USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 703 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 65 THR OG1 : rot 116:sc= 0.38 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.752 X(o=-0.37,f=-0.7) USER MOD Set 2.1: A 48 LYS NZ :NH3+ -141:sc= 0.609 (180deg=0.067) USER MOD Set 2.2: A 59 SER OG : rot 41:sc= -0.676 USER MOD Set 3.1: A 38 HIS :FLIP no HE2:sc= -3.6 F(o=-4.6!,f=-3.5) USER MOD Set 3.2: A 72 THR OG1 : rot 151:sc= 0.134 USER MOD Set 4.1: A 18 LYS NZ :NH3+ 159:sc= -0.553 (180deg=-0.866) USER MOD Set 4.2: A 20 MET CE :methyl -166:sc= 0 (180deg=0) USER MOD Set 4.3: A 57 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 143:sc= 0.25 (180deg=-0.0364) USER MOD Single : A 3 THR OG1 : rot -78:sc= 0.0061 USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= 0.00307 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 165:sc= 0.107 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0.091) USER MOD Single : A 43 TYR OH : rot 165:sc= -0.421 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -126:sc= 0.734 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.31) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.018) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -2.67 K(o=-2.7,f=-6.2!) USER MOD Single : A 74 TYR OH : rot -118:sc= 0.135 USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.216) USER MOD Single : A 85 MET CE :methyl -147:sc= 0 (180deg=-0.0348) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.566 23.247 -25.379 1.00 0.65 N ATOM 2 CA MET A 1 12.798 22.720 -23.999 1.00 0.48 C ATOM 3 C MET A 1 12.994 21.200 -24.042 1.00 0.39 C ATOM 4 O MET A 1 14.059 20.702 -23.727 1.00 0.41 O ATOM 5 CB MET A 1 11.533 23.080 -23.209 1.00 0.50 C ATOM 6 CG MET A 1 11.865 24.141 -22.156 1.00 0.63 C ATOM 7 SD MET A 1 10.327 24.831 -21.489 1.00 1.44 S ATOM 8 CE MET A 1 10.856 24.949 -19.762 1.00 1.77 C ATOM 0 H1 MET A 1 12.434 24.278 -25.339 1.00 0.65 H new ATOM 0 H2 MET A 1 13.387 23.026 -25.978 1.00 0.65 H new ATOM 0 H3 MET A 1 11.715 22.805 -25.781 1.00 0.65 H new ATOM 0 HA MET A 1 13.692 23.144 -23.542 1.00 0.48 H new ATOM 0 HB2 MET A 1 10.764 23.454 -23.886 1.00 0.50 H new ATOM 0 HB3 MET A 1 11.128 22.190 -22.727 1.00 0.50 H new ATOM 0 HG2 MET A 1 12.456 23.700 -21.354 1.00 0.63 H new ATOM 0 HG3 MET A 1 12.469 24.932 -22.599 1.00 0.63 H new ATOM 0 HE1 MET A 1 10.045 25.358 -19.160 1.00 1.77 H new ATOM 0 HE2 MET A 1 11.117 23.957 -19.393 1.00 1.77 H new ATOM 0 HE3 MET A 1 11.725 25.603 -19.692 1.00 1.77 H new ATOM 18 N LYS A 2 11.972 20.469 -24.437 1.00 0.37 N ATOM 19 CA LYS A 2 12.062 18.971 -24.518 1.00 0.39 C ATOM 20 C LYS A 2 12.267 18.352 -23.127 1.00 0.37 C ATOM 21 O LYS A 2 12.943 18.903 -22.280 1.00 0.51 O ATOM 22 CB LYS A 2 13.265 18.680 -25.425 1.00 0.46 C ATOM 23 CG LYS A 2 12.941 17.498 -26.342 1.00 0.56 C ATOM 24 CD LYS A 2 13.648 16.240 -25.833 1.00 0.51 C ATOM 25 CE LYS A 2 13.003 14.996 -26.458 1.00 0.67 C ATOM 26 NZ LYS A 2 12.475 14.208 -25.308 1.00 0.78 N ATOM 0 H LYS A 2 11.067 20.853 -24.710 1.00 0.37 H new ATOM 0 HA LYS A 2 11.143 18.538 -24.913 1.00 0.39 H new ATOM 0 HB2 LYS A 2 13.506 19.560 -26.021 1.00 0.46 H new ATOM 0 HB3 LYS A 2 14.143 18.454 -24.820 1.00 0.46 H new ATOM 0 HG2 LYS A 2 11.864 17.334 -26.373 1.00 0.56 H new ATOM 0 HG3 LYS A 2 13.259 17.718 -27.361 1.00 0.56 H new ATOM 0 HD2 LYS A 2 14.707 16.279 -26.087 1.00 0.51 H new ATOM 0 HD3 LYS A 2 13.582 16.189 -24.746 1.00 0.51 H new ATOM 0 HE2 LYS A 2 12.204 15.271 -27.147 1.00 0.67 H new ATOM 0 HE3 LYS A 2 13.731 14.420 -27.029 1.00 0.67 H new ATOM 0 HZ1 LYS A 2 11.572 13.766 -25.575 1.00 0.78 H new ATOM 0 HZ2 LYS A 2 13.160 13.469 -25.050 1.00 0.78 H new ATOM 0 HZ3 LYS A 2 12.324 14.839 -24.495 1.00 0.78 H new ATOM 40 N THR A 3 11.682 17.203 -22.888 1.00 0.32 N ATOM 41 CA THR A 3 11.838 16.542 -21.556 1.00 0.34 C ATOM 42 C THR A 3 12.033 15.029 -21.730 1.00 0.31 C ATOM 43 O THR A 3 13.060 14.488 -21.371 1.00 0.37 O ATOM 44 CB THR A 3 10.536 16.848 -20.802 1.00 0.38 C ATOM 45 OG1 THR A 3 10.485 18.237 -20.499 1.00 0.51 O ATOM 46 CG2 THR A 3 10.483 16.043 -19.500 1.00 0.42 C ATOM 0 H THR A 3 11.104 16.695 -23.558 1.00 0.32 H new ATOM 0 HA THR A 3 12.711 16.906 -21.013 1.00 0.34 H new ATOM 0 HB THR A 3 9.686 16.573 -21.427 1.00 0.38 H new ATOM 0 HG1 THR A 3 11.060 18.425 -19.728 1.00 0.51 H new ATOM 0 HG21 THR A 3 9.556 16.266 -18.972 1.00 0.42 H new ATOM 0 HG22 THR A 3 10.523 14.978 -19.729 1.00 0.42 H new ATOM 0 HG23 THR A 3 11.332 16.311 -18.872 1.00 0.42 H new ATOM 54 N LYS A 4 11.054 14.343 -22.272 1.00 0.29 N ATOM 55 CA LYS A 4 11.185 12.864 -22.459 1.00 0.31 C ATOM 56 C LYS A 4 10.398 12.400 -23.695 1.00 0.34 C ATOM 57 O LYS A 4 9.380 12.967 -24.044 1.00 0.45 O ATOM 58 CB LYS A 4 10.610 12.243 -21.175 1.00 0.32 C ATOM 59 CG LYS A 4 9.145 12.658 -20.988 1.00 0.35 C ATOM 60 CD LYS A 4 8.235 11.462 -21.272 1.00 0.39 C ATOM 61 CE LYS A 4 6.822 11.959 -21.593 1.00 0.51 C ATOM 62 NZ LYS A 4 6.095 10.761 -22.102 1.00 0.88 N ATOM 0 H LYS A 4 10.172 14.743 -22.592 1.00 0.29 H new ATOM 0 HA LYS A 4 12.220 12.564 -22.625 1.00 0.31 H new ATOM 0 HB2 LYS A 4 10.683 11.157 -21.225 1.00 0.32 H new ATOM 0 HB3 LYS A 4 11.198 12.563 -20.314 1.00 0.32 H new ATOM 0 HG2 LYS A 4 8.985 13.017 -19.971 1.00 0.35 H new ATOM 0 HG3 LYS A 4 8.901 13.482 -21.659 1.00 0.35 H new ATOM 0 HD2 LYS A 4 8.627 10.884 -22.109 1.00 0.39 H new ATOM 0 HD3 LYS A 4 8.211 10.797 -20.409 1.00 0.39 H new ATOM 0 HE2 LYS A 4 6.337 12.367 -20.706 1.00 0.51 H new ATOM 0 HE3 LYS A 4 6.844 12.753 -22.339 1.00 0.51 H new ATOM 0 HZ1 LYS A 4 5.219 11.062 -22.575 1.00 0.88 H new ATOM 0 HZ2 LYS A 4 6.697 10.251 -22.780 1.00 0.88 H new ATOM 0 HZ3 LYS A 4 5.861 10.133 -21.307 1.00 0.88 H new ATOM 76 N LEU A 5 10.868 11.369 -24.356 1.00 0.38 N ATOM 77 CA LEU A 5 10.156 10.861 -25.571 1.00 0.43 C ATOM 78 C LEU A 5 9.050 9.871 -25.167 1.00 0.45 C ATOM 79 O LEU A 5 8.673 9.792 -24.014 1.00 0.46 O ATOM 80 CB LEU A 5 11.240 10.167 -26.404 1.00 0.52 C ATOM 81 CG LEU A 5 11.516 10.987 -27.668 1.00 0.70 C ATOM 82 CD1 LEU A 5 13.000 10.891 -28.026 1.00 0.88 C ATOM 83 CD2 LEU A 5 10.678 10.440 -28.826 1.00 1.16 C ATOM 0 H LEU A 5 11.714 10.857 -24.106 1.00 0.38 H new ATOM 0 HA LEU A 5 9.667 11.659 -26.130 1.00 0.43 H new ATOM 0 HB2 LEU A 5 12.153 10.064 -25.818 1.00 0.52 H new ATOM 0 HB3 LEU A 5 10.918 9.161 -26.673 1.00 0.52 H new ATOM 0 HG LEU A 5 11.252 12.029 -27.488 1.00 0.70 H new ATOM 0 HD11 LEU A 5 13.196 11.475 -28.926 1.00 0.88 H new ATOM 0 HD12 LEU A 5 13.599 11.281 -27.203 1.00 0.88 H new ATOM 0 HD13 LEU A 5 13.264 9.849 -28.205 1.00 0.88 H new ATOM 0 HD21 LEU A 5 10.875 11.024 -29.725 1.00 1.16 H new ATOM 0 HD22 LEU A 5 10.942 9.398 -29.005 1.00 1.16 H new ATOM 0 HD23 LEU A 5 9.620 10.508 -28.573 1.00 1.16 H new ATOM 95 N ASN A 6 8.524 9.121 -26.110 1.00 0.53 N ATOM 96 CA ASN A 6 7.438 8.140 -25.784 1.00 0.60 C ATOM 97 C ASN A 6 7.931 7.115 -24.752 1.00 0.58 C ATOM 98 O ASN A 6 8.857 6.366 -25.001 1.00 0.65 O ATOM 99 CB ASN A 6 7.104 7.451 -27.113 1.00 0.71 C ATOM 100 CG ASN A 6 5.760 7.971 -27.637 1.00 1.19 C ATOM 101 OD1 ASN A 6 4.718 7.452 -27.291 1.00 1.67 O ATOM 102 ND2 ASN A 6 5.742 8.982 -28.462 1.00 1.65 N ATOM 0 H ASN A 6 8.801 9.147 -27.091 1.00 0.53 H new ATOM 0 HA ASN A 6 6.565 8.628 -25.350 1.00 0.60 H new ATOM 0 HB2 ASN A 6 7.890 7.645 -27.843 1.00 0.71 H new ATOM 0 HB3 ASN A 6 7.058 6.371 -26.973 1.00 0.71 H new ATOM 0 HD21 ASN A 6 4.853 9.336 -28.816 1.00 1.65 H new ATOM 0 HD22 ASN A 6 6.617 9.418 -28.753 1.00 1.65 H new ATOM 109 N GLU A 7 7.317 7.089 -23.594 1.00 0.56 N ATOM 110 CA GLU A 7 7.741 6.125 -22.530 1.00 0.55 C ATOM 111 C GLU A 7 6.602 5.891 -21.528 1.00 0.60 C ATOM 112 O GLU A 7 5.745 6.736 -21.340 1.00 0.67 O ATOM 113 CB GLU A 7 8.942 6.786 -21.838 1.00 0.50 C ATOM 114 CG GLU A 7 8.566 8.192 -21.348 1.00 0.45 C ATOM 115 CD GLU A 7 8.567 8.224 -19.818 1.00 0.45 C ATOM 116 OE1 GLU A 7 9.615 8.487 -19.250 1.00 0.45 O ATOM 117 OE2 GLU A 7 7.519 7.987 -19.240 1.00 0.52 O ATOM 0 H GLU A 7 6.538 7.696 -23.339 1.00 0.56 H new ATOM 0 HA GLU A 7 7.998 5.150 -22.945 1.00 0.55 H new ATOM 0 HB2 GLU A 7 9.267 6.175 -20.996 1.00 0.50 H new ATOM 0 HB3 GLU A 7 9.781 6.847 -22.531 1.00 0.50 H new ATOM 0 HG2 GLU A 7 9.274 8.924 -21.737 1.00 0.45 H new ATOM 0 HG3 GLU A 7 7.582 8.468 -21.726 1.00 0.45 H new ATOM 124 N LEU A 8 6.593 4.750 -20.884 1.00 0.62 N ATOM 125 CA LEU A 8 5.518 4.449 -19.889 1.00 0.68 C ATOM 126 C LEU A 8 6.132 4.192 -18.505 1.00 0.64 C ATOM 127 O LEU A 8 5.680 3.338 -17.763 1.00 0.75 O ATOM 128 CB LEU A 8 4.826 3.187 -20.425 1.00 0.79 C ATOM 129 CG LEU A 8 3.332 3.460 -20.654 1.00 0.90 C ATOM 130 CD1 LEU A 8 2.667 3.866 -19.335 1.00 0.95 C ATOM 131 CD2 LEU A 8 3.165 4.586 -21.679 1.00 0.94 C ATOM 0 H LEU A 8 7.286 4.012 -21.005 1.00 0.62 H new ATOM 0 HA LEU A 8 4.817 5.275 -19.770 1.00 0.68 H new ATOM 0 HB2 LEU A 8 5.294 2.875 -21.359 1.00 0.79 H new ATOM 0 HB3 LEU A 8 4.949 2.367 -19.717 1.00 0.79 H new ATOM 0 HG LEU A 8 2.858 2.553 -21.030 1.00 0.90 H new ATOM 0 HD11 LEU A 8 1.608 4.058 -19.506 1.00 0.95 H new ATOM 0 HD12 LEU A 8 2.778 3.061 -18.609 1.00 0.95 H new ATOM 0 HD13 LEU A 8 3.142 4.769 -18.951 1.00 0.95 H new ATOM 0 HD21 LEU A 8 2.104 4.778 -21.840 1.00 0.94 H new ATOM 0 HD22 LEU A 8 3.645 5.491 -21.307 1.00 0.94 H new ATOM 0 HD23 LEU A 8 3.627 4.292 -22.621 1.00 0.94 H new ATOM 143 N LEU A 9 7.157 4.930 -18.149 1.00 0.55 N ATOM 144 CA LEU A 9 7.801 4.735 -16.813 1.00 0.53 C ATOM 145 C LEU A 9 7.905 6.077 -16.080 1.00 0.45 C ATOM 146 O LEU A 9 7.320 6.262 -15.030 1.00 0.49 O ATOM 147 CB LEU A 9 9.194 4.174 -17.114 1.00 0.53 C ATOM 148 CG LEU A 9 9.075 2.721 -17.582 1.00 0.65 C ATOM 149 CD1 LEU A 9 9.332 2.644 -19.089 1.00 0.73 C ATOM 150 CD2 LEU A 9 10.105 1.862 -16.843 1.00 0.73 C ATOM 0 H LEU A 9 7.575 5.659 -18.727 1.00 0.55 H new ATOM 0 HA LEU A 9 7.228 4.065 -16.172 1.00 0.53 H new ATOM 0 HB2 LEU A 9 9.680 4.775 -17.882 1.00 0.53 H new ATOM 0 HB3 LEU A 9 9.819 4.229 -16.223 1.00 0.53 H new ATOM 0 HG LEU A 9 8.072 2.352 -17.368 1.00 0.65 H new ATOM 0 HD11 LEU A 9 9.247 1.609 -19.420 1.00 0.73 H new ATOM 0 HD12 LEU A 9 8.598 3.255 -19.615 1.00 0.73 H new ATOM 0 HD13 LEU A 9 10.334 3.013 -19.307 1.00 0.73 H new ATOM 0 HD21 LEU A 9 10.021 0.827 -17.175 1.00 0.73 H new ATOM 0 HD22 LEU A 9 11.108 2.232 -17.057 1.00 0.73 H new ATOM 0 HD23 LEU A 9 9.920 1.915 -15.770 1.00 0.73 H new ATOM 162 N GLU A 10 8.645 7.014 -16.633 1.00 0.38 N ATOM 163 CA GLU A 10 8.800 8.359 -15.989 1.00 0.35 C ATOM 164 C GLU A 10 9.318 8.218 -14.550 1.00 0.33 C ATOM 165 O GLU A 10 8.747 8.756 -13.618 1.00 0.39 O ATOM 166 CB GLU A 10 7.397 8.982 -16.012 1.00 0.43 C ATOM 167 CG GLU A 10 7.510 10.503 -16.156 1.00 0.46 C ATOM 168 CD GLU A 10 7.831 10.863 -17.610 1.00 0.47 C ATOM 169 OE1 GLU A 10 6.911 10.893 -18.409 1.00 0.59 O ATOM 170 OE2 GLU A 10 8.994 11.103 -17.897 1.00 0.46 O ATOM 0 H GLU A 10 9.152 6.901 -17.511 1.00 0.38 H new ATOM 0 HA GLU A 10 9.525 8.981 -16.514 1.00 0.35 H new ATOM 0 HB2 GLU A 10 6.819 8.571 -16.840 1.00 0.43 H new ATOM 0 HB3 GLU A 10 6.863 8.732 -15.095 1.00 0.43 H new ATOM 0 HG2 GLU A 10 6.577 10.977 -15.852 1.00 0.46 H new ATOM 0 HG3 GLU A 10 8.290 10.883 -15.497 1.00 0.46 H new ATOM 177 N PHE A 11 10.404 7.507 -14.365 1.00 0.30 N ATOM 178 CA PHE A 11 10.970 7.338 -12.994 1.00 0.30 C ATOM 179 C PHE A 11 12.072 8.381 -12.761 1.00 0.26 C ATOM 180 O PHE A 11 13.112 8.329 -13.392 1.00 0.24 O ATOM 181 CB PHE A 11 11.549 5.919 -12.969 1.00 0.35 C ATOM 182 CG PHE A 11 12.033 5.593 -11.575 1.00 0.43 C ATOM 183 CD1 PHE A 11 11.121 5.181 -10.595 1.00 0.70 C ATOM 184 CD2 PHE A 11 13.393 5.704 -11.263 1.00 0.58 C ATOM 185 CE1 PHE A 11 11.571 4.880 -9.305 1.00 0.85 C ATOM 186 CE2 PHE A 11 13.842 5.403 -9.973 1.00 0.74 C ATOM 187 CZ PHE A 11 12.931 4.991 -8.993 1.00 0.80 C ATOM 0 H PHE A 11 10.922 7.036 -15.107 1.00 0.30 H new ATOM 0 HA PHE A 11 10.223 7.477 -12.212 1.00 0.30 H new ATOM 0 HB2 PHE A 11 10.790 5.200 -13.279 1.00 0.35 H new ATOM 0 HB3 PHE A 11 12.372 5.839 -13.679 1.00 0.35 H new ATOM 0 HD1 PHE A 11 10.071 5.096 -10.835 1.00 0.70 H new ATOM 0 HD2 PHE A 11 14.096 6.022 -12.019 1.00 0.58 H new ATOM 0 HE1 PHE A 11 10.868 4.562 -8.549 1.00 0.85 H new ATOM 0 HE2 PHE A 11 14.892 5.488 -9.733 1.00 0.74 H new ATOM 0 HZ PHE A 11 13.277 4.759 -7.997 1.00 0.80 H new ATOM 197 N PRO A 12 11.802 9.303 -11.864 1.00 0.28 N ATOM 198 CA PRO A 12 12.780 10.379 -11.556 1.00 0.27 C ATOM 199 C PRO A 12 13.986 9.810 -10.801 1.00 0.27 C ATOM 200 O PRO A 12 13.892 9.438 -9.646 1.00 0.33 O ATOM 201 CB PRO A 12 11.986 11.349 -10.685 1.00 0.33 C ATOM 202 CG PRO A 12 10.902 10.522 -10.074 1.00 0.36 C ATOM 203 CD PRO A 12 10.578 9.430 -11.060 1.00 0.34 C ATOM 0 HA PRO A 12 13.187 10.857 -12.447 1.00 0.27 H new ATOM 0 HB2 PRO A 12 12.618 11.800 -9.919 1.00 0.33 H new ATOM 0 HB3 PRO A 12 11.573 12.165 -11.278 1.00 0.33 H new ATOM 0 HG2 PRO A 12 11.227 10.100 -9.123 1.00 0.36 H new ATOM 0 HG3 PRO A 12 10.021 11.130 -9.868 1.00 0.36 H new ATOM 0 HD2 PRO A 12 10.333 8.496 -10.555 1.00 0.34 H new ATOM 0 HD3 PRO A 12 9.720 9.692 -11.678 1.00 0.34 H new ATOM 211 N THR A 13 15.118 9.742 -11.455 1.00 0.23 N ATOM 212 CA THR A 13 16.342 9.199 -10.791 1.00 0.24 C ATOM 213 C THR A 13 17.510 10.186 -10.944 1.00 0.23 C ATOM 214 O THR A 13 17.656 10.817 -11.974 1.00 0.23 O ATOM 215 CB THR A 13 16.641 7.870 -11.504 1.00 0.25 C ATOM 216 OG1 THR A 13 17.858 7.330 -11.004 1.00 0.34 O ATOM 217 CG2 THR A 13 16.766 8.089 -13.015 1.00 0.26 C ATOM 0 H THR A 13 15.248 10.040 -12.422 1.00 0.23 H new ATOM 0 HA THR A 13 16.198 9.049 -9.721 1.00 0.24 H new ATOM 0 HB THR A 13 15.821 7.177 -11.315 1.00 0.25 H new ATOM 0 HG1 THR A 13 18.050 6.482 -11.456 1.00 0.34 H new ATOM 0 HG21 THR A 13 16.978 7.138 -13.504 1.00 0.26 H new ATOM 0 HG22 THR A 13 15.832 8.496 -13.402 1.00 0.26 H new ATOM 0 HG23 THR A 13 17.577 8.789 -13.215 1.00 0.26 H new ATOM 225 N PRO A 14 18.305 10.287 -9.903 1.00 0.26 N ATOM 226 CA PRO A 14 19.471 11.209 -9.919 1.00 0.26 C ATOM 227 C PRO A 14 20.578 10.665 -10.832 1.00 0.24 C ATOM 228 O PRO A 14 20.974 9.519 -10.731 1.00 0.31 O ATOM 229 CB PRO A 14 19.928 11.235 -8.462 1.00 0.33 C ATOM 230 CG PRO A 14 19.445 9.946 -7.879 1.00 0.37 C ATOM 231 CD PRO A 14 18.195 9.563 -8.628 1.00 0.33 C ATOM 0 HA PRO A 14 19.227 12.200 -10.302 1.00 0.26 H new ATOM 0 HB2 PRO A 14 21.012 11.318 -8.390 1.00 0.33 H new ATOM 0 HB3 PRO A 14 19.507 12.090 -7.932 1.00 0.33 H new ATOM 0 HG2 PRO A 14 20.205 9.171 -7.976 1.00 0.37 H new ATOM 0 HG3 PRO A 14 19.238 10.058 -6.815 1.00 0.37 H new ATOM 0 HD2 PRO A 14 18.139 8.486 -8.785 1.00 0.33 H new ATOM 0 HD3 PRO A 14 17.298 9.853 -8.081 1.00 0.33 H new ATOM 239 N PHE A 15 21.076 11.487 -11.722 1.00 0.23 N ATOM 240 CA PHE A 15 22.157 11.040 -12.650 1.00 0.24 C ATOM 241 C PHE A 15 23.465 11.769 -12.322 1.00 0.25 C ATOM 242 O PHE A 15 23.662 12.907 -12.707 1.00 0.27 O ATOM 243 CB PHE A 15 21.675 11.426 -14.053 1.00 0.23 C ATOM 244 CG PHE A 15 20.662 10.423 -14.557 1.00 0.23 C ATOM 245 CD1 PHE A 15 21.036 9.091 -14.772 1.00 0.32 C ATOM 246 CD2 PHE A 15 19.349 10.830 -14.822 1.00 0.23 C ATOM 247 CE1 PHE A 15 20.098 8.168 -15.249 1.00 0.36 C ATOM 248 CE2 PHE A 15 18.411 9.909 -15.301 1.00 0.26 C ATOM 249 CZ PHE A 15 18.785 8.577 -15.514 1.00 0.30 C ATOM 0 H PHE A 15 20.777 12.454 -11.845 1.00 0.23 H new ATOM 0 HA PHE A 15 22.350 9.970 -12.567 1.00 0.24 H new ATOM 0 HB2 PHE A 15 21.231 12.421 -14.031 1.00 0.23 H new ATOM 0 HB3 PHE A 15 22.523 11.471 -14.736 1.00 0.23 H new ATOM 0 HD1 PHE A 15 22.049 8.775 -14.570 1.00 0.32 H new ATOM 0 HD2 PHE A 15 19.059 11.857 -14.656 1.00 0.23 H new ATOM 0 HE1 PHE A 15 20.387 7.140 -15.413 1.00 0.36 H new ATOM 0 HE2 PHE A 15 17.399 10.226 -15.506 1.00 0.26 H new ATOM 0 HZ PHE A 15 18.061 7.865 -15.883 1.00 0.30 H new ATOM 259 N THR A 16 24.365 11.117 -11.626 1.00 0.27 N ATOM 260 CA THR A 16 25.670 11.770 -11.290 1.00 0.29 C ATOM 261 C THR A 16 26.525 11.826 -12.557 1.00 0.26 C ATOM 262 O THR A 16 27.219 10.883 -12.887 1.00 0.28 O ATOM 263 CB THR A 16 26.321 10.868 -10.231 1.00 0.36 C ATOM 264 OG1 THR A 16 25.374 10.567 -9.213 1.00 0.40 O ATOM 265 CG2 THR A 16 27.521 11.588 -9.612 1.00 0.43 C ATOM 0 H THR A 16 24.254 10.165 -11.277 1.00 0.27 H new ATOM 0 HA THR A 16 25.555 12.787 -10.916 1.00 0.29 H new ATOM 0 HB THR A 16 26.655 9.943 -10.702 1.00 0.36 H new ATOM 0 HG1 THR A 16 25.790 9.990 -8.539 1.00 0.40 H new ATOM 0 HG21 THR A 16 27.982 10.947 -8.861 1.00 0.43 H new ATOM 0 HG22 THR A 16 28.249 11.817 -10.390 1.00 0.43 H new ATOM 0 HG23 THR A 16 27.188 12.514 -9.144 1.00 0.43 H new ATOM 273 N TYR A 17 26.455 12.911 -13.286 1.00 0.24 N ATOM 274 CA TYR A 17 27.236 13.012 -14.552 1.00 0.22 C ATOM 275 C TYR A 17 28.466 13.904 -14.364 1.00 0.22 C ATOM 276 O TYR A 17 28.374 15.116 -14.354 1.00 0.26 O ATOM 277 CB TYR A 17 26.256 13.614 -15.567 1.00 0.22 C ATOM 278 CG TYR A 17 25.520 12.502 -16.287 1.00 0.22 C ATOM 279 CD1 TYR A 17 24.961 11.436 -15.563 1.00 0.25 C ATOM 280 CD2 TYR A 17 25.401 12.534 -17.680 1.00 0.26 C ATOM 281 CE1 TYR A 17 24.288 10.410 -16.234 1.00 0.27 C ATOM 282 CE2 TYR A 17 24.726 11.506 -18.352 1.00 0.29 C ATOM 283 CZ TYR A 17 24.170 10.444 -17.629 1.00 0.28 C ATOM 284 OH TYR A 17 23.507 9.431 -18.290 1.00 0.35 O ATOM 0 H TYR A 17 25.891 13.730 -13.058 1.00 0.24 H new ATOM 0 HA TYR A 17 27.618 12.046 -14.882 1.00 0.22 H new ATOM 0 HB2 TYR A 17 25.544 14.264 -15.058 1.00 0.22 H new ATOM 0 HB3 TYR A 17 26.795 14.231 -16.286 1.00 0.22 H new ATOM 0 HD1 TYR A 17 25.051 11.409 -14.487 1.00 0.25 H new ATOM 0 HD2 TYR A 17 25.830 13.352 -18.239 1.00 0.26 H new ATOM 0 HE1 TYR A 17 23.859 9.591 -15.676 1.00 0.27 H new ATOM 0 HE2 TYR A 17 24.635 11.533 -19.428 1.00 0.29 H new ATOM 0 HH TYR A 17 23.305 9.715 -19.206 1.00 0.35 H new ATOM 294 N LYS A 18 29.619 13.301 -14.220 1.00 0.22 N ATOM 295 CA LYS A 18 30.868 14.096 -14.036 1.00 0.23 C ATOM 296 C LYS A 18 31.331 14.659 -15.384 1.00 0.21 C ATOM 297 O LYS A 18 32.110 14.042 -16.087 1.00 0.22 O ATOM 298 CB LYS A 18 31.897 13.102 -13.485 1.00 0.28 C ATOM 299 CG LYS A 18 32.166 13.406 -12.010 1.00 0.67 C ATOM 300 CD LYS A 18 33.637 13.127 -11.690 1.00 0.55 C ATOM 301 CE LYS A 18 34.266 14.370 -11.045 1.00 0.72 C ATOM 302 NZ LYS A 18 34.674 15.242 -12.184 1.00 1.34 N ATOM 0 H LYS A 18 29.748 12.289 -14.222 1.00 0.22 H new ATOM 0 HA LYS A 18 30.726 14.944 -13.366 1.00 0.23 H new ATOM 0 HB2 LYS A 18 31.528 12.082 -13.595 1.00 0.28 H new ATOM 0 HB3 LYS A 18 32.824 13.169 -14.055 1.00 0.28 H new ATOM 0 HG2 LYS A 18 31.927 14.447 -11.793 1.00 0.67 H new ATOM 0 HG3 LYS A 18 31.523 12.793 -11.378 1.00 0.67 H new ATOM 0 HD2 LYS A 18 33.718 12.274 -11.016 1.00 0.55 H new ATOM 0 HD3 LYS A 18 34.175 12.865 -12.601 1.00 0.55 H new ATOM 0 HE2 LYS A 18 33.554 14.879 -10.396 1.00 0.72 H new ATOM 0 HE3 LYS A 18 35.124 14.102 -10.428 1.00 0.72 H new ATOM 0 HZ1 LYS A 18 34.774 16.222 -11.852 1.00 1.34 H new ATOM 0 HZ2 LYS A 18 35.583 14.911 -12.566 1.00 1.34 H new ATOM 0 HZ3 LYS A 18 33.950 15.201 -12.929 1.00 1.34 H new ATOM 316 N VAL A 19 30.869 15.830 -15.748 1.00 0.20 N ATOM 317 CA VAL A 19 31.308 16.419 -17.052 1.00 0.19 C ATOM 318 C VAL A 19 32.665 17.107 -16.869 1.00 0.18 C ATOM 319 O VAL A 19 32.774 18.138 -16.237 1.00 0.23 O ATOM 320 CB VAL A 19 30.223 17.420 -17.515 1.00 0.21 C ATOM 321 CG1 VAL A 19 29.099 16.660 -18.221 1.00 0.27 C ATOM 322 CG2 VAL A 19 29.630 18.201 -16.335 1.00 0.25 C ATOM 0 H VAL A 19 30.216 16.397 -15.208 1.00 0.20 H new ATOM 0 HA VAL A 19 31.428 15.647 -17.812 1.00 0.19 H new ATOM 0 HB VAL A 19 30.693 18.131 -18.194 1.00 0.21 H new ATOM 0 HG11 VAL A 19 28.333 17.364 -18.548 1.00 0.27 H new ATOM 0 HG12 VAL A 19 29.503 16.135 -19.087 1.00 0.27 H new ATOM 0 HG13 VAL A 19 28.659 15.939 -17.532 1.00 0.27 H new ATOM 0 HG21 VAL A 19 28.872 18.893 -16.701 1.00 0.25 H new ATOM 0 HG22 VAL A 19 29.176 17.505 -15.630 1.00 0.25 H new ATOM 0 HG23 VAL A 19 30.421 18.760 -15.835 1.00 0.25 H new ATOM 332 N MET A 20 33.705 16.519 -17.406 1.00 0.20 N ATOM 333 CA MET A 20 35.072 17.109 -17.260 1.00 0.21 C ATOM 334 C MET A 20 35.547 17.702 -18.590 1.00 0.25 C ATOM 335 O MET A 20 35.156 17.258 -19.651 1.00 0.35 O ATOM 336 CB MET A 20 35.965 15.933 -16.853 1.00 0.26 C ATOM 337 CG MET A 20 35.568 15.440 -15.460 1.00 0.32 C ATOM 338 SD MET A 20 35.456 13.634 -15.468 1.00 0.59 S ATOM 339 CE MET A 20 37.024 13.301 -14.628 1.00 0.96 C ATOM 0 H MET A 20 33.666 15.652 -17.942 1.00 0.20 H new ATOM 0 HA MET A 20 35.094 17.918 -16.529 1.00 0.21 H new ATOM 0 HB2 MET A 20 35.869 15.124 -17.577 1.00 0.26 H new ATOM 0 HB3 MET A 20 37.011 16.240 -16.856 1.00 0.26 H new ATOM 0 HG2 MET A 20 36.303 15.766 -14.724 1.00 0.32 H new ATOM 0 HG3 MET A 20 34.611 15.873 -15.168 1.00 0.32 H new ATOM 0 HE1 MET A 20 37.282 12.248 -14.743 1.00 0.96 H new ATOM 0 HE2 MET A 20 37.809 13.917 -15.066 1.00 0.96 H new ATOM 0 HE3 MET A 20 36.926 13.537 -13.568 1.00 0.96 H new ATOM 349 N GLY A 21 36.390 18.702 -18.538 1.00 0.28 N ATOM 350 CA GLY A 21 36.895 19.322 -19.800 1.00 0.34 C ATOM 351 C GLY A 21 37.826 20.489 -19.468 1.00 0.27 C ATOM 352 O GLY A 21 38.352 20.582 -18.375 1.00 0.30 O ATOM 0 H GLY A 21 36.750 19.115 -17.678 1.00 0.28 H new ATOM 0 HA2 GLY A 21 37.427 18.578 -20.394 1.00 0.34 H new ATOM 0 HA3 GLY A 21 36.058 19.673 -20.404 1.00 0.34 H new ATOM 356 N GLN A 22 38.033 21.381 -20.403 1.00 0.25 N ATOM 357 CA GLN A 22 38.934 22.550 -20.143 1.00 0.25 C ATOM 358 C GLN A 22 38.279 23.524 -19.155 1.00 0.26 C ATOM 359 O GLN A 22 37.176 23.302 -18.688 1.00 0.37 O ATOM 360 CB GLN A 22 39.129 23.219 -21.506 1.00 0.31 C ATOM 361 CG GLN A 22 40.074 22.374 -22.366 1.00 0.38 C ATOM 362 CD GLN A 22 41.460 23.022 -22.394 1.00 0.62 C ATOM 363 OE1 GLN A 22 42.392 22.514 -21.802 1.00 0.79 O ATOM 364 NE2 GLN A 22 41.639 24.129 -23.063 1.00 0.86 N ATOM 0 H GLN A 22 37.619 21.353 -21.335 1.00 0.25 H new ATOM 0 HA GLN A 22 39.882 22.243 -19.701 1.00 0.25 H new ATOM 0 HB2 GLN A 22 38.168 23.331 -22.008 1.00 0.31 H new ATOM 0 HB3 GLN A 22 39.539 24.220 -21.375 1.00 0.31 H new ATOM 0 HG2 GLN A 22 40.142 21.363 -21.964 1.00 0.38 H new ATOM 0 HG3 GLN A 22 39.681 22.288 -23.379 1.00 0.38 H new ATOM 0 HE21 GLN A 22 40.858 24.556 -23.560 1.00 0.86 H new ATOM 0 HE22 GLN A 22 42.560 24.566 -23.088 1.00 0.86 H new ATOM 373 N ALA A 23 38.952 24.602 -18.834 1.00 0.28 N ATOM 374 CA ALA A 23 38.373 25.595 -17.877 1.00 0.33 C ATOM 375 C ALA A 23 37.220 26.359 -18.542 1.00 0.34 C ATOM 376 O ALA A 23 37.434 27.282 -19.307 1.00 0.48 O ATOM 377 CB ALA A 23 39.525 26.544 -17.529 1.00 0.42 C ATOM 0 H ALA A 23 39.877 24.837 -19.194 1.00 0.28 H new ATOM 0 HA ALA A 23 37.965 25.118 -16.986 1.00 0.33 H new ATOM 0 HB1 ALA A 23 39.173 27.302 -16.829 1.00 0.42 H new ATOM 0 HB2 ALA A 23 40.338 25.978 -17.073 1.00 0.42 H new ATOM 0 HB3 ALA A 23 39.885 27.028 -18.437 1.00 0.42 H new ATOM 383 N LEU A 24 36.001 25.973 -18.259 1.00 0.32 N ATOM 384 CA LEU A 24 34.825 26.664 -18.871 1.00 0.36 C ATOM 385 C LEU A 24 33.899 27.199 -17.767 1.00 0.31 C ATOM 386 O LEU A 24 33.236 26.432 -17.096 1.00 0.34 O ATOM 387 CB LEU A 24 34.114 25.583 -19.698 1.00 0.48 C ATOM 388 CG LEU A 24 34.083 25.978 -21.181 1.00 0.68 C ATOM 389 CD1 LEU A 24 33.374 27.326 -21.345 1.00 0.85 C ATOM 390 CD2 LEU A 24 35.515 26.082 -21.720 1.00 0.90 C ATOM 0 H LEU A 24 35.769 25.206 -17.628 1.00 0.32 H new ATOM 0 HA LEU A 24 35.116 27.517 -19.485 1.00 0.36 H new ATOM 0 HB2 LEU A 24 34.628 24.629 -19.580 1.00 0.48 H new ATOM 0 HB3 LEU A 24 33.097 25.445 -19.330 1.00 0.48 H new ATOM 0 HG LEU A 24 33.541 25.216 -21.741 1.00 0.68 H new ATOM 0 HD11 LEU A 24 33.355 27.601 -22.400 1.00 0.85 H new ATOM 0 HD12 LEU A 24 32.353 27.248 -20.972 1.00 0.85 H new ATOM 0 HD13 LEU A 24 33.909 28.090 -20.780 1.00 0.85 H new ATOM 0 HD21 LEU A 24 35.488 26.363 -22.773 1.00 0.90 H new ATOM 0 HD22 LEU A 24 36.062 26.838 -21.157 1.00 0.90 H new ATOM 0 HD23 LEU A 24 36.015 25.119 -21.614 1.00 0.90 H new ATOM 402 N PRO A 25 33.887 28.504 -17.612 1.00 0.38 N ATOM 403 CA PRO A 25 33.031 29.145 -16.573 1.00 0.46 C ATOM 404 C PRO A 25 31.536 29.042 -16.928 1.00 0.43 C ATOM 405 O PRO A 25 30.683 29.250 -16.086 1.00 0.49 O ATOM 406 CB PRO A 25 33.494 30.602 -16.580 1.00 0.62 C ATOM 407 CG PRO A 25 34.073 30.816 -17.941 1.00 0.63 C ATOM 408 CD PRO A 25 34.653 29.498 -18.379 1.00 0.52 C ATOM 0 HA PRO A 25 33.129 28.668 -15.598 1.00 0.46 H new ATOM 0 HB2 PRO A 25 32.662 31.282 -16.393 1.00 0.62 H new ATOM 0 HB3 PRO A 25 34.236 30.784 -15.802 1.00 0.62 H new ATOM 0 HG2 PRO A 25 33.306 31.152 -18.639 1.00 0.63 H new ATOM 0 HG3 PRO A 25 34.842 31.588 -17.917 1.00 0.63 H new ATOM 0 HD2 PRO A 25 34.540 29.348 -19.453 1.00 0.52 H new ATOM 0 HD3 PRO A 25 35.719 29.438 -18.159 1.00 0.52 H new ATOM 416 N GLU A 26 31.212 28.723 -18.161 1.00 0.41 N ATOM 417 CA GLU A 26 29.772 28.610 -18.558 1.00 0.44 C ATOM 418 C GLU A 26 29.193 27.230 -18.193 1.00 0.39 C ATOM 419 O GLU A 26 28.032 26.965 -18.443 1.00 0.42 O ATOM 420 CB GLU A 26 29.763 28.808 -20.077 1.00 0.53 C ATOM 421 CG GLU A 26 28.415 29.397 -20.515 1.00 0.59 C ATOM 422 CD GLU A 26 27.607 28.340 -21.276 1.00 0.63 C ATOM 423 OE1 GLU A 26 28.017 27.977 -22.368 1.00 1.12 O ATOM 424 OE2 GLU A 26 26.590 27.912 -20.757 1.00 0.54 O ATOM 0 H GLU A 26 31.882 28.537 -18.907 1.00 0.41 H new ATOM 0 HA GLU A 26 29.156 29.344 -18.038 1.00 0.44 H new ATOM 0 HB2 GLU A 26 30.574 29.474 -20.371 1.00 0.53 H new ATOM 0 HB3 GLU A 26 29.935 27.856 -20.578 1.00 0.53 H new ATOM 0 HG2 GLU A 26 27.856 29.737 -19.643 1.00 0.59 H new ATOM 0 HG3 GLU A 26 28.578 30.269 -21.149 1.00 0.59 H new ATOM 431 N LEU A 27 29.980 26.345 -17.613 1.00 0.35 N ATOM 432 CA LEU A 27 29.443 24.992 -17.254 1.00 0.35 C ATOM 433 C LEU A 27 28.248 25.113 -16.294 1.00 0.30 C ATOM 434 O LEU A 27 27.318 24.338 -16.365 1.00 0.32 O ATOM 435 CB LEU A 27 30.614 24.220 -16.609 1.00 0.42 C ATOM 436 CG LEU A 27 30.903 24.721 -15.182 1.00 0.39 C ATOM 437 CD1 LEU A 27 30.015 23.982 -14.176 1.00 0.61 C ATOM 438 CD2 LEU A 27 32.368 24.446 -14.835 1.00 0.42 C ATOM 0 H LEU A 27 30.960 26.502 -17.376 1.00 0.35 H new ATOM 0 HA LEU A 27 29.071 24.465 -18.133 1.00 0.35 H new ATOM 0 HB2 LEU A 27 30.378 23.156 -16.581 1.00 0.42 H new ATOM 0 HB3 LEU A 27 31.507 24.333 -17.223 1.00 0.42 H new ATOM 0 HG LEU A 27 30.697 25.790 -15.135 1.00 0.39 H new ATOM 0 HD11 LEU A 27 30.227 24.343 -13.170 1.00 0.61 H new ATOM 0 HD12 LEU A 27 28.967 24.164 -14.414 1.00 0.61 H new ATOM 0 HD13 LEU A 27 30.219 22.912 -14.228 1.00 0.61 H new ATOM 0 HD21 LEU A 27 32.575 24.800 -13.825 1.00 0.42 H new ATOM 0 HD22 LEU A 27 32.560 23.375 -14.891 1.00 0.42 H new ATOM 0 HD23 LEU A 27 33.013 24.968 -15.542 1.00 0.42 H new ATOM 450 N VAL A 28 28.260 26.078 -15.402 1.00 0.28 N ATOM 451 CA VAL A 28 27.115 26.235 -14.446 1.00 0.27 C ATOM 452 C VAL A 28 25.897 26.849 -15.158 1.00 0.24 C ATOM 453 O VAL A 28 24.765 26.537 -14.836 1.00 0.27 O ATOM 454 CB VAL A 28 27.641 27.158 -13.334 1.00 0.33 C ATOM 455 CG1 VAL A 28 27.798 28.592 -13.855 1.00 0.38 C ATOM 456 CG2 VAL A 28 26.659 27.151 -12.158 1.00 0.40 C ATOM 0 H VAL A 28 29.010 26.761 -15.295 1.00 0.28 H new ATOM 0 HA VAL A 28 26.780 25.279 -14.043 1.00 0.27 H new ATOM 0 HB VAL A 28 28.615 26.793 -13.008 1.00 0.33 H new ATOM 0 HG11 VAL A 28 28.171 29.231 -13.055 1.00 0.38 H new ATOM 0 HG12 VAL A 28 28.503 28.602 -14.686 1.00 0.38 H new ATOM 0 HG13 VAL A 28 26.831 28.963 -14.195 1.00 0.38 H new ATOM 0 HG21 VAL A 28 27.031 27.805 -11.369 1.00 0.40 H new ATOM 0 HG22 VAL A 28 25.685 27.507 -12.495 1.00 0.40 H new ATOM 0 HG23 VAL A 28 26.561 26.136 -11.772 1.00 0.40 H new ATOM 466 N ASP A 29 26.122 27.709 -16.126 1.00 0.24 N ATOM 467 CA ASP A 29 24.980 28.336 -16.861 1.00 0.26 C ATOM 468 C ASP A 29 24.201 27.266 -17.635 1.00 0.23 C ATOM 469 O ASP A 29 22.987 27.198 -17.561 1.00 0.26 O ATOM 470 CB ASP A 29 25.621 29.340 -17.825 1.00 0.32 C ATOM 471 CG ASP A 29 24.531 30.027 -18.655 1.00 0.43 C ATOM 472 OD1 ASP A 29 23.937 30.968 -18.156 1.00 0.63 O ATOM 473 OD2 ASP A 29 24.310 29.599 -19.777 1.00 0.54 O ATOM 0 H ASP A 29 27.048 28.002 -16.437 1.00 0.24 H new ATOM 0 HA ASP A 29 24.273 28.820 -16.187 1.00 0.26 H new ATOM 0 HB2 ASP A 29 26.189 30.084 -17.266 1.00 0.32 H new ATOM 0 HB3 ASP A 29 26.325 28.829 -18.482 1.00 0.32 H new ATOM 478 N GLN A 30 24.889 26.432 -18.375 1.00 0.21 N ATOM 479 CA GLN A 30 24.186 25.366 -19.152 1.00 0.21 C ATOM 480 C GLN A 30 23.677 24.267 -18.222 1.00 0.20 C ATOM 481 O GLN A 30 22.616 23.730 -18.435 1.00 0.22 O ATOM 482 CB GLN A 30 25.224 24.806 -20.126 1.00 0.24 C ATOM 483 CG GLN A 30 24.548 24.528 -21.471 1.00 0.26 C ATOM 484 CD GLN A 30 24.967 25.597 -22.484 1.00 0.66 C ATOM 485 OE1 GLN A 30 24.316 26.615 -22.613 1.00 1.01 O ATOM 486 NE2 GLN A 30 26.036 25.410 -23.209 1.00 1.04 N ATOM 0 H GLN A 30 25.904 26.443 -18.474 1.00 0.21 H new ATOM 0 HA GLN A 30 23.317 25.763 -19.676 1.00 0.21 H new ATOM 0 HB2 GLN A 30 26.041 25.516 -20.255 1.00 0.24 H new ATOM 0 HB3 GLN A 30 25.659 23.890 -19.727 1.00 0.24 H new ATOM 0 HG2 GLN A 30 24.828 23.539 -21.833 1.00 0.26 H new ATOM 0 HG3 GLN A 30 23.464 24.529 -21.353 1.00 0.26 H new ATOM 0 HE21 GLN A 30 26.583 24.556 -23.101 1.00 1.04 H new ATOM 0 HE22 GLN A 30 26.325 26.118 -23.884 1.00 1.04 H new ATOM 495 N VAL A 31 24.419 23.926 -17.198 1.00 0.20 N ATOM 496 CA VAL A 31 23.961 22.849 -16.263 1.00 0.21 C ATOM 497 C VAL A 31 22.586 23.191 -15.664 1.00 0.21 C ATOM 498 O VAL A 31 21.702 22.357 -15.627 1.00 0.23 O ATOM 499 CB VAL A 31 25.036 22.784 -15.168 1.00 0.22 C ATOM 500 CG1 VAL A 31 24.456 22.159 -13.896 1.00 0.24 C ATOM 501 CG2 VAL A 31 26.209 21.929 -15.661 1.00 0.26 C ATOM 0 H VAL A 31 25.320 24.345 -16.968 1.00 0.20 H new ATOM 0 HA VAL A 31 23.842 21.892 -16.772 1.00 0.21 H new ATOM 0 HB VAL A 31 25.379 23.794 -14.945 1.00 0.22 H new ATOM 0 HG11 VAL A 31 25.227 22.118 -13.127 1.00 0.24 H new ATOM 0 HG12 VAL A 31 23.621 22.764 -13.541 1.00 0.24 H new ATOM 0 HG13 VAL A 31 24.106 21.150 -14.113 1.00 0.24 H new ATOM 0 HG21 VAL A 31 26.974 21.880 -14.887 1.00 0.26 H new ATOM 0 HG22 VAL A 31 25.856 20.923 -15.886 1.00 0.26 H new ATOM 0 HG23 VAL A 31 26.632 22.375 -16.561 1.00 0.26 H new ATOM 511 N VAL A 32 22.402 24.399 -15.188 1.00 0.22 N ATOM 512 CA VAL A 32 21.082 24.770 -14.583 1.00 0.24 C ATOM 513 C VAL A 32 20.014 25.021 -15.664 1.00 0.23 C ATOM 514 O VAL A 32 18.858 24.677 -15.484 1.00 0.25 O ATOM 515 CB VAL A 32 21.351 26.038 -13.753 1.00 0.28 C ATOM 516 CG1 VAL A 32 21.551 27.250 -14.669 1.00 0.33 C ATOM 517 CG2 VAL A 32 20.164 26.296 -12.818 1.00 0.34 C ATOM 0 H VAL A 32 23.103 25.140 -15.191 1.00 0.22 H new ATOM 0 HA VAL A 32 20.687 23.964 -13.965 1.00 0.24 H new ATOM 0 HB VAL A 32 22.259 25.888 -13.169 1.00 0.28 H new ATOM 0 HG11 VAL A 32 21.740 28.136 -14.064 1.00 0.33 H new ATOM 0 HG12 VAL A 32 22.401 27.072 -15.327 1.00 0.33 H new ATOM 0 HG13 VAL A 32 20.654 27.405 -15.269 1.00 0.33 H new ATOM 0 HG21 VAL A 32 20.353 27.194 -12.229 1.00 0.34 H new ATOM 0 HG22 VAL A 32 19.258 26.433 -13.409 1.00 0.34 H new ATOM 0 HG23 VAL A 32 20.035 25.444 -12.150 1.00 0.34 H new ATOM 527 N GLU A 33 20.375 25.612 -16.782 1.00 0.21 N ATOM 528 CA GLU A 33 19.351 25.869 -17.847 1.00 0.22 C ATOM 529 C GLU A 33 19.009 24.575 -18.603 1.00 0.20 C ATOM 530 O GLU A 33 17.893 24.398 -19.056 1.00 0.23 O ATOM 531 CB GLU A 33 19.968 26.925 -18.783 1.00 0.24 C ATOM 532 CG GLU A 33 21.049 26.303 -19.679 1.00 0.27 C ATOM 533 CD GLU A 33 20.464 25.977 -21.059 1.00 0.36 C ATOM 534 OE1 GLU A 33 20.026 26.897 -21.730 1.00 0.56 O ATOM 535 OE2 GLU A 33 20.470 24.812 -21.423 1.00 0.44 O ATOM 0 H GLU A 33 21.321 25.923 -17.001 1.00 0.21 H new ATOM 0 HA GLU A 33 18.413 26.226 -17.423 1.00 0.22 H new ATOM 0 HB2 GLU A 33 19.188 27.367 -19.402 1.00 0.24 H new ATOM 0 HB3 GLU A 33 20.401 27.732 -18.191 1.00 0.24 H new ATOM 0 HG2 GLU A 33 21.887 26.992 -19.784 1.00 0.27 H new ATOM 0 HG3 GLU A 33 21.438 25.396 -19.217 1.00 0.27 H new ATOM 542 N VAL A 34 19.948 23.667 -18.739 1.00 0.19 N ATOM 543 CA VAL A 34 19.655 22.391 -19.463 1.00 0.19 C ATOM 544 C VAL A 34 18.912 21.416 -18.537 1.00 0.20 C ATOM 545 O VAL A 34 18.039 20.690 -18.975 1.00 0.23 O ATOM 546 CB VAL A 34 21.019 21.840 -19.920 1.00 0.20 C ATOM 547 CG1 VAL A 34 21.788 21.218 -18.751 1.00 0.22 C ATOM 548 CG2 VAL A 34 20.795 20.780 -20.995 1.00 0.24 C ATOM 0 H VAL A 34 20.899 23.755 -18.381 1.00 0.19 H new ATOM 0 HA VAL A 34 19.004 22.543 -20.324 1.00 0.19 H new ATOM 0 HB VAL A 34 21.609 22.667 -20.316 1.00 0.20 H new ATOM 0 HG11 VAL A 34 22.746 20.839 -19.106 1.00 0.22 H new ATOM 0 HG12 VAL A 34 21.959 21.974 -17.985 1.00 0.22 H new ATOM 0 HG13 VAL A 34 21.207 20.398 -18.329 1.00 0.22 H new ATOM 0 HG21 VAL A 34 21.757 20.386 -21.323 1.00 0.24 H new ATOM 0 HG22 VAL A 34 20.191 19.970 -20.587 1.00 0.24 H new ATOM 0 HG23 VAL A 34 20.277 21.226 -21.844 1.00 0.24 H new ATOM 558 N VAL A 35 19.223 21.413 -17.257 1.00 0.21 N ATOM 559 CA VAL A 35 18.495 20.501 -16.321 1.00 0.23 C ATOM 560 C VAL A 35 17.080 21.046 -16.073 1.00 0.24 C ATOM 561 O VAL A 35 16.154 20.295 -15.845 1.00 0.27 O ATOM 562 CB VAL A 35 19.316 20.472 -15.025 1.00 0.25 C ATOM 563 CG1 VAL A 35 19.165 21.796 -14.277 1.00 0.26 C ATOM 564 CG2 VAL A 35 18.817 19.330 -14.134 1.00 0.31 C ATOM 0 H VAL A 35 19.941 21.997 -16.828 1.00 0.21 H new ATOM 0 HA VAL A 35 18.388 19.495 -16.726 1.00 0.23 H new ATOM 0 HB VAL A 35 20.366 20.319 -15.273 1.00 0.25 H new ATOM 0 HG11 VAL A 35 19.752 21.764 -13.359 1.00 0.26 H new ATOM 0 HG12 VAL A 35 19.520 22.612 -14.906 1.00 0.26 H new ATOM 0 HG13 VAL A 35 18.115 21.957 -14.031 1.00 0.26 H new ATOM 0 HG21 VAL A 35 19.399 19.307 -13.212 1.00 0.31 H new ATOM 0 HG22 VAL A 35 17.765 19.488 -13.896 1.00 0.31 H new ATOM 0 HG23 VAL A 35 18.932 18.382 -14.659 1.00 0.31 H new ATOM 574 N GLN A 36 16.908 22.347 -16.134 1.00 0.23 N ATOM 575 CA GLN A 36 15.553 22.941 -15.920 1.00 0.25 C ATOM 576 C GLN A 36 14.692 22.755 -17.181 1.00 0.26 C ATOM 577 O GLN A 36 13.500 22.529 -17.097 1.00 0.31 O ATOM 578 CB GLN A 36 15.808 24.428 -15.654 1.00 0.29 C ATOM 579 CG GLN A 36 14.486 25.198 -15.703 1.00 0.36 C ATOM 580 CD GLN A 36 14.727 26.655 -15.300 1.00 0.43 C ATOM 581 OE1 GLN A 36 14.355 27.067 -14.218 1.00 0.63 O ATOM 582 NE2 GLN A 36 15.336 27.460 -16.128 1.00 0.76 N ATOM 0 H GLN A 36 17.650 23.021 -16.323 1.00 0.23 H new ATOM 0 HA GLN A 36 15.018 22.469 -15.096 1.00 0.25 H new ATOM 0 HB2 GLN A 36 16.279 24.557 -14.679 1.00 0.29 H new ATOM 0 HB3 GLN A 36 16.499 24.826 -16.397 1.00 0.29 H new ATOM 0 HG2 GLN A 36 14.064 25.153 -16.707 1.00 0.36 H new ATOM 0 HG3 GLN A 36 13.761 24.739 -15.031 1.00 0.36 H new ATOM 0 HE21 GLN A 36 15.649 27.116 -17.036 1.00 0.76 H new ATOM 0 HE22 GLN A 36 15.499 28.432 -15.867 1.00 0.76 H new ATOM 591 N ARG A 37 15.291 22.849 -18.347 1.00 0.26 N ATOM 592 CA ARG A 37 14.511 22.679 -19.617 1.00 0.30 C ATOM 593 C ARG A 37 13.980 21.242 -19.752 1.00 0.30 C ATOM 594 O ARG A 37 12.974 21.009 -20.393 1.00 0.38 O ATOM 595 CB ARG A 37 15.505 22.984 -20.743 1.00 0.34 C ATOM 596 CG ARG A 37 15.439 24.472 -21.097 1.00 0.40 C ATOM 597 CD ARG A 37 16.716 24.880 -21.839 1.00 0.45 C ATOM 598 NE ARG A 37 16.431 24.617 -23.279 1.00 0.50 N ATOM 599 CZ ARG A 37 17.125 23.722 -23.932 1.00 0.59 C ATOM 600 NH1 ARG A 37 18.338 24.004 -24.334 1.00 0.91 N ATOM 601 NH2 ARG A 37 16.607 22.547 -24.182 1.00 0.57 N ATOM 0 H ARG A 37 16.286 23.036 -18.474 1.00 0.26 H new ATOM 0 HA ARG A 37 13.642 23.336 -19.643 1.00 0.30 H new ATOM 0 HB2 ARG A 37 16.515 22.718 -20.432 1.00 0.34 H new ATOM 0 HB3 ARG A 37 15.273 22.380 -21.620 1.00 0.34 H new ATOM 0 HG2 ARG A 37 14.566 24.670 -21.719 1.00 0.40 H new ATOM 0 HG3 ARG A 37 15.327 25.067 -20.191 1.00 0.40 H new ATOM 0 HD2 ARG A 37 16.952 25.931 -21.669 1.00 0.45 H new ATOM 0 HD3 ARG A 37 17.573 24.302 -21.495 1.00 0.45 H new ATOM 0 HE ARG A 37 15.693 25.136 -23.755 1.00 0.50 H new ATOM 0 HH11 ARG A 37 18.740 24.921 -24.138 1.00 0.91 H new ATOM 0 HH12 ARG A 37 18.881 23.307 -24.844 1.00 0.91 H new ATOM 0 HH21 ARG A 37 15.662 22.329 -23.867 1.00 0.57 H new ATOM 0 HH22 ARG A 37 17.149 21.849 -24.692 1.00 0.57 H new ATOM 615 N HIS A 38 14.649 20.280 -19.156 1.00 0.26 N ATOM 616 CA HIS A 38 14.179 18.860 -19.258 1.00 0.28 C ATOM 617 C HIS A 38 13.531 18.410 -17.942 1.00 0.30 C ATOM 618 O HIS A 38 12.470 17.818 -17.940 1.00 0.35 O ATOM 619 CB HIS A 38 15.439 18.041 -19.543 1.00 0.29 C ATOM 620 CG HIS A 38 15.688 18.002 -21.026 1.00 0.32 C ATOM 621 ND1 HIS A 38 16.354 18.859 -21.865 1.00 0.42 N flip ATOM 622 CD2 HIS A 38 15.226 16.971 -21.829 1.00 0.38 C flip ATOM 623 CE1 HIS A 38 16.307 18.373 -23.167 1.00 0.49 C flip ATOM 624 NE2 HIS A 38 15.616 17.232 -23.089 1.00 0.47 N flip ATOM 0 H HIS A 38 15.497 20.417 -18.606 1.00 0.26 H new ATOM 0 HA HIS A 38 13.426 18.735 -20.036 1.00 0.28 H new ATOM 0 HB2 HIS A 38 16.295 18.481 -19.031 1.00 0.29 H new ATOM 0 HB3 HIS A 38 15.323 17.029 -19.156 1.00 0.29 H new ATOM 0 HD1 HIS A 38 16.814 19.723 -21.577 1.00 0.42 H new ATOM 0 HD2 HIS A 38 14.656 16.114 -21.502 1.00 0.38 H new ATOM 0 HE1 HIS A 38 16.736 18.821 -24.051 1.00 0.49 H new ATOM 632 N ALA A 39 14.158 18.696 -16.827 1.00 0.32 N ATOM 633 CA ALA A 39 13.576 18.293 -15.510 1.00 0.36 C ATOM 634 C ALA A 39 12.880 19.496 -14.859 1.00 0.35 C ATOM 635 O ALA A 39 13.271 20.627 -15.076 1.00 0.33 O ATOM 636 CB ALA A 39 14.768 17.835 -14.666 1.00 0.38 C ATOM 0 H ALA A 39 15.048 19.191 -16.773 1.00 0.32 H new ATOM 0 HA ALA A 39 12.829 17.505 -15.609 1.00 0.36 H new ATOM 0 HB1 ALA A 39 14.418 17.523 -13.682 1.00 0.38 H new ATOM 0 HB2 ALA A 39 15.262 16.997 -15.158 1.00 0.38 H new ATOM 0 HB3 ALA A 39 15.474 18.658 -14.556 1.00 0.38 H new ATOM 642 N PRO A 40 11.861 19.213 -14.081 1.00 0.43 N ATOM 643 CA PRO A 40 11.098 20.293 -13.397 1.00 0.48 C ATOM 644 C PRO A 40 11.936 20.947 -12.289 1.00 0.41 C ATOM 645 O PRO A 40 11.881 22.147 -12.092 1.00 0.55 O ATOM 646 CB PRO A 40 9.887 19.563 -12.817 1.00 0.59 C ATOM 647 CG PRO A 40 10.326 18.142 -12.670 1.00 0.60 C ATOM 648 CD PRO A 40 11.329 17.879 -13.762 1.00 0.53 C ATOM 0 HA PRO A 40 10.820 21.106 -14.068 1.00 0.48 H new ATOM 0 HB2 PRO A 40 9.593 19.987 -11.857 1.00 0.59 H new ATOM 0 HB3 PRO A 40 9.024 19.643 -13.478 1.00 0.59 H new ATOM 0 HG2 PRO A 40 10.770 17.975 -11.689 1.00 0.60 H new ATOM 0 HG3 PRO A 40 9.476 17.465 -12.755 1.00 0.60 H new ATOM 0 HD2 PRO A 40 12.117 17.204 -13.427 1.00 0.53 H new ATOM 0 HD3 PRO A 40 10.861 17.417 -14.631 1.00 0.53 H new ATOM 656 N GLY A 41 12.708 20.173 -11.565 1.00 0.38 N ATOM 657 CA GLY A 41 13.545 20.751 -10.472 1.00 0.36 C ATOM 658 C GLY A 41 14.876 21.252 -11.043 1.00 0.31 C ATOM 659 O GLY A 41 15.428 20.670 -11.960 1.00 0.43 O ATOM 0 H GLY A 41 12.793 19.164 -11.686 1.00 0.38 H new ATOM 0 HA2 GLY A 41 13.014 21.572 -9.991 1.00 0.36 H new ATOM 0 HA3 GLY A 41 13.729 19.998 -9.706 1.00 0.36 H new ATOM 663 N ASP A 42 15.397 22.325 -10.500 1.00 0.31 N ATOM 664 CA ASP A 42 16.697 22.870 -10.995 1.00 0.28 C ATOM 665 C ASP A 42 17.856 22.234 -10.222 1.00 0.27 C ATOM 666 O ASP A 42 17.716 21.860 -9.072 1.00 0.36 O ATOM 667 CB ASP A 42 16.631 24.378 -10.732 1.00 0.34 C ATOM 668 CG ASP A 42 16.068 25.090 -11.966 1.00 0.38 C ATOM 669 OD1 ASP A 42 14.869 25.001 -12.181 1.00 0.52 O ATOM 670 OD2 ASP A 42 16.843 25.711 -12.674 1.00 0.47 O ATOM 0 H ASP A 42 14.975 22.848 -9.732 1.00 0.31 H new ATOM 0 HA ASP A 42 16.861 22.656 -12.051 1.00 0.28 H new ATOM 0 HB2 ASP A 42 16.002 24.579 -9.865 1.00 0.34 H new ATOM 0 HB3 ASP A 42 17.625 24.761 -10.500 1.00 0.34 H new ATOM 675 N TYR A 43 18.996 22.101 -10.850 1.00 0.23 N ATOM 676 CA TYR A 43 20.170 21.477 -10.163 1.00 0.22 C ATOM 677 C TYR A 43 21.448 22.278 -10.435 1.00 0.21 C ATOM 678 O TYR A 43 21.432 23.277 -11.131 1.00 0.24 O ATOM 679 CB TYR A 43 20.274 20.070 -10.751 1.00 0.22 C ATOM 680 CG TYR A 43 19.225 19.187 -10.118 1.00 0.22 C ATOM 681 CD1 TYR A 43 19.475 18.581 -8.880 1.00 0.31 C ATOM 682 CD2 TYR A 43 18.000 18.982 -10.763 1.00 0.28 C ATOM 683 CE1 TYR A 43 18.498 17.774 -8.288 1.00 0.35 C ATOM 684 CE2 TYR A 43 17.024 18.173 -10.172 1.00 0.32 C ATOM 685 CZ TYR A 43 17.273 17.568 -8.933 1.00 0.31 C ATOM 686 OH TYR A 43 16.309 16.774 -8.346 1.00 0.39 O ATOM 0 H TYR A 43 19.166 22.398 -11.811 1.00 0.23 H new ATOM 0 HA TYR A 43 20.045 21.457 -9.080 1.00 0.22 H new ATOM 0 HB2 TYR A 43 20.134 20.103 -11.831 1.00 0.22 H new ATOM 0 HB3 TYR A 43 21.268 19.660 -10.571 1.00 0.22 H new ATOM 0 HD1 TYR A 43 20.421 18.737 -8.383 1.00 0.31 H new ATOM 0 HD2 TYR A 43 17.808 19.449 -11.718 1.00 0.28 H new ATOM 0 HE1 TYR A 43 18.689 17.309 -7.332 1.00 0.35 H new ATOM 0 HE2 TYR A 43 16.079 18.015 -10.670 1.00 0.32 H new ATOM 0 HH TYR A 43 15.448 16.923 -8.789 1.00 0.39 H new ATOM 696 N THR A 44 22.555 21.853 -9.871 1.00 0.20 N ATOM 697 CA THR A 44 23.839 22.595 -10.073 1.00 0.20 C ATOM 698 C THR A 44 25.018 21.617 -10.232 1.00 0.19 C ATOM 699 O THR A 44 24.954 20.477 -9.791 1.00 0.20 O ATOM 700 CB THR A 44 24.021 23.451 -8.805 1.00 0.25 C ATOM 701 OG1 THR A 44 22.761 23.695 -8.189 1.00 0.35 O ATOM 702 CG2 THR A 44 24.664 24.791 -9.176 1.00 0.48 C ATOM 0 H THR A 44 22.623 21.025 -9.280 1.00 0.20 H new ATOM 0 HA THR A 44 23.812 23.203 -10.977 1.00 0.20 H new ATOM 0 HB THR A 44 24.663 22.911 -8.109 1.00 0.25 H new ATOM 0 HG1 THR A 44 22.890 24.238 -7.384 1.00 0.35 H new ATOM 0 HG21 THR A 44 24.792 25.395 -8.277 1.00 0.48 H new ATOM 0 HG22 THR A 44 25.637 24.613 -9.635 1.00 0.48 H new ATOM 0 HG23 THR A 44 24.022 25.320 -9.880 1.00 0.48 H new ATOM 710 N PRO A 45 26.062 22.104 -10.865 1.00 0.19 N ATOM 711 CA PRO A 45 27.282 21.300 -11.088 1.00 0.21 C ATOM 712 C PRO A 45 28.303 21.552 -9.963 1.00 0.22 C ATOM 713 O PRO A 45 28.217 22.529 -9.242 1.00 0.41 O ATOM 714 CB PRO A 45 27.805 21.852 -12.410 1.00 0.24 C ATOM 715 CG PRO A 45 27.270 23.256 -12.511 1.00 0.24 C ATOM 716 CD PRO A 45 26.207 23.437 -11.451 1.00 0.21 C ATOM 0 HA PRO A 45 27.101 20.225 -11.103 1.00 0.21 H new ATOM 0 HB2 PRO A 45 28.895 21.847 -12.432 1.00 0.24 H new ATOM 0 HB3 PRO A 45 27.466 21.244 -13.249 1.00 0.24 H new ATOM 0 HG2 PRO A 45 28.073 23.979 -12.370 1.00 0.24 H new ATOM 0 HG3 PRO A 45 26.852 23.433 -13.502 1.00 0.24 H new ATOM 0 HD2 PRO A 45 26.509 24.171 -10.704 1.00 0.21 H new ATOM 0 HD3 PRO A 45 25.269 23.788 -11.882 1.00 0.21 H new ATOM 724 N THR A 46 29.277 20.687 -9.825 1.00 0.22 N ATOM 725 CA THR A 46 30.322 20.876 -8.768 1.00 0.23 C ATOM 726 C THR A 46 31.710 20.803 -9.417 1.00 0.21 C ATOM 727 O THR A 46 32.300 19.744 -9.524 1.00 0.23 O ATOM 728 CB THR A 46 30.110 19.721 -7.778 1.00 0.28 C ATOM 729 OG1 THR A 46 28.761 19.723 -7.327 1.00 0.39 O ATOM 730 CG2 THR A 46 31.046 19.888 -6.578 1.00 0.35 C ATOM 0 H THR A 46 29.395 19.854 -10.401 1.00 0.22 H new ATOM 0 HA THR A 46 30.250 21.840 -8.264 1.00 0.23 H new ATOM 0 HB THR A 46 30.328 18.777 -8.277 1.00 0.28 H new ATOM 0 HG1 THR A 46 28.626 18.985 -6.697 1.00 0.39 H new ATOM 0 HG21 THR A 46 30.891 19.066 -5.879 1.00 0.35 H new ATOM 0 HG22 THR A 46 32.081 19.884 -6.920 1.00 0.35 H new ATOM 0 HG23 THR A 46 30.833 20.833 -6.079 1.00 0.35 H new ATOM 738 N VAL A 47 32.222 21.920 -9.876 1.00 0.22 N ATOM 739 CA VAL A 47 33.560 21.916 -10.550 1.00 0.22 C ATOM 740 C VAL A 47 34.708 21.970 -9.531 1.00 0.23 C ATOM 741 O VAL A 47 34.632 22.637 -8.515 1.00 0.27 O ATOM 742 CB VAL A 47 33.564 23.159 -11.461 1.00 0.27 C ATOM 743 CG1 VAL A 47 33.537 24.446 -10.625 1.00 0.34 C ATOM 744 CG2 VAL A 47 34.821 23.147 -12.336 1.00 0.31 C ATOM 0 H VAL A 47 31.772 22.833 -9.813 1.00 0.22 H new ATOM 0 HA VAL A 47 33.715 20.998 -11.117 1.00 0.22 H new ATOM 0 HB VAL A 47 32.673 23.132 -12.089 1.00 0.27 H new ATOM 0 HG11 VAL A 47 33.540 25.311 -11.288 1.00 0.34 H new ATOM 0 HG12 VAL A 47 32.636 24.463 -10.012 1.00 0.34 H new ATOM 0 HG13 VAL A 47 34.415 24.480 -9.981 1.00 0.34 H new ATOM 0 HG21 VAL A 47 34.824 24.026 -12.980 1.00 0.31 H new ATOM 0 HG22 VAL A 47 35.707 23.160 -11.701 1.00 0.31 H new ATOM 0 HG23 VAL A 47 34.828 22.247 -12.950 1.00 0.31 H new ATOM 754 N LYS A 48 35.776 21.266 -9.814 1.00 0.24 N ATOM 755 CA LYS A 48 36.955 21.258 -8.899 1.00 0.28 C ATOM 756 C LYS A 48 38.253 21.216 -9.721 1.00 0.29 C ATOM 757 O LYS A 48 38.263 20.712 -10.834 1.00 0.27 O ATOM 758 CB LYS A 48 36.802 19.995 -8.037 1.00 0.32 C ATOM 759 CG LYS A 48 37.008 18.736 -8.888 1.00 0.34 C ATOM 760 CD LYS A 48 36.268 17.557 -8.248 1.00 0.46 C ATOM 761 CE LYS A 48 35.170 17.059 -9.194 1.00 0.72 C ATOM 762 NZ LYS A 48 33.891 17.541 -8.600 1.00 0.73 N ATOM 0 H LYS A 48 35.880 20.691 -10.650 1.00 0.24 H new ATOM 0 HA LYS A 48 37.003 22.152 -8.277 1.00 0.28 H new ATOM 0 HB2 LYS A 48 37.526 20.013 -7.223 1.00 0.32 H new ATOM 0 HB3 LYS A 48 35.812 19.976 -7.582 1.00 0.32 H new ATOM 0 HG2 LYS A 48 36.639 18.904 -9.900 1.00 0.34 H new ATOM 0 HG3 LYS A 48 38.071 18.510 -8.970 1.00 0.34 H new ATOM 0 HD2 LYS A 48 36.968 16.750 -8.032 1.00 0.46 H new ATOM 0 HD3 LYS A 48 35.831 17.863 -7.297 1.00 0.46 H new ATOM 0 HE2 LYS A 48 35.309 17.453 -10.201 1.00 0.72 H new ATOM 0 HE3 LYS A 48 35.182 15.972 -9.273 1.00 0.72 H new ATOM 0 HZ1 LYS A 48 33.161 16.808 -8.706 1.00 0.73 H new ATOM 0 HZ2 LYS A 48 34.033 17.746 -7.590 1.00 0.73 H new ATOM 0 HZ3 LYS A 48 33.585 18.406 -9.089 1.00 0.73 H new ATOM 776 N PRO A 49 39.309 21.750 -9.150 1.00 0.36 N ATOM 777 CA PRO A 49 40.622 21.772 -9.842 1.00 0.41 C ATOM 778 C PRO A 49 41.266 20.377 -9.814 1.00 0.41 C ATOM 779 O PRO A 49 42.101 20.084 -8.978 1.00 0.52 O ATOM 780 CB PRO A 49 41.440 22.772 -9.027 1.00 0.52 C ATOM 781 CG PRO A 49 40.823 22.765 -7.664 1.00 0.55 C ATOM 782 CD PRO A 49 39.375 22.379 -7.824 1.00 0.45 C ATOM 0 HA PRO A 49 40.550 22.049 -10.894 1.00 0.41 H new ATOM 0 HB2 PRO A 49 42.490 22.481 -8.986 1.00 0.52 H new ATOM 0 HB3 PRO A 49 41.402 23.767 -9.471 1.00 0.52 H new ATOM 0 HG2 PRO A 49 41.338 22.058 -7.013 1.00 0.55 H new ATOM 0 HG3 PRO A 49 40.909 23.747 -7.199 1.00 0.55 H new ATOM 0 HD2 PRO A 49 39.059 21.690 -7.041 1.00 0.45 H new ATOM 0 HD3 PRO A 49 38.723 23.250 -7.764 1.00 0.45 H new ATOM 790 N SER A 50 40.883 19.520 -10.728 1.00 0.40 N ATOM 791 CA SER A 50 41.470 18.143 -10.764 1.00 0.47 C ATOM 792 C SER A 50 42.747 18.137 -11.612 1.00 0.46 C ATOM 793 O SER A 50 43.745 17.554 -11.235 1.00 0.52 O ATOM 794 CB SER A 50 40.395 17.263 -11.404 1.00 0.57 C ATOM 795 OG SER A 50 39.474 16.846 -10.404 1.00 0.85 O ATOM 0 H SER A 50 40.190 19.713 -11.451 1.00 0.40 H new ATOM 0 HA SER A 50 41.744 17.786 -9.771 1.00 0.47 H new ATOM 0 HB2 SER A 50 39.875 17.815 -12.187 1.00 0.57 H new ATOM 0 HB3 SER A 50 40.853 16.395 -11.878 1.00 0.57 H new ATOM 0 HG SER A 50 38.782 16.283 -10.811 1.00 0.85 H new ATOM 801 N SER A 51 42.719 18.784 -12.751 1.00 0.47 N ATOM 802 CA SER A 51 43.929 18.824 -13.630 1.00 0.53 C ATOM 803 C SER A 51 44.635 20.180 -13.502 1.00 0.52 C ATOM 804 O SER A 51 44.086 21.129 -12.973 1.00 0.57 O ATOM 805 CB SER A 51 43.395 18.629 -15.048 1.00 0.58 C ATOM 806 OG SER A 51 43.654 17.296 -15.471 1.00 0.97 O ATOM 0 H SER A 51 41.908 19.287 -13.111 1.00 0.47 H new ATOM 0 HA SER A 51 44.659 18.061 -13.361 1.00 0.53 H new ATOM 0 HB2 SER A 51 42.324 18.830 -15.076 1.00 0.58 H new ATOM 0 HB3 SER A 51 43.870 19.337 -15.728 1.00 0.58 H new ATOM 0 HG SER A 51 43.310 17.169 -16.380 1.00 0.97 H new ATOM 812 N LYS A 52 45.849 20.276 -13.986 1.00 0.61 N ATOM 813 CA LYS A 52 46.596 21.570 -13.898 1.00 0.65 C ATOM 814 C LYS A 52 46.532 22.318 -15.234 1.00 0.62 C ATOM 815 O LYS A 52 46.340 21.724 -16.280 1.00 0.77 O ATOM 816 CB LYS A 52 48.040 21.178 -13.576 1.00 0.82 C ATOM 817 CG LYS A 52 48.250 21.196 -12.059 1.00 1.09 C ATOM 818 CD LYS A 52 48.102 19.776 -11.502 1.00 1.40 C ATOM 819 CE LYS A 52 46.865 19.704 -10.598 1.00 1.68 C ATOM 820 NZ LYS A 52 46.525 18.253 -10.520 1.00 1.90 N ATOM 0 H LYS A 52 46.355 19.515 -14.438 1.00 0.61 H new ATOM 0 HA LYS A 52 46.174 22.233 -13.143 1.00 0.65 H new ATOM 0 HB2 LYS A 52 48.255 20.185 -13.971 1.00 0.82 H new ATOM 0 HB3 LYS A 52 48.731 21.870 -14.057 1.00 0.82 H new ATOM 0 HG2 LYS A 52 49.239 21.588 -11.823 1.00 1.09 H new ATOM 0 HG3 LYS A 52 47.524 21.859 -11.589 1.00 1.09 H new ATOM 0 HD2 LYS A 52 48.009 19.062 -12.320 1.00 1.40 H new ATOM 0 HD3 LYS A 52 48.993 19.501 -10.938 1.00 1.40 H new ATOM 0 HE2 LYS A 52 47.074 20.114 -9.610 1.00 1.68 H new ATOM 0 HE3 LYS A 52 46.039 20.281 -11.014 1.00 1.68 H new ATOM 0 HZ1 LYS A 52 45.531 18.114 -10.794 1.00 1.90 H new ATOM 0 HZ2 LYS A 52 47.140 17.717 -11.165 1.00 1.90 H new ATOM 0 HZ3 LYS A 52 46.666 17.915 -9.547 1.00 1.90 H new ATOM 834 N GLY A 53 46.691 23.618 -15.202 1.00 0.61 N ATOM 835 CA GLY A 53 46.644 24.414 -16.464 1.00 0.58 C ATOM 836 C GLY A 53 45.221 24.928 -16.695 1.00 0.50 C ATOM 837 O GLY A 53 44.569 25.400 -15.782 1.00 0.55 O ATOM 0 H GLY A 53 46.852 24.162 -14.354 1.00 0.61 H new ATOM 0 HA2 GLY A 53 47.339 25.252 -16.403 1.00 0.58 H new ATOM 0 HA3 GLY A 53 46.960 23.798 -17.306 1.00 0.58 H new ATOM 841 N ASN A 54 44.737 24.839 -17.909 1.00 0.43 N ATOM 842 CA ASN A 54 43.354 25.322 -18.207 1.00 0.38 C ATOM 843 C ASN A 54 42.387 24.132 -18.306 1.00 0.32 C ATOM 844 O ASN A 54 41.813 23.867 -19.345 1.00 0.35 O ATOM 845 CB ASN A 54 43.468 26.052 -19.551 1.00 0.42 C ATOM 846 CG ASN A 54 42.281 27.003 -19.723 1.00 0.49 C ATOM 847 OD1 ASN A 54 42.281 28.094 -19.189 1.00 0.62 O ATOM 848 ND2 ASN A 54 41.261 26.635 -20.451 1.00 0.57 N ATOM 0 H ASN A 54 45.241 24.452 -18.707 1.00 0.43 H new ATOM 0 HA ASN A 54 42.965 25.976 -17.427 1.00 0.38 H new ATOM 0 HB2 ASN A 54 44.403 26.610 -19.595 1.00 0.42 H new ATOM 0 HB3 ASN A 54 43.489 25.330 -20.367 1.00 0.42 H new ATOM 0 HD21 ASN A 54 40.466 27.263 -20.570 1.00 0.57 H new ATOM 0 HD22 ASN A 54 41.259 25.719 -20.900 1.00 0.57 H new ATOM 855 N TYR A 55 42.207 23.414 -17.224 1.00 0.31 N ATOM 856 CA TYR A 55 41.279 22.243 -17.240 1.00 0.26 C ATOM 857 C TYR A 55 40.495 22.172 -15.926 1.00 0.27 C ATOM 858 O TYR A 55 41.032 22.404 -14.859 1.00 0.42 O ATOM 859 CB TYR A 55 42.184 21.017 -17.396 1.00 0.32 C ATOM 860 CG TYR A 55 41.377 19.860 -17.938 1.00 0.40 C ATOM 861 CD1 TYR A 55 40.670 19.026 -17.062 1.00 0.49 C ATOM 862 CD2 TYR A 55 41.334 19.622 -19.318 1.00 0.53 C ATOM 863 CE1 TYR A 55 39.921 17.957 -17.564 1.00 0.65 C ATOM 864 CE2 TYR A 55 40.585 18.552 -19.820 1.00 0.68 C ATOM 865 CZ TYR A 55 39.878 17.720 -18.943 1.00 0.73 C ATOM 866 OH TYR A 55 39.138 16.666 -19.439 1.00 0.91 O ATOM 0 H TYR A 55 42.664 23.590 -16.329 1.00 0.31 H new ATOM 0 HA TYR A 55 40.545 22.309 -18.043 1.00 0.26 H new ATOM 0 HB2 TYR A 55 43.010 21.245 -18.070 1.00 0.32 H new ATOM 0 HB3 TYR A 55 42.621 20.750 -16.434 1.00 0.32 H new ATOM 0 HD1 TYR A 55 40.703 19.209 -15.998 1.00 0.49 H new ATOM 0 HD2 TYR A 55 41.879 20.264 -19.994 1.00 0.53 H new ATOM 0 HE1 TYR A 55 39.376 17.315 -16.888 1.00 0.65 H new ATOM 0 HE2 TYR A 55 40.552 18.368 -20.884 1.00 0.68 H new ATOM 0 HH TYR A 55 39.215 16.643 -20.416 1.00 0.91 H new ATOM 876 N HIS A 56 39.227 21.855 -16.001 1.00 0.22 N ATOM 877 CA HIS A 56 38.396 21.768 -14.764 1.00 0.25 C ATOM 878 C HIS A 56 37.447 20.566 -14.839 1.00 0.23 C ATOM 879 O HIS A 56 36.831 20.312 -15.858 1.00 0.31 O ATOM 880 CB HIS A 56 37.602 23.078 -14.727 1.00 0.33 C ATOM 881 CG HIS A 56 38.194 23.994 -13.692 1.00 0.47 C ATOM 882 ND1 HIS A 56 38.888 25.144 -14.032 1.00 0.81 N ATOM 883 CD2 HIS A 56 38.203 23.941 -12.320 1.00 0.70 C ATOM 884 CE1 HIS A 56 39.281 25.733 -12.888 1.00 0.88 C ATOM 885 NE2 HIS A 56 38.890 25.040 -11.815 1.00 0.77 N ATOM 0 H HIS A 56 38.731 21.652 -16.869 1.00 0.22 H new ATOM 0 HA HIS A 56 39.004 21.633 -13.870 1.00 0.25 H new ATOM 0 HB2 HIS A 56 37.623 23.556 -15.706 1.00 0.33 H new ATOM 0 HB3 HIS A 56 36.557 22.876 -14.494 1.00 0.33 H new ATOM 0 HD2 HIS A 56 37.746 23.165 -11.724 1.00 0.70 H new ATOM 0 HE1 HIS A 56 39.844 26.654 -12.843 1.00 0.88 H new ATOM 0 HE2 HIS A 56 39.059 25.268 -10.835 1.00 0.77 H new ATOM 893 N SER A 57 37.322 19.834 -13.760 1.00 0.21 N ATOM 894 CA SER A 57 36.407 18.651 -13.750 1.00 0.23 C ATOM 895 C SER A 57 35.184 18.964 -12.884 1.00 0.20 C ATOM 896 O SER A 57 35.312 19.271 -11.715 1.00 0.27 O ATOM 897 CB SER A 57 37.229 17.515 -13.140 1.00 0.29 C ATOM 898 OG SER A 57 38.231 17.114 -14.064 1.00 0.38 O ATOM 0 H SER A 57 37.815 20.005 -12.884 1.00 0.21 H new ATOM 0 HA SER A 57 36.043 18.389 -14.744 1.00 0.23 H new ATOM 0 HB2 SER A 57 37.688 17.843 -12.207 1.00 0.29 H new ATOM 0 HB3 SER A 57 36.582 16.672 -12.898 1.00 0.29 H new ATOM 0 HG SER A 57 38.761 16.387 -13.676 1.00 0.38 H new ATOM 904 N VAL A 58 34.002 18.912 -13.448 1.00 0.19 N ATOM 905 CA VAL A 58 32.784 19.235 -12.649 1.00 0.19 C ATOM 906 C VAL A 58 31.738 18.113 -12.739 1.00 0.20 C ATOM 907 O VAL A 58 31.577 17.476 -13.763 1.00 0.24 O ATOM 908 CB VAL A 58 32.246 20.543 -13.254 1.00 0.21 C ATOM 909 CG1 VAL A 58 32.098 20.418 -14.773 1.00 0.24 C ATOM 910 CG2 VAL A 58 30.885 20.860 -12.646 1.00 0.23 C ATOM 0 H VAL A 58 33.831 18.661 -14.422 1.00 0.19 H new ATOM 0 HA VAL A 58 33.014 19.339 -11.589 1.00 0.19 H new ATOM 0 HB VAL A 58 32.953 21.343 -13.033 1.00 0.21 H new ATOM 0 HG11 VAL A 58 31.716 21.354 -15.180 1.00 0.24 H new ATOM 0 HG12 VAL A 58 33.069 20.199 -15.216 1.00 0.24 H new ATOM 0 HG13 VAL A 58 31.403 19.611 -15.006 1.00 0.24 H new ATOM 0 HG21 VAL A 58 30.502 21.787 -13.074 1.00 0.23 H new ATOM 0 HG22 VAL A 58 30.192 20.047 -12.862 1.00 0.23 H new ATOM 0 HG23 VAL A 58 30.986 20.973 -11.567 1.00 0.23 H new ATOM 920 N SER A 59 31.019 17.884 -11.666 1.00 0.23 N ATOM 921 CA SER A 59 29.967 16.823 -11.665 1.00 0.25 C ATOM 922 C SER A 59 28.582 17.475 -11.570 1.00 0.23 C ATOM 923 O SER A 59 28.271 18.155 -10.609 1.00 0.25 O ATOM 924 CB SER A 59 30.258 15.961 -10.433 1.00 0.29 C ATOM 925 OG SER A 59 30.253 16.773 -9.265 1.00 0.35 O ATOM 0 H SER A 59 31.118 18.391 -10.786 1.00 0.23 H new ATOM 0 HA SER A 59 29.976 16.222 -12.574 1.00 0.25 H new ATOM 0 HB2 SER A 59 29.509 15.174 -10.343 1.00 0.29 H new ATOM 0 HB3 SER A 59 31.225 15.470 -10.542 1.00 0.29 H new ATOM 0 HG SER A 59 29.513 17.414 -9.315 1.00 0.35 H new ATOM 931 N ILE A 60 27.756 17.284 -12.567 1.00 0.24 N ATOM 932 CA ILE A 60 26.394 17.907 -12.547 1.00 0.23 C ATOM 933 C ILE A 60 25.347 16.936 -11.989 1.00 0.22 C ATOM 934 O ILE A 60 25.290 15.775 -12.368 1.00 0.25 O ATOM 935 CB ILE A 60 26.077 18.259 -14.013 1.00 0.26 C ATOM 936 CG1 ILE A 60 24.678 18.889 -14.089 1.00 0.28 C ATOM 937 CG2 ILE A 60 26.113 16.995 -14.886 1.00 0.29 C ATOM 938 CD1 ILE A 60 24.317 19.181 -15.549 1.00 0.32 C ATOM 0 H ILE A 60 27.964 16.724 -13.394 1.00 0.24 H new ATOM 0 HA ILE A 60 26.372 18.786 -11.903 1.00 0.23 H new ATOM 0 HB ILE A 60 26.825 18.962 -14.379 1.00 0.26 H new ATOM 0 HG12 ILE A 60 23.942 18.215 -13.651 1.00 0.28 H new ATOM 0 HG13 ILE A 60 24.652 19.811 -13.508 1.00 0.28 H new ATOM 0 HG21 ILE A 60 25.887 17.260 -15.919 1.00 0.29 H new ATOM 0 HG22 ILE A 60 27.105 16.546 -14.835 1.00 0.29 H new ATOM 0 HG23 ILE A 60 25.373 16.282 -14.524 1.00 0.29 H new ATOM 0 HD11 ILE A 60 23.324 19.628 -15.596 1.00 0.32 H new ATOM 0 HD12 ILE A 60 25.046 19.872 -15.973 1.00 0.32 H new ATOM 0 HD13 ILE A 60 24.324 18.252 -16.118 1.00 0.32 H new ATOM 950 N THR A 61 24.501 17.416 -11.106 1.00 0.21 N ATOM 951 CA THR A 61 23.431 16.538 -10.542 1.00 0.22 C ATOM 952 C THR A 61 22.194 16.635 -11.443 1.00 0.22 C ATOM 953 O THR A 61 21.595 17.686 -11.566 1.00 0.34 O ATOM 954 CB THR A 61 23.136 17.094 -9.142 1.00 0.28 C ATOM 955 OG1 THR A 61 24.341 17.144 -8.389 1.00 0.37 O ATOM 956 CG2 THR A 61 22.128 16.189 -8.429 1.00 0.34 C ATOM 0 H THR A 61 24.507 18.374 -10.755 1.00 0.21 H new ATOM 0 HA THR A 61 23.724 15.490 -10.487 1.00 0.22 H new ATOM 0 HB THR A 61 22.720 18.097 -9.233 1.00 0.28 H new ATOM 0 HG1 THR A 61 24.154 17.501 -7.496 1.00 0.37 H new ATOM 0 HG21 THR A 61 21.921 16.587 -7.436 1.00 0.34 H new ATOM 0 HG22 THR A 61 21.203 16.150 -9.004 1.00 0.34 H new ATOM 0 HG23 THR A 61 22.541 15.184 -8.339 1.00 0.34 H new ATOM 964 N ILE A 62 21.823 15.562 -12.098 1.00 0.22 N ATOM 965 CA ILE A 62 20.640 15.622 -13.013 1.00 0.22 C ATOM 966 C ILE A 62 19.573 14.596 -12.612 1.00 0.22 C ATOM 967 O ILE A 62 19.657 13.434 -12.958 1.00 0.27 O ATOM 968 CB ILE A 62 21.202 15.298 -14.407 1.00 0.23 C ATOM 969 CG1 ILE A 62 22.130 16.431 -14.872 1.00 0.26 C ATOM 970 CG2 ILE A 62 20.052 15.136 -15.408 1.00 0.27 C ATOM 971 CD1 ILE A 62 21.344 17.741 -14.988 1.00 0.34 C ATOM 0 H ILE A 62 22.284 14.654 -12.040 1.00 0.22 H new ATOM 0 HA ILE A 62 20.153 16.596 -12.977 1.00 0.22 H new ATOM 0 HB ILE A 62 21.767 14.368 -14.353 1.00 0.23 H new ATOM 0 HG12 ILE A 62 22.951 16.552 -14.166 1.00 0.26 H new ATOM 0 HG13 ILE A 62 22.573 16.177 -15.835 1.00 0.26 H new ATOM 0 HG21 ILE A 62 20.457 14.907 -16.394 1.00 0.27 H new ATOM 0 HG22 ILE A 62 19.401 14.324 -15.085 1.00 0.27 H new ATOM 0 HG23 ILE A 62 19.480 16.062 -15.458 1.00 0.27 H new ATOM 0 HD11 ILE A 62 22.011 18.537 -15.318 1.00 0.34 H new ATOM 0 HD12 ILE A 62 20.538 17.619 -15.712 1.00 0.34 H new ATOM 0 HD13 ILE A 62 20.923 18.000 -14.017 1.00 0.34 H new ATOM 983 N ASN A 63 18.552 15.021 -11.912 1.00 0.23 N ATOM 984 CA ASN A 63 17.468 14.069 -11.528 1.00 0.25 C ATOM 985 C ASN A 63 16.418 14.043 -12.645 1.00 0.25 C ATOM 986 O ASN A 63 15.447 14.776 -12.618 1.00 0.42 O ATOM 987 CB ASN A 63 16.876 14.615 -10.227 1.00 0.32 C ATOM 988 CG ASN A 63 15.961 13.557 -9.603 1.00 0.34 C ATOM 989 OD1 ASN A 63 14.712 13.488 -9.977 1.00 0.45 O flip ATOM 990 ND2 ASN A 63 16.389 12.785 -8.768 1.00 0.38 N flip ATOM 0 H ASN A 63 18.423 15.981 -11.592 1.00 0.23 H new ATOM 0 HA ASN A 63 17.828 13.050 -11.387 1.00 0.25 H new ATOM 0 HB2 ASN A 63 17.674 14.877 -9.533 1.00 0.32 H new ATOM 0 HB3 ASN A 63 16.314 15.528 -10.425 1.00 0.32 H new ATOM 0 HD21 ASN A 63 17.365 12.839 -8.476 1.00 0.38 H new ATOM 0 HD22 ASN A 63 15.772 12.083 -8.359 1.00 0.38 H new ATOM 997 N ALA A 64 16.627 13.218 -13.639 1.00 0.22 N ATOM 998 CA ALA A 64 15.662 13.154 -14.778 1.00 0.23 C ATOM 999 C ALA A 64 14.763 11.920 -14.668 1.00 0.22 C ATOM 1000 O ALA A 64 15.205 10.843 -14.313 1.00 0.24 O ATOM 1001 CB ALA A 64 16.538 13.067 -16.031 1.00 0.24 C ATOM 0 H ALA A 64 17.424 12.586 -13.711 1.00 0.22 H new ATOM 0 HA ALA A 64 14.998 14.018 -14.795 1.00 0.23 H new ATOM 0 HB1 ALA A 64 15.903 13.016 -16.916 1.00 0.24 H new ATOM 0 HB2 ALA A 64 17.175 13.949 -16.091 1.00 0.24 H new ATOM 0 HB3 ALA A 64 17.160 12.173 -15.979 1.00 0.24 H new ATOM 1007 N THR A 65 13.501 12.075 -14.985 1.00 0.24 N ATOM 1008 CA THR A 65 12.550 10.920 -14.920 1.00 0.25 C ATOM 1009 C THR A 65 12.755 9.969 -16.114 1.00 0.23 C ATOM 1010 O THR A 65 12.164 8.907 -16.171 1.00 0.26 O ATOM 1011 CB THR A 65 11.149 11.543 -14.965 1.00 0.31 C ATOM 1012 OG1 THR A 65 11.055 12.429 -16.074 1.00 0.35 O ATOM 1013 CG2 THR A 65 10.887 12.316 -13.668 1.00 0.38 C ATOM 0 H THR A 65 13.086 12.956 -15.288 1.00 0.24 H new ATOM 0 HA THR A 65 12.704 10.325 -14.020 1.00 0.25 H new ATOM 0 HB THR A 65 10.407 10.752 -15.070 1.00 0.31 H new ATOM 0 HG1 THR A 65 10.384 12.093 -16.705 1.00 0.35 H new ATOM 0 HG21 THR A 65 9.891 12.758 -13.703 1.00 0.38 H new ATOM 0 HG22 THR A 65 10.953 11.635 -12.819 1.00 0.38 H new ATOM 0 HG23 THR A 65 11.630 13.106 -13.559 1.00 0.38 H new ATOM 1021 N HIS A 66 13.586 10.338 -17.061 1.00 0.21 N ATOM 1022 CA HIS A 66 13.823 9.453 -18.242 1.00 0.21 C ATOM 1023 C HIS A 66 15.329 9.258 -18.473 1.00 0.21 C ATOM 1024 O HIS A 66 16.142 10.052 -18.036 1.00 0.23 O ATOM 1025 CB HIS A 66 13.187 10.189 -19.425 1.00 0.24 C ATOM 1026 CG HIS A 66 12.714 9.193 -20.451 1.00 0.27 C ATOM 1027 ND1 HIS A 66 12.428 9.559 -21.756 1.00 0.33 N ATOM 1028 CD2 HIS A 66 12.471 7.842 -20.381 1.00 0.38 C ATOM 1029 CE1 HIS A 66 12.034 8.452 -22.412 1.00 0.40 C ATOM 1030 NE2 HIS A 66 12.043 7.377 -21.619 1.00 0.45 N ATOM 0 H HIS A 66 14.109 11.214 -17.065 1.00 0.21 H new ATOM 0 HA HIS A 66 13.396 8.460 -18.103 1.00 0.21 H new ATOM 0 HB2 HIS A 66 12.349 10.795 -19.080 1.00 0.24 H new ATOM 0 HB3 HIS A 66 13.911 10.870 -19.873 1.00 0.24 H new ATOM 0 HD2 HIS A 66 12.594 7.233 -19.497 1.00 0.38 H new ATOM 0 HE1 HIS A 66 11.746 8.435 -23.453 1.00 0.40 H new ATOM 0 HE2 HIS A 66 11.790 6.421 -21.868 1.00 0.45 H new ATOM 1038 N ILE A 67 15.698 8.208 -19.162 1.00 0.26 N ATOM 1039 CA ILE A 67 17.145 7.947 -19.438 1.00 0.30 C ATOM 1040 C ILE A 67 17.659 8.930 -20.502 1.00 0.28 C ATOM 1041 O ILE A 67 18.705 9.530 -20.347 1.00 0.34 O ATOM 1042 CB ILE A 67 17.194 6.501 -19.950 1.00 0.38 C ATOM 1043 CG1 ILE A 67 17.122 5.539 -18.757 1.00 0.50 C ATOM 1044 CG2 ILE A 67 18.494 6.260 -20.721 1.00 0.45 C ATOM 1045 CD1 ILE A 67 15.956 4.567 -18.950 1.00 0.80 C ATOM 0 H ILE A 67 15.056 7.516 -19.548 1.00 0.26 H new ATOM 0 HA ILE A 67 17.774 8.081 -18.558 1.00 0.30 H new ATOM 0 HB ILE A 67 16.349 6.328 -20.616 1.00 0.38 H new ATOM 0 HG12 ILE A 67 18.057 4.987 -18.665 1.00 0.50 H new ATOM 0 HG13 ILE A 67 16.991 6.100 -17.832 1.00 0.50 H new ATOM 0 HG21 ILE A 67 18.519 5.231 -21.080 1.00 0.45 H new ATOM 0 HG22 ILE A 67 18.545 6.942 -21.570 1.00 0.45 H new ATOM 0 HG23 ILE A 67 19.345 6.435 -20.063 1.00 0.45 H new ATOM 0 HD11 ILE A 67 15.907 3.885 -18.101 1.00 0.80 H new ATOM 0 HD12 ILE A 67 15.023 5.127 -19.020 1.00 0.80 H new ATOM 0 HD13 ILE A 67 16.106 3.996 -19.866 1.00 0.80 H new ATOM 1057 N GLU A 68 16.925 9.099 -21.575 1.00 0.27 N ATOM 1058 CA GLU A 68 17.361 10.048 -22.652 1.00 0.29 C ATOM 1059 C GLU A 68 17.389 11.498 -22.132 1.00 0.26 C ATOM 1060 O GLU A 68 18.057 12.347 -22.694 1.00 0.32 O ATOM 1061 CB GLU A 68 16.325 9.899 -23.776 1.00 0.34 C ATOM 1062 CG GLU A 68 14.931 10.305 -23.274 1.00 0.36 C ATOM 1063 CD GLU A 68 14.569 11.694 -23.807 1.00 0.46 C ATOM 1064 OE1 GLU A 68 14.271 11.797 -24.985 1.00 0.73 O ATOM 1065 OE2 GLU A 68 14.591 12.632 -23.027 1.00 0.45 O ATOM 0 H GLU A 68 16.042 8.621 -21.753 1.00 0.27 H new ATOM 0 HA GLU A 68 18.370 9.823 -22.997 1.00 0.29 H new ATOM 0 HB2 GLU A 68 16.608 10.520 -24.626 1.00 0.34 H new ATOM 0 HB3 GLU A 68 16.306 8.868 -24.128 1.00 0.34 H new ATOM 0 HG2 GLU A 68 14.190 9.576 -23.602 1.00 0.36 H new ATOM 0 HG3 GLU A 68 14.914 10.308 -22.184 1.00 0.36 H new ATOM 1072 N GLN A 69 16.669 11.789 -21.068 1.00 0.22 N ATOM 1073 CA GLN A 69 16.655 13.182 -20.519 1.00 0.22 C ATOM 1074 C GLN A 69 18.068 13.602 -20.085 1.00 0.22 C ATOM 1075 O GLN A 69 18.564 14.636 -20.493 1.00 0.25 O ATOM 1076 CB GLN A 69 15.711 13.130 -19.315 1.00 0.22 C ATOM 1077 CG GLN A 69 15.203 14.539 -18.996 1.00 0.25 C ATOM 1078 CD GLN A 69 14.038 14.457 -18.004 1.00 0.28 C ATOM 1079 OE1 GLN A 69 14.100 15.021 -16.930 1.00 0.38 O ATOM 1080 NE2 GLN A 69 12.968 13.777 -18.320 1.00 0.37 N ATOM 0 H GLN A 69 16.092 11.120 -20.559 1.00 0.22 H new ATOM 0 HA GLN A 69 16.326 13.911 -21.260 1.00 0.22 H new ATOM 0 HB2 GLN A 69 14.870 12.470 -19.528 1.00 0.22 H new ATOM 0 HB3 GLN A 69 16.231 12.716 -18.451 1.00 0.22 H new ATOM 0 HG2 GLN A 69 16.009 15.140 -18.576 1.00 0.25 H new ATOM 0 HG3 GLN A 69 14.880 15.035 -19.911 1.00 0.25 H new ATOM 0 HE21 GLN A 69 12.913 13.302 -19.221 1.00 0.37 H new ATOM 0 HE22 GLN A 69 12.188 13.721 -17.666 1.00 0.37 H new ATOM 1089 N VAL A 70 18.720 12.808 -19.270 1.00 0.21 N ATOM 1090 CA VAL A 70 20.104 13.166 -18.824 1.00 0.22 C ATOM 1091 C VAL A 70 21.092 13.046 -19.998 1.00 0.22 C ATOM 1092 O VAL A 70 22.096 13.732 -20.037 1.00 0.24 O ATOM 1093 CB VAL A 70 20.452 12.181 -17.697 1.00 0.25 C ATOM 1094 CG1 VAL A 70 20.629 10.767 -18.257 1.00 0.29 C ATOM 1095 CG2 VAL A 70 21.752 12.625 -17.020 1.00 0.30 C ATOM 0 H VAL A 70 18.356 11.932 -18.896 1.00 0.21 H new ATOM 0 HA VAL A 70 20.164 14.196 -18.472 1.00 0.22 H new ATOM 0 HB VAL A 70 19.638 12.173 -16.972 1.00 0.25 H new ATOM 0 HG11 VAL A 70 20.875 10.082 -17.445 1.00 0.29 H new ATOM 0 HG12 VAL A 70 19.703 10.446 -18.734 1.00 0.29 H new ATOM 0 HG13 VAL A 70 21.435 10.765 -18.991 1.00 0.29 H new ATOM 0 HG21 VAL A 70 22.002 11.928 -16.220 1.00 0.30 H new ATOM 0 HG22 VAL A 70 22.558 12.639 -17.754 1.00 0.30 H new ATOM 0 HG23 VAL A 70 21.623 13.624 -16.604 1.00 0.30 H new ATOM 1105 N GLU A 71 20.809 12.194 -20.960 1.00 0.23 N ATOM 1106 CA GLU A 71 21.727 12.051 -22.133 1.00 0.24 C ATOM 1107 C GLU A 71 21.776 13.371 -22.909 1.00 0.23 C ATOM 1108 O GLU A 71 22.837 13.917 -23.151 1.00 0.24 O ATOM 1109 CB GLU A 71 21.122 10.939 -22.997 1.00 0.29 C ATOM 1110 CG GLU A 71 21.998 9.688 -22.909 1.00 0.35 C ATOM 1111 CD GLU A 71 21.459 8.760 -21.817 1.00 0.60 C ATOM 1112 OE1 GLU A 71 21.826 8.949 -20.670 1.00 0.92 O ATOM 1113 OE2 GLU A 71 20.683 7.878 -22.148 1.00 0.85 O ATOM 0 H GLU A 71 19.984 11.595 -20.981 1.00 0.23 H new ATOM 0 HA GLU A 71 22.747 11.809 -21.834 1.00 0.24 H new ATOM 0 HB2 GLU A 71 20.111 10.712 -22.660 1.00 0.29 H new ATOM 0 HB3 GLU A 71 21.046 11.270 -24.033 1.00 0.29 H new ATOM 0 HG2 GLU A 71 22.008 9.170 -23.868 1.00 0.35 H new ATOM 0 HG3 GLU A 71 23.028 9.968 -22.687 1.00 0.35 H new ATOM 1120 N THR A 72 20.632 13.899 -23.278 1.00 0.24 N ATOM 1121 CA THR A 72 20.610 15.202 -24.013 1.00 0.25 C ATOM 1122 C THR A 72 21.196 16.299 -23.117 1.00 0.23 C ATOM 1123 O THR A 72 21.899 17.176 -23.579 1.00 0.26 O ATOM 1124 CB THR A 72 19.133 15.487 -24.327 1.00 0.28 C ATOM 1125 OG1 THR A 72 18.354 15.355 -23.145 1.00 0.31 O ATOM 1126 CG2 THR A 72 18.630 14.500 -25.384 1.00 0.37 C ATOM 0 H THR A 72 19.717 13.485 -23.102 1.00 0.24 H new ATOM 0 HA THR A 72 21.202 15.170 -24.928 1.00 0.25 H new ATOM 0 HB THR A 72 19.040 16.504 -24.708 1.00 0.28 H new ATOM 0 HG1 THR A 72 17.577 15.950 -23.197 1.00 0.31 H new ATOM 0 HG21 THR A 72 17.582 14.705 -25.604 1.00 0.37 H new ATOM 0 HG22 THR A 72 19.220 14.609 -26.294 1.00 0.37 H new ATOM 0 HG23 THR A 72 18.729 13.482 -25.007 1.00 0.37 H new ATOM 1134 N LEU A 73 20.919 16.241 -21.833 1.00 0.21 N ATOM 1135 CA LEU A 73 21.468 17.265 -20.889 1.00 0.21 C ATOM 1136 C LEU A 73 23.003 17.209 -20.887 1.00 0.20 C ATOM 1137 O LEU A 73 23.663 18.230 -20.860 1.00 0.23 O ATOM 1138 CB LEU A 73 20.906 16.885 -19.511 1.00 0.22 C ATOM 1139 CG LEU A 73 19.719 17.792 -19.155 1.00 0.23 C ATOM 1140 CD1 LEU A 73 18.804 17.970 -20.370 1.00 0.24 C ATOM 1141 CD2 LEU A 73 18.915 17.155 -18.018 1.00 0.30 C ATOM 0 H LEU A 73 20.335 15.526 -21.400 1.00 0.21 H new ATOM 0 HA LEU A 73 21.188 18.280 -21.170 1.00 0.21 H new ATOM 0 HB2 LEU A 73 20.588 15.842 -19.514 1.00 0.22 H new ATOM 0 HB3 LEU A 73 21.685 16.979 -18.754 1.00 0.22 H new ATOM 0 HG LEU A 73 20.101 18.765 -18.846 1.00 0.23 H new ATOM 0 HD11 LEU A 73 17.967 18.615 -20.104 1.00 0.24 H new ATOM 0 HD12 LEU A 73 19.367 18.424 -21.186 1.00 0.24 H new ATOM 0 HD13 LEU A 73 18.426 16.998 -20.687 1.00 0.24 H new ATOM 0 HD21 LEU A 73 18.072 17.798 -17.764 1.00 0.30 H new ATOM 0 HD22 LEU A 73 18.545 16.180 -18.336 1.00 0.30 H new ATOM 0 HD23 LEU A 73 19.555 17.033 -17.144 1.00 0.30 H new ATOM 1153 N TYR A 74 23.571 16.023 -20.934 1.00 0.21 N ATOM 1154 CA TYR A 74 25.063 15.900 -20.957 1.00 0.22 C ATOM 1155 C TYR A 74 25.607 16.546 -22.241 1.00 0.22 C ATOM 1156 O TYR A 74 26.563 17.299 -22.208 1.00 0.24 O ATOM 1157 CB TYR A 74 25.351 14.379 -20.904 1.00 0.25 C ATOM 1158 CG TYR A 74 26.228 13.936 -22.064 1.00 0.26 C ATOM 1159 CD1 TYR A 74 27.529 14.441 -22.201 1.00 0.28 C ATOM 1160 CD2 TYR A 74 25.735 13.019 -23.002 1.00 0.33 C ATOM 1161 CE1 TYR A 74 28.331 14.032 -23.273 1.00 0.33 C ATOM 1162 CE2 TYR A 74 26.538 12.610 -24.073 1.00 0.38 C ATOM 1163 CZ TYR A 74 27.836 13.118 -24.210 1.00 0.38 C ATOM 1164 OH TYR A 74 28.626 12.718 -25.269 1.00 0.46 O ATOM 0 H TYR A 74 23.064 15.138 -20.957 1.00 0.21 H new ATOM 0 HA TYR A 74 25.547 16.409 -20.123 1.00 0.22 H new ATOM 0 HB2 TYR A 74 25.841 14.133 -19.962 1.00 0.25 H new ATOM 0 HB3 TYR A 74 24.410 13.829 -20.927 1.00 0.25 H new ATOM 0 HD1 TYR A 74 27.913 15.146 -21.479 1.00 0.28 H new ATOM 0 HD2 TYR A 74 24.734 12.627 -22.898 1.00 0.33 H new ATOM 0 HE1 TYR A 74 29.333 14.422 -23.377 1.00 0.33 H new ATOM 0 HE2 TYR A 74 26.156 11.902 -24.794 1.00 0.38 H new ATOM 0 HH TYR A 74 28.201 12.982 -26.112 1.00 0.46 H new ATOM 1174 N GLU A 75 25.000 16.256 -23.368 1.00 0.23 N ATOM 1175 CA GLU A 75 25.474 16.849 -24.656 1.00 0.24 C ATOM 1176 C GLU A 75 25.168 18.351 -24.707 1.00 0.22 C ATOM 1177 O GLU A 75 25.885 19.110 -25.333 1.00 0.29 O ATOM 1178 CB GLU A 75 24.697 16.105 -25.745 1.00 0.29 C ATOM 1179 CG GLU A 75 25.497 16.123 -27.050 1.00 0.36 C ATOM 1180 CD GLU A 75 26.706 15.191 -26.927 1.00 0.53 C ATOM 1181 OE1 GLU A 75 26.535 14.000 -27.127 1.00 0.69 O ATOM 1182 OE2 GLU A 75 27.784 15.685 -26.636 1.00 0.74 O ATOM 0 H GLU A 75 24.196 15.633 -23.450 1.00 0.23 H new ATOM 0 HA GLU A 75 26.552 16.747 -24.779 1.00 0.24 H new ATOM 0 HB2 GLU A 75 24.511 15.077 -25.435 1.00 0.29 H new ATOM 0 HB3 GLU A 75 23.724 16.573 -25.896 1.00 0.29 H new ATOM 0 HG2 GLU A 75 24.865 15.807 -27.880 1.00 0.36 H new ATOM 0 HG3 GLU A 75 25.829 17.138 -27.271 1.00 0.36 H new ATOM 1189 N GLU A 76 24.115 18.786 -24.058 1.00 0.20 N ATOM 1190 CA GLU A 76 23.765 20.240 -24.070 1.00 0.21 C ATOM 1191 C GLU A 76 24.767 21.038 -23.222 1.00 0.20 C ATOM 1192 O GLU A 76 25.333 22.011 -23.684 1.00 0.25 O ATOM 1193 CB GLU A 76 22.358 20.323 -23.478 1.00 0.22 C ATOM 1194 CG GLU A 76 21.323 20.084 -24.583 1.00 0.31 C ATOM 1195 CD GLU A 76 19.920 20.004 -23.970 1.00 0.32 C ATOM 1196 OE1 GLU A 76 19.524 18.917 -23.581 1.00 0.37 O ATOM 1197 OE2 GLU A 76 19.265 21.031 -23.902 1.00 0.43 O ATOM 0 H GLU A 76 23.482 18.195 -23.519 1.00 0.20 H new ATOM 0 HA GLU A 76 23.801 20.662 -25.074 1.00 0.21 H new ATOM 0 HB2 GLU A 76 22.240 19.581 -22.688 1.00 0.22 H new ATOM 0 HB3 GLU A 76 22.201 21.301 -23.023 1.00 0.22 H new ATOM 0 HG2 GLU A 76 21.365 20.891 -25.314 1.00 0.31 H new ATOM 0 HG3 GLU A 76 21.551 19.160 -25.114 1.00 0.31 H new ATOM 1204 N LEU A 77 25.004 20.629 -21.995 1.00 0.18 N ATOM 1205 CA LEU A 77 25.986 21.366 -21.138 1.00 0.19 C ATOM 1206 C LEU A 77 27.417 21.113 -21.643 1.00 0.19 C ATOM 1207 O LEU A 77 28.287 21.953 -21.507 1.00 0.24 O ATOM 1208 CB LEU A 77 25.782 20.836 -19.706 1.00 0.21 C ATOM 1209 CG LEU A 77 26.660 19.599 -19.444 1.00 0.21 C ATOM 1210 CD1 LEU A 77 28.020 20.039 -18.893 1.00 0.29 C ATOM 1211 CD2 LEU A 77 25.982 18.691 -18.416 1.00 0.25 C ATOM 0 H LEU A 77 24.562 19.822 -21.554 1.00 0.18 H new ATOM 0 HA LEU A 77 25.833 22.445 -21.169 1.00 0.19 H new ATOM 0 HB2 LEU A 77 26.026 21.618 -18.987 1.00 0.21 H new ATOM 0 HB3 LEU A 77 24.733 20.580 -19.555 1.00 0.21 H new ATOM 0 HG LEU A 77 26.797 19.058 -20.381 1.00 0.21 H new ATOM 0 HD11 LEU A 77 28.639 19.161 -18.709 1.00 0.29 H new ATOM 0 HD12 LEU A 77 28.514 20.686 -19.618 1.00 0.29 H new ATOM 0 HD13 LEU A 77 27.876 20.584 -17.960 1.00 0.29 H new ATOM 0 HD21 LEU A 77 26.607 17.817 -18.234 1.00 0.25 H new ATOM 0 HD22 LEU A 77 25.842 19.238 -17.483 1.00 0.25 H new ATOM 0 HD23 LEU A 77 25.012 18.370 -18.797 1.00 0.25 H new ATOM 1223 N GLY A 78 27.658 19.963 -22.232 1.00 0.20 N ATOM 1224 CA GLY A 78 29.019 19.646 -22.755 1.00 0.21 C ATOM 1225 C GLY A 78 29.032 19.822 -24.278 1.00 0.21 C ATOM 1226 O GLY A 78 29.534 18.983 -25.000 1.00 0.24 O ATOM 0 H GLY A 78 26.963 19.229 -22.371 1.00 0.20 H new ATOM 0 HA2 GLY A 78 29.759 20.301 -22.296 1.00 0.21 H new ATOM 0 HA3 GLY A 78 29.292 18.624 -22.493 1.00 0.21 H new ATOM 1230 N LYS A 79 28.482 20.907 -24.767 1.00 0.22 N ATOM 1231 CA LYS A 79 28.455 21.149 -26.245 1.00 0.24 C ATOM 1232 C LYS A 79 29.473 22.229 -26.645 1.00 0.25 C ATOM 1233 O LYS A 79 29.546 22.619 -27.795 1.00 0.29 O ATOM 1234 CB LYS A 79 27.030 21.626 -26.541 1.00 0.29 C ATOM 1235 CG LYS A 79 26.561 21.042 -27.877 1.00 0.43 C ATOM 1236 CD LYS A 79 25.071 21.339 -28.071 1.00 0.72 C ATOM 1237 CE LYS A 79 24.371 20.106 -28.655 1.00 0.99 C ATOM 1238 NZ LYS A 79 23.245 19.813 -27.722 1.00 1.48 N ATOM 0 H LYS A 79 28.049 21.639 -24.204 1.00 0.22 H new ATOM 0 HA LYS A 79 28.718 20.252 -26.806 1.00 0.24 H new ATOM 0 HB2 LYS A 79 26.358 21.316 -25.741 1.00 0.29 H new ATOM 0 HB3 LYS A 79 27.000 22.715 -26.578 1.00 0.29 H new ATOM 0 HG2 LYS A 79 27.138 21.472 -28.696 1.00 0.43 H new ATOM 0 HG3 LYS A 79 26.733 19.966 -27.896 1.00 0.43 H new ATOM 0 HD2 LYS A 79 24.617 21.610 -27.118 1.00 0.72 H new ATOM 0 HD3 LYS A 79 24.944 22.192 -28.738 1.00 0.72 H new ATOM 0 HE2 LYS A 79 24.006 20.302 -29.663 1.00 0.99 H new ATOM 0 HE3 LYS A 79 25.056 19.261 -28.723 1.00 0.99 H new ATOM 0 HZ1 LYS A 79 22.605 19.118 -28.157 1.00 1.48 H new ATOM 0 HZ2 LYS A 79 23.622 19.427 -26.833 1.00 1.48 H new ATOM 0 HZ3 LYS A 79 22.721 20.689 -27.524 1.00 1.48 H new ATOM 1252 N ILE A 80 30.253 22.718 -25.708 1.00 0.25 N ATOM 1253 CA ILE A 80 31.260 23.780 -26.034 1.00 0.30 C ATOM 1254 C ILE A 80 32.267 23.255 -27.067 1.00 0.30 C ATOM 1255 O ILE A 80 32.621 22.091 -27.063 1.00 0.31 O ATOM 1256 CB ILE A 80 31.971 24.097 -24.709 1.00 0.33 C ATOM 1257 CG1 ILE A 80 30.937 24.435 -23.626 1.00 0.34 C ATOM 1258 CG2 ILE A 80 32.908 25.293 -24.898 1.00 0.44 C ATOM 1259 CD1 ILE A 80 31.020 23.396 -22.506 1.00 0.35 C ATOM 0 H ILE A 80 30.235 22.427 -24.731 1.00 0.25 H new ATOM 0 HA ILE A 80 30.791 24.666 -26.461 1.00 0.30 H new ATOM 0 HB ILE A 80 32.547 23.224 -24.401 1.00 0.33 H new ATOM 0 HG12 ILE A 80 31.124 25.432 -23.227 1.00 0.34 H new ATOM 0 HG13 ILE A 80 29.935 24.446 -24.054 1.00 0.34 H new ATOM 0 HG21 ILE A 80 33.410 25.514 -23.956 1.00 0.44 H new ATOM 0 HG22 ILE A 80 33.652 25.056 -25.659 1.00 0.44 H new ATOM 0 HG23 ILE A 80 32.330 26.162 -25.214 1.00 0.44 H new ATOM 0 HD11 ILE A 80 30.287 23.633 -21.735 1.00 0.35 H new ATOM 0 HD12 ILE A 80 30.813 22.406 -22.912 1.00 0.35 H new ATOM 0 HD13 ILE A 80 32.020 23.408 -22.072 1.00 0.35 H new ATOM 1271 N ASP A 81 32.738 24.111 -27.942 1.00 0.34 N ATOM 1272 CA ASP A 81 33.734 23.669 -28.972 1.00 0.36 C ATOM 1273 C ASP A 81 35.039 23.208 -28.298 1.00 0.35 C ATOM 1274 O ASP A 81 35.812 22.466 -28.875 1.00 0.39 O ATOM 1275 CB ASP A 81 33.984 24.903 -29.844 1.00 0.43 C ATOM 1276 CG ASP A 81 34.583 24.474 -31.187 1.00 0.60 C ATOM 1277 OD1 ASP A 81 33.816 24.163 -32.084 1.00 0.82 O ATOM 1278 OD2 ASP A 81 35.799 24.463 -31.296 1.00 0.78 O ATOM 0 H ASP A 81 32.477 25.096 -27.988 1.00 0.34 H new ATOM 0 HA ASP A 81 33.369 22.825 -29.557 1.00 0.36 H new ATOM 0 HB2 ASP A 81 33.050 25.440 -30.007 1.00 0.43 H new ATOM 0 HB3 ASP A 81 34.662 25.589 -29.335 1.00 0.43 H new ATOM 1283 N ILE A 82 35.282 23.637 -27.080 1.00 0.33 N ATOM 1284 CA ILE A 82 36.528 23.223 -26.358 1.00 0.34 C ATOM 1285 C ILE A 82 36.429 21.740 -25.953 1.00 0.31 C ATOM 1286 O ILE A 82 35.396 21.115 -26.109 1.00 0.31 O ATOM 1287 CB ILE A 82 36.595 24.134 -25.117 1.00 0.37 C ATOM 1288 CG1 ILE A 82 36.517 25.612 -25.538 1.00 0.42 C ATOM 1289 CG2 ILE A 82 37.908 23.899 -24.367 1.00 0.44 C ATOM 1290 CD1 ILE A 82 37.596 25.924 -26.581 1.00 0.50 C ATOM 0 H ILE A 82 34.668 24.259 -26.554 1.00 0.33 H new ATOM 0 HA ILE A 82 37.422 23.323 -26.973 1.00 0.34 H new ATOM 0 HB ILE A 82 35.753 23.896 -24.468 1.00 0.37 H new ATOM 0 HG12 ILE A 82 35.531 25.829 -25.948 1.00 0.42 H new ATOM 0 HG13 ILE A 82 36.648 26.253 -24.666 1.00 0.42 H new ATOM 0 HG21 ILE A 82 37.948 24.547 -23.491 1.00 0.44 H new ATOM 0 HG22 ILE A 82 37.965 22.857 -24.051 1.00 0.44 H new ATOM 0 HG23 ILE A 82 38.748 24.125 -25.024 1.00 0.44 H new ATOM 0 HD11 ILE A 82 37.530 26.973 -26.870 1.00 0.50 H new ATOM 0 HD12 ILE A 82 38.580 25.726 -26.157 1.00 0.50 H new ATOM 0 HD13 ILE A 82 37.446 25.295 -27.459 1.00 0.50 H new ATOM 1302 N VAL A 83 37.499 21.172 -25.445 1.00 0.33 N ATOM 1303 CA VAL A 83 37.474 19.726 -25.041 1.00 0.34 C ATOM 1304 C VAL A 83 36.449 19.491 -23.920 1.00 0.30 C ATOM 1305 O VAL A 83 36.604 19.969 -22.810 1.00 0.33 O ATOM 1306 CB VAL A 83 38.898 19.423 -24.548 1.00 0.41 C ATOM 1307 CG1 VAL A 83 38.953 18.011 -23.955 1.00 0.46 C ATOM 1308 CG2 VAL A 83 39.879 19.515 -25.723 1.00 0.50 C ATOM 0 H VAL A 83 38.389 21.647 -25.292 1.00 0.33 H new ATOM 0 HA VAL A 83 37.182 19.078 -25.867 1.00 0.34 H new ATOM 0 HB VAL A 83 39.172 20.149 -23.783 1.00 0.41 H new ATOM 0 HG11 VAL A 83 39.965 17.802 -23.607 1.00 0.46 H new ATOM 0 HG12 VAL A 83 38.259 17.941 -23.117 1.00 0.46 H new ATOM 0 HG13 VAL A 83 38.674 17.285 -24.718 1.00 0.46 H new ATOM 0 HG21 VAL A 83 40.888 19.300 -25.372 1.00 0.50 H new ATOM 0 HG22 VAL A 83 39.599 18.791 -26.488 1.00 0.50 H new ATOM 0 HG23 VAL A 83 39.848 20.519 -26.145 1.00 0.50 H new ATOM 1318 N ARG A 84 35.404 18.750 -24.215 1.00 0.26 N ATOM 1319 CA ARG A 84 34.352 18.459 -23.188 1.00 0.25 C ATOM 1320 C ARG A 84 34.204 16.939 -22.988 1.00 0.24 C ATOM 1321 O ARG A 84 34.498 16.157 -23.873 1.00 0.33 O ATOM 1322 CB ARG A 84 33.058 19.064 -23.752 1.00 0.27 C ATOM 1323 CG ARG A 84 32.626 18.313 -25.018 1.00 0.27 C ATOM 1324 CD ARG A 84 32.438 19.309 -26.165 1.00 0.33 C ATOM 1325 NE ARG A 84 32.032 18.479 -27.336 1.00 0.43 N ATOM 1326 CZ ARG A 84 30.891 18.705 -27.934 1.00 0.64 C ATOM 1327 NH1 ARG A 84 30.759 19.745 -28.720 1.00 0.88 N ATOM 1328 NH2 ARG A 84 29.882 17.891 -27.748 1.00 1.01 N ATOM 0 H ARG A 84 35.235 18.332 -25.130 1.00 0.26 H new ATOM 0 HA ARG A 84 34.602 18.880 -22.214 1.00 0.25 H new ATOM 0 HB2 ARG A 84 32.268 19.012 -23.003 1.00 0.27 H new ATOM 0 HB3 ARG A 84 33.211 20.119 -23.981 1.00 0.27 H new ATOM 0 HG2 ARG A 84 33.377 17.570 -25.287 1.00 0.27 H new ATOM 0 HG3 ARG A 84 31.696 17.774 -24.834 1.00 0.27 H new ATOM 0 HD2 ARG A 84 31.676 20.050 -25.923 1.00 0.33 H new ATOM 0 HD3 ARG A 84 33.359 19.855 -26.369 1.00 0.33 H new ATOM 0 HE ARG A 84 32.644 17.735 -27.670 1.00 0.43 H new ATOM 0 HH11 ARG A 84 31.546 20.378 -28.865 1.00 0.88 H new ATOM 0 HH12 ARG A 84 29.869 19.922 -29.187 1.00 0.88 H new ATOM 0 HH21 ARG A 84 29.986 17.081 -27.137 1.00 1.01 H new ATOM 0 HH22 ARG A 84 28.992 18.067 -28.214 1.00 1.01 H new ATOM 1342 N MET A 85 33.749 16.520 -21.830 1.00 0.21 N ATOM 1343 CA MET A 85 33.576 15.056 -21.559 1.00 0.22 C ATOM 1344 C MET A 85 32.529 14.846 -20.456 1.00 0.21 C ATOM 1345 O MET A 85 32.242 15.747 -19.693 1.00 0.27 O ATOM 1346 CB MET A 85 34.951 14.572 -21.089 1.00 0.26 C ATOM 1347 CG MET A 85 35.164 13.129 -21.546 1.00 0.36 C ATOM 1348 SD MET A 85 36.308 12.298 -20.414 1.00 0.45 S ATOM 1349 CE MET A 85 35.099 11.866 -19.137 1.00 0.65 C ATOM 0 H MET A 85 33.489 17.133 -21.057 1.00 0.21 H new ATOM 0 HA MET A 85 33.231 14.511 -22.438 1.00 0.22 H new ATOM 0 HB2 MET A 85 35.733 15.213 -21.496 1.00 0.26 H new ATOM 0 HB3 MET A 85 35.019 14.635 -20.003 1.00 0.26 H new ATOM 0 HG2 MET A 85 34.211 12.600 -21.570 1.00 0.36 H new ATOM 0 HG3 MET A 85 35.563 13.113 -22.560 1.00 0.36 H new ATOM 0 HE1 MET A 85 35.578 11.894 -18.158 1.00 0.65 H new ATOM 0 HE2 MET A 85 34.276 12.580 -19.159 1.00 0.65 H new ATOM 0 HE3 MET A 85 34.715 10.863 -19.324 1.00 0.65 H new ATOM 1359 N VAL A 86 31.957 13.665 -20.365 1.00 0.24 N ATOM 1360 CA VAL A 86 30.927 13.405 -19.305 1.00 0.25 C ATOM 1361 C VAL A 86 31.221 12.090 -18.566 1.00 0.25 C ATOM 1362 O VAL A 86 31.765 11.158 -19.129 1.00 0.28 O ATOM 1363 CB VAL A 86 29.585 13.329 -20.050 1.00 0.28 C ATOM 1364 CG1 VAL A 86 29.492 12.025 -20.851 1.00 0.34 C ATOM 1365 CG2 VAL A 86 28.437 13.384 -19.036 1.00 0.34 C ATOM 0 H VAL A 86 32.158 12.874 -20.976 1.00 0.24 H new ATOM 0 HA VAL A 86 30.922 14.187 -18.546 1.00 0.25 H new ATOM 0 HB VAL A 86 29.515 14.172 -20.737 1.00 0.28 H new ATOM 0 HG11 VAL A 86 28.536 11.986 -21.373 1.00 0.34 H new ATOM 0 HG12 VAL A 86 30.304 11.985 -21.577 1.00 0.34 H new ATOM 0 HG13 VAL A 86 29.570 11.175 -20.173 1.00 0.34 H new ATOM 0 HG21 VAL A 86 27.484 13.330 -19.562 1.00 0.34 H new ATOM 0 HG22 VAL A 86 28.519 12.543 -18.347 1.00 0.34 H new ATOM 0 HG23 VAL A 86 28.490 14.318 -18.476 1.00 0.34 H new ATOM 1375 N LEU A 87 30.857 12.022 -17.303 1.00 0.26 N ATOM 1376 CA LEU A 87 31.093 10.786 -16.485 1.00 0.29 C ATOM 1377 C LEU A 87 32.558 10.324 -16.608 1.00 0.32 C ATOM 1378 O LEU A 87 33.423 11.057 -16.156 1.00 0.39 O ATOM 1379 CB LEU A 87 30.117 9.738 -17.043 1.00 0.29 C ATOM 1380 CG LEU A 87 28.675 10.154 -16.728 1.00 0.31 C ATOM 1381 CD1 LEU A 87 27.712 9.421 -17.664 1.00 0.39 C ATOM 1382 CD2 LEU A 87 28.344 9.797 -15.275 1.00 0.34 C ATOM 1383 OXT LEU A 87 32.793 9.252 -17.146 1.00 0.45 O ATOM 0 H LEU A 87 30.400 12.782 -16.799 1.00 0.26 H new ATOM 0 HA LEU A 87 30.923 10.956 -15.422 1.00 0.29 H new ATOM 0 HB2 LEU A 87 30.250 9.640 -18.120 1.00 0.29 H new ATOM 0 HB3 LEU A 87 30.328 8.762 -16.606 1.00 0.29 H new ATOM 0 HG LEU A 87 28.571 11.230 -16.871 1.00 0.31 H new ATOM 0 HD11 LEU A 87 26.688 9.718 -17.438 1.00 0.39 H new ATOM 0 HD12 LEU A 87 27.944 9.676 -18.698 1.00 0.39 H new ATOM 0 HD13 LEU A 87 27.817 8.345 -17.524 1.00 0.39 H new ATOM 0 HD21 LEU A 87 27.319 10.093 -15.052 1.00 0.34 H new ATOM 0 HD22 LEU A 87 28.451 8.722 -15.131 1.00 0.34 H new ATOM 0 HD23 LEU A 87 29.027 10.322 -14.607 1.00 0.34 H new TER 1395 LEU A 87