USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 745 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 68 HIS :FLIP no HE2:sc= -0.828 F(o=-2.5,f=-0.91) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -152:sc= -0.0803 (180deg=-0.644) USER MOD Set 2.1: A 76 HIS : no HD1:sc= -0.032 X(o=-0.22,f=-0.24) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 176:sc= -0.191 (180deg=-0.228) USER MOD Set 3.1: A 48 ASN : amide:sc= -0.943 X(o=-1.1,f=-1.3!) USER MOD Set 3.2: A 50 HIS : no HD1:sc= -0.193 X(o=-1.1,f=-1.1) USER MOD Set 4.1: A 11 HIS : no HD1:sc= -0.172 X(o=-6.9,f=-7.4) USER MOD Set 4.2: A 12 GLN : amide:sc= -6.74! C(o=-6.9!,f=-17!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -115:sc= -1.52! USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.426 F(o=-1.3,f=-0.43) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -115:sc= -3.12! (180deg=-7.49!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 150:sc= -0.379 (180deg=-1.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0265 X(o=-0.026,f=-0.00085) USER MOD Single : A 58 ASN : amide:sc= -0.757 X(o=-0.76,f=-0.53) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -66:sc= 0.588 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 140:sc= -0.174 USER MOD Single : A 70 MET CE :methyl -157:sc= -17! (180deg=-20.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 156:sc= -3.27! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.0355 X(o=-0.036,f=-0.036) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 42 N TRP A 3 9.267 5.564 8.673 1.00 0.00 N ATOM 43 CA TRP A 3 8.214 4.931 7.883 1.00 0.00 C ATOM 44 C TRP A 3 6.835 5.410 8.327 1.00 0.00 C ATOM 45 O TRP A 3 6.115 6.046 7.557 1.00 0.00 O ATOM 46 CB TRP A 3 8.297 3.403 7.975 1.00 0.00 C ATOM 47 CG TRP A 3 8.782 2.897 9.299 1.00 0.00 C ATOM 48 CD1 TRP A 3 10.050 2.983 9.796 1.00 0.00 C ATOM 49 CD2 TRP A 3 8.007 2.216 10.291 1.00 0.00 C ATOM 50 NE1 TRP A 3 10.110 2.403 11.040 1.00 0.00 N ATOM 51 CE2 TRP A 3 8.868 1.924 11.366 1.00 0.00 C ATOM 52 CE3 TRP A 3 6.667 1.827 10.375 1.00 0.00 C ATOM 53 CZ2 TRP A 3 8.431 1.261 12.510 1.00 0.00 C ATOM 54 CZ3 TRP A 3 6.235 1.169 11.511 1.00 0.00 C ATOM 55 CH2 TRP A 3 7.114 0.892 12.566 1.00 0.00 C ATOM 0 HA TRP A 3 8.364 5.222 6.843 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.311 2.983 7.777 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.962 3.038 7.192 1.00 0.00 H new ATOM 0 HD1 TRP A 3 10.885 3.440 9.286 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.943 2.339 11.625 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.982 2.037 9.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 9.107 1.046 13.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 5.202 0.863 11.587 1.00 0.00 H new ATOM 0 HH2 TRP A 3 6.745 0.377 13.441 1.00 0.00 H new ATOM 66 N TYR A 4 6.470 5.105 9.568 1.00 0.00 N ATOM 67 CA TYR A 4 5.173 5.514 10.098 1.00 0.00 C ATOM 68 C TYR A 4 5.236 6.936 10.651 1.00 0.00 C ATOM 69 O TYR A 4 5.910 7.200 11.647 1.00 0.00 O ATOM 70 CB TYR A 4 4.695 4.532 11.177 1.00 0.00 C ATOM 71 CG TYR A 4 5.331 4.737 12.537 1.00 0.00 C ATOM 72 CD1 TYR A 4 6.560 4.169 12.847 1.00 0.00 C ATOM 73 CD2 TYR A 4 4.697 5.500 13.510 1.00 0.00 C ATOM 74 CE1 TYR A 4 7.139 4.355 14.088 1.00 0.00 C ATOM 75 CE2 TYR A 4 5.271 5.691 14.753 1.00 0.00 C ATOM 76 CZ TYR A 4 6.491 5.116 15.037 1.00 0.00 C ATOM 77 OH TYR A 4 7.065 5.304 16.273 1.00 0.00 O ATOM 0 H TYR A 4 7.049 4.579 10.222 1.00 0.00 H new ATOM 0 HA TYR A 4 4.452 5.501 9.280 1.00 0.00 H new ATOM 0 HB2 TYR A 4 3.613 4.621 11.278 1.00 0.00 H new ATOM 0 HB3 TYR A 4 4.901 3.515 10.843 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.071 3.572 12.106 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.740 5.951 13.292 1.00 0.00 H new ATOM 0 HE1 TYR A 4 8.095 3.906 14.313 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.766 6.288 15.498 1.00 0.00 H new ATOM 0 HH TYR A 4 6.480 5.865 16.823 1.00 0.00 H new ATOM 129 N VAL A 8 4.942 8.190 3.909 1.00 0.00 N ATOM 130 CA VAL A 8 5.804 7.063 3.573 1.00 0.00 C ATOM 131 C VAL A 8 6.164 7.062 2.092 1.00 0.00 C ATOM 132 O VAL A 8 7.235 7.516 1.698 1.00 0.00 O ATOM 133 CB VAL A 8 5.154 5.714 3.959 1.00 0.00 C ATOM 134 CG1 VAL A 8 6.223 4.677 4.268 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.217 5.890 5.145 1.00 0.00 C ATOM 0 HA VAL A 8 6.719 7.181 4.153 1.00 0.00 H new ATOM 0 HB VAL A 8 4.567 5.360 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.748 3.734 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.851 4.529 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.837 5.024 5.099 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.770 4.930 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.779 6.268 5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.431 6.599 4.885 1.00 0.00 H new ATOM 145 N THR A 9 5.259 6.555 1.281 1.00 0.00 N ATOM 146 CA THR A 9 5.461 6.486 -0.163 1.00 0.00 C ATOM 147 C THR A 9 5.893 7.835 -0.738 1.00 0.00 C ATOM 148 O THR A 9 6.069 8.804 0.001 1.00 0.00 O ATOM 149 CB THR A 9 4.181 5.989 -0.843 1.00 0.00 C ATOM 150 OG1 THR A 9 3.435 5.170 0.040 1.00 0.00 O ATOM 151 CG2 THR A 9 4.438 5.181 -2.090 1.00 0.00 C ATOM 0 H THR A 9 4.365 6.179 1.596 1.00 0.00 H new ATOM 0 HA THR A 9 6.267 5.780 -0.361 1.00 0.00 H new ATOM 0 HB THR A 9 3.634 6.891 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.400 4.256 -0.312 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.488 4.862 -2.519 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.976 5.792 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.035 4.305 -1.839 1.00 0.00 H new ATOM 159 N ARG A 10 6.077 7.894 -2.056 1.00 0.00 N ATOM 160 CA ARG A 10 6.502 9.124 -2.714 1.00 0.00 C ATOM 161 C ARG A 10 7.970 9.394 -2.412 1.00 0.00 C ATOM 162 O ARG A 10 8.793 9.523 -3.318 1.00 0.00 O ATOM 163 CB ARG A 10 5.619 10.301 -2.270 1.00 0.00 C ATOM 164 CG ARG A 10 6.376 11.483 -1.675 1.00 0.00 C ATOM 165 CD ARG A 10 5.474 12.694 -1.504 1.00 0.00 C ATOM 166 NE ARG A 10 6.184 13.828 -0.915 1.00 0.00 N ATOM 167 CZ ARG A 10 6.524 13.904 0.369 1.00 0.00 C ATOM 168 NH1 ARG A 10 6.220 12.918 1.204 1.00 0.00 N ATOM 169 NH2 ARG A 10 7.171 14.970 0.822 1.00 0.00 N ATOM 0 H ARG A 10 5.938 7.104 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 10 6.389 9.010 -3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.046 10.650 -3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.901 9.940 -1.533 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.793 11.200 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.215 11.741 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.069 12.984 -2.474 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.627 12.429 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 10 6.433 14.607 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.723 12.096 0.862 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.484 12.983 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.408 15.731 0.186 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.432 15.028 1.806 1.00 0.00 H new ATOM 183 N HIS A 11 8.285 9.462 -1.128 1.00 0.00 N ATOM 184 CA HIS A 11 9.649 9.700 -0.686 1.00 0.00 C ATOM 185 C HIS A 11 10.291 8.389 -0.242 1.00 0.00 C ATOM 186 O HIS A 11 11.373 8.028 -0.709 1.00 0.00 O ATOM 187 CB HIS A 11 9.669 10.727 0.453 1.00 0.00 C ATOM 188 CG HIS A 11 10.965 10.778 1.205 1.00 0.00 C ATOM 189 ND1 HIS A 11 12.194 10.612 0.602 1.00 0.00 N ATOM 190 CD2 HIS A 11 11.218 10.976 2.521 1.00 0.00 C ATOM 191 CE1 HIS A 11 13.146 10.705 1.513 1.00 0.00 C ATOM 192 NE2 HIS A 11 12.581 10.926 2.685 1.00 0.00 N ATOM 0 H HIS A 11 7.610 9.355 -0.371 1.00 0.00 H new ATOM 0 HA HIS A 11 10.225 10.103 -1.519 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.460 11.715 0.042 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.864 10.496 1.151 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.485 11.142 3.297 1.00 0.00 H new ATOM 0 HE1 HIS A 11 14.207 10.615 1.330 1.00 0.00 H new ATOM 0 HE2 HIS A 11 13.076 11.041 3.569 1.00 0.00 H new ATOM 201 N GLN A 12 9.619 7.671 0.654 1.00 0.00 N ATOM 202 CA GLN A 12 10.134 6.409 1.135 1.00 0.00 C ATOM 203 C GLN A 12 9.896 5.311 0.112 1.00 0.00 C ATOM 204 O GLN A 12 10.682 4.372 0.014 1.00 0.00 O ATOM 205 CB GLN A 12 9.501 6.056 2.476 1.00 0.00 C ATOM 206 CG GLN A 12 9.893 7.022 3.580 1.00 0.00 C ATOM 207 CD GLN A 12 8.994 8.239 3.670 1.00 0.00 C ATOM 208 OE1 GLN A 12 8.830 8.979 2.702 1.00 0.00 O ATOM 209 NE2 GLN A 12 8.419 8.461 4.845 1.00 0.00 N ATOM 0 H GLN A 12 8.722 7.946 1.055 1.00 0.00 H new ATOM 0 HA GLN A 12 11.210 6.503 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.416 6.051 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.799 5.046 2.759 1.00 0.00 H new ATOM 0 HG2 GLN A 12 9.875 6.496 4.535 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.919 7.350 3.416 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.583 7.821 5.622 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.813 9.272 4.971 1.00 0.00 H new ATOM 218 N ALA A 13 8.817 5.430 -0.663 1.00 0.00 N ATOM 219 CA ALA A 13 8.522 4.428 -1.681 1.00 0.00 C ATOM 220 C ALA A 13 9.727 4.203 -2.582 1.00 0.00 C ATOM 221 O ALA A 13 10.062 3.070 -2.912 1.00 0.00 O ATOM 222 CB ALA A 13 7.326 4.849 -2.503 1.00 0.00 C ATOM 0 H ALA A 13 8.146 6.196 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 13 8.289 3.489 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.119 4.091 -3.258 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.458 4.960 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.537 5.800 -2.992 1.00 0.00 H new ATOM 228 N GLU A 14 10.401 5.282 -2.950 1.00 0.00 N ATOM 229 CA GLU A 14 11.587 5.157 -3.780 1.00 0.00 C ATOM 230 C GLU A 14 12.744 4.728 -2.902 1.00 0.00 C ATOM 231 O GLU A 14 13.394 3.724 -3.159 1.00 0.00 O ATOM 232 CB GLU A 14 11.926 6.461 -4.514 1.00 0.00 C ATOM 233 CG GLU A 14 11.453 7.723 -3.810 1.00 0.00 C ATOM 234 CD GLU A 14 11.830 8.985 -4.561 1.00 0.00 C ATOM 235 OE1 GLU A 14 12.984 9.442 -4.415 1.00 0.00 O ATOM 236 OE2 GLU A 14 10.971 9.517 -5.296 1.00 0.00 O ATOM 0 H GLU A 14 10.153 6.237 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 14 11.394 4.410 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.006 6.518 -4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.484 6.428 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.370 7.685 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.882 7.759 -2.809 1.00 0.00 H new ATOM 243 N CYS A 15 12.972 5.469 -1.828 1.00 0.00 N ATOM 244 CA CYS A 15 14.035 5.126 -0.895 1.00 0.00 C ATOM 245 C CYS A 15 13.864 3.696 -0.367 1.00 0.00 C ATOM 246 O CYS A 15 14.748 3.173 0.311 1.00 0.00 O ATOM 247 CB CYS A 15 14.056 6.114 0.273 1.00 0.00 C ATOM 248 SG CYS A 15 15.707 6.435 0.938 1.00 0.00 S ATOM 0 H CYS A 15 12.441 6.304 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 15 14.983 5.184 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 15 13.618 7.057 -0.055 1.00 0.00 H new ATOM 0 HB3 CYS A 15 13.423 5.729 1.072 1.00 0.00 H new ATOM 0 HG CYS A 15 15.622 7.283 1.920 1.00 0.00 H new ATOM 254 N ALA A 16 12.719 3.069 -0.666 1.00 0.00 N ATOM 255 CA ALA A 16 12.453 1.715 -0.199 1.00 0.00 C ATOM 256 C ALA A 16 12.373 0.703 -1.338 1.00 0.00 C ATOM 257 O ALA A 16 12.783 -0.447 -1.177 1.00 0.00 O ATOM 258 CB ALA A 16 11.156 1.698 0.587 1.00 0.00 C ATOM 0 H ALA A 16 11.971 3.479 -1.225 1.00 0.00 H new ATOM 0 HA ALA A 16 13.290 1.421 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.956 0.685 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 16 11.240 2.368 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.338 2.029 -0.053 1.00 0.00 H new ATOM 264 N LEU A 17 11.854 1.120 -2.488 1.00 0.00 N ATOM 265 CA LEU A 17 11.746 0.216 -3.633 1.00 0.00 C ATOM 266 C LEU A 17 12.448 0.796 -4.848 1.00 0.00 C ATOM 267 O LEU A 17 12.267 0.318 -5.966 1.00 0.00 O ATOM 268 CB LEU A 17 10.290 -0.089 -3.987 1.00 0.00 C ATOM 269 CG LEU A 17 9.259 0.334 -2.955 1.00 0.00 C ATOM 270 CD1 LEU A 17 7.875 -0.088 -3.386 1.00 0.00 C ATOM 271 CD2 LEU A 17 9.591 -0.243 -1.592 1.00 0.00 C ATOM 0 H LEU A 17 11.505 2.064 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 17 12.231 -0.716 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.054 0.402 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.193 -1.162 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 17 9.281 1.421 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.149 0.223 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.633 0.380 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.842 -1.172 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.839 0.074 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.602 -1.331 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.571 0.113 -1.275 1.00 0.00 H new ATOM 283 N ASN A 18 13.251 1.826 -4.620 1.00 0.00 N ATOM 284 CA ASN A 18 13.996 2.479 -5.681 1.00 0.00 C ATOM 285 C ASN A 18 14.616 1.445 -6.603 1.00 0.00 C ATOM 286 O ASN A 18 14.673 1.621 -7.820 1.00 0.00 O ATOM 287 CB ASN A 18 15.100 3.327 -5.073 1.00 0.00 C ATOM 288 CG ASN A 18 15.910 2.571 -4.037 1.00 0.00 C ATOM 289 OD1 ASN A 18 17.041 2.019 -4.459 1.00 0.00 O flip ATOM 290 ND2 ASN A 18 15.522 2.484 -2.872 1.00 0.00 N flip ATOM 0 H ASN A 18 13.402 2.230 -3.696 1.00 0.00 H new ATOM 0 HA ASN A 18 13.314 3.107 -6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 18 15.763 3.676 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.662 4.212 -4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.646 2.925 -2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.077 1.971 -2.187 1.00 0.00 H new ATOM 297 N GLU A 19 15.077 0.361 -5.995 1.00 0.00 N ATOM 298 CA GLU A 19 15.701 -0.730 -6.738 1.00 0.00 C ATOM 299 C GLU A 19 14.785 -1.214 -7.858 1.00 0.00 C ATOM 300 O GLU A 19 15.251 -1.666 -8.904 1.00 0.00 O ATOM 301 CB GLU A 19 16.035 -1.890 -5.799 1.00 0.00 C ATOM 302 CG GLU A 19 17.420 -1.792 -5.181 1.00 0.00 C ATOM 303 CD GLU A 19 18.516 -1.677 -6.223 1.00 0.00 C ATOM 304 OE1 GLU A 19 18.822 -0.540 -6.640 1.00 0.00 O ATOM 305 OE2 GLU A 19 19.068 -2.724 -6.622 1.00 0.00 O ATOM 0 H GLU A 19 15.031 0.211 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 19 16.624 -0.356 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.292 -1.927 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.958 -2.827 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.459 -0.926 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.602 -2.672 -4.563 1.00 0.00 H new ATOM 312 N ARG A 20 13.479 -1.113 -7.624 1.00 0.00 N ATOM 313 CA ARG A 20 12.473 -1.533 -8.598 1.00 0.00 C ATOM 314 C ARG A 20 12.291 -3.042 -8.563 1.00 0.00 C ATOM 315 O ARG A 20 12.752 -3.758 -9.453 1.00 0.00 O ATOM 316 CB ARG A 20 12.850 -1.080 -10.013 1.00 0.00 C ATOM 317 CG ARG A 20 11.675 -1.074 -10.978 1.00 0.00 C ATOM 318 CD ARG A 20 11.757 0.091 -11.952 1.00 0.00 C ATOM 319 NE ARG A 20 12.723 -0.153 -13.021 1.00 0.00 N ATOM 320 CZ ARG A 20 12.558 -1.068 -13.973 1.00 0.00 C ATOM 321 NH1 ARG A 20 11.469 -1.826 -13.994 1.00 0.00 N ATOM 322 NH2 ARG A 20 13.485 -1.226 -14.909 1.00 0.00 N ATOM 0 H ARG A 20 13.089 -0.740 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 20 11.530 -1.058 -8.327 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.276 -0.078 -9.964 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.627 -1.738 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.654 -2.012 -11.533 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.743 -1.015 -10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.773 0.269 -12.387 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.036 0.996 -11.412 1.00 0.00 H new ATOM 0 HE ARG A 20 13.573 0.411 -13.038 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.752 -1.709 -13.278 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.349 -2.526 -14.726 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.324 -0.646 -14.899 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.359 -1.927 -15.639 1.00 0.00 H new ATOM 336 N GLY A 21 11.621 -3.521 -7.522 1.00 0.00 N ATOM 337 CA GLY A 21 11.397 -4.950 -7.384 1.00 0.00 C ATOM 338 C GLY A 21 12.363 -5.583 -6.405 1.00 0.00 C ATOM 339 O GLY A 21 13.248 -6.343 -6.799 1.00 0.00 O ATOM 0 H GLY A 21 11.230 -2.950 -6.773 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.375 -5.126 -7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.501 -5.429 -8.357 1.00 0.00 H new ATOM 343 N VAL A 22 12.201 -5.258 -5.129 1.00 0.00 N ATOM 344 CA VAL A 22 13.074 -5.787 -4.089 1.00 0.00 C ATOM 345 C VAL A 22 12.278 -6.256 -2.873 1.00 0.00 C ATOM 346 O VAL A 22 11.536 -5.483 -2.268 1.00 0.00 O ATOM 347 CB VAL A 22 14.101 -4.729 -3.642 1.00 0.00 C ATOM 348 CG1 VAL A 22 15.208 -4.588 -4.675 1.00 0.00 C ATOM 349 CG2 VAL A 22 13.420 -3.390 -3.396 1.00 0.00 C ATOM 0 H VAL A 22 11.473 -4.630 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 22 13.596 -6.642 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 22 14.549 -5.060 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.923 -3.836 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.717 -5.544 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.779 -4.282 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.162 -2.657 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.942 -3.051 -4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.667 -3.502 -2.615 1.00 0.00 H new ATOM 359 N GLU A 23 12.446 -7.530 -2.519 1.00 0.00 N ATOM 360 CA GLU A 23 11.755 -8.117 -1.369 1.00 0.00 C ATOM 361 C GLU A 23 10.272 -7.744 -1.352 1.00 0.00 C ATOM 362 O GLU A 23 9.738 -7.246 -2.342 1.00 0.00 O ATOM 363 CB GLU A 23 12.429 -7.673 -0.066 1.00 0.00 C ATOM 364 CG GLU A 23 12.223 -6.203 0.264 1.00 0.00 C ATOM 365 CD GLU A 23 12.645 -5.861 1.679 1.00 0.00 C ATOM 366 OE1 GLU A 23 13.861 -5.695 1.912 1.00 0.00 O ATOM 367 OE2 GLU A 23 11.760 -5.759 2.555 1.00 0.00 O ATOM 0 H GLU A 23 13.058 -8.179 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 23 11.822 -9.201 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 23 12.043 -8.277 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.498 -7.874 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.791 -5.593 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.172 -5.948 0.130 1.00 0.00 H new ATOM 374 N GLY A 24 9.615 -7.991 -0.220 1.00 0.00 N ATOM 375 CA GLY A 24 8.203 -7.676 -0.093 1.00 0.00 C ATOM 376 C GLY A 24 7.963 -6.471 0.793 1.00 0.00 C ATOM 377 O GLY A 24 7.691 -6.613 1.985 1.00 0.00 O ATOM 0 H GLY A 24 10.037 -8.404 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.784 -7.487 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.676 -8.537 0.317 1.00 0.00 H new ATOM 381 N ASP A 25 8.070 -5.282 0.212 1.00 0.00 N ATOM 382 CA ASP A 25 7.869 -4.048 0.960 1.00 0.00 C ATOM 383 C ASP A 25 6.665 -3.273 0.433 1.00 0.00 C ATOM 384 O ASP A 25 6.534 -3.055 -0.771 1.00 0.00 O ATOM 385 CB ASP A 25 9.125 -3.178 0.882 1.00 0.00 C ATOM 386 CG ASP A 25 9.172 -2.131 1.977 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.559 -1.058 1.799 1.00 0.00 O ATOM 388 OD2 ASP A 25 9.822 -2.385 3.013 1.00 0.00 O ATOM 0 H ASP A 25 8.295 -5.147 -0.774 1.00 0.00 H new ATOM 0 HA ASP A 25 7.675 -4.310 2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.008 -3.813 0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.163 -2.685 -0.090 1.00 0.00 H new ATOM 393 N PHE A 26 5.798 -2.847 1.349 1.00 0.00 N ATOM 394 CA PHE A 26 4.606 -2.085 0.989 1.00 0.00 C ATOM 395 C PHE A 26 4.487 -0.853 1.862 1.00 0.00 C ATOM 396 O PHE A 26 4.935 -0.845 3.009 1.00 0.00 O ATOM 397 CB PHE A 26 3.343 -2.925 1.165 1.00 0.00 C ATOM 398 CG PHE A 26 2.371 -2.855 0.009 1.00 0.00 C ATOM 399 CD1 PHE A 26 2.252 -1.704 -0.744 1.00 0.00 C ATOM 400 CD2 PHE A 26 1.575 -3.946 -0.321 1.00 0.00 C ATOM 401 CE1 PHE A 26 1.367 -1.633 -1.796 1.00 0.00 C ATOM 402 CE2 PHE A 26 0.684 -3.883 -1.376 1.00 0.00 C ATOM 403 CZ PHE A 26 0.578 -2.722 -2.115 1.00 0.00 C ATOM 0 H PHE A 26 5.900 -3.018 2.349 1.00 0.00 H new ATOM 0 HA PHE A 26 4.705 -1.796 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.633 -3.965 1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.832 -2.602 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.863 -0.846 -0.504 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.654 -4.856 0.255 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.289 -0.724 -2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.073 -4.739 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.118 -2.665 -2.939 1.00 0.00 H new ATOM 413 N LEU A 27 3.892 0.189 1.314 1.00 0.00 N ATOM 414 CA LEU A 27 3.733 1.430 2.057 1.00 0.00 C ATOM 415 C LEU A 27 2.587 2.276 1.519 1.00 0.00 C ATOM 416 O LEU A 27 2.482 2.496 0.315 1.00 0.00 O ATOM 417 CB LEU A 27 5.023 2.222 1.970 1.00 0.00 C ATOM 418 CG LEU A 27 5.652 2.227 0.580 1.00 0.00 C ATOM 419 CD1 LEU A 27 6.422 3.513 0.365 1.00 0.00 C ATOM 420 CD2 LEU A 27 6.562 1.021 0.405 1.00 0.00 C ATOM 0 H LEU A 27 3.513 0.205 0.367 1.00 0.00 H new ATOM 0 HA LEU A 27 3.500 1.177 3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.828 3.251 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.739 1.810 2.681 1.00 0.00 H new ATOM 0 HG LEU A 27 4.860 2.166 -0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.868 3.508 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.744 4.362 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.209 3.596 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.003 1.039 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.354 1.052 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.982 0.106 0.528 1.00 0.00 H new ATOM 432 N ILE A 28 1.748 2.773 2.424 1.00 0.00 N ATOM 433 CA ILE A 28 0.629 3.623 2.038 1.00 0.00 C ATOM 434 C ILE A 28 0.661 4.936 2.813 1.00 0.00 C ATOM 435 O ILE A 28 0.907 4.952 4.019 1.00 0.00 O ATOM 436 CB ILE A 28 -0.732 2.922 2.238 1.00 0.00 C ATOM 437 CG1 ILE A 28 -1.867 3.774 1.680 1.00 0.00 C ATOM 438 CG2 ILE A 28 -0.991 2.620 3.701 1.00 0.00 C ATOM 439 CD1 ILE A 28 -3.176 3.022 1.589 1.00 0.00 C ATOM 0 H ILE A 28 1.823 2.602 3.427 1.00 0.00 H new ATOM 0 HA ILE A 28 0.738 3.831 0.974 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.693 1.979 1.694 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.001 4.652 2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.591 4.134 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.957 2.127 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.207 1.966 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.995 3.550 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.946 3.679 1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.055 2.159 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.472 2.685 2.582 1.00 0.00 H new ATOM 451 N ARG A 29 0.437 6.038 2.106 1.00 0.00 N ATOM 452 CA ARG A 29 0.467 7.359 2.724 1.00 0.00 C ATOM 453 C ARG A 29 -0.677 8.232 2.226 1.00 0.00 C ATOM 454 O ARG A 29 -1.212 8.012 1.141 1.00 0.00 O ATOM 455 CB ARG A 29 1.800 8.040 2.420 1.00 0.00 C ATOM 456 CG ARG A 29 2.242 7.870 0.975 1.00 0.00 C ATOM 457 CD ARG A 29 3.473 8.706 0.656 1.00 0.00 C ATOM 458 NE ARG A 29 3.191 10.139 0.697 1.00 0.00 N ATOM 459 CZ ARG A 29 2.536 10.793 -0.259 1.00 0.00 C ATOM 460 NH1 ARG A 29 2.091 10.147 -1.329 1.00 0.00 N ATOM 461 NH2 ARG A 29 2.322 12.097 -0.143 1.00 0.00 N ATOM 0 H ARG A 29 0.233 6.043 1.107 1.00 0.00 H new ATOM 0 HA ARG A 29 0.353 7.230 3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.718 9.103 2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.567 7.633 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.457 6.819 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.427 8.156 0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.264 8.472 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.846 8.439 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 29 3.515 10.669 1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.250 9.144 -1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.590 10.654 -2.059 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.660 12.598 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.820 12.599 -0.876 1.00 0.00 H new ATOM 475 N ASP A 30 -1.041 9.228 3.027 1.00 0.00 N ATOM 476 CA ASP A 30 -2.115 10.144 2.668 1.00 0.00 C ATOM 477 C ASP A 30 -1.576 11.316 1.855 1.00 0.00 C ATOM 478 O ASP A 30 -0.414 11.699 1.996 1.00 0.00 O ATOM 479 CB ASP A 30 -2.816 10.659 3.926 1.00 0.00 C ATOM 480 CG ASP A 30 -3.306 9.535 4.817 1.00 0.00 C ATOM 481 OD1 ASP A 30 -2.541 8.571 5.032 1.00 0.00 O ATOM 482 OD2 ASP A 30 -4.455 9.618 5.301 1.00 0.00 O ATOM 0 H ASP A 30 -0.607 9.421 3.930 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.836 9.601 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.129 11.291 4.488 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.661 11.284 3.637 1.00 0.00 H new ATOM 487 N SER A 31 -2.424 11.883 1.004 1.00 0.00 N ATOM 488 CA SER A 31 -2.027 13.011 0.169 1.00 0.00 C ATOM 489 C SER A 31 -2.361 14.335 0.847 1.00 0.00 C ATOM 490 O SER A 31 -3.395 14.466 1.501 1.00 0.00 O ATOM 491 CB SER A 31 -2.720 12.933 -1.192 1.00 0.00 C ATOM 492 OG SER A 31 -2.102 13.798 -2.130 1.00 0.00 O ATOM 0 H SER A 31 -3.389 11.581 0.874 1.00 0.00 H new ATOM 0 HA SER A 31 -0.948 12.961 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.688 11.908 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.771 13.200 -1.084 1.00 0.00 H new ATOM 0 HG SER A 31 -2.563 13.728 -2.992 1.00 0.00 H new ATOM 498 N GLU A 32 -1.479 15.316 0.684 1.00 0.00 N ATOM 499 CA GLU A 32 -1.682 16.632 1.279 1.00 0.00 C ATOM 500 C GLU A 32 -2.730 17.421 0.501 1.00 0.00 C ATOM 501 O GLU A 32 -3.507 18.179 1.081 1.00 0.00 O ATOM 502 CB GLU A 32 -0.365 17.409 1.318 1.00 0.00 C ATOM 503 CG GLU A 32 0.327 17.504 -0.032 1.00 0.00 C ATOM 504 CD GLU A 32 1.275 18.685 -0.119 1.00 0.00 C ATOM 505 OE1 GLU A 32 0.807 19.834 0.027 1.00 0.00 O ATOM 506 OE2 GLU A 32 2.485 18.460 -0.333 1.00 0.00 O ATOM 0 H GLU A 32 -0.618 15.225 0.145 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.040 16.491 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.558 18.415 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.308 16.930 2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.881 16.584 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.425 17.588 -0.817 1.00 0.00 H new ATOM 513 N SER A 33 -2.747 17.234 -0.815 1.00 0.00 N ATOM 514 CA SER A 33 -3.702 17.926 -1.672 1.00 0.00 C ATOM 515 C SER A 33 -5.130 17.509 -1.338 1.00 0.00 C ATOM 516 O SER A 33 -5.997 18.353 -1.108 1.00 0.00 O ATOM 517 CB SER A 33 -3.404 17.634 -3.144 1.00 0.00 C ATOM 518 OG SER A 33 -3.912 18.659 -3.981 1.00 0.00 O ATOM 0 H SER A 33 -2.111 16.609 -1.310 1.00 0.00 H new ATOM 0 HA SER A 33 -3.603 18.997 -1.495 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.328 17.542 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.846 16.678 -3.425 1.00 0.00 H new ATOM 0 HG SER A 33 -3.707 18.449 -4.916 1.00 0.00 H new ATOM 524 N SER A 34 -5.368 16.202 -1.311 1.00 0.00 N ATOM 525 CA SER A 34 -6.691 15.671 -1.003 1.00 0.00 C ATOM 526 C SER A 34 -6.737 15.128 0.425 1.00 0.00 C ATOM 527 O SER A 34 -5.801 14.465 0.874 1.00 0.00 O ATOM 528 CB SER A 34 -7.065 14.568 -1.994 1.00 0.00 C ATOM 529 OG SER A 34 -7.662 15.110 -3.160 1.00 0.00 O ATOM 0 H SER A 34 -4.662 15.491 -1.499 1.00 0.00 H new ATOM 0 HA SER A 34 -7.412 16.484 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.174 14.003 -2.267 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.754 13.868 -1.521 1.00 0.00 H new ATOM 0 HG SER A 34 -7.890 14.385 -3.778 1.00 0.00 H new ATOM 535 N PRO A 35 -7.828 15.403 1.163 1.00 0.00 N ATOM 536 CA PRO A 35 -7.983 14.939 2.545 1.00 0.00 C ATOM 537 C PRO A 35 -8.313 13.452 2.629 1.00 0.00 C ATOM 538 O PRO A 35 -8.064 12.808 3.648 1.00 0.00 O ATOM 539 CB PRO A 35 -9.154 15.773 3.062 1.00 0.00 C ATOM 540 CG PRO A 35 -9.969 16.064 1.851 1.00 0.00 C ATOM 541 CD PRO A 35 -8.994 16.189 0.711 1.00 0.00 C ATOM 0 HA PRO A 35 -7.065 15.057 3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.732 15.226 3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.808 16.691 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.687 15.266 1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.540 16.984 1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -9.409 15.794 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.728 17.229 0.523 1.00 0.00 H new ATOM 549 N SER A 36 -8.877 12.913 1.554 1.00 0.00 N ATOM 550 CA SER A 36 -9.244 11.503 1.509 1.00 0.00 C ATOM 551 C SER A 36 -8.554 10.799 0.343 1.00 0.00 C ATOM 552 O SER A 36 -9.210 10.259 -0.548 1.00 0.00 O ATOM 553 CB SER A 36 -10.762 11.357 1.388 1.00 0.00 C ATOM 554 OG SER A 36 -11.357 11.141 2.656 1.00 0.00 O ATOM 0 H SER A 36 -9.090 13.432 0.702 1.00 0.00 H new ATOM 0 HA SER A 36 -8.914 11.034 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.182 12.255 0.934 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.999 10.525 0.725 1.00 0.00 H new ATOM 0 HG SER A 36 -12.327 11.053 2.551 1.00 0.00 H new ATOM 560 N ASP A 37 -7.226 10.812 0.356 1.00 0.00 N ATOM 561 CA ASP A 37 -6.447 10.177 -0.702 1.00 0.00 C ATOM 562 C ASP A 37 -5.255 9.418 -0.125 1.00 0.00 C ATOM 563 O ASP A 37 -4.536 9.931 0.731 1.00 0.00 O ATOM 564 CB ASP A 37 -5.960 11.228 -1.701 1.00 0.00 C ATOM 565 CG ASP A 37 -5.856 10.680 -3.111 1.00 0.00 C ATOM 566 OD1 ASP A 37 -6.909 10.372 -3.707 1.00 0.00 O ATOM 567 OD2 ASP A 37 -4.722 10.561 -3.619 1.00 0.00 O ATOM 0 H ASP A 37 -6.667 11.254 1.085 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.092 9.464 -1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.644 12.077 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.985 11.601 -1.386 1.00 0.00 H new ATOM 572 N PHE A 38 -5.050 8.195 -0.606 1.00 0.00 N ATOM 573 CA PHE A 38 -3.942 7.362 -0.145 1.00 0.00 C ATOM 574 C PHE A 38 -3.360 6.557 -1.305 1.00 0.00 C ATOM 575 O PHE A 38 -4.082 6.161 -2.219 1.00 0.00 O ATOM 576 CB PHE A 38 -4.395 6.420 0.977 1.00 0.00 C ATOM 577 CG PHE A 38 -5.558 6.939 1.777 1.00 0.00 C ATOM 578 CD1 PHE A 38 -6.848 6.867 1.275 1.00 0.00 C ATOM 579 CD2 PHE A 38 -5.360 7.498 3.029 1.00 0.00 C ATOM 580 CE1 PHE A 38 -7.918 7.343 2.008 1.00 0.00 C ATOM 581 CE2 PHE A 38 -6.427 7.976 3.767 1.00 0.00 C ATOM 582 CZ PHE A 38 -7.708 7.898 3.255 1.00 0.00 C ATOM 0 H PHE A 38 -5.637 7.758 -1.316 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.168 8.019 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.666 5.458 0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.556 6.241 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.019 6.434 0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.361 7.561 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -8.918 7.281 1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.260 8.410 4.742 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.544 8.270 3.829 1.00 0.00 H new ATOM 592 N SER A 39 -2.050 6.322 -1.266 1.00 0.00 N ATOM 593 CA SER A 39 -1.375 5.567 -2.321 1.00 0.00 C ATOM 594 C SER A 39 -0.507 4.468 -1.724 1.00 0.00 C ATOM 595 O SER A 39 0.117 4.669 -0.686 1.00 0.00 O ATOM 596 CB SER A 39 -0.518 6.501 -3.178 1.00 0.00 C ATOM 597 OG SER A 39 -1.225 6.930 -4.328 1.00 0.00 O ATOM 0 H SER A 39 -1.436 6.642 -0.517 1.00 0.00 H new ATOM 0 HA SER A 39 -2.136 5.106 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.217 7.367 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.395 5.988 -3.479 1.00 0.00 H new ATOM 0 HG SER A 39 -0.656 7.527 -4.858 1.00 0.00 H new ATOM 603 N VAL A 40 -0.463 3.308 -2.376 1.00 0.00 N ATOM 604 CA VAL A 40 0.344 2.198 -1.877 1.00 0.00 C ATOM 605 C VAL A 40 1.266 1.626 -2.954 1.00 0.00 C ATOM 606 O VAL A 40 0.859 1.435 -4.101 1.00 0.00 O ATOM 607 CB VAL A 40 -0.533 1.056 -1.309 1.00 0.00 C ATOM 608 CG1 VAL A 40 -1.761 1.604 -0.599 1.00 0.00 C ATOM 609 CG2 VAL A 40 -0.947 0.089 -2.404 1.00 0.00 C ATOM 0 H VAL A 40 -0.970 3.114 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 40 0.954 2.614 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 40 0.070 0.515 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.356 0.777 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.449 2.244 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.359 2.184 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.562 -0.703 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.518 0.622 -3.164 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.058 -0.348 -2.859 1.00 0.00 H new ATOM 619 N SER A 41 2.502 1.335 -2.566 1.00 0.00 N ATOM 620 CA SER A 41 3.480 0.755 -3.480 1.00 0.00 C ATOM 621 C SER A 41 4.037 -0.558 -2.923 1.00 0.00 C ATOM 622 O SER A 41 4.472 -0.603 -1.767 1.00 0.00 O ATOM 623 CB SER A 41 4.612 1.747 -3.729 1.00 0.00 C ATOM 624 OG SER A 41 5.189 1.555 -5.008 1.00 0.00 O ATOM 0 H SER A 41 2.852 1.492 -1.621 1.00 0.00 H new ATOM 0 HA SER A 41 2.982 0.538 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.231 2.765 -3.648 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.377 1.631 -2.961 1.00 0.00 H new ATOM 0 HG SER A 41 5.910 2.205 -5.142 1.00 0.00 H new ATOM 630 N LEU A 42 4.040 -1.617 -3.749 1.00 0.00 N ATOM 631 CA LEU A 42 4.571 -2.920 -3.328 1.00 0.00 C ATOM 632 C LEU A 42 5.503 -3.515 -4.377 1.00 0.00 C ATOM 633 O LEU A 42 5.450 -3.156 -5.555 1.00 0.00 O ATOM 634 CB LEU A 42 3.461 -3.933 -3.033 1.00 0.00 C ATOM 635 CG LEU A 42 3.918 -5.164 -2.262 1.00 0.00 C ATOM 636 CD1 LEU A 42 4.403 -4.747 -0.886 1.00 0.00 C ATOM 637 CD2 LEU A 42 2.790 -6.174 -2.149 1.00 0.00 C ATOM 0 H LEU A 42 3.683 -1.596 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 42 5.128 -2.727 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.674 -3.436 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.019 -4.254 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 42 4.738 -5.638 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.730 -5.628 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.237 -4.053 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.591 -4.261 -0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.137 -7.046 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.948 -5.722 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.474 -6.480 -3.146 1.00 0.00 H new ATOM 649 N LYS A 43 6.351 -4.436 -3.930 1.00 0.00 N ATOM 650 CA LYS A 43 7.305 -5.104 -4.803 1.00 0.00 C ATOM 651 C LYS A 43 6.842 -6.517 -5.151 1.00 0.00 C ATOM 652 O LYS A 43 5.782 -6.962 -4.711 1.00 0.00 O ATOM 653 CB LYS A 43 8.669 -5.163 -4.120 1.00 0.00 C ATOM 654 CG LYS A 43 9.321 -3.803 -3.962 1.00 0.00 C ATOM 655 CD LYS A 43 9.450 -3.101 -5.300 1.00 0.00 C ATOM 656 CE LYS A 43 8.294 -2.146 -5.543 1.00 0.00 C ATOM 657 NZ LYS A 43 7.601 -2.425 -6.830 1.00 0.00 N ATOM 0 H LYS A 43 6.395 -4.738 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 43 7.379 -4.533 -5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.556 -5.620 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.329 -5.810 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.730 -3.190 -3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.307 -3.919 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.391 -2.551 -5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.485 -3.842 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.580 -2.224 -4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.665 -1.121 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.727 -1.618 -7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.004 -3.280 -7.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.587 -2.572 -6.653 1.00 0.00 H new ATOM 671 N ALA A 44 7.650 -7.217 -5.942 1.00 0.00 N ATOM 672 CA ALA A 44 7.339 -8.582 -6.352 1.00 0.00 C ATOM 673 C ALA A 44 8.486 -9.168 -7.167 1.00 0.00 C ATOM 674 O ALA A 44 9.517 -8.522 -7.349 1.00 0.00 O ATOM 675 CB ALA A 44 6.045 -8.614 -7.152 1.00 0.00 C ATOM 0 H ALA A 44 8.530 -6.859 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 44 7.207 -9.191 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.827 -9.639 -7.450 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.228 -8.233 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.151 -7.992 -8.041 1.00 0.00 H new ATOM 681 N SER A 45 8.304 -10.390 -7.659 1.00 0.00 N ATOM 682 CA SER A 45 9.334 -11.045 -8.457 1.00 0.00 C ATOM 683 C SER A 45 9.578 -10.268 -9.745 1.00 0.00 C ATOM 684 O SER A 45 9.047 -10.611 -10.801 1.00 0.00 O ATOM 685 CB SER A 45 8.922 -12.482 -8.782 1.00 0.00 C ATOM 686 OG SER A 45 10.053 -13.329 -8.880 1.00 0.00 O ATOM 0 H SER A 45 7.458 -10.943 -7.520 1.00 0.00 H new ATOM 0 HA SER A 45 10.258 -11.067 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.251 -12.855 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.368 -12.501 -9.720 1.00 0.00 H new ATOM 0 HG SER A 45 9.761 -14.242 -9.087 1.00 0.00 H new ATOM 692 N GLY A 46 10.375 -9.208 -9.644 1.00 0.00 N ATOM 693 CA GLY A 46 10.666 -8.382 -10.801 1.00 0.00 C ATOM 694 C GLY A 46 9.480 -7.534 -11.227 1.00 0.00 C ATOM 695 O GLY A 46 9.576 -6.752 -12.172 1.00 0.00 O ATOM 0 H GLY A 46 10.825 -8.907 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.511 -7.731 -10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.969 -9.020 -11.631 1.00 0.00 H new ATOM 699 N LYS A 47 8.362 -7.691 -10.526 1.00 0.00 N ATOM 700 CA LYS A 47 7.153 -6.945 -10.823 1.00 0.00 C ATOM 701 C LYS A 47 6.877 -5.915 -9.731 1.00 0.00 C ATOM 702 O LYS A 47 7.445 -5.988 -8.641 1.00 0.00 O ATOM 703 CB LYS A 47 5.974 -7.907 -10.958 1.00 0.00 C ATOM 704 CG LYS A 47 5.456 -8.053 -12.381 1.00 0.00 C ATOM 705 CD LYS A 47 5.057 -6.714 -12.982 1.00 0.00 C ATOM 706 CE LYS A 47 5.278 -6.692 -14.485 1.00 0.00 C ATOM 707 NZ LYS A 47 4.217 -5.923 -15.192 1.00 0.00 N ATOM 0 H LYS A 47 8.272 -8.336 -9.741 1.00 0.00 H new ATOM 0 HA LYS A 47 7.288 -6.414 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.274 -8.888 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.161 -7.561 -10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.225 -8.514 -13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.597 -8.724 -12.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.008 -6.514 -12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.637 -5.917 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.251 -6.252 -14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.299 -7.714 -14.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.405 -5.932 -16.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.291 -6.358 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.213 -4.941 -14.850 1.00 0.00 H new ATOM 721 N ASN A 48 6.003 -4.959 -10.025 1.00 0.00 N ATOM 722 CA ASN A 48 5.659 -3.923 -9.060 1.00 0.00 C ATOM 723 C ASN A 48 4.162 -3.629 -9.080 1.00 0.00 C ATOM 724 O ASN A 48 3.661 -2.996 -10.010 1.00 0.00 O ATOM 725 CB ASN A 48 6.439 -2.645 -9.365 1.00 0.00 C ATOM 726 CG ASN A 48 6.323 -2.227 -10.818 1.00 0.00 C ATOM 727 OD1 ASN A 48 5.342 -1.602 -11.220 1.00 0.00 O ATOM 728 ND2 ASN A 48 7.328 -2.572 -11.615 1.00 0.00 N ATOM 0 H ASN A 48 5.522 -4.880 -10.921 1.00 0.00 H new ATOM 0 HA ASN A 48 5.925 -4.284 -8.067 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.074 -1.839 -8.728 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.489 -2.796 -9.116 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.306 -2.319 -12.603 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.122 -3.090 -11.239 1.00 0.00 H new ATOM 735 N LYS A 49 3.446 -4.094 -8.058 1.00 0.00 N ATOM 736 CA LYS A 49 2.015 -3.876 -7.982 1.00 0.00 C ATOM 737 C LYS A 49 1.692 -2.542 -7.316 1.00 0.00 C ATOM 738 O LYS A 49 1.810 -2.398 -6.098 1.00 0.00 O ATOM 739 CB LYS A 49 1.359 -5.010 -7.213 1.00 0.00 C ATOM 740 CG LYS A 49 1.374 -6.321 -7.969 1.00 0.00 C ATOM 741 CD LYS A 49 2.682 -7.056 -7.776 1.00 0.00 C ATOM 742 CE LYS A 49 2.765 -8.296 -8.652 1.00 0.00 C ATOM 743 NZ LYS A 49 2.664 -7.961 -10.100 1.00 0.00 N ATOM 0 H LYS A 49 3.837 -4.621 -7.277 1.00 0.00 H new ATOM 0 HA LYS A 49 1.623 -3.850 -8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.872 -5.140 -6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.328 -4.739 -6.986 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.549 -6.948 -7.629 1.00 0.00 H new ATOM 0 HG3 LYS A 49 1.215 -6.132 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.512 -6.389 -8.010 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.788 -7.342 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.707 -8.811 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.965 -8.985 -8.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.201 -8.657 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.666 -7.980 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.055 -7.011 -10.265 1.00 0.00 H new ATOM 757 N HIS A 50 1.279 -1.573 -8.126 1.00 0.00 N ATOM 758 CA HIS A 50 0.928 -0.250 -7.624 1.00 0.00 C ATOM 759 C HIS A 50 -0.580 -0.054 -7.658 1.00 0.00 C ATOM 760 O HIS A 50 -1.252 -0.499 -8.588 1.00 0.00 O ATOM 761 CB HIS A 50 1.609 0.842 -8.450 1.00 0.00 C ATOM 762 CG HIS A 50 1.590 0.582 -9.926 1.00 0.00 C ATOM 763 ND1 HIS A 50 2.699 0.166 -10.633 1.00 0.00 N ATOM 764 CD2 HIS A 50 0.586 0.680 -10.830 1.00 0.00 C ATOM 765 CE1 HIS A 50 2.378 0.022 -11.907 1.00 0.00 C ATOM 766 NE2 HIS A 50 1.102 0.327 -12.052 1.00 0.00 N ATOM 0 H HIS A 50 1.179 -1.680 -9.135 1.00 0.00 H new ATOM 0 HA HIS A 50 1.275 -0.177 -6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.118 1.795 -8.252 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.643 0.942 -8.121 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.431 0.980 -10.627 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.046 -0.292 -12.695 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.583 0.304 -12.930 1.00 0.00 H new ATOM 775 N PHE A 51 -1.109 0.611 -6.639 1.00 0.00 N ATOM 776 CA PHE A 51 -2.543 0.856 -6.561 1.00 0.00 C ATOM 777 C PHE A 51 -2.849 2.167 -5.847 1.00 0.00 C ATOM 778 O PHE A 51 -2.303 2.449 -4.780 1.00 0.00 O ATOM 779 CB PHE A 51 -3.239 -0.298 -5.837 1.00 0.00 C ATOM 780 CG PHE A 51 -2.840 -1.654 -6.343 1.00 0.00 C ATOM 781 CD1 PHE A 51 -3.244 -2.087 -7.596 1.00 0.00 C ATOM 782 CD2 PHE A 51 -2.060 -2.496 -5.567 1.00 0.00 C ATOM 783 CE1 PHE A 51 -2.878 -3.334 -8.064 1.00 0.00 C ATOM 784 CE2 PHE A 51 -1.691 -3.744 -6.030 1.00 0.00 C ATOM 785 CZ PHE A 51 -2.100 -4.164 -7.280 1.00 0.00 C ATOM 0 H PHE A 51 -0.570 0.988 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.920 0.927 -7.581 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.014 -0.236 -4.772 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.318 -0.183 -5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.852 -1.442 -8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.737 -2.173 -4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -3.200 -3.660 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.083 -4.391 -5.415 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.812 -5.139 -7.644 1.00 0.00 H new ATOM 795 N LYS A 52 -3.742 2.955 -6.435 1.00 0.00 N ATOM 796 CA LYS A 52 -4.143 4.226 -5.848 1.00 0.00 C ATOM 797 C LYS A 52 -5.372 4.026 -4.973 1.00 0.00 C ATOM 798 O LYS A 52 -6.382 3.486 -5.424 1.00 0.00 O ATOM 799 CB LYS A 52 -4.452 5.250 -6.941 1.00 0.00 C ATOM 800 CG LYS A 52 -4.030 6.668 -6.591 1.00 0.00 C ATOM 801 CD LYS A 52 -4.179 7.602 -7.782 1.00 0.00 C ATOM 802 CE LYS A 52 -3.049 8.619 -7.841 1.00 0.00 C ATOM 803 NZ LYS A 52 -2.062 8.294 -8.908 1.00 0.00 N ATOM 0 H LYS A 52 -4.202 2.735 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.320 4.601 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.951 4.948 -7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.523 5.239 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.635 7.035 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.993 6.668 -6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.193 7.019 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.135 8.122 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.463 9.611 -8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.542 8.654 -6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.309 9.011 -8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.647 7.358 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.540 8.285 -9.832 1.00 0.00 H new ATOM 817 N VAL A 53 -5.286 4.455 -3.722 1.00 0.00 N ATOM 818 CA VAL A 53 -6.405 4.307 -2.802 1.00 0.00 C ATOM 819 C VAL A 53 -7.141 5.636 -2.622 1.00 0.00 C ATOM 820 O VAL A 53 -6.633 6.559 -1.989 1.00 0.00 O ATOM 821 CB VAL A 53 -5.919 3.788 -1.428 1.00 0.00 C ATOM 822 CG1 VAL A 53 -7.082 3.543 -0.488 1.00 0.00 C ATOM 823 CG2 VAL A 53 -5.106 2.513 -1.586 1.00 0.00 C ATOM 0 H VAL A 53 -4.462 4.904 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.094 3.579 -3.231 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.283 4.561 -0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.706 3.179 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.627 4.474 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.750 2.799 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.776 2.168 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.722 1.744 -2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.237 2.711 -2.213 1.00 0.00 H new ATOM 833 N GLN A 54 -8.345 5.720 -3.190 1.00 0.00 N ATOM 834 CA GLN A 54 -9.166 6.929 -3.104 1.00 0.00 C ATOM 835 C GLN A 54 -10.545 6.618 -2.539 1.00 0.00 C ATOM 836 O GLN A 54 -11.142 5.595 -2.863 1.00 0.00 O ATOM 837 CB GLN A 54 -9.298 7.573 -4.486 1.00 0.00 C ATOM 838 CG GLN A 54 -9.564 9.069 -4.438 1.00 0.00 C ATOM 839 CD GLN A 54 -10.812 9.466 -5.203 1.00 0.00 C ATOM 840 OE1 GLN A 54 -10.826 9.464 -6.434 1.00 0.00 O ATOM 841 NE2 GLN A 54 -11.868 9.810 -4.475 1.00 0.00 N ATOM 0 H GLN A 54 -8.775 4.960 -3.717 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.672 7.627 -2.428 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.383 7.393 -5.050 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.108 7.086 -5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.664 9.383 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.706 9.600 -4.850 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.811 9.797 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.736 10.087 -4.934 1.00 0.00 H new ATOM 850 N LEU A 55 -11.052 7.513 -1.702 1.00 0.00 N ATOM 851 CA LEU A 55 -12.365 7.335 -1.103 1.00 0.00 C ATOM 852 C LEU A 55 -13.456 7.854 -2.044 1.00 0.00 C ATOM 853 O LEU A 55 -13.520 9.042 -2.357 1.00 0.00 O ATOM 854 CB LEU A 55 -12.396 8.015 0.280 1.00 0.00 C ATOM 855 CG LEU A 55 -13.659 8.799 0.647 1.00 0.00 C ATOM 856 CD1 LEU A 55 -13.676 10.133 -0.078 1.00 0.00 C ATOM 857 CD2 LEU A 55 -14.916 7.987 0.348 1.00 0.00 C ATOM 0 H LEU A 55 -10.573 8.369 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.565 6.274 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.244 7.246 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.547 8.695 0.341 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.647 8.993 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.579 10.682 0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.799 10.714 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.662 9.962 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.798 8.568 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.951 7.748 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.899 7.064 0.927 1.00 0.00 H new ATOM 869 N VAL A 56 -14.294 6.935 -2.511 1.00 0.00 N ATOM 870 CA VAL A 56 -15.377 7.264 -3.431 1.00 0.00 C ATOM 871 C VAL A 56 -16.752 7.108 -2.772 1.00 0.00 C ATOM 872 O VAL A 56 -16.990 6.159 -2.038 1.00 0.00 O ATOM 873 CB VAL A 56 -15.311 6.389 -4.695 1.00 0.00 C ATOM 874 CG1 VAL A 56 -16.448 5.389 -4.702 1.00 0.00 C ATOM 875 CG2 VAL A 56 -15.338 7.251 -5.949 1.00 0.00 C ATOM 0 H VAL A 56 -14.243 5.947 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.247 8.310 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.370 5.839 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -16.389 4.777 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -16.375 4.749 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -17.400 5.920 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -15.290 6.612 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -16.260 7.832 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -14.483 7.927 -5.944 1.00 0.00 H new ATOM 885 N ASP A 57 -17.649 8.037 -3.075 1.00 0.00 N ATOM 886 CA ASP A 57 -19.026 8.038 -2.554 1.00 0.00 C ATOM 887 C ASP A 57 -19.160 7.348 -1.191 1.00 0.00 C ATOM 888 O ASP A 57 -20.014 6.482 -1.002 1.00 0.00 O ATOM 889 CB ASP A 57 -19.988 7.399 -3.564 1.00 0.00 C ATOM 890 CG ASP A 57 -19.657 5.951 -3.874 1.00 0.00 C ATOM 891 OD1 ASP A 57 -19.530 5.152 -2.925 1.00 0.00 O ATOM 892 OD2 ASP A 57 -19.535 5.615 -5.071 1.00 0.00 O ATOM 0 H ASP A 57 -17.448 8.822 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 57 -19.293 9.084 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -21.004 7.457 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -19.968 7.975 -4.489 1.00 0.00 H new ATOM 897 N ASN A 58 -18.333 7.763 -0.238 1.00 0.00 N ATOM 898 CA ASN A 58 -18.373 7.212 1.122 1.00 0.00 C ATOM 899 C ASN A 58 -17.825 5.785 1.196 1.00 0.00 C ATOM 900 O ASN A 58 -18.197 5.018 2.084 1.00 0.00 O ATOM 901 CB ASN A 58 -19.804 7.244 1.667 1.00 0.00 C ATOM 902 CG ASN A 58 -19.861 7.003 3.163 1.00 0.00 C ATOM 903 OD1 ASN A 58 -20.598 6.138 3.636 1.00 0.00 O ATOM 904 ND2 ASN A 58 -19.082 7.770 3.916 1.00 0.00 N ATOM 0 H ASN A 58 -17.623 8.481 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 58 -17.728 7.842 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -20.254 8.211 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -20.401 6.487 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.079 7.654 4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.487 8.475 3.481 1.00 0.00 H new ATOM 911 N VAL A 59 -16.920 5.446 0.288 1.00 0.00 N ATOM 912 CA VAL A 59 -16.298 4.125 0.280 1.00 0.00 C ATOM 913 C VAL A 59 -14.871 4.209 -0.232 1.00 0.00 C ATOM 914 O VAL A 59 -14.610 4.769 -1.294 1.00 0.00 O ATOM 915 CB VAL A 59 -17.090 3.079 -0.535 1.00 0.00 C ATOM 916 CG1 VAL A 59 -18.513 2.984 -0.026 1.00 0.00 C ATOM 917 CG2 VAL A 59 -17.071 3.388 -2.022 1.00 0.00 C ATOM 0 H VAL A 59 -16.599 6.067 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 59 -16.299 3.784 1.315 1.00 0.00 H new ATOM 0 HB VAL A 59 -16.601 2.114 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -19.059 2.243 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -18.505 2.686 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.000 3.954 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -17.639 2.628 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -17.519 4.367 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.041 3.391 -2.380 1.00 0.00 H new ATOM 927 N TYR A 60 -13.946 3.663 0.539 1.00 0.00 N ATOM 928 CA TYR A 60 -12.541 3.691 0.172 1.00 0.00 C ATOM 929 C TYR A 60 -12.244 2.671 -0.922 1.00 0.00 C ATOM 930 O TYR A 60 -12.613 1.504 -0.815 1.00 0.00 O ATOM 931 CB TYR A 60 -11.684 3.440 1.406 1.00 0.00 C ATOM 932 CG TYR A 60 -12.187 4.151 2.643 1.00 0.00 C ATOM 933 CD1 TYR A 60 -11.840 5.472 2.896 1.00 0.00 C ATOM 934 CD2 TYR A 60 -13.010 3.502 3.556 1.00 0.00 C ATOM 935 CE1 TYR A 60 -12.297 6.127 4.024 1.00 0.00 C ATOM 936 CE2 TYR A 60 -13.471 4.151 4.686 1.00 0.00 C ATOM 937 CZ TYR A 60 -13.112 5.462 4.915 1.00 0.00 C ATOM 938 OH TYR A 60 -13.570 6.110 6.039 1.00 0.00 O ATOM 0 H TYR A 60 -14.143 3.195 1.423 1.00 0.00 H new ATOM 0 HA TYR A 60 -12.299 4.676 -0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.648 2.368 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.663 3.762 1.201 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -11.202 5.996 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -13.294 2.475 3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -12.017 7.154 4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -14.110 3.633 5.386 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.133 5.501 6.561 1.00 0.00 H new ATOM 948 N CYS A 61 -11.596 3.132 -1.989 1.00 0.00 N ATOM 949 CA CYS A 61 -11.274 2.272 -3.124 1.00 0.00 C ATOM 950 C CYS A 61 -9.771 2.064 -3.280 1.00 0.00 C ATOM 951 O CYS A 61 -8.973 2.928 -2.931 1.00 0.00 O ATOM 952 CB CYS A 61 -11.852 2.875 -4.413 1.00 0.00 C ATOM 953 SG CYS A 61 -10.758 4.036 -5.273 1.00 0.00 S ATOM 0 H CYS A 61 -11.283 4.098 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.722 1.297 -2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.104 2.063 -5.095 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.783 3.388 -4.171 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.581 5.092 -4.536 1.00 0.00 H new ATOM 959 N ILE A 62 -9.406 0.915 -3.840 1.00 0.00 N ATOM 960 CA ILE A 62 -8.001 0.581 -4.091 1.00 0.00 C ATOM 961 C ILE A 62 -7.853 -0.146 -5.425 1.00 0.00 C ATOM 962 O ILE A 62 -8.351 -1.259 -5.594 1.00 0.00 O ATOM 963 CB ILE A 62 -7.387 -0.289 -2.969 1.00 0.00 C ATOM 964 CG1 ILE A 62 -7.568 0.406 -1.611 1.00 0.00 C ATOM 965 CG2 ILE A 62 -5.909 -0.567 -3.259 1.00 0.00 C ATOM 966 CD1 ILE A 62 -6.502 0.066 -0.585 1.00 0.00 C ATOM 0 H ILE A 62 -10.065 0.193 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.459 1.526 -4.117 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.905 -1.247 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.574 1.485 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -8.544 0.137 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.491 -1.180 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.818 -1.095 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -5.365 0.376 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.707 0.600 0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.509 -1.007 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.524 0.361 -0.965 1.00 0.00 H new ATOM 978 N GLY A 63 -7.169 0.489 -6.369 1.00 0.00 N ATOM 979 CA GLY A 63 -6.971 -0.115 -7.675 1.00 0.00 C ATOM 980 C GLY A 63 -8.212 -0.038 -8.545 1.00 0.00 C ATOM 981 O GLY A 63 -8.325 0.843 -9.398 1.00 0.00 O ATOM 0 H GLY A 63 -6.748 1.411 -6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.145 0.384 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.684 -1.159 -7.549 1.00 0.00 H new ATOM 985 N GLN A 64 -9.144 -0.962 -8.330 1.00 0.00 N ATOM 986 CA GLN A 64 -10.382 -0.992 -9.103 1.00 0.00 C ATOM 987 C GLN A 64 -11.522 -1.604 -8.292 1.00 0.00 C ATOM 988 O GLN A 64 -12.453 -2.183 -8.852 1.00 0.00 O ATOM 989 CB GLN A 64 -10.184 -1.780 -10.400 1.00 0.00 C ATOM 990 CG GLN A 64 -9.418 -3.079 -10.215 1.00 0.00 C ATOM 991 CD GLN A 64 -8.858 -3.616 -11.518 1.00 0.00 C ATOM 992 OE1 GLN A 64 -7.657 -3.861 -11.637 1.00 0.00 O ATOM 993 NE2 GLN A 64 -9.728 -3.802 -12.503 1.00 0.00 N ATOM 0 H GLN A 64 -9.066 -1.698 -7.629 1.00 0.00 H new ATOM 0 HA GLN A 64 -10.647 0.036 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.160 -2.002 -10.832 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.653 -1.154 -11.117 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -8.601 -2.918 -9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.077 -3.825 -9.772 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.714 -3.585 -12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.410 -4.162 -13.403 1.00 0.00 H new ATOM 1002 N ARG A 65 -11.444 -1.469 -6.972 1.00 0.00 N ATOM 1003 CA ARG A 65 -12.471 -2.005 -6.085 1.00 0.00 C ATOM 1004 C ARG A 65 -12.716 -1.060 -4.914 1.00 0.00 C ATOM 1005 O ARG A 65 -11.829 -0.300 -4.525 1.00 0.00 O ATOM 1006 CB ARG A 65 -12.061 -3.386 -5.569 1.00 0.00 C ATOM 1007 CG ARG A 65 -13.227 -4.351 -5.425 1.00 0.00 C ATOM 1008 CD ARG A 65 -13.793 -4.747 -6.778 1.00 0.00 C ATOM 1009 NE ARG A 65 -15.091 -5.407 -6.657 1.00 0.00 N ATOM 1010 CZ ARG A 65 -15.683 -6.066 -7.650 1.00 0.00 C ATOM 1011 NH1 ARG A 65 -15.098 -6.155 -8.838 1.00 0.00 N ATOM 1012 NH2 ARG A 65 -16.863 -6.638 -7.455 1.00 0.00 N ATOM 0 H ARG A 65 -10.680 -0.993 -6.493 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.397 -2.102 -6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.326 -3.816 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.572 -3.273 -4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.898 -5.243 -4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.010 -3.890 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -13.895 -3.859 -7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.093 -5.413 -7.283 1.00 0.00 H new ATOM 0 HE ARG A 65 -15.572 -5.360 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.190 -5.717 -8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.556 -6.661 -9.596 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.317 -6.573 -6.544 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -17.317 -7.143 -8.216 1.00 0.00 H new ATOM 1026 N ARG A 66 -13.925 -1.102 -4.361 1.00 0.00 N ATOM 1027 CA ARG A 66 -14.279 -0.238 -3.243 1.00 0.00 C ATOM 1028 C ARG A 66 -14.602 -1.057 -1.998 1.00 0.00 C ATOM 1029 O ARG A 66 -15.288 -2.077 -2.066 1.00 0.00 O ATOM 1030 CB ARG A 66 -15.450 0.655 -3.627 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.011 1.892 -4.390 1.00 0.00 C ATOM 1032 CD ARG A 66 -14.475 1.545 -5.770 1.00 0.00 C ATOM 1033 NE ARG A 66 -15.384 0.671 -6.509 1.00 0.00 N ATOM 1034 CZ ARG A 66 -16.216 1.090 -7.462 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.279 2.376 -7.789 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -16.994 0.218 -8.088 1.00 0.00 N ATOM 0 H ARG A 66 -14.673 -1.724 -4.669 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.422 0.393 -3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.152 0.086 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.983 0.958 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.854 2.576 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.241 2.415 -3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.314 2.462 -6.337 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.505 1.057 -5.670 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.381 -0.323 -6.281 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.687 3.054 -7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.919 2.686 -8.520 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.955 -0.771 -7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.632 0.536 -8.818 1.00 0.00 H new ATOM 1050 N PHE A 67 -14.061 -0.615 -0.869 1.00 0.00 N ATOM 1051 CA PHE A 67 -14.236 -1.305 0.399 1.00 0.00 C ATOM 1052 C PHE A 67 -14.519 -0.333 1.540 1.00 0.00 C ATOM 1053 O PHE A 67 -14.239 0.860 1.436 1.00 0.00 O ATOM 1054 CB PHE A 67 -12.997 -2.137 0.695 1.00 0.00 C ATOM 1055 CG PHE A 67 -12.677 -3.102 -0.408 1.00 0.00 C ATOM 1056 CD1 PHE A 67 -13.542 -4.145 -0.705 1.00 0.00 C ATOM 1057 CD2 PHE A 67 -11.519 -2.964 -1.155 1.00 0.00 C ATOM 1058 CE1 PHE A 67 -13.254 -5.033 -1.724 1.00 0.00 C ATOM 1059 CE2 PHE A 67 -11.227 -3.848 -2.176 1.00 0.00 C ATOM 1060 CZ PHE A 67 -12.095 -4.884 -2.461 1.00 0.00 C ATOM 0 H PHE A 67 -13.491 0.229 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.104 -1.959 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -12.146 -1.474 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.146 -2.688 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.451 -4.264 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -10.836 -2.156 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.934 -5.843 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.321 -3.729 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.868 -5.576 -3.258 1.00 0.00 H new ATOM 1070 N HIS A 68 -15.075 -0.856 2.632 1.00 0.00 N ATOM 1071 CA HIS A 68 -15.394 -0.036 3.798 1.00 0.00 C ATOM 1072 C HIS A 68 -14.199 0.060 4.744 1.00 0.00 C ATOM 1073 O HIS A 68 -14.357 0.310 5.939 1.00 0.00 O ATOM 1074 CB HIS A 68 -16.598 -0.618 4.539 1.00 0.00 C ATOM 1075 CG HIS A 68 -16.354 -1.987 5.094 1.00 0.00 C ATOM 1076 ND1 HIS A 68 -15.522 -2.411 6.075 1.00 0.00 N flip ATOM 1077 CD2 HIS A 68 -17.007 -3.112 4.636 1.00 0.00 C flip ATOM 1078 CE1 HIS A 68 -15.687 -3.769 6.189 1.00 0.00 C flip ATOM 1079 NE2 HIS A 68 -16.588 -4.168 5.311 1.00 0.00 N flip ATOM 0 H HIS A 68 -15.313 -1.843 2.733 1.00 0.00 H new ATOM 0 HA HIS A 68 -15.638 0.967 3.449 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -16.872 0.052 5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -17.449 -0.657 3.859 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -14.891 -1.830 6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.746 -3.128 3.848 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.164 -4.408 6.885 1.00 0.00 H new ATOM 1088 N THR A 69 -13.008 -0.144 4.197 1.00 0.00 N ATOM 1089 CA THR A 69 -11.779 -0.087 4.973 1.00 0.00 C ATOM 1090 C THR A 69 -10.718 0.692 4.202 1.00 0.00 C ATOM 1091 O THR A 69 -10.841 0.857 2.992 1.00 0.00 O ATOM 1092 CB THR A 69 -11.298 -1.508 5.274 1.00 0.00 C ATOM 1093 OG1 THR A 69 -10.341 -1.508 6.317 1.00 0.00 O ATOM 1094 CG2 THR A 69 -10.678 -2.204 4.078 1.00 0.00 C ATOM 0 H THR A 69 -12.868 -0.352 3.208 1.00 0.00 H new ATOM 0 HA THR A 69 -11.964 0.426 5.917 1.00 0.00 H new ATOM 0 HB THR A 69 -12.195 -2.055 5.564 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.501 -2.273 6.908 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.360 -3.206 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.413 -2.272 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.815 -1.635 3.733 1.00 0.00 H new ATOM 1102 N MET A 70 -9.682 1.168 4.899 1.00 0.00 N ATOM 1103 CA MET A 70 -8.606 1.926 4.272 1.00 0.00 C ATOM 1104 C MET A 70 -7.757 2.616 5.332 1.00 0.00 C ATOM 1105 O MET A 70 -8.276 3.225 6.267 1.00 0.00 O ATOM 1106 CB MET A 70 -9.151 2.962 3.289 1.00 0.00 C ATOM 1107 CG MET A 70 -8.492 2.895 1.922 1.00 0.00 C ATOM 1108 SD MET A 70 -9.244 1.678 0.815 1.00 0.00 S ATOM 1109 CE MET A 70 -8.596 0.144 1.469 1.00 0.00 C ATOM 0 H MET A 70 -9.570 1.038 5.904 1.00 0.00 H new ATOM 0 HA MET A 70 -7.987 1.222 3.716 1.00 0.00 H new ATOM 0 HB2 MET A 70 -10.225 2.815 3.175 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.008 3.959 3.706 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.542 3.879 1.455 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.436 2.656 2.048 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.621 -0.621 0.693 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.568 0.294 1.798 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.204 -0.177 2.315 1.00 0.00 H new ATOM 1119 N ASP A 71 -6.445 2.490 5.177 1.00 0.00 N ATOM 1120 CA ASP A 71 -5.470 3.066 6.105 1.00 0.00 C ATOM 1121 C ASP A 71 -5.236 2.127 7.280 1.00 0.00 C ATOM 1122 O ASP A 71 -4.161 2.115 7.881 1.00 0.00 O ATOM 1123 CB ASP A 71 -5.926 4.433 6.597 1.00 0.00 C ATOM 1124 CG ASP A 71 -4.780 5.270 7.131 1.00 0.00 C ATOM 1125 OD1 ASP A 71 -3.632 5.054 6.690 1.00 0.00 O ATOM 1126 OD2 ASP A 71 -5.031 6.140 7.992 1.00 0.00 O ATOM 0 H ASP A 71 -6.021 1.983 4.400 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.529 3.196 5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.411 4.966 5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.673 4.303 7.380 1.00 0.00 H new ATOM 1131 N GLU A 72 -6.240 1.313 7.571 1.00 0.00 N ATOM 1132 CA GLU A 72 -6.150 0.329 8.636 1.00 0.00 C ATOM 1133 C GLU A 72 -6.011 -1.054 8.015 1.00 0.00 C ATOM 1134 O GLU A 72 -5.575 -2.007 8.662 1.00 0.00 O ATOM 1135 CB GLU A 72 -7.390 0.391 9.531 1.00 0.00 C ATOM 1136 CG GLU A 72 -7.734 1.796 9.998 1.00 0.00 C ATOM 1137 CD GLU A 72 -7.006 2.182 11.270 1.00 0.00 C ATOM 1138 OE1 GLU A 72 -6.843 1.311 12.150 1.00 0.00 O ATOM 1139 OE2 GLU A 72 -6.597 3.357 11.387 1.00 0.00 O ATOM 0 H GLU A 72 -7.133 1.316 7.079 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.279 0.542 9.256 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.241 -0.021 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.231 -0.244 10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.485 2.508 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.809 1.867 10.163 1.00 0.00 H new ATOM 1146 N LEU A 73 -6.379 -1.139 6.737 1.00 0.00 N ATOM 1147 CA LEU A 73 -6.296 -2.379 5.984 1.00 0.00 C ATOM 1148 C LEU A 73 -4.898 -2.624 5.467 1.00 0.00 C ATOM 1149 O LEU A 73 -4.630 -3.644 4.844 1.00 0.00 O ATOM 1150 CB LEU A 73 -7.284 -2.368 4.809 1.00 0.00 C ATOM 1151 CG LEU A 73 -7.036 -1.338 3.669 1.00 0.00 C ATOM 1152 CD1 LEU A 73 -5.913 -0.348 3.960 1.00 0.00 C ATOM 1153 CD2 LEU A 73 -6.732 -2.042 2.359 1.00 0.00 C ATOM 0 H LEU A 73 -6.741 -0.350 6.201 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.556 -3.188 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.291 -3.364 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.282 -2.191 5.211 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.963 -0.770 3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.803 0.335 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.152 0.220 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.980 -0.891 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.563 -1.301 1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.840 -2.657 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.575 -2.675 2.082 1.00 0.00 H new ATOM 1165 N VAL A 74 -4.006 -1.698 5.736 1.00 0.00 N ATOM 1166 CA VAL A 74 -2.639 -1.844 5.306 1.00 0.00 C ATOM 1167 C VAL A 74 -1.836 -2.511 6.407 1.00 0.00 C ATOM 1168 O VAL A 74 -0.714 -2.970 6.197 1.00 0.00 O ATOM 1169 CB VAL A 74 -1.985 -0.499 4.944 1.00 0.00 C ATOM 1170 CG1 VAL A 74 -1.232 -0.633 3.630 1.00 0.00 C ATOM 1171 CG2 VAL A 74 -3.000 0.641 4.857 1.00 0.00 C ATOM 0 H VAL A 74 -4.204 -0.839 6.249 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.645 -2.456 4.404 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.291 -0.246 5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.770 0.321 3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.459 -1.395 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.926 -0.921 2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.486 1.567 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.740 0.411 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.498 0.759 5.819 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.446 -2.572 7.582 1.00 0.00 N ATOM 1182 CA GLU A 75 -1.829 -3.197 8.742 1.00 0.00 C ATOM 1183 C GLU A 75 -2.373 -4.608 8.916 1.00 0.00 C ATOM 1184 O GLU A 75 -1.696 -5.490 9.444 1.00 0.00 O ATOM 1185 CB GLU A 75 -2.096 -2.368 10.000 1.00 0.00 C ATOM 1186 CG GLU A 75 -1.779 -0.890 9.834 1.00 0.00 C ATOM 1187 CD GLU A 75 -0.462 -0.500 10.476 1.00 0.00 C ATOM 1188 OE1 GLU A 75 -0.146 -1.040 11.557 1.00 0.00 O ATOM 1189 OE2 GLU A 75 0.253 0.345 9.898 1.00 0.00 O ATOM 0 H GLU A 75 -3.376 -2.192 7.757 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.752 -3.247 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.143 -2.477 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.502 -2.768 10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.747 -0.646 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.582 -0.298 10.273 1.00 0.00 H new ATOM 1196 N HIS A 76 -3.603 -4.811 8.452 1.00 0.00 N ATOM 1197 CA HIS A 76 -4.253 -6.110 8.534 1.00 0.00 C ATOM 1198 C HIS A 76 -4.608 -6.632 7.142 1.00 0.00 C ATOM 1199 O HIS A 76 -5.237 -7.682 7.011 1.00 0.00 O ATOM 1200 CB HIS A 76 -5.517 -6.017 9.391 1.00 0.00 C ATOM 1201 CG HIS A 76 -5.243 -5.985 10.862 1.00 0.00 C ATOM 1202 ND1 HIS A 76 -5.829 -5.076 11.718 1.00 0.00 N ATOM 1203 CD2 HIS A 76 -4.440 -6.758 11.632 1.00 0.00 C ATOM 1204 CE1 HIS A 76 -5.398 -5.291 12.948 1.00 0.00 C ATOM 1205 NE2 HIS A 76 -4.555 -6.306 12.923 1.00 0.00 N ATOM 0 H HIS A 76 -4.170 -4.086 8.013 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.556 -6.808 8.998 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.069 -5.119 9.113 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.160 -6.868 9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.824 -7.578 11.293 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.687 -4.731 13.825 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -4.068 -6.692 13.732 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.197 -5.900 6.098 1.00 0.00 N ATOM 1215 CA TYR A 77 -4.468 -6.300 4.725 1.00 0.00 C ATOM 1216 C TYR A 77 -5.915 -6.766 4.549 1.00 0.00 C ATOM 1217 O TYR A 77 -6.169 -7.871 4.070 1.00 0.00 O ATOM 1218 CB TYR A 77 -3.487 -7.387 4.279 1.00 0.00 C ATOM 1219 CG TYR A 77 -2.659 -7.979 5.400 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -1.449 -7.405 5.773 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -3.086 -9.111 6.081 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -0.690 -7.944 6.794 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -2.333 -9.655 7.104 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.136 -9.069 7.456 1.00 0.00 C ATOM 1225 OH TYR A 77 -0.383 -9.609 8.472 1.00 0.00 O ATOM 0 H TYR A 77 -3.675 -5.028 6.186 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.328 -5.425 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.046 -8.188 3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.815 -6.968 3.529 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.097 -6.524 5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.022 -9.574 5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.248 -7.487 7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.681 -10.535 7.625 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.839 -10.397 8.834 1.00 0.00 H new ATOM 1235 N LYS A 78 -6.860 -5.904 4.926 1.00 0.00 N ATOM 1236 CA LYS A 78 -8.280 -6.215 4.790 1.00 0.00 C ATOM 1237 C LYS A 78 -8.617 -6.368 3.307 1.00 0.00 C ATOM 1238 O LYS A 78 -7.935 -7.110 2.600 1.00 0.00 O ATOM 1239 CB LYS A 78 -9.126 -5.114 5.438 1.00 0.00 C ATOM 1240 CG LYS A 78 -8.703 -4.779 6.858 1.00 0.00 C ATOM 1241 CD LYS A 78 -9.446 -5.630 7.875 1.00 0.00 C ATOM 1242 CE LYS A 78 -9.781 -4.836 9.127 1.00 0.00 C ATOM 1243 NZ LYS A 78 -8.568 -4.231 9.742 1.00 0.00 N ATOM 0 H LYS A 78 -6.666 -4.986 5.327 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.505 -7.151 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.065 -4.213 4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.171 -5.425 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.630 -4.935 6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.893 -3.724 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.364 -6.013 7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.837 -6.494 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.493 -4.049 8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.268 -5.489 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.847 -3.643 10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.929 -4.986 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.079 -3.641 9.038 1.00 0.00 H new ATOM 1257 N LYS A 79 -9.634 -5.659 2.807 1.00 0.00 N ATOM 1258 CA LYS A 79 -9.955 -5.753 1.392 1.00 0.00 C ATOM 1259 C LYS A 79 -8.927 -4.954 0.599 1.00 0.00 C ATOM 1260 O LYS A 79 -9.244 -3.952 -0.041 1.00 0.00 O ATOM 1261 CB LYS A 79 -11.363 -5.233 1.119 1.00 0.00 C ATOM 1262 CG LYS A 79 -12.452 -6.028 1.820 1.00 0.00 C ATOM 1263 CD LYS A 79 -12.830 -5.401 3.152 1.00 0.00 C ATOM 1264 CE LYS A 79 -14.235 -5.798 3.575 1.00 0.00 C ATOM 1265 NZ LYS A 79 -15.265 -5.285 2.629 1.00 0.00 N ATOM 0 H LYS A 79 -10.230 -5.033 3.348 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.924 -6.798 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -11.424 -4.192 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.546 -5.251 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.333 -6.084 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.111 -7.050 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.117 -5.711 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.765 -4.316 3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.304 -6.884 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.436 -5.413 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.162 -5.142 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.947 -4.380 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.407 -5.974 1.863 1.00 0.00 H new ATOM 1279 N ALA A 80 -7.687 -5.415 0.675 1.00 0.00 N ATOM 1280 CA ALA A 80 -6.562 -4.785 0.004 1.00 0.00 C ATOM 1281 C ALA A 80 -6.145 -5.575 -1.229 1.00 0.00 C ATOM 1282 O ALA A 80 -6.375 -6.782 -1.303 1.00 0.00 O ATOM 1283 CB ALA A 80 -5.396 -4.633 0.967 1.00 0.00 C ATOM 0 H ALA A 80 -7.432 -6.245 1.210 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.872 -3.794 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.559 -4.160 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.700 -4.014 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.092 -5.615 1.328 1.00 0.00 H new ATOM 1289 N PRO A 81 -5.518 -4.912 -2.215 1.00 0.00 N ATOM 1290 CA PRO A 81 -5.056 -5.566 -3.449 1.00 0.00 C ATOM 1291 C PRO A 81 -4.015 -6.650 -3.187 1.00 0.00 C ATOM 1292 O PRO A 81 -3.247 -7.005 -4.081 1.00 0.00 O ATOM 1293 CB PRO A 81 -4.412 -4.425 -4.241 1.00 0.00 C ATOM 1294 CG PRO A 81 -4.072 -3.407 -3.212 1.00 0.00 C ATOM 1295 CD PRO A 81 -5.183 -3.482 -2.204 1.00 0.00 C ATOM 0 HA PRO A 81 -5.878 -6.065 -3.963 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.524 -4.763 -4.774 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.097 -4.023 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.107 -3.619 -2.751 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.004 -2.411 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.861 -3.147 -1.218 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.033 -2.863 -2.489 1.00 0.00 H new ATOM 1303 N ILE A 82 -3.987 -7.180 -1.968 1.00 0.00 N ATOM 1304 CA ILE A 82 -3.045 -8.211 -1.622 1.00 0.00 C ATOM 1305 C ILE A 82 -3.263 -9.427 -2.504 1.00 0.00 C ATOM 1306 O ILE A 82 -4.397 -9.816 -2.783 1.00 0.00 O ATOM 1307 CB ILE A 82 -3.172 -8.645 -0.151 1.00 0.00 C ATOM 1308 CG1 ILE A 82 -3.212 -7.446 0.814 1.00 0.00 C ATOM 1309 CG2 ILE A 82 -2.037 -9.592 0.198 1.00 0.00 C ATOM 1310 CD1 ILE A 82 -2.335 -6.269 0.433 1.00 0.00 C ATOM 0 H ILE A 82 -4.611 -6.904 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.048 -7.796 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.124 -9.163 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.242 -7.099 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.917 -7.790 1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.127 -9.899 1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.086 -10.471 -0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.083 -9.086 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.439 -5.481 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.294 -6.590 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.640 -5.888 -0.541 1.00 0.00 H new ATOM 1322 N PHE A 83 -2.169 -10.009 -2.951 1.00 0.00 N ATOM 1323 CA PHE A 83 -2.236 -11.185 -3.830 1.00 0.00 C ATOM 1324 C PHE A 83 -1.128 -12.186 -3.517 1.00 0.00 C ATOM 1325 O PHE A 83 0.014 -11.802 -3.303 1.00 0.00 O ATOM 1326 CB PHE A 83 -2.151 -10.755 -5.296 1.00 0.00 C ATOM 1327 CG PHE A 83 -3.277 -11.279 -6.140 1.00 0.00 C ATOM 1328 CD1 PHE A 83 -3.460 -12.642 -6.307 1.00 0.00 C ATOM 1329 CD2 PHE A 83 -4.153 -10.407 -6.767 1.00 0.00 C ATOM 1330 CE1 PHE A 83 -4.495 -13.126 -7.083 1.00 0.00 C ATOM 1331 CE2 PHE A 83 -5.190 -10.885 -7.544 1.00 0.00 C ATOM 1332 CZ PHE A 83 -5.361 -12.247 -7.703 1.00 0.00 C ATOM 0 H PHE A 83 -1.223 -9.698 -2.729 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.192 -11.676 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.145 -9.666 -5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.204 -11.099 -5.713 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.786 -13.334 -5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.023 -9.342 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.627 -14.191 -7.205 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -5.866 -10.195 -8.027 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.170 -12.623 -8.311 1.00 0.00 H new ATOM 1342 N THR A 84 -1.465 -13.475 -3.490 1.00 0.00 N ATOM 1343 CA THR A 84 -0.467 -14.498 -3.188 1.00 0.00 C ATOM 1344 C THR A 84 -0.185 -15.433 -4.351 1.00 0.00 C ATOM 1345 O THR A 84 -1.054 -15.730 -5.170 1.00 0.00 O ATOM 1346 CB THR A 84 -0.880 -15.338 -1.988 1.00 0.00 C ATOM 1347 OG1 THR A 84 -1.657 -14.576 -1.084 1.00 0.00 O ATOM 1348 CG2 THR A 84 0.316 -15.900 -1.244 1.00 0.00 C ATOM 0 H THR A 84 -2.404 -13.831 -3.670 1.00 0.00 H new ATOM 0 HA THR A 84 0.446 -13.943 -2.970 1.00 0.00 H new ATOM 0 HB THR A 84 -1.468 -16.167 -2.381 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.219 -15.175 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.028 -16.492 -0.396 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.898 -16.532 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.939 -15.081 -0.885 1.00 0.00 H new ATOM 1356 N SER A 85 1.052 -15.914 -4.376 1.00 0.00 N ATOM 1357 CA SER A 85 1.513 -16.850 -5.384 1.00 0.00 C ATOM 1358 C SER A 85 1.879 -18.171 -4.715 1.00 0.00 C ATOM 1359 O SER A 85 2.464 -18.169 -3.626 1.00 0.00 O ATOM 1360 CB SER A 85 2.732 -16.279 -6.101 1.00 0.00 C ATOM 1361 OG SER A 85 3.392 -17.274 -6.863 1.00 0.00 O ATOM 0 H SER A 85 1.765 -15.662 -3.692 1.00 0.00 H new ATOM 0 HA SER A 85 0.720 -17.019 -6.113 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.424 -15.463 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.423 -15.859 -5.370 1.00 0.00 H new ATOM 0 HG SER A 85 4.168 -16.880 -7.313 1.00 0.00 H new ATOM 1367 N GLU A 86 1.536 -19.289 -5.361 1.00 0.00 N ATOM 1368 CA GLU A 86 1.826 -20.626 -4.824 1.00 0.00 C ATOM 1369 C GLU A 86 3.061 -20.613 -3.927 1.00 0.00 C ATOM 1370 O GLU A 86 2.989 -20.951 -2.745 1.00 0.00 O ATOM 1371 CB GLU A 86 2.027 -21.624 -5.964 1.00 0.00 C ATOM 1372 CG GLU A 86 2.222 -23.055 -5.491 1.00 0.00 C ATOM 1373 CD GLU A 86 0.942 -23.676 -4.966 1.00 0.00 C ATOM 1374 OE1 GLU A 86 -0.049 -23.723 -5.725 1.00 0.00 O ATOM 1375 OE2 GLU A 86 0.931 -24.114 -3.797 1.00 0.00 O ATOM 0 H GLU A 86 1.055 -19.297 -6.260 1.00 0.00 H new ATOM 0 HA GLU A 86 0.971 -20.931 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.163 -21.584 -6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.894 -21.323 -6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.602 -23.658 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.979 -23.074 -4.707 1.00 0.00 H new ATOM 1382 N HIS A 87 4.188 -20.201 -4.495 1.00 0.00 N ATOM 1383 CA HIS A 87 5.437 -20.118 -3.748 1.00 0.00 C ATOM 1384 C HIS A 87 6.012 -18.706 -3.830 1.00 0.00 C ATOM 1385 O HIS A 87 7.202 -18.492 -3.600 1.00 0.00 O ATOM 1386 CB HIS A 87 6.455 -21.134 -4.276 1.00 0.00 C ATOM 1387 CG HIS A 87 6.362 -21.372 -5.751 1.00 0.00 C ATOM 1388 ND1 HIS A 87 6.724 -20.430 -6.690 1.00 0.00 N ATOM 1389 CD2 HIS A 87 5.945 -22.455 -6.449 1.00 0.00 C ATOM 1390 CE1 HIS A 87 6.532 -20.922 -7.901 1.00 0.00 C ATOM 1391 NE2 HIS A 87 6.060 -22.149 -7.782 1.00 0.00 N ATOM 0 H HIS A 87 4.263 -19.919 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 87 5.226 -20.353 -2.705 1.00 0.00 H new ATOM 0 HB2 HIS A 87 7.460 -20.786 -4.036 1.00 0.00 H new ATOM 0 HB3 HIS A 87 6.313 -22.081 -3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.588 -23.386 -6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.728 -20.408 -8.830 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.820 -22.769 -8.555 1.00 0.00 H new ATOM 1400 N GLY A 88 5.151 -17.743 -4.157 1.00 0.00 N ATOM 1401 CA GLY A 88 5.577 -16.361 -4.261 1.00 0.00 C ATOM 1402 C GLY A 88 5.230 -15.550 -3.036 1.00 0.00 C ATOM 1403 O GLY A 88 5.716 -14.432 -2.870 1.00 0.00 O ATOM 0 H GLY A 88 4.162 -17.899 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.655 -16.328 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.112 -15.907 -5.136 1.00 0.00 H new ATOM 1407 N GLU A 89 4.391 -16.118 -2.176 1.00 0.00 N ATOM 1408 CA GLU A 89 3.973 -15.459 -0.944 1.00 0.00 C ATOM 1409 C GLU A 89 2.887 -14.435 -1.191 1.00 0.00 C ATOM 1410 O GLU A 89 2.488 -14.182 -2.327 1.00 0.00 O ATOM 1411 CB GLU A 89 5.155 -14.808 -0.223 1.00 0.00 C ATOM 1412 CG GLU A 89 6.027 -15.819 0.485 1.00 0.00 C ATOM 1413 CD GLU A 89 7.476 -15.761 0.041 1.00 0.00 C ATOM 1414 OE1 GLU A 89 8.177 -14.802 0.429 1.00 0.00 O ATOM 1415 OE2 GLU A 89 7.910 -16.674 -0.692 1.00 0.00 O ATOM 0 H GLU A 89 3.984 -17.043 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 89 3.564 -16.238 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.757 -14.255 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.781 -14.084 0.501 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.974 -15.647 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.636 -16.820 0.303 1.00 0.00 H new ATOM 1422 N LYS A 90 2.395 -13.879 -0.098 1.00 0.00 N ATOM 1423 CA LYS A 90 1.315 -12.900 -0.141 1.00 0.00 C ATOM 1424 C LYS A 90 1.823 -11.475 -0.341 1.00 0.00 C ATOM 1425 O LYS A 90 2.674 -11.001 0.413 1.00 0.00 O ATOM 1426 CB LYS A 90 0.516 -12.944 1.169 1.00 0.00 C ATOM 1427 CG LYS A 90 -0.181 -14.272 1.466 1.00 0.00 C ATOM 1428 CD LYS A 90 0.794 -15.375 1.858 1.00 0.00 C ATOM 1429 CE LYS A 90 1.732 -14.926 2.959 1.00 0.00 C ATOM 1430 NZ LYS A 90 2.562 -16.048 3.477 1.00 0.00 N ATOM 0 H LYS A 90 2.729 -14.090 0.842 1.00 0.00 H new ATOM 0 HA LYS A 90 0.689 -13.165 -0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.190 -12.714 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.236 -12.156 1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.901 -14.127 2.271 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.744 -14.586 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.238 -16.252 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.374 -15.676 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.383 -14.138 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.152 -14.496 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.189 -15.697 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.942 -16.790 3.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.135 -16.442 2.704 1.00 0.00 H new ATOM 1444 N LEU A 91 1.239 -10.765 -1.307 1.00 0.00 N ATOM 1445 CA LEU A 91 1.586 -9.368 -1.521 1.00 0.00 C ATOM 1446 C LEU A 91 0.864 -8.602 -0.450 1.00 0.00 C ATOM 1447 O LEU A 91 -0.280 -8.203 -0.651 1.00 0.00 O ATOM 1448 CB LEU A 91 1.123 -8.858 -2.887 1.00 0.00 C ATOM 1449 CG LEU A 91 1.635 -9.634 -4.088 1.00 0.00 C ATOM 1450 CD1 LEU A 91 0.687 -9.444 -5.255 1.00 0.00 C ATOM 1451 CD2 LEU A 91 3.038 -9.179 -4.449 1.00 0.00 C ATOM 0 H LEU A 91 0.532 -11.132 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 91 2.668 -9.245 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.033 -8.869 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.433 -7.818 -2.990 1.00 0.00 H new ATOM 0 HG LEU A 91 1.679 -10.695 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.055 -10.001 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.303 -9.809 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.627 -8.385 -5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.393 -9.743 -5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.025 -8.116 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.705 -9.350 -3.604 1.00 0.00 H new ATOM 1463 N TYR A 92 1.522 -8.448 0.690 1.00 0.00 N ATOM 1464 CA TYR A 92 0.933 -7.784 1.841 1.00 0.00 C ATOM 1465 C TYR A 92 1.511 -6.407 2.040 1.00 0.00 C ATOM 1466 O TYR A 92 2.649 -6.133 1.658 1.00 0.00 O ATOM 1467 CB TYR A 92 1.160 -8.620 3.104 1.00 0.00 C ATOM 1468 CG TYR A 92 0.119 -9.696 3.321 1.00 0.00 C ATOM 1469 CD1 TYR A 92 -1.234 -9.401 3.252 1.00 0.00 C ATOM 1470 CD2 TYR A 92 0.492 -11.006 3.595 1.00 0.00 C ATOM 1471 CE1 TYR A 92 -2.190 -10.379 3.448 1.00 0.00 C ATOM 1472 CE2 TYR A 92 -0.458 -11.991 3.792 1.00 0.00 C ATOM 1473 CZ TYR A 92 -1.797 -11.672 3.717 1.00 0.00 C ATOM 1474 OH TYR A 92 -2.747 -12.649 3.911 1.00 0.00 O ATOM 0 H TYR A 92 2.475 -8.779 0.842 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.136 -7.683 1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 92 2.144 -9.086 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.170 -7.958 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -1.546 -8.389 3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 92 1.540 -11.259 3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.240 -10.131 3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.153 -13.005 4.004 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.304 -13.505 4.089 1.00 0.00 H new ATOM 1484 N LEU A 93 0.718 -5.540 2.641 1.00 0.00 N ATOM 1485 CA LEU A 93 1.149 -4.186 2.887 1.00 0.00 C ATOM 1486 C LEU A 93 1.897 -4.080 4.210 1.00 0.00 C ATOM 1487 O LEU A 93 1.464 -3.393 5.134 1.00 0.00 O ATOM 1488 CB LEU A 93 -0.045 -3.238 2.841 1.00 0.00 C ATOM 1489 CG LEU A 93 -1.025 -3.505 1.690 1.00 0.00 C ATOM 1490 CD1 LEU A 93 -2.457 -3.574 2.195 1.00 0.00 C ATOM 1491 CD2 LEU A 93 -0.898 -2.442 0.611 1.00 0.00 C ATOM 0 H LEU A 93 -0.225 -5.753 2.965 1.00 0.00 H new ATOM 0 HA LEU A 93 1.845 -3.894 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.585 -3.308 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.322 -2.215 2.759 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.768 -4.471 1.256 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.129 -3.764 1.358 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.548 -4.380 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.723 -2.628 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.603 -2.654 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.117 -1.463 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.117 -2.446 0.214 1.00 0.00 H new ATOM 1503 N VAL A 94 3.034 -4.771 4.284 1.00 0.00 N ATOM 1504 CA VAL A 94 3.865 -4.770 5.481 1.00 0.00 C ATOM 1505 C VAL A 94 4.236 -3.341 5.887 1.00 0.00 C ATOM 1506 O VAL A 94 3.458 -2.659 6.553 1.00 0.00 O ATOM 1507 CB VAL A 94 5.140 -5.630 5.274 1.00 0.00 C ATOM 1508 CG1 VAL A 94 5.771 -5.361 3.916 1.00 0.00 C ATOM 1509 CG2 VAL A 94 6.144 -5.416 6.402 1.00 0.00 C ATOM 0 H VAL A 94 3.400 -5.341 3.522 1.00 0.00 H new ATOM 0 HA VAL A 94 3.286 -5.214 6.290 1.00 0.00 H new ATOM 0 HB VAL A 94 4.838 -6.677 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.662 -5.978 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.057 -5.603 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.047 -4.309 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.025 -6.033 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.436 -4.366 6.435 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.689 -5.696 7.352 1.00 0.00 H new ATOM 1519 N ARG A 95 5.419 -2.890 5.484 1.00 0.00 N ATOM 1520 CA ARG A 95 5.868 -1.544 5.813 1.00 0.00 C ATOM 1521 C ARG A 95 7.045 -1.113 4.966 1.00 0.00 C ATOM 1522 O ARG A 95 7.589 -1.881 4.172 1.00 0.00 O ATOM 1523 CB ARG A 95 6.261 -1.408 7.281 1.00 0.00 C ATOM 1524 CG ARG A 95 5.099 -1.061 8.194 1.00 0.00 C ATOM 1525 CD ARG A 95 4.655 -2.263 9.013 1.00 0.00 C ATOM 1526 NE ARG A 95 3.206 -2.306 9.186 1.00 0.00 N ATOM 1527 CZ ARG A 95 2.593 -3.015 10.131 1.00 0.00 C ATOM 1528 NH1 ARG A 95 3.301 -3.731 10.997 1.00 0.00 N ATOM 1529 NH2 ARG A 95 1.270 -3.005 10.214 1.00 0.00 N ATOM 0 H ARG A 95 6.081 -3.435 4.931 1.00 0.00 H new ATOM 0 HA ARG A 95 5.014 -0.898 5.606 1.00 0.00 H new ATOM 0 HB2 ARG A 95 6.708 -2.344 7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.027 -0.638 7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.390 -0.251 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.263 -0.697 7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.988 -3.178 8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.135 -2.232 9.991 1.00 0.00 H new ATOM 0 HE ARG A 95 2.630 -1.761 8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 95 4.319 -3.739 10.940 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.826 -4.273 11.719 1.00 0.00 H new ATOM 0 HH21 ARG A 95 0.722 -2.454 9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 95 0.800 -3.548 10.938 1.00 0.00 H new ATOM 1543 N ALA A 96 7.423 0.136 5.164 1.00 0.00 N ATOM 1544 CA ALA A 96 8.530 0.741 4.457 1.00 0.00 C ATOM 1545 C ALA A 96 9.867 0.264 5.017 1.00 0.00 C ATOM 1546 O ALA A 96 10.093 0.304 6.227 1.00 0.00 O ATOM 1547 CB ALA A 96 8.414 2.244 4.589 1.00 0.00 C ATOM 0 H ALA A 96 6.965 0.762 5.826 1.00 0.00 H new ATOM 0 HA ALA A 96 8.492 0.449 3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.241 2.720 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.469 2.575 4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.448 2.520 5.643 1.00 0.00 H new ATOM 1553 N LEU A 97 10.748 -0.186 4.128 1.00 0.00 N ATOM 1554 CA LEU A 97 12.067 -0.671 4.526 1.00 0.00 C ATOM 1555 C LEU A 97 11.954 -1.935 5.376 1.00 0.00 C ATOM 1556 O LEU A 97 12.243 -3.036 4.906 1.00 0.00 O ATOM 1557 CB LEU A 97 12.830 0.413 5.294 1.00 0.00 C ATOM 1558 CG LEU A 97 13.035 1.730 4.539 1.00 0.00 C ATOM 1559 CD1 LEU A 97 13.529 1.468 3.124 1.00 0.00 C ATOM 1560 CD2 LEU A 97 11.745 2.536 4.514 1.00 0.00 C ATOM 0 H LEU A 97 10.572 -0.225 3.124 1.00 0.00 H new ATOM 0 HA LEU A 97 12.620 -0.916 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.295 0.624 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 97 13.807 0.018 5.573 1.00 0.00 H new ATOM 0 HG LEU A 97 13.794 2.310 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.668 2.417 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 97 14.478 0.933 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.795 0.866 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.909 3.468 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.966 1.960 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.435 2.758 5.535 1.00 0.00 H new ATOM 1572 N GLN A 98 11.532 -1.772 6.626 1.00 0.00 N ATOM 1573 CA GLN A 98 11.382 -2.902 7.536 1.00 0.00 C ATOM 1574 C GLN A 98 9.982 -2.928 8.141 1.00 0.00 C ATOM 1575 O GLN A 98 9.444 -4.037 8.339 1.00 0.00 O ATOM 1576 CB GLN A 98 12.433 -2.830 8.648 1.00 0.00 C ATOM 1577 CG GLN A 98 13.630 -3.736 8.412 1.00 0.00 C ATOM 1578 CD GLN A 98 14.652 -3.119 7.477 1.00 0.00 C ATOM 1579 OE1 GLN A 98 14.381 -2.906 6.296 1.00 0.00 O ATOM 1580 NE2 GLN A 98 15.836 -2.829 8.004 1.00 0.00 N ATOM 1581 OXT GLN A 98 9.436 -1.838 8.412 1.00 0.00 O ATOM 0 H GLN A 98 11.288 -0.869 7.032 1.00 0.00 H new ATOM 0 HA GLN A 98 11.529 -3.820 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.780 -1.801 8.743 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.966 -3.098 9.596 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.105 -3.960 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.288 -4.684 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.017 -3.023 8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.564 -2.412 7.424 1.00 0.00 H new