USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 870 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 46 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.626 K(o=-0.63,f=-3.3!) USER MOD Single : A 16 SER OG : rot 40:sc= -1.46 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 52:sc= 0.335 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.0564 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.12) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 18:sc= 0.571 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00551) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.54) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= -0.235 (180deg=-1.03) USER MOD Single : A 84 SER OG : rot -81:sc= 0.447 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.955 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot -118:sc= 0.953 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.03 F(o=-2.2,f=-1) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0925 K(o=-0.092,f=-1.8!) USER MOD Single : A 107 GLN : amide:sc= -0.558 K(o=-0.56,f=-1.1) USER MOD Single : A 108 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-0.92) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -25:sc= 0.906 USER MOD Single : A 114 TYR OH : rot -30:sc= -1.62 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N GLU A 12 8.944 25.939 1.580 1.00 0.00 N ATOM 110 CA GLU A 12 8.993 25.109 0.382 1.00 0.00 C ATOM 111 C GLU A 12 7.727 24.269 0.249 1.00 0.00 C ATOM 112 O GLU A 12 6.888 24.244 1.150 1.00 0.00 O ATOM 113 CB GLU A 12 10.222 24.198 0.417 1.00 0.00 C ATOM 114 CG GLU A 12 11.489 24.864 -0.091 1.00 0.00 C ATOM 115 CD GLU A 12 11.659 24.728 -1.592 1.00 0.00 C ATOM 116 OE1 GLU A 12 11.121 23.757 -2.164 1.00 0.00 O ATOM 117 OE2 GLU A 12 12.331 25.592 -2.193 1.00 0.00 O ATOM 0 HA GLU A 12 9.062 25.768 -0.483 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.385 23.861 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.023 23.310 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.471 25.921 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.352 24.425 0.410 1.00 0.00 H new ATOM 124 N ARG A 13 7.595 23.583 -0.882 1.00 0.00 N ATOM 125 CA ARG A 13 6.430 22.743 -1.134 1.00 0.00 C ATOM 126 C ARG A 13 6.062 21.936 0.107 1.00 0.00 C ATOM 127 O ARG A 13 6.918 21.635 0.938 1.00 0.00 O ATOM 128 CB ARG A 13 6.700 21.800 -2.308 1.00 0.00 C ATOM 129 CG ARG A 13 6.688 22.492 -3.661 1.00 0.00 C ATOM 130 CD ARG A 13 7.454 21.691 -4.703 1.00 0.00 C ATOM 131 NE ARG A 13 7.927 22.532 -5.800 1.00 0.00 N ATOM 132 CZ ARG A 13 8.500 22.052 -6.898 1.00 0.00 C ATOM 133 NH1 ARG A 13 8.668 20.746 -7.046 1.00 0.00 N ATOM 134 NH2 ARG A 13 8.905 22.881 -7.852 1.00 0.00 N ATOM 0 H ARG A 13 8.280 23.592 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 13 5.592 23.393 -1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.668 21.321 -2.163 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.950 21.009 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.658 22.630 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.129 23.485 -3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.304 21.200 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.812 20.905 -5.100 1.00 0.00 H new ATOM 0 HE ARG A 13 7.811 23.542 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.357 20.106 -6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.108 20.381 -7.890 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.776 23.887 -7.742 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.345 22.512 -8.695 1.00 0.00 H new ATOM 148 N GLN A 14 4.784 21.590 0.225 1.00 0.00 N ATOM 149 CA GLN A 14 4.304 20.819 1.365 1.00 0.00 C ATOM 150 C GLN A 14 3.466 19.631 0.905 1.00 0.00 C ATOM 151 O GLN A 14 2.240 19.720 0.817 1.00 0.00 O ATOM 152 CB GLN A 14 3.481 21.709 2.299 1.00 0.00 C ATOM 153 CG GLN A 14 2.526 22.639 1.568 1.00 0.00 C ATOM 154 CD GLN A 14 3.160 23.972 1.224 1.00 0.00 C ATOM 155 OE1 GLN A 14 4.267 24.279 1.667 1.00 0.00 O ATOM 156 NE2 GLN A 14 2.459 24.773 0.429 1.00 0.00 N ATOM 0 H GLN A 14 4.063 21.831 -0.455 1.00 0.00 H new ATOM 0 HA GLN A 14 5.171 20.440 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.910 21.077 2.980 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.159 22.305 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.184 22.156 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.645 22.809 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.545 24.478 0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.835 25.683 0.163 1.00 0.00 H new ATOM 165 N LEU A 15 4.133 18.521 0.612 1.00 0.00 N ATOM 166 CA LEU A 15 3.449 17.314 0.160 1.00 0.00 C ATOM 167 C LEU A 15 2.320 16.938 1.114 1.00 0.00 C ATOM 168 O LEU A 15 2.479 16.993 2.333 1.00 0.00 O ATOM 169 CB LEU A 15 4.441 16.155 0.045 1.00 0.00 C ATOM 170 CG LEU A 15 3.846 14.750 0.145 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.875 14.498 -0.998 1.00 0.00 C ATOM 172 CD2 LEU A 15 4.950 13.703 0.150 1.00 0.00 C ATOM 0 H LEU A 15 5.147 18.431 0.679 1.00 0.00 H new ATOM 0 HA LEU A 15 3.019 17.516 -0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.960 16.241 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.192 16.267 0.827 1.00 0.00 H new ATOM 0 HG LEU A 15 3.297 14.675 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.462 13.493 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.066 15.228 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.400 14.592 -1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.508 12.709 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.527 13.778 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.607 13.871 1.004 1.00 0.00 H new ATOM 184 N SER A 16 1.179 16.555 0.550 1.00 0.00 N ATOM 185 CA SER A 16 0.021 16.171 1.350 1.00 0.00 C ATOM 186 C SER A 16 -0.485 14.790 0.946 1.00 0.00 C ATOM 187 O SER A 16 -0.970 14.579 -0.165 1.00 0.00 O ATOM 188 CB SER A 16 -1.098 17.203 1.194 1.00 0.00 C ATOM 189 OG SER A 16 -2.206 16.881 2.017 1.00 0.00 O ATOM 0 H SER A 16 1.031 16.502 -0.458 1.00 0.00 H new ATOM 0 HA SER A 16 0.329 16.134 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.723 18.193 1.454 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.415 17.246 0.152 1.00 0.00 H new ATOM 0 HG SER A 16 -1.886 16.553 2.883 1.00 0.00 H new ATOM 195 N PRO A 17 -0.369 13.825 1.870 1.00 0.00 N ATOM 196 CA PRO A 17 -0.810 12.447 1.635 1.00 0.00 C ATOM 197 C PRO A 17 -2.328 12.328 1.559 1.00 0.00 C ATOM 198 O PRO A 17 -2.867 11.739 0.623 1.00 0.00 O ATOM 199 CB PRO A 17 -0.275 11.690 2.853 1.00 0.00 C ATOM 200 CG PRO A 17 -0.157 12.724 3.920 1.00 0.00 C ATOM 201 CD PRO A 17 0.199 14.005 3.217 1.00 0.00 C ATOM 0 HA PRO A 17 -0.447 12.061 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.952 10.890 3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.689 11.229 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.093 12.827 4.469 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.609 12.451 4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.229 14.872 3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.278 14.157 3.181 1.00 0.00 H new ATOM 209 N GLU A 18 -3.012 12.892 2.550 1.00 0.00 N ATOM 210 CA GLU A 18 -4.468 12.848 2.594 1.00 0.00 C ATOM 211 C GLU A 18 -5.065 13.198 1.234 1.00 0.00 C ATOM 212 O GLU A 18 -6.013 12.560 0.776 1.00 0.00 O ATOM 213 CB GLU A 18 -4.998 13.812 3.659 1.00 0.00 C ATOM 214 CG GLU A 18 -4.633 15.264 3.400 1.00 0.00 C ATOM 215 CD GLU A 18 -4.707 16.116 4.652 1.00 0.00 C ATOM 216 OE1 GLU A 18 -4.088 15.735 5.667 1.00 0.00 O ATOM 217 OE2 GLU A 18 -5.385 17.165 4.616 1.00 0.00 O ATOM 0 H GLU A 18 -2.581 13.384 3.332 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.767 11.832 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.083 13.722 3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.607 13.516 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.624 15.314 2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.304 15.674 2.645 1.00 0.00 H new ATOM 224 N LYS A 19 -4.502 14.217 0.593 1.00 0.00 N ATOM 225 CA LYS A 19 -4.976 14.653 -0.715 1.00 0.00 C ATOM 226 C LYS A 19 -4.598 13.644 -1.795 1.00 0.00 C ATOM 227 O LYS A 19 -5.365 13.402 -2.727 1.00 0.00 O ATOM 228 CB LYS A 19 -4.394 16.026 -1.059 1.00 0.00 C ATOM 229 CG LYS A 19 -4.768 17.112 -0.065 1.00 0.00 C ATOM 230 CD LYS A 19 -4.967 18.452 -0.751 1.00 0.00 C ATOM 231 CE LYS A 19 -6.338 18.546 -1.404 1.00 0.00 C ATOM 232 NZ LYS A 19 -7.348 19.148 -0.490 1.00 0.00 N ATOM 0 H LYS A 19 -3.717 14.756 0.958 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.063 14.725 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.308 15.949 -1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.738 16.319 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.683 16.830 0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.986 17.201 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.854 19.255 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.193 18.594 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.267 19.145 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.667 17.551 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.268 19.194 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.434 18.563 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.048 20.108 -0.224 1.00 0.00 H new ATOM 246 N SER A 20 -3.412 13.058 -1.662 1.00 0.00 N ATOM 247 CA SER A 20 -2.932 12.077 -2.628 1.00 0.00 C ATOM 248 C SER A 20 -4.037 11.091 -2.996 1.00 0.00 C ATOM 249 O SER A 20 -4.861 10.725 -2.158 1.00 0.00 O ATOM 250 CB SER A 20 -1.727 11.323 -2.064 1.00 0.00 C ATOM 251 OG SER A 20 -0.679 12.215 -1.726 1.00 0.00 O ATOM 0 H SER A 20 -2.766 13.246 -0.895 1.00 0.00 H new ATOM 0 HA SER A 20 -2.629 12.609 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.028 10.759 -1.181 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.371 10.600 -2.798 1.00 0.00 H new ATOM 0 HG SER A 20 -1.027 12.924 -1.145 1.00 0.00 H new ATOM 257 N GLU A 21 -4.047 10.665 -4.255 1.00 0.00 N ATOM 258 CA GLU A 21 -5.050 9.722 -4.734 1.00 0.00 C ATOM 259 C GLU A 21 -4.403 8.406 -5.156 1.00 0.00 C ATOM 260 O GLU A 21 -3.585 8.371 -6.075 1.00 0.00 O ATOM 261 CB GLU A 21 -5.825 10.321 -5.910 1.00 0.00 C ATOM 262 CG GLU A 21 -6.381 11.708 -5.629 1.00 0.00 C ATOM 263 CD GLU A 21 -7.396 12.150 -6.666 1.00 0.00 C ATOM 264 OE1 GLU A 21 -8.596 11.858 -6.484 1.00 0.00 O ATOM 265 OE2 GLU A 21 -6.989 12.789 -7.659 1.00 0.00 O ATOM 0 H GLU A 21 -3.372 10.958 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.742 9.521 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.169 10.371 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.648 9.655 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.847 11.716 -4.644 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.561 12.425 -5.600 1.00 0.00 H new ATOM 272 N ILE A 22 -4.776 7.326 -4.476 1.00 0.00 N ATOM 273 CA ILE A 22 -4.233 6.008 -4.780 1.00 0.00 C ATOM 274 C ILE A 22 -5.214 5.187 -5.610 1.00 0.00 C ATOM 275 O ILE A 22 -6.205 4.674 -5.089 1.00 0.00 O ATOM 276 CB ILE A 22 -3.888 5.232 -3.495 1.00 0.00 C ATOM 277 CG1 ILE A 22 -2.825 5.981 -2.690 1.00 0.00 C ATOM 278 CG2 ILE A 22 -3.411 3.828 -3.837 1.00 0.00 C ATOM 279 CD1 ILE A 22 -2.520 5.344 -1.352 1.00 0.00 C ATOM 0 H ILE A 22 -5.451 7.338 -3.712 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.320 6.167 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.787 5.151 -2.884 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.907 6.034 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.159 7.006 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.171 3.292 -2.919 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.198 3.297 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.522 3.889 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.758 5.928 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.427 5.316 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.156 4.329 -1.507 1.00 0.00 H new ATOM 291 N TRP A 23 -4.931 5.066 -6.901 1.00 0.00 N ATOM 292 CA TRP A 23 -5.788 4.305 -7.803 1.00 0.00 C ATOM 293 C TRP A 23 -5.042 3.108 -8.383 1.00 0.00 C ATOM 294 O TRP A 23 -3.820 3.137 -8.527 1.00 0.00 O ATOM 295 CB TRP A 23 -6.296 5.201 -8.934 1.00 0.00 C ATOM 296 CG TRP A 23 -5.238 5.551 -9.936 1.00 0.00 C ATOM 297 CD1 TRP A 23 -4.907 4.847 -11.058 1.00 0.00 C ATOM 298 CD2 TRP A 23 -4.371 6.690 -9.904 1.00 0.00 C ATOM 299 NE1 TRP A 23 -3.887 5.480 -11.727 1.00 0.00 N ATOM 300 CE2 TRP A 23 -3.541 6.614 -11.040 1.00 0.00 C ATOM 301 CE3 TRP A 23 -4.218 7.769 -9.029 1.00 0.00 C ATOM 302 CZ2 TRP A 23 -2.572 7.574 -11.319 1.00 0.00 C ATOM 303 CZ3 TRP A 23 -3.255 8.721 -9.308 1.00 0.00 C ATOM 304 CH2 TRP A 23 -2.443 8.619 -10.445 1.00 0.00 C ATOM 0 H TRP A 23 -4.115 5.485 -7.347 1.00 0.00 H new ATOM 0 HA TRP A 23 -6.639 3.936 -7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -7.118 4.699 -9.445 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -6.700 6.119 -8.507 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.378 3.928 -11.373 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.457 5.158 -12.594 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.841 7.858 -8.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.944 7.497 -12.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -3.126 9.558 -8.638 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.701 9.380 -10.635 1.00 0.00 H new ATOM 315 N GLY A 24 -5.785 2.056 -8.714 1.00 0.00 N ATOM 316 CA GLY A 24 -5.175 0.864 -9.274 1.00 0.00 C ATOM 317 C GLY A 24 -6.141 -0.302 -9.347 1.00 0.00 C ATOM 318 O GLY A 24 -7.066 -0.421 -8.542 1.00 0.00 O ATOM 0 H GLY A 24 -6.798 2.008 -8.604 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.802 1.086 -10.274 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.314 0.581 -8.668 1.00 0.00 H new ATOM 322 N PRO A 25 -5.933 -1.188 -10.332 1.00 0.00 N ATOM 323 CA PRO A 25 -6.783 -2.365 -10.531 1.00 0.00 C ATOM 324 C PRO A 25 -6.604 -3.402 -9.427 1.00 0.00 C ATOM 325 O PRO A 25 -7.463 -4.259 -9.222 1.00 0.00 O ATOM 326 CB PRO A 25 -6.305 -2.925 -11.873 1.00 0.00 C ATOM 327 CG PRO A 25 -4.899 -2.451 -12.002 1.00 0.00 C ATOM 328 CD PRO A 25 -4.850 -1.109 -11.327 1.00 0.00 C ATOM 0 HA PRO A 25 -7.843 -2.110 -10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.359 -4.014 -11.889 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.922 -2.563 -12.695 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.207 -3.150 -11.532 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.609 -2.372 -13.050 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.883 -0.931 -10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.013 -0.297 -12.035 1.00 0.00 H new ATOM 336 N GLY A 26 -5.483 -3.318 -8.718 1.00 0.00 N ATOM 337 CA GLY A 26 -5.212 -4.256 -7.644 1.00 0.00 C ATOM 338 C GLY A 26 -6.195 -4.122 -6.497 1.00 0.00 C ATOM 339 O GLY A 26 -6.146 -4.890 -5.535 1.00 0.00 O ATOM 0 H GLY A 26 -4.757 -2.617 -8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.251 -5.273 -8.035 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.200 -4.096 -7.272 1.00 0.00 H new ATOM 343 N LEU A 27 -7.089 -3.145 -6.597 1.00 0.00 N ATOM 344 CA LEU A 27 -8.087 -2.912 -5.559 1.00 0.00 C ATOM 345 C LEU A 27 -9.486 -2.818 -6.159 1.00 0.00 C ATOM 346 O LEU A 27 -10.238 -1.889 -5.867 1.00 0.00 O ATOM 347 CB LEU A 27 -7.762 -1.630 -4.790 1.00 0.00 C ATOM 348 CG LEU A 27 -6.317 -1.480 -4.313 1.00 0.00 C ATOM 349 CD1 LEU A 27 -5.952 -0.011 -4.168 1.00 0.00 C ATOM 350 CD2 LEU A 27 -6.112 -2.216 -2.997 1.00 0.00 C ATOM 0 H LEU A 27 -7.143 -2.501 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.063 -3.757 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.004 -0.778 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.418 -1.576 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.659 -1.923 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.920 0.076 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.059 0.487 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.614 0.458 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.078 -2.099 -2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.779 -1.802 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.331 -3.275 -3.134 1.00 0.00 H new ATOM 362 N LYS A 28 -9.829 -3.788 -7.000 1.00 0.00 N ATOM 363 CA LYS A 28 -11.139 -3.818 -7.640 1.00 0.00 C ATOM 364 C LYS A 28 -11.964 -4.998 -7.136 1.00 0.00 C ATOM 365 O LYS A 28 -12.875 -4.829 -6.327 1.00 0.00 O ATOM 366 CB LYS A 28 -10.985 -3.903 -9.160 1.00 0.00 C ATOM 367 CG LYS A 28 -10.721 -2.560 -9.820 1.00 0.00 C ATOM 368 CD LYS A 28 -11.273 -2.517 -11.235 1.00 0.00 C ATOM 369 CE LYS A 28 -10.407 -3.318 -12.196 1.00 0.00 C ATOM 370 NZ LYS A 28 -10.662 -2.945 -13.615 1.00 0.00 N ATOM 0 H LYS A 28 -9.218 -4.564 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.661 -2.896 -7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.166 -4.582 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.891 -4.336 -9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.175 -1.766 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.648 -2.368 -9.841 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.289 -2.913 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.332 -1.482 -11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.356 -3.153 -11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.601 -4.382 -12.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.053 -3.513 -14.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.659 -3.126 -13.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.452 -1.936 -13.752 1.00 0.00 H new ATOM 384 N ALA A 29 -11.636 -6.192 -7.619 1.00 0.00 N ATOM 385 CA ALA A 29 -12.345 -7.400 -7.214 1.00 0.00 C ATOM 386 C ALA A 29 -11.713 -8.641 -7.835 1.00 0.00 C ATOM 387 O ALA A 29 -11.472 -8.689 -9.042 1.00 0.00 O ATOM 388 CB ALA A 29 -13.814 -7.304 -7.598 1.00 0.00 C ATOM 0 H ALA A 29 -10.885 -6.349 -8.291 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.270 -7.490 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.331 -8.213 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.264 -6.444 -7.102 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.901 -7.186 -8.678 1.00 0.00 H new ATOM 394 N ASP A 30 -11.447 -9.643 -7.004 1.00 0.00 N ATOM 395 CA ASP A 30 -10.844 -10.885 -7.473 1.00 0.00 C ATOM 396 C ASP A 30 -9.889 -10.622 -8.633 1.00 0.00 C ATOM 397 O ASP A 30 -10.022 -11.210 -9.706 1.00 0.00 O ATOM 398 CB ASP A 30 -11.928 -11.874 -7.903 1.00 0.00 C ATOM 399 CG ASP A 30 -12.848 -11.299 -8.963 1.00 0.00 C ATOM 400 OD1 ASP A 30 -12.425 -11.219 -10.135 1.00 0.00 O ATOM 401 OD2 ASP A 30 -13.990 -10.931 -8.619 1.00 0.00 O ATOM 0 H ASP A 30 -11.639 -9.619 -6.003 1.00 0.00 H new ATOM 0 HA ASP A 30 -10.276 -11.317 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.458 -12.780 -8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.517 -12.164 -7.033 1.00 0.00 H new ATOM 406 N VAL A 31 -8.926 -9.733 -8.410 1.00 0.00 N ATOM 407 CA VAL A 31 -7.949 -9.391 -9.437 1.00 0.00 C ATOM 408 C VAL A 31 -7.314 -10.644 -10.030 1.00 0.00 C ATOM 409 O VAL A 31 -7.689 -11.765 -9.687 1.00 0.00 O ATOM 410 CB VAL A 31 -6.839 -8.483 -8.875 1.00 0.00 C ATOM 411 CG1 VAL A 31 -7.424 -7.172 -8.373 1.00 0.00 C ATOM 412 CG2 VAL A 31 -6.078 -9.196 -7.767 1.00 0.00 C ATOM 0 H VAL A 31 -8.802 -9.237 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.486 -8.854 -10.219 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.138 -8.256 -9.678 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.625 -6.544 -7.980 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.920 -6.656 -9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.148 -7.375 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.298 -8.540 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.765 -9.455 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.625 -10.105 -8.163 1.00 0.00 H new ATOM 422 N VAL A 32 -6.350 -10.445 -10.924 1.00 0.00 N ATOM 423 CA VAL A 32 -5.661 -11.559 -11.565 1.00 0.00 C ATOM 424 C VAL A 32 -5.380 -12.678 -10.568 1.00 0.00 C ATOM 425 O VAL A 32 -5.417 -12.468 -9.355 1.00 0.00 O ATOM 426 CB VAL A 32 -4.333 -11.107 -12.201 1.00 0.00 C ATOM 427 CG1 VAL A 32 -4.580 -10.022 -13.238 1.00 0.00 C ATOM 428 CG2 VAL A 32 -3.368 -10.622 -11.130 1.00 0.00 C ATOM 0 H VAL A 32 -6.029 -9.523 -11.220 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.322 -11.931 -12.348 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.882 -11.962 -12.705 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.631 -9.715 -13.677 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.233 -10.408 -14.020 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.054 -9.164 -12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.435 -10.306 -11.597 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.810 -9.780 -10.597 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.167 -11.431 -10.428 1.00 0.00 H new ATOM 438 N LEU A 33 -5.097 -13.868 -11.087 1.00 0.00 N ATOM 439 CA LEU A 33 -4.808 -15.022 -10.243 1.00 0.00 C ATOM 440 C LEU A 33 -3.891 -14.635 -9.087 1.00 0.00 C ATOM 441 O LEU A 33 -4.240 -14.766 -7.914 1.00 0.00 O ATOM 442 CB LEU A 33 -4.163 -16.135 -11.070 1.00 0.00 C ATOM 443 CG LEU A 33 -5.114 -17.199 -11.621 1.00 0.00 C ATOM 444 CD1 LEU A 33 -5.684 -16.762 -12.962 1.00 0.00 C ATOM 445 CD2 LEU A 33 -4.399 -18.536 -11.753 1.00 0.00 C ATOM 0 H LEU A 33 -5.062 -14.059 -12.088 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.750 -15.384 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.636 -15.679 -11.908 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.413 -16.631 -10.453 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.940 -17.319 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.358 -17.531 -13.339 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.232 -15.828 -12.837 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.870 -16.613 -13.672 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.091 -19.281 -12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.554 -18.431 -12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.040 -18.855 -10.774 1.00 0.00 H new ATOM 457 N PRO A 34 -2.689 -14.143 -9.424 1.00 0.00 N ATOM 458 CA PRO A 34 -1.698 -13.724 -8.429 1.00 0.00 C ATOM 459 C PRO A 34 -2.117 -12.458 -7.691 1.00 0.00 C ATOM 460 O PRO A 34 -2.791 -12.522 -6.663 1.00 0.00 O ATOM 461 CB PRO A 34 -0.443 -13.464 -9.266 1.00 0.00 C ATOM 462 CG PRO A 34 -0.955 -13.142 -10.627 1.00 0.00 C ATOM 463 CD PRO A 34 -2.206 -13.959 -10.803 1.00 0.00 C ATOM 0 HA PRO A 34 -1.560 -14.474 -7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.141 -12.639 -8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.208 -14.338 -9.285 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.168 -12.077 -10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.217 -13.389 -11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.940 -13.442 -11.421 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.998 -14.913 -11.287 1.00 0.00 H new ATOM 471 N ALA A 35 -1.715 -11.308 -8.222 1.00 0.00 N ATOM 472 CA ALA A 35 -2.051 -10.026 -7.614 1.00 0.00 C ATOM 473 C ALA A 35 -1.630 -8.866 -8.510 1.00 0.00 C ATOM 474 O ALA A 35 -0.621 -8.945 -9.210 1.00 0.00 O ATOM 475 CB ALA A 35 -1.397 -9.903 -6.245 1.00 0.00 C ATOM 0 H ALA A 35 -1.156 -11.238 -9.072 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.133 -9.982 -7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.656 -8.941 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.751 -10.707 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.314 -9.973 -6.351 1.00 0.00 H new ATOM 481 N ARG A 36 -2.410 -7.791 -8.483 1.00 0.00 N ATOM 482 CA ARG A 36 -2.119 -6.615 -9.295 1.00 0.00 C ATOM 483 C ARG A 36 -1.565 -5.484 -8.434 1.00 0.00 C ATOM 484 O ARG A 36 -1.927 -5.345 -7.265 1.00 0.00 O ATOM 485 CB ARG A 36 -3.380 -6.146 -10.022 1.00 0.00 C ATOM 486 CG ARG A 36 -3.627 -6.865 -11.339 1.00 0.00 C ATOM 487 CD ARG A 36 -2.487 -6.639 -12.319 1.00 0.00 C ATOM 488 NE ARG A 36 -2.083 -5.236 -12.375 1.00 0.00 N ATOM 489 CZ ARG A 36 -0.926 -4.824 -12.882 1.00 0.00 C ATOM 490 NH1 ARG A 36 -0.064 -5.703 -13.375 1.00 0.00 N ATOM 491 NH2 ARG A 36 -0.630 -3.531 -12.897 1.00 0.00 N ATOM 0 H ARG A 36 -3.248 -7.710 -7.908 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.365 -6.891 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.241 -6.294 -9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.303 -5.075 -10.211 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.744 -7.933 -11.155 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.561 -6.513 -11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.633 -7.251 -12.029 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.792 -6.968 -13.312 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.724 -4.534 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.289 -6.698 -13.366 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.824 -5.384 -13.764 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.291 -2.852 -12.519 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.258 -3.216 -13.286 1.00 0.00 H new ATOM 505 N TYR A 37 -0.685 -4.679 -9.019 1.00 0.00 N ATOM 506 CA TYR A 37 -0.079 -3.561 -8.304 1.00 0.00 C ATOM 507 C TYR A 37 -0.705 -2.238 -8.732 1.00 0.00 C ATOM 508 O TYR A 37 -1.269 -2.127 -9.821 1.00 0.00 O ATOM 509 CB TYR A 37 1.430 -3.528 -8.553 1.00 0.00 C ATOM 510 CG TYR A 37 1.814 -3.817 -9.987 1.00 0.00 C ATOM 511 CD1 TYR A 37 2.042 -5.118 -10.417 1.00 0.00 C ATOM 512 CD2 TYR A 37 1.947 -2.788 -10.911 1.00 0.00 C ATOM 513 CE1 TYR A 37 2.393 -5.386 -11.726 1.00 0.00 C ATOM 514 CE2 TYR A 37 2.297 -3.047 -12.223 1.00 0.00 C ATOM 515 CZ TYR A 37 2.519 -4.348 -12.625 1.00 0.00 C ATOM 516 OH TYR A 37 2.868 -4.611 -13.930 1.00 0.00 O ATOM 0 H TYR A 37 -0.375 -4.779 -9.986 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.262 -3.701 -7.239 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.814 -2.547 -8.273 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.913 -4.257 -7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.943 -5.934 -9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.774 -1.769 -10.599 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.568 -6.403 -12.044 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.396 -2.236 -12.929 1.00 0.00 H new ATOM 0 HH TYR A 37 2.913 -3.771 -14.432 1.00 0.00 H new ATOM 526 N PHE A 38 -0.602 -1.235 -7.865 1.00 0.00 N ATOM 527 CA PHE A 38 -1.158 0.082 -8.151 1.00 0.00 C ATOM 528 C PHE A 38 -0.081 1.159 -8.059 1.00 0.00 C ATOM 529 O PHE A 38 1.030 0.903 -7.594 1.00 0.00 O ATOM 530 CB PHE A 38 -2.297 0.400 -7.180 1.00 0.00 C ATOM 531 CG PHE A 38 -1.867 0.433 -5.742 1.00 0.00 C ATOM 532 CD1 PHE A 38 -1.872 -0.723 -4.977 1.00 0.00 C ATOM 533 CD2 PHE A 38 -1.457 1.619 -5.154 1.00 0.00 C ATOM 534 CE1 PHE A 38 -1.476 -0.696 -3.653 1.00 0.00 C ATOM 535 CE2 PHE A 38 -1.060 1.651 -3.830 1.00 0.00 C ATOM 536 CZ PHE A 38 -1.071 0.492 -3.079 1.00 0.00 C ATOM 0 H PHE A 38 -0.139 -1.310 -6.959 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.549 0.070 -9.168 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.730 1.365 -7.444 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.084 -0.345 -7.299 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.189 -1.655 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.447 2.528 -5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.483 -1.604 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.742 2.581 -3.383 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.763 0.515 -2.044 1.00 0.00 H new ATOM 546 N TYR A 39 -0.417 2.364 -8.506 1.00 0.00 N ATOM 547 CA TYR A 39 0.521 3.479 -8.477 1.00 0.00 C ATOM 548 C TYR A 39 0.196 4.436 -7.334 1.00 0.00 C ATOM 549 O TYR A 39 -0.955 4.544 -6.910 1.00 0.00 O ATOM 550 CB TYR A 39 0.494 4.230 -9.809 1.00 0.00 C ATOM 551 CG TYR A 39 0.503 3.321 -11.017 1.00 0.00 C ATOM 552 CD1 TYR A 39 -0.684 2.859 -11.572 1.00 0.00 C ATOM 553 CD2 TYR A 39 1.698 2.923 -11.603 1.00 0.00 C ATOM 554 CE1 TYR A 39 -0.681 2.028 -12.676 1.00 0.00 C ATOM 555 CE2 TYR A 39 1.711 2.093 -12.707 1.00 0.00 C ATOM 556 CZ TYR A 39 0.519 1.648 -13.240 1.00 0.00 C ATOM 557 OH TYR A 39 0.528 0.820 -14.339 1.00 0.00 O ATOM 0 H TYR A 39 -1.333 2.593 -8.893 1.00 0.00 H new ATOM 0 HA TYR A 39 1.520 3.075 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.396 4.858 -9.844 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.356 4.895 -9.859 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.625 3.155 -11.133 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.633 3.269 -11.188 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.613 1.678 -13.095 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.649 1.794 -13.151 1.00 0.00 H new ATOM 0 HH TYR A 39 1.453 0.650 -14.613 1.00 0.00 H new ATOM 567 N ILE A 40 1.217 5.129 -6.842 1.00 0.00 N ATOM 568 CA ILE A 40 1.040 6.078 -5.750 1.00 0.00 C ATOM 569 C ILE A 40 1.415 7.491 -6.184 1.00 0.00 C ATOM 570 O ILE A 40 2.594 7.826 -6.290 1.00 0.00 O ATOM 571 CB ILE A 40 1.886 5.689 -4.523 1.00 0.00 C ATOM 572 CG1 ILE A 40 1.442 4.329 -3.981 1.00 0.00 C ATOM 573 CG2 ILE A 40 1.779 6.757 -3.445 1.00 0.00 C ATOM 574 CD1 ILE A 40 2.475 3.663 -3.100 1.00 0.00 C ATOM 0 H ILE A 40 2.175 5.051 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.015 6.052 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 40 2.930 5.614 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.520 4.457 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.212 3.671 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.382 6.467 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.140 7.708 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.738 6.862 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.092 2.704 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.390 3.503 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.688 4.301 -2.243 1.00 0.00 H new ATOM 586 N GLN A 41 0.402 8.316 -6.432 1.00 0.00 N ATOM 587 CA GLN A 41 0.625 9.694 -6.853 1.00 0.00 C ATOM 588 C GLN A 41 0.649 10.633 -5.652 1.00 0.00 C ATOM 589 O GLN A 41 -0.240 10.592 -4.802 1.00 0.00 O ATOM 590 CB GLN A 41 -0.462 10.131 -7.836 1.00 0.00 C ATOM 591 CG GLN A 41 -0.390 11.604 -8.207 1.00 0.00 C ATOM 592 CD GLN A 41 0.690 11.896 -9.230 1.00 0.00 C ATOM 593 OE1 GLN A 41 0.542 11.583 -10.412 1.00 0.00 O ATOM 594 NE2 GLN A 41 1.784 12.499 -8.781 1.00 0.00 N ATOM 0 H GLN A 41 -0.580 8.054 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 41 1.594 9.744 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.382 9.532 -8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.439 9.922 -7.401 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.355 11.923 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.203 12.192 -7.309 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.864 12.740 -7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.544 12.721 -9.424 1.00 0.00 H new ATOM 603 N ALA A 42 1.673 11.479 -5.588 1.00 0.00 N ATOM 604 CA ALA A 42 1.811 12.429 -4.492 1.00 0.00 C ATOM 605 C ALA A 42 1.119 13.748 -4.818 1.00 0.00 C ATOM 606 O ALA A 42 1.312 14.312 -5.895 1.00 0.00 O ATOM 607 CB ALA A 42 3.282 12.666 -4.181 1.00 0.00 C ATOM 0 H ALA A 42 2.419 11.525 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 42 1.328 12.003 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.370 13.378 -3.360 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.750 11.724 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.781 13.066 -5.064 1.00 0.00 H new ATOM 613 N VAL A 43 0.310 14.235 -3.882 1.00 0.00 N ATOM 614 CA VAL A 43 -0.411 15.488 -4.070 1.00 0.00 C ATOM 615 C VAL A 43 -0.078 16.485 -2.966 1.00 0.00 C ATOM 616 O VAL A 43 0.013 16.120 -1.793 1.00 0.00 O ATOM 617 CB VAL A 43 -1.934 15.260 -4.099 1.00 0.00 C ATOM 618 CG1 VAL A 43 -2.671 16.588 -4.180 1.00 0.00 C ATOM 619 CG2 VAL A 43 -2.315 14.357 -5.262 1.00 0.00 C ATOM 0 H VAL A 43 0.138 13.780 -2.985 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.094 15.895 -5.030 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.228 14.765 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.746 16.407 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.421 17.196 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.375 17.114 -5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.395 14.207 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.009 14.822 -6.199 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.815 13.394 -5.154 1.00 0.00 H new ATOM 629 N ASP A 44 0.103 17.744 -3.348 1.00 0.00 N ATOM 630 CA ASP A 44 0.424 18.795 -2.389 1.00 0.00 C ATOM 631 C ASP A 44 -0.821 19.232 -1.624 1.00 0.00 C ATOM 632 O ASP A 44 -1.901 18.665 -1.797 1.00 0.00 O ATOM 633 CB ASP A 44 1.045 19.995 -3.106 1.00 0.00 C ATOM 634 CG ASP A 44 0.496 20.181 -4.507 1.00 0.00 C ATOM 635 OD1 ASP A 44 -0.532 20.875 -4.653 1.00 0.00 O ATOM 636 OD2 ASP A 44 1.093 19.632 -5.456 1.00 0.00 O ATOM 0 H ASP A 44 0.033 18.062 -4.315 1.00 0.00 H new ATOM 0 HA ASP A 44 1.144 18.395 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.860 20.898 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.126 19.864 -3.157 1.00 0.00 H new ATOM 641 N THR A 45 -0.664 20.244 -0.776 1.00 0.00 N ATOM 642 CA THR A 45 -1.774 20.756 0.018 1.00 0.00 C ATOM 643 C THR A 45 -2.815 21.433 -0.866 1.00 0.00 C ATOM 644 O THR A 45 -3.958 21.632 -0.454 1.00 0.00 O ATOM 645 CB THR A 45 -1.289 21.758 1.081 1.00 0.00 C ATOM 646 OG1 THR A 45 -0.607 22.849 0.452 1.00 0.00 O ATOM 647 CG2 THR A 45 -0.361 21.082 2.080 1.00 0.00 C ATOM 0 H THR A 45 0.222 20.725 -0.622 1.00 0.00 H new ATOM 0 HA THR A 45 -2.227 19.900 0.518 1.00 0.00 H new ATOM 0 HB THR A 45 -2.161 22.135 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.303 23.483 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.032 21.810 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.892 20.271 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.506 20.680 1.556 1.00 0.00 H new ATOM 655 N SER A 46 -2.412 21.786 -2.083 1.00 0.00 N ATOM 656 CA SER A 46 -3.310 22.445 -3.024 1.00 0.00 C ATOM 657 C SER A 46 -4.129 21.419 -3.802 1.00 0.00 C ATOM 658 O SER A 46 -5.351 21.527 -3.897 1.00 0.00 O ATOM 659 CB SER A 46 -2.514 23.320 -3.994 1.00 0.00 C ATOM 660 OG SER A 46 -3.323 23.749 -5.075 1.00 0.00 O ATOM 0 H SER A 46 -1.470 21.627 -2.440 1.00 0.00 H new ATOM 0 HA SER A 46 -3.994 23.075 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.118 24.187 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.659 22.761 -4.375 1.00 0.00 H new ATOM 0 HG SER A 46 -2.791 24.308 -5.680 1.00 0.00 H new ATOM 666 N GLY A 47 -3.446 20.423 -4.357 1.00 0.00 N ATOM 667 CA GLY A 47 -4.125 19.392 -5.120 1.00 0.00 C ATOM 668 C GLY A 47 -3.477 19.148 -6.469 1.00 0.00 C ATOM 669 O GLY A 47 -4.128 18.675 -7.400 1.00 0.00 O ATOM 0 H GLY A 47 -2.434 20.311 -4.292 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.128 18.464 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.166 19.679 -5.267 1.00 0.00 H new ATOM 673 N ASN A 48 -2.193 19.472 -6.575 1.00 0.00 N ATOM 674 CA ASN A 48 -1.458 19.287 -7.820 1.00 0.00 C ATOM 675 C ASN A 48 -0.535 18.075 -7.733 1.00 0.00 C ATOM 676 O ASN A 48 0.041 17.794 -6.681 1.00 0.00 O ATOM 677 CB ASN A 48 -0.643 20.540 -8.147 1.00 0.00 C ATOM 678 CG ASN A 48 -1.448 21.814 -7.974 1.00 0.00 C ATOM 679 OD1 ASN A 48 -2.538 21.953 -8.529 1.00 0.00 O ATOM 680 ND2 ASN A 48 -0.911 22.751 -7.201 1.00 0.00 N ATOM 0 H ASN A 48 -1.640 19.864 -5.813 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.181 19.114 -8.617 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.235 20.578 -7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.282 20.478 -9.174 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.405 23.630 -7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.005 22.592 -6.761 1.00 0.00 H new ATOM 687 N LYS A 49 -0.397 17.361 -8.845 1.00 0.00 N ATOM 688 CA LYS A 49 0.457 16.180 -8.896 1.00 0.00 C ATOM 689 C LYS A 49 1.927 16.567 -8.774 1.00 0.00 C ATOM 690 O LYS A 49 2.353 17.600 -9.292 1.00 0.00 O ATOM 691 CB LYS A 49 0.226 15.415 -10.201 1.00 0.00 C ATOM 692 CG LYS A 49 -1.136 14.748 -10.282 1.00 0.00 C ATOM 693 CD LYS A 49 -1.441 14.273 -11.693 1.00 0.00 C ATOM 694 CE LYS A 49 -2.783 13.562 -11.764 1.00 0.00 C ATOM 695 NZ LYS A 49 -3.382 13.641 -13.125 1.00 0.00 N ATOM 0 H LYS A 49 -0.866 17.580 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 49 0.198 15.537 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.335 16.103 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.000 14.655 -10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.169 13.901 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.905 15.449 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.443 15.125 -12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.653 13.599 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.655 12.516 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.467 14.005 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.296 13.144 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.528 14.638 -13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.741 13.196 -13.813 1.00 0.00 H new ATOM 709 N PHE A 50 2.700 15.731 -8.088 1.00 0.00 N ATOM 710 CA PHE A 50 4.123 15.986 -7.899 1.00 0.00 C ATOM 711 C PHE A 50 4.918 15.576 -9.135 1.00 0.00 C ATOM 712 O PHE A 50 5.711 16.355 -9.664 1.00 0.00 O ATOM 713 CB PHE A 50 4.639 15.229 -6.673 1.00 0.00 C ATOM 714 CG PHE A 50 4.576 16.030 -5.404 1.00 0.00 C ATOM 715 CD1 PHE A 50 3.358 16.453 -4.896 1.00 0.00 C ATOM 716 CD2 PHE A 50 5.734 16.360 -4.718 1.00 0.00 C ATOM 717 CE1 PHE A 50 3.295 17.189 -3.728 1.00 0.00 C ATOM 718 CE2 PHE A 50 5.677 17.095 -3.550 1.00 0.00 C ATOM 719 CZ PHE A 50 4.457 17.512 -3.055 1.00 0.00 C ATOM 0 H PHE A 50 2.364 14.871 -7.654 1.00 0.00 H new ATOM 0 HA PHE A 50 4.257 17.056 -7.741 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.056 14.317 -6.547 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.671 14.925 -6.851 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.447 16.204 -5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.691 16.039 -5.101 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.339 17.511 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.587 17.344 -3.024 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.412 18.089 -2.143 1.00 0.00 H new ATOM 729 N THR A 51 4.699 14.346 -9.591 1.00 0.00 N ATOM 730 CA THR A 51 5.395 13.831 -10.764 1.00 0.00 C ATOM 731 C THR A 51 6.898 14.064 -10.657 1.00 0.00 C ATOM 732 O THR A 51 7.586 14.210 -11.667 1.00 0.00 O ATOM 733 CB THR A 51 4.876 14.486 -12.058 1.00 0.00 C ATOM 734 OG1 THR A 51 5.087 15.902 -12.009 1.00 0.00 O ATOM 735 CG2 THR A 51 3.396 14.195 -12.255 1.00 0.00 C ATOM 0 H THR A 51 4.045 13.688 -9.166 1.00 0.00 H new ATOM 0 HA THR A 51 5.198 12.760 -10.804 1.00 0.00 H new ATOM 0 HB THR A 51 5.428 14.066 -12.899 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.758 16.109 -11.325 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.052 14.668 -13.175 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.243 13.118 -12.321 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.832 14.591 -11.411 1.00 0.00 H new ATOM 743 N SER A 52 7.402 14.098 -9.428 1.00 0.00 N ATOM 744 CA SER A 52 8.824 14.316 -9.190 1.00 0.00 C ATOM 745 C SER A 52 9.394 13.234 -8.277 1.00 0.00 C ATOM 746 O SER A 52 8.668 12.360 -7.804 1.00 0.00 O ATOM 747 CB SER A 52 9.053 15.695 -8.569 1.00 0.00 C ATOM 748 OG SER A 52 10.391 16.122 -8.754 1.00 0.00 O ATOM 0 H SER A 52 6.847 13.977 -8.581 1.00 0.00 H new ATOM 0 HA SER A 52 9.339 14.267 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.372 16.417 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.823 15.660 -7.504 1.00 0.00 H new ATOM 0 HG SER A 52 10.511 17.007 -8.350 1.00 0.00 H new ATOM 754 N SER A 53 10.699 13.302 -8.034 1.00 0.00 N ATOM 755 CA SER A 53 11.369 12.327 -7.181 1.00 0.00 C ATOM 756 C SER A 53 11.545 12.872 -5.767 1.00 0.00 C ATOM 757 O SER A 53 12.428 13.685 -5.494 1.00 0.00 O ATOM 758 CB SER A 53 12.731 11.954 -7.770 1.00 0.00 C ATOM 759 OG SER A 53 13.367 10.956 -6.991 1.00 0.00 O ATOM 0 H SER A 53 11.313 14.022 -8.415 1.00 0.00 H new ATOM 0 HA SER A 53 10.746 11.434 -7.132 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.603 11.596 -8.792 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.364 12.840 -7.819 1.00 0.00 H new ATOM 0 HG SER A 53 14.235 10.734 -7.389 1.00 0.00 H new ATOM 765 N PRO A 54 10.685 12.414 -4.846 1.00 0.00 N ATOM 766 CA PRO A 54 10.725 12.842 -3.444 1.00 0.00 C ATOM 767 C PRO A 54 11.948 12.306 -2.709 1.00 0.00 C ATOM 768 O PRO A 54 12.655 13.053 -2.033 1.00 0.00 O ATOM 769 CB PRO A 54 9.444 12.245 -2.855 1.00 0.00 C ATOM 770 CG PRO A 54 9.139 11.072 -3.722 1.00 0.00 C ATOM 771 CD PRO A 54 9.607 11.444 -5.101 1.00 0.00 C ATOM 0 HA PRO A 54 10.790 13.926 -3.350 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.588 11.944 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.629 12.968 -2.866 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.651 10.179 -3.364 1.00 0.00 H new ATOM 0 HG3 PRO A 54 8.072 10.851 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.970 10.575 -5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.804 11.883 -5.693 1.00 0.00 H new ATOM 779 N GLY A 55 12.194 11.006 -2.847 1.00 0.00 N ATOM 780 CA GLY A 55 13.334 10.393 -2.190 1.00 0.00 C ATOM 781 C GLY A 55 13.405 8.898 -2.429 1.00 0.00 C ATOM 782 O GLY A 55 12.641 8.353 -3.224 1.00 0.00 O ATOM 0 H GLY A 55 11.624 10.367 -3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.251 10.859 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.278 10.584 -1.118 1.00 0.00 H new ATOM 786 N GLU A 56 14.328 8.234 -1.739 1.00 0.00 N ATOM 787 CA GLU A 56 14.497 6.793 -1.883 1.00 0.00 C ATOM 788 C GLU A 56 13.247 6.049 -1.421 1.00 0.00 C ATOM 789 O GLU A 56 12.591 5.364 -2.206 1.00 0.00 O ATOM 790 CB GLU A 56 15.712 6.317 -1.084 1.00 0.00 C ATOM 791 CG GLU A 56 16.017 4.839 -1.262 1.00 0.00 C ATOM 792 CD GLU A 56 17.488 4.521 -1.073 1.00 0.00 C ATOM 793 OE1 GLU A 56 18.322 5.144 -1.762 1.00 0.00 O ATOM 794 OE2 GLU A 56 17.804 3.648 -0.238 1.00 0.00 O ATOM 0 H GLU A 56 14.969 8.670 -1.076 1.00 0.00 H new ATOM 0 HA GLU A 56 14.658 6.576 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.584 6.898 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.543 6.520 -0.026 1.00 0.00 H new ATOM 0 HG2 GLU A 56 15.429 4.262 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 56 15.706 4.525 -2.258 1.00 0.00 H new ATOM 801 N LYS A 57 12.924 6.188 -0.139 1.00 0.00 N ATOM 802 CA LYS A 57 11.753 5.531 0.430 1.00 0.00 C ATOM 803 C LYS A 57 10.994 6.477 1.354 1.00 0.00 C ATOM 804 O LYS A 57 11.447 6.780 2.458 1.00 0.00 O ATOM 805 CB LYS A 57 12.171 4.276 1.200 1.00 0.00 C ATOM 806 CG LYS A 57 12.837 3.223 0.331 1.00 0.00 C ATOM 807 CD LYS A 57 11.813 2.401 -0.433 1.00 0.00 C ATOM 808 CE LYS A 57 12.476 1.501 -1.463 1.00 0.00 C ATOM 809 NZ LYS A 57 13.321 0.454 -0.824 1.00 0.00 N ATOM 0 H LYS A 57 13.457 6.750 0.525 1.00 0.00 H new ATOM 0 HA LYS A 57 11.094 5.245 -0.390 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.855 4.561 1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.291 3.841 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.515 3.706 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.441 2.564 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.238 1.793 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.108 3.067 -0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.710 1.025 -2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.090 2.105 -2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.742 -0.149 -1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.078 0.907 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.734 -0.128 -0.193 1.00 0.00 H new ATOM 823 N VAL A 58 9.836 6.942 0.897 1.00 0.00 N ATOM 824 CA VAL A 58 9.012 7.852 1.683 1.00 0.00 C ATOM 825 C VAL A 58 7.681 7.207 2.054 1.00 0.00 C ATOM 826 O VAL A 58 7.201 7.351 3.178 1.00 0.00 O ATOM 827 CB VAL A 58 8.741 9.163 0.922 1.00 0.00 C ATOM 828 CG1 VAL A 58 10.031 9.946 0.730 1.00 0.00 C ATOM 829 CG2 VAL A 58 8.078 8.875 -0.416 1.00 0.00 C ATOM 0 H VAL A 58 9.447 6.703 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 58 9.569 8.078 2.593 1.00 0.00 H new ATOM 0 HB VAL A 58 8.059 9.773 1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 58 9.819 10.869 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 58 10.460 10.185 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.739 9.346 0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.894 9.813 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.733 8.245 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.132 8.360 -0.250 1.00 0.00 H new ATOM 839 N PHE A 59 7.089 6.495 1.101 1.00 0.00 N ATOM 840 CA PHE A 59 5.812 5.828 1.326 1.00 0.00 C ATOM 841 C PHE A 59 6.022 4.363 1.696 1.00 0.00 C ATOM 842 O PHE A 59 6.941 3.713 1.199 1.00 0.00 O ATOM 843 CB PHE A 59 4.932 5.930 0.079 1.00 0.00 C ATOM 844 CG PHE A 59 4.431 7.321 -0.189 1.00 0.00 C ATOM 845 CD1 PHE A 59 3.539 7.930 0.680 1.00 0.00 C ATOM 846 CD2 PHE A 59 4.851 8.019 -1.310 1.00 0.00 C ATOM 847 CE1 PHE A 59 3.077 9.209 0.436 1.00 0.00 C ATOM 848 CE2 PHE A 59 4.392 9.299 -1.558 1.00 0.00 C ATOM 849 CZ PHE A 59 3.503 9.894 -0.684 1.00 0.00 C ATOM 0 H PHE A 59 7.473 6.365 0.165 1.00 0.00 H new ATOM 0 HA PHE A 59 5.312 6.326 2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.499 5.584 -0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.079 5.260 0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.201 7.399 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.545 7.558 -1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.383 9.673 1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.728 9.833 -2.434 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.142 10.893 -0.877 1.00 0.00 H new ATOM 859 N GLN A 60 5.163 3.851 2.571 1.00 0.00 N ATOM 860 CA GLN A 60 5.255 2.463 3.008 1.00 0.00 C ATOM 861 C GLN A 60 3.905 1.763 2.888 1.00 0.00 C ATOM 862 O GLN A 60 2.854 2.396 2.997 1.00 0.00 O ATOM 863 CB GLN A 60 5.751 2.393 4.453 1.00 0.00 C ATOM 864 CG GLN A 60 5.950 0.973 4.961 1.00 0.00 C ATOM 865 CD GLN A 60 7.049 0.873 6.000 1.00 0.00 C ATOM 866 OE1 GLN A 60 7.090 1.651 6.954 1.00 0.00 O ATOM 867 NE2 GLN A 60 7.948 -0.087 5.820 1.00 0.00 N ATOM 0 H GLN A 60 4.396 4.376 2.991 1.00 0.00 H new ATOM 0 HA GLN A 60 5.968 1.952 2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.694 2.933 4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 60 5.037 2.904 5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.016 0.611 5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.189 0.321 4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.875 -0.709 5.015 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.711 -0.202 6.487 1.00 0.00 H new ATOM 876 N VAL A 61 3.940 0.454 2.662 1.00 0.00 N ATOM 877 CA VAL A 61 2.719 -0.332 2.528 1.00 0.00 C ATOM 878 C VAL A 61 2.791 -1.606 3.362 1.00 0.00 C ATOM 879 O VAL A 61 3.836 -2.252 3.440 1.00 0.00 O ATOM 880 CB VAL A 61 2.452 -0.708 1.058 1.00 0.00 C ATOM 881 CG1 VAL A 61 1.131 -1.449 0.927 1.00 0.00 C ATOM 882 CG2 VAL A 61 2.466 0.534 0.180 1.00 0.00 C ATOM 0 H VAL A 61 4.801 -0.085 2.568 1.00 0.00 H new ATOM 0 HA VAL A 61 1.901 0.290 2.891 1.00 0.00 H new ATOM 0 HB VAL A 61 3.248 -1.372 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.960 -1.706 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.164 -2.360 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.320 -0.813 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.276 0.250 -0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.692 1.225 0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.440 1.018 0.250 1.00 0.00 H new ATOM 892 N LYS A 62 1.672 -1.963 3.984 1.00 0.00 N ATOM 893 CA LYS A 62 1.605 -3.161 4.811 1.00 0.00 C ATOM 894 C LYS A 62 0.439 -4.049 4.391 1.00 0.00 C ATOM 895 O LYS A 62 -0.634 -3.557 4.041 1.00 0.00 O ATOM 896 CB LYS A 62 1.464 -2.780 6.287 1.00 0.00 C ATOM 897 CG LYS A 62 1.257 -3.971 7.206 1.00 0.00 C ATOM 898 CD LYS A 62 2.557 -4.717 7.453 1.00 0.00 C ATOM 899 CE LYS A 62 2.307 -6.185 7.764 1.00 0.00 C ATOM 900 NZ LYS A 62 3.559 -6.890 8.154 1.00 0.00 N ATOM 0 H LYS A 62 0.799 -1.439 3.930 1.00 0.00 H new ATOM 0 HA LYS A 62 2.531 -3.719 4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.358 -2.240 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.623 -2.096 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.845 -3.631 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.526 -4.649 6.766 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.198 -4.634 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.091 -4.254 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.578 -6.266 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.873 -6.672 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.347 -7.887 8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.246 -6.834 7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.960 -6.441 9.002 1.00 0.00 H new ATOM 914 N VAL A 63 0.655 -5.360 4.428 1.00 0.00 N ATOM 915 CA VAL A 63 -0.380 -6.317 4.053 1.00 0.00 C ATOM 916 C VAL A 63 -0.599 -7.349 5.154 1.00 0.00 C ATOM 917 O VAL A 63 0.349 -7.975 5.629 1.00 0.00 O ATOM 918 CB VAL A 63 -0.022 -7.046 2.744 1.00 0.00 C ATOM 919 CG1 VAL A 63 -1.076 -8.091 2.410 1.00 0.00 C ATOM 920 CG2 VAL A 63 0.133 -6.050 1.605 1.00 0.00 C ATOM 0 H VAL A 63 1.538 -5.784 4.714 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.298 -5.749 3.904 1.00 0.00 H new ATOM 0 HB VAL A 63 0.931 -7.557 2.881 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.807 -8.596 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.133 -8.821 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.045 -7.606 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.386 -6.582 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.803 -5.509 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.927 -5.343 1.845 1.00 0.00 H new ATOM 930 N SER A 64 -1.854 -7.522 5.554 1.00 0.00 N ATOM 931 CA SER A 64 -2.198 -8.476 6.601 1.00 0.00 C ATOM 932 C SER A 64 -3.670 -8.869 6.516 1.00 0.00 C ATOM 933 O SER A 64 -4.542 -8.017 6.348 1.00 0.00 O ATOM 934 CB SER A 64 -1.895 -7.884 7.979 1.00 0.00 C ATOM 935 OG SER A 64 -1.568 -8.901 8.910 1.00 0.00 O ATOM 0 H SER A 64 -2.650 -7.014 5.169 1.00 0.00 H new ATOM 0 HA SER A 64 -1.592 -9.371 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.068 -7.178 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.759 -7.324 8.336 1.00 0.00 H new ATOM 0 HG SER A 64 -1.377 -8.497 9.782 1.00 0.00 H new ATOM 941 N ALA A 65 -3.938 -10.165 6.635 1.00 0.00 N ATOM 942 CA ALA A 65 -5.303 -10.672 6.574 1.00 0.00 C ATOM 943 C ALA A 65 -6.017 -10.488 7.908 1.00 0.00 C ATOM 944 O ALA A 65 -5.614 -11.032 8.936 1.00 0.00 O ATOM 945 CB ALA A 65 -5.304 -12.139 6.171 1.00 0.00 C ATOM 0 H ALA A 65 -3.227 -10.883 6.774 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.843 -10.099 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.330 -12.504 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.840 -12.247 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.742 -12.718 6.904 1.00 0.00 H new ATOM 951 N PRO A 66 -7.103 -9.701 7.895 1.00 0.00 N ATOM 952 CA PRO A 66 -7.897 -9.426 9.097 1.00 0.00 C ATOM 953 C PRO A 66 -8.669 -10.651 9.574 1.00 0.00 C ATOM 954 O PRO A 66 -8.695 -10.954 10.766 1.00 0.00 O ATOM 955 CB PRO A 66 -8.862 -8.329 8.642 1.00 0.00 C ATOM 956 CG PRO A 66 -8.981 -8.516 7.169 1.00 0.00 C ATOM 957 CD PRO A 66 -7.641 -9.019 6.706 1.00 0.00 C ATOM 0 HA PRO A 66 -7.271 -9.138 9.942 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.831 -8.425 9.133 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.478 -7.338 8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.770 -9.229 6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -9.238 -7.578 6.676 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.738 -9.701 5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.995 -8.202 6.384 1.00 0.00 H new ATOM 965 N GLU A 67 -9.297 -11.352 8.635 1.00 0.00 N ATOM 966 CA GLU A 67 -10.071 -12.544 8.961 1.00 0.00 C ATOM 967 C GLU A 67 -9.152 -13.734 9.222 1.00 0.00 C ATOM 968 O GLU A 67 -9.194 -14.341 10.292 1.00 0.00 O ATOM 969 CB GLU A 67 -11.043 -12.875 7.827 1.00 0.00 C ATOM 970 CG GLU A 67 -11.989 -14.019 8.150 1.00 0.00 C ATOM 971 CD GLU A 67 -13.147 -14.112 7.175 1.00 0.00 C ATOM 972 OE1 GLU A 67 -13.484 -13.081 6.556 1.00 0.00 O ATOM 973 OE2 GLU A 67 -13.715 -15.214 7.031 1.00 0.00 O ATOM 0 H GLU A 67 -9.285 -11.115 7.643 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.640 -12.340 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.628 -11.986 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.473 -13.128 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.435 -14.957 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.379 -13.889 9.160 1.00 0.00 H new ATOM 980 N GLU A 68 -8.324 -14.062 8.235 1.00 0.00 N ATOM 981 CA GLU A 68 -7.396 -15.181 8.357 1.00 0.00 C ATOM 982 C GLU A 68 -6.152 -14.772 9.142 1.00 0.00 C ATOM 983 O GLU A 68 -5.794 -13.596 9.188 1.00 0.00 O ATOM 984 CB GLU A 68 -6.994 -15.692 6.973 1.00 0.00 C ATOM 985 CG GLU A 68 -6.506 -17.131 6.973 1.00 0.00 C ATOM 986 CD GLU A 68 -7.579 -18.110 7.410 1.00 0.00 C ATOM 987 OE1 GLU A 68 -8.598 -18.231 6.698 1.00 0.00 O ATOM 988 OE2 GLU A 68 -7.399 -18.756 8.464 1.00 0.00 O ATOM 0 H GLU A 68 -8.277 -13.570 7.343 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.900 -15.981 8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.848 -15.607 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.209 -15.051 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.164 -17.395 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.646 -17.219 7.637 1.00 0.00 H new ATOM 995 N GLN A 69 -5.499 -15.753 9.757 1.00 0.00 N ATOM 996 CA GLN A 69 -4.296 -15.496 10.540 1.00 0.00 C ATOM 997 C GLN A 69 -3.250 -14.764 9.706 1.00 0.00 C ATOM 998 O GLN A 69 -3.354 -14.695 8.481 1.00 0.00 O ATOM 999 CB GLN A 69 -3.717 -16.809 11.069 1.00 0.00 C ATOM 1000 CG GLN A 69 -4.478 -17.374 12.258 1.00 0.00 C ATOM 1001 CD GLN A 69 -5.696 -18.174 11.844 1.00 0.00 C ATOM 1002 OE1 GLN A 69 -6.787 -17.627 11.679 1.00 0.00 O ATOM 1003 NE2 GLN A 69 -5.518 -19.479 11.672 1.00 0.00 N ATOM 0 H GLN A 69 -5.783 -16.732 9.728 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.570 -14.862 11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.716 -17.546 10.266 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.678 -16.649 11.356 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.812 -18.009 12.842 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -4.789 -16.556 12.908 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.597 -19.892 11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -6.302 -20.068 11.393 1.00 0.00 H new ATOM 1012 N PHE A 70 -2.241 -14.218 10.377 1.00 0.00 N ATOM 1013 CA PHE A 70 -1.176 -13.490 9.698 1.00 0.00 C ATOM 1014 C PHE A 70 -0.865 -14.120 8.344 1.00 0.00 C ATOM 1015 O PHE A 70 -0.981 -15.333 8.168 1.00 0.00 O ATOM 1016 CB PHE A 70 0.085 -13.465 10.564 1.00 0.00 C ATOM 1017 CG PHE A 70 -0.072 -12.671 11.830 1.00 0.00 C ATOM 1018 CD1 PHE A 70 0.056 -11.292 11.818 1.00 0.00 C ATOM 1019 CD2 PHE A 70 -0.346 -13.305 13.031 1.00 0.00 C ATOM 1020 CE1 PHE A 70 -0.088 -10.558 12.981 1.00 0.00 C ATOM 1021 CE2 PHE A 70 -0.492 -12.577 14.196 1.00 0.00 C ATOM 1022 CZ PHE A 70 -0.362 -11.202 14.172 1.00 0.00 C ATOM 0 H PHE A 70 -2.139 -14.266 11.391 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.516 -12.467 9.533 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.362 -14.488 10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.907 -13.048 9.983 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.271 -10.784 10.889 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.447 -14.380 13.057 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.014 -9.483 12.958 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.708 -13.083 15.125 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.474 -10.632 15.082 1.00 0.00 H new ATOM 1032 N THR A 71 -0.468 -13.286 7.387 1.00 0.00 N ATOM 1033 CA THR A 71 -0.141 -13.758 6.048 1.00 0.00 C ATOM 1034 C THR A 71 1.308 -13.444 5.692 1.00 0.00 C ATOM 1035 O THR A 71 1.871 -12.454 6.159 1.00 0.00 O ATOM 1036 CB THR A 71 -1.066 -13.130 4.989 1.00 0.00 C ATOM 1037 OG1 THR A 71 -0.821 -13.724 3.710 1.00 0.00 O ATOM 1038 CG2 THR A 71 -0.849 -11.626 4.906 1.00 0.00 C ATOM 0 H THR A 71 -0.365 -12.279 7.516 1.00 0.00 H new ATOM 0 HA THR A 71 -0.285 -14.838 6.050 1.00 0.00 H new ATOM 0 HB THR A 71 -2.099 -13.317 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.414 -13.320 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.513 -11.204 4.152 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.065 -11.173 5.874 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.186 -11.422 4.633 1.00 0.00 H new ATOM 1046 N ARG A 72 1.906 -14.293 4.863 1.00 0.00 N ATOM 1047 CA ARG A 72 3.290 -14.105 4.445 1.00 0.00 C ATOM 1048 C ARG A 72 3.360 -13.361 3.115 1.00 0.00 C ATOM 1049 O ARG A 72 3.029 -13.912 2.065 1.00 0.00 O ATOM 1050 CB ARG A 72 3.996 -15.457 4.323 1.00 0.00 C ATOM 1051 CG ARG A 72 5.501 -15.378 4.522 1.00 0.00 C ATOM 1052 CD ARG A 72 5.860 -15.208 5.989 1.00 0.00 C ATOM 1053 NE ARG A 72 7.305 -15.195 6.201 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.092 -14.188 5.838 1.00 0.00 C ATOM 1055 NH1 ARG A 72 7.576 -13.118 5.249 1.00 0.00 N ATOM 1056 NH2 ARG A 72 9.398 -14.250 6.064 1.00 0.00 N ATOM 0 H ARG A 72 1.454 -15.117 4.468 1.00 0.00 H new ATOM 0 HA ARG A 72 3.794 -13.506 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.576 -16.144 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.790 -15.878 3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.968 -16.283 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.902 -14.542 3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.431 -14.278 6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.416 -16.018 6.567 1.00 0.00 H new ATOM 0 HE ARG A 72 7.733 -16.003 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.573 -13.067 5.074 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.183 -12.346 4.971 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.799 -15.071 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.001 -13.476 5.785 1.00 0.00 H new ATOM 1070 N VAL A 73 3.792 -12.105 3.167 1.00 0.00 N ATOM 1071 CA VAL A 73 3.906 -11.285 1.967 1.00 0.00 C ATOM 1072 C VAL A 73 5.058 -10.293 2.087 1.00 0.00 C ATOM 1073 O VAL A 73 5.396 -9.847 3.183 1.00 0.00 O ATOM 1074 CB VAL A 73 2.604 -10.511 1.690 1.00 0.00 C ATOM 1075 CG1 VAL A 73 2.787 -9.559 0.518 1.00 0.00 C ATOM 1076 CG2 VAL A 73 1.456 -11.476 1.431 1.00 0.00 C ATOM 0 H VAL A 73 4.069 -11.633 4.028 1.00 0.00 H new ATOM 0 HA VAL A 73 4.100 -11.964 1.137 1.00 0.00 H new ATOM 0 HB VAL A 73 2.359 -9.919 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.856 -9.021 0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.579 -8.847 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.057 -10.126 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.543 -10.912 1.237 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.690 -12.096 0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.311 -12.112 2.304 1.00 0.00 H new ATOM 1086 N GLY A 74 5.658 -9.951 0.951 1.00 0.00 N ATOM 1087 CA GLY A 74 6.766 -9.013 0.950 1.00 0.00 C ATOM 1088 C GLY A 74 6.561 -7.875 -0.030 1.00 0.00 C ATOM 1089 O GLY A 74 7.059 -7.918 -1.155 1.00 0.00 O ATOM 0 H GLY A 74 5.397 -10.307 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.894 -8.606 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.686 -9.542 0.701 1.00 0.00 H new ATOM 1093 N VAL A 75 5.825 -6.854 0.396 1.00 0.00 N ATOM 1094 CA VAL A 75 5.555 -5.699 -0.452 1.00 0.00 C ATOM 1095 C VAL A 75 6.814 -4.864 -0.660 1.00 0.00 C ATOM 1096 O VAL A 75 7.754 -4.933 0.131 1.00 0.00 O ATOM 1097 CB VAL A 75 4.454 -4.806 0.150 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.241 -3.569 -0.709 1.00 0.00 C ATOM 1099 CG2 VAL A 75 3.158 -5.589 0.303 1.00 0.00 C ATOM 0 H VAL A 75 5.405 -6.803 1.324 1.00 0.00 H new ATOM 0 HA VAL A 75 5.215 -6.084 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 75 4.774 -4.481 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.460 -2.950 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.169 -2.999 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.942 -3.870 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.391 -4.943 0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.830 -5.945 -0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.323 -6.441 0.963 1.00 0.00 H new ATOM 1109 N GLN A 76 6.823 -4.076 -1.730 1.00 0.00 N ATOM 1110 CA GLN A 76 7.967 -3.227 -2.043 1.00 0.00 C ATOM 1111 C GLN A 76 7.572 -2.115 -3.009 1.00 0.00 C ATOM 1112 O GLN A 76 6.721 -2.306 -3.877 1.00 0.00 O ATOM 1113 CB GLN A 76 9.099 -4.062 -2.644 1.00 0.00 C ATOM 1114 CG GLN A 76 10.389 -3.283 -2.844 1.00 0.00 C ATOM 1115 CD GLN A 76 11.573 -4.182 -3.146 1.00 0.00 C ATOM 1116 OE1 GLN A 76 11.608 -4.857 -4.175 1.00 0.00 O ATOM 1117 NE2 GLN A 76 12.550 -4.195 -2.247 1.00 0.00 N ATOM 0 H GLN A 76 6.052 -4.008 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 76 8.314 -2.771 -1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.296 -4.914 -1.993 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.774 -4.463 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.258 -2.574 -3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.600 -2.700 -1.947 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.479 -3.619 -1.408 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.372 -4.781 -2.395 1.00 0.00 H new ATOM 1126 N VAL A 77 8.195 -0.951 -2.850 1.00 0.00 N ATOM 1127 CA VAL A 77 7.909 0.192 -3.708 1.00 0.00 C ATOM 1128 C VAL A 77 8.987 0.364 -4.772 1.00 0.00 C ATOM 1129 O VAL A 77 10.091 0.828 -4.484 1.00 0.00 O ATOM 1130 CB VAL A 77 7.798 1.493 -2.891 1.00 0.00 C ATOM 1131 CG1 VAL A 77 6.655 1.400 -1.891 1.00 0.00 C ATOM 1132 CG2 VAL A 77 9.111 1.793 -2.185 1.00 0.00 C ATOM 0 H VAL A 77 8.901 -0.775 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 77 6.953 -0.007 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 77 7.584 2.314 -3.576 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.592 2.328 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.718 1.236 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.835 0.569 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.014 2.716 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.358 0.972 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.904 1.906 -2.924 1.00 0.00 H new ATOM 1142 N LEU A 78 8.660 -0.012 -6.004 1.00 0.00 N ATOM 1143 CA LEU A 78 9.601 0.101 -7.113 1.00 0.00 C ATOM 1144 C LEU A 78 9.433 1.434 -7.835 1.00 0.00 C ATOM 1145 O LEU A 78 8.323 1.816 -8.205 1.00 0.00 O ATOM 1146 CB LEU A 78 9.400 -1.054 -8.097 1.00 0.00 C ATOM 1147 CG LEU A 78 10.639 -1.491 -8.880 1.00 0.00 C ATOM 1148 CD1 LEU A 78 11.047 -0.418 -9.877 1.00 0.00 C ATOM 1149 CD2 LEU A 78 11.786 -1.804 -7.931 1.00 0.00 C ATOM 0 H LEU A 78 7.751 -0.397 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 78 10.612 0.053 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 78 9.022 -1.914 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.627 -0.768 -8.810 1.00 0.00 H new ATOM 0 HG LEU A 78 10.394 -2.397 -9.434 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.930 -0.747 -10.425 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.230 -0.243 -10.577 1.00 0.00 H new ATOM 0 HD13 LEU A 78 11.273 0.506 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.659 -2.113 -8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.030 -0.915 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.491 -2.608 -7.257 1.00 0.00 H new ATOM 1161 N ASP A 79 10.543 2.136 -8.034 1.00 0.00 N ATOM 1162 CA ASP A 79 10.521 3.425 -8.715 1.00 0.00 C ATOM 1163 C ASP A 79 10.713 3.250 -10.218 1.00 0.00 C ATOM 1164 O ASP A 79 11.819 2.978 -10.685 1.00 0.00 O ATOM 1165 CB ASP A 79 11.609 4.342 -8.153 1.00 0.00 C ATOM 1166 CG ASP A 79 11.359 4.718 -6.706 1.00 0.00 C ATOM 1167 OD1 ASP A 79 10.838 3.868 -5.953 1.00 0.00 O ATOM 1168 OD2 ASP A 79 11.684 5.862 -6.326 1.00 0.00 O ATOM 0 H ASP A 79 11.470 1.834 -7.733 1.00 0.00 H new ATOM 0 HA ASP A 79 9.546 3.882 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.576 3.846 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.664 5.248 -8.756 1.00 0.00 H new ATOM 1173 N ARG A 80 9.628 3.405 -10.970 1.00 0.00 N ATOM 1174 CA ARG A 80 9.677 3.261 -12.420 1.00 0.00 C ATOM 1175 C ARG A 80 9.935 4.607 -13.092 1.00 0.00 C ATOM 1176 O ARG A 80 9.312 4.939 -14.101 1.00 0.00 O ATOM 1177 CB ARG A 80 8.368 2.663 -12.939 1.00 0.00 C ATOM 1178 CG ARG A 80 7.871 1.482 -12.121 1.00 0.00 C ATOM 1179 CD ARG A 80 6.596 0.896 -12.705 1.00 0.00 C ATOM 1180 NE ARG A 80 5.494 1.854 -12.685 1.00 0.00 N ATOM 1181 CZ ARG A 80 5.265 2.732 -13.655 1.00 0.00 C ATOM 1182 NH1 ARG A 80 6.057 2.773 -14.717 1.00 0.00 N ATOM 1183 NH2 ARG A 80 4.242 3.572 -13.564 1.00 0.00 N ATOM 0 H ARG A 80 8.705 3.630 -10.599 1.00 0.00 H new ATOM 0 HA ARG A 80 10.499 2.588 -12.665 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.602 3.438 -12.945 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.508 2.345 -13.972 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.643 0.713 -12.085 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.689 1.800 -11.094 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.780 0.577 -13.731 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.314 0.007 -12.141 1.00 0.00 H new ATOM 0 HE ARG A 80 4.865 1.849 -11.882 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.845 2.129 -14.791 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.879 3.448 -15.460 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.630 3.544 -12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.067 4.246 -14.310 1.00 0.00 H new ATOM 1197 N LYS A 81 10.857 5.378 -12.525 1.00 0.00 N ATOM 1198 CA LYS A 81 11.199 6.687 -13.068 1.00 0.00 C ATOM 1199 C LYS A 81 9.963 7.384 -13.629 1.00 0.00 C ATOM 1200 O LYS A 81 9.991 7.922 -14.735 1.00 0.00 O ATOM 1201 CB LYS A 81 12.259 6.547 -14.163 1.00 0.00 C ATOM 1202 CG LYS A 81 13.574 5.970 -13.666 1.00 0.00 C ATOM 1203 CD LYS A 81 14.494 7.057 -13.135 1.00 0.00 C ATOM 1204 CE LYS A 81 15.405 7.598 -14.226 1.00 0.00 C ATOM 1205 NZ LYS A 81 16.247 6.526 -14.827 1.00 0.00 N ATOM 0 H LYS A 81 11.381 5.118 -11.689 1.00 0.00 H new ATOM 0 HA LYS A 81 11.601 7.295 -12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.868 5.909 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.445 7.526 -14.604 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.379 5.241 -12.880 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.069 5.438 -14.478 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.897 7.870 -12.721 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.098 6.658 -12.320 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.802 8.065 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.047 8.375 -13.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.154 6.930 -15.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 16.422 5.784 -14.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.754 6.115 -15.645 1.00 0.00 H new ATOM 1219 N ASP A 82 8.881 7.370 -12.858 1.00 0.00 N ATOM 1220 CA ASP A 82 7.636 8.003 -13.277 1.00 0.00 C ATOM 1221 C ASP A 82 7.060 8.863 -12.157 1.00 0.00 C ATOM 1222 O ASP A 82 5.863 8.815 -11.877 1.00 0.00 O ATOM 1223 CB ASP A 82 6.617 6.943 -13.699 1.00 0.00 C ATOM 1224 CG ASP A 82 5.462 7.530 -14.486 1.00 0.00 C ATOM 1225 OD1 ASP A 82 5.688 8.505 -15.234 1.00 0.00 O ATOM 1226 OD2 ASP A 82 4.332 7.016 -14.354 1.00 0.00 O ATOM 0 H ASP A 82 8.841 6.927 -11.940 1.00 0.00 H new ATOM 0 HA ASP A 82 7.853 8.647 -14.129 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.115 6.184 -14.302 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.230 6.441 -12.812 1.00 0.00 H new ATOM 1231 N GLY A 83 7.921 9.649 -11.517 1.00 0.00 N ATOM 1232 CA GLY A 83 7.479 10.507 -10.434 1.00 0.00 C ATOM 1233 C GLY A 83 6.453 9.835 -9.543 1.00 0.00 C ATOM 1234 O GLY A 83 5.651 10.506 -8.894 1.00 0.00 O ATOM 0 H GLY A 83 8.917 9.706 -11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.340 10.801 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.053 11.420 -10.849 1.00 0.00 H new ATOM 1238 N SER A 84 6.477 8.506 -9.514 1.00 0.00 N ATOM 1239 CA SER A 84 5.538 7.743 -8.700 1.00 0.00 C ATOM 1240 C SER A 84 6.175 6.447 -8.208 1.00 0.00 C ATOM 1241 O SER A 84 7.306 6.121 -8.569 1.00 0.00 O ATOM 1242 CB SER A 84 4.273 7.431 -9.502 1.00 0.00 C ATOM 1243 OG SER A 84 4.562 6.585 -10.601 1.00 0.00 O ATOM 0 H SER A 84 7.136 7.936 -10.044 1.00 0.00 H new ATOM 0 HA SER A 84 5.270 8.348 -7.833 1.00 0.00 H new ATOM 0 HB2 SER A 84 3.537 6.954 -8.855 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.828 8.359 -9.861 1.00 0.00 H new ATOM 0 HG SER A 84 4.920 7.120 -11.340 1.00 0.00 H new ATOM 1249 N PHE A 85 5.440 5.711 -7.380 1.00 0.00 N ATOM 1250 CA PHE A 85 5.932 4.451 -6.836 1.00 0.00 C ATOM 1251 C PHE A 85 4.891 3.347 -6.995 1.00 0.00 C ATOM 1252 O PHE A 85 3.723 3.525 -6.647 1.00 0.00 O ATOM 1253 CB PHE A 85 6.296 4.615 -5.359 1.00 0.00 C ATOM 1254 CG PHE A 85 7.343 5.664 -5.113 1.00 0.00 C ATOM 1255 CD1 PHE A 85 7.030 7.010 -5.208 1.00 0.00 C ATOM 1256 CD2 PHE A 85 8.640 5.303 -4.785 1.00 0.00 C ATOM 1257 CE1 PHE A 85 7.992 7.977 -4.983 1.00 0.00 C ATOM 1258 CE2 PHE A 85 9.606 6.265 -4.558 1.00 0.00 C ATOM 1259 CZ PHE A 85 9.281 7.604 -4.656 1.00 0.00 C ATOM 0 H PHE A 85 4.502 5.966 -7.071 1.00 0.00 H new ATOM 0 HA PHE A 85 6.825 4.168 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.397 4.871 -4.798 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.652 3.660 -4.972 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.023 7.307 -5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 85 8.899 4.258 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE A 85 7.736 9.023 -5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 85 10.614 5.970 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 85 10.033 8.358 -4.477 1.00 0.00 H new ATOM 1269 N ILE A 86 5.322 2.206 -7.524 1.00 0.00 N ATOM 1270 CA ILE A 86 4.428 1.074 -7.729 1.00 0.00 C ATOM 1271 C ILE A 86 4.539 0.072 -6.584 1.00 0.00 C ATOM 1272 O ILE A 86 5.638 -0.262 -6.141 1.00 0.00 O ATOM 1273 CB ILE A 86 4.728 0.353 -9.056 1.00 0.00 C ATOM 1274 CG1 ILE A 86 3.492 -0.410 -9.538 1.00 0.00 C ATOM 1275 CG2 ILE A 86 5.909 -0.592 -8.891 1.00 0.00 C ATOM 1276 CD1 ILE A 86 2.406 0.487 -10.089 1.00 0.00 C ATOM 0 H ILE A 86 6.285 2.042 -7.818 1.00 0.00 H new ATOM 0 HA ILE A 86 3.415 1.474 -7.763 1.00 0.00 H new ATOM 0 HB ILE A 86 4.987 1.099 -9.807 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.791 -1.121 -10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.087 -0.990 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.108 -1.094 -9.838 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.789 -0.025 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.677 -1.335 -8.128 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.561 -0.121 -10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.079 1.181 -9.314 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.794 1.049 -10.939 1.00 0.00 H new ATOM 1288 N VAL A 87 3.392 -0.404 -6.109 1.00 0.00 N ATOM 1289 CA VAL A 87 3.359 -1.370 -5.017 1.00 0.00 C ATOM 1290 C VAL A 87 3.080 -2.776 -5.536 1.00 0.00 C ATOM 1291 O VAL A 87 1.993 -3.060 -6.038 1.00 0.00 O ATOM 1292 CB VAL A 87 2.291 -0.999 -3.972 1.00 0.00 C ATOM 1293 CG1 VAL A 87 2.351 -1.950 -2.786 1.00 0.00 C ATOM 1294 CG2 VAL A 87 2.466 0.442 -3.520 1.00 0.00 C ATOM 0 H VAL A 87 2.474 -0.136 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 87 4.341 -1.348 -4.545 1.00 0.00 H new ATOM 0 HB VAL A 87 1.308 -1.094 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.589 -1.672 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.172 -2.969 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.335 -1.891 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.703 0.687 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.454 0.567 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.367 1.107 -4.378 1.00 0.00 H new ATOM 1304 N ARG A 88 4.070 -3.655 -5.411 1.00 0.00 N ATOM 1305 CA ARG A 88 3.932 -5.032 -5.867 1.00 0.00 C ATOM 1306 C ARG A 88 4.552 -6.002 -4.866 1.00 0.00 C ATOM 1307 O ARG A 88 5.528 -5.673 -4.191 1.00 0.00 O ATOM 1308 CB ARG A 88 4.590 -5.206 -7.237 1.00 0.00 C ATOM 1309 CG ARG A 88 5.958 -4.551 -7.344 1.00 0.00 C ATOM 1310 CD ARG A 88 7.067 -5.509 -6.940 1.00 0.00 C ATOM 1311 NE ARG A 88 7.284 -6.549 -7.943 1.00 0.00 N ATOM 1312 CZ ARG A 88 8.422 -7.222 -8.069 1.00 0.00 C ATOM 1313 NH1 ARG A 88 9.440 -6.967 -7.260 1.00 0.00 N ATOM 1314 NH2 ARG A 88 8.543 -8.154 -9.006 1.00 0.00 N ATOM 0 H ARG A 88 4.976 -3.437 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 88 2.868 -5.255 -5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.689 -6.270 -7.451 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.935 -4.787 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.122 -4.214 -8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.990 -3.667 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.991 -4.951 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.816 -5.972 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 88 6.520 -6.770 -8.581 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.351 -6.252 -6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.313 -7.486 -7.359 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.762 -8.354 -9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.417 -8.670 -9.102 1.00 0.00 H new ATOM 1328 N TYR A 89 3.980 -7.197 -4.775 1.00 0.00 N ATOM 1329 CA TYR A 89 4.475 -8.214 -3.855 1.00 0.00 C ATOM 1330 C TYR A 89 4.530 -9.580 -4.530 1.00 0.00 C ATOM 1331 O TYR A 89 3.975 -9.773 -5.612 1.00 0.00 O ATOM 1332 CB TYR A 89 3.586 -8.282 -2.612 1.00 0.00 C ATOM 1333 CG TYR A 89 2.107 -8.235 -2.922 1.00 0.00 C ATOM 1334 CD1 TYR A 89 1.443 -9.354 -3.410 1.00 0.00 C ATOM 1335 CD2 TYR A 89 1.372 -7.072 -2.726 1.00 0.00 C ATOM 1336 CE1 TYR A 89 0.092 -9.316 -3.696 1.00 0.00 C ATOM 1337 CE2 TYR A 89 0.020 -7.025 -3.008 1.00 0.00 C ATOM 1338 CZ TYR A 89 -0.615 -8.149 -3.493 1.00 0.00 C ATOM 1339 OH TYR A 89 -1.961 -8.107 -3.775 1.00 0.00 O ATOM 0 H TYR A 89 3.173 -7.486 -5.327 1.00 0.00 H new ATOM 0 HA TYR A 89 5.486 -7.936 -3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.806 -9.201 -2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.837 -7.453 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.993 -10.270 -3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 89 1.866 -6.190 -2.347 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.408 -10.195 -4.076 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -0.536 -6.113 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.309 -7.213 -3.576 1.00 0.00 H new ATOM 1349 N ARG A 90 5.203 -10.526 -3.883 1.00 0.00 N ATOM 1350 CA ARG A 90 5.331 -11.876 -4.421 1.00 0.00 C ATOM 1351 C ARG A 90 4.490 -12.863 -3.617 1.00 0.00 C ATOM 1352 O ARG A 90 4.420 -12.781 -2.392 1.00 0.00 O ATOM 1353 CB ARG A 90 6.797 -12.313 -4.412 1.00 0.00 C ATOM 1354 CG ARG A 90 7.011 -13.736 -4.903 1.00 0.00 C ATOM 1355 CD ARG A 90 6.876 -13.829 -6.415 1.00 0.00 C ATOM 1356 NE ARG A 90 8.079 -13.365 -7.101 1.00 0.00 N ATOM 1357 CZ ARG A 90 8.116 -13.060 -8.394 1.00 0.00 C ATOM 1358 NH1 ARG A 90 7.022 -13.169 -9.135 1.00 0.00 N ATOM 1359 NH2 ARG A 90 9.248 -12.644 -8.946 1.00 0.00 N ATOM 0 H ARG A 90 5.668 -10.383 -2.986 1.00 0.00 H new ATOM 0 HA ARG A 90 4.967 -11.868 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.374 -11.631 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.188 -12.225 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.001 -14.081 -4.603 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.286 -14.398 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.673 -14.862 -6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.022 -13.235 -6.740 1.00 0.00 H new ATOM 0 HE ARG A 90 8.937 -13.270 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.150 -13.487 -8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.053 -12.934 -10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.091 -12.558 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.276 -12.410 -9.938 1.00 0.00 H new ATOM 1373 N MET A 91 3.853 -13.796 -4.318 1.00 0.00 N ATOM 1374 CA MET A 91 3.016 -14.799 -3.669 1.00 0.00 C ATOM 1375 C MET A 91 2.819 -16.010 -4.576 1.00 0.00 C ATOM 1376 O MET A 91 2.704 -15.874 -5.794 1.00 0.00 O ATOM 1377 CB MET A 91 1.659 -14.200 -3.297 1.00 0.00 C ATOM 1378 CG MET A 91 0.732 -15.182 -2.600 1.00 0.00 C ATOM 1379 SD MET A 91 0.987 -15.232 -0.815 1.00 0.00 S ATOM 1380 CE MET A 91 -0.705 -15.302 -0.233 1.00 0.00 C ATOM 0 H MET A 91 3.900 -13.878 -5.334 1.00 0.00 H new ATOM 0 HA MET A 91 3.521 -15.125 -2.760 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.817 -13.339 -2.648 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.173 -13.833 -4.201 1.00 0.00 H new ATOM 0 HG2 MET A 91 -0.303 -14.909 -2.808 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.888 -16.179 -3.013 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.714 -15.337 0.856 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.243 -14.417 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.189 -16.195 -0.629 1.00 0.00 H new ATOM 1390 N TYR A 92 2.781 -17.194 -3.974 1.00 0.00 N ATOM 1391 CA TYR A 92 2.600 -18.429 -4.728 1.00 0.00 C ATOM 1392 C TYR A 92 1.191 -18.982 -4.538 1.00 0.00 C ATOM 1393 O TYR A 92 0.526 -19.360 -5.502 1.00 0.00 O ATOM 1394 CB TYR A 92 3.632 -19.472 -4.293 1.00 0.00 C ATOM 1395 CG TYR A 92 5.062 -19.050 -4.545 1.00 0.00 C ATOM 1396 CD1 TYR A 92 5.632 -18.001 -3.835 1.00 0.00 C ATOM 1397 CD2 TYR A 92 5.842 -19.700 -5.493 1.00 0.00 C ATOM 1398 CE1 TYR A 92 6.938 -17.611 -4.062 1.00 0.00 C ATOM 1399 CE2 TYR A 92 7.149 -19.319 -5.725 1.00 0.00 C ATOM 1400 CZ TYR A 92 7.693 -18.274 -5.008 1.00 0.00 C ATOM 1401 OH TYR A 92 8.994 -17.890 -5.238 1.00 0.00 O ATOM 0 H TYR A 92 2.873 -17.324 -2.967 1.00 0.00 H new ATOM 0 HA TYR A 92 2.743 -18.204 -5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 92 3.504 -19.676 -3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 92 3.439 -20.405 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.044 -17.481 -3.093 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.419 -20.517 -6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 92 7.365 -16.792 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.742 -19.837 -6.464 1.00 0.00 H new ATOM 0 HH TYR A 92 9.385 -18.459 -5.933 1.00 0.00 H new ATOM 1411 N ALA A 93 0.742 -19.024 -3.288 1.00 0.00 N ATOM 1412 CA ALA A 93 -0.589 -19.527 -2.971 1.00 0.00 C ATOM 1413 C ALA A 93 -1.657 -18.482 -3.273 1.00 0.00 C ATOM 1414 O ALA A 93 -1.345 -17.325 -3.555 1.00 0.00 O ATOM 1415 CB ALA A 93 -0.659 -19.950 -1.511 1.00 0.00 C ATOM 0 H ALA A 93 1.280 -18.716 -2.478 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.781 -20.397 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.658 -20.324 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.072 -20.736 -1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.441 -19.093 -0.873 1.00 0.00 H new ATOM 1421 N SER A 94 -2.918 -18.897 -3.212 1.00 0.00 N ATOM 1422 CA SER A 94 -4.033 -17.997 -3.483 1.00 0.00 C ATOM 1423 C SER A 94 -4.554 -17.372 -2.192 1.00 0.00 C ATOM 1424 O SER A 94 -4.529 -17.998 -1.132 1.00 0.00 O ATOM 1425 CB SER A 94 -5.163 -18.750 -4.190 1.00 0.00 C ATOM 1426 OG SER A 94 -6.319 -17.940 -4.308 1.00 0.00 O ATOM 0 H SER A 94 -3.193 -19.851 -2.977 1.00 0.00 H new ATOM 0 HA SER A 94 -3.674 -17.199 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.832 -19.063 -5.180 1.00 0.00 H new ATOM 0 HB3 SER A 94 -5.405 -19.656 -3.634 1.00 0.00 H new ATOM 0 HG SER A 94 -7.026 -18.443 -4.764 1.00 0.00 H new ATOM 1432 N TYR A 95 -5.024 -16.134 -2.291 1.00 0.00 N ATOM 1433 CA TYR A 95 -5.549 -15.421 -1.131 1.00 0.00 C ATOM 1434 C TYR A 95 -7.028 -15.098 -1.314 1.00 0.00 C ATOM 1435 O TYR A 95 -7.482 -14.812 -2.422 1.00 0.00 O ATOM 1436 CB TYR A 95 -4.759 -14.133 -0.899 1.00 0.00 C ATOM 1437 CG TYR A 95 -4.625 -13.272 -2.135 1.00 0.00 C ATOM 1438 CD1 TYR A 95 -5.702 -12.534 -2.610 1.00 0.00 C ATOM 1439 CD2 TYR A 95 -3.424 -13.198 -2.828 1.00 0.00 C ATOM 1440 CE1 TYR A 95 -5.586 -11.747 -3.740 1.00 0.00 C ATOM 1441 CE2 TYR A 95 -3.297 -12.413 -3.957 1.00 0.00 C ATOM 1442 CZ TYR A 95 -4.381 -11.689 -4.409 1.00 0.00 C ATOM 1443 OH TYR A 95 -4.260 -10.907 -5.535 1.00 0.00 O ATOM 0 H TYR A 95 -5.053 -15.603 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.442 -16.067 -0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.247 -13.554 -0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.764 -14.388 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.646 -12.576 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.574 -13.765 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.434 -11.181 -4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.355 -12.366 -4.483 1.00 0.00 H new ATOM 0 HH TYR A 95 -4.046 -11.474 -6.305 1.00 0.00 H new ATOM 1453 N LYS A 96 -7.777 -15.146 -0.217 1.00 0.00 N ATOM 1454 CA LYS A 96 -9.206 -14.857 -0.253 1.00 0.00 C ATOM 1455 C LYS A 96 -9.484 -13.431 0.212 1.00 0.00 C ATOM 1456 O LYS A 96 -10.156 -12.664 -0.476 1.00 0.00 O ATOM 1457 CB LYS A 96 -9.970 -15.850 0.626 1.00 0.00 C ATOM 1458 CG LYS A 96 -9.937 -17.276 0.104 1.00 0.00 C ATOM 1459 CD LYS A 96 -10.028 -18.286 1.235 1.00 0.00 C ATOM 1460 CE LYS A 96 -11.407 -18.284 1.875 1.00 0.00 C ATOM 1461 NZ LYS A 96 -11.754 -19.613 2.449 1.00 0.00 N ATOM 0 H LYS A 96 -7.418 -15.382 0.708 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.546 -14.957 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.550 -15.830 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.008 -15.526 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -10.764 -17.430 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.016 -17.438 -0.456 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -9.804 -19.282 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -9.275 -18.057 1.990 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.442 -17.529 2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.152 -18.004 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.701 -19.570 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.746 -20.330 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.057 -19.869 3.178 1.00 0.00 H new ATOM 1475 N ASN A 97 -8.962 -13.083 1.384 1.00 0.00 N ATOM 1476 CA ASN A 97 -9.154 -11.748 1.940 1.00 0.00 C ATOM 1477 C ASN A 97 -7.814 -11.099 2.271 1.00 0.00 C ATOM 1478 O ASN A 97 -7.022 -11.643 3.043 1.00 0.00 O ATOM 1479 CB ASN A 97 -10.025 -11.817 3.196 1.00 0.00 C ATOM 1480 CG ASN A 97 -9.323 -12.509 4.349 1.00 0.00 C ATOM 1481 OD1 ASN A 97 -9.002 -11.747 5.388 1.00 0.00 O flip ATOM 1482 ND2 ASN A 97 -9.073 -13.713 4.305 1.00 0.00 N flip ATOM 0 H ASN A 97 -8.403 -13.706 1.967 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.657 -11.138 1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.304 -10.807 3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -10.949 -12.348 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.338 -14.259 3.486 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.600 -14.165 5.088 1.00 0.00 H new ATOM 1489 N LEU A 98 -7.566 -9.934 1.684 1.00 0.00 N ATOM 1490 CA LEU A 98 -6.322 -9.209 1.917 1.00 0.00 C ATOM 1491 C LEU A 98 -6.594 -7.735 2.198 1.00 0.00 C ATOM 1492 O LEU A 98 -7.523 -7.147 1.642 1.00 0.00 O ATOM 1493 CB LEU A 98 -5.394 -9.347 0.708 1.00 0.00 C ATOM 1494 CG LEU A 98 -4.723 -10.709 0.529 1.00 0.00 C ATOM 1495 CD1 LEU A 98 -3.866 -10.720 -0.727 1.00 0.00 C ATOM 1496 CD2 LEU A 98 -3.886 -11.056 1.751 1.00 0.00 C ATOM 0 H LEU A 98 -8.210 -9.471 1.043 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.837 -9.642 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.968 -9.126 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.615 -8.588 0.784 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.501 -11.465 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.396 -11.697 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.492 -10.517 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.095 -9.954 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.416 -12.029 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.115 -10.298 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.526 -11.090 2.633 1.00 0.00 H new ATOM 1508 N LYS A 99 -5.779 -7.142 3.063 1.00 0.00 N ATOM 1509 CA LYS A 99 -5.928 -5.735 3.416 1.00 0.00 C ATOM 1510 C LYS A 99 -4.674 -4.946 3.052 1.00 0.00 C ATOM 1511 O LYS A 99 -3.564 -5.478 3.081 1.00 0.00 O ATOM 1512 CB LYS A 99 -6.219 -5.591 4.911 1.00 0.00 C ATOM 1513 CG LYS A 99 -5.831 -4.237 5.479 1.00 0.00 C ATOM 1514 CD LYS A 99 -6.470 -3.998 6.836 1.00 0.00 C ATOM 1515 CE LYS A 99 -6.093 -5.086 7.829 1.00 0.00 C ATOM 1516 NZ LYS A 99 -6.207 -4.616 9.238 1.00 0.00 N ATOM 0 H LYS A 99 -5.007 -7.615 3.533 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.766 -5.331 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.283 -5.756 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.683 -6.370 5.453 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.747 -4.177 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.136 -3.451 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.156 -3.028 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.554 -3.963 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.739 -5.952 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.071 -5.414 7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.941 -5.387 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.572 -3.806 9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.187 -4.327 9.429 1.00 0.00 H new ATOM 1530 N VAL A 100 -4.858 -3.674 2.712 1.00 0.00 N ATOM 1531 CA VAL A 100 -3.741 -2.812 2.346 1.00 0.00 C ATOM 1532 C VAL A 100 -3.697 -1.567 3.226 1.00 0.00 C ATOM 1533 O VAL A 100 -4.694 -0.858 3.365 1.00 0.00 O ATOM 1534 CB VAL A 100 -3.825 -2.381 0.870 1.00 0.00 C ATOM 1535 CG1 VAL A 100 -2.683 -1.439 0.523 1.00 0.00 C ATOM 1536 CG2 VAL A 100 -3.819 -3.599 -0.041 1.00 0.00 C ATOM 0 H VAL A 100 -5.770 -3.218 2.683 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.831 -3.392 2.496 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.763 -1.847 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.759 -1.145 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.739 -0.552 1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.731 -1.944 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -3.879 -3.276 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.899 -4.163 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.675 -4.232 0.192 1.00 0.00 H new ATOM 1546 N GLU A 101 -2.535 -1.307 3.816 1.00 0.00 N ATOM 1547 CA GLU A 101 -2.362 -0.147 4.683 1.00 0.00 C ATOM 1548 C GLU A 101 -1.200 0.720 4.205 1.00 0.00 C ATOM 1549 O GLU A 101 -0.088 0.230 4.005 1.00 0.00 O ATOM 1550 CB GLU A 101 -2.120 -0.593 6.126 1.00 0.00 C ATOM 1551 CG GLU A 101 -3.396 -0.742 6.939 1.00 0.00 C ATOM 1552 CD GLU A 101 -3.171 -0.526 8.423 1.00 0.00 C ATOM 1553 OE1 GLU A 101 -2.081 -0.885 8.915 1.00 0.00 O ATOM 1554 OE2 GLU A 101 -4.085 0.000 9.091 1.00 0.00 O ATOM 0 H GLU A 101 -1.700 -1.883 3.710 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.276 0.445 4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.590 -1.546 6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.469 0.130 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.137 -0.027 6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.810 -1.738 6.779 1.00 0.00 H new ATOM 1561 N ILE A 102 -1.467 2.009 4.025 1.00 0.00 N ATOM 1562 CA ILE A 102 -0.444 2.944 3.572 1.00 0.00 C ATOM 1563 C ILE A 102 -0.352 4.149 4.501 1.00 0.00 C ATOM 1564 O ILE A 102 -1.228 5.014 4.503 1.00 0.00 O ATOM 1565 CB ILE A 102 -0.725 3.434 2.139 1.00 0.00 C ATOM 1566 CG1 ILE A 102 -0.952 2.244 1.204 1.00 0.00 C ATOM 1567 CG2 ILE A 102 0.425 4.296 1.639 1.00 0.00 C ATOM 1568 CD1 ILE A 102 -2.370 1.718 1.229 1.00 0.00 C ATOM 0 H ILE A 102 -2.382 2.430 4.186 1.00 0.00 H new ATOM 0 HA ILE A 102 0.504 2.406 3.584 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.630 4.041 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.701 2.540 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.270 1.440 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.212 4.635 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.543 5.160 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.345 3.712 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -2.458 0.876 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.619 1.391 2.239 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.056 2.508 0.924 1.00 0.00 H new ATOM 1580 N LYS A 103 0.717 4.201 5.288 1.00 0.00 N ATOM 1581 CA LYS A 103 0.928 5.302 6.221 1.00 0.00 C ATOM 1582 C LYS A 103 2.157 6.117 5.831 1.00 0.00 C ATOM 1583 O LYS A 103 3.063 5.614 5.167 1.00 0.00 O ATOM 1584 CB LYS A 103 1.089 4.768 7.646 1.00 0.00 C ATOM 1585 CG LYS A 103 -0.075 3.908 8.107 1.00 0.00 C ATOM 1586 CD LYS A 103 0.371 2.855 9.108 1.00 0.00 C ATOM 1587 CE LYS A 103 -0.765 2.449 10.033 1.00 0.00 C ATOM 1588 NZ LYS A 103 -0.261 1.859 11.305 1.00 0.00 N ATOM 0 H LYS A 103 1.451 3.493 5.299 1.00 0.00 H new ATOM 0 HA LYS A 103 0.054 5.952 6.180 1.00 0.00 H new ATOM 0 HB2 LYS A 103 2.007 4.184 7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.202 5.609 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.839 4.540 8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.533 3.422 7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.739 1.978 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.202 3.241 9.698 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -1.381 3.320 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.405 1.727 9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.066 1.595 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 0.306 1.013 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 0.329 2.557 11.801 1.00 0.00 H new ATOM 1602 N PHE A 104 2.183 7.378 6.250 1.00 0.00 N ATOM 1603 CA PHE A 104 3.301 8.263 5.945 1.00 0.00 C ATOM 1604 C PHE A 104 3.534 9.257 7.079 1.00 0.00 C ATOM 1605 O PHE A 104 2.626 9.989 7.471 1.00 0.00 O ATOM 1606 CB PHE A 104 3.043 9.015 4.638 1.00 0.00 C ATOM 1607 CG PHE A 104 3.845 10.278 4.504 1.00 0.00 C ATOM 1608 CD1 PHE A 104 5.101 10.257 3.917 1.00 0.00 C ATOM 1609 CD2 PHE A 104 3.345 11.485 4.965 1.00 0.00 C ATOM 1610 CE1 PHE A 104 5.842 11.417 3.792 1.00 0.00 C ATOM 1611 CE2 PHE A 104 4.081 12.648 4.842 1.00 0.00 C ATOM 1612 CZ PHE A 104 5.332 12.614 4.256 1.00 0.00 C ATOM 0 H PHE A 104 1.442 7.810 6.802 1.00 0.00 H new ATOM 0 HA PHE A 104 4.196 7.650 5.833 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.272 8.358 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 104 1.983 9.259 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.505 9.324 3.553 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.369 11.517 5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.819 11.388 3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.679 13.583 5.204 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.910 13.521 4.161 1.00 0.00 H new ATOM 1622 N GLN A 105 4.756 9.274 7.601 1.00 0.00 N ATOM 1623 CA GLN A 105 5.108 10.176 8.691 1.00 0.00 C ATOM 1624 C GLN A 105 4.101 10.070 9.832 1.00 0.00 C ATOM 1625 O GLN A 105 3.911 11.016 10.596 1.00 0.00 O ATOM 1626 CB GLN A 105 5.174 11.619 8.186 1.00 0.00 C ATOM 1627 CG GLN A 105 6.548 12.023 7.678 1.00 0.00 C ATOM 1628 CD GLN A 105 6.743 13.526 7.653 1.00 0.00 C ATOM 1629 OE1 GLN A 105 6.068 14.263 8.373 1.00 0.00 O ATOM 1630 NE2 GLN A 105 7.669 13.990 6.822 1.00 0.00 N ATOM 0 H GLN A 105 5.519 8.674 7.287 1.00 0.00 H new ATOM 0 HA GLN A 105 6.089 9.885 9.068 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.447 11.748 7.384 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.882 12.291 8.993 1.00 0.00 H new ATOM 0 HG2 GLN A 105 7.312 11.572 8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.691 11.625 6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 105 8.205 13.343 6.244 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.844 14.993 6.762 1.00 0.00 H new ATOM 1639 N GLY A 106 3.458 8.912 9.942 1.00 0.00 N ATOM 1640 CA GLY A 106 2.478 8.704 10.992 1.00 0.00 C ATOM 1641 C GLY A 106 1.105 9.224 10.615 1.00 0.00 C ATOM 1642 O GLY A 106 0.449 9.893 11.413 1.00 0.00 O ATOM 0 H GLY A 106 3.598 8.114 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.411 7.639 11.216 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.814 9.201 11.902 1.00 0.00 H new ATOM 1646 N GLN A 107 0.672 8.918 9.397 1.00 0.00 N ATOM 1647 CA GLN A 107 -0.631 9.363 8.916 1.00 0.00 C ATOM 1648 C GLN A 107 -0.985 8.684 7.597 1.00 0.00 C ATOM 1649 O GLN A 107 -0.221 8.741 6.633 1.00 0.00 O ATOM 1650 CB GLN A 107 -0.642 10.882 8.741 1.00 0.00 C ATOM 1651 CG GLN A 107 -0.281 11.335 7.335 1.00 0.00 C ATOM 1652 CD GLN A 107 -0.320 12.843 7.180 1.00 0.00 C ATOM 1653 OE1 GLN A 107 -1.353 13.416 6.832 1.00 0.00 O ATOM 1654 NE2 GLN A 107 0.808 13.494 7.438 1.00 0.00 N ATOM 0 H GLN A 107 1.203 8.364 8.725 1.00 0.00 H new ATOM 0 HA GLN A 107 -1.379 9.085 9.659 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.632 11.261 8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.059 11.326 9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.717 10.974 7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -0.971 10.882 6.623 1.00 0.00 H new ATOM 0 HE21 GLN A 107 1.640 12.978 7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.842 14.510 7.351 1.00 0.00 H new ATOM 1663 N HIS A 108 -2.148 8.042 7.561 1.00 0.00 N ATOM 1664 CA HIS A 108 -2.604 7.352 6.359 1.00 0.00 C ATOM 1665 C HIS A 108 -2.677 8.313 5.176 1.00 0.00 C ATOM 1666 O HIS A 108 -2.684 9.531 5.352 1.00 0.00 O ATOM 1667 CB HIS A 108 -3.972 6.714 6.599 1.00 0.00 C ATOM 1668 CG HIS A 108 -3.937 5.561 7.554 1.00 0.00 C ATOM 1669 ND1 HIS A 108 -4.412 4.306 7.237 1.00 0.00 N ATOM 1670 CD2 HIS A 108 -3.477 5.478 8.824 1.00 0.00 C ATOM 1671 CE1 HIS A 108 -4.248 3.501 8.271 1.00 0.00 C ATOM 1672 NE2 HIS A 108 -3.682 4.188 9.248 1.00 0.00 N ATOM 0 H HIS A 108 -2.792 7.985 8.350 1.00 0.00 H new ATOM 0 HA HIS A 108 -1.883 6.569 6.124 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.655 7.472 6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -4.377 6.373 5.646 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.032 6.278 9.397 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -4.529 2.459 8.311 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -3.437 3.820 10.167 1.00 0.00 H new ATOM 1681 N VAL A 109 -2.731 7.756 3.970 1.00 0.00 N ATOM 1682 CA VAL A 109 -2.805 8.563 2.758 1.00 0.00 C ATOM 1683 C VAL A 109 -4.139 8.367 2.047 1.00 0.00 C ATOM 1684 O VAL A 109 -4.721 9.317 1.525 1.00 0.00 O ATOM 1685 CB VAL A 109 -1.661 8.220 1.785 1.00 0.00 C ATOM 1686 CG1 VAL A 109 -1.817 8.993 0.484 1.00 0.00 C ATOM 1687 CG2 VAL A 109 -0.312 8.506 2.427 1.00 0.00 C ATOM 0 H VAL A 109 -2.725 6.749 3.807 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.711 9.605 3.065 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.709 7.156 1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.000 8.738 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.767 8.733 0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.796 10.063 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.485 8.258 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.250 9.563 2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.203 7.903 3.328 1.00 0.00 H new ATOM 1697 N ALA A 110 -4.618 7.127 2.031 1.00 0.00 N ATOM 1698 CA ALA A 110 -5.885 6.806 1.386 1.00 0.00 C ATOM 1699 C ALA A 110 -6.908 6.311 2.402 1.00 0.00 C ATOM 1700 O ALA A 110 -6.659 6.326 3.608 1.00 0.00 O ATOM 1701 CB ALA A 110 -5.674 5.764 0.297 1.00 0.00 C ATOM 0 H ALA A 110 -4.148 6.329 2.457 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.274 7.717 0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.629 5.534 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.983 6.154 -0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.259 4.857 0.737 1.00 0.00 H new ATOM 1707 N LYS A 111 -8.061 5.873 1.909 1.00 0.00 N ATOM 1708 CA LYS A 111 -9.123 5.373 2.773 1.00 0.00 C ATOM 1709 C LYS A 111 -8.608 4.259 3.680 1.00 0.00 C ATOM 1710 O LYS A 111 -9.263 3.885 4.652 1.00 0.00 O ATOM 1711 CB LYS A 111 -10.294 4.859 1.932 1.00 0.00 C ATOM 1712 CG LYS A 111 -11.073 3.736 2.595 1.00 0.00 C ATOM 1713 CD LYS A 111 -11.830 4.227 3.817 1.00 0.00 C ATOM 1714 CE LYS A 111 -13.099 4.967 3.426 1.00 0.00 C ATOM 1715 NZ LYS A 111 -13.829 5.484 4.617 1.00 0.00 N ATOM 0 H LYS A 111 -8.284 5.854 0.914 1.00 0.00 H new ATOM 0 HA LYS A 111 -9.466 6.197 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -10.972 5.687 1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.915 4.509 0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.775 3.307 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.388 2.940 2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.083 3.380 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.189 4.886 4.403 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -12.847 5.797 2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.750 4.299 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.688 5.982 4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.092 4.690 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.217 6.142 5.141 1.00 0.00 H new ATOM 1729 N SER A 112 -7.431 3.735 3.355 1.00 0.00 N ATOM 1730 CA SER A 112 -6.829 2.662 4.138 1.00 0.00 C ATOM 1731 C SER A 112 -7.158 2.822 5.620 1.00 0.00 C ATOM 1732 O SER A 112 -7.367 3.928 6.120 1.00 0.00 O ATOM 1733 CB SER A 112 -5.312 2.646 3.940 1.00 0.00 C ATOM 1734 OG SER A 112 -4.978 2.680 2.563 1.00 0.00 O ATOM 0 H SER A 112 -6.875 4.036 2.555 1.00 0.00 H new ATOM 0 HA SER A 112 -7.243 1.715 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 112 -4.867 3.502 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.892 1.750 4.398 1.00 0.00 H new ATOM 0 HG SER A 112 -5.718 2.311 2.038 1.00 0.00 H new ATOM 1740 N PRO A 113 -7.205 1.691 6.339 1.00 0.00 N ATOM 1741 CA PRO A 113 -6.959 0.370 5.755 1.00 0.00 C ATOM 1742 C PRO A 113 -8.078 -0.066 4.815 1.00 0.00 C ATOM 1743 O PRO A 113 -9.250 0.226 5.052 1.00 0.00 O ATOM 1744 CB PRO A 113 -6.897 -0.552 6.975 1.00 0.00 C ATOM 1745 CG PRO A 113 -7.702 0.144 8.017 1.00 0.00 C ATOM 1746 CD PRO A 113 -7.504 1.616 7.779 1.00 0.00 C ATOM 0 HA PRO A 113 -6.055 0.356 5.147 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.308 -1.536 6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.869 -0.704 7.305 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.755 -0.125 7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.373 -0.137 9.017 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.396 2.188 8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.687 2.014 8.380 1.00 0.00 H new ATOM 1754 N TYR A 114 -7.709 -0.766 3.748 1.00 0.00 N ATOM 1755 CA TYR A 114 -8.682 -1.240 2.771 1.00 0.00 C ATOM 1756 C TYR A 114 -9.050 -2.697 3.032 1.00 0.00 C ATOM 1757 O TYR A 114 -8.218 -3.594 2.889 1.00 0.00 O ATOM 1758 CB TYR A 114 -8.128 -1.088 1.353 1.00 0.00 C ATOM 1759 CG TYR A 114 -8.194 0.327 0.826 1.00 0.00 C ATOM 1760 CD1 TYR A 114 -9.416 0.942 0.581 1.00 0.00 C ATOM 1761 CD2 TYR A 114 -7.035 1.050 0.571 1.00 0.00 C ATOM 1762 CE1 TYR A 114 -9.481 2.235 0.098 1.00 0.00 C ATOM 1763 CE2 TYR A 114 -7.090 2.343 0.090 1.00 0.00 C ATOM 1764 CZ TYR A 114 -8.316 2.932 -0.145 1.00 0.00 C ATOM 1765 OH TYR A 114 -8.375 4.219 -0.626 1.00 0.00 O ATOM 0 H TYR A 114 -6.743 -1.018 3.538 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.582 -0.634 2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.091 -1.424 1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -8.684 -1.743 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.331 0.400 0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -6.074 0.592 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -10.439 2.697 -0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.179 2.890 -0.101 1.00 0.00 H new ATOM 0 HH TYR A 114 -9.181 4.327 -1.172 1.00 0.00 H new ATOM 1775 N ILE A 115 -10.302 -2.925 3.414 1.00 0.00 N ATOM 1776 CA ILE A 115 -10.782 -4.273 3.693 1.00 0.00 C ATOM 1777 C ILE A 115 -11.412 -4.900 2.455 1.00 0.00 C ATOM 1778 O ILE A 115 -12.428 -4.420 1.951 1.00 0.00 O ATOM 1779 CB ILE A 115 -11.812 -4.278 4.838 1.00 0.00 C ATOM 1780 CG1 ILE A 115 -11.331 -3.394 5.991 1.00 0.00 C ATOM 1781 CG2 ILE A 115 -12.060 -5.699 5.321 1.00 0.00 C ATOM 1782 CD1 ILE A 115 -10.032 -3.862 6.609 1.00 0.00 C ATOM 0 H ILE A 115 -11.002 -2.194 3.537 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.914 -4.861 3.993 1.00 0.00 H new ATOM 0 HB ILE A 115 -12.752 -3.873 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -11.205 -2.374 5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -12.101 -3.365 6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -12.790 -5.686 6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -12.442 -6.302 4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -11.126 -6.129 5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -9.751 -3.189 7.419 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -10.159 -4.871 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -9.249 -3.864 5.851 1.00 0.00 H new ATOM 1794 N LEU A 116 -10.803 -5.976 1.968 1.00 0.00 N ATOM 1795 CA LEU A 116 -11.305 -6.671 0.788 1.00 0.00 C ATOM 1796 C LEU A 116 -11.536 -8.150 1.084 1.00 0.00 C ATOM 1797 O LEU A 116 -10.602 -8.951 1.065 1.00 0.00 O ATOM 1798 CB LEU A 116 -10.323 -6.520 -0.374 1.00 0.00 C ATOM 1799 CG LEU A 116 -10.127 -5.100 -0.907 1.00 0.00 C ATOM 1800 CD1 LEU A 116 -8.987 -4.408 -0.175 1.00 0.00 C ATOM 1801 CD2 LEU A 116 -9.864 -5.123 -2.405 1.00 0.00 C ATOM 0 H LEU A 116 -9.961 -6.386 2.372 1.00 0.00 H new ATOM 0 HA LEU A 116 -12.258 -6.221 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.354 -6.904 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.663 -7.151 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 116 -11.043 -4.536 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -8.862 -3.399 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.216 -4.358 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.065 -4.971 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -9.727 -4.104 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -8.964 -5.704 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.712 -5.578 -2.916 1.00 0.00 H new ATOM 1813 N LYS A 117 -12.787 -8.505 1.357 1.00 0.00 N ATOM 1814 CA LYS A 117 -13.143 -9.887 1.654 1.00 0.00 C ATOM 1815 C LYS A 117 -14.142 -10.423 0.633 1.00 0.00 C ATOM 1816 O LYS A 117 -14.990 -9.685 0.133 1.00 0.00 O ATOM 1817 CB LYS A 117 -13.731 -9.993 3.063 1.00 0.00 C ATOM 1818 CG LYS A 117 -15.003 -9.184 3.253 1.00 0.00 C ATOM 1819 CD LYS A 117 -15.601 -9.402 4.633 1.00 0.00 C ATOM 1820 CE LYS A 117 -16.655 -8.355 4.955 1.00 0.00 C ATOM 1821 NZ LYS A 117 -17.241 -8.556 6.309 1.00 0.00 N ATOM 0 H LYS A 117 -13.572 -7.854 1.379 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.236 -10.489 1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -13.940 -11.040 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.986 -9.658 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -14.786 -8.125 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -15.731 -9.464 2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.046 -10.396 4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -14.811 -9.367 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.210 -7.362 4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -17.447 -8.395 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.955 -7.822 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.688 -9.494 6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.490 -8.493 7.025 1.00 0.00 H new