USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 809 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 ASN : amide:sc= -0.919 K(o=-1.7,f=-6!) USER MOD Set 1.2: A 31 SER OG : rot -123:sc= -0.748 USER MOD Set 1.3: A 33 GLN :FLIP amide:sc= 0 F(o=-2.6,f=-1.7) USER MOD Single : A 9 GLN :FLIP amide:sc= -1.06 F(o=-1.9,f=-1.1) USER MOD Single : A 10 MET CE :methyl -129:sc= -3.8! (180deg=-8.41!) USER MOD Single : A 13 MET CE :methyl -171:sc= -6.13! (180deg=-6.36!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= 0.128 (180deg=-0.0231) USER MOD Single : A 18 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.9) USER MOD Single : A 20 MET CE :methyl 165:sc= -4.32! (180deg=-5.48!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.64 K(o=-0.64,f=-3.3!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 113:sc= -7.64! USER MOD Single : A 43 SER OG : rot -36:sc= -0.0865 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.4 F(o=-3,f=-1.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -6.42! C(o=-6.4!,f=-6.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.338 X(o=-0.34,f=-0.25) USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= -2.35 (180deg=-2.86) USER MOD Single : A 95 TYR OH : rot 30:sc= -2.21 USER MOD Single : A 98 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 171:sc= -4.26! (180deg=-4.53!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.266 X(o=0.27,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -5.221 -14.267 0.641 1.00 0.00 N ATOM 67 CA GLU A 8 -5.587 -13.095 1.418 1.00 0.00 C ATOM 68 C GLU A 8 -5.537 -11.842 0.542 1.00 0.00 C ATOM 69 O GLU A 8 -4.529 -11.575 -0.109 1.00 0.00 O ATOM 70 CB GLU A 8 -4.682 -12.945 2.643 1.00 0.00 C ATOM 71 CG GLU A 8 -5.352 -13.517 3.893 1.00 0.00 C ATOM 72 CD GLU A 8 -6.730 -12.889 4.113 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.764 -11.788 4.704 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.718 -13.524 3.685 1.00 0.00 O ATOM 0 HA GLU A 8 -6.608 -13.224 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.737 -13.458 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.449 -11.892 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.453 -14.598 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.722 -13.334 4.764 1.00 0.00 H new ATOM 81 N GLN A 9 -6.639 -11.106 0.555 1.00 0.00 N ATOM 82 CA GLN A 9 -6.734 -9.887 -0.230 1.00 0.00 C ATOM 83 C GLN A 9 -7.053 -8.696 0.676 1.00 0.00 C ATOM 84 O GLN A 9 -7.757 -8.841 1.674 1.00 0.00 O ATOM 85 CB GLN A 9 -7.780 -10.028 -1.337 1.00 0.00 C ATOM 86 CG GLN A 9 -9.111 -10.529 -0.774 1.00 0.00 C ATOM 87 CD GLN A 9 -9.112 -12.054 -0.642 1.00 0.00 C ATOM 88 OE1 GLN A 9 -9.276 -12.489 0.604 1.00 0.00 O flip ATOM 89 NE2 GLN A 9 -8.972 -12.786 -1.607 1.00 0.00 N flip ATOM 0 H GLN A 9 -7.474 -11.331 1.097 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.770 -9.709 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.928 -9.066 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.419 -10.721 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.291 -10.076 0.201 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.926 -10.216 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.850 -12.386 -2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.976 -13.799 -1.484 1.00 0.00 H new ATOM 98 N MET A 10 -6.518 -7.544 0.296 1.00 0.00 N ATOM 99 CA MET A 10 -6.737 -6.329 1.062 1.00 0.00 C ATOM 100 C MET A 10 -6.785 -5.105 0.145 1.00 0.00 C ATOM 101 O MET A 10 -5.897 -4.909 -0.682 1.00 0.00 O ATOM 102 CB MET A 10 -5.610 -6.159 2.082 1.00 0.00 C ATOM 103 CG MET A 10 -5.713 -4.807 2.792 1.00 0.00 C ATOM 104 SD MET A 10 -5.185 -4.968 4.490 1.00 0.00 S ATOM 105 CE MET A 10 -5.617 -3.348 5.103 1.00 0.00 C ATOM 0 H MET A 10 -5.934 -7.427 -0.532 1.00 0.00 H new ATOM 0 HA MET A 10 -7.695 -6.413 1.576 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.654 -6.964 2.816 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.646 -6.238 1.580 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.096 -4.069 2.279 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.740 -4.445 2.755 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.759 -2.911 5.613 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.907 -2.709 4.269 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.449 -3.433 5.801 1.00 0.00 H new ATOM 115 N GLU A 11 -7.832 -4.313 0.324 1.00 0.00 N ATOM 116 CA GLU A 11 -8.008 -3.113 -0.477 1.00 0.00 C ATOM 117 C GLU A 11 -8.499 -1.958 0.398 1.00 0.00 C ATOM 118 O GLU A 11 -9.499 -2.090 1.103 1.00 0.00 O ATOM 119 CB GLU A 11 -8.969 -3.366 -1.640 1.00 0.00 C ATOM 120 CG GLU A 11 -10.254 -4.040 -1.154 1.00 0.00 C ATOM 121 CD GLU A 11 -11.279 -4.146 -2.285 1.00 0.00 C ATOM 122 OE1 GLU A 11 -11.899 -3.104 -2.588 1.00 0.00 O ATOM 123 OE2 GLU A 11 -11.420 -5.267 -2.820 1.00 0.00 O ATOM 0 H GLU A 11 -8.567 -4.479 1.012 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.042 -2.838 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.212 -2.422 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.484 -3.995 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.025 -5.035 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.677 -3.470 -0.327 1.00 0.00 H new ATOM 130 N GLY A 12 -7.773 -0.852 0.325 1.00 0.00 N ATOM 131 CA GLY A 12 -8.123 0.325 1.102 1.00 0.00 C ATOM 132 C GLY A 12 -7.301 1.538 0.659 1.00 0.00 C ATOM 133 O GLY A 12 -6.194 1.388 0.144 1.00 0.00 O ATOM 0 H GLY A 12 -6.944 -0.746 -0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.185 0.539 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.950 0.131 2.161 1.00 0.00 H new ATOM 137 N MET A 13 -7.876 2.712 0.875 1.00 0.00 N ATOM 138 CA MET A 13 -7.211 3.950 0.504 1.00 0.00 C ATOM 139 C MET A 13 -5.861 4.080 1.213 1.00 0.00 C ATOM 140 O MET A 13 -5.793 4.038 2.440 1.00 0.00 O ATOM 141 CB MET A 13 -8.099 5.138 0.876 1.00 0.00 C ATOM 142 CG MET A 13 -7.732 6.376 0.055 1.00 0.00 C ATOM 143 SD MET A 13 -9.018 6.723 -1.133 1.00 0.00 S ATOM 144 CE MET A 13 -8.121 6.448 -2.651 1.00 0.00 C ATOM 0 H MET A 13 -8.794 2.832 1.302 1.00 0.00 H new ATOM 0 HA MET A 13 -7.036 3.939 -0.572 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.145 4.882 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.993 5.357 1.938 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.594 7.233 0.715 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.785 6.214 -0.459 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.727 6.775 -3.496 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.190 7.015 -2.631 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.897 5.386 -2.754 1.00 0.00 H new ATOM 154 N LEU A 14 -4.819 4.236 0.409 1.00 0.00 N ATOM 155 CA LEU A 14 -3.475 4.373 0.943 1.00 0.00 C ATOM 156 C LEU A 14 -2.706 5.408 0.120 1.00 0.00 C ATOM 157 O LEU A 14 -3.052 5.672 -1.031 1.00 0.00 O ATOM 158 CB LEU A 14 -2.785 3.009 1.015 1.00 0.00 C ATOM 159 CG LEU A 14 -2.547 2.451 2.420 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.829 2.498 3.253 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.956 1.041 2.356 1.00 0.00 C ATOM 0 H LEU A 14 -4.879 4.271 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.509 4.742 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.385 2.290 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.823 3.083 0.507 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.815 3.085 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.632 2.096 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.169 3.530 3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.601 1.902 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.796 0.667 3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.646 0.381 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.004 1.069 1.825 1.00 0.00 H new ATOM 173 N CYS A 15 -1.678 5.966 0.741 1.00 0.00 N ATOM 174 CA CYS A 15 -0.858 6.967 0.080 1.00 0.00 C ATOM 175 C CYS A 15 0.372 6.269 -0.505 1.00 0.00 C ATOM 176 O CYS A 15 1.358 6.050 0.196 1.00 0.00 O ATOM 177 CB CYS A 15 -0.471 8.101 1.033 1.00 0.00 C ATOM 178 SG CYS A 15 -0.918 9.716 0.297 1.00 0.00 S ATOM 0 H CYS A 15 -1.394 5.744 1.695 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.427 7.434 -0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.980 7.974 1.988 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.600 8.068 1.235 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.588 10.672 1.114 1.00 0.00 H new ATOM 184 N ARG A 16 0.273 5.941 -1.785 1.00 0.00 N ATOM 185 CA ARG A 16 1.365 5.273 -2.473 1.00 0.00 C ATOM 186 C ARG A 16 2.329 6.303 -3.064 1.00 0.00 C ATOM 187 O ARG A 16 1.931 7.137 -3.876 1.00 0.00 O ATOM 188 CB ARG A 16 0.841 4.373 -3.593 1.00 0.00 C ATOM 189 CG ARG A 16 1.990 3.650 -4.298 1.00 0.00 C ATOM 190 CD ARG A 16 1.762 3.602 -5.811 1.00 0.00 C ATOM 191 NE ARG A 16 2.114 4.906 -6.417 1.00 0.00 N ATOM 192 CZ ARG A 16 2.254 5.108 -7.734 1.00 0.00 C ATOM 193 NH1 ARG A 16 2.074 4.094 -8.591 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.574 6.325 -8.194 1.00 0.00 N ATOM 0 H ARG A 16 -0.546 6.125 -2.364 1.00 0.00 H new ATOM 0 HA ARG A 16 1.890 4.657 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.145 3.642 -3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.285 4.971 -4.315 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.930 4.159 -4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.080 2.636 -3.908 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.367 2.811 -6.253 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.720 3.363 -6.023 1.00 0.00 H new ATOM 0 HE ARG A 16 2.259 5.700 -5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.830 3.168 -8.241 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.181 4.249 -9.594 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.711 7.097 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.681 6.479 -9.197 1.00 0.00 H new ATOM 208 N LYS A 17 3.579 6.212 -2.634 1.00 0.00 N ATOM 209 CA LYS A 17 4.603 7.126 -3.110 1.00 0.00 C ATOM 210 C LYS A 17 5.769 6.322 -3.688 1.00 0.00 C ATOM 211 O LYS A 17 6.627 5.845 -2.947 1.00 0.00 O ATOM 212 CB LYS A 17 5.015 8.095 -2.000 1.00 0.00 C ATOM 213 CG LYS A 17 6.106 9.052 -2.485 1.00 0.00 C ATOM 214 CD LYS A 17 7.202 9.213 -1.429 1.00 0.00 C ATOM 215 CE LYS A 17 8.313 10.138 -1.930 1.00 0.00 C ATOM 216 NZ LYS A 17 9.202 10.531 -0.814 1.00 0.00 N ATOM 0 H LYS A 17 3.906 5.519 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 17 4.213 7.748 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.147 8.665 -1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.375 7.534 -1.138 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.540 8.675 -3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.668 10.024 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.773 9.618 -0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.620 8.237 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.892 9.635 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.877 11.027 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.391 11.553 -0.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.742 10.307 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.099 10.010 -0.885 1.00 0.00 H new ATOM 230 N GLN A 18 5.763 6.196 -5.007 1.00 0.00 N ATOM 231 CA GLN A 18 6.809 5.457 -5.693 1.00 0.00 C ATOM 232 C GLN A 18 8.174 6.095 -5.423 1.00 0.00 C ATOM 233 O GLN A 18 8.465 7.181 -5.921 1.00 0.00 O ATOM 234 CB GLN A 18 6.530 5.378 -7.196 1.00 0.00 C ATOM 235 CG GLN A 18 7.544 4.471 -7.895 1.00 0.00 C ATOM 236 CD GLN A 18 6.980 3.930 -9.211 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.957 4.373 -9.706 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.703 2.950 -9.747 1.00 0.00 N ATOM 0 H GLN A 18 5.050 6.593 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 18 6.821 4.439 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.522 4.999 -7.363 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.571 6.377 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.461 5.027 -8.090 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.807 3.641 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.550 2.627 -9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.410 2.522 -10.625 1.00 0.00 H new ATOM 247 N GLU A 19 8.974 5.392 -4.635 1.00 0.00 N ATOM 248 CA GLU A 19 10.300 5.876 -4.292 1.00 0.00 C ATOM 249 C GLU A 19 11.327 5.374 -5.309 1.00 0.00 C ATOM 250 O GLU A 19 12.158 6.144 -5.789 1.00 0.00 O ATOM 251 CB GLU A 19 10.686 5.458 -2.871 1.00 0.00 C ATOM 252 CG GLU A 19 9.895 6.255 -1.832 1.00 0.00 C ATOM 253 CD GLU A 19 10.713 7.437 -1.308 1.00 0.00 C ATOM 254 OE1 GLU A 19 10.933 8.373 -2.106 1.00 0.00 O ATOM 255 OE2 GLU A 19 11.100 7.377 -0.121 1.00 0.00 O ATOM 0 H GLU A 19 8.729 4.491 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 19 10.288 6.965 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.498 4.393 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.754 5.615 -2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.968 6.618 -2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.618 5.604 -1.003 1.00 0.00 H new ATOM 262 N MET A 20 11.237 4.086 -5.607 1.00 0.00 N ATOM 263 CA MET A 20 12.148 3.473 -6.558 1.00 0.00 C ATOM 264 C MET A 20 11.380 2.732 -7.654 1.00 0.00 C ATOM 265 O MET A 20 10.343 2.125 -7.389 1.00 0.00 O ATOM 266 CB MET A 20 13.066 2.492 -5.826 1.00 0.00 C ATOM 267 CG MET A 20 13.884 3.207 -4.748 1.00 0.00 C ATOM 268 SD MET A 20 15.555 2.578 -4.733 1.00 0.00 S ATOM 269 CE MET A 20 16.096 3.097 -6.352 1.00 0.00 C ATOM 0 H MET A 20 10.547 3.450 -5.206 1.00 0.00 H new ATOM 0 HA MET A 20 12.740 4.260 -7.024 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.470 1.701 -5.371 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.737 2.014 -6.540 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.892 4.280 -4.938 1.00 0.00 H new ATOM 0 HG3 MET A 20 13.422 3.060 -3.772 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.182 3.027 -6.413 1.00 0.00 H new ATOM 0 HE2 MET A 20 15.648 2.453 -7.109 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.789 4.128 -6.525 1.00 0.00 H new ATOM 279 N GLU A 21 11.918 2.806 -8.863 1.00 0.00 N ATOM 280 CA GLU A 21 11.295 2.149 -10.000 1.00 0.00 C ATOM 281 C GLU A 21 12.062 0.876 -10.363 1.00 0.00 C ATOM 282 O GLU A 21 11.592 0.072 -11.166 1.00 0.00 O ATOM 283 CB GLU A 21 11.206 3.097 -11.198 1.00 0.00 C ATOM 284 CG GLU A 21 11.045 2.316 -12.504 1.00 0.00 C ATOM 285 CD GLU A 21 10.501 3.214 -13.617 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.733 4.139 -13.274 1.00 0.00 O ATOM 287 OE2 GLU A 21 10.864 2.955 -14.784 1.00 0.00 O ATOM 0 H GLU A 21 12.778 3.310 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 21 10.279 1.870 -9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.362 3.774 -11.069 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.104 3.713 -11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.007 1.901 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.370 1.475 -12.348 1.00 0.00 H new ATOM 294 N ALA A 22 13.230 0.734 -9.755 1.00 0.00 N ATOM 295 CA ALA A 22 14.067 -0.428 -10.004 1.00 0.00 C ATOM 296 C ALA A 22 15.399 -0.259 -9.270 1.00 0.00 C ATOM 297 O ALA A 22 15.680 0.807 -8.725 1.00 0.00 O ATOM 298 CB ALA A 22 14.251 -0.610 -11.512 1.00 0.00 C ATOM 0 H ALA A 22 13.617 1.404 -9.090 1.00 0.00 H new ATOM 0 HA ALA A 22 13.593 -1.332 -9.622 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.879 -1.481 -11.699 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.278 -0.755 -11.982 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.727 0.277 -11.930 1.00 0.00 H new ATOM 304 N PHE A 23 16.183 -1.327 -9.280 1.00 0.00 N ATOM 305 CA PHE A 23 17.479 -1.310 -8.622 1.00 0.00 C ATOM 306 C PHE A 23 18.275 -0.063 -9.012 1.00 0.00 C ATOM 307 O PHE A 23 18.663 0.095 -10.168 1.00 0.00 O ATOM 308 CB PHE A 23 18.236 -2.552 -9.095 1.00 0.00 C ATOM 309 CG PHE A 23 17.500 -3.867 -8.832 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.159 -4.214 -7.561 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.186 -4.690 -9.868 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.476 -5.435 -7.317 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.503 -5.911 -9.624 1.00 0.00 C ATOM 314 CZ PHE A 23 16.162 -6.257 -8.354 1.00 0.00 C ATOM 0 H PHE A 23 15.946 -2.210 -9.733 1.00 0.00 H new ATOM 0 HA PHE A 23 17.347 -1.301 -7.540 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.428 -2.463 -10.164 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.206 -2.585 -8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.408 -3.561 -6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.456 -4.415 -10.877 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.206 -5.711 -6.308 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.254 -6.565 -10.447 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.642 -7.185 -8.169 1.00 0.00 H new ATOM 324 N GLY A 24 18.495 0.792 -8.024 1.00 0.00 N ATOM 325 CA GLY A 24 19.238 2.020 -8.248 1.00 0.00 C ATOM 326 C GLY A 24 18.478 2.956 -9.190 1.00 0.00 C ATOM 327 O GLY A 24 19.061 3.880 -9.756 1.00 0.00 O ATOM 0 H GLY A 24 18.171 0.658 -7.066 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.415 2.521 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.215 1.786 -8.672 1.00 0.00 H new ATOM 331 N LYS A 25 17.189 2.686 -9.327 1.00 0.00 N ATOM 332 CA LYS A 25 16.343 3.493 -10.191 1.00 0.00 C ATOM 333 C LYS A 25 15.391 4.327 -9.330 1.00 0.00 C ATOM 334 O LYS A 25 14.695 3.790 -8.470 1.00 0.00 O ATOM 335 CB LYS A 25 15.630 2.611 -11.218 1.00 0.00 C ATOM 336 CG LYS A 25 14.510 3.382 -11.919 1.00 0.00 C ATOM 337 CD LYS A 25 14.964 3.884 -13.291 1.00 0.00 C ATOM 338 CE LYS A 25 15.670 5.236 -13.174 1.00 0.00 C ATOM 339 NZ LYS A 25 15.068 6.218 -14.104 1.00 0.00 N ATOM 0 H LYS A 25 16.709 1.920 -8.855 1.00 0.00 H new ATOM 0 HA LYS A 25 16.946 4.192 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.348 2.254 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.217 1.732 -10.723 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.638 2.739 -12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.204 4.227 -11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.637 3.156 -13.744 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.102 3.976 -13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.597 5.604 -12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.731 5.119 -13.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.559 7.130 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.160 5.873 -15.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.061 6.342 -13.874 1.00 0.00 H new ATOM 353 N LYS A 26 15.392 5.625 -9.592 1.00 0.00 N ATOM 354 CA LYS A 26 14.537 6.538 -8.853 1.00 0.00 C ATOM 355 C LYS A 26 13.294 6.854 -9.686 1.00 0.00 C ATOM 356 O LYS A 26 13.380 7.001 -10.905 1.00 0.00 O ATOM 357 CB LYS A 26 15.322 7.780 -8.425 1.00 0.00 C ATOM 358 CG LYS A 26 15.648 8.665 -9.629 1.00 0.00 C ATOM 359 CD LYS A 26 17.148 8.653 -9.929 1.00 0.00 C ATOM 360 CE LYS A 26 17.443 7.885 -11.219 1.00 0.00 C ATOM 361 NZ LYS A 26 18.120 8.762 -12.201 1.00 0.00 N ATOM 0 H LYS A 26 15.971 6.067 -10.306 1.00 0.00 H new ATOM 0 HA LYS A 26 14.192 6.073 -7.929 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.742 8.348 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.245 7.478 -7.930 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.096 8.315 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.321 9.686 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.513 9.676 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.685 8.195 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.071 7.022 -11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.514 7.504 -11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.313 8.225 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.507 9.572 -12.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.016 9.105 -11.800 1.00 0.00 H new ATOM 375 N ALA A 27 12.166 6.950 -8.997 1.00 0.00 N ATOM 376 CA ALA A 27 10.907 7.246 -9.658 1.00 0.00 C ATOM 377 C ALA A 27 10.897 8.713 -10.093 1.00 0.00 C ATOM 378 O ALA A 27 11.232 9.599 -9.309 1.00 0.00 O ATOM 379 CB ALA A 27 9.746 6.908 -8.721 1.00 0.00 C ATOM 0 H ALA A 27 12.098 6.828 -7.987 1.00 0.00 H new ATOM 0 HA ALA A 27 10.791 6.636 -10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.801 7.130 -9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.781 5.849 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.827 7.504 -7.812 1.00 0.00 H new ATOM 385 N ALA A 28 10.509 8.924 -11.343 1.00 0.00 N ATOM 386 CA ALA A 28 10.452 10.268 -11.892 1.00 0.00 C ATOM 387 C ALA A 28 9.590 11.148 -10.984 1.00 0.00 C ATOM 388 O ALA A 28 10.098 12.061 -10.336 1.00 0.00 O ATOM 389 CB ALA A 28 9.919 10.211 -13.325 1.00 0.00 C ATOM 0 H ALA A 28 10.231 8.187 -11.991 1.00 0.00 H new ATOM 0 HA ALA A 28 11.448 10.710 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.876 11.219 -13.738 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.581 9.597 -13.935 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.919 9.776 -13.324 1.00 0.00 H new ATOM 395 N ASN A 29 8.301 10.842 -10.967 1.00 0.00 N ATOM 396 CA ASN A 29 7.364 11.594 -10.150 1.00 0.00 C ATOM 397 C ASN A 29 7.813 11.542 -8.688 1.00 0.00 C ATOM 398 O ASN A 29 8.224 12.556 -8.125 1.00 0.00 O ATOM 399 CB ASN A 29 5.958 10.997 -10.233 1.00 0.00 C ATOM 400 CG ASN A 29 4.892 12.091 -10.147 1.00 0.00 C ATOM 401 OD1 ASN A 29 5.183 13.274 -10.084 1.00 0.00 O ATOM 402 ND2 ASN A 29 3.644 11.631 -10.148 1.00 0.00 N ATOM 0 H ASN A 29 7.883 10.083 -11.506 1.00 0.00 H new ATOM 0 HA ASN A 29 7.343 12.619 -10.519 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.847 10.448 -11.168 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.815 10.280 -9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.861 12.282 -10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.470 10.627 -10.203 1.00 0.00 H new ATOM 409 N ARG A 30 7.720 10.351 -8.115 1.00 0.00 N ATOM 410 CA ARG A 30 8.112 10.154 -6.730 1.00 0.00 C ATOM 411 C ARG A 30 7.428 11.187 -5.833 1.00 0.00 C ATOM 412 O ARG A 30 8.077 11.816 -4.998 1.00 0.00 O ATOM 413 CB ARG A 30 9.629 10.270 -6.565 1.00 0.00 C ATOM 414 CG ARG A 30 10.071 9.765 -5.190 1.00 0.00 C ATOM 415 CD ARG A 30 11.596 9.773 -5.067 1.00 0.00 C ATOM 416 NE ARG A 30 11.992 10.241 -3.720 1.00 0.00 N ATOM 417 CZ ARG A 30 11.857 11.504 -3.293 1.00 0.00 C ATOM 418 NH1 ARG A 30 11.334 12.433 -4.105 1.00 0.00 N ATOM 419 NH2 ARG A 30 12.244 11.837 -2.054 1.00 0.00 N ATOM 0 H ARG A 30 7.379 9.513 -8.585 1.00 0.00 H new ATOM 0 HA ARG A 30 7.802 9.151 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.128 9.695 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.934 11.309 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.637 10.392 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.695 8.754 -5.032 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.989 8.772 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.027 10.423 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 30 12.393 9.559 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.039 12.179 -5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.231 13.394 -3.780 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.641 11.129 -1.436 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.141 12.798 -1.729 1.00 0.00 H new ATOM 433 N SER A 31 6.127 11.331 -6.036 1.00 0.00 N ATOM 434 CA SER A 31 5.348 12.277 -5.255 1.00 0.00 C ATOM 435 C SER A 31 4.238 11.544 -4.499 1.00 0.00 C ATOM 436 O SER A 31 3.712 10.541 -4.981 1.00 0.00 O ATOM 437 CB SER A 31 4.751 13.367 -6.148 1.00 0.00 C ATOM 438 OG SER A 31 4.700 12.970 -7.515 1.00 0.00 O ATOM 0 H SER A 31 5.592 10.809 -6.730 1.00 0.00 H new ATOM 0 HA SER A 31 6.013 12.756 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.745 13.608 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.345 14.276 -6.057 1.00 0.00 H new ATOM 0 HG SER A 31 5.195 13.615 -8.062 1.00 0.00 H new ATOM 444 N TRP A 32 3.915 12.072 -3.328 1.00 0.00 N ATOM 445 CA TRP A 32 2.877 11.480 -2.501 1.00 0.00 C ATOM 446 C TRP A 32 1.535 11.689 -3.205 1.00 0.00 C ATOM 447 O TRP A 32 1.175 12.816 -3.540 1.00 0.00 O ATOM 448 CB TRP A 32 2.907 12.060 -1.085 1.00 0.00 C ATOM 449 CG TRP A 32 4.009 11.479 -0.198 1.00 0.00 C ATOM 450 CD1 TRP A 32 5.208 12.008 0.082 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.965 10.228 0.521 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.937 11.192 0.924 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.157 10.076 1.199 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.951 9.257 0.595 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.447 8.964 2.000 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.256 8.152 1.399 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.451 7.984 2.088 1.00 0.00 C ATOM 0 H TRP A 32 4.354 12.903 -2.932 1.00 0.00 H new ATOM 0 HA TRP A 32 3.043 10.410 -2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.038 13.140 -1.149 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.942 11.883 -0.610 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.560 12.954 -0.303 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.876 11.375 1.279 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.011 9.356 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.388 8.868 2.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.510 7.376 1.490 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.611 7.101 2.689 1.00 0.00 H new ATOM 468 N GLN A 33 0.831 10.584 -3.407 1.00 0.00 N ATOM 469 CA GLN A 33 -0.463 10.633 -4.065 1.00 0.00 C ATOM 470 C GLN A 33 -1.393 9.564 -3.486 1.00 0.00 C ATOM 471 O GLN A 33 -1.007 8.403 -3.359 1.00 0.00 O ATOM 472 CB GLN A 33 -0.316 10.469 -5.579 1.00 0.00 C ATOM 473 CG GLN A 33 0.296 11.722 -6.209 1.00 0.00 C ATOM 474 CD GLN A 33 0.631 11.486 -7.684 1.00 0.00 C ATOM 475 OE1 GLN A 33 1.747 10.791 -7.880 1.00 0.00 O flip ATOM 476 NE2 GLN A 33 -0.077 11.908 -8.583 1.00 0.00 N flip ATOM 0 H GLN A 33 1.132 9.651 -3.127 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.905 11.612 -3.880 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.312 9.605 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.292 10.273 -6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.400 12.556 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.200 12.002 -5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.922 12.435 -8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.176 11.734 -9.556 1.00 0.00 H new ATOM 485 N ASN A 34 -2.600 9.995 -3.151 1.00 0.00 N ATOM 486 CA ASN A 34 -3.588 9.089 -2.588 1.00 0.00 C ATOM 487 C ASN A 34 -3.988 8.058 -3.645 1.00 0.00 C ATOM 488 O ASN A 34 -4.748 8.366 -4.562 1.00 0.00 O ATOM 489 CB ASN A 34 -4.849 9.845 -2.164 1.00 0.00 C ATOM 490 CG ASN A 34 -5.394 10.693 -3.315 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.799 11.671 -3.735 1.00 0.00 O ATOM 492 ND2 ASN A 34 -6.556 10.264 -3.799 1.00 0.00 N ATOM 0 H ASN A 34 -2.917 10.959 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.146 8.607 -1.716 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.610 9.136 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.624 10.485 -1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.003 10.762 -4.569 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.000 9.437 -3.400 1.00 0.00 H new ATOM 499 N VAL A 35 -3.459 6.854 -3.481 1.00 0.00 N ATOM 500 CA VAL A 35 -3.752 5.775 -4.409 1.00 0.00 C ATOM 501 C VAL A 35 -4.321 4.584 -3.637 1.00 0.00 C ATOM 502 O VAL A 35 -3.696 4.093 -2.697 1.00 0.00 O ATOM 503 CB VAL A 35 -2.499 5.423 -5.214 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.802 4.347 -6.258 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.899 6.669 -5.868 1.00 0.00 C ATOM 0 H VAL A 35 -2.829 6.602 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.509 6.086 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.759 5.019 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.895 4.116 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.161 3.447 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.567 4.711 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.010 6.391 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.632 7.116 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.627 7.390 -5.097 1.00 0.00 H new ATOM 515 N TYR A 36 -5.500 4.153 -4.061 1.00 0.00 N ATOM 516 CA TYR A 36 -6.160 3.028 -3.420 1.00 0.00 C ATOM 517 C TYR A 36 -5.416 1.722 -3.703 1.00 0.00 C ATOM 518 O TYR A 36 -5.347 1.277 -4.847 1.00 0.00 O ATOM 519 CB TYR A 36 -7.557 2.950 -4.041 1.00 0.00 C ATOM 520 CG TYR A 36 -8.567 2.164 -3.203 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.155 2.751 -2.101 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.890 0.867 -3.549 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.106 2.012 -1.313 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.841 0.128 -2.760 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.402 0.736 -1.681 1.00 0.00 C ATOM 526 OH TYR A 36 -11.300 0.037 -0.936 1.00 0.00 O ATOM 0 H TYR A 36 -6.015 4.562 -4.840 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.189 3.165 -2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.934 3.962 -4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.481 2.489 -5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.901 3.765 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.430 0.407 -4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.574 2.460 -0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.103 -0.887 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.414 -0.859 -1.317 1.00 0.00 H new ATOM 536 N CYS A 37 -4.876 1.144 -2.639 1.00 0.00 N ATOM 537 CA CYS A 37 -4.139 -0.102 -2.758 1.00 0.00 C ATOM 538 C CYS A 37 -5.146 -1.253 -2.813 1.00 0.00 C ATOM 539 O CYS A 37 -6.005 -1.373 -1.940 1.00 0.00 O ATOM 540 CB CYS A 37 -3.135 -0.277 -1.617 1.00 0.00 C ATOM 541 SG CYS A 37 -1.427 -0.207 -2.271 1.00 0.00 S ATOM 0 H CYS A 37 -4.935 1.516 -1.691 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.549 -0.092 -3.675 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.280 0.504 -0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.303 -1.231 -1.117 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.835 0.861 -1.825 1.00 0.00 H new ATOM 547 N VAL A 38 -5.008 -2.070 -3.847 1.00 0.00 N ATOM 548 CA VAL A 38 -5.895 -3.206 -4.027 1.00 0.00 C ATOM 549 C VAL A 38 -5.062 -4.485 -4.140 1.00 0.00 C ATOM 550 O VAL A 38 -4.459 -4.746 -5.180 1.00 0.00 O ATOM 551 CB VAL A 38 -6.803 -2.975 -5.236 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.361 -4.299 -5.764 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.933 -2.001 -4.895 1.00 0.00 C ATOM 0 H VAL A 38 -4.295 -1.967 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.550 -3.320 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.201 -2.526 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.003 -4.106 -6.623 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.538 -4.947 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.940 -4.788 -4.981 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.564 -1.854 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.532 -2.409 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.509 -1.045 -4.589 1.00 0.00 H new ATOM 563 N LEU A 39 -5.057 -5.247 -3.057 1.00 0.00 N ATOM 564 CA LEU A 39 -4.308 -6.492 -3.022 1.00 0.00 C ATOM 565 C LEU A 39 -5.256 -7.660 -3.300 1.00 0.00 C ATOM 566 O LEU A 39 -6.417 -7.633 -2.895 1.00 0.00 O ATOM 567 CB LEU A 39 -3.544 -6.621 -1.702 1.00 0.00 C ATOM 568 CG LEU A 39 -2.702 -7.888 -1.535 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.259 -7.542 -1.165 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.341 -8.841 -0.523 1.00 0.00 C ATOM 0 H LEU A 39 -5.559 -5.027 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.550 -6.503 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.888 -5.757 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.262 -6.576 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.673 -8.408 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.682 -8.460 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.818 -6.931 -1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.247 -6.988 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.723 -9.733 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.421 -8.345 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.335 -9.125 -0.868 1.00 0.00 H new ATOM 582 N ARG A 40 -4.725 -8.659 -3.990 1.00 0.00 N ATOM 583 CA ARG A 40 -5.510 -9.835 -4.328 1.00 0.00 C ATOM 584 C ARG A 40 -4.652 -11.097 -4.211 1.00 0.00 C ATOM 585 O ARG A 40 -3.769 -11.175 -3.358 1.00 0.00 O ATOM 586 CB ARG A 40 -6.067 -9.736 -5.749 1.00 0.00 C ATOM 587 CG ARG A 40 -7.450 -10.384 -5.842 1.00 0.00 C ATOM 588 CD ARG A 40 -8.541 -9.420 -5.374 1.00 0.00 C ATOM 589 NE ARG A 40 -9.832 -10.134 -5.255 1.00 0.00 N ATOM 590 CZ ARG A 40 -10.658 -10.368 -6.283 1.00 0.00 C ATOM 591 NH1 ARG A 40 -10.334 -9.946 -7.513 1.00 0.00 N ATOM 592 NH2 ARG A 40 -11.809 -11.025 -6.082 1.00 0.00 N ATOM 0 H ARG A 40 -3.761 -8.679 -4.324 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.343 -9.891 -3.627 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.131 -8.689 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.385 -10.224 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.645 -10.687 -6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.473 -11.288 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.266 -8.986 -4.413 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.636 -8.595 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.110 -10.469 -4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.458 -9.446 -7.667 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.963 -10.124 -8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.056 -11.347 -5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.438 -11.203 -6.865 1.00 0.00 H new ATOM 606 N ARG A 41 -4.942 -12.053 -5.081 1.00 0.00 N ATOM 607 CA ARG A 41 -4.208 -13.307 -5.086 1.00 0.00 C ATOM 608 C ARG A 41 -2.752 -13.069 -5.491 1.00 0.00 C ATOM 609 O ARG A 41 -2.315 -13.526 -6.547 1.00 0.00 O ATOM 610 CB ARG A 41 -4.841 -14.312 -6.051 1.00 0.00 C ATOM 611 CG ARG A 41 -5.718 -15.316 -5.300 1.00 0.00 C ATOM 612 CD ARG A 41 -7.196 -15.119 -5.645 1.00 0.00 C ATOM 613 NE ARG A 41 -7.597 -16.065 -6.710 1.00 0.00 N ATOM 614 CZ ARG A 41 -8.651 -15.884 -7.517 1.00 0.00 C ATOM 615 NH1 ARG A 41 -9.416 -14.792 -7.386 1.00 0.00 N ATOM 616 NH2 ARG A 41 -8.940 -16.796 -8.456 1.00 0.00 N ATOM 0 H ARG A 41 -5.675 -11.985 -5.787 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.245 -13.717 -4.077 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.441 -13.782 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.059 -14.842 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.414 -16.331 -5.554 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.573 -15.199 -4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.809 -15.276 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.368 -14.094 -5.974 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.036 -16.907 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.196 -14.098 -6.672 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.218 -14.655 -8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.358 -17.627 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.742 -16.659 -9.071 1.00 0.00 H new ATOM 630 N GLY A 42 -2.041 -12.355 -4.632 1.00 0.00 N ATOM 631 CA GLY A 42 -0.643 -12.050 -4.887 1.00 0.00 C ATOM 632 C GLY A 42 -0.504 -10.995 -5.986 1.00 0.00 C ATOM 633 O GLY A 42 0.254 -11.180 -6.937 1.00 0.00 O ATOM 0 H GLY A 42 -2.407 -11.978 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.173 -11.691 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.117 -12.958 -5.181 1.00 0.00 H new ATOM 637 N SER A 43 -1.248 -9.912 -5.820 1.00 0.00 N ATOM 638 CA SER A 43 -1.217 -8.827 -6.786 1.00 0.00 C ATOM 639 C SER A 43 -1.751 -7.543 -6.149 1.00 0.00 C ATOM 640 O SER A 43 -2.882 -7.508 -5.667 1.00 0.00 O ATOM 641 CB SER A 43 -2.030 -9.177 -8.034 1.00 0.00 C ATOM 642 OG SER A 43 -1.870 -10.543 -8.409 1.00 0.00 O ATOM 0 H SER A 43 -1.876 -9.762 -5.031 1.00 0.00 H new ATOM 0 HA SER A 43 -0.182 -8.671 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.085 -8.973 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.721 -8.536 -8.860 1.00 0.00 H new ATOM 0 HG SER A 43 -0.947 -10.824 -8.235 1.00 0.00 H new ATOM 648 N LEU A 44 -0.911 -6.518 -6.166 1.00 0.00 N ATOM 649 CA LEU A 44 -1.284 -5.235 -5.595 1.00 0.00 C ATOM 650 C LEU A 44 -1.576 -4.245 -6.724 1.00 0.00 C ATOM 651 O LEU A 44 -0.656 -3.758 -7.380 1.00 0.00 O ATOM 652 CB LEU A 44 -0.213 -4.752 -4.615 1.00 0.00 C ATOM 653 CG LEU A 44 -0.391 -3.333 -4.072 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.545 -3.271 -3.069 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.916 -2.806 -3.475 1.00 0.00 C ATOM 0 H LEU A 44 0.027 -6.550 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.198 -5.330 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.184 -5.441 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.757 -4.811 -5.109 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.652 -2.679 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.650 -2.251 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.470 -3.576 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.338 -3.941 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.762 -1.796 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.231 -3.455 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.688 -2.791 -4.245 1.00 0.00 H new ATOM 667 N GLY A 45 -2.859 -3.977 -6.917 1.00 0.00 N ATOM 668 CA GLY A 45 -3.283 -3.053 -7.955 1.00 0.00 C ATOM 669 C GLY A 45 -3.584 -1.672 -7.371 1.00 0.00 C ATOM 670 O GLY A 45 -3.984 -1.557 -6.214 1.00 0.00 O ATOM 0 H GLY A 45 -3.619 -4.384 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.504 -2.969 -8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.171 -3.443 -8.453 1.00 0.00 H new ATOM 674 N PHE A 46 -3.381 -0.657 -8.199 1.00 0.00 N ATOM 675 CA PHE A 46 -3.626 0.712 -7.779 1.00 0.00 C ATOM 676 C PHE A 46 -4.858 1.288 -8.480 1.00 0.00 C ATOM 677 O PHE A 46 -5.057 1.069 -9.674 1.00 0.00 O ATOM 678 CB PHE A 46 -2.397 1.529 -8.181 1.00 0.00 C ATOM 679 CG PHE A 46 -1.075 0.964 -7.657 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.773 1.054 -6.334 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.202 0.371 -8.515 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.453 0.529 -5.848 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.025 -0.154 -8.029 1.00 0.00 C ATOM 684 CZ PHE A 46 1.326 -0.064 -6.706 1.00 0.00 C ATOM 0 H PHE A 46 -3.050 -0.756 -9.159 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.804 0.746 -6.704 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.351 1.585 -9.269 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.515 2.549 -7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.466 1.525 -5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.442 0.299 -9.566 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.693 0.600 -4.797 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.719 -0.625 -8.710 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.259 -0.464 -6.336 1.00 0.00 H new ATOM 694 N TYR A 47 -5.654 2.013 -7.707 1.00 0.00 N ATOM 695 CA TYR A 47 -6.861 2.623 -8.239 1.00 0.00 C ATOM 696 C TYR A 47 -7.094 4.004 -7.624 1.00 0.00 C ATOM 697 O TYR A 47 -6.597 4.296 -6.538 1.00 0.00 O ATOM 698 CB TYR A 47 -8.012 1.698 -7.838 1.00 0.00 C ATOM 699 CG TYR A 47 -7.882 0.272 -8.378 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.908 -0.569 -7.880 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.740 -0.173 -9.364 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.786 -1.910 -8.388 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.618 -1.514 -9.872 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.647 -2.317 -9.360 1.00 0.00 C ATOM 705 OH TYR A 47 -7.532 -3.584 -9.840 1.00 0.00 O ATOM 0 H TYR A 47 -5.487 2.192 -6.717 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.783 2.750 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.071 1.660 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.949 2.126 -8.194 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.237 -0.221 -7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.502 0.485 -9.754 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.028 -2.578 -8.006 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.283 -1.875 -10.643 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.213 -3.736 -10.528 1.00 0.00 H new ATOM 715 N LYS A 48 -7.851 4.817 -8.346 1.00 0.00 N ATOM 716 CA LYS A 48 -8.156 6.161 -7.885 1.00 0.00 C ATOM 717 C LYS A 48 -8.630 6.102 -6.431 1.00 0.00 C ATOM 718 O LYS A 48 -8.000 6.676 -5.545 1.00 0.00 O ATOM 719 CB LYS A 48 -9.152 6.838 -8.829 1.00 0.00 C ATOM 720 CG LYS A 48 -9.573 8.208 -8.292 1.00 0.00 C ATOM 721 CD LYS A 48 -8.832 9.333 -9.018 1.00 0.00 C ATOM 722 CE LYS A 48 -9.406 10.700 -8.640 1.00 0.00 C ATOM 723 NZ LYS A 48 -8.329 11.714 -8.578 1.00 0.00 N ATOM 0 H LYS A 48 -8.262 4.571 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.261 6.782 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.703 6.953 -9.816 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.031 6.205 -8.950 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.648 8.337 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.367 8.263 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.772 9.297 -8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.908 9.188 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.156 11.001 -9.371 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.909 10.636 -7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.735 12.636 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.628 11.432 -7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.867 11.787 -9.507 1.00 0.00 H new ATOM 737 N ASP A 49 -9.737 5.402 -6.232 1.00 0.00 N ATOM 738 CA ASP A 49 -10.303 5.260 -4.901 1.00 0.00 C ATOM 739 C ASP A 49 -11.146 3.984 -4.843 1.00 0.00 C ATOM 740 O ASP A 49 -11.155 3.199 -5.789 1.00 0.00 O ATOM 741 CB ASP A 49 -11.211 6.443 -4.559 1.00 0.00 C ATOM 742 CG ASP A 49 -10.805 7.774 -5.194 1.00 0.00 C ATOM 743 OD1 ASP A 49 -9.813 8.356 -4.706 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.497 8.180 -6.153 1.00 0.00 O ATOM 0 H ASP A 49 -10.257 4.927 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.480 5.219 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.227 6.204 -4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.231 6.565 -3.476 1.00 0.00 H new ATOM 749 N ALA A 50 -11.833 3.818 -3.722 1.00 0.00 N ATOM 750 CA ALA A 50 -12.677 2.651 -3.528 1.00 0.00 C ATOM 751 C ALA A 50 -13.854 2.710 -4.504 1.00 0.00 C ATOM 752 O ALA A 50 -14.591 1.737 -4.653 1.00 0.00 O ATOM 753 CB ALA A 50 -13.131 2.586 -2.069 1.00 0.00 C ATOM 0 H ALA A 50 -11.822 4.472 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.122 1.737 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.764 1.711 -1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.259 2.515 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.694 3.486 -1.823 1.00 0.00 H new ATOM 759 N LYS A 51 -13.994 3.863 -5.143 1.00 0.00 N ATOM 760 CA LYS A 51 -15.069 4.062 -6.100 1.00 0.00 C ATOM 761 C LYS A 51 -14.655 3.481 -7.453 1.00 0.00 C ATOM 762 O LYS A 51 -15.507 3.145 -8.275 1.00 0.00 O ATOM 763 CB LYS A 51 -15.466 5.538 -6.160 1.00 0.00 C ATOM 764 CG LYS A 51 -16.526 5.865 -5.106 1.00 0.00 C ATOM 765 CD LYS A 51 -17.915 5.421 -5.570 1.00 0.00 C ATOM 766 CE LYS A 51 -19.010 6.079 -4.728 1.00 0.00 C ATOM 767 NZ LYS A 51 -20.349 5.659 -5.199 1.00 0.00 N ATOM 0 H LYS A 51 -13.381 4.668 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.965 3.527 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.586 6.161 -6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.850 5.775 -7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.276 5.369 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.530 6.937 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.052 5.681 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.997 4.337 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -18.885 5.806 -3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.921 7.164 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.080 6.115 -4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.472 5.941 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.437 4.626 -5.119 1.00 0.00 H new ATOM 781 N ALA A 52 -13.348 3.380 -7.644 1.00 0.00 N ATOM 782 CA ALA A 52 -12.811 2.845 -8.883 1.00 0.00 C ATOM 783 C ALA A 52 -12.487 1.362 -8.696 1.00 0.00 C ATOM 784 O ALA A 52 -12.572 0.580 -9.642 1.00 0.00 O ATOM 785 CB ALA A 52 -11.586 3.661 -9.303 1.00 0.00 C ATOM 0 H ALA A 52 -12.645 3.660 -6.961 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.546 2.923 -9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.183 3.260 -10.233 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.875 4.701 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.826 3.604 -8.524 1.00 0.00 H new ATOM 791 N ALA A 53 -12.123 1.018 -7.469 1.00 0.00 N ATOM 792 CA ALA A 53 -11.787 -0.357 -7.146 1.00 0.00 C ATOM 793 C ALA A 53 -12.992 -1.254 -7.434 1.00 0.00 C ATOM 794 O ALA A 53 -12.840 -2.352 -7.968 1.00 0.00 O ATOM 795 CB ALA A 53 -11.332 -0.443 -5.687 1.00 0.00 C ATOM 0 H ALA A 53 -12.054 1.669 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.961 -0.705 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.080 -1.475 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.455 0.188 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.136 -0.103 -5.034 1.00 0.00 H new ATOM 801 N SER A 54 -14.163 -0.753 -7.069 1.00 0.00 N ATOM 802 CA SER A 54 -15.394 -1.496 -7.281 1.00 0.00 C ATOM 803 C SER A 54 -15.833 -1.373 -8.742 1.00 0.00 C ATOM 804 O SER A 54 -16.537 -2.240 -9.257 1.00 0.00 O ATOM 805 CB SER A 54 -16.503 -1.001 -6.351 1.00 0.00 C ATOM 806 OG SER A 54 -17.539 -1.967 -6.195 1.00 0.00 O ATOM 0 H SER A 54 -14.286 0.158 -6.628 1.00 0.00 H new ATOM 0 HA SER A 54 -15.205 -2.545 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.079 -0.763 -5.375 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.925 -0.078 -6.749 1.00 0.00 H new ATOM 0 HG SER A 54 -18.227 -1.614 -5.593 1.00 0.00 H new ATOM 812 N ALA A 55 -15.398 -0.290 -9.369 1.00 0.00 N ATOM 813 CA ALA A 55 -15.737 -0.043 -10.760 1.00 0.00 C ATOM 814 C ALA A 55 -14.655 -0.645 -11.659 1.00 0.00 C ATOM 815 O ALA A 55 -14.616 -0.373 -12.858 1.00 0.00 O ATOM 816 CB ALA A 55 -15.911 1.460 -10.984 1.00 0.00 C ATOM 0 H ALA A 55 -14.813 0.427 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.682 -0.522 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.165 1.645 -12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.710 1.833 -10.344 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.981 1.974 -10.740 1.00 0.00 H new ATOM 822 N GLY A 56 -13.802 -1.452 -11.045 1.00 0.00 N ATOM 823 CA GLY A 56 -12.722 -2.094 -11.774 1.00 0.00 C ATOM 824 C GLY A 56 -12.013 -1.098 -12.694 1.00 0.00 C ATOM 825 O GLY A 56 -11.458 -1.484 -13.722 1.00 0.00 O ATOM 0 H GLY A 56 -13.837 -1.676 -10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.006 -2.518 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.118 -2.921 -12.364 1.00 0.00 H new ATOM 829 N VAL A 57 -12.055 0.163 -12.292 1.00 0.00 N ATOM 830 CA VAL A 57 -11.424 1.218 -13.068 1.00 0.00 C ATOM 831 C VAL A 57 -10.069 1.562 -12.445 1.00 0.00 C ATOM 832 O VAL A 57 -9.997 1.940 -11.277 1.00 0.00 O ATOM 833 CB VAL A 57 -12.359 2.424 -13.169 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.753 3.515 -14.055 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.739 2.007 -13.680 1.00 0.00 C ATOM 0 H VAL A 57 -12.516 0.479 -11.439 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.237 0.883 -14.088 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.483 2.836 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.438 4.361 -14.110 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.804 3.843 -13.630 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.585 3.119 -15.056 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.384 2.883 -13.742 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.641 1.558 -14.668 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -14.177 1.282 -12.994 1.00 0.00 H new ATOM 845 N PRO A 58 -9.001 1.415 -13.274 1.00 0.00 N ATOM 846 CA PRO A 58 -7.653 1.706 -12.817 1.00 0.00 C ATOM 847 C PRO A 58 -7.419 3.215 -12.726 1.00 0.00 C ATOM 848 O PRO A 58 -7.979 3.982 -13.508 1.00 0.00 O ATOM 849 CB PRO A 58 -6.741 1.023 -13.823 1.00 0.00 C ATOM 850 CG PRO A 58 -7.594 0.770 -15.055 1.00 0.00 C ATOM 851 CD PRO A 58 -9.049 0.969 -14.664 1.00 0.00 C ATOM 0 HA PRO A 58 -7.461 1.336 -11.810 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.884 1.653 -14.064 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.347 0.089 -13.422 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.318 1.454 -15.858 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.434 -0.241 -15.429 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.533 1.709 -15.301 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.616 0.044 -14.764 1.00 0.00 H new ATOM 859 N TYR A 59 -6.590 3.596 -11.766 1.00 0.00 N ATOM 860 CA TYR A 59 -6.275 5.000 -11.562 1.00 0.00 C ATOM 861 C TYR A 59 -5.723 5.629 -12.843 1.00 0.00 C ATOM 862 O TYR A 59 -6.365 6.489 -13.444 1.00 0.00 O ATOM 863 CB TYR A 59 -5.192 5.037 -10.482 1.00 0.00 C ATOM 864 CG TYR A 59 -4.715 6.447 -10.127 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.636 7.448 -9.895 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.365 6.717 -10.037 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.188 8.775 -9.560 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.917 8.043 -9.702 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.850 9.007 -9.481 1.00 0.00 C ATOM 870 OH TYR A 59 -3.427 10.260 -9.164 1.00 0.00 O ATOM 0 H TYR A 59 -6.126 2.957 -11.120 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.168 5.556 -11.277 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.575 4.557 -9.582 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.338 4.449 -10.818 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.693 7.236 -9.965 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.644 5.933 -10.218 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.898 9.568 -9.376 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.863 8.267 -9.628 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.447 10.279 -9.143 1.00 0.00 H new ATOM 880 N HIS A 60 -4.537 5.175 -13.224 1.00 0.00 N ATOM 881 CA HIS A 60 -3.892 5.682 -14.422 1.00 0.00 C ATOM 882 C HIS A 60 -3.645 4.531 -15.399 1.00 0.00 C ATOM 883 O HIS A 60 -2.559 4.413 -15.965 1.00 0.00 O ATOM 884 CB HIS A 60 -2.613 6.444 -14.069 1.00 0.00 C ATOM 885 CG HIS A 60 -2.854 7.843 -13.554 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.833 8.338 -12.744 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -2.030 8.910 -13.869 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.619 9.637 -12.572 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.502 9.993 -13.269 1.00 0.00 N flip ATOM 0 H HIS A 60 -4.007 4.462 -12.723 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.548 6.398 -14.917 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.063 5.880 -13.316 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.978 6.498 -14.954 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.152 8.867 -14.497 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.229 10.302 -11.978 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.100 10.929 -13.320 1.00 0.00 H new ATOM 897 N GLY A 61 -4.672 3.710 -15.568 1.00 0.00 N ATOM 898 CA GLY A 61 -4.580 2.572 -16.467 1.00 0.00 C ATOM 899 C GLY A 61 -3.400 1.673 -16.095 1.00 0.00 C ATOM 900 O GLY A 61 -2.964 0.850 -16.898 1.00 0.00 O ATOM 0 H GLY A 61 -5.571 3.810 -15.098 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.506 1.998 -16.428 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.465 2.923 -17.493 1.00 0.00 H new ATOM 904 N GLU A 62 -2.915 1.861 -14.876 1.00 0.00 N ATOM 905 CA GLU A 62 -1.794 1.077 -14.387 1.00 0.00 C ATOM 906 C GLU A 62 -2.242 -0.350 -14.068 1.00 0.00 C ATOM 907 O GLU A 62 -3.419 -0.590 -13.803 1.00 0.00 O ATOM 908 CB GLU A 62 -1.154 1.738 -13.164 1.00 0.00 C ATOM 909 CG GLU A 62 0.009 2.643 -13.575 1.00 0.00 C ATOM 910 CD GLU A 62 1.122 2.616 -12.526 1.00 0.00 C ATOM 911 OE1 GLU A 62 0.784 2.793 -11.335 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.285 2.419 -12.938 1.00 0.00 O ATOM 0 H GLU A 62 -3.278 2.545 -14.213 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.038 1.032 -15.171 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.902 2.322 -12.629 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.797 0.971 -12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.404 2.319 -14.538 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.349 3.664 -13.705 1.00 0.00 H new ATOM 919 N VAL A 63 -1.281 -1.261 -14.103 1.00 0.00 N ATOM 920 CA VAL A 63 -1.562 -2.658 -13.820 1.00 0.00 C ATOM 921 C VAL A 63 -1.088 -2.993 -12.405 1.00 0.00 C ATOM 922 O VAL A 63 -0.380 -2.205 -11.781 1.00 0.00 O ATOM 923 CB VAL A 63 -0.925 -3.547 -14.890 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.958 -3.973 -15.936 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.265 -2.846 -15.548 1.00 0.00 C ATOM 0 H VAL A 63 -0.306 -1.059 -14.323 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.635 -2.846 -13.856 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.554 -4.447 -14.400 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.479 -4.604 -16.685 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.759 -4.531 -15.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.373 -3.088 -16.419 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.699 -3.500 -16.305 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.071 -1.921 -16.017 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.016 -2.617 -14.792 1.00 0.00 H new ATOM 935 N PRO A 64 -1.510 -4.194 -11.927 1.00 0.00 N ATOM 936 CA PRO A 64 -1.136 -4.643 -10.596 1.00 0.00 C ATOM 937 C PRO A 64 0.323 -5.103 -10.562 1.00 0.00 C ATOM 938 O PRO A 64 0.837 -5.623 -11.551 1.00 0.00 O ATOM 939 CB PRO A 64 -2.117 -5.757 -10.267 1.00 0.00 C ATOM 940 CG PRO A 64 -2.702 -6.204 -11.597 1.00 0.00 C ATOM 941 CD PRO A 64 -2.350 -5.154 -12.637 1.00 0.00 C ATOM 0 HA PRO A 64 -1.192 -3.848 -9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.615 -6.583 -9.764 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.899 -5.403 -9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.299 -7.175 -11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.783 -6.317 -11.520 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.820 -5.595 -13.481 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.245 -4.677 -13.037 1.00 0.00 H new ATOM 949 N VAL A 65 0.949 -4.894 -9.413 1.00 0.00 N ATOM 950 CA VAL A 65 2.339 -5.280 -9.237 1.00 0.00 C ATOM 951 C VAL A 65 2.401 -6.660 -8.580 1.00 0.00 C ATOM 952 O VAL A 65 1.871 -6.855 -7.487 1.00 0.00 O ATOM 953 CB VAL A 65 3.084 -4.205 -8.443 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.300 -2.949 -9.289 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.345 -3.872 -7.146 1.00 0.00 C ATOM 0 H VAL A 65 0.519 -4.462 -8.595 1.00 0.00 H new ATOM 0 HA VAL A 65 2.840 -5.357 -10.202 1.00 0.00 H new ATOM 0 HB VAL A 65 4.064 -4.602 -8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.832 -2.201 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.888 -3.201 -10.172 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.335 -2.548 -9.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.895 -3.105 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.346 -3.504 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.266 -4.769 -6.532 1.00 0.00 H new ATOM 965 N SER A 66 3.052 -7.582 -9.273 1.00 0.00 N ATOM 966 CA SER A 66 3.191 -8.938 -8.771 1.00 0.00 C ATOM 967 C SER A 66 3.814 -8.917 -7.374 1.00 0.00 C ATOM 968 O SER A 66 4.841 -8.276 -7.158 1.00 0.00 O ATOM 969 CB SER A 66 4.036 -9.793 -9.717 1.00 0.00 C ATOM 970 OG SER A 66 4.308 -11.081 -9.173 1.00 0.00 O ATOM 0 H SER A 66 3.490 -7.416 -10.179 1.00 0.00 H new ATOM 0 HA SER A 66 2.198 -9.384 -8.713 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.515 -9.904 -10.668 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.976 -9.282 -9.926 1.00 0.00 H new ATOM 0 HG SER A 66 4.848 -11.597 -9.808 1.00 0.00 H new ATOM 976 N LEU A 67 3.167 -9.627 -6.461 1.00 0.00 N ATOM 977 CA LEU A 67 3.645 -9.698 -5.091 1.00 0.00 C ATOM 978 C LEU A 67 4.403 -11.012 -4.887 1.00 0.00 C ATOM 979 O LEU A 67 4.137 -11.745 -3.935 1.00 0.00 O ATOM 980 CB LEU A 67 2.490 -9.496 -4.109 1.00 0.00 C ATOM 981 CG LEU A 67 1.890 -8.090 -4.060 1.00 0.00 C ATOM 982 CD1 LEU A 67 0.643 -8.056 -3.174 1.00 0.00 C ATOM 983 CD2 LEU A 67 2.935 -7.063 -3.617 1.00 0.00 C ATOM 0 H LEU A 67 2.316 -10.158 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 67 4.348 -8.889 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.697 -10.199 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.839 -9.756 -3.110 1.00 0.00 H new ATOM 0 HG LEU A 67 1.577 -7.818 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.236 -7.045 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.105 -8.741 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.908 -8.358 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.483 -6.072 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.301 -7.322 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.767 -7.063 -4.321 1.00 0.00 H new ATOM 995 N ALA A 68 5.331 -11.270 -5.797 1.00 0.00 N ATOM 996 CA ALA A 68 6.128 -12.483 -5.729 1.00 0.00 C ATOM 997 C ALA A 68 6.869 -12.527 -4.390 1.00 0.00 C ATOM 998 O ALA A 68 6.243 -12.593 -3.333 1.00 0.00 O ATOM 999 CB ALA A 68 7.082 -12.535 -6.924 1.00 0.00 C ATOM 0 H ALA A 68 5.549 -10.660 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 68 5.490 -13.365 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.680 -13.445 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.506 -12.530 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.740 -11.667 -6.902 1.00 0.00 H new ATOM 1005 N ARG A 69 8.190 -12.489 -4.480 1.00 0.00 N ATOM 1006 CA ARG A 69 9.022 -12.524 -3.289 1.00 0.00 C ATOM 1007 C ARG A 69 9.146 -11.122 -2.687 1.00 0.00 C ATOM 1008 O ARG A 69 10.010 -10.878 -1.847 1.00 0.00 O ATOM 1009 CB ARG A 69 10.419 -13.059 -3.609 1.00 0.00 C ATOM 1010 CG ARG A 69 10.337 -14.381 -4.376 1.00 0.00 C ATOM 1011 CD ARG A 69 10.659 -15.565 -3.462 1.00 0.00 C ATOM 1012 NE ARG A 69 11.287 -16.652 -4.246 1.00 0.00 N ATOM 1013 CZ ARG A 69 12.588 -16.694 -4.564 1.00 0.00 C ATOM 1014 NH1 ARG A 69 13.406 -15.710 -4.168 1.00 0.00 N ATOM 1015 NH2 ARG A 69 13.070 -17.720 -5.279 1.00 0.00 N ATOM 0 H ARG A 69 8.705 -12.434 -5.359 1.00 0.00 H new ATOM 0 HA ARG A 69 8.545 -13.191 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.967 -12.325 -4.200 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.977 -13.205 -2.684 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.338 -14.501 -4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.034 -14.363 -5.214 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.329 -15.247 -2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.747 -15.927 -2.987 1.00 0.00 H new ATOM 0 HE ARG A 69 10.692 -17.417 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.039 -14.929 -3.625 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.396 -15.742 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.447 -18.469 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.060 -17.752 -5.521 1.00 0.00 H new ATOM 1029 N ALA A 70 8.269 -10.239 -3.140 1.00 0.00 N ATOM 1030 CA ALA A 70 8.269 -8.869 -2.657 1.00 0.00 C ATOM 1031 C ALA A 70 8.484 -8.867 -1.142 1.00 0.00 C ATOM 1032 O ALA A 70 8.317 -9.894 -0.487 1.00 0.00 O ATOM 1033 CB ALA A 70 6.962 -8.184 -3.061 1.00 0.00 C ATOM 0 H ALA A 70 7.553 -10.446 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 70 9.085 -8.304 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.963 -7.156 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.871 -8.185 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.120 -8.722 -2.626 1.00 0.00 H new ATOM 1039 N GLN A 71 8.850 -7.701 -0.629 1.00 0.00 N ATOM 1040 CA GLN A 71 9.089 -7.552 0.796 1.00 0.00 C ATOM 1041 C GLN A 71 8.204 -6.445 1.370 1.00 0.00 C ATOM 1042 O GLN A 71 8.105 -5.362 0.794 1.00 0.00 O ATOM 1043 CB GLN A 71 10.567 -7.274 1.078 1.00 0.00 C ATOM 1044 CG GLN A 71 10.891 -5.790 0.893 1.00 0.00 C ATOM 1045 CD GLN A 71 12.375 -5.517 1.142 1.00 0.00 C ATOM 1046 OE1 GLN A 71 13.126 -6.374 1.579 1.00 0.00 O ATOM 1047 NE2 GLN A 71 12.756 -4.279 0.840 1.00 0.00 N ATOM 0 H GLN A 71 8.987 -6.851 -1.175 1.00 0.00 H new ATOM 0 HA GLN A 71 8.829 -8.489 1.288 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.810 -7.579 2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.187 -7.871 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.625 -5.479 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.288 -5.194 1.579 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.076 -3.610 0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.728 -3.998 0.970 1.00 0.00 H new ATOM 1056 N GLY A 72 7.581 -6.754 2.498 1.00 0.00 N ATOM 1057 CA GLY A 72 6.707 -5.798 3.156 1.00 0.00 C ATOM 1058 C GLY A 72 7.145 -5.559 4.603 1.00 0.00 C ATOM 1059 O GLY A 72 6.996 -6.436 5.453 1.00 0.00 O ATOM 0 H GLY A 72 7.664 -7.653 2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.716 -4.855 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.681 -6.166 3.139 1.00 0.00 H new ATOM 1063 N SER A 73 7.677 -4.369 4.838 1.00 0.00 N ATOM 1064 CA SER A 73 8.138 -4.004 6.167 1.00 0.00 C ATOM 1065 C SER A 73 7.710 -2.573 6.495 1.00 0.00 C ATOM 1066 O SER A 73 7.482 -1.767 5.593 1.00 0.00 O ATOM 1067 CB SER A 73 9.658 -4.143 6.280 1.00 0.00 C ATOM 1068 OG SER A 73 10.087 -5.488 6.085 1.00 0.00 O ATOM 0 H SER A 73 7.799 -3.645 4.130 1.00 0.00 H new ATOM 0 HA SER A 73 7.683 -4.686 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.137 -3.499 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.982 -3.798 7.262 1.00 0.00 H new ATOM 0 HG SER A 73 11.063 -5.535 6.163 1.00 0.00 H new ATOM 1074 N VAL A 74 7.614 -2.299 7.787 1.00 0.00 N ATOM 1075 CA VAL A 74 7.217 -0.978 8.245 1.00 0.00 C ATOM 1076 C VAL A 74 8.283 0.040 7.836 1.00 0.00 C ATOM 1077 O VAL A 74 9.442 -0.318 7.629 1.00 0.00 O ATOM 1078 CB VAL A 74 6.961 -1.003 9.754 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.494 0.366 10.252 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.953 -2.093 10.121 1.00 0.00 C ATOM 0 H VAL A 74 7.804 -2.969 8.532 1.00 0.00 H new ATOM 0 HA VAL A 74 6.281 -0.675 7.775 1.00 0.00 H new ATOM 0 HB VAL A 74 7.903 -1.237 10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.319 0.322 11.327 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.260 1.111 10.039 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.569 0.642 9.745 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.789 -2.089 11.199 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.009 -1.903 9.610 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.341 -3.065 9.817 1.00 0.00 H new ATOM 1090 N ALA A 75 7.854 1.289 7.733 1.00 0.00 N ATOM 1091 CA ALA A 75 8.757 2.362 7.352 1.00 0.00 C ATOM 1092 C ALA A 75 9.620 2.746 8.555 1.00 0.00 C ATOM 1093 O ALA A 75 10.847 2.773 8.461 1.00 0.00 O ATOM 1094 CB ALA A 75 7.948 3.544 6.814 1.00 0.00 C ATOM 0 H ALA A 75 6.893 1.582 7.907 1.00 0.00 H new ATOM 0 HA ALA A 75 9.426 2.036 6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.626 4.349 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.375 3.226 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.267 3.900 7.587 1.00 0.00 H new ATOM 1223 N LYS A 82 2.230 8.606 10.454 1.00 0.00 N ATOM 1224 CA LYS A 82 2.087 7.458 11.333 1.00 0.00 C ATOM 1225 C LYS A 82 1.486 6.291 10.546 1.00 0.00 C ATOM 1226 O LYS A 82 0.728 6.501 9.600 1.00 0.00 O ATOM 1227 CB LYS A 82 1.287 7.834 12.581 1.00 0.00 C ATOM 1228 CG LYS A 82 2.125 8.691 13.532 1.00 0.00 C ATOM 1229 CD LYS A 82 1.258 9.286 14.643 1.00 0.00 C ATOM 1230 CE LYS A 82 1.785 10.656 15.075 1.00 0.00 C ATOM 1231 NZ LYS A 82 0.695 11.470 15.660 1.00 0.00 N ATOM 0 HA LYS A 82 3.062 7.132 11.695 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.389 8.379 12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.960 6.930 13.094 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.918 8.085 13.970 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.608 9.493 12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.229 9.381 14.295 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.244 8.611 15.499 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.585 10.531 15.805 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.214 11.174 14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.070 12.396 15.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.056 11.605 14.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.304 10.981 16.491 1.00 0.00 H new ATOM 1245 N HIS A 83 1.847 5.088 10.966 1.00 0.00 N ATOM 1246 CA HIS A 83 1.352 3.888 10.313 1.00 0.00 C ATOM 1247 C HIS A 83 1.757 3.903 8.837 1.00 0.00 C ATOM 1248 O HIS A 83 0.907 4.034 7.958 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.158 3.743 10.511 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.732 4.677 11.550 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -0.642 4.434 12.909 1.00 0.00 N ATOM 1252 CD2 HIS A 83 -1.405 5.856 11.413 1.00 0.00 C ATOM 1253 CE1 HIS A 83 -1.237 5.428 13.552 1.00 0.00 C ATOM 1254 NE2 HIS A 83 -1.709 6.308 12.624 1.00 0.00 N ATOM 0 H HIS A 83 2.476 4.918 11.750 1.00 0.00 H new ATOM 0 HA HIS A 83 1.805 3.009 10.771 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.658 3.923 9.559 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.380 2.715 10.799 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.649 6.339 10.479 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.331 5.524 14.624 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.213 7.171 12.827 1.00 0.00 H new ATOM 1262 N VAL A 84 3.056 3.767 8.611 1.00 0.00 N ATOM 1263 CA VAL A 84 3.584 3.764 7.258 1.00 0.00 C ATOM 1264 C VAL A 84 4.537 2.578 7.090 1.00 0.00 C ATOM 1265 O VAL A 84 5.395 2.342 7.938 1.00 0.00 O ATOM 1266 CB VAL A 84 4.243 5.109 6.950 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.873 5.105 5.555 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.242 6.257 7.096 1.00 0.00 C ATOM 0 H VAL A 84 3.758 3.658 9.343 1.00 0.00 H new ATOM 0 HA VAL A 84 2.779 3.639 6.534 1.00 0.00 H new ATOM 0 HB VAL A 84 5.040 5.265 7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.335 6.073 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.631 4.324 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.102 4.915 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.737 7.202 6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.413 6.108 6.404 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.862 6.280 8.117 1.00 0.00 H new ATOM 1278 N PHE A 85 4.353 1.864 5.989 1.00 0.00 N ATOM 1279 CA PHE A 85 5.186 0.709 5.699 1.00 0.00 C ATOM 1280 C PHE A 85 5.748 0.782 4.278 1.00 0.00 C ATOM 1281 O PHE A 85 5.065 1.229 3.358 1.00 0.00 O ATOM 1282 CB PHE A 85 4.293 -0.527 5.818 1.00 0.00 C ATOM 1283 CG PHE A 85 3.064 -0.498 4.907 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.060 0.387 5.148 1.00 0.00 C ATOM 1285 CD2 PHE A 85 2.976 -1.357 3.857 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.919 0.415 4.303 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.835 -1.330 3.011 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.831 -0.444 3.252 1.00 0.00 C ATOM 0 H PHE A 85 3.640 2.063 5.287 1.00 0.00 H new ATOM 0 HA PHE A 85 6.026 0.672 6.392 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.884 -1.413 5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.963 -0.626 6.852 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.130 1.069 5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.773 -2.060 3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.122 1.118 4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.765 -2.012 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.036 -0.423 2.609 1.00 0.00 H new ATOM 1298 N LYS A 86 6.989 0.337 4.143 1.00 0.00 N ATOM 1299 CA LYS A 86 7.651 0.346 2.850 1.00 0.00 C ATOM 1300 C LYS A 86 7.488 -1.024 2.188 1.00 0.00 C ATOM 1301 O LYS A 86 7.600 -2.055 2.851 1.00 0.00 O ATOM 1302 CB LYS A 86 9.108 0.788 2.997 1.00 0.00 C ATOM 1303 CG LYS A 86 9.890 0.538 1.706 1.00 0.00 C ATOM 1304 CD LYS A 86 11.336 1.021 1.838 1.00 0.00 C ATOM 1305 CE LYS A 86 11.497 2.433 1.271 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.922 2.722 0.999 1.00 0.00 N ATOM 0 H LYS A 86 7.553 -0.032 4.908 1.00 0.00 H new ATOM 0 HA LYS A 86 7.185 1.077 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.147 1.847 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.575 0.246 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.878 -0.526 1.470 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.405 1.054 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.632 1.011 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.001 0.336 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.918 2.531 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.100 3.162 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.014 3.684 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.466 2.649 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.290 2.037 0.308 1.00 0.00 H new ATOM 1320 N LEU A 87 7.227 -0.992 0.890 1.00 0.00 N ATOM 1321 CA LEU A 87 7.048 -2.219 0.132 1.00 0.00 C ATOM 1322 C LEU A 87 8.058 -2.255 -1.017 1.00 0.00 C ATOM 1323 O LEU A 87 7.988 -1.440 -1.936 1.00 0.00 O ATOM 1324 CB LEU A 87 5.594 -2.361 -0.322 1.00 0.00 C ATOM 1325 CG LEU A 87 5.289 -3.552 -1.232 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.378 -4.869 -0.460 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.933 -3.382 -1.921 1.00 0.00 C ATOM 0 H LEU A 87 7.135 -0.136 0.343 1.00 0.00 H new ATOM 0 HA LEU A 87 7.248 -3.088 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.963 -2.435 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.306 -1.448 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 87 6.046 -3.586 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.157 -5.699 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.384 -4.987 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.657 -4.861 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.740 -4.242 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.149 -3.308 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.943 -2.475 -2.525 1.00 0.00 H new ATOM 1339 N GLY A 88 8.973 -3.209 -0.929 1.00 0.00 N ATOM 1340 CA GLY A 88 9.996 -3.362 -1.950 1.00 0.00 C ATOM 1341 C GLY A 88 9.795 -4.659 -2.736 1.00 0.00 C ATOM 1342 O GLY A 88 9.911 -5.750 -2.181 1.00 0.00 O ATOM 0 H GLY A 88 9.027 -3.884 -0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.966 -2.511 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.982 -3.363 -1.485 1.00 0.00 H new ATOM 1346 N LEU A 89 9.498 -4.497 -4.017 1.00 0.00 N ATOM 1347 CA LEU A 89 9.280 -5.641 -4.886 1.00 0.00 C ATOM 1348 C LEU A 89 10.623 -6.306 -5.192 1.00 0.00 C ATOM 1349 O LEU A 89 11.657 -5.897 -4.666 1.00 0.00 O ATOM 1350 CB LEU A 89 8.501 -5.225 -6.135 1.00 0.00 C ATOM 1351 CG LEU A 89 7.236 -4.399 -5.893 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.302 -4.458 -7.103 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.534 -4.836 -4.605 1.00 0.00 C ATOM 0 H LEU A 89 9.403 -3.590 -4.474 1.00 0.00 H new ATOM 0 HA LEU A 89 8.661 -6.386 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.167 -4.652 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.224 -6.126 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 89 7.528 -3.357 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.411 -3.863 -6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.816 -4.061 -7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.013 -5.492 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.638 -4.233 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.256 -5.887 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.208 -4.699 -3.759 1.00 0.00 H new ATOM 1365 N GLN A 90 10.565 -7.321 -6.042 1.00 0.00 N ATOM 1366 CA GLN A 90 11.764 -8.047 -6.424 1.00 0.00 C ATOM 1367 C GLN A 90 12.404 -7.403 -7.655 1.00 0.00 C ATOM 1368 O GLN A 90 13.512 -7.768 -8.046 1.00 0.00 O ATOM 1369 CB GLN A 90 11.454 -9.524 -6.677 1.00 0.00 C ATOM 1370 CG GLN A 90 10.551 -9.693 -7.901 1.00 0.00 C ATOM 1371 CD GLN A 90 10.847 -11.009 -8.622 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.975 -11.316 -8.970 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.773 -11.767 -8.827 1.00 0.00 N ATOM 0 H GLN A 90 9.706 -7.658 -6.477 1.00 0.00 H new ATOM 0 HA GLN A 90 12.475 -7.995 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.383 -10.074 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.968 -9.953 -5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.506 -9.670 -7.592 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.700 -8.858 -8.585 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.857 -11.450 -8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.866 -12.665 -9.301 1.00 0.00 H new ATOM 1382 N ASP A 91 11.679 -6.456 -8.233 1.00 0.00 N ATOM 1383 CA ASP A 91 12.163 -5.758 -9.412 1.00 0.00 C ATOM 1384 C ASP A 91 12.801 -4.433 -8.989 1.00 0.00 C ATOM 1385 O ASP A 91 13.016 -3.551 -9.818 1.00 0.00 O ATOM 1386 CB ASP A 91 11.016 -5.444 -10.375 1.00 0.00 C ATOM 1387 CG ASP A 91 11.345 -5.636 -11.857 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.541 -5.852 -12.149 1.00 0.00 O ATOM 1389 OD2 ASP A 91 10.394 -5.563 -12.663 1.00 0.00 O ATOM 0 H ASP A 91 10.760 -6.156 -7.907 1.00 0.00 H new ATOM 0 HA ASP A 91 12.888 -6.401 -9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.166 -6.077 -10.122 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.703 -4.412 -10.219 1.00 0.00 H new ATOM 1394 N GLY A 92 13.086 -4.336 -7.698 1.00 0.00 N ATOM 1395 CA GLY A 92 13.696 -3.134 -7.155 1.00 0.00 C ATOM 1396 C GLY A 92 12.691 -1.982 -7.112 1.00 0.00 C ATOM 1397 O GLY A 92 13.069 -0.818 -7.239 1.00 0.00 O ATOM 0 H GLY A 92 12.906 -5.070 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.070 -3.333 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.554 -2.850 -7.764 1.00 0.00 H new ATOM 1401 N LYS A 93 11.430 -2.345 -6.931 1.00 0.00 N ATOM 1402 CA LYS A 93 10.367 -1.356 -6.868 1.00 0.00 C ATOM 1403 C LYS A 93 9.963 -1.138 -5.409 1.00 0.00 C ATOM 1404 O LYS A 93 9.378 -2.022 -4.785 1.00 0.00 O ATOM 1405 CB LYS A 93 9.203 -1.762 -7.775 1.00 0.00 C ATOM 1406 CG LYS A 93 8.971 -0.719 -8.870 1.00 0.00 C ATOM 1407 CD LYS A 93 7.681 -1.011 -9.640 1.00 0.00 C ATOM 1408 CE LYS A 93 7.962 -1.872 -10.873 1.00 0.00 C ATOM 1409 NZ LYS A 93 8.792 -3.042 -10.509 1.00 0.00 N ATOM 0 H LYS A 93 11.120 -3.311 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 93 10.717 -0.396 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.412 -2.731 -8.229 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.297 -1.878 -7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.916 0.275 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.816 -0.714 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.972 -1.522 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.215 -0.074 -9.945 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.022 -2.208 -11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.473 -1.278 -11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.875 -3.677 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.739 -2.720 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.346 -3.552 -9.720 1.00 0.00 H new ATOM 1423 N GLU A 94 10.292 0.043 -4.907 1.00 0.00 N ATOM 1424 CA GLU A 94 9.971 0.388 -3.533 1.00 0.00 C ATOM 1425 C GLU A 94 8.811 1.385 -3.493 1.00 0.00 C ATOM 1426 O GLU A 94 8.830 2.394 -4.195 1.00 0.00 O ATOM 1427 CB GLU A 94 11.197 0.945 -2.807 1.00 0.00 C ATOM 1428 CG GLU A 94 12.077 -0.185 -2.269 1.00 0.00 C ATOM 1429 CD GLU A 94 13.524 -0.025 -2.740 1.00 0.00 C ATOM 1430 OE1 GLU A 94 14.282 0.661 -2.020 1.00 0.00 O ATOM 1431 OE2 GLU A 94 13.840 -0.591 -3.808 1.00 0.00 O ATOM 0 H GLU A 94 10.778 0.773 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 94 9.663 -0.519 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.776 1.568 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.877 1.585 -1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.044 -0.189 -1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.686 -1.146 -2.604 1.00 0.00 H new ATOM 1438 N TYR A 95 7.827 1.066 -2.664 1.00 0.00 N ATOM 1439 CA TYR A 95 6.660 1.920 -2.523 1.00 0.00 C ATOM 1440 C TYR A 95 6.414 2.274 -1.055 1.00 0.00 C ATOM 1441 O TYR A 95 6.727 1.488 -0.162 1.00 0.00 O ATOM 1442 CB TYR A 95 5.475 1.105 -3.045 1.00 0.00 C ATOM 1443 CG TYR A 95 5.481 0.900 -4.561 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.048 1.910 -5.396 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.919 -0.296 -5.094 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.053 1.716 -6.823 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.924 -0.489 -6.521 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.491 0.526 -7.315 1.00 0.00 C ATOM 1449 OH TYR A 95 5.495 0.344 -8.662 1.00 0.00 O ATOM 0 H TYR A 95 7.814 0.228 -2.083 1.00 0.00 H new ATOM 0 HA TYR A 95 6.799 2.853 -3.070 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.474 0.130 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.549 1.605 -2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.705 2.846 -4.979 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.258 -1.087 -4.441 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.716 2.498 -7.488 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.264 -1.419 -6.951 1.00 0.00 H new ATOM 0 HH TYR A 95 5.633 1.206 -9.108 1.00 0.00 H new ATOM 1459 N LEU A 96 5.856 3.458 -0.851 1.00 0.00 N ATOM 1460 CA LEU A 96 5.564 3.926 0.494 1.00 0.00 C ATOM 1461 C LEU A 96 4.053 4.112 0.647 1.00 0.00 C ATOM 1462 O LEU A 96 3.454 4.945 -0.033 1.00 0.00 O ATOM 1463 CB LEU A 96 6.374 5.184 0.811 1.00 0.00 C ATOM 1464 CG LEU A 96 7.796 4.954 1.326 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.506 6.283 1.589 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.792 4.052 2.562 1.00 0.00 C ATOM 0 H LEU A 96 5.598 4.107 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 96 5.871 3.184 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.430 5.793 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.829 5.765 1.555 1.00 0.00 H new ATOM 0 HG LEU A 96 8.360 4.436 0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.515 6.091 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.558 6.857 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.951 6.850 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.815 3.904 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.206 4.521 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.352 3.088 2.307 1.00 0.00 H new ATOM 1478 N PHE A 97 3.479 3.324 1.544 1.00 0.00 N ATOM 1479 CA PHE A 97 2.050 3.392 1.796 1.00 0.00 C ATOM 1480 C PHE A 97 1.766 3.800 3.243 1.00 0.00 C ATOM 1481 O PHE A 97 2.458 3.364 4.162 1.00 0.00 O ATOM 1482 CB PHE A 97 1.486 1.990 1.554 1.00 0.00 C ATOM 1483 CG PHE A 97 1.676 1.481 0.124 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.816 1.869 -0.856 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.705 0.641 -0.168 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.992 1.397 -2.184 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.881 0.169 -1.496 1.00 0.00 C ATOM 1488 CZ PHE A 97 2.021 0.557 -2.475 1.00 0.00 C ATOM 0 H PHE A 97 3.978 2.634 2.106 1.00 0.00 H new ATOM 0 HA PHE A 97 1.592 4.134 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.964 1.293 2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.422 1.992 1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.001 2.536 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.388 0.333 0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.309 1.705 -2.962 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.698 -0.498 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.155 0.198 -3.485 1.00 0.00 H new ATOM 1498 N GLN A 98 0.748 4.632 3.400 1.00 0.00 N ATOM 1499 CA GLN A 98 0.364 5.104 4.720 1.00 0.00 C ATOM 1500 C GLN A 98 -1.061 4.656 5.051 1.00 0.00 C ATOM 1501 O GLN A 98 -2.011 5.047 4.374 1.00 0.00 O ATOM 1502 CB GLN A 98 0.497 6.625 4.818 1.00 0.00 C ATOM 1503 CG GLN A 98 0.123 7.119 6.217 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.345 8.575 6.178 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.713 9.108 5.144 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.309 9.187 7.359 1.00 0.00 N ATOM 0 H GLN A 98 0.177 4.992 2.635 1.00 0.00 H new ATOM 0 HA GLN A 98 1.041 4.665 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.520 6.920 4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.147 7.098 4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.666 6.491 6.629 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.983 7.027 6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.010 8.682 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.601 10.161 7.438 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.164 3.842 6.091 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.457 3.336 6.519 1.00 0.00 C ATOM 1517 C ALA A 99 -3.145 4.385 7.395 1.00 0.00 C ATOM 1518 O ALA A 99 -2.529 5.376 7.784 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.269 2.003 7.246 1.00 0.00 C ATOM 0 H ALA A 99 -0.374 3.520 6.650 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.100 3.150 5.659 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.239 1.624 7.567 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.803 1.284 6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.631 2.151 8.117 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.414 4.131 7.681 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.193 5.041 8.504 1.00 0.00 C ATOM 1527 C LYS A 100 -4.660 5.007 9.938 1.00 0.00 C ATOM 1528 O LYS A 100 -4.561 6.045 10.591 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.684 4.719 8.395 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.126 3.777 9.517 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.551 3.273 9.281 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.888 2.118 10.227 1.00 0.00 C ATOM 1533 NZ LYS A 100 -9.855 1.195 9.593 1.00 0.00 N ATOM 0 H LYS A 100 -4.922 3.308 7.357 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.085 6.065 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.263 5.641 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.891 4.260 7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.442 2.930 9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.074 4.296 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.258 4.089 9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.658 2.944 8.247 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.978 1.578 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.305 2.510 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.073 0.417 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.729 1.711 9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.444 0.807 8.720 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.330 3.804 10.385 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.810 3.622 11.729 1.00 0.00 C ATOM 1549 C ASP A 101 -2.833 2.445 11.738 1.00 0.00 C ATOM 1550 O ASP A 101 -2.433 1.958 10.682 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.935 3.310 12.718 1.00 0.00 C ATOM 1552 CG ASP A 101 -6.121 4.275 12.674 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.858 5.495 12.605 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -7.265 3.772 12.709 1.00 0.00 O ATOM 0 H ASP A 101 -4.413 2.946 9.840 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.315 4.546 12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.299 2.301 12.524 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.522 3.311 13.727 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.476 2.023 12.942 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.553 0.913 13.102 1.00 0.00 C ATOM 1561 C GLU A 102 -2.199 -0.388 12.622 1.00 0.00 C ATOM 1562 O GLU A 102 -1.557 -1.193 11.948 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.089 0.790 14.555 1.00 0.00 C ATOM 1564 CG GLU A 102 -1.886 -0.284 15.297 1.00 0.00 C ATOM 1565 CD GLU A 102 -1.371 -0.460 16.727 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -0.150 -0.686 16.866 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -2.211 -0.365 17.648 1.00 0.00 O ATOM 0 H GLU A 102 -2.809 2.430 13.816 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.673 1.107 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -0.028 0.543 14.582 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.206 1.749 15.060 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.941 -0.010 15.318 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.813 -1.231 14.762 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.461 -0.555 12.987 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.202 -1.744 12.602 1.00 0.00 C ATOM 1576 C ALA A 103 -4.178 -1.883 11.078 1.00 0.00 C ATOM 1577 O ALA A 103 -3.552 -2.797 10.544 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.625 -1.663 13.158 1.00 0.00 C ATOM 0 H ALA A 103 -3.990 0.114 13.546 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.739 -2.637 13.022 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.180 -2.555 12.869 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.588 -1.596 14.245 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.123 -0.780 12.757 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.869 -0.962 10.421 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.935 -0.970 8.970 1.00 0.00 C ATOM 1586 C GLU A 104 -3.576 -1.351 8.379 1.00 0.00 C ATOM 1587 O GLU A 104 -3.504 -2.141 7.439 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.406 0.384 8.435 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.679 0.314 6.931 1.00 0.00 C ATOM 1590 CD GLU A 104 -7.109 -0.155 6.655 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.599 -0.984 7.453 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.680 0.326 5.652 1.00 0.00 O ATOM 0 H GLU A 104 -5.388 -0.206 10.867 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.665 -1.719 8.663 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.311 0.691 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.649 1.142 8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.521 1.295 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.971 -0.369 6.461 1.00 0.00 H new ATOM 1599 N MET A 105 -2.533 -0.771 8.953 1.00 0.00 N ATOM 1600 CA MET A 105 -1.181 -1.039 8.495 1.00 0.00 C ATOM 1601 C MET A 105 -0.788 -2.493 8.766 1.00 0.00 C ATOM 1602 O MET A 105 -0.626 -3.280 7.835 1.00 0.00 O ATOM 1603 CB MET A 105 -0.204 -0.104 9.211 1.00 0.00 C ATOM 1604 CG MET A 105 1.152 -0.081 8.502 1.00 0.00 C ATOM 1605 SD MET A 105 2.346 0.797 9.497 1.00 0.00 S ATOM 1606 CE MET A 105 3.129 -0.576 10.326 1.00 0.00 C ATOM 0 H MET A 105 -2.597 -0.116 9.732 1.00 0.00 H new ATOM 0 HA MET A 105 -1.141 -0.866 7.420 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.618 0.904 9.245 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.073 -0.430 10.243 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.495 -1.100 8.322 1.00 0.00 H new ATOM 0 HG3 MET A 105 1.054 0.399 7.528 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.007 -0.222 10.867 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.427 -1.025 11.028 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.433 -1.320 9.590 1.00 0.00 H new ATOM 1616 N SER A 106 -0.647 -2.805 10.046 1.00 0.00 N ATOM 1617 CA SER A 106 -0.276 -4.150 10.452 1.00 0.00 C ATOM 1618 C SER A 106 -1.009 -5.178 9.587 1.00 0.00 C ATOM 1619 O SER A 106 -0.428 -6.185 9.186 1.00 0.00 O ATOM 1620 CB SER A 106 -0.586 -4.384 11.932 1.00 0.00 C ATOM 1621 OG SER A 106 0.550 -4.144 12.759 1.00 0.00 O ATOM 0 H SER A 106 -0.783 -2.149 10.816 1.00 0.00 H new ATOM 0 HA SER A 106 0.799 -4.266 10.311 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.403 -3.731 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.927 -5.409 12.073 1.00 0.00 H new ATOM 0 HG SER A 106 0.312 -4.302 13.696 1.00 0.00 H new ATOM 1627 N SER A 107 -2.275 -4.888 9.325 1.00 0.00 N ATOM 1628 CA SER A 107 -3.094 -5.775 8.516 1.00 0.00 C ATOM 1629 C SER A 107 -2.490 -5.913 7.117 1.00 0.00 C ATOM 1630 O SER A 107 -2.201 -7.022 6.669 1.00 0.00 O ATOM 1631 CB SER A 107 -4.533 -5.264 8.424 1.00 0.00 C ATOM 1632 OG SER A 107 -5.458 -6.161 9.033 1.00 0.00 O ATOM 0 H SER A 107 -2.754 -4.051 9.659 1.00 0.00 H new ATOM 0 HA SER A 107 -3.114 -6.754 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.603 -4.289 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.801 -5.122 7.377 1.00 0.00 H new ATOM 0 HG SER A 107 -6.365 -5.798 8.955 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.316 -4.772 6.466 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.751 -4.753 5.128 1.00 0.00 C ATOM 1640 C TRP A 108 -0.582 -5.739 5.094 1.00 0.00 C ATOM 1641 O TRP A 108 -0.647 -6.761 4.412 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.348 -3.333 4.724 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.465 -2.539 4.043 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.144 -1.490 4.526 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -3.008 -2.775 2.727 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.081 -1.034 3.621 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.996 -1.840 2.493 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.676 -3.746 1.766 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.732 -1.784 1.303 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.421 -3.677 0.583 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.418 -2.742 0.331 1.00 0.00 C ATOM 0 H TRP A 108 -2.556 -3.854 6.841 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.491 -5.066 4.392 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.022 -2.792 5.612 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.492 -3.387 4.051 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.979 -1.056 5.501 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.719 -0.249 3.756 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.907 -4.487 1.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.500 -1.042 1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.206 -4.402 -0.188 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.948 -2.754 -0.610 1.00 0.00 H new ATOM 1662 N LEU A 109 0.460 -5.398 5.838 1.00 0.00 N ATOM 1663 CA LEU A 109 1.642 -6.241 5.901 1.00 0.00 C ATOM 1664 C LEU A 109 1.214 -7.708 5.976 1.00 0.00 C ATOM 1665 O LEU A 109 1.612 -8.518 5.141 1.00 0.00 O ATOM 1666 CB LEU A 109 2.549 -5.805 7.053 1.00 0.00 C ATOM 1667 CG LEU A 109 3.405 -4.562 6.800 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.695 -4.926 6.062 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.606 -3.488 6.060 1.00 0.00 C ATOM 0 H LEU A 109 0.510 -4.550 6.402 1.00 0.00 H new ATOM 0 HA LEU A 109 2.239 -6.129 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.927 -5.621 7.929 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.212 -6.634 7.301 1.00 0.00 H new ATOM 0 HG LEU A 109 3.692 -4.143 7.764 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.285 -4.025 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.271 -5.631 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.449 -5.382 5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.237 -2.615 5.893 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.269 -3.881 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.741 -3.201 6.658 1.00 0.00 H new ATOM 1681 N ARG A 110 0.408 -8.005 6.985 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.079 -9.360 7.180 1.00 0.00 C ATOM 1683 C ARG A 110 -0.680 -9.900 5.881 1.00 0.00 C ATOM 1684 O ARG A 110 -0.526 -11.079 5.565 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.137 -9.411 8.284 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.905 -10.734 8.246 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.875 -10.839 9.425 1.00 0.00 C ATOM 1688 NE ARG A 110 -3.183 -12.260 9.701 1.00 0.00 N ATOM 1689 CZ ARG A 110 -3.994 -13.014 8.946 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.583 -12.487 7.864 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -4.216 -14.294 9.273 1.00 0.00 N ATOM 0 H ARG A 110 0.080 -7.330 7.676 1.00 0.00 H new ATOM 0 HA ARG A 110 0.769 -9.978 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.659 -9.291 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.832 -8.579 8.166 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.456 -10.812 7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.203 -11.567 8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.438 -10.375 10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.793 -10.296 9.201 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.751 -12.693 10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.414 -11.512 7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.200 -13.061 7.289 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.768 -14.695 10.097 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.833 -14.868 8.698 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.352 -9.012 5.163 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.977 -9.385 3.905 1.00 0.00 C ATOM 1707 C VAL A 111 -0.907 -9.467 2.814 1.00 0.00 C ATOM 1708 O VAL A 111 -0.706 -10.523 2.215 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.101 -8.404 3.568 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.983 -8.947 2.442 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.934 -8.077 4.809 1.00 0.00 C ATOM 0 H VAL A 111 -1.477 -8.035 5.428 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.437 -10.370 3.984 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.644 -7.478 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.774 -8.230 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.378 -9.105 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.426 -9.893 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.726 -7.378 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.376 -8.993 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.294 -7.628 5.569 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.250 -8.340 2.588 1.00 0.00 N ATOM 1722 CA VAL A 112 0.794 -8.271 1.580 1.00 0.00 C ATOM 1723 C VAL A 112 1.704 -9.493 1.710 1.00 0.00 C ATOM 1724 O VAL A 112 2.063 -10.113 0.710 1.00 0.00 O ATOM 1725 CB VAL A 112 1.551 -6.946 1.700 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.674 -6.861 0.664 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.597 -5.756 1.574 1.00 0.00 C ATOM 0 H VAL A 112 -0.420 -7.466 3.086 1.00 0.00 H new ATOM 0 HA VAL A 112 0.361 -8.293 0.580 1.00 0.00 H new ATOM 0 HB VAL A 112 2.005 -6.908 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.196 -5.910 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.376 -7.680 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.251 -6.932 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.160 -4.827 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.101 -5.788 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.151 -5.804 2.365 1.00 0.00 H new ATOM 1737 N ASN A 113 2.051 -9.804 2.950 1.00 0.00 N ATOM 1738 CA ASN A 113 2.913 -10.942 3.224 1.00 0.00 C ATOM 1739 C ASN A 113 2.187 -12.231 2.834 1.00 0.00 C ATOM 1740 O ASN A 113 2.798 -13.154 2.297 1.00 0.00 O ATOM 1741 CB ASN A 113 3.259 -11.025 4.711 1.00 0.00 C ATOM 1742 CG ASN A 113 4.624 -10.393 4.993 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.668 -10.981 4.764 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.557 -9.166 5.502 1.00 0.00 N ATOM 0 H ASN A 113 1.751 -9.288 3.777 1.00 0.00 H new ATOM 0 HA ASN A 113 3.830 -10.818 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.492 -10.517 5.295 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.264 -12.068 5.029 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.413 -8.659 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.649 -8.732 5.669 1.00 0.00 H new ATOM 1751 N ALA A 114 0.893 -12.253 3.120 1.00 0.00 N ATOM 1752 CA ALA A 114 0.078 -13.414 2.806 1.00 0.00 C ATOM 1753 C ALA A 114 0.049 -13.617 1.290 1.00 0.00 C ATOM 1754 O ALA A 114 -0.254 -14.710 0.812 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.322 -13.229 3.396 1.00 0.00 C ATOM 0 H ALA A 114 0.390 -11.486 3.565 1.00 0.00 H new ATOM 0 HA ALA A 114 0.504 -14.313 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.934 -14.100 3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.249 -13.118 4.478 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.781 -12.337 2.970 1.00 0.00 H new ATOM 1761 N ALA A 115 0.370 -12.549 0.575 1.00 0.00 N ATOM 1762 CA ALA A 115 0.385 -12.596 -0.877 1.00 0.00 C ATOM 1763 C ALA A 115 1.775 -13.018 -1.355 1.00 0.00 C ATOM 1764 O ALA A 115 1.904 -13.733 -2.347 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.036 -11.236 -1.437 1.00 0.00 C ATOM 0 H ALA A 115 0.622 -11.645 0.975 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.328 -13.334 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.025 -11.272 -2.526 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.042 -10.996 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.658 -10.470 -1.092 1.00 0.00 H new ATOM 1771 N ILE A 116 2.782 -12.559 -0.626 1.00 0.00 N ATOM 1772 CA ILE A 116 4.158 -12.880 -0.962 1.00 0.00 C ATOM 1773 C ILE A 116 4.445 -14.335 -0.585 1.00 0.00 C ATOM 1774 O ILE A 116 5.101 -15.056 -1.334 1.00 0.00 O ATOM 1775 CB ILE A 116 5.116 -11.877 -0.317 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.891 -10.469 -0.871 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.569 -12.329 -0.471 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.246 -9.406 0.171 1.00 0.00 C ATOM 0 H ILE A 116 2.672 -11.967 0.197 1.00 0.00 H new ATOM 0 HA ILE A 116 4.318 -12.791 -2.037 1.00 0.00 H new ATOM 0 HB ILE A 116 4.903 -11.840 0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.498 -10.325 -1.764 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.850 -10.355 -1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.229 -11.598 -0.004 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.702 -13.298 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.813 -12.414 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.077 -8.414 -0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.620 -9.538 1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.294 -9.507 0.452 1.00 0.00 H new ATOM 1790 N ALA A 117 3.938 -14.722 0.576 1.00 0.00 N ATOM 1791 CA ALA A 117 4.131 -16.078 1.062 1.00 0.00 C ATOM 1792 C ALA A 117 3.389 -17.054 0.147 1.00 0.00 C ATOM 1793 O ALA A 117 3.973 -18.021 -0.339 1.00 0.00 O ATOM 1794 CB ALA A 117 3.663 -16.171 2.516 1.00 0.00 C ATOM 0 H ALA A 117 3.394 -14.121 1.194 1.00 0.00 H new ATOM 0 HA ALA A 117 5.187 -16.346 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.808 -17.188 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.241 -15.480 3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.606 -15.911 2.575 1.00 0.00 H new ATOM 1800 N SER A 118 2.112 -16.766 -0.061 1.00 0.00 N ATOM 1801 CA SER A 118 1.284 -17.606 -0.909 1.00 0.00 C ATOM 1802 C SER A 118 1.301 -17.078 -2.345 1.00 0.00 C ATOM 1803 O SER A 118 0.326 -16.488 -2.805 1.00 0.00 O ATOM 1804 CB SER A 118 -0.152 -17.671 -0.385 1.00 0.00 C ATOM 1805 OG SER A 118 -0.442 -18.927 0.224 1.00 0.00 O ATOM 0 H SER A 118 1.631 -15.963 0.343 1.00 0.00 H new ATOM 0 HA SER A 118 1.694 -18.616 -0.895 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.310 -16.872 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.846 -17.498 -1.207 1.00 0.00 H new ATOM 0 HG SER A 118 -1.367 -18.928 0.547 1.00 0.00 H new