USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -82:sc= 2.14 USER MOD Set 1.2: A 57 SER OG : rot -44:sc= 0.977 USER MOD Set 2.1: A 22 THR OG1 : rot -42:sc= -0.241 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.741 K(o=-0.98,f=-2.7!) USER MOD Set 3.1: A 7 THR OG1 : rot 141:sc= 0.534 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.055 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 148:sc= 1.28 (180deg=0.343) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.0341 (180deg=-0.0488) USER MOD Single : A 1 MET N :NH3+ 143:sc= 2.43 (180deg=1.42) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -172:sc= 0.903 (180deg=0.744) USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.626 USER MOD Single : A 20 SER OG : rot 180:sc= 0.009 USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.25) USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00393) USER MOD Single : A 31 GLN : amide:sc= -0.243 K(o=-0.24,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.49) USER MOD Single : A 41 GLN : amide:sc= -0.265 K(o=-0.27,f=-8.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00256 K(o=-0.0026,f=-0.65) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.589 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0445) USER MOD Single : A 65 SER OG : rot -130:sc= 0.022 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.151 K(o=-0.15,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.354 -8.028 -5.276 1.00 9.67 N ATOM 2 CA MET A 1 11.265 -8.382 -3.859 1.00 10.38 C ATOM 3 C MET A 1 9.780 -8.421 -3.408 1.00 9.62 C ATOM 4 O MET A 1 8.955 -7.734 -4.012 1.00 9.62 O ATOM 5 CB MET A 1 12.053 -7.567 -2.805 1.00 13.77 C ATOM 6 CG MET A 1 11.491 -6.180 -2.510 1.00 16.29 C ATOM 7 SD MET A 1 12.747 -5.214 -1.668 1.00 17.17 S ATOM 8 CE MET A 1 11.473 -3.944 -1.297 1.00 16.11 C ATOM 0 H1 MET A 1 12.185 -7.422 -5.431 1.00 9.67 H new ATOM 0 H2 MET A 1 11.446 -8.894 -5.845 1.00 9.67 H new ATOM 0 H3 MET A 1 10.494 -7.517 -5.561 1.00 9.67 H new ATOM 0 HA MET A 1 11.768 -9.349 -3.863 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.082 -8.136 -1.876 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.083 -7.460 -3.146 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.195 -5.688 -3.436 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.597 -6.259 -1.891 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.934 -3.110 -0.769 1.00 16.11 H new ATOM 0 HE2 MET A 1 11.034 -3.586 -2.228 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.693 -4.382 -0.674 1.00 16.11 H new ATOM 20 N GLN A 2 9.446 -9.168 -2.366 1.00 9.27 N ATOM 21 CA GLN A 2 8.183 -9.172 -1.666 1.00 9.07 C ATOM 22 C GLN A 2 8.053 -8.194 -0.592 1.00 8.72 C ATOM 23 O GLN A 2 8.979 -7.884 0.156 1.00 8.22 O ATOM 24 CB GLN A 2 7.832 -10.615 -1.227 1.00 14.46 C ATOM 25 CG GLN A 2 8.122 -11.779 -2.215 1.00 17.01 C ATOM 26 CD GLN A 2 7.264 -11.795 -3.489 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.142 -12.358 -3.319 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.701 -11.273 -4.633 1.00 19.49 N ATOM 0 H GLN A 2 10.104 -9.835 -1.963 1.00 9.27 H new ATOM 0 HA GLN A 2 7.436 -8.827 -2.381 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.372 -10.822 -0.303 1.00 14.46 H new ATOM 0 HB3 GLN A 2 6.769 -10.640 -0.987 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.172 -11.733 -2.505 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.978 -12.723 -1.689 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.622 -10.838 -4.676 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.114 -11.308 -5.467 1.00 19.49 H new ATOM 37 N ILE A 3 6.827 -7.759 -0.412 1.00 5.87 N ATOM 38 CA ILE A 3 6.366 -7.019 0.742 1.00 5.07 C ATOM 39 C ILE A 3 4.936 -7.436 1.067 1.00 4.01 C ATOM 40 O ILE A 3 4.177 -7.851 0.163 1.00 4.61 O ATOM 41 CB ILE A 3 6.375 -5.495 0.514 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.455 -4.976 -0.585 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.803 -5.045 0.320 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.159 -3.491 -0.546 1.00 10.83 C ATOM 0 H ILE A 3 6.089 -7.919 -1.098 1.00 5.87 H new ATOM 0 HA ILE A 3 7.050 -7.246 1.559 1.00 5.07 H new ATOM 0 HB ILE A 3 5.945 -5.047 1.410 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.902 -5.214 -1.550 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.511 -5.518 -0.529 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.826 -3.967 0.157 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.386 -5.290 1.208 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.230 -5.552 -0.546 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.496 -3.230 -1.371 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.677 -3.241 0.399 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.090 -2.932 -0.638 1.00 10.83 H new ATOM 56 N PHE A 4 4.624 -7.385 2.386 1.00 4.55 N ATOM 57 CA PHE A 4 3.349 -7.845 2.968 1.00 4.68 C ATOM 58 C PHE A 4 2.447 -6.604 3.119 1.00 5.30 C ATOM 59 O PHE A 4 2.945 -5.498 3.308 1.00 5.58 O ATOM 60 CB PHE A 4 3.363 -8.661 4.305 1.00 4.83 C ATOM 61 CG PHE A 4 4.137 -9.957 4.198 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.637 -10.964 3.386 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.346 -10.159 4.870 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.229 -12.204 3.386 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.035 -11.364 4.823 1.00 10.61 C ATOM 66 CZ PHE A 4 5.433 -12.370 4.061 1.00 8.90 C ATOM 0 H PHE A 4 5.268 -7.015 3.085 1.00 4.55 H new ATOM 0 HA PHE A 4 2.986 -8.596 2.266 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.799 -8.048 5.094 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.337 -8.880 4.601 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.782 -10.774 2.754 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.760 -9.346 5.448 1.00 8.34 H new ATOM 0 HE1 PHE A 4 3.768 -13.034 2.871 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.972 -11.514 5.340 1.00 10.61 H new ATOM 0 HZ PHE A 4 5.930 -13.327 3.993 1.00 8.90 H new ATOM 76 N VAL A 5 1.142 -6.782 2.983 1.00 4.44 N ATOM 77 CA VAL A 5 0.136 -5.805 3.142 1.00 3.87 C ATOM 78 C VAL A 5 -1.000 -6.413 3.937 1.00 4.93 C ATOM 79 O VAL A 5 -1.628 -7.405 3.612 1.00 6.84 O ATOM 80 CB VAL A 5 -0.427 -5.278 1.770 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.708 -4.467 1.991 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.537 -4.352 1.045 1.00 9.13 C ATOM 0 H VAL A 5 0.754 -7.693 2.739 1.00 4.44 H new ATOM 0 HA VAL A 5 0.580 -4.953 3.657 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.600 -6.172 1.170 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.083 -4.111 1.032 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.461 -5.098 2.463 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.492 -3.615 2.635 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.090 -4.024 0.107 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.747 -3.484 1.670 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.466 -4.884 0.838 1.00 9.13 H new ATOM 92 N LYS A 6 -1.285 -5.752 5.077 1.00 6.04 N ATOM 93 CA LYS A 6 -2.147 -6.293 6.121 1.00 6.12 C ATOM 94 C LYS A 6 -3.433 -5.456 6.368 1.00 6.57 C ATOM 95 O LYS A 6 -3.369 -4.249 6.541 1.00 5.76 O ATOM 96 CB LYS A 6 -1.332 -6.393 7.361 1.00 7.45 C ATOM 97 CG LYS A 6 -2.132 -7.320 8.365 1.00 11.12 C ATOM 98 CD LYS A 6 -1.329 -7.621 9.602 1.00 14.54 C ATOM 99 CE LYS A 6 -1.907 -8.751 10.493 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.936 -10.058 9.813 1.00 20.55 N ATOM 0 H LYS A 6 -0.917 -4.825 5.290 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.509 -7.270 5.800 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.351 -6.815 7.145 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.167 -5.407 7.795 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -3.065 -6.832 8.646 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.397 -8.253 7.867 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.317 -7.894 9.304 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.251 -6.712 10.198 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.310 -8.833 11.401 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.918 -8.484 10.800 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.795 -10.816 10.511 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.856 -10.185 9.344 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.177 -10.097 9.103 1.00 20.55 H new ATOM 114 N THR A 7 -4.677 -6.066 6.332 1.00 7.41 N ATOM 115 CA THR A 7 -5.969 -5.370 6.418 1.00 7.48 C ATOM 116 C THR A 7 -6.342 -5.045 7.827 1.00 8.75 C ATOM 117 O THR A 7 -5.715 -5.473 8.790 1.00 8.58 O ATOM 118 CB THR A 7 -7.137 -5.952 5.639 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.791 -6.980 6.350 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.607 -6.612 4.362 1.00 9.17 C ATOM 0 H THR A 7 -4.781 -7.076 6.240 1.00 7.41 H new ATOM 0 HA THR A 7 -5.767 -4.445 5.878 1.00 7.48 H new ATOM 0 HB THR A 7 -7.826 -5.130 5.445 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.759 -6.907 6.215 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.439 -7.032 3.797 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.095 -5.867 3.753 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.909 -7.407 4.626 1.00 9.17 H new ATOM 128 N LEU A 8 -7.513 -4.355 7.931 1.00 9.84 N ATOM 129 CA LEU A 8 -8.307 -4.172 9.125 1.00 14.15 C ATOM 130 C LEU A 8 -8.908 -5.412 9.786 1.00 17.37 C ATOM 131 O LEU A 8 -9.298 -5.447 10.976 1.00 17.01 O ATOM 132 CB LEU A 8 -9.574 -3.308 8.753 1.00 16.63 C ATOM 133 CG LEU A 8 -9.237 -1.957 8.035 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.452 -1.156 7.577 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.337 -1.123 8.915 1.00 18.59 C ATOM 0 H LEU A 8 -7.930 -3.895 7.122 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.590 -3.739 9.823 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.226 -3.897 8.108 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.135 -3.094 9.663 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.720 -2.224 7.113 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.121 -0.238 7.092 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.034 -1.749 6.872 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.070 -0.907 8.440 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.105 -0.184 8.412 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.842 -0.914 9.858 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.413 -1.668 9.111 1.00 18.59 H new ATOM 147 N THR A 9 -8.994 -6.522 9.077 1.00 18.33 N ATOM 148 CA THR A 9 -9.650 -7.704 9.557 1.00 19.24 C ATOM 149 C THR A 9 -8.602 -8.772 9.688 1.00 19.48 C ATOM 150 O THR A 9 -8.890 -9.967 9.752 1.00 23.14 O ATOM 151 CB THR A 9 -10.776 -8.156 8.653 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.366 -8.105 7.285 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.016 -7.158 8.719 1.00 19.70 C ATOM 0 H THR A 9 -8.602 -6.620 8.140 1.00 18.33 H new ATOM 0 HA THR A 9 -10.118 -7.493 10.519 1.00 19.24 H new ATOM 0 HB THR A 9 -11.040 -9.160 8.986 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.103 -8.401 6.711 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.805 -7.514 8.057 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.392 -7.112 9.741 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.700 -6.164 8.404 1.00 19.70 H new ATOM 161 N GLY A 10 -7.308 -8.406 9.593 1.00 19.43 N ATOM 162 CA GLY A 10 -6.150 -9.248 9.976 1.00 18.74 C ATOM 163 C GLY A 10 -5.577 -9.886 8.734 1.00 17.62 C ATOM 164 O GLY A 10 -4.438 -10.373 8.769 1.00 19.74 O ATOM 0 H GLY A 10 -7.029 -7.491 9.238 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.392 -8.643 10.473 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.460 -10.015 10.685 1.00 18.74 H new ATOM 168 N LYS A 11 -6.322 -9.890 7.663 1.00 13.56 N ATOM 169 CA LYS A 11 -5.944 -10.459 6.354 1.00 11.91 C ATOM 170 C LYS A 11 -4.604 -9.890 5.773 1.00 10.18 C ATOM 171 O LYS A 11 -4.310 -8.703 5.737 1.00 9.10 O ATOM 172 CB LYS A 11 -7.071 -10.432 5.259 1.00 13.43 C ATOM 173 CG LYS A 11 -6.654 -11.021 3.887 1.00 16.69 C ATOM 174 CD LYS A 11 -7.850 -11.123 2.945 1.00 17.92 C ATOM 175 CE LYS A 11 -7.523 -11.826 1.632 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.739 -11.860 0.792 1.00 21.93 N ATOM 0 H LYS A 11 -7.257 -9.483 7.656 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.782 -11.508 6.602 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.933 -10.986 5.630 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.393 -9.401 5.114 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.885 -10.393 3.437 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.215 -12.008 4.030 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.655 -11.661 3.447 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.222 -10.121 2.730 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.721 -11.301 1.113 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.169 -12.839 1.824 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.566 -12.453 -0.045 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.529 -12.256 1.340 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.978 -10.895 0.488 1.00 21.93 H new ATOM 190 N THR A 12 -3.719 -10.839 5.370 1.00 9.63 N ATOM 191 CA THR A 12 -2.415 -10.530 4.781 1.00 9.85 C ATOM 192 C THR A 12 -2.417 -10.917 3.308 1.00 11.66 C ATOM 193 O THR A 12 -2.803 -12.018 2.959 1.00 12.33 O ATOM 194 CB THR A 12 -1.235 -11.181 5.498 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.390 -11.280 6.934 1.00 10.91 O ATOM 196 CG2 THR A 12 0.114 -10.471 5.135 1.00 9.63 C ATOM 0 H THR A 12 -3.903 -11.839 5.450 1.00 9.63 H new ATOM 0 HA THR A 12 -2.271 -9.456 4.896 1.00 9.85 H new ATOM 0 HB THR A 12 -1.211 -12.207 5.131 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.597 -11.708 7.320 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.935 -10.958 5.662 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.282 -10.537 4.060 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.065 -9.423 5.430 1.00 9.63 H new ATOM 204 N ILE A 13 -1.864 -10.053 2.474 1.00 10.42 N ATOM 205 CA ILE A 13 -1.544 -10.376 1.112 1.00 11.84 C ATOM 206 C ILE A 13 -0.121 -9.961 0.773 1.00 10.55 C ATOM 207 O ILE A 13 0.455 -9.104 1.414 1.00 11.92 O ATOM 208 CB ILE A 13 -2.368 -9.582 0.070 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.378 -8.091 0.396 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.746 -10.167 0.012 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.347 -7.275 -0.473 1.00 16.46 C ATOM 0 H ILE A 13 -1.625 -9.097 2.737 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.735 -11.448 1.057 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.910 -9.667 -0.916 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.645 -7.959 1.444 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.370 -7.694 0.272 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.343 -9.620 -0.718 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.684 -11.215 -0.282 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.215 -10.092 0.993 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.299 -6.225 -0.184 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.068 -7.376 -1.522 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.363 -7.645 -0.331 1.00 16.46 H new ATOM 223 N THR A 14 0.447 -10.619 -0.279 1.00 9.39 N ATOM 224 CA THR A 14 1.871 -10.542 -0.573 1.00 9.63 C ATOM 225 C THR A 14 2.148 -10.006 -1.990 1.00 11.20 C ATOM 226 O THR A 14 1.694 -10.548 -2.978 1.00 11.63 O ATOM 227 CB THR A 14 2.593 -11.859 -0.479 1.00 10.38 C ATOM 228 OG1 THR A 14 2.241 -12.580 0.728 1.00 16.30 O ATOM 229 CG2 THR A 14 4.095 -11.666 -0.590 1.00 11.66 C ATOM 0 H THR A 14 -0.079 -11.205 -0.927 1.00 9.39 H new ATOM 0 HA THR A 14 2.244 -9.863 0.194 1.00 9.63 H new ATOM 0 HB THR A 14 2.271 -12.470 -1.322 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.748 -12.219 1.485 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.592 -12.633 -0.519 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.333 -11.205 -1.549 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.440 -11.021 0.218 1.00 11.66 H new ATOM 237 N LEU A 15 2.864 -8.832 -2.148 1.00 8.29 N ATOM 238 CA LEU A 15 3.030 -8.073 -3.395 1.00 9.03 C ATOM 239 C LEU A 15 4.496 -8.113 -3.785 1.00 8.59 C ATOM 240 O LEU A 15 5.370 -7.902 -2.949 1.00 7.79 O ATOM 241 CB LEU A 15 2.691 -6.549 -3.229 1.00 11.08 C ATOM 242 CG LEU A 15 1.314 -6.286 -2.599 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.149 -4.780 -2.378 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.019 -6.782 -3.266 1.00 15.27 C ATOM 0 H LEU A 15 3.349 -8.395 -1.365 1.00 8.29 H new ATOM 0 HA LEU A 15 2.360 -8.523 -4.128 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.458 -6.081 -2.612 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.731 -6.069 -4.207 1.00 11.08 H new ATOM 0 HG LEU A 15 1.391 -6.921 -1.717 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.175 -4.582 -1.931 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.933 -4.422 -1.711 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.221 -4.262 -3.334 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.867 -6.485 -2.649 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.118 -6.337 -4.256 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.002 -7.868 -3.356 1.00 15.27 H new ATOM 256 N GLU A 16 4.827 -8.217 -5.142 1.00 11.04 N ATOM 257 CA GLU A 16 6.075 -8.102 -5.833 1.00 11.50 C ATOM 258 C GLU A 16 6.405 -6.635 -6.204 1.00 10.13 C ATOM 259 O GLU A 16 5.766 -5.970 -6.993 1.00 9.83 O ATOM 260 CB GLU A 16 6.168 -9.051 -7.040 1.00 17.22 C ATOM 261 CG GLU A 16 7.567 -9.053 -7.625 1.00 23.33 C ATOM 262 CD GLU A 16 7.598 -9.764 -8.951 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.595 -11.017 -9.106 1.00 28.86 O ATOM 264 OE2 GLU A 16 7.610 -8.964 -9.958 1.00 28.90 O ATOM 0 H GLU A 16 4.083 -8.410 -5.813 1.00 11.04 H new ATOM 0 HA GLU A 16 6.847 -8.424 -5.134 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.897 -10.061 -6.734 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.452 -8.746 -7.803 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.914 -8.027 -7.751 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.254 -9.539 -6.932 1.00 23.33 H new ATOM 271 N VAL A 17 7.410 -6.111 -5.607 1.00 8.99 N ATOM 272 CA VAL A 17 7.865 -4.746 -5.633 1.00 8.85 C ATOM 273 C VAL A 17 9.319 -4.854 -5.905 1.00 8.04 C ATOM 274 O VAL A 17 9.868 -5.960 -6.009 1.00 8.99 O ATOM 275 CB VAL A 17 7.682 -3.924 -4.381 1.00 9.78 C ATOM 276 CG1 VAL A 17 6.177 -3.635 -4.183 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.271 -4.635 -3.094 1.00 10.54 C ATOM 0 H VAL A 17 8.012 -6.685 -5.016 1.00 8.99 H new ATOM 0 HA VAL A 17 7.262 -4.217 -6.371 1.00 8.85 H new ATOM 0 HB VAL A 17 8.236 -2.994 -4.509 1.00 9.78 H new ATOM 0 HG11 VAL A 17 6.036 -3.041 -3.280 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.796 -3.084 -5.043 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.635 -4.576 -4.086 1.00 12.05 H new ATOM 0 HG21 VAL A 17 8.112 -4.000 -2.223 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.768 -5.590 -2.943 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.339 -4.805 -3.229 1.00 10.54 H new ATOM 287 N GLU A 18 9.903 -3.684 -6.193 1.00 7.29 N ATOM 288 CA GLU A 18 11.256 -3.544 -5.981 1.00 7.08 C ATOM 289 C GLU A 18 11.218 -2.220 -5.135 1.00 6.45 C ATOM 290 O GLU A 18 10.230 -1.504 -5.083 1.00 5.28 O ATOM 291 CB GLU A 18 12.033 -3.448 -7.270 1.00 10.28 C ATOM 292 CG GLU A 18 12.663 -4.779 -7.713 1.00 12.65 C ATOM 293 CD GLU A 18 13.697 -5.264 -6.732 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.753 -4.609 -6.656 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.471 -6.334 -6.064 1.00 14.33 O ATOM 0 H GLU A 18 9.426 -2.863 -6.565 1.00 7.29 H new ATOM 0 HA GLU A 18 11.765 -4.376 -5.494 1.00 7.08 H new ATOM 0 HB2 GLU A 18 11.370 -3.090 -8.058 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.821 -2.704 -7.154 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.883 -5.532 -7.820 1.00 12.65 H new ATOM 0 HG3 GLU A 18 13.123 -4.655 -8.693 1.00 12.65 H new ATOM 302 N PRO A 19 12.297 -1.694 -4.539 1.00 7.24 N ATOM 303 CA PRO A 19 12.286 -0.430 -3.854 1.00 7.07 C ATOM 304 C PRO A 19 11.740 0.769 -4.642 1.00 6.65 C ATOM 305 O PRO A 19 11.433 1.823 -4.049 1.00 6.37 O ATOM 306 CB PRO A 19 13.736 -0.294 -3.368 1.00 7.61 C ATOM 307 CG PRO A 19 14.288 -1.731 -3.364 1.00 8.16 C ATOM 308 CD PRO A 19 13.552 -2.451 -4.500 1.00 7.49 C ATOM 0 HA PRO A 19 11.563 -0.418 -3.038 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.316 0.350 -4.029 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.779 0.149 -2.373 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.366 -1.739 -3.527 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.107 -2.219 -2.406 1.00 8.16 H new ATOM 0 HD2 PRO A 19 14.096 -2.398 -5.443 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.391 -3.507 -4.284 1.00 7.49 H new ATOM 316 N SER A 20 11.862 0.707 -6.009 1.00 6.80 N ATOM 317 CA SER A 20 11.560 1.826 -6.927 1.00 6.28 C ATOM 318 C SER A 20 10.155 1.892 -7.406 1.00 8.45 C ATOM 319 O SER A 20 9.772 2.765 -8.174 1.00 7.26 O ATOM 320 CB SER A 20 12.425 1.685 -8.234 1.00 8.57 C ATOM 321 OG SER A 20 12.315 0.376 -8.752 1.00 11.13 O ATOM 0 H SER A 20 12.176 -0.134 -6.494 1.00 6.80 H new ATOM 0 HA SER A 20 11.773 2.717 -6.336 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.092 2.408 -8.979 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.469 1.911 -8.014 1.00 8.57 H new ATOM 0 HG SER A 20 12.856 0.300 -9.566 1.00 11.13 H new ATOM 327 N ASP A 21 9.309 0.938 -6.988 1.00 7.50 N ATOM 328 CA ASP A 21 7.869 1.001 -7.205 1.00 7.70 C ATOM 329 C ASP A 21 7.355 2.243 -6.364 1.00 7.08 C ATOM 330 O ASP A 21 7.840 2.588 -5.266 1.00 8.11 O ATOM 331 CB ASP A 21 7.082 -0.248 -6.742 1.00 11.00 C ATOM 332 CG ASP A 21 7.302 -1.320 -7.674 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.435 -1.873 -7.843 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.318 -1.659 -8.376 1.00 18.03 O ATOM 0 H ASP A 21 9.613 0.102 -6.489 1.00 7.50 H new ATOM 0 HA ASP A 21 7.699 1.075 -8.279 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.404 -0.546 -5.744 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.018 -0.019 -6.678 1.00 11.00 H new ATOM 339 N THR A 22 6.356 3.002 -6.900 1.00 5.37 N ATOM 340 CA THR A 22 5.685 4.020 -6.177 1.00 6.01 C ATOM 341 C THR A 22 4.536 3.475 -5.402 1.00 8.01 C ATOM 342 O THR A 22 4.051 2.371 -5.610 1.00 8.11 O ATOM 343 CB THR A 22 5.202 5.309 -6.994 1.00 8.92 C ATOM 344 OG1 THR A 22 4.266 4.992 -8.060 1.00 10.22 O ATOM 345 CG2 THR A 22 6.432 6.101 -7.523 1.00 9.65 C ATOM 0 H THR A 22 6.022 2.890 -7.857 1.00 5.37 H new ATOM 0 HA THR A 22 6.474 4.387 -5.520 1.00 6.01 H new ATOM 0 HB THR A 22 4.649 5.943 -6.300 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.565 4.185 -8.528 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.091 6.975 -8.077 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.047 6.421 -6.682 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.021 5.462 -8.181 1.00 9.65 H new ATOM 353 N ILE A 23 4.055 4.229 -4.377 1.00 8.32 N ATOM 354 CA ILE A 23 2.811 3.822 -3.662 1.00 9.92 C ATOM 355 C ILE A 23 1.593 3.651 -4.592 1.00 10.01 C ATOM 356 O ILE A 23 0.740 2.773 -4.375 1.00 8.71 O ATOM 357 CB ILE A 23 2.532 4.880 -2.620 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.653 4.727 -1.574 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.127 4.827 -1.941 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.910 3.331 -0.962 1.00 12.30 C ATOM 0 H ILE A 23 4.487 5.088 -4.036 1.00 8.32 H new ATOM 0 HA ILE A 23 2.971 2.841 -3.215 1.00 9.92 H new ATOM 0 HB ILE A 23 2.518 5.851 -3.114 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.582 5.063 -2.034 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.437 5.413 -0.755 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.044 5.634 -1.213 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.352 4.941 -2.699 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.003 3.869 -1.436 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.729 3.393 -0.245 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.009 2.985 -0.455 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.173 2.629 -1.754 1.00 12.30 H new ATOM 372 N GLU A 24 1.500 4.472 -5.684 1.00 9.54 N ATOM 373 CA GLU A 24 0.505 4.357 -6.735 1.00 11.81 C ATOM 374 C GLU A 24 0.630 3.042 -7.485 1.00 11.14 C ATOM 375 O GLU A 24 -0.384 2.411 -7.878 1.00 10.62 O ATOM 376 CB GLU A 24 0.863 5.530 -7.681 1.00 19.24 C ATOM 377 CG GLU A 24 0.200 5.390 -9.106 1.00 27.76 C ATOM 378 CD GLU A 24 0.676 6.548 -9.921 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.022 7.639 -9.848 1.00 36.51 O ATOM 380 OE2 GLU A 24 1.729 6.402 -10.632 1.00 34.80 O ATOM 0 H GLU A 24 2.146 5.246 -5.837 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.513 4.387 -6.347 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.543 6.468 -7.227 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.946 5.583 -7.793 1.00 19.24 H new ATOM 0 HG2 GLU A 24 0.483 4.447 -9.573 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -0.887 5.393 -9.028 1.00 27.76 H new ATOM 387 N ASN A 25 1.815 2.480 -7.670 1.00 9.43 N ATOM 388 CA ASN A 25 1.993 1.151 -8.257 1.00 10.96 C ATOM 389 C ASN A 25 1.530 0.113 -7.264 1.00 9.68 C ATOM 390 O ASN A 25 0.751 -0.774 -7.561 1.00 9.33 O ATOM 391 CB ASN A 25 3.521 0.790 -8.684 1.00 16.78 C ATOM 392 CG ASN A 25 4.059 1.737 -9.692 1.00 22.31 C ATOM 393 OD1 ASN A 25 5.241 2.181 -9.649 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.171 2.092 -10.664 1.00 24.70 N ATOM 0 H ASN A 25 2.692 2.935 -7.416 1.00 9.43 H new ATOM 0 HA ASN A 25 1.405 1.153 -9.175 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.157 0.804 -7.799 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.555 -0.223 -9.085 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.451 2.743 -11.398 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.226 1.707 -10.657 1.00 24.70 H new ATOM 401 N VAL A 26 1.923 0.271 -5.943 1.00 6.52 N ATOM 402 CA VAL A 26 1.378 -0.531 -4.836 1.00 5.53 C ATOM 403 C VAL A 26 -0.155 -0.573 -4.829 1.00 4.42 C ATOM 404 O VAL A 26 -0.728 -1.681 -4.745 1.00 3.40 O ATOM 405 CB VAL A 26 1.787 -0.156 -3.401 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.141 -1.024 -2.313 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.351 -0.239 -3.262 1.00 8.12 C ATOM 0 H VAL A 26 2.619 0.956 -5.647 1.00 6.52 H new ATOM 0 HA VAL A 26 1.837 -1.492 -5.070 1.00 5.53 H new ATOM 0 HB VAL A 26 1.424 0.860 -3.242 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.483 -0.693 -1.332 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.056 -0.931 -2.370 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.424 -2.066 -2.463 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.641 0.027 -2.245 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.682 -1.254 -3.480 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.816 0.453 -3.964 1.00 8.12 H new ATOM 417 N LYS A 27 -0.895 0.547 -5.023 1.00 2.64 N ATOM 418 CA LYS A 27 -2.354 0.558 -5.137 1.00 4.14 C ATOM 419 C LYS A 27 -2.888 -0.311 -6.333 1.00 5.58 C ATOM 420 O LYS A 27 -3.889 -0.984 -6.208 1.00 4.11 O ATOM 421 CB LYS A 27 -2.952 2.018 -5.123 1.00 3.97 C ATOM 422 CG LYS A 27 -2.688 2.736 -3.755 1.00 7.45 C ATOM 423 CD LYS A 27 -3.299 4.206 -3.758 1.00 9.02 C ATOM 424 CE LYS A 27 -3.053 4.919 -2.484 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.728 6.253 -2.602 1.00 15.47 N ATOM 0 H LYS A 27 -0.478 1.475 -5.104 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.726 0.070 -4.236 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.510 2.601 -5.932 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.025 1.974 -5.311 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.129 2.156 -2.944 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.616 2.784 -3.566 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.866 4.776 -4.580 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.372 4.151 -3.939 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.453 4.356 -1.641 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.984 5.040 -2.308 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.973 6.603 -1.654 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.085 6.927 -3.064 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.594 6.155 -3.170 1.00 15.47 H new ATOM 439 N ALA A 28 -2.247 -0.282 -7.573 1.00 6.61 N ATOM 440 CA ALA A 28 -2.673 -1.132 -8.709 1.00 7.74 C ATOM 441 C ALA A 28 -2.476 -2.676 -8.437 1.00 9.17 C ATOM 442 O ALA A 28 -3.295 -3.519 -8.798 1.00 11.45 O ATOM 443 CB ALA A 28 -1.977 -0.701 -10.007 1.00 7.68 C ATOM 0 H ALA A 28 -1.450 0.319 -7.781 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.746 -0.980 -8.824 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.306 -1.340 -10.826 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.232 0.335 -10.230 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.897 -0.791 -9.888 1.00 7.68 H new ATOM 449 N LYS A 29 -1.401 -3.087 -7.727 1.00 8.96 N ATOM 450 CA LYS A 29 -1.087 -4.381 -7.219 1.00 7.90 C ATOM 451 C LYS A 29 -2.124 -4.781 -6.150 1.00 6.92 C ATOM 452 O LYS A 29 -2.475 -5.924 -6.101 1.00 6.87 O ATOM 453 CB LYS A 29 0.294 -4.340 -6.565 1.00 10.28 C ATOM 454 CG LYS A 29 1.335 -4.080 -7.645 1.00 14.94 C ATOM 455 CD LYS A 29 2.679 -3.880 -7.032 1.00 19.69 C ATOM 456 CE LYS A 29 3.744 -3.417 -8.020 1.00 22.63 C ATOM 457 NZ LYS A 29 3.929 -4.376 -9.162 1.00 24.98 N ATOM 0 H LYS A 29 -0.668 -2.420 -7.486 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.098 -5.103 -8.036 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.331 -3.557 -5.808 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.501 -5.283 -6.059 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.366 -4.920 -8.339 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.057 -3.199 -8.223 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.597 -3.146 -6.231 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.003 -4.815 -6.575 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.469 -2.438 -8.413 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.692 -3.295 -7.496 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.687 -4.031 -9.785 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.185 -5.313 -8.790 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.043 -4.448 -9.702 1.00 24.98 H new ATOM 471 N ILE A 30 -2.527 -3.947 -5.221 1.00 4.57 N ATOM 472 CA ILE A 30 -3.626 -4.315 -4.329 1.00 5.58 C ATOM 473 C ILE A 30 -4.971 -4.587 -5.024 1.00 7.26 C ATOM 474 O ILE A 30 -5.834 -5.442 -4.686 1.00 9.46 O ATOM 475 CB ILE A 30 -3.753 -3.184 -3.246 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.480 -3.303 -2.319 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.021 -3.442 -2.397 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.414 -2.212 -1.271 1.00 2.00 C ATOM 0 H ILE A 30 -2.126 -3.024 -5.056 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.379 -5.276 -3.878 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.822 -2.197 -3.704 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.485 -4.275 -1.825 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.582 -3.263 -2.936 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.118 -2.662 -1.642 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.899 -3.433 -3.043 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.940 -4.413 -1.908 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.519 -2.345 -0.664 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.379 -1.239 -1.761 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.296 -2.266 -0.633 1.00 2.00 H new ATOM 490 N GLN A 31 -5.266 -3.804 -6.070 1.00 7.06 N ATOM 491 CA GLN A 31 -6.396 -3.958 -7.005 1.00 8.67 C ATOM 492 C GLN A 31 -6.415 -5.306 -7.794 1.00 10.90 C ATOM 493 O GLN A 31 -7.427 -5.996 -7.900 1.00 9.63 O ATOM 494 CB GLN A 31 -6.518 -2.695 -7.849 1.00 9.12 C ATOM 495 CG GLN A 31 -7.810 -2.851 -8.733 1.00 10.76 C ATOM 496 CD GLN A 31 -8.221 -1.482 -9.404 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.336 -1.081 -9.256 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.317 -0.861 -10.232 1.00 14.76 N ATOM 0 H GLN A 31 -4.689 -2.996 -6.303 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.315 -4.054 -6.426 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.591 -1.813 -7.213 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.636 -2.564 -8.476 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.635 -3.598 -9.507 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.632 -3.217 -8.117 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.374 -1.236 -10.330 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.589 -0.025 -10.748 1.00 14.76 H new ATOM 507 N ASP A 32 -5.197 -5.684 -8.142 1.00 10.93 N ATOM 508 CA ASP A 32 -4.787 -7.011 -8.628 1.00 14.01 C ATOM 509 C ASP A 32 -4.978 -8.135 -7.658 1.00 14.04 C ATOM 510 O ASP A 32 -5.355 -9.221 -7.974 1.00 13.39 O ATOM 511 CB ASP A 32 -3.298 -6.964 -9.132 1.00 18.01 C ATOM 512 CG ASP A 32 -3.000 -7.985 -10.207 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.660 -9.135 -9.834 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.045 -7.646 -11.386 1.00 26.29 O ATOM 0 H ASP A 32 -4.409 -5.038 -8.093 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.464 -7.237 -9.452 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.083 -5.967 -9.517 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.630 -7.130 -8.287 1.00 18.01 H new ATOM 519 N LYS A 33 -4.681 -7.969 -6.339 1.00 14.22 N ATOM 520 CA LYS A 33 -4.951 -9.007 -5.400 1.00 14.00 C ATOM 521 C LYS A 33 -6.442 -9.113 -4.911 1.00 12.37 C ATOM 522 O LYS A 33 -7.046 -10.203 -4.991 1.00 12.17 O ATOM 523 CB LYS A 33 -4.149 -8.850 -4.103 1.00 18.62 C ATOM 524 CG LYS A 33 -2.649 -8.813 -4.249 1.00 24.00 C ATOM 525 CD LYS A 33 -2.025 -10.128 -4.797 1.00 27.61 C ATOM 526 CE LYS A 33 -0.556 -9.988 -5.216 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.095 -11.409 -5.585 1.00 30.06 N ATOM 0 H LYS A 33 -4.262 -7.128 -5.942 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.678 -9.891 -5.977 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.468 -7.931 -3.612 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.408 -9.674 -3.438 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.381 -7.993 -4.915 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.207 -8.592 -3.277 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.103 -10.902 -4.034 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.607 -10.466 -5.654 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.453 -9.310 -6.063 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.046 -9.579 -4.405 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.902 -11.385 -5.881 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.196 -12.032 -4.759 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.679 -11.772 -6.365 1.00 30.06 H new ATOM 541 N GLU A 34 -7.040 -7.989 -4.541 1.00 10.11 N ATOM 542 CA GLU A 34 -8.265 -7.898 -3.817 1.00 10.07 C ATOM 543 C GLU A 34 -9.406 -7.192 -4.557 1.00 9.32 C ATOM 544 O GLU A 34 -10.519 -7.189 -4.063 1.00 11.61 O ATOM 545 CB GLU A 34 -8.056 -7.214 -2.492 1.00 14.77 C ATOM 546 CG GLU A 34 -7.217 -8.083 -1.506 1.00 18.75 C ATOM 547 CD GLU A 34 -7.888 -9.430 -1.223 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.067 -9.458 -0.682 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.245 -10.456 -1.495 1.00 25.19 O ATOM 0 H GLU A 34 -6.647 -7.073 -4.759 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.573 -8.935 -3.682 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.552 -6.261 -2.653 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.024 -6.991 -2.044 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.225 -8.252 -1.924 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.080 -7.541 -0.570 1.00 18.75 H new ATOM 556 N GLY A 35 -9.130 -6.606 -5.729 1.00 7.22 N ATOM 557 CA GLY A 35 -10.060 -5.751 -6.455 1.00 6.29 C ATOM 558 C GLY A 35 -10.237 -4.335 -5.901 1.00 6.93 C ATOM 559 O GLY A 35 -10.758 -3.460 -6.607 1.00 7.41 O ATOM 0 H GLY A 35 -8.234 -6.719 -6.203 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.723 -5.676 -7.489 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.035 -6.239 -6.471 1.00 6.29 H new ATOM 563 N ILE A 36 -9.703 -3.968 -4.731 1.00 5.86 N ATOM 564 CA ILE A 36 -9.982 -2.585 -4.237 1.00 6.07 C ATOM 565 C ILE A 36 -9.481 -1.433 -5.119 1.00 6.36 C ATOM 566 O ILE A 36 -8.316 -1.472 -5.510 1.00 6.18 O ATOM 567 CB ILE A 36 -9.334 -2.400 -2.845 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.692 -3.561 -1.908 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.915 -1.123 -2.211 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.666 -3.870 -0.775 1.00 9.49 C ATOM 0 H ILE A 36 -9.115 -4.549 -4.134 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.070 -2.521 -4.231 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.253 -2.351 -2.974 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.656 -3.346 -1.448 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.820 -4.461 -2.510 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.472 -0.971 -1.227 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.689 -0.266 -2.846 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.995 -1.226 -2.111 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.025 -4.708 -0.178 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.703 -4.125 -1.216 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.552 -2.993 -0.138 1.00 9.49 H new ATOM 582 N PRO A 37 -10.341 -0.502 -5.640 1.00 8.65 N ATOM 583 CA PRO A 37 -9.884 0.707 -6.419 1.00 9.18 C ATOM 584 C PRO A 37 -8.845 1.509 -5.728 1.00 9.85 C ATOM 585 O PRO A 37 -8.797 1.514 -4.525 1.00 8.51 O ATOM 586 CB PRO A 37 -11.093 1.512 -6.560 1.00 11.42 C ATOM 587 CG PRO A 37 -12.240 0.498 -6.670 1.00 9.27 C ATOM 588 CD PRO A 37 -11.806 -0.633 -5.647 1.00 8.33 C ATOM 0 HA PRO A 37 -9.427 0.398 -7.359 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.230 2.170 -5.702 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.042 2.147 -7.444 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.199 0.941 -6.401 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.341 0.110 -7.683 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.234 -0.472 -4.657 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.125 -1.622 -5.975 1.00 8.33 H new ATOM 596 N PRO A 38 -8.013 2.326 -6.396 1.00 8.71 N ATOM 597 CA PRO A 38 -7.007 3.029 -5.645 1.00 9.08 C ATOM 598 C PRO A 38 -7.562 4.016 -4.625 1.00 9.28 C ATOM 599 O PRO A 38 -6.948 4.110 -3.574 1.00 6.50 O ATOM 600 CB PRO A 38 -6.251 3.740 -6.744 1.00 10.31 C ATOM 601 CG PRO A 38 -6.268 2.713 -7.875 1.00 10.81 C ATOM 602 CD PRO A 38 -7.581 2.025 -7.761 1.00 12.00 C ATOM 0 HA PRO A 38 -6.408 2.359 -5.028 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.737 4.671 -7.034 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.235 3.992 -6.440 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.160 3.196 -8.846 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.444 2.006 -7.777 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.293 2.397 -8.498 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.486 0.951 -7.923 1.00 12.00 H new ATOM 610 N ASP A 39 -8.659 4.779 -4.990 1.00 11.20 N ATOM 611 CA ASP A 39 -9.351 5.686 -4.087 1.00 14.96 C ATOM 612 C ASP A 39 -10.277 5.013 -2.983 1.00 13.99 C ATOM 613 O ASP A 39 -10.779 5.746 -2.125 1.00 13.75 O ATOM 614 CB ASP A 39 -10.237 6.812 -4.839 1.00 24.16 C ATOM 615 CG ASP A 39 -9.355 7.542 -5.794 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.503 8.396 -5.329 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.393 7.214 -7.014 1.00 34.22 O ATOM 0 H ASP A 39 -9.061 4.757 -5.927 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.501 6.142 -3.579 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.069 6.349 -5.369 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.666 7.504 -4.114 1.00 24.16 H new ATOM 622 N GLN A 40 -10.382 3.680 -2.960 1.00 11.60 N ATOM 623 CA GLN A 40 -11.003 2.961 -1.861 1.00 10.76 C ATOM 624 C GLN A 40 -9.905 2.449 -0.882 1.00 8.01 C ATOM 625 O GLN A 40 -10.127 1.845 0.201 1.00 8.96 O ATOM 626 CB GLN A 40 -11.922 1.841 -2.255 1.00 11.14 C ATOM 627 CG GLN A 40 -13.268 2.289 -2.894 1.00 14.85 C ATOM 628 CD GLN A 40 -14.103 1.221 -3.518 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.120 0.097 -3.026 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.997 1.588 -4.474 1.00 18.16 N ATOM 0 H GLN A 40 -10.037 3.076 -3.706 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.654 3.686 -1.373 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.400 1.194 -2.960 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.139 1.241 -1.371 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.863 2.780 -2.124 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.050 3.039 -3.655 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.964 2.528 -4.869 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.701 0.924 -4.796 1.00 18.16 H new ATOM 639 N GLN A 41 -8.620 2.804 -1.171 1.00 6.52 N ATOM 640 CA GLN A 41 -7.379 2.428 -0.419 1.00 3.87 C ATOM 641 C GLN A 41 -6.822 3.648 0.368 1.00 4.79 C ATOM 642 O GLN A 41 -6.603 4.700 -0.201 1.00 6.34 O ATOM 643 CB GLN A 41 -6.230 1.868 -1.330 1.00 4.20 C ATOM 644 CG GLN A 41 -6.610 0.545 -2.034 1.00 3.20 C ATOM 645 CD GLN A 41 -5.494 0.094 -2.999 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.328 0.177 -2.679 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.854 -0.303 -4.224 1.00 7.13 N ATOM 0 H GLN A 41 -8.407 3.391 -1.977 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.687 1.631 0.258 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.974 2.614 -2.083 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.338 1.708 -0.724 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.787 -0.230 -1.289 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.541 0.676 -2.585 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.842 -0.365 -4.470 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.141 -0.544 -4.912 1.00 7.13 H new ATOM 656 N ARG A 42 -6.556 3.469 1.708 1.00 5.73 N ATOM 657 CA ARG A 42 -5.581 4.277 2.369 1.00 6.97 C ATOM 658 C ARG A 42 -4.487 3.310 2.765 1.00 7.15 C ATOM 659 O ARG A 42 -4.726 2.284 3.383 1.00 7.33 O ATOM 660 CB ARG A 42 -6.170 5.053 3.593 1.00 13.23 C ATOM 661 CG ARG A 42 -6.730 6.391 3.202 1.00 21.27 C ATOM 662 CD ARG A 42 -7.113 7.186 4.470 1.00 26.14 C ATOM 663 NE ARG A 42 -7.746 8.538 4.039 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.716 9.168 4.759 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.398 8.689 5.794 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.162 10.340 4.285 1.00 36.39 N ATOM 0 H ARG A 42 -7.015 2.777 2.301 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.206 5.068 1.720 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.954 4.455 4.057 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.390 5.192 4.342 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.995 6.948 2.620 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.605 6.258 2.566 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.817 6.615 5.075 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.231 7.361 5.087 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.420 8.974 3.177 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.215 7.744 6.132 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.104 9.266 6.250 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.776 10.721 3.421 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.888 10.851 4.788 1.00 36.39 H new ATOM 680 N LEU A 43 -3.256 3.676 2.401 1.00 4.65 N ATOM 681 CA LEU A 43 -2.050 2.918 2.755 1.00 3.51 C ATOM 682 C LEU A 43 -1.211 3.602 3.865 1.00 5.56 C ATOM 683 O LEU A 43 -1.096 4.844 3.931 1.00 4.19 O ATOM 684 CB LEU A 43 -1.214 2.590 1.477 1.00 3.74 C ATOM 685 CG LEU A 43 -1.994 1.928 0.284 1.00 6.32 C ATOM 686 CD1 LEU A 43 -1.017 1.714 -0.888 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.698 0.616 0.682 1.00 6.41 C ATOM 0 H LEU A 43 -3.065 4.512 1.849 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.372 1.972 3.190 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.761 3.514 1.118 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.399 1.926 1.763 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.794 2.603 -0.021 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.546 1.255 -1.723 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.609 2.675 -1.201 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.205 1.061 -0.570 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.220 0.206 -0.183 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.957 -0.102 1.033 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.416 0.815 1.478 1.00 6.41 H new ATOM 699 N ILE A 44 -0.718 2.699 4.795 1.00 4.58 N ATOM 700 CA ILE A 44 -0.151 3.150 6.095 1.00 5.55 C ATOM 701 C ILE A 44 1.076 2.301 6.411 1.00 5.46 C ATOM 702 O ILE A 44 1.095 1.091 6.156 1.00 6.04 O ATOM 703 CB ILE A 44 -1.116 2.959 7.372 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.508 3.559 7.207 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.400 3.509 8.618 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.778 5.022 6.864 1.00 13.90 C ATOM 0 H ILE A 44 -0.709 1.688 4.659 1.00 4.58 H new ATOM 0 HA ILE A 44 0.040 4.214 5.958 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.302 1.891 7.483 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.002 2.970 6.434 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.035 3.365 8.141 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.042 3.386 9.490 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.531 2.964 8.773 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.181 4.567 8.475 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.853 5.189 6.805 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.353 5.661 7.638 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.320 5.261 5.904 1.00 13.90 H new ATOM 718 N PHE A 45 2.209 2.951 6.830 1.00 6.75 N ATOM 719 CA PHE A 45 3.396 2.370 7.316 1.00 4.70 C ATOM 720 C PHE A 45 4.006 3.365 8.294 1.00 6.34 C ATOM 721 O PHE A 45 4.000 4.598 8.073 1.00 5.45 O ATOM 722 CB PHE A 45 4.268 1.947 6.119 1.00 5.51 C ATOM 723 CG PHE A 45 5.595 1.433 6.596 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.610 0.148 7.115 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.734 2.208 6.612 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.875 -0.413 7.581 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.942 1.710 7.166 1.00 6.64 C ATOM 728 CZ PHE A 45 7.966 0.422 7.714 1.00 6.84 C ATOM 0 H PHE A 45 2.267 3.969 6.815 1.00 6.75 H new ATOM 0 HA PHE A 45 3.252 1.446 7.876 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.757 1.175 5.543 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.418 2.796 5.452 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.700 -0.430 7.174 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.707 3.205 6.198 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.956 -1.464 7.818 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.834 2.319 7.165 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.843 0.080 8.244 1.00 6.84 H new ATOM 738 N ALA A 46 4.606 2.838 9.385 1.00 6.53 N ATOM 739 CA ALA A 46 5.162 3.580 10.495 1.00 7.15 C ATOM 740 C ALA A 46 4.635 5.000 10.917 1.00 9.00 C ATOM 741 O ALA A 46 5.305 6.034 10.876 1.00 11.15 O ATOM 742 CB ALA A 46 6.621 3.643 10.283 1.00 8.99 C ATOM 0 H ALA A 46 4.711 1.830 9.503 1.00 6.53 H new ATOM 0 HA ALA A 46 4.804 3.005 11.349 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.084 4.196 11.100 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.028 2.632 10.253 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.830 4.147 9.339 1.00 8.99 H new ATOM 748 N GLY A 47 3.420 4.998 11.341 1.00 9.35 N ATOM 749 CA GLY A 47 2.795 6.188 11.977 1.00 11.68 C ATOM 750 C GLY A 47 2.300 7.205 10.930 1.00 11.14 C ATOM 751 O GLY A 47 1.757 8.274 11.277 1.00 13.93 O ATOM 0 H GLY A 47 2.801 4.190 11.274 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.958 5.870 12.598 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.517 6.669 12.637 1.00 11.68 H new ATOM 755 N LYS A 48 2.448 6.892 9.651 1.00 10.47 N ATOM 756 CA LYS A 48 2.125 7.735 8.493 1.00 8.82 C ATOM 757 C LYS A 48 1.183 7.061 7.475 1.00 7.68 C ATOM 758 O LYS A 48 1.338 5.951 7.032 1.00 6.47 O ATOM 759 CB LYS A 48 3.382 8.234 7.712 1.00 9.74 C ATOM 760 CG LYS A 48 4.519 8.842 8.504 1.00 14.14 C ATOM 761 CD LYS A 48 5.780 9.196 7.625 1.00 16.32 C ATOM 762 CE LYS A 48 6.982 9.413 8.480 1.00 20.04 C ATOM 763 NZ LYS A 48 8.078 9.908 7.618 1.00 23.92 N ATOM 0 H LYS A 48 2.820 5.985 9.369 1.00 10.47 H new ATOM 0 HA LYS A 48 1.617 8.584 8.949 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.782 7.390 7.149 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.050 8.974 6.984 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.164 9.747 8.997 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.817 8.147 9.289 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.973 8.389 6.918 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.579 10.093 7.039 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.763 10.133 9.268 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.273 8.484 8.970 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.929 10.067 8.195 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.286 9.204 6.882 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.791 10.802 7.171 1.00 23.92 H new ATOM 777 N GLN A 49 0.248 7.910 7.019 1.00 8.89 N ATOM 778 CA GLN A 49 -0.485 7.636 5.713 1.00 7.18 C ATOM 779 C GLN A 49 0.467 7.873 4.510 1.00 8.23 C ATOM 780 O GLN A 49 1.343 8.744 4.503 1.00 9.70 O ATOM 781 CB GLN A 49 -1.758 8.524 5.735 1.00 11.67 C ATOM 782 CG GLN A 49 -2.596 8.568 4.462 1.00 15.82 C ATOM 783 CD GLN A 49 -3.823 9.440 4.627 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.460 9.378 5.683 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.216 10.333 3.679 1.00 20.67 N ATOM 0 H GLN A 49 -0.031 8.768 7.494 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.800 6.598 5.602 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.397 8.180 6.549 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.456 9.543 5.976 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.989 8.947 3.640 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.902 7.557 4.193 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.704 10.401 2.799 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.022 10.934 3.848 1.00 20.67 H new ATOM 794 N LEU A 50 0.386 7.181 3.376 1.00 6.51 N ATOM 795 CA LEU A 50 1.465 7.216 2.387 1.00 7.41 C ATOM 796 C LEU A 50 0.926 7.904 1.182 1.00 8.27 C ATOM 797 O LEU A 50 -0.134 7.595 0.727 1.00 8.34 O ATOM 798 CB LEU A 50 1.974 5.788 2.040 1.00 7.13 C ATOM 799 CG LEU A 50 2.336 4.905 3.262 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.909 3.550 2.676 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.377 5.519 4.252 1.00 9.11 C ATOM 0 H LEU A 50 -0.407 6.594 3.119 1.00 6.51 H new ATOM 0 HA LEU A 50 2.327 7.752 2.786 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.208 5.278 1.457 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.853 5.877 1.402 1.00 7.13 H new ATOM 0 HG LEU A 50 1.432 4.783 3.859 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.182 2.886 3.496 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.150 3.071 2.058 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.790 3.760 2.070 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.558 4.820 5.069 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.311 5.711 3.725 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.989 6.455 4.654 1.00 9.11 H new ATOM 813 N GLU A 51 1.677 8.888 0.694 1.00 9.43 N ATOM 814 CA GLU A 51 1.374 9.531 -0.529 1.00 11.90 C ATOM 815 C GLU A 51 1.900 8.859 -1.830 1.00 11.49 C ATOM 816 O GLU A 51 3.008 8.347 -1.868 1.00 9.88 O ATOM 817 CB GLU A 51 1.995 10.928 -0.433 1.00 16.56 C ATOM 818 CG GLU A 51 1.393 11.802 0.755 1.00 26.06 C ATOM 819 CD GLU A 51 2.131 13.103 0.768 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.704 14.079 0.033 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.050 13.266 1.653 1.00 33.44 O ATOM 0 H GLU A 51 2.512 9.245 1.158 1.00 9.43 H new ATOM 0 HA GLU A 51 0.289 9.502 -0.632 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.072 10.831 -0.295 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.841 11.453 -1.376 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.326 11.967 0.608 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.507 11.286 1.708 1.00 26.06 H new ATOM 828 N ASP A 52 0.974 8.872 -2.855 1.00 12.71 N ATOM 829 CA ASP A 52 0.984 8.055 -4.099 1.00 16.56 C ATOM 830 C ASP A 52 2.314 8.138 -4.807 1.00 15.83 C ATOM 831 O ASP A 52 2.811 7.160 -5.335 1.00 17.21 O ATOM 832 CB ASP A 52 -0.072 8.619 -5.152 1.00 21.05 C ATOM 833 CG ASP A 52 -1.448 8.670 -4.571 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.021 7.601 -4.246 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.022 9.776 -4.508 1.00 25.82 O ATOM 0 H ASP A 52 0.164 9.490 -2.820 1.00 12.71 H new ATOM 0 HA ASP A 52 0.758 7.036 -3.786 1.00 16.56 H new ATOM 0 HB2 ASP A 52 0.227 9.618 -5.470 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.074 7.988 -6.041 1.00 21.05 H new ATOM 840 N GLY A 53 2.805 9.370 -4.934 1.00 15.00 N ATOM 841 CA GLY A 53 3.868 9.790 -5.876 1.00 11.77 C ATOM 842 C GLY A 53 5.255 9.375 -5.449 1.00 11.10 C ATOM 843 O GLY A 53 6.232 9.576 -6.163 1.00 11.25 O ATOM 0 H GLY A 53 2.465 10.144 -4.363 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.658 9.368 -6.859 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.839 10.874 -5.982 1.00 11.77 H new ATOM 847 N ARG A 54 5.365 8.865 -4.244 1.00 8.53 N ATOM 848 CA ARG A 54 6.592 8.458 -3.564 1.00 9.05 C ATOM 849 C ARG A 54 6.846 6.964 -3.770 1.00 8.96 C ATOM 850 O ARG A 54 5.964 6.149 -4.002 1.00 11.60 O ATOM 851 CB ARG A 54 6.548 8.675 -2.075 1.00 7.97 C ATOM 852 CG ARG A 54 5.898 10.024 -1.627 1.00 9.62 C ATOM 853 CD ARG A 54 6.807 11.294 -1.774 1.00 12.20 C ATOM 854 NE ARG A 54 5.962 12.517 -2.007 1.00 18.23 N ATOM 855 CZ ARG A 54 5.079 13.016 -1.140 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.151 12.729 0.160 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.044 13.799 -1.523 1.00 23.38 N ATOM 0 H ARG A 54 4.542 8.709 -3.662 1.00 8.53 H new ATOM 0 HA ARG A 54 7.377 9.077 -3.998 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.996 7.853 -1.619 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.565 8.631 -1.686 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.989 10.180 -2.208 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.597 9.933 -0.583 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.408 11.425 -0.874 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.500 11.159 -2.604 1.00 12.20 H new ATOM 0 HE ARG A 54 6.073 13.002 -2.897 1.00 18.23 H new ATOM 0 HH11 ARG A 54 5.890 12.118 0.507 1.00 25.50 H new ATOM 0 HH12 ARG A 54 4.467 13.120 0.807 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.916 14.029 -2.508 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.392 14.159 -0.826 1.00 23.38 H new ATOM 871 N THR A 55 8.196 6.660 -3.756 1.00 9.05 N ATOM 872 CA THR A 55 8.709 5.352 -3.844 1.00 9.03 C ATOM 873 C THR A 55 8.720 4.637 -2.490 1.00 8.15 C ATOM 874 O THR A 55 8.576 5.220 -1.411 1.00 5.91 O ATOM 875 CB THR A 55 10.071 5.105 -4.509 1.00 11.15 C ATOM 876 OG1 THR A 55 11.153 5.605 -3.709 1.00 11.95 O ATOM 877 CG2 THR A 55 10.046 5.879 -5.916 1.00 11.71 C ATOM 0 H THR A 55 8.921 7.373 -3.680 1.00 9.05 H new ATOM 0 HA THR A 55 7.985 4.940 -4.547 1.00 9.03 H new ATOM 0 HB THR A 55 10.232 4.034 -4.632 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.257 6.567 -3.864 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.997 5.733 -6.429 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.237 5.487 -6.533 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.887 6.943 -5.743 1.00 11.71 H new ATOM 885 N LEU A 56 8.846 3.318 -2.480 1.00 6.91 N ATOM 886 CA LEU A 56 9.039 2.519 -1.262 1.00 8.29 C ATOM 887 C LEU A 56 10.287 3.014 -0.584 1.00 8.05 C ATOM 888 O LEU A 56 10.384 3.142 0.628 1.00 10.17 O ATOM 889 CB LEU A 56 9.232 0.976 -1.495 1.00 6.60 C ATOM 890 CG LEU A 56 7.944 0.119 -1.515 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.090 0.292 -2.760 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.398 -1.285 -1.358 1.00 8.64 C ATOM 0 H LEU A 56 8.817 2.755 -3.330 1.00 6.91 H new ATOM 0 HA LEU A 56 8.127 2.639 -0.677 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.751 0.836 -2.443 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.887 0.591 -0.713 1.00 6.60 H new ATOM 0 HG LEU A 56 7.282 0.439 -0.710 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.209 -0.346 -2.688 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.779 1.333 -2.846 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.669 0.013 -3.640 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.534 -1.950 -1.364 1.00 8.64 H new ATOM 0 HD22 LEU A 56 9.062 -1.547 -2.181 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.932 -1.391 -0.413 1.00 8.64 H new ATOM 904 N SER A 57 11.349 3.258 -1.371 1.00 8.92 N ATOM 905 CA SER A 57 12.713 3.674 -0.861 1.00 9.00 C ATOM 906 C SER A 57 12.694 4.968 -0.054 1.00 9.44 C ATOM 907 O SER A 57 13.185 5.070 1.076 1.00 10.91 O ATOM 908 CB SER A 57 13.777 3.690 -2.026 1.00 10.32 C ATOM 909 OG SER A 57 13.748 4.831 -2.888 1.00 13.59 O ATOM 0 H SER A 57 11.309 3.178 -2.387 1.00 8.92 H new ATOM 0 HA SER A 57 13.025 2.911 -0.148 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.771 3.619 -1.584 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.634 2.797 -2.634 1.00 10.32 H new ATOM 0 HG SER A 57 12.819 5.045 -3.116 1.00 13.59 H new ATOM 915 N ASP A 58 11.913 5.973 -0.498 1.00 9.11 N ATOM 916 CA ASP A 58 11.594 7.222 0.101 1.00 7.91 C ATOM 917 C ASP A 58 10.766 7.116 1.432 1.00 9.12 C ATOM 918 O ASP A 58 10.755 7.998 2.289 1.00 8.61 O ATOM 919 CB ASP A 58 10.890 8.103 -0.971 1.00 8.41 C ATOM 920 CG ASP A 58 11.813 8.383 -2.152 1.00 11.50 C ATOM 921 OD1 ASP A 58 13.008 8.804 -2.003 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.320 8.227 -3.309 1.00 11.70 O ATOM 0 H ASP A 58 11.448 5.885 -1.401 1.00 9.11 H new ATOM 0 HA ASP A 58 12.524 7.690 0.425 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.989 7.601 -1.322 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.576 9.045 -0.521 1.00 8.41 H new ATOM 927 N TYR A 59 10.086 5.967 1.727 1.00 7.97 N ATOM 928 CA TYR A 59 9.459 5.787 3.018 1.00 8.45 C ATOM 929 C TYR A 59 10.100 4.701 3.819 1.00 10.98 C ATOM 930 O TYR A 59 9.556 4.267 4.836 1.00 12.95 O ATOM 931 CB TYR A 59 7.984 5.455 2.769 1.00 7.94 C ATOM 932 CG TYR A 59 7.063 6.655 2.552 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.840 7.649 3.546 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.247 6.630 1.404 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.916 8.651 3.356 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.344 7.696 1.172 1.00 6.52 C ATOM 937 CZ TYR A 59 5.224 8.716 2.124 1.00 6.76 C ATOM 938 OH TYR A 59 4.205 9.791 1.967 1.00 7.63 O ATOM 0 H TYR A 59 9.975 5.183 1.084 1.00 7.97 H new ATOM 0 HA TYR A 59 9.571 6.703 3.598 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.919 4.807 1.895 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.611 4.883 3.618 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.406 7.616 4.465 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.309 5.806 0.708 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.723 9.375 4.134 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.753 7.722 0.269 1.00 6.52 H new ATOM 0 HH TYR A 59 4.529 10.458 1.326 1.00 7.63 H new ATOM 948 N ASN A 60 11.305 4.277 3.392 1.00 12.38 N ATOM 949 CA ASN A 60 12.097 3.324 4.109 1.00 13.94 C ATOM 950 C ASN A 60 11.607 1.911 4.204 1.00 14.16 C ATOM 951 O ASN A 60 11.885 1.196 5.151 1.00 14.26 O ATOM 952 CB ASN A 60 12.498 3.859 5.546 1.00 19.23 C ATOM 953 CG ASN A 60 13.104 5.259 5.461 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.582 6.354 5.713 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.385 5.304 5.071 1.00 24.09 N ATOM 0 H ASN A 60 11.739 4.604 2.529 1.00 12.38 H new ATOM 0 HA ASN A 60 12.967 3.240 3.458 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.618 3.878 6.189 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.213 3.177 6.005 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.865 6.201 4.999 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.880 4.441 4.847 1.00 24.09 H new ATOM 962 N ILE A 61 10.874 1.442 3.197 1.00 11.08 N ATOM 963 CA ILE A 61 10.306 0.127 3.160 1.00 11.78 C ATOM 964 C ILE A 61 11.235 -0.894 2.553 1.00 13.74 C ATOM 965 O ILE A 61 11.883 -0.638 1.569 1.00 14.60 O ATOM 966 CB ILE A 61 9.003 0.111 2.418 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.053 1.082 3.224 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.390 -1.265 2.312 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.774 1.532 2.519 1.00 11.42 C ATOM 0 H ILE A 61 10.662 1.995 2.367 1.00 11.08 H new ATOM 0 HA ILE A 61 10.135 -0.148 4.201 1.00 11.78 H new ATOM 0 HB ILE A 61 9.156 0.427 1.386 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.773 0.589 4.155 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.624 1.971 3.493 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.450 -1.203 1.764 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.075 -1.929 1.784 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.202 -1.658 3.311 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.210 2.194 3.176 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.031 2.063 1.603 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.167 0.660 2.275 1.00 11.42 H new ATOM 981 N GLN A 62 11.390 -2.035 3.261 1.00 13.97 N ATOM 982 CA GLN A 62 12.411 -3.057 3.079 1.00 15.52 C ATOM 983 C GLN A 62 11.820 -4.366 2.808 1.00 13.94 C ATOM 984 O GLN A 62 10.604 -4.584 2.761 1.00 12.15 O ATOM 985 CB GLN A 62 13.215 -3.124 4.405 1.00 19.53 C ATOM 986 CG GLN A 62 13.945 -1.801 4.766 1.00 26.38 C ATOM 987 CD GLN A 62 14.316 -1.694 6.232 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.220 -0.642 6.892 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.721 -2.789 6.898 1.00 32.71 N ATOM 0 H GLN A 62 10.755 -2.270 4.024 1.00 13.97 H new ATOM 0 HA GLN A 62 13.042 -2.803 2.227 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.537 -3.386 5.217 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.950 -3.925 4.332 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.850 -1.719 4.164 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.307 -0.959 4.499 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.817 -3.678 6.407 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.932 -2.731 7.894 1.00 32.71 H new ATOM 998 N LYS A 63 12.687 -5.313 2.417 1.00 11.73 N ATOM 999 CA LYS A 63 12.250 -6.671 2.014 1.00 11.97 C ATOM 1000 C LYS A 63 11.456 -7.525 2.981 1.00 10.41 C ATOM 1001 O LYS A 63 11.912 -7.831 4.078 1.00 9.59 O ATOM 1002 CB LYS A 63 13.541 -7.531 1.633 1.00 13.73 C ATOM 1003 CG LYS A 63 13.376 -8.904 0.940 1.00 16.98 C ATOM 1004 CD LYS A 63 14.652 -9.411 0.284 1.00 20.19 C ATOM 1005 CE LYS A 63 15.784 -9.816 1.307 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.378 -10.862 2.245 1.00 25.97 N ATOM 0 H LYS A 63 13.696 -5.169 2.369 1.00 11.73 H new ATOM 0 HA LYS A 63 11.554 -6.447 1.206 1.00 11.97 H new ATOM 0 HB2 LYS A 63 14.163 -6.913 0.985 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.104 -7.697 2.552 1.00 13.73 H new ATOM 0 HG2 LYS A 63 13.040 -9.635 1.675 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.594 -8.829 0.185 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.411 -10.275 -0.336 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.038 -8.639 -0.382 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.659 -10.156 0.752 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.087 -8.933 1.869 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.196 -11.150 2.819 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.629 -10.498 2.868 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.020 -11.683 1.716 1.00 25.97 H new ATOM 1020 N GLU A 64 10.178 -7.848 2.594 1.00 10.04 N ATOM 1021 CA GLU A 64 9.199 -8.601 3.299 1.00 10.94 C ATOM 1022 C GLU A 64 8.503 -7.716 4.381 1.00 9.74 C ATOM 1023 O GLU A 64 7.970 -8.224 5.347 1.00 9.42 O ATOM 1024 CB GLU A 64 9.693 -9.889 3.889 1.00 18.31 C ATOM 1025 CG GLU A 64 10.249 -10.855 2.819 1.00 24.16 C ATOM 1026 CD GLU A 64 10.681 -12.083 3.412 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.497 -12.046 4.390 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.342 -13.145 2.852 1.00 31.72 O ATOM 0 H GLU A 64 9.820 -7.537 1.691 1.00 10.04 H new ATOM 0 HA GLU A 64 8.470 -8.904 2.547 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.472 -9.675 4.620 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.878 -10.376 4.425 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.481 -11.058 2.073 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.083 -10.385 2.298 1.00 24.16 H new ATOM 1035 N SER A 65 8.639 -6.372 4.312 1.00 6.85 N ATOM 1036 CA SER A 65 8.065 -5.512 5.349 1.00 6.90 C ATOM 1037 C SER A 65 6.530 -5.520 5.240 1.00 4.72 C ATOM 1038 O SER A 65 5.975 -5.785 4.176 1.00 3.91 O ATOM 1039 CB SER A 65 8.487 -4.095 5.181 1.00 7.28 C ATOM 1040 OG SER A 65 8.274 -3.358 6.419 1.00 10.56 O ATOM 0 H SER A 65 9.129 -5.878 3.566 1.00 6.85 H new ATOM 0 HA SER A 65 8.411 -5.899 6.308 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.539 -4.052 4.900 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.922 -3.633 4.372 1.00 7.28 H new ATOM 0 HG SER A 65 7.788 -2.529 6.227 1.00 10.56 H new ATOM 1046 N THR A 66 5.852 -5.231 6.362 1.00 4.48 N ATOM 1047 CA THR A 66 4.426 -5.255 6.550 1.00 3.80 C ATOM 1048 C THR A 66 3.875 -3.847 6.431 1.00 4.60 C ATOM 1049 O THR A 66 4.052 -3.074 7.399 1.00 5.33 O ATOM 1050 CB THR A 66 3.966 -5.811 7.907 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.420 -7.143 8.082 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.383 -5.843 8.074 1.00 3.40 C ATOM 0 H THR A 66 6.340 -4.956 7.214 1.00 4.48 H new ATOM 0 HA THR A 66 4.049 -5.924 5.777 1.00 3.80 H new ATOM 0 HB THR A 66 4.391 -5.134 8.648 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.119 -7.480 8.952 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.129 -6.246 9.054 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.987 -4.831 7.984 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.948 -6.473 7.298 1.00 3.40 H new ATOM 1060 N LEU A 67 3.140 -3.542 5.357 1.00 4.17 N ATOM 1061 CA LEU A 67 2.358 -2.370 5.292 1.00 3.85 C ATOM 1062 C LEU A 67 0.936 -2.556 5.837 1.00 3.80 C ATOM 1063 O LEU A 67 0.548 -3.696 5.964 1.00 5.54 O ATOM 1064 CB LEU A 67 2.327 -1.917 3.843 1.00 7.18 C ATOM 1065 CG LEU A 67 3.675 -1.915 3.079 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.446 -1.127 1.787 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.812 -1.332 3.934 1.00 11.66 C ATOM 0 H LEU A 67 3.091 -4.124 4.521 1.00 4.17 H new ATOM 0 HA LEU A 67 2.813 -1.614 5.932 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.632 -2.559 3.302 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.918 -0.907 3.812 1.00 7.18 H new ATOM 0 HG LEU A 67 3.994 -2.931 2.846 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.371 -1.097 1.211 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.667 -1.612 1.198 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.137 -0.111 2.031 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.741 -1.348 3.364 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.571 -0.305 4.208 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.931 -1.930 4.838 1.00 11.66 H new ATOM 1079 N HIS A 68 0.217 -1.542 6.239 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.118 -1.713 6.738 1.00 4.17 C ATOM 1081 C HIS A 68 -2.059 -1.084 5.662 1.00 5.32 C ATOM 1082 O HIS A 68 -1.709 -0.127 4.963 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.371 -1.040 8.160 1.00 5.57 C ATOM 1084 CG HIS A 68 -2.792 -1.036 8.668 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.625 -2.145 8.454 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.526 -0.101 9.316 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -4.829 -1.779 9.012 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -4.824 -0.546 9.528 1.00 16.30 N ATOM 0 H HIS A 68 0.542 -0.575 6.229 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.308 -2.774 6.900 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.749 -1.553 8.894 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.024 -0.008 8.114 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -3.391 -3.023 7.990 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -3.152 0.863 9.627 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.694 -2.426 9.031 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.261 -1.721 5.485 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.284 -1.431 4.486 1.00 3.97 C ATOM 1098 C LEU A 69 -5.618 -1.102 5.123 1.00 5.07 C ATOM 1099 O LEU A 69 -6.215 -1.934 5.837 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.402 -2.638 3.468 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.746 -2.680 2.672 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.117 -1.476 1.875 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.641 -3.857 1.686 1.00 9.96 C ATOM 0 H LEU A 69 -3.535 -2.497 6.088 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.980 -0.542 3.933 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.575 -2.582 2.760 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.289 -3.573 4.017 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.522 -2.760 3.433 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -7.071 -1.649 1.378 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -6.203 -0.614 2.537 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.348 -1.284 1.127 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.560 -3.928 1.104 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.798 -3.695 1.014 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.490 -4.783 2.240 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.131 0.137 4.850 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.414 0.707 5.344 1.00 6.26 C ATOM 1117 C VAL A 70 -8.389 0.906 4.244 1.00 9.22 C ATOM 1118 O VAL A 70 -8.054 1.496 3.218 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.127 2.024 5.950 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.390 2.595 6.650 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.013 1.995 7.052 1.00 8.54 C ATOM 0 H VAL A 70 -5.632 0.793 4.249 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.846 0.011 6.063 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.793 2.635 5.112 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.156 3.565 7.089 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.190 2.711 5.919 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.712 1.910 7.434 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.864 3.001 7.445 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.318 1.331 7.861 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.081 1.633 6.618 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.617 0.440 4.319 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.618 0.571 3.295 1.00 16.06 C ATOM 1133 C LEU A 71 -11.337 1.877 3.454 1.00 18.09 C ATOM 1134 O LEU A 71 -11.627 2.243 4.589 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.703 -0.567 3.457 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.319 -1.911 2.777 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.970 -1.668 1.333 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.268 -2.681 3.540 1.00 19.57 C ATOM 0 H LEU A 71 -9.956 -0.065 5.138 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.123 0.508 2.326 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.872 -0.745 4.519 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.647 -0.217 3.038 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.188 -2.569 2.798 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.701 -2.612 0.860 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.829 -1.236 0.819 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.127 -0.980 1.273 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.043 -3.609 3.014 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.362 -2.080 3.618 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.639 -2.911 4.539 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.665 2.557 2.365 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.313 3.859 2.405 1.00 25.83 C ATOM 1152 C ARG A 72 -13.554 3.726 1.466 1.00 27.74 C ATOM 1153 O ARG A 72 -13.421 3.578 0.212 1.00 30.65 O ATOM 1154 CB ARG A 72 -11.262 4.839 1.880 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.753 6.308 1.709 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.507 7.177 1.492 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.978 8.609 1.473 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.315 9.605 0.912 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.311 9.364 0.105 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -10.749 10.850 1.028 1.00 35.02 N ATOM 0 H ARG A 72 -11.487 2.217 1.420 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.653 4.201 3.383 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.411 4.834 2.561 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.901 4.479 0.917 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.433 6.391 0.861 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -12.303 6.636 2.591 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.781 7.019 2.289 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.013 6.919 0.555 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.868 8.823 1.923 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.036 8.402 -0.094 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -8.804 10.138 -0.324 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.601 11.046 1.553 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.231 11.613 0.592 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.735 3.781 2.102 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.941 3.322 1.480 1.00 30.76 C ATOM 1176 C LEU A 73 -17.106 4.220 1.846 1.00 32.18 C ATOM 1177 O LEU A 73 -17.063 4.930 2.832 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.338 1.944 1.921 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.340 0.776 1.704 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.739 -0.507 2.515 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.359 0.301 0.253 1.00 29.11 C ATOM 0 H LEU A 73 -14.858 4.143 3.048 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.730 3.328 0.411 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.566 1.991 2.986 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.265 1.687 1.408 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.375 1.175 2.016 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.010 -1.296 2.330 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.758 -0.273 3.579 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -16.726 -0.844 2.200 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.650 -0.518 0.129 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.361 -0.044 -0.004 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.079 1.125 -0.403 1.00 29.11 H new ATOM 1193 N ARG A 74 -18.132 4.328 1.014 1.00 33.82 N ATOM 1194 CA ARG A 74 -19.327 5.146 1.330 1.00 35.33 C ATOM 1195 C ARG A 74 -20.165 4.578 2.495 1.00 36.22 C ATOM 1196 O ARG A 74 -20.571 5.289 3.414 1.00 36.70 O ATOM 1197 CB ARG A 74 -20.273 5.469 0.140 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.533 6.127 -1.069 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.820 7.477 -0.854 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.238 7.906 -2.125 1.00 41.13 N ATOM 1201 CZ ARG A 74 -17.497 8.972 -2.483 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.170 9.934 -1.666 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.054 8.991 -3.753 1.00 41.93 N ATOM 0 H ARG A 74 -18.174 3.863 0.107 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.869 6.090 1.627 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.755 4.550 -0.193 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -21.063 6.137 0.482 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.791 5.415 -1.430 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.261 6.261 -1.869 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -19.526 8.224 -0.490 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.043 7.378 -0.097 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.433 7.269 -2.897 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.479 9.905 -0.694 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -16.606 10.716 -1.999 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.284 8.224 -4.385 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.488 9.772 -4.084 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.315 3.260 2.519 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.969 2.596 3.686 1.00 36.07 C ATOM 1219 C GLY A 75 -20.131 2.450 4.978 1.00 36.16 C ATOM 1220 O GLY A 75 -20.641 1.916 6.025 1.00 36.26 O ATOM 0 H GLY A 75 -20.010 2.629 1.778 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.872 3.156 3.931 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.285 1.601 3.374 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.882 2.881 4.893 1.00 36.05 N ATOM 1225 CA GLY A 76 -18.009 2.952 6.044 1.00 36.19 C ATOM 1226 C GLY A 76 -17.174 1.640 6.148 1.00 36.20 C ATOM 1227 O GLY A 76 -16.079 1.605 5.550 1.00 0.00 O ATOM 1228 OXT GLY A 76 -17.547 0.718 6.921 1.00 0.00 O ATOM 0 H GLY A 76 -18.449 3.190 4.023 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.345 3.812 5.957 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -18.597 3.094 6.951 1.00 36.19 H new TER 1232 GLY A 76