 -5.782 6.398 -6.249 1.00 31.12 H new ATOM 0 HG23 THR A 53 -4.750 5.755 -7.549 1.00 31.12 H new ATOM 853 N SER A 54 -6.372 1.753 -8.058 1.00 61.15 N ATOM 854 CA SER A 54 -5.674 0.742 -8.843 1.00 4.43 C ATOM 855 C SER A 54 -5.035 1.364 -10.082 1.00 63.21 C ATOM 856 O SER A 54 -3.955 0.955 -10.506 1.00 53.21 O ATOM 857 CB SER A 54 -6.640 -0.369 -9.257 1.00 21.01 C ATOM 858 OG SER A 54 -7.886 -0.236 -8.594 1.00 72.13 O ATOM 0 H SER A 54 -7.333 1.510 -7.818 1.00 61.15 H new ATOM 0 HA SER A 54 -4.886 0.315 -8.223 1.00 4.43 H new ATOM 0 HB2 SER A 54 -6.794 -0.338 -10.336 1.00 21.01 H new ATOM 0 HB3 SER A 54 -6.203 -1.340 -9.025 1.00 21.01 H new ATOM 0 HG SER A 54 -8.486 -0.957 -8.877 1.00 72.13 H new ATOM 864 N GLU A 55 -5.712 2.353 -10.656 1.00 21.41 N ATOM 865 CA GLU A 55 -5.211 3.030 -11.847 1.00 53.15 C ATOM 866 C GLU A 55 -4.085 3.996 -11.490 1.00 71.11 C ATOM 867 O GLU A 55 -3.219 4.288 -12.313 1.00 12.32 O ATOM 868 CB GLU A 55 -6.344 3.785 -12.545 1.00 14.23 C ATOM 869 CG GLU A 55 -6.975 3.011 -13.691 1.00 12.31 C ATOM 870 CD GLU A 55 -8.485 3.149 -13.726 1.00 54.45 C ATOM 871 OE1 GLU A 55 -8.972 4.226 -14.133 1.00 51.13 O ATOM 872 OE2 GLU A 55 -9.178 2.183 -13.347 1.00 44.51 O ATOM 0 H GLU A 55 -6.608 2.703 -10.316 1.00 21.41 H new ATOM 0 HA GLU A 55 -4.816 2.274 -12.525 1.00 53.15 H new ATOM 0 HB2 GLU A 55 -7.114 4.026 -11.812 1.00 14.23 H new ATOM 0 HB3 GLU A 55 -5.959 4.731 -12.925 1.00 14.23 H new ATOM 0 HG2 GLU A 55 -6.560 3.364 -14.635 1.00 12.31 H new ATOM 0 HG3 GLU A 55 -6.712 1.957 -13.601 1.00 12.31 H new ATOM 879 N GLY A 56 -4.104 4.488 -10.255 1.00 40.54 N ATOM 880 CA GLY A 56 -3.081 5.417 -9.810 1.00 23.43 C ATOM 881 C GLY A 56 -1.685 4.832 -9.909 1.00 3.30 C ATOM 882 O GLY A 56 -0.771 5.476 -10.426 1.00 70.43 O ATOM 0 H GLY A 56 -4.810 4.260 -9.555 1.00 40.54 H new ATOM 0 HA2 GLY A 56 -3.134 6.326 -10.409 1.00 23.43 H new ATOM 0 HA3 GLY A 56 -3.279 5.704 -8.777 1.00 23.43 H new ATOM 886 N CYS A 57 -1.521 3.612 -9.412 1.00 30.41 N ATOM 887 CA CYS A 57 -0.226 2.941 -9.444 1.00 30.11 C ATOM 888 C CYS A 57 0.317 2.875 -10.869 1.00 65.32 C ATOM 889 O CYS A 57 1.450 3.276 -11.131 1.00 33.11 O ATOM 890 CB CYS A 57 -0.343 1.531 -8.864 1.00 3.05 C ATOM 891 SG CYS A 57 -0.718 1.490 -7.096 1.00 61.21 S ATOM 0 H CYS A 57 -2.268 3.067 -8.982 1.00 30.41 H new ATOM 0 HA CYS A 57 0.470 3.519 -8.835 1.00 30.11 H new ATOM 0 HB2 CYS A 57 -1.122 0.992 -9.403 1.00 3.05 H new ATOM 0 HB3 CYS A 57 0.592 0.999 -9.039 1.00 3.05 H new ATOM 0 HG CYS A 57 -0.799 0.255 -6.698 1.00 61.21 H new ATOM 897 N ARG A 58 -0.500 2.363 -11.783 1.00 24.25 N ATOM 898 CA ARG A 58 -0.101 2.240 -13.181 1.00 43.52 C ATOM 899 C ARG A 58 0.610 3.504 -13.656 1.00 3.30 C ATOM 900 O ARG A 58 1.547 3.438 -14.449 1.00 31.11 O ATOM 901 CB ARG A 58 -1.323 1.969 -14.060 1.00 3.02 C ATOM 902 CG ARG A 58 -1.282 0.621 -14.761 1.00 51.13 C ATOM 903 CD ARG A 58 -1.379 0.775 -16.271 1.00 70.45 C ATOM 904 NE ARG A 58 -0.312 1.616 -16.805 1.00 12.55 N ATOM 905 CZ ARG A 58 -0.324 2.129 -18.031 1.00 40.34 C ATOM 906 NH1 ARG A 58 -1.343 1.886 -18.844 1.00 52.51 N ATOM 907 NH2 ARG A 58 0.684 2.886 -18.444 1.00 15.23 N ATOM 0 H ARG A 58 -1.442 2.027 -11.582 1.00 24.25 H new ATOM 0 HA ARG A 58 0.591 1.402 -13.263 1.00 43.52 H new ATOM 0 HB2 ARG A 58 -2.221 2.022 -13.445 1.00 3.02 H new ATOM 0 HB3 ARG A 58 -1.403 2.756 -14.809 1.00 3.02 H new ATOM 0 HG2 ARG A 58 -0.357 0.105 -14.506 1.00 51.13 H new ATOM 0 HG3 ARG A 58 -2.103 -0.001 -14.404 1.00 51.13 H new ATOM 0 HD2 ARG A 58 -1.334 -0.208 -16.739 1.00 70.45 H new ATOM 0 HD3 ARG A 58 -2.345 1.208 -16.530 1.00 70.45 H new ATOM 0 HE ARG A 58 0.486 1.821 -16.204 1.00 12.55 H new ATOM 0 HH11 ARG A 58 -2.119 1.304 -18.529 1.00 52.51 H new ATOM 0 HH12 ARG A 58 -1.350 2.281 -19.785 1.00 52.51 H new ATOM 0 HH21 ARG A 58 1.469 3.075 -17.821 1.00 15.23 H new ATOM 0 HH22 ARG A 58 0.674 3.279 -19.385 1.00 15.23 H new ATOM 921 N GLN A 59 0.155 4.653 -13.165 1.00 51.15 N ATOM 922 CA GLN A 59 0.747 5.931 -13.540 1.00 11.24 C ATOM 923 C GLN A 59 2.058 6.163 -12.797 1.00 73.21 C ATOM 924 O GLN A 59 3.044 6.611 -13.382 1.00 1.45 O ATOM 925 CB GLN A 59 -0.227 7.074 -13.249 1.00 43.21 C ATOM 926 CG GLN A 59 -0.330 8.088 -14.377 1.00 32.30 C ATOM 927 CD GLN A 59 -1.645 8.843 -14.364 1.00 32.55 C ATOM 928 OE1 GLN A 59 -2.699 8.282 -14.665 1.00 52.15 O ATOM 929 NE2 GLN A 59 -1.589 10.123 -14.017 1.00 3.50 N ATOM 0 H GLN A 59 -0.621 4.724 -12.507 1.00 51.15 H new ATOM 0 HA GLN A 59 0.956 5.905 -14.609 1.00 11.24 H new ATOM 0 HB2 GLN A 59 -1.215 6.657 -13.055 1.00 43.21 H new ATOM 0 HB3 GLN A 59 0.088 7.586 -12.339 1.00 43.21 H new ATOM 0 HG2 GLN A 59 0.493 8.798 -14.299 1.00 32.30 H new ATOM 0 HG3 GLN A 59 -0.219 7.576 -15.333 1.00 32.30 H new ATOM 0 HE21 GLN A 59 -0.693 10.547 -13.775 1.00 3.50 H new ATOM 0 HE22 GLN A 59 -2.442 10.682 -13.992 1.00 3.50 H new ATOM 938 N ILE A 60 2.062 5.856 -11.504 1.00 60.25 N ATOM 939 CA ILE A 60 3.253 6.031 -10.681 1.00 23.40 C ATOM 940 C ILE A 60 4.425 5.226 -11.233 1.00 51.35 C ATOM 941 O ILE A 60 5.475 5.783 -11.557 1.00 23.54 O ATOM 942 CB ILE A 60 2.996 5.608 -9.223 1.00 60.45 C ATOM 943 CG1 ILE A 60 1.783 6.352 -8.659 1.00 51.13 C ATOM 944 CG2 ILE A 60 4.228 5.870 -8.371 1.00 61.44 C ATOM 945 CD1 ILE A 60 1.123 5.640 -7.498 1.00 14.21 C ATOM 0 H ILE A 60 1.254 5.485 -11.004 1.00 60.25 H new ATOM 0 HA ILE A 60 3.501 7.092 -10.705 1.00 23.40 H new ATOM 0 HB ILE A 60 2.784 4.539 -9.202 1.00 60.45 H new ATOM 0 HG12 ILE A 60 2.094 7.345 -8.336 1.00 51.13 H new ATOM 0 HG13 ILE A 60 1.050 6.490 -9.454 1.00 51.13 H new ATOM 0 HG21 ILE A 60 4.031 5.566 -7.343 1.00 61.44 H new ATOM 0 HG22 ILE A 60 5.070 5.299 -8.763 1.00 61.44 H new ATOM 0 HG23 ILE A 60 4.468 6.933 -8.395 1.00 61.44 H new ATOM 0 HD11 ILE A 60 0.271 6.224 -7.149 1.00 14.21 H new ATOM 0 HD12 ILE A 60 0.781 4.657 -7.821 1.00 14.21 H new ATOM 0 HD13 ILE A 60 1.841 5.525 -6.686 1.00 14.21 H new ATOM 957 N LEU A 61 4.239 3.916 -11.339 1.00 61.25 N ATOM 958 CA LEU A 61 5.280 3.034 -11.853 1.00 34.25 C ATOM 959 C LEU A 61 5.825 3.550 -13.182 1.00 45.40 C ATOM 960 O LEU A 61 6.979 3.305 -13.530 1.00 44.34 O ATOM 961 CB LEU A 61 4.735 1.616 -12.031 1.00 64.13 C ATOM 962 CG LEU A 61 4.197 0.941 -10.768 1.00 11.43 C ATOM 963 CD1 LEU A 61 2.857 0.277 -11.047 1.00 43.32 C ATOM 964 CD2 LEU A 61 5.198 -0.075 -10.239 1.00 60.12 C ATOM 0 H LEU A 61 3.376 3.440 -11.076 1.00 61.25 H new ATOM 0 HA LEU A 61 6.094 3.016 -11.129 1.00 34.25 H new ATOM 0 HB2 LEU A 61 3.936 1.646 -12.772 1.00 64.13 H new ATOM 0 HB3 LEU A 61 5.528 0.992 -12.443 1.00 64.13 H new ATOM 0 HG LEU A 61 4.048 1.706 -10.006 1.00 11.43 H new ATOM 0 HD11 LEU A 61 2.490 -0.198 -10.137 1.00 43.32 H new ATOM 0 HD12 LEU A 61 2.141 1.029 -11.379 1.00 43.32 H new ATOM 0 HD13 LEU A 61 2.979 -0.476 -11.825 1.00 43.32 H new ATOM 0 HD21 LEU A 61 4.799 -0.545 -9.340 1.00 60.12 H new ATOM 0 HD22 LEU A 61 5.379 -0.837 -10.998 1.00 60.12 H new ATOM 0 HD23 LEU A 61 6.135 0.428 -9.999 1.00 60.12 H new ATOM 976 N GLY A 62 4.984 4.271 -13.919 1.00 22.20 N ATOM 977 CA GLY A 62 5.400 4.813 -15.200 1.00 5.40 C ATOM 978 C GLY A 62 6.478 5.868 -15.060 1.00 53.52 C ATOM 979 O GLY A 62 7.359 5.981 -15.912 1.00 23.14 O ATOM 0 H GLY A 62 4.024 4.489 -13.652 1.00 22.20 H new ATOM 0 HA2 GLY A 62 5.767 4.004 -15.831 1.00 5.40 H new ATOM 0 HA3 GLY A 62 4.537 5.245 -15.706 1.00 5.40 H new ATOM 983 N GLN A 63 6.409 6.644 -13.983 1.00 43.23 N ATOM 984 CA GLN A 63 7.387 7.697 -13.737 1.00 54.24 C ATOM 985 C GLN A 63 8.744 7.106 -13.372 1.00 41.10 C ATOM 986 O GLN A 63 9.780 7.543 -13.876 1.00 43.05 O ATOM 987 CB GLN A 63 6.903 8.621 -12.617 1.00 0.42 C ATOM 988 CG GLN A 63 6.270 9.908 -13.121 1.00 33.44 C ATOM 989 CD GLN A 63 4.777 9.966 -12.861 1.00 15.31 C ATOM 990 OE1 GLN A 63 3.975 10.026 -13.793 1.00 51.50 O ATOM 991 NE2 GLN A 63 4.398 9.948 -11.589 1.00 25.22 N ATOM 0 H GLN A 63 5.687 6.563 -13.267 1.00 43.23 H new ATOM 0 HA GLN A 63 7.498 8.275 -14.654 1.00 54.24 H new ATOM 0 HB2 GLN A 63 6.179 8.086 -12.003 1.00 0.42 H new ATOM 0 HB3 GLN A 63 7.746 8.869 -11.972 1.00 0.42 H new ATOM 0 HG2 GLN A 63 6.752 10.758 -12.639 1.00 33.44 H new ATOM 0 HG3 GLN A 63 6.452 10.003 -14.191 1.00 33.44 H new ATOM 0 HE21 GLN A 63 5.098 9.898 -10.849 1.00 25.22 H new ATOM 0 HE22 GLN A 63 3.407 9.985 -11.352 1.00 25.22 H new ATOM 1000 N LEU A 64 8.732 6.110 -12.493 1.00 73.10 N ATOM 1001 CA LEU A 64 9.963 5.456 -12.059 1.00 10.53 C ATOM 1002 C LEU A 64 10.456 4.470 -13.113 1.00 1.12 C ATOM 1003 O LEU A 64 11.631 4.107 -13.134 1.00 33.54 O ATOM 1004 CB LEU A 64 9.739 4.733 -10.731 1.00 21.50 C ATOM 1005 CG LEU A 64 8.926 5.492 -9.682 1.00 45.12 C ATOM 1006 CD1 LEU A 64 8.659 4.609 -8.473 1.00 45.53 C ATOM 1007 CD2 LEU A 64 9.648 6.765 -9.266 1.00 54.35 C ATOM 0 H LEU A 64 7.884 5.737 -12.066 1.00 73.10 H new ATOM 0 HA LEU A 64 10.725 6.224 -11.922 1.00 10.53 H new ATOM 0 HB2 LEU A 64 9.238 3.787 -10.935 1.00 21.50 H new ATOM 0 HB3 LEU A 64 10.712 4.492 -10.303 1.00 21.50 H new ATOM 0 HG LEU A 64 7.968 5.769 -10.123 1.00 45.12 H new ATOM 0 HD11 LEU A 64 8.079 5.166 -7.737 1.00 45.53 H new ATOM 0 HD12 LEU A 64 8.100 3.727 -8.783 1.00 45.53 H new ATOM 0 HD13 LEU A 64 9.607 4.301 -8.031 1.00 45.53 H new ATOM 0 HD21 LEU A 64 9.055 7.292 -8.519 1.00 54.35 H new ATOM 0 HD22 LEU A 64 10.620 6.511 -8.844 1.00 54.35 H new ATOM 0 HD23 LEU A 64 9.787 7.406 -10.137 1.00 54.35 H new ATOM 1019 N GLN A 65 9.549 4.041 -13.986 1.00 54.24 N ATOM 1020 CA GLN A 65 9.893 3.097 -15.042 1.00 51.23 C ATOM 1021 C GLN A 65 11.162 3.531 -15.768 1.00 75.53 C ATOM 1022 O GLN A 65 12.167 2.818 -15.792 1.00 52.41 O ATOM 1023 CB GLN A 65 8.739 2.973 -16.039 1.00 40.41 C ATOM 1024 CG GLN A 65 8.127 1.582 -16.090 1.00 33.13 C ATOM 1025 CD GLN A 65 7.695 1.187 -17.489 1.00 72.11 C ATOM 1026 OE1 GLN A 65 8.032 0.105 -17.972 1.00 11.42 O ATOM 1027 NE2 GLN A 65 6.944 2.062 -18.146 1.00 15.35 N ATOM 0 H GLN A 65 8.571 4.332 -13.982 1.00 54.24 H new ATOM 0 HA GLN A 65 10.073 2.126 -14.582 1.00 51.23 H new ATOM 0 HB2 GLN A 65 7.964 3.693 -15.776 1.00 40.41 H new ATOM 0 HB3 GLN A 65 9.098 3.240 -17.033 1.00 40.41 H new ATOM 0 HG2 GLN A 65 8.851 0.857 -15.719 1.00 33.13 H new ATOM 0 HG3 GLN A 65 7.266 1.543 -15.423 1.00 33.13 H new ATOM 0 HE21 GLN A 65 6.689 2.946 -17.707 1.00 15.35 H new ATOM 0 HE22 GLN A 65 6.622 1.850 -19.090 1.00 15.35 H new ATOM 1036 N PRO A 66 11.120 4.727 -16.374 1.00 60.23 N ATOM 1037 CA PRO A 66 12.258 5.282 -17.110 1.00 34.01 C ATOM 1038 C PRO A 66 13.407 5.680 -16.189 1.00 1.41 C ATOM 1039 O PRO A 66 14.426 6.202 -16.642 1.00 62.25 O ATOM 1040 CB PRO A 66 11.669 6.518 -17.796 1.00 72.02 C ATOM 1041 CG PRO A 66 10.514 6.910 -16.940 1.00 33.24 C ATOM 1042 CD PRO A 66 9.956 5.629 -16.385 1.00 60.22 C ATOM 0 HA PRO A 66 12.687 4.558 -17.802 1.00 34.01 H new ATOM 0 HB2 PRO A 66 12.403 7.321 -17.863 1.00 72.02 H new ATOM 0 HB3 PRO A 66 11.349 6.292 -18.813 1.00 72.02 H new ATOM 0 HG2 PRO A 66 10.831 7.577 -16.138 1.00 33.24 H new ATOM 0 HG3 PRO A 66 9.762 7.444 -17.520 1.00 33.24 H new ATOM 0 HD2 PRO A 66 9.547 5.769 -15.385 1.00 60.22 H new ATOM 0 HD3 PRO A 66 9.151 5.238 -17.007 1.00 60.22 H new ATOM 1050 N SER A 67 13.234 5.433 -14.895 1.00 75.54 N ATOM 1051 CA SER A 67 14.256 5.769 -13.909 1.00 21.25 C ATOM 1052 C SER A 67 14.846 4.507 -13.288 1.00 52.12 C ATOM 1053 O SER A 67 15.867 4.559 -12.599 1.00 43.44 O ATOM 1054 CB SER A 67 13.664 6.661 -12.816 1.00 15.24 C ATOM 1055 OG SER A 67 14.595 7.649 -12.407 1.00 1.31 O ATOM 0 H SER A 67 12.396 5.002 -14.504 1.00 75.54 H new ATOM 0 HA SER A 67 15.054 6.310 -14.417 1.00 21.25 H new ATOM 0 HB2 SER A 67 12.757 7.141 -13.185 1.00 15.24 H new ATOM 0 HB3 SER A 67 13.376 6.051 -11.960 1.00 15.24 H new ATOM 0 HG SER A 67 14.194 8.208 -11.709 1.00 1.31 H new ATOM 1061 N LEU A 68 14.199 3.374 -13.535 1.00 30.02 N ATOM 1062 CA LEU A 68 14.659 2.097 -13.001 1.00 41.25 C ATOM 1063 C LEU A 68 16.085 1.800 -13.452 1.00 13.12 C ATOM 1064 O LEU A 68 16.819 1.072 -12.783 1.00 51.33 O ATOM 1065 CB LEU A 68 13.726 0.970 -13.446 1.00 61.34 C ATOM 1066 CG LEU A 68 12.362 0.917 -12.758 1.00 61.15 C ATOM 1067 CD1 LEU A 68 11.393 0.061 -13.558 1.00 20.43 C ATOM 1068 CD2 LEU A 68 12.499 0.384 -11.339 1.00 51.12 C ATOM 0 H LEU A 68 13.353 3.313 -14.102 1.00 30.02 H new ATOM 0 HA LEU A 68 14.648 2.161 -11.913 1.00 41.25 H new ATOM 0 HB2 LEU A 68 13.565 1.061 -14.520 1.00 61.34 H new ATOM 0 HB3 LEU A 68 14.232 0.019 -13.279 1.00 61.34 H new ATOM 0 HG LEU A 68 11.964 1.930 -12.707 1.00 61.15 H new ATOM 0 HD11 LEU A 68 10.428 0.035 -13.053 1.00 20.43 H new ATOM 0 HD12 LEU A 68 11.270 0.485 -14.554 1.00 20.43 H new ATOM 0 HD13 LEU A 68 11.786 -0.952 -13.641 1.00 20.43 H new ATOM 0 HD21 LEU A 68 11.518 0.354 -10.865 1.00 51.12 H new ATOM 0 HD22 LEU A 68 12.920 -0.621 -11.367 1.00 51.12 H new ATOM 0 HD23 LEU A 68 13.158 1.037 -10.767 1.00 51.12 H new ATOM 1080 N GLN A 69 16.471 2.369 -14.590 1.00 73.14 N ATOM 1081 CA GLN A 69 17.812 2.167 -15.128 1.00 24.43 C ATOM 1082 C GLN A 69 18.872 2.444 -14.069 1.00 52.30 C ATOM 1083 O GLN A 69 19.787 1.646 -13.865 1.00 72.42 O ATOM 1084 CB GLN A 69 18.037 3.068 -16.343 1.00 33.30 C ATOM 1085 CG GLN A 69 18.879 2.422 -17.432 1.00 2.43 C ATOM 1086 CD GLN A 69 18.042 1.673 -18.450 1.00 12.30 C ATOM 1087 OE1 GLN A 69 17.587 2.248 -19.439 1.00 34.43 O ATOM 1088 NE2 GLN A 69 17.834 0.384 -18.212 1.00 35.03 N ATOM 0 H GLN A 69 15.875 2.973 -15.157 1.00 73.14 H new ATOM 0 HA GLN A 69 17.899 1.125 -15.436 1.00 24.43 H new ATOM 0 HB2 GLN A 69 17.070 3.348 -16.761 1.00 33.30 H new ATOM 0 HB3 GLN A 69 18.522 3.988 -16.018 1.00 33.30 H new ATOM 0 HG2 GLN A 69 19.460 3.191 -17.941 1.00 2.43 H new ATOM 0 HG3 GLN A 69 19.591 1.734 -16.976 1.00 2.43 H new ATOM 0 HE21 GLN A 69 18.231 -0.051 -17.379 1.00 35.03 H new ATOM 0 HE22 GLN A 69 17.278 -0.171 -18.862 1.00 35.03 H new ATOM 1097 N THR A 70 18.746 3.585 -13.397 1.00 20.23 N ATOM 1098 CA THR A 70 19.694 3.970 -12.360 1.00 13.23 C ATOM 1099 C THR A 70 18.990 4.667 -11.202 1.00 44.34 C ATOM 1100 O THR A 70 19.442 5.707 -10.723 1.00 1.40 O ATOM 1101 CB THR A 70 20.787 4.902 -12.917 1.00 73.23 C ATOM 1102 OG1 THR A 70 21.719 5.238 -11.882 1.00 61.22 O ATOM 1103 CG2 THR A 70 20.176 6.173 -13.488 1.00 73.42 C ATOM 0 H THR A 70 17.996 4.258 -13.553 1.00 20.23 H new ATOM 0 HA THR A 70 20.158 3.052 -11.999 1.00 13.23 H new ATOM 0 HB THR A 70 21.307 4.377 -13.718 1.00 73.23 H new ATOM 0 HG1 THR A 70 21.235 5.607 -11.114 1.00 61.22 H new ATOM 0 HG21 THR A 70 20.967 6.815 -13.875 1.00 73.42 H new ATOM 0 HG22 THR A 70 19.490 5.916 -14.295 1.00 73.42 H new ATOM 0 HG23 THR A 70 19.633 6.700 -12.704 1.00 73.42 H new ATOM 1111 N GLY A 71 17.880 4.088 -10.755 1.00 4.13 N ATOM 1112 CA GLY A 71 17.131 4.668 -9.655 1.00 4.02 C ATOM 1113 C GLY A 71 17.710 4.303 -8.303 1.00 30.11 C ATOM 1114 O GLY A 71 18.028 3.140 -8.050 1.00 42.34 O ATOM 0 H GLY A 71 17.486 3.227 -11.135 1.00 4.13 H new ATOM 0 HA2 GLY A 71 17.118 5.753 -9.760 1.00 4.02 H new ATOM 0 HA3 GLY A 71 16.096 4.331 -9.707 1.00 4.02 H new ATOM 1118 N SER A 72 17.849 5.297 -7.432 1.00 31.10 N ATOM 1119 CA SER A 72 18.400 5.075 -6.100 1.00 51.21 C ATOM 1120 C SER A 72 17.700 3.908 -5.411 1.00 20.22 C ATOM 1121 O SER A 72 16.657 3.441 -5.866 1.00 65.31 O ATOM 1122 CB SER A 72 18.261 6.341 -5.252 1.00 60.34 C ATOM 1123 OG SER A 72 16.970 6.429 -4.673 1.00 33.04 O ATOM 0 H SER A 72 17.588 6.264 -7.625 1.00 31.10 H new ATOM 0 HA SER A 72 19.457 4.831 -6.206 1.00 51.21 H new ATOM 0 HB2 SER A 72 19.016 6.340 -4.466 1.00 60.34 H new ATOM 0 HB3 SER A 72 18.446 7.219 -5.871 1.00 60.34 H new ATOM 0 HG SER A 72 16.908 7.246 -4.135 1.00 33.04 H new ATOM 1129 N GLU A 73 18.284 3.443 -4.311 1.00 20.42 N ATOM 1130 CA GLU A 73 17.718 2.329 -3.559 1.00 4.04 C ATOM 1131 C GLU A 73 16.243 2.573 -3.253 1.00 51.50 C ATOM 1132 O GLU A 73 15.455 1.634 -3.156 1.00 73.55 O ATOM 1133 CB GLU A 73 18.492 2.118 -2.256 1.00 15.02 C ATOM 1134 CG GLU A 73 18.414 3.299 -1.304 1.00 75.42 C ATOM 1135 CD GLU A 73 19.474 3.245 -0.220 1.00 30.34 C ATOM 1136 OE1 GLU A 73 19.875 2.125 0.161 1.00 62.05 O ATOM 1137 OE2 GLU A 73 19.902 4.321 0.247 1.00 41.12 O ATOM 0 H GLU A 73 19.148 3.820 -3.921 1.00 20.42 H new ATOM 0 HA GLU A 73 17.801 1.431 -4.172 1.00 4.04 H new ATOM 0 HB2 GLU A 73 18.106 1.231 -1.754 1.00 15.02 H new ATOM 0 HB3 GLU A 73 19.538 1.921 -2.492 1.00 15.02 H new ATOM 0 HG2 GLU A 73 18.524 4.224 -1.869 1.00 75.42 H new ATOM 0 HG3 GLU A 73 17.427 3.324 -0.841 1.00 75.42 H new ATOM 1144 N GLU A 74 15.878 3.843 -3.102 1.00 10.41 N ATOM 1145 CA GLU A 74 14.499 4.211 -2.806 1.00 65.22 C ATOM 1146 C GLU A 74 13.588 3.906 -3.991 1.00 63.51 C ATOM 1147 O GLU A 74 12.523 3.306 -3.832 1.00 51.15 O ATOM 1148 CB GLU A 74 14.409 5.697 -2.449 1.00 72.42 C ATOM 1149 CG GLU A 74 14.269 5.957 -0.958 1.00 24.15 C ATOM 1150 CD GLU A 74 14.895 7.272 -0.535 1.00 61.32 C ATOM 1151 OE1 GLU A 74 16.031 7.556 -0.968 1.00 24.23 O ATOM 1152 OE2 GLU A 74 14.246 8.016 0.229 1.00 55.54 O ATOM 0 H GLU A 74 16.518 4.633 -3.180 1.00 10.41 H new ATOM 0 HA GLU A 74 14.168 3.619 -1.953 1.00 65.22 H new ATOM 0 HB2 GLU A 74 15.301 6.205 -2.816 1.00 72.42 H new ATOM 0 HB3 GLU A 74 13.556 6.136 -2.968 1.00 72.42 H new ATOM 0 HG2 GLU A 74 13.212 5.959 -0.691 1.00 24.15 H new ATOM 0 HG3 GLU A 74 14.736 5.142 -0.405 1.00 24.15 H new ATOM 1159 N LEU A 75 14.012 4.322 -5.179 1.00 63.33 N ATOM 1160 CA LEU A 75 13.235 4.094 -6.392 1.00 22.05 C ATOM 1161 C LEU A 75 13.015 2.602 -6.626 1.00 21.10 C ATOM 1162 O LEU A 75 11.957 2.188 -7.098 1.00 74.41 O ATOM 1163 CB LEU A 75 13.943 4.712 -7.598 1.00 34.42 C ATOM 1164 CG LEU A 75 13.059 5.030 -8.805 1.00 63.02 C ATOM 1165 CD1 LEU A 75 13.409 6.395 -9.378 1.00 43.40 C ATOM 1166 CD2 LEU A 75 13.200 3.951 -9.869 1.00 3.13 C ATOM 0 H LEU A 75 14.890 4.819 -5.328 1.00 63.33 H new ATOM 0 HA LEU A 75 12.263 4.570 -6.266 1.00 22.05 H new ATOM 0 HB2 LEU A 75 14.429 5.633 -7.276 1.00 34.42 H new ATOM 0 HB3 LEU A 75 14.731 4.031 -7.919 1.00 34.42 H new ATOM 0 HG LEU A 75 12.021 5.053 -8.474 1.00 63.02 H new ATOM 0 HD11 LEU A 75 12.770 6.604 -10.236 1.00 43.40 H new ATOM 0 HD12 LEU A 75 13.256 7.160 -8.616 1.00 43.40 H new ATOM 0 HD13 LEU A 75 14.453 6.401 -9.693 1.00 43.40 H new ATOM 0 HD21 LEU A 75 12.564 4.194 -10.720 1.00 3.13 H new ATOM 0 HD22 LEU A 75 14.238 3.896 -10.196 1.00 3.13 H new ATOM 0 HD23 LEU A 75 12.899 2.989 -9.454 1.00 3.13 H new ATOM 1178 N ARG A 76 14.022 1.802 -6.291 1.00 64.43 N ATOM 1179 CA ARG A 76 13.938 0.356 -6.463 1.00 72.05 C ATOM 1180 C ARG A 76 13.015 -0.263 -5.418 1.00 30.03 C ATOM 1181 O ARG A 76 12.192 -1.122 -5.734 1.00 64.02 O ATOM 1182 CB ARG A 76 15.330 -0.271 -6.365 1.00 34.34 C ATOM 1183 CG ARG A 76 15.818 -0.875 -7.672 1.00 74.23 C ATOM 1184 CD ARG A 76 16.715 0.090 -8.431 1.00 73.14 C ATOM 1185 NE ARG A 76 18.106 0.003 -7.994 1.00 33.13 N ATOM 1186 CZ ARG A 76 18.943 -0.949 -8.392 1.00 61.12 C ATOM 1187 NH1 ARG A 76 18.532 -1.889 -9.231 1.00 21.21 N ATOM 1188 NH2 ARG A 76 20.195 -0.962 -7.951 1.00 41.12 N ATOM 0 H ARG A 76 14.905 2.130 -5.899 1.00 64.43 H new ATOM 0 HA ARG A 76 13.525 0.156 -7.452 1.00 72.05 H new ATOM 0 HB2 ARG A 76 16.040 0.489 -6.038 1.00 34.34 H new ATOM 0 HB3 ARG A 76 15.317 -1.046 -5.599 1.00 34.34 H new ATOM 0 HG2 ARG A 76 16.364 -1.796 -7.467 1.00 74.23 H new ATOM 0 HG3 ARG A 76 14.963 -1.143 -8.292 1.00 74.23 H new ATOM 0 HD2 ARG A 76 16.656 -0.124 -9.498 1.00 73.14 H new ATOM 0 HD3 ARG A 76 16.354 1.109 -8.289 1.00 73.14 H new ATOM 0 HE ARG A 76 18.454 0.712 -7.348 1.00 33.13 H new ATOM 0 HH11 ARG A 76 17.571 -1.883 -9.573 1.00 21.21 H new ATOM 0 HH12 ARG A 76 19.177 -2.619 -9.535 1.00 21.21 H new ATOM 0 HH21 ARG A 76 20.516 -0.240 -7.305 1.00 41.12 H new ATOM 0 HH22 ARG A 76 20.836 -1.694 -8.258 1.00 41.12 H new ATOM 1202 N SER A 77 13.158 0.178 -4.172 1.00 4.35 N ATOM 1203 CA SER A 77 12.340 -0.336 -3.081 1.00 64.15 C ATOM 1204 C SER A 77 10.881 0.078 -3.252 1.00 54.22 C ATOM 1205 O SER A 77 9.971 -0.598 -2.772 1.00 21.03 O ATOM 1206 CB SER A 77 12.871 0.167 -1.736 1.00 5.14 C ATOM 1207 OG SER A 77 11.961 -0.121 -0.689 1.00 14.03 O ATOM 0 H SER A 77 13.833 0.890 -3.894 1.00 4.35 H new ATOM 0 HA SER A 77 12.395 -1.424 -3.101 1.00 64.15 H new ATOM 0 HB2 SER A 77 13.833 -0.299 -1.524 1.00 5.14 H new ATOM 0 HB3 SER A 77 13.042 1.242 -1.788 1.00 5.14 H new ATOM 0 HG SER A 77 11.372 0.649 -0.546 1.00 14.03 H new ATOM 1213 N LEU A 78 10.668 1.196 -3.938 1.00 30.12 N ATOM 1214 CA LEU A 78 9.321 1.702 -4.175 1.00 2.11 C ATOM 1215 C LEU A 78 8.574 0.822 -5.172 1.00 73.11 C ATOM 1216 O LEU A 78 7.509 0.287 -4.868 1.00 63.23 O ATOM 1217 CB LEU A 78 9.379 3.141 -4.691 1.00 52.13 C ATOM 1218 CG LEU A 78 8.972 4.228 -3.695 1.00 54.20 C ATOM 1219 CD1 LEU A 78 7.577 3.959 -3.152 1.00 53.23 C ATOM 1220 CD2 LEU A 78 9.981 4.317 -2.560 1.00 60.43 C ATOM 0 H LEU A 78 11.411 1.769 -4.339 1.00 30.12 H new ATOM 0 HA LEU A 78 8.782 1.683 -3.228 1.00 2.11 H new ATOM 0 HB2 LEU A 78 10.396 3.345 -5.026 1.00 52.13 H new ATOM 0 HB3 LEU A 78 8.734 3.218 -5.566 1.00 52.13 H new ATOM 0 HG LEU A 78 8.958 5.185 -4.217 1.00 54.20 H new ATOM 0 HD11 LEU A 78 7.304 4.743 -2.445 1.00 53.23 H new ATOM 0 HD12 LEU A 78 6.862 3.948 -3.975 1.00 53.23 H new ATOM 0 HD13 LEU A 78 7.563 2.993 -2.646 1.00 53.23 H new ATOM 0 HD21 LEU A 78 9.675 5.096 -1.861 1.00 60.43 H new ATOM 0 HD22 LEU A 78 10.028 3.361 -2.039 1.00 60.43 H new ATOM 0 HD23 LEU A 78 10.964 4.559 -2.965 1.00 60.43 H new ATOM 1232 N TYR A 79 9.143 0.675 -6.364 1.00 65.00 N ATOM 1233 CA TYR A 79 8.532 -0.140 -7.406 1.00 3.45 C ATOM 1234 C TYR A 79 8.139 -1.512 -6.866 1.00 52.41 C ATOM 1235 O TYR A 79 7.081 -2.043 -7.199 1.00 33.33 O ATOM 1236 CB TYR A 79 9.491 -0.300 -8.587 1.00 54.20 C ATOM 1237 CG TYR A 79 8.794 -0.414 -9.924 1.00 71.45 C ATOM 1238 CD1 TYR A 79 8.262 -1.625 -10.351 1.00 52.42 C ATOM 1239 CD2 TYR A 79 8.667 0.689 -10.759 1.00 43.12 C ATOM 1240 CE1 TYR A 79 7.625 -1.733 -11.571 1.00 34.31 C ATOM 1241 CE2 TYR A 79 8.030 0.590 -11.981 1.00 62.22 C ATOM 1242 CZ TYR A 79 7.511 -0.624 -12.383 1.00 75.42 C ATOM 1243 OH TYR A 79 6.876 -0.728 -13.600 1.00 64.23 O ATOM 0 H TYR A 79 10.026 1.110 -6.632 1.00 65.00 H new ATOM 0 HA TYR A 79 7.630 0.368 -7.746 1.00 3.45 H new ATOM 0 HB2 TYR A 79 10.168 0.554 -8.612 1.00 54.20 H new ATOM 0 HB3 TYR A 79 10.103 -1.188 -8.429 1.00 54.20 H new ATOM 0 HD1 TYR A 79 8.348 -2.496 -9.718 1.00 52.42 H new ATOM 0 HD2 TYR A 79 9.073 1.640 -10.448 1.00 43.12 H new ATOM 0 HE1 TYR A 79 7.218 -2.682 -11.888 1.00 34.31 H new ATOM 0 HE2 TYR A 79 7.939 1.457 -12.618 1.00 62.22 H new ATOM 0 HH TYR A 79 6.188 -1.424 -13.552 1.00 64.23 H new ATOM 1253 N ASN A 80 9.002 -2.079 -6.029 1.00 31.24 N ATOM 1254 CA ASN A 80 8.747 -3.389 -5.441 1.00 73.21 C ATOM 1255 C ASN A 80 7.527 -3.346 -4.525 1.00 53.14 C ATOM 1256 O ASN A 80 6.823 -4.343 -4.362 1.00 33.20 O ATOM 1257 CB ASN A 80 9.971 -3.866 -4.657 1.00 74.31 C ATOM 1258 CG ASN A 80 10.864 -4.777 -5.478 1.00 73.11 C ATOM 1259 OD1 ASN A 80 10.620 -5.001 -6.663 1.00 25.11 O ATOM 1260 ND2 ASN A 80 11.907 -5.306 -4.849 1.00 30.21 N ATOM 0 H ASN A 80 9.883 -1.652 -5.743 1.00 31.24 H new ATOM 0 HA ASN A 80 8.547 -4.091 -6.251 1.00 73.21 H new ATOM 0 HB2 ASN A 80 10.546 -3.002 -4.325 1.00 74.31 H new ATOM 0 HB3 ASN A 80 9.643 -4.394 -3.762 1.00 74.31 H new ATOM 0 HD21 ASN A 80 12.544 -5.926 -5.350 1.00 30.21 H new ATOM 0 HD22 ASN A 80 12.071 -5.093 -3.865 1.00 30.21 H new ATOM 1267 N THR A 81 7.284 -2.184 -3.928 1.00 65.05 N ATOM 1268 CA THR A 81 6.150 -2.010 -3.028 1.00 75.21 C ATOM 1269 C THR A 81 4.890 -1.636 -3.798 1.00 43.43 C ATOM 1270 O THR A 81 3.912 -2.385 -3.809 1.00 14.02 O ATOM 1271 CB THR A 81 6.434 -0.927 -1.971 1.00 43.54 C ATOM 1272 OG1 THR A 81 7.697 -1.173 -1.343 1.00 41.23 O ATOM 1273 CG2 THR A 81 5.336 -0.898 -0.918 1.00 54.22 C ATOM 0 H THR A 81 7.857 -1.349 -4.051 1.00 65.05 H new ATOM 0 HA THR A 81 5.995 -2.965 -2.526 1.00 75.21 H new ATOM 0 HB THR A 81 6.461 0.040 -2.473 1.00 43.54 H new ATOM 0 HG1 THR A 81 8.420 -0.899 -1.945 1.00 41.23 H new ATOM 0 HG21 THR A 81 5.558 -0.125 -0.182 1.00 54.22 H new ATOM 0 HG22 THR A 81 4.380 -0.681 -1.395 1.00 54.22 H new ATOM 0 HG23 THR A 81 5.282 -1.867 -0.422 1.00 54.22 H new ATOM 1281 N ILE A 82 4.917 -0.472 -4.439 1.00 61.02 N ATOM 1282 CA ILE A 82 3.775 0.001 -5.213 1.00 75.23 C ATOM 1283 C ILE A 82 3.222 -1.104 -6.106 1.00 13.43 C ATOM 1284 O ILE A 82 2.010 -1.231 -6.276 1.00 71.23 O ATOM 1285 CB ILE A 82 4.151 1.213 -6.086 1.00 60.04 C ATOM 1286 CG1 ILE A 82 4.650 2.364 -5.211 1.00 55.02 C ATOM 1287 CG2 ILE A 82 2.958 1.653 -6.920 1.00 3.42 C ATOM 1288 CD1 ILE A 82 5.755 3.174 -5.851 1.00 14.10 C ATOM 0 H ILE A 82 5.717 0.161 -4.438 1.00 61.02 H new ATOM 0 HA ILE A 82 3.010 0.303 -4.497 1.00 75.23 H new ATOM 0 HB ILE A 82 4.955 0.921 -6.762 1.00 60.04 H new ATOM 0 HG12 ILE A 82 3.813 3.024 -4.981 1.00 55.02 H new ATOM 0 HG13 ILE A 82 5.008 1.961 -4.264 1.00 55.02 H new ATOM 0 HG21 ILE A 82 3.238 2.510 -7.532 1.00 3.42 H new ATOM 0 HG22 ILE A 82 2.644 0.833 -7.566 1.00 3.42 H new ATOM 0 HG23 ILE A 82 2.136 1.931 -6.261 1.00 3.42 H new ATOM 0 HD11 ILE A 82 6.059 3.973 -5.174 1.00 14.10 H new ATOM 0 HD12 ILE A 82 6.608 2.527 -6.056 1.00 14.10 H new ATOM 0 HD13 ILE A 82 5.395 3.607 -6.784 1.00 14.10 H new ATOM 1300 N ALA A 83 4.119 -1.902 -6.675 1.00 13.13 N ATOM 1301 CA ALA A 83 3.722 -2.999 -7.549 1.00 24.00 C ATOM 1302 C ALA A 83 2.788 -3.965 -6.827 1.00 2.35 C ATOM 1303 O ALA A 83 1.768 -4.385 -7.376 1.00 73.54 O ATOM 1304 CB ALA A 83 4.949 -3.735 -8.065 1.00 30.24 C ATOM 0 H ALA A 83 5.127 -1.809 -6.546 1.00 13.13 H new ATOM 0 HA ALA A 83 3.182 -2.577 -8.397 1.00 24.00 H new ATOM 0 HB1 ALA A 83 4.637 -4.551 -8.716 1.00 30.24 H new ATOM 0 HB2 ALA A 83 5.579 -3.044 -8.626 1.00 30.24 H new ATOM 0 HB3 ALA A 83 5.512 -4.138 -7.223 1.00 30.24 H new ATOM 1310 N VAL A 84 3.142 -4.313 -5.595 1.00 65.05 N ATOM 1311 CA VAL A 84 2.334 -5.228 -4.797 1.00 35.11 C ATOM 1312 C VAL A 84 0.916 -4.699 -4.620 1.00 53.01 C ATOM 1313 O VAL A 84 -0.058 -5.440 -4.759 1.00 34.55 O ATOM 1314 CB VAL A 84 2.961 -5.466 -3.409 1.00 5.44 C ATOM 1315 CG1 VAL A 84 2.069 -6.367 -2.569 1.00 43.44 C ATOM 1316 CG2 VAL A 84 4.354 -6.059 -3.548 1.00 21.31 C ATOM 0 H VAL A 84 3.983 -3.975 -5.127 1.00 65.05 H new ATOM 0 HA VAL A 84 2.299 -6.174 -5.338 1.00 35.11 H new ATOM 0 HB VAL A 84 3.050 -4.506 -2.900 1.00 5.44 H new ATOM 0 HG11 VAL A 84 2.527 -6.524 -1.593 1.00 43.44 H new ATOM 0 HG12 VAL A 84 1.094 -5.897 -2.441 1.00 43.44 H new ATOM 0 HG13 VAL A 84 1.946 -7.327 -3.071 1.00 43.44 H new ATOM 0 HG21 VAL A 84 4.781 -6.220 -2.558 1.00 21.31 H new ATOM 0 HG22 VAL A 84 4.293 -7.010 -4.076 1.00 21.31 H new ATOM 0 HG23 VAL A 84 4.988 -5.372 -4.109 1.00 21.31 H new ATOM 1326 N LEU A 85 0.806 -3.411 -4.310 1.00 24.41 N ATOM 1327 CA LEU A 85 -0.494 -2.781 -4.113 1.00 5.34 C ATOM 1328 C LEU A 85 -1.311 -2.803 -5.402 1.00 54.51 C ATOM 1329 O LEU A 85 -2.460 -3.245 -5.414 1.00 1.53 O ATOM 1330 CB LEU A 85 -0.317 -1.340 -3.633 1.00 43.14 C ATOM 1331 CG LEU A 85 -1.568 -0.462 -3.669 1.00 42.42 C ATOM 1332 CD1 LEU A 85 -2.635 -1.014 -2.737 1.00 44.50 C ATOM 1333 CD2 LEU A 85 -1.224 0.973 -3.296 1.00 34.04 C ATOM 0 H LEU A 85 1.601 -2.784 -4.190 1.00 24.41 H new ATOM 0 HA LEU A 85 -1.033 -3.347 -3.353 1.00 5.34 H new ATOM 0 HB2 LEU A 85 0.057 -1.363 -2.610 1.00 43.14 H new ATOM 0 HB3 LEU A 85 0.452 -0.867 -4.243 1.00 43.14 H new ATOM 0 HG LEU A 85 -1.963 -0.468 -4.685 1.00 42.42 H new ATOM 0 HD11 LEU A 85 -3.518 -0.376 -2.776 1.00 44.50 H new ATOM 0 HD12 LEU A 85 -2.903 -2.024 -3.048 1.00 44.50 H new ATOM 0 HD13 LEU A 85 -2.250 -1.039 -1.718 1.00 44.50 H new ATOM 0 HD21 LEU A 85 -2.127 1.583 -3.327 1.00 34.04 H new ATOM 0 HD22 LEU A 85 -0.804 0.997 -2.290 1.00 34.04 H new ATOM 0 HD23 LEU A 85 -0.495 1.368 -4.003 1.00 34.04 H new ATOM 1345 N TYR A 86 -0.709 -2.324 -6.485 1.00 74.52 N ATOM 1346 CA TYR A 86 -1.380 -2.288 -7.779 1.00 12.12 C ATOM 1347 C TYR A 86 -2.140 -3.585 -8.036 1.00 45.12 C ATOM 1348 O TYR A 86 -3.326 -3.568 -8.366 1.00 40.14 O ATOM 1349 CB TYR A 86 -0.363 -2.051 -8.897 1.00 13.31 C ATOM 1350 CG TYR A 86 -0.915 -2.304 -10.282 1.00 23.12 C ATOM 1351 CD1 TYR A 86 -1.976 -1.555 -10.776 1.00 31.32 C ATOM 1352 CD2 TYR A 86 -0.376 -3.293 -11.095 1.00 11.45 C ATOM 1353 CE1 TYR A 86 -2.484 -1.785 -12.041 1.00 72.22 C ATOM 1354 CE2 TYR A 86 -0.877 -3.528 -12.361 1.00 32.11 C ATOM 1355 CZ TYR A 86 -1.931 -2.772 -12.829 1.00 33.43 C ATOM 1356 OH TYR A 86 -2.433 -3.003 -14.090 1.00 43.43 O ATOM 0 H TYR A 86 0.242 -1.955 -6.492 1.00 74.52 H new ATOM 0 HA TYR A 86 -2.095 -1.466 -7.765 1.00 12.12 H new ATOM 0 HB2 TYR A 86 -0.006 -1.023 -8.840 1.00 13.31 H new ATOM 0 HB3 TYR A 86 0.499 -2.698 -8.735 1.00 13.31 H new ATOM 0 HD1 TYR A 86 -2.411 -0.780 -10.162 1.00 31.32 H new ATOM 0 HD2 TYR A 86 0.449 -3.888 -10.731 1.00 11.45 H new ATOM 0 HE1 TYR A 86 -3.310 -1.195 -12.410 1.00 72.22 H new ATOM 0 HE2 TYR A 86 -0.445 -4.300 -12.981 1.00 32.11 H new ATOM 0 HH TYR A 86 -1.931 -3.731 -14.514 1.00 43.43 H new ATOM 1366 N CYS A 87 -1.449 -4.709 -7.880 1.00 75.45 N ATOM 1367 CA CYS A 87 -2.058 -6.017 -8.094 1.00 54.33 C ATOM 1368 C CYS A 87 -3.146 -6.286 -7.060 1.00 50.53 C ATOM 1369 O CYS A 87 -4.167 -6.902 -7.364 1.00 71.10 O ATOM 1370 CB CYS A 87 -0.994 -7.114 -8.029 1.00 23.54 C ATOM 1371 SG CYS A 87 -0.020 -7.287 -9.543 1.00 41.22 S ATOM 0 H CYS A 87 -0.467 -4.741 -7.606 1.00 75.45 H new ATOM 0 HA CYS A 87 -2.514 -6.021 -9.084 1.00 54.33 H new ATOM 0 HB2 CYS A 87 -0.320 -6.903 -7.198 1.00 23.54 H new ATOM 0 HB3 CYS A 87 -1.480 -8.065 -7.812 1.00 23.54 H new ATOM 0 HG CYS A 87 0.854 -8.237 -9.390 1.00 41.22 H new ATOM 1377 N VAL A 88 -2.920 -5.821 -5.835 1.00 15.23 N ATOM 1378 CA VAL A 88 -3.881 -6.012 -4.756 1.00 55.43 C ATOM 1379 C VAL A 88 -5.221 -5.368 -5.093 1.00 74.51 C ATOM 1380 O VAL A 88 -6.277 -5.868 -4.705 1.00 75.44 O ATOM 1381 CB VAL A 88 -3.359 -5.423 -3.431 1.00 45.33 C ATOM 1382 CG1 VAL A 88 -4.455 -5.430 -2.376 1.00 25.22 C ATOM 1383 CG2 VAL A 88 -2.140 -6.193 -2.949 1.00 73.22 C ATOM 0 H VAL A 88 -2.080 -5.309 -5.566 1.00 15.23 H new ATOM 0 HA VAL A 88 -4.018 -7.087 -4.639 1.00 55.43 H new ATOM 0 HB VAL A 88 -3.061 -4.389 -3.606 1.00 45.33 H new ATOM 0 HG11 VAL A 88 -4.069 -5.011 -1.447 1.00 25.22 H new ATOM 0 HG12 VAL A 88 -5.297 -4.831 -2.722 1.00 25.22 H new ATOM 0 HG13 VAL A 88 -4.786 -6.454 -2.202 1.00 25.22 H new ATOM 0 HG21 VAL A 88 -1.785 -5.763 -2.012 1.00 73.22 H new ATOM 0 HG22 VAL A 88 -2.409 -7.237 -2.790 1.00 73.22 H new ATOM 0 HG23 VAL A 88 -1.351 -6.131 -3.698 1.00 73.22 H new ATOM 1393 N HIS A 89 -5.171 -4.256 -5.819 1.00 45.33 N ATOM 1394 CA HIS A 89 -6.382 -3.542 -6.210 1.00 65.44 C ATOM 1395 C HIS A 89 -7.022 -4.192 -7.434 1.00 60.15 C ATOM 1396 O HIS A 89 -8.248 -4.140 -7.524 1.00 12.33 O ATOM 1397 CB HIS A 89 -6.064 -2.076 -6.504 1.00 14.22 C ATOM 1398 CG HIS A 89 -5.904 -1.239 -5.272 1.00 0.24 C ATOM 1399 ND1 HIS A 89 -6.771 -1.303 -4.202 1.00 55.42 N ATOM 1400 CD2 HIS A 89 -4.970 -0.317 -4.944 1.00 4.41 C ATOM 1401 CE1 HIS A 89 -6.376 -0.454 -3.269 1.00 62.14 C ATOM 1402 NE2 HIS A 89 -5.285 0.157 -3.695 1.00 22.54 N ATOM 0 H HIS A 89 -4.305 -3.829 -6.149 1.00 45.33 H new ATOM 0 HA HIS A 89 -7.088 -3.592 -5.381 1.00 65.44 H new ATOM 0 HB2 HIS A 89 -5.147 -2.022 -7.091 1.00 14.22 H new ATOM 0 HB3 HIS A 89 -6.861 -1.656 -7.118 1.00 14.22 H new ATOM 0 HD1 HIS A 89 -7.588 -1.910 -4.140 1.00 55.42 H new ATOM 0 HD2 HIS A 89 -4.132 -0.011 -5.552 1.00 4.41 H new ATOM 0 HE1 HIS A 89 -6.863 -0.288 -2.319 1.00 62.14 H new ATOM 1411 N GLN A 90 -6.253 -4.780 -8.344 1.00 71.41 N ATOM 1412 CA GLN A 90 -6.819 -5.413 -9.529 1.00 23.03 C ATOM 1413 C GLN A 90 -7.207 -6.860 -9.241 1.00 33.20 C ATOM 1414 O GLN A 90 -7.298 -7.681 -10.154 1.00 73.12 O ATOM 1415 CB GLN A 90 -5.822 -5.361 -10.687 1.00 52.11 C ATOM 1416 CG GLN A 90 -6.457 -5.595 -12.048 1.00 72.20 C ATOM 1417 CD GLN A 90 -6.867 -4.305 -12.731 1.00 31.44 C ATOM 1418 OE1 GLN A 90 -6.555 -3.212 -12.258 1.00 74.32 O ATOM 1419 NE2 GLN A 90 -7.570 -4.426 -13.851 1.00 21.11 N ATOM 0 H GLN A 90 -5.236 -4.831 -8.283 1.00 71.41 H new ATOM 0 HA GLN A 90 -7.718 -4.864 -9.808 1.00 23.03 H new ATOM 0 HB2 GLN A 90 -5.329 -4.389 -10.688 1.00 52.11 H new ATOM 0 HB3 GLN A 90 -5.048 -6.111 -10.523 1.00 52.11 H new ATOM 0 HG2 GLN A 90 -5.754 -6.131 -12.685 1.00 72.20 H new ATOM 0 HG3 GLN A 90 -7.332 -6.234 -11.931 1.00 72.20 H new ATOM 0 HE21 GLN A 90 -7.806 -5.352 -14.207 1.00 21.11 H new ATOM 0 HE22 GLN A 90 -7.874 -3.593 -14.355 1.00 21.11 H new ATOM 1428 N ARG A 91 -7.434 -7.165 -7.967 1.00 4.54 N ATOM 1429 CA ARG A 91 -7.811 -8.513 -7.559 1.00 12.44 C ATOM 1430 C ARG A 91 -6.770 -9.529 -8.017 1.00 20.13 C ATOM 1431 O ARG A 91 -7.065 -10.718 -8.148 1.00 73.52 O ATOM 1432 CB ARG A 91 -9.182 -8.877 -8.133 1.00 41.10 C ATOM 1433 CG ARG A 91 -10.048 -9.680 -7.175 1.00 33.13 C ATOM 1434 CD ARG A 91 -10.849 -10.743 -7.908 1.00 23.44 C ATOM 1435 NE ARG A 91 -10.270 -12.074 -7.747 1.00 32.44 N ATOM 1436 CZ ARG A 91 -10.729 -13.156 -8.367 1.00 73.31 C ATOM 1437 NH1 ARG A 91 -11.768 -13.065 -9.185 1.00 51.31 N ATOM 1438 NH2 ARG A 91 -10.147 -14.332 -8.169 1.00 74.13 N ATOM 0 H ARG A 91 -7.363 -6.497 -7.200 1.00 4.54 H new ATOM 0 HA ARG A 91 -7.863 -8.536 -6.470 1.00 12.44 H new ATOM 0 HB2 ARG A 91 -9.708 -7.962 -8.405 1.00 41.10 H new ATOM 0 HB3 ARG A 91 -9.043 -9.449 -9.050 1.00 41.10 H new ATOM 0 HG2 ARG A 91 -9.418 -10.153 -6.422 1.00 33.13 H new ATOM 0 HG3 ARG A 91 -10.727 -9.010 -6.648 1.00 33.13 H new ATOM 0 HD2 ARG A 91 -11.873 -10.746 -7.535 1.00 23.44 H new ATOM 0 HD3 ARG A 91 -10.896 -10.494 -8.968 1.00 23.44 H new ATOM 0 HE ARG A 91 -9.469 -12.179 -7.124 1.00 32.44 H new ATOM 0 HH11 ARG A 91 -12.218 -12.163 -9.340 1.00 51.31 H new ATOM 0 HH12 ARG A 91 -12.118 -13.897 -9.659 1.00 51.31 H new ATOM 0 HH21 ARG A 91 -9.347 -14.406 -7.541 1.00 74.13 H new ATOM 0 HH22 ARG A 91 -10.500 -15.162 -8.645 1.00 74.13 H new ATOM 1452 N ILE A 92 -5.553 -9.054 -8.260 1.00 14.03 N ATOM 1453 CA ILE A 92 -4.469 -9.923 -8.702 1.00 52.51 C ATOM 1454 C ILE A 92 -3.743 -10.544 -7.514 1.00 15.34 C ATOM 1455 O ILE A 92 -3.114 -9.841 -6.721 1.00 60.32 O ATOM 1456 CB ILE A 92 -3.451 -9.156 -9.568 1.00 10.51 C ATOM 1457 CG1 ILE A 92 -4.125 -8.620 -10.833 1.00 63.35 C ATOM 1458 CG2 ILE A 92 -2.277 -10.055 -9.927 1.00 54.52 C ATOM 1459 CD1 ILE A 92 -3.266 -7.648 -11.610 1.00 21.31 C ATOM 0 H ILE A 92 -5.293 -8.073 -8.158 1.00 14.03 H new ATOM 0 HA ILE A 92 -4.922 -10.713 -9.301 1.00 52.51 H new ATOM 0 HB ILE A 92 -3.073 -8.310 -8.994 1.00 10.51 H new ATOM 0 HG12 ILE A 92 -4.386 -9.458 -11.479 1.00 63.35 H new ATOM 0 HG13 ILE A 92 -5.058 -8.128 -10.557 1.00 63.35 H new ATOM 0 HG21 ILE A 92 -1.567 -9.499 -10.539 1.00 54.52 H new ATOM 0 HG22 ILE A 92 -1.784 -10.392 -9.015 1.00 54.52 H new ATOM 0 HG23 ILE A 92 -2.638 -10.919 -10.485 1.00 54.52 H new ATOM 0 HD11 ILE A 92 -3.808 -7.310 -12.493 1.00 21.31 H new ATOM 0 HD12 ILE A 92 -3.026 -6.791 -10.981 1.00 21.31 H new ATOM 0 HD13 ILE A 92 -2.344 -8.142 -11.917 1.00 21.31 H new ATOM 1471 N ASP A 93 -3.831 -11.864 -7.398 1.00 1.21 N ATOM 1472 CA ASP A 93 -3.180 -12.581 -6.308 1.00 14.12 C ATOM 1473 C ASP A 93 -1.739 -12.927 -6.670 1.00 31.13 C ATOM 1474 O ASP A 93 -1.489 -13.735 -7.565 1.00 2.45 O ATOM 1475 CB ASP A 93 -3.955 -13.856 -5.974 1.00 71.24 C ATOM 1476 CG ASP A 93 -5.358 -13.568 -5.478 1.00 2.24 C ATOM 1477 OD1 ASP A 93 -6.094 -12.837 -6.174 1.00 31.40 O ATOM 1478 OD2 ASP A 93 -5.721 -14.072 -4.395 1.00 10.00 O ATOM 0 H ASP A 93 -4.347 -12.460 -8.046 1.00 1.21 H new ATOM 0 HA ASP A 93 -3.170 -11.931 -5.433 1.00 14.12 H new ATOM 0 HB2 ASP A 93 -4.009 -14.488 -6.861 1.00 71.24 H new ATOM 0 HB3 ASP A 93 -3.413 -14.419 -5.214 1.00 71.24 H new ATOM 1483 N VAL A 94 -0.793 -12.310 -5.968 1.00 2.43 N ATOM 1484 CA VAL A 94 0.623 -12.552 -6.216 1.00 53.20 C ATOM 1485 C VAL A 94 1.198 -13.534 -5.201 1.00 71.13 C ATOM 1486 O VAL A 94 0.596 -13.789 -4.157 1.00 71.42 O ATOM 1487 CB VAL A 94 1.434 -11.244 -6.163 1.00 54.12 C ATOM 1488 CG1 VAL A 94 0.793 -10.182 -7.043 1.00 3.30 C ATOM 1489 CG2 VAL A 94 1.560 -10.753 -4.729 1.00 61.04 C ATOM 0 H VAL A 94 -0.982 -11.639 -5.223 1.00 2.43 H new ATOM 0 HA VAL A 94 0.701 -12.979 -7.216 1.00 53.20 H new ATOM 0 HB VAL A 94 2.435 -11.443 -6.545 1.00 54.12 H new ATOM 0 HG11 VAL A 94 1.380 -9.265 -6.993 1.00 3.30 H new ATOM 0 HG12 VAL A 94 0.759 -10.535 -8.074 1.00 3.30 H new ATOM 0 HG13 VAL A 94 -0.220 -9.984 -6.694 1.00 3.30 H new ATOM 0 HG21 VAL A 94 2.136 -9.828 -4.710 1.00 61.04 H new ATOM 0 HG22 VAL A 94 0.567 -10.570 -4.318 1.00 61.04 H new ATOM 0 HG23 VAL A 94 2.067 -11.508 -4.129 1.00 61.04 H new ATOM 1499 N LYS A 95 2.366 -14.084 -5.514 1.00 11.12 N ATOM 1500 CA LYS A 95 3.025 -15.038 -4.629 1.00 4.33 C ATOM 1501 C LYS A 95 4.174 -14.377 -3.875 1.00 55.10 C ATOM 1502 O LYS A 95 4.683 -14.923 -2.896 1.00 44.40 O ATOM 1503 CB LYS A 95 3.548 -16.232 -5.433 1.00 50.55 C ATOM 1504 CG LYS A 95 2.453 -17.172 -5.908 1.00 53.53 C ATOM 1505 CD LYS A 95 3.026 -18.358 -6.664 1.00 35.03 C ATOM 1506 CE LYS A 95 1.944 -19.366 -7.021 1.00 74.24 C ATOM 1507 NZ LYS A 95 1.582 -19.303 -8.464 1.00 42.13 N ATOM 0 H LYS A 95 2.876 -13.886 -6.375 1.00 11.12 H new ATOM 0 HA LYS A 95 2.292 -15.389 -3.903 1.00 4.33 H new ATOM 0 HB2 LYS A 95 4.099 -15.863 -6.298 1.00 50.55 H new ATOM 0 HB3 LYS A 95 4.254 -16.791 -4.819 1.00 50.55 H new ATOM 0 HG2 LYS A 95 1.881 -17.528 -5.051 1.00 53.53 H new ATOM 0 HG3 LYS A 95 1.760 -16.630 -6.551 1.00 53.53 H new ATOM 0 HD2 LYS A 95 3.515 -18.009 -7.574 1.00 35.03 H new ATOM 0 HD3 LYS A 95 3.791 -18.843 -6.057 1.00 35.03 H new ATOM 0 HE2 LYS A 95 2.289 -20.371 -6.777 1.00 74.24 H new ATOM 0 HE3 LYS A 95 1.058 -19.177 -6.416 1.00 74.24 H new ATOM 0 HZ1 LYS A 95 0.842 -20.005 -8.667 1.00 42.13 H new ATOM 0 HZ2 LYS A 95 1.229 -18.352 -8.692 1.00 42.13 H new ATOM 0 HZ3 LYS A 95 2.422 -19.508 -9.042 1.00 42.13 H new ATOM 1521 N ASP A 96 4.578 -13.198 -4.337 1.00 62.32 N ATOM 1522 CA ASP A 96 5.666 -12.461 -3.704 1.00 42.13 C ATOM 1523 C ASP A 96 5.996 -11.197 -4.491 1.00 0.02 C ATOM 1524 O ASP A 96 5.364 -10.901 -5.507 1.00 62.44 O ATOM 1525 CB ASP A 96 6.908 -13.344 -3.587 1.00 35.42 C ATOM 1526 CG ASP A 96 7.116 -14.217 -4.810 1.00 44.32 C ATOM 1527 OD1 ASP A 96 7.272 -13.661 -5.917 1.00 2.21 O ATOM 1528 OD2 ASP A 96 7.121 -15.457 -4.660 1.00 50.24 O ATOM 0 H ASP A 96 4.169 -12.733 -5.147 1.00 62.32 H new ATOM 0 HA ASP A 96 5.342 -12.170 -2.705 1.00 42.13 H new ATOM 0 HB2 ASP A 96 7.785 -12.714 -3.440 1.00 35.42 H new ATOM 0 HB3 ASP A 96 6.819 -13.976 -2.704 1.00 35.42 H new ATOM 1533 N THR A 97 6.990 -10.453 -4.017 1.00 50.33 N ATOM 1534 CA THR A 97 7.403 -9.219 -4.674 1.00 64.40 C ATOM 1535 C THR A 97 8.030 -9.505 -6.034 1.00 72.22 C ATOM 1536 O THR A 97 8.381 -8.586 -6.773 1.00 12.42 O ATOM 1537 CB THR A 97 8.408 -8.433 -3.813 1.00 54.04 C ATOM 1538 OG1 THR A 97 7.913 -8.303 -2.476 1.00 63.44 O ATOM 1539 CG2 THR A 97 8.663 -7.054 -4.401 1.00 3.51 C ATOM 0 H THR A 97 7.525 -10.684 -3.180 1.00 50.33 H new ATOM 0 HA THR A 97 6.505 -8.617 -4.810 1.00 64.40 H new ATOM 0 HB THR A 97 9.348 -8.984 -3.799 1.00 54.04 H new ATOM 0 HG1 THR A 97 8.626 -8.521 -1.840 1.00 63.44 H new ATOM 0 HG21 THR A 97 9.376 -6.518 -3.775 1.00 3.51 H new ATOM 0 HG22 THR A 97 9.069 -7.157 -5.407 1.00 3.51 H new ATOM 0 HG23 THR A 97 7.727 -6.497 -4.443 1.00 3.51 H new ATOM 1547 N LYS A 98 8.167 -10.785 -6.359 1.00 34.43 N ATOM 1548 CA LYS A 98 8.751 -11.194 -7.632 1.00 20.02 C ATOM 1549 C LYS A 98 7.666 -11.415 -8.682 1.00 44.14 C ATOM 1550 O LYS A 98 7.579 -10.676 -9.662 1.00 10.40 O ATOM 1551 CB LYS A 98 9.571 -12.474 -7.453 1.00 2.44 C ATOM 1552 CG LYS A 98 10.679 -12.634 -8.480 1.00 5.54 C ATOM 1553 CD LYS A 98 11.752 -11.570 -8.313 1.00 24.32 C ATOM 1554 CE LYS A 98 11.888 -10.714 -9.563 1.00 23.43 C ATOM 1555 NZ LYS A 98 12.957 -11.219 -10.467 1.00 34.14 N ATOM 0 H LYS A 98 7.882 -11.559 -5.759 1.00 34.43 H new ATOM 0 HA LYS A 98 9.408 -10.395 -7.976 1.00 20.02 H new ATOM 0 HB2 LYS A 98 10.009 -12.479 -6.455 1.00 2.44 H new ATOM 0 HB3 LYS A 98 8.904 -13.334 -7.513 1.00 2.44 H new ATOM 0 HG2 LYS A 98 11.127 -13.623 -8.382 1.00 5.54 H new ATOM 0 HG3 LYS A 98 10.258 -12.573 -9.484 1.00 5.54 H new ATOM 0 HD2 LYS A 98 11.507 -10.936 -7.461 1.00 24.32 H new ATOM 0 HD3 LYS A 98 12.707 -12.047 -8.091 1.00 24.32 H new ATOM 0 HE2 LYS A 98 10.938 -10.698 -10.097 1.00 23.43 H new ATOM 0 HE3 LYS A 98 12.110 -9.686 -9.277 1.00 23.43 H new ATOM 0 HZ1 LYS A 98 13.018 -10.609 -11.307 1.00 34.14 H new ATOM 0 HZ2 LYS A 98 13.868 -11.211 -9.966 1.00 34.14 H new ATOM 0 HZ3 LYS A 98 12.733 -12.191 -10.761 1.00 34.14 H new ATOM 1569 N GLU A 99 6.842 -12.435 -8.468 1.00 24.04 N ATOM 1570 CA GLU A 99 5.762 -12.751 -9.396 1.00 21.44 C ATOM 1571 C GLU A 99 4.831 -11.555 -9.576 1.00 34.42 C ATOM 1572 O GLU A 99 4.101 -11.466 -10.563 1.00 31.45 O ATOM 1573 CB GLU A 99 4.968 -13.960 -8.898 1.00 44.34 C ATOM 1574 CG GLU A 99 4.809 -15.056 -9.937 1.00 63.04 C ATOM 1575 CD GLU A 99 5.733 -16.232 -9.690 1.00 33.23 C ATOM 1576 OE1 GLU A 99 6.902 -16.001 -9.315 1.00 4.31 O ATOM 1577 OE2 GLU A 99 5.289 -17.385 -9.873 1.00 3.13 O ATOM 0 H GLU A 99 6.901 -13.056 -7.661 1.00 24.04 H new ATOM 0 HA GLU A 99 6.207 -12.991 -10.362 1.00 21.44 H new ATOM 0 HB2 GLU A 99 5.465 -14.373 -8.020 1.00 44.34 H new ATOM 0 HB3 GLU A 99 3.980 -13.628 -8.579 1.00 44.34 H new ATOM 0 HG2 GLU A 99 3.776 -15.404 -9.937 1.00 63.04 H new ATOM 0 HG3 GLU A 99 5.007 -14.645 -10.927 1.00 63.04 H new ATOM 1584 N ALA A 100 4.863 -10.638 -8.615 1.00 31.13 N ATOM 1585 CA ALA A 100 4.024 -9.448 -8.668 1.00 12.41 C ATOM 1586 C ALA A 100 4.612 -8.404 -9.612 1.00 51.41 C ATOM 1587 O ALA A 100 3.910 -7.861 -10.467 1.00 34.42 O ATOM 1588 CB ALA A 100 3.851 -8.863 -7.274 1.00 41.20 C ATOM 0 H ALA A 100 5.461 -10.697 -7.791 1.00 31.13 H new ATOM 0 HA ALA A 100 3.046 -9.739 -9.053 1.00 12.41 H new ATOM 0 HB1 ALA A 100 3.222 -7.974 -7.328 1.00 41.20 H new ATOM 0 HB2 ALA A 100 3.381 -9.602 -6.625 1.00 41.20 H new ATOM 0 HB3 ALA A 100 4.826 -8.593 -6.869 1.00 41.20 H new ATOM 1594 N LEU A 101 5.900 -8.125 -9.451 1.00 75.20 N ATOM 1595 CA LEU A 101 6.582 -7.145 -10.288 1.00 11.13 C ATOM 1596 C LEU A 101 6.483 -7.526 -11.762 1.00 3.43 C ATOM 1597 O LEU A 101 6.226 -6.677 -12.616 1.00 32.43 O ATOM 1598 CB LEU A 101 8.051 -7.028 -9.879 1.00 61.15 C ATOM 1599 CG LEU A 101 8.632 -5.613 -9.858 1.00 42.14 C ATOM 1600 CD1 LEU A 101 8.342 -4.898 -11.168 1.00 60.11 C ATOM 1601 CD2 LEU A 101 8.072 -4.825 -8.683 1.00 65.12 C ATOM 0 H LEU A 101 6.494 -8.564 -8.748 1.00 75.20 H new ATOM 0 HA LEU A 101 6.094 -6.181 -10.146 1.00 11.13 H new ATOM 0 HB2 LEU A 101 8.166 -7.461 -8.885 1.00 61.15 H new ATOM 0 HB3 LEU A 101 8.647 -7.634 -10.562 1.00 61.15 H new ATOM 0 HG LEU A 101 9.713 -5.686 -9.739 1.00 42.14 H new ATOM 0 HD11 LEU A 101 8.763 -3.893 -11.135 1.00 60.11 H new ATOM 0 HD12 LEU A 101 8.791 -5.452 -11.992 1.00 60.11 H new ATOM 0 HD13 LEU A 101 7.264 -4.835 -11.317 1.00 60.11 H new ATOM 0 HD21 LEU A 101 8.496 -3.821 -8.683 1.00 65.12 H new ATOM 0 HD22 LEU A 101 6.987 -4.761 -8.772 1.00 65.12 H new ATOM 0 HD23 LEU A 101 8.331 -5.328 -7.751 1.00 65.12 H new ATOM 1613 N ASP A 102 6.685 -8.806 -12.053 1.00 75.02 N ATOM 1614 CA ASP A 102 6.616 -9.300 -13.423 1.00 25.20 C ATOM 1615 C ASP A 102 5.274 -8.950 -14.059 1.00 64.04 C ATOM 1616 O ASP A 102 5.212 -8.532 -15.215 1.00 62.21 O ATOM 1617 CB ASP A 102 6.830 -10.814 -13.454 1.00 61.23 C ATOM 1618 CG ASP A 102 7.698 -11.253 -14.615 1.00 12.44 C ATOM 1619 OD1 ASP A 102 8.938 -11.152 -14.501 1.00 41.40 O ATOM 1620 OD2 ASP A 102 7.140 -11.696 -15.641 1.00 44.13 O ATOM 0 H ASP A 102 6.898 -9.521 -11.358 1.00 75.02 H new ATOM 0 HA ASP A 102 7.407 -8.818 -13.997 1.00 25.20 H new ATOM 0 HB2 ASP A 102 7.291 -11.132 -12.519 1.00 61.23 H new ATOM 0 HB3 ASP A 102 5.863 -11.313 -13.518 1.00 61.23 H new