USER MOD reduce.3.24.130724 H: found=0, std=0, add=1036, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1037 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 111 ASN : amide:sc= 1.16 K(o=1.4,f=-2.7!) USER MOD Set 1.2: A 113 THR OG1 : rot 147:sc= -0.239 USER MOD Set 1.3: A 141 THR OG1 : rot -87:sc= 0.458 USER MOD Set 2.1: A 85 TYR OH : rot -16:sc= 0.459 USER MOD Set 2.2: A 125 ASN : amide:sc= 0.412 K(o=0.87,f=-1.9) USER MOD Set 3.1: A 64 LYS NZ :NH3+ -170:sc= -0.0304 (180deg=-0.155) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= -0.0212 USER MOD Set 4.1: A 53 LYS NZ :NH3+ -154:sc= 0.291 (180deg=-0.174) USER MOD Set 4.2: A 81 ASN : amide:sc= -0.0364 K(o=0.25,f=-5.4) USER MOD Single : A 4 GLN : amide:sc= -0.544 K(o=-0.54,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= -0.565 (180deg=-0.744) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 18 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.26) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.886 K(o=-0.89,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.0242 K(o=-0.024,f=-2.4!) USER MOD Single : A 39 GLN : amide:sc= -1.83! K(o=-1.8!,f=-0.075) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -4.51! (180deg=-5.41!) USER MOD Single : A 46 THR OG1 : rot -23:sc= 0.424 USER MOD Single : A 48 ASN : amide:sc= 0.0807 K(o=0.081,f=-2.9!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 58 SER OG : rot -85:sc= 0.0815 USER MOD Single : A 60 ASN : amide:sc= -0.784 K(o=-0.78,f=-3.3!) USER MOD Single : A 61 ASN : amide:sc= -0.475 X(o=-0.47,f=-0.027) USER MOD Single : A 68 ASN : amide:sc= -0.0942! X(o=-0.094!,f=-0.083) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.309 X(o=0.31,f=0) USER MOD Single : A 75 SER OG : rot -111:sc= 0.288 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 83:sc= 0.985 USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= -0.662 (180deg=-1.51!) USER MOD Single : A 87 ASN : amide:sc= -0.0129 K(o=-0.013,f=-0.71) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.024 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.078) USER MOD Single : A 104 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.1!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.996 K(o=-1,f=-12!) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.748 USER MOD Single : A 112 TYR OH : rot -131:sc= -0.249 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0319) USER MOD Single : A 126 LYS NZ :NH3+ -146:sc= -0.32 (180deg=-1.86!) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot -151:sc= 0.771 USER MOD Single : A 134 THR OG1 : rot 43:sc= 0.23 USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00884) USER MOD Single : A 143 THR OG1 : rot -160:sc= -0.704 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 3 -17.322 1.866 -7.119 1.00 1.08 N ATOM 32 CA CYS A 3 -16.287 2.666 -6.504 1.00 0.96 C ATOM 33 C CYS A 3 -14.965 2.470 -7.230 1.00 0.83 C ATOM 34 O CYS A 3 -14.365 1.393 -7.184 1.00 0.96 O ATOM 35 CB CYS A 3 -16.140 2.303 -5.029 1.00 1.25 C ATOM 36 SG CYS A 3 -14.896 3.286 -4.131 1.00 1.43 S ATOM 0 HA CYS A 3 -16.572 3.716 -6.577 1.00 0.96 H new ATOM 0 HB2 CYS A 3 -17.106 2.427 -4.539 1.00 1.25 H new ATOM 0 HB3 CYS A 3 -15.876 1.248 -4.952 1.00 1.25 H new ATOM 41 N GLN A 4 -14.535 3.504 -7.924 1.00 0.67 N ATOM 42 CA GLN A 4 -13.255 3.494 -8.597 1.00 0.59 C ATOM 43 C GLN A 4 -12.229 4.217 -7.736 1.00 0.54 C ATOM 44 O GLN A 4 -12.452 5.350 -7.312 1.00 0.53 O ATOM 45 CB GLN A 4 -13.360 4.165 -9.963 1.00 0.59 C ATOM 46 CG GLN A 4 -12.027 4.240 -10.689 1.00 1.45 C ATOM 47 CD GLN A 4 -12.086 5.024 -11.984 1.00 1.65 C ATOM 48 OE1 GLN A 4 -11.103 5.654 -12.380 1.00 2.29 O ATOM 49 NE2 GLN A 4 -13.221 4.984 -12.662 1.00 1.92 N ATOM 0 H GLN A 4 -15.061 4.371 -8.036 1.00 0.67 H new ATOM 0 HA GLN A 4 -12.941 2.461 -8.749 1.00 0.59 H new ATOM 0 HB2 GLN A 4 -14.073 3.616 -10.578 1.00 0.59 H new ATOM 0 HB3 GLN A 4 -13.757 5.172 -9.838 1.00 0.59 H new ATOM 0 HG2 GLN A 4 -11.289 4.698 -10.030 1.00 1.45 H new ATOM 0 HG3 GLN A 4 -11.681 3.228 -10.902 1.00 1.45 H new ATOM 0 HE21 GLN A 4 -14.012 4.451 -12.301 1.00 1.92 H new ATOM 0 HE22 GLN A 4 -13.305 5.486 -13.546 1.00 1.92 H new ATOM 58 N VAL A 5 -11.110 3.568 -7.488 1.00 0.56 N ATOM 59 CA VAL A 5 -10.089 4.124 -6.623 1.00 0.57 C ATOM 60 C VAL A 5 -8.926 4.626 -7.467 1.00 0.57 C ATOM 61 O VAL A 5 -8.514 3.964 -8.413 1.00 0.66 O ATOM 62 CB VAL A 5 -9.591 3.067 -5.609 1.00 0.68 C ATOM 63 CG1 VAL A 5 -8.563 3.659 -4.663 1.00 1.00 C ATOM 64 CG2 VAL A 5 -10.759 2.481 -4.831 1.00 1.51 C ATOM 0 H VAL A 5 -10.884 2.652 -7.875 1.00 0.56 H new ATOM 0 HA VAL A 5 -10.519 4.955 -6.064 1.00 0.57 H new ATOM 0 HB VAL A 5 -9.110 2.265 -6.168 1.00 0.68 H new ATOM 0 HG11 VAL A 5 -8.231 2.894 -3.962 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.709 4.023 -5.235 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.010 4.487 -4.112 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -10.389 1.740 -4.123 1.00 1.51 H new ATOM 0 HG22 VAL A 5 -11.271 3.276 -4.289 1.00 1.51 H new ATOM 0 HG23 VAL A 5 -11.455 2.006 -5.522 1.00 1.51 H new ATOM 74 N ARG A 6 -8.425 5.809 -7.160 1.00 0.57 N ATOM 75 CA ARG A 6 -7.308 6.362 -7.910 1.00 0.64 C ATOM 76 C ARG A 6 -5.981 6.003 -7.256 1.00 0.58 C ATOM 77 O ARG A 6 -5.589 6.592 -6.250 1.00 0.65 O ATOM 78 CB ARG A 6 -7.440 7.881 -8.047 1.00 0.80 C ATOM 79 CG ARG A 6 -6.257 8.549 -8.741 1.00 1.47 C ATOM 80 CD ARG A 6 -6.410 8.572 -10.260 1.00 1.67 C ATOM 81 NE ARG A 6 -6.661 7.247 -10.824 1.00 1.92 N ATOM 82 CZ ARG A 6 -5.979 6.724 -11.843 1.00 2.75 C ATOM 83 NH1 ARG A 6 -4.997 7.408 -12.418 1.00 3.23 N ATOM 84 NH2 ARG A 6 -6.286 5.512 -12.287 1.00 3.57 N ATOM 0 H ARG A 6 -8.769 6.402 -6.404 1.00 0.57 H new ATOM 0 HA ARG A 6 -7.328 5.923 -8.908 1.00 0.64 H new ATOM 0 HB2 ARG A 6 -8.349 8.107 -8.604 1.00 0.80 H new ATOM 0 HB3 ARG A 6 -7.558 8.316 -7.054 1.00 0.80 H new ATOM 0 HG2 ARG A 6 -6.153 9.570 -8.374 1.00 1.47 H new ATOM 0 HG3 ARG A 6 -5.340 8.021 -8.479 1.00 1.47 H new ATOM 0 HD2 ARG A 6 -7.231 9.237 -10.528 1.00 1.67 H new ATOM 0 HD3 ARG A 6 -5.506 8.986 -10.706 1.00 1.67 H new ATOM 0 HE ARG A 6 -7.406 6.686 -10.411 1.00 1.92 H new ATOM 0 HH11 ARG A 6 -4.760 8.341 -12.080 1.00 3.23 H new ATOM 0 HH12 ARG A 6 -4.480 7.001 -13.197 1.00 3.23 H new ATOM 0 HH21 ARG A 6 -7.041 4.984 -11.849 1.00 3.57 H new ATOM 0 HH22 ARG A 6 -5.767 5.108 -13.066 1.00 3.57 H new ATOM 98 N VAL A 7 -5.316 5.006 -7.819 1.00 0.58 N ATOM 99 CA VAL A 7 -3.970 4.636 -7.407 1.00 0.57 C ATOM 100 C VAL A 7 -3.088 4.541 -8.639 1.00 0.68 C ATOM 101 O VAL A 7 -3.320 3.701 -9.513 1.00 0.85 O ATOM 102 CB VAL A 7 -3.936 3.291 -6.640 1.00 0.64 C ATOM 103 CG1 VAL A 7 -2.501 2.850 -6.373 1.00 1.20 C ATOM 104 CG2 VAL A 7 -4.703 3.405 -5.330 1.00 1.26 C ATOM 0 H VAL A 7 -5.693 4.431 -8.573 1.00 0.58 H new ATOM 0 HA VAL A 7 -3.604 5.405 -6.726 1.00 0.57 H new ATOM 0 HB VAL A 7 -4.415 2.536 -7.264 1.00 0.64 H new ATOM 0 HG11 VAL A 7 -2.506 1.903 -5.833 1.00 1.20 H new ATOM 0 HG12 VAL A 7 -1.977 2.725 -7.320 1.00 1.20 H new ATOM 0 HG13 VAL A 7 -1.993 3.606 -5.774 1.00 1.20 H new ATOM 0 HG21 VAL A 7 -4.669 2.451 -4.804 1.00 1.26 H new ATOM 0 HG22 VAL A 7 -4.250 4.178 -4.709 1.00 1.26 H new ATOM 0 HG23 VAL A 7 -5.740 3.668 -5.537 1.00 1.26 H new ATOM 114 N GLY A 8 -2.100 5.416 -8.718 1.00 0.77 N ATOM 115 CA GLY A 8 -1.234 5.452 -9.871 1.00 0.96 C ATOM 116 C GLY A 8 0.230 5.368 -9.496 1.00 0.75 C ATOM 117 O GLY A 8 0.592 4.737 -8.503 1.00 0.86 O ATOM 0 H GLY A 8 -1.883 6.105 -7.998 1.00 0.77 H new ATOM 0 HA2 GLY A 8 -1.484 4.625 -10.536 1.00 0.96 H new ATOM 0 HA3 GLY A 8 -1.412 6.373 -10.427 1.00 0.96 H new ATOM 121 N ASP A 9 1.071 6.018 -10.281 1.00 0.57 N ATOM 122 CA ASP A 9 2.511 5.966 -10.075 1.00 0.45 C ATOM 123 C ASP A 9 2.991 7.124 -9.212 1.00 0.50 C ATOM 124 O ASP A 9 2.492 8.248 -9.315 1.00 0.73 O ATOM 125 CB ASP A 9 3.236 5.962 -11.423 1.00 0.56 C ATOM 126 CG ASP A 9 4.652 6.505 -11.345 1.00 1.37 C ATOM 127 OD1 ASP A 9 5.549 5.768 -10.876 1.00 2.18 O ATOM 128 OD2 ASP A 9 4.880 7.665 -11.742 1.00 1.77 O ATOM 0 H ASP A 9 0.781 6.592 -11.073 1.00 0.57 H new ATOM 0 HA ASP A 9 2.744 5.042 -9.545 1.00 0.45 H new ATOM 0 HB2 ASP A 9 3.266 4.943 -11.809 1.00 0.56 H new ATOM 0 HB3 ASP A 9 2.665 6.556 -12.137 1.00 0.56 H new ATOM 133 N LEU A 10 3.954 6.829 -8.357 1.00 0.52 N ATOM 134 CA LEU A 10 4.559 7.823 -7.488 1.00 0.65 C ATOM 135 C LEU A 10 5.984 7.409 -7.151 1.00 0.49 C ATOM 136 O LEU A 10 6.223 6.304 -6.663 1.00 0.57 O ATOM 137 CB LEU A 10 3.741 8.004 -6.204 1.00 0.95 C ATOM 138 CG LEU A 10 3.385 6.710 -5.470 1.00 0.76 C ATOM 139 CD1 LEU A 10 3.563 6.887 -3.971 1.00 1.05 C ATOM 140 CD2 LEU A 10 1.955 6.299 -5.783 1.00 1.41 C ATOM 0 H LEU A 10 4.339 5.891 -8.245 1.00 0.52 H new ATOM 0 HA LEU A 10 4.575 8.778 -8.013 1.00 0.65 H new ATOM 0 HB2 LEU A 10 4.300 8.647 -5.524 1.00 0.95 H new ATOM 0 HB3 LEU A 10 2.818 8.528 -6.451 1.00 0.95 H new ATOM 0 HG LEU A 10 4.057 5.923 -5.812 1.00 0.76 H new ATOM 0 HD11 LEU A 10 3.306 5.958 -3.462 1.00 1.05 H new ATOM 0 HD12 LEU A 10 4.600 7.144 -3.756 1.00 1.05 H new ATOM 0 HD13 LEU A 10 2.911 7.686 -3.619 1.00 1.05 H new ATOM 0 HD21 LEU A 10 1.717 5.377 -5.253 1.00 1.41 H new ATOM 0 HD22 LEU A 10 1.272 7.087 -5.465 1.00 1.41 H new ATOM 0 HD23 LEU A 10 1.849 6.139 -6.856 1.00 1.41 H new ATOM 152 N THR A 11 6.926 8.285 -7.432 1.00 0.49 N ATOM 153 CA THR A 11 8.327 8.000 -7.195 1.00 0.47 C ATOM 154 C THR A 11 8.900 8.947 -6.146 1.00 0.53 C ATOM 155 O THR A 11 8.945 10.161 -6.348 1.00 0.66 O ATOM 156 CB THR A 11 9.132 8.123 -8.501 1.00 0.63 C ATOM 157 OG1 THR A 11 8.525 7.312 -9.518 1.00 1.03 O ATOM 158 CG2 THR A 11 10.578 7.694 -8.297 1.00 0.99 C ATOM 0 H THR A 11 6.745 9.208 -7.828 1.00 0.49 H new ATOM 0 HA THR A 11 8.404 6.977 -6.826 1.00 0.47 H new ATOM 0 HB THR A 11 9.127 9.168 -8.810 1.00 0.63 H new ATOM 0 HG1 THR A 11 9.037 7.392 -10.350 1.00 1.03 H new ATOM 0 HG21 THR A 11 11.122 7.791 -9.236 1.00 0.99 H new ATOM 0 HG22 THR A 11 11.042 8.327 -7.541 1.00 0.99 H new ATOM 0 HG23 THR A 11 10.606 6.655 -7.967 1.00 0.99 H new ATOM 166 N VAL A 12 9.326 8.390 -5.020 1.00 0.52 N ATOM 167 CA VAL A 12 9.890 9.193 -3.947 1.00 0.63 C ATOM 168 C VAL A 12 11.307 8.735 -3.638 1.00 0.48 C ATOM 169 O VAL A 12 11.527 7.600 -3.212 1.00 0.57 O ATOM 170 CB VAL A 12 9.040 9.123 -2.659 1.00 0.82 C ATOM 171 CG1 VAL A 12 9.572 10.094 -1.615 1.00 1.45 C ATOM 172 CG2 VAL A 12 7.575 9.409 -2.953 1.00 1.45 C ATOM 0 H VAL A 12 9.291 7.389 -4.828 1.00 0.52 H new ATOM 0 HA VAL A 12 9.897 10.227 -4.291 1.00 0.63 H new ATOM 0 HB VAL A 12 9.113 8.110 -2.263 1.00 0.82 H new ATOM 0 HG11 VAL A 12 8.961 10.031 -0.715 1.00 1.45 H new ATOM 0 HG12 VAL A 12 10.603 9.838 -1.372 1.00 1.45 H new ATOM 0 HG13 VAL A 12 9.533 11.109 -2.009 1.00 1.45 H new ATOM 0 HG21 VAL A 12 7.001 9.353 -2.028 1.00 1.45 H new ATOM 0 HG22 VAL A 12 7.478 10.407 -3.381 1.00 1.45 H new ATOM 0 HG23 VAL A 12 7.195 8.672 -3.661 1.00 1.45 H new ATOM 182 N ALA A 13 12.262 9.624 -3.854 1.00 0.44 N ATOM 183 CA ALA A 13 13.667 9.304 -3.657 1.00 0.43 C ATOM 184 C ALA A 13 14.075 9.460 -2.194 1.00 0.45 C ATOM 185 O ALA A 13 14.154 10.577 -1.674 1.00 0.57 O ATOM 186 CB ALA A 13 14.532 10.179 -4.545 1.00 0.59 C ATOM 0 H ALA A 13 12.089 10.579 -4.168 1.00 0.44 H new ATOM 0 HA ALA A 13 13.817 8.260 -3.933 1.00 0.43 H new ATOM 0 HB1 ALA A 13 15.582 9.931 -4.389 1.00 0.59 H new ATOM 0 HB2 ALA A 13 14.270 10.009 -5.589 1.00 0.59 H new ATOM 0 HB3 ALA A 13 14.366 11.227 -4.295 1.00 0.59 H new ATOM 192 N LYS A 14 14.320 8.332 -1.542 1.00 0.43 N ATOM 193 CA LYS A 14 14.761 8.297 -0.148 1.00 0.50 C ATOM 194 C LYS A 14 15.222 6.893 0.221 1.00 0.41 C ATOM 195 O LYS A 14 15.129 5.971 -0.585 1.00 0.41 O ATOM 196 CB LYS A 14 13.658 8.778 0.823 1.00 0.67 C ATOM 197 CG LYS A 14 12.241 8.416 0.405 1.00 1.47 C ATOM 198 CD LYS A 14 11.991 6.922 0.459 1.00 2.23 C ATOM 199 CE LYS A 14 10.748 6.559 -0.327 1.00 2.52 C ATOM 200 NZ LYS A 14 9.528 7.181 0.248 1.00 3.42 N ATOM 0 H LYS A 14 14.219 7.409 -1.964 1.00 0.43 H new ATOM 0 HA LYS A 14 15.599 8.987 -0.050 1.00 0.50 H new ATOM 0 HB2 LYS A 14 13.851 8.355 1.809 1.00 0.67 H new ATOM 0 HB3 LYS A 14 13.727 9.861 0.922 1.00 0.67 H new ATOM 0 HG2 LYS A 14 11.531 8.925 1.057 1.00 1.47 H new ATOM 0 HG3 LYS A 14 12.060 8.776 -0.608 1.00 1.47 H new ATOM 0 HD2 LYS A 14 12.852 6.389 0.055 1.00 2.23 H new ATOM 0 HD3 LYS A 14 11.878 6.604 1.496 1.00 2.23 H new ATOM 0 HE2 LYS A 14 10.866 6.880 -1.362 1.00 2.52 H new ATOM 0 HE3 LYS A 14 10.631 5.475 -0.341 1.00 2.52 H new ATOM 0 HZ1 LYS A 14 8.720 7.007 -0.383 1.00 3.42 H new ATOM 0 HZ2 LYS A 14 9.334 6.766 1.182 1.00 3.42 H new ATOM 0 HZ3 LYS A 14 9.675 8.206 0.348 1.00 3.42 H new ATOM 214 N THR A 15 15.726 6.742 1.432 1.00 0.46 N ATOM 215 CA THR A 15 16.183 5.451 1.912 1.00 0.44 C ATOM 216 C THR A 15 15.141 4.815 2.823 1.00 0.44 C ATOM 217 O THR A 15 14.125 5.432 3.149 1.00 0.50 O ATOM 218 CB THR A 15 17.503 5.590 2.695 1.00 0.49 C ATOM 219 OG1 THR A 15 17.336 6.529 3.765 1.00 0.63 O ATOM 220 CG2 THR A 15 18.630 6.045 1.783 1.00 0.52 C ATOM 0 H THR A 15 15.830 7.502 2.104 1.00 0.46 H new ATOM 0 HA THR A 15 16.343 4.818 1.039 1.00 0.44 H new ATOM 0 HB THR A 15 17.764 4.614 3.104 1.00 0.49 H new ATOM 0 HG1 THR A 15 18.177 6.613 4.261 1.00 0.63 H new ATOM 0 HG21 THR A 15 19.551 6.135 2.360 1.00 0.52 H new ATOM 0 HG22 THR A 15 18.771 5.314 0.987 1.00 0.52 H new ATOM 0 HG23 THR A 15 18.378 7.012 1.348 1.00 0.52 H new ATOM 228 N ARG A 16 15.402 3.586 3.240 1.00 0.40 N ATOM 229 CA ARG A 16 14.563 2.924 4.225 1.00 0.43 C ATOM 230 C ARG A 16 15.017 3.345 5.619 1.00 0.46 C ATOM 231 O ARG A 16 14.396 2.999 6.622 1.00 0.55 O ATOM 232 CB ARG A 16 14.652 1.400 4.086 1.00 0.50 C ATOM 233 CG ARG A 16 14.404 0.886 2.674 1.00 0.57 C ATOM 234 CD ARG A 16 15.409 -0.188 2.275 1.00 0.68 C ATOM 235 NE ARG A 16 14.816 -1.182 1.390 1.00 1.22 N ATOM 236 CZ ARG A 16 14.653 -2.475 1.708 1.00 2.43 C ATOM 237 NH1 ARG A 16 15.098 -2.937 2.872 1.00 3.01 N ATOM 238 NH2 ARG A 16 14.056 -3.304 0.858 1.00 3.14 N ATOM 0 H ARG A 16 16.189 3.027 2.911 1.00 0.40 H new ATOM 0 HA ARG A 16 13.525 3.216 4.063 1.00 0.43 H new ATOM 0 HB2 ARG A 16 15.640 1.074 4.411 1.00 0.50 H new ATOM 0 HB3 ARG A 16 13.928 0.942 4.760 1.00 0.50 H new ATOM 0 HG2 ARG A 16 13.394 0.481 2.607 1.00 0.57 H new ATOM 0 HG3 ARG A 16 14.461 1.716 1.970 1.00 0.57 H new ATOM 0 HD2 ARG A 16 16.261 0.278 1.780 1.00 0.68 H new ATOM 0 HD3 ARG A 16 15.790 -0.680 3.170 1.00 0.68 H new ATOM 0 HE ARG A 16 14.505 -0.875 0.469 1.00 1.22 H new ATOM 0 HH11 ARG A 16 15.565 -2.308 3.526 1.00 3.01 H new ATOM 0 HH12 ARG A 16 14.973 -3.921 3.112 1.00 3.01 H new ATOM 0 HH21 ARG A 16 13.720 -2.958 -0.041 1.00 3.14 H new ATOM 0 HH22 ARG A 16 13.934 -4.286 1.104 1.00 3.14 H new ATOM 252 N GLY A 17 16.125 4.084 5.654 1.00 0.47 N ATOM 253 CA GLY A 17 16.653 4.603 6.899 1.00 0.58 C ATOM 254 C GLY A 17 16.080 5.967 7.221 1.00 0.61 C ATOM 255 O GLY A 17 16.087 6.399 8.374 1.00 0.75 O ATOM 0 H GLY A 17 16.670 4.333 4.829 1.00 0.47 H new ATOM 0 HA2 GLY A 17 16.424 3.911 7.709 1.00 0.58 H new ATOM 0 HA3 GLY A 17 17.739 4.670 6.835 1.00 0.58 H new ATOM 259 N GLN A 18 15.596 6.652 6.189 1.00 0.58 N ATOM 260 CA GLN A 18 14.863 7.896 6.376 1.00 0.70 C ATOM 261 C GLN A 18 13.529 7.582 7.045 1.00 0.64 C ATOM 262 O GLN A 18 12.937 8.417 7.729 1.00 0.72 O ATOM 263 CB GLN A 18 14.641 8.599 5.033 1.00 0.86 C ATOM 264 CG GLN A 18 14.034 9.988 5.163 1.00 1.02 C ATOM 265 CD GLN A 18 14.930 10.954 5.916 1.00 1.49 C ATOM 266 OE1 GLN A 18 14.847 11.074 7.139 1.00 2.00 O ATOM 267 NE2 GLN A 18 15.784 11.655 5.191 1.00 2.17 N ATOM 0 H GLN A 18 15.699 6.365 5.216 1.00 0.58 H new ATOM 0 HA GLN A 18 15.441 8.569 7.010 1.00 0.70 H new ATOM 0 HB2 GLN A 18 15.595 8.676 4.511 1.00 0.86 H new ATOM 0 HB3 GLN A 18 13.988 7.983 4.414 1.00 0.86 H new ATOM 0 HG2 GLN A 18 13.833 10.386 4.168 1.00 1.02 H new ATOM 0 HG3 GLN A 18 13.075 9.914 5.676 1.00 1.02 H new ATOM 0 HE21 GLN A 18 15.821 11.526 4.180 1.00 2.17 H new ATOM 0 HE22 GLN A 18 16.406 12.326 5.642 1.00 2.17 H new ATOM 276 N LEU A 19 13.068 6.356 6.833 1.00 0.60 N ATOM 277 CA LEU A 19 11.902 5.835 7.526 1.00 0.62 C ATOM 278 C LEU A 19 12.286 5.498 8.967 1.00 0.78 C ATOM 279 O LEU A 19 13.461 5.321 9.278 1.00 1.61 O ATOM 280 CB LEU A 19 11.377 4.576 6.822 1.00 0.62 C ATOM 281 CG LEU A 19 11.106 4.710 5.320 1.00 0.52 C ATOM 282 CD1 LEU A 19 10.986 3.336 4.678 1.00 0.92 C ATOM 283 CD2 LEU A 19 9.835 5.508 5.079 1.00 0.89 C ATOM 0 H LEU A 19 13.492 5.699 6.178 1.00 0.60 H new ATOM 0 HA LEU A 19 11.115 6.589 7.518 1.00 0.62 H new ATOM 0 HB2 LEU A 19 12.099 3.773 6.971 1.00 0.62 H new ATOM 0 HB3 LEU A 19 10.453 4.269 7.312 1.00 0.62 H new ATOM 0 HG LEU A 19 11.944 5.239 4.866 1.00 0.52 H new ATOM 0 HD11 LEU A 19 10.794 3.448 3.611 1.00 0.92 H new ATOM 0 HD12 LEU A 19 11.915 2.784 4.823 1.00 0.92 H new ATOM 0 HD13 LEU A 19 10.164 2.789 5.139 1.00 0.92 H new ATOM 0 HD21 LEU A 19 9.657 5.594 4.007 1.00 0.89 H new ATOM 0 HD22 LEU A 19 8.992 5.000 5.547 1.00 0.89 H new ATOM 0 HD23 LEU A 19 9.943 6.503 5.510 1.00 0.89 H new ATOM 295 N THR A 20 11.303 5.408 9.844 1.00 0.68 N ATOM 296 CA THR A 20 11.551 5.112 11.247 1.00 0.69 C ATOM 297 C THR A 20 10.309 4.450 11.827 1.00 0.66 C ATOM 298 O THR A 20 9.668 4.962 12.745 1.00 0.73 O ATOM 299 CB THR A 20 11.911 6.386 12.045 1.00 0.80 C ATOM 300 OG1 THR A 20 12.901 7.141 11.327 1.00 1.51 O ATOM 301 CG2 THR A 20 12.456 6.030 13.422 1.00 1.65 C ATOM 0 H THR A 20 10.319 5.536 9.609 1.00 0.68 H new ATOM 0 HA THR A 20 12.406 4.440 11.323 1.00 0.69 H new ATOM 0 HB THR A 20 11.005 6.979 12.169 1.00 0.80 H new ATOM 0 HG1 THR A 20 13.127 7.949 11.833 1.00 1.51 H new ATOM 0 HG21 THR A 20 12.702 6.944 13.963 1.00 1.65 H new ATOM 0 HG22 THR A 20 11.704 5.470 13.978 1.00 1.65 H new ATOM 0 HG23 THR A 20 13.353 5.421 13.312 1.00 1.65 H new ATOM 309 N ASP A 21 9.975 3.309 11.231 1.00 0.61 N ATOM 310 CA ASP A 21 8.732 2.590 11.500 1.00 0.61 C ATOM 311 C ASP A 21 7.532 3.457 11.138 1.00 0.58 C ATOM 312 O ASP A 21 7.024 3.390 10.019 1.00 0.73 O ATOM 313 CB ASP A 21 8.643 2.119 12.952 1.00 0.69 C ATOM 314 CG ASP A 21 7.412 1.266 13.204 1.00 1.18 C ATOM 315 OD1 ASP A 21 7.468 0.046 12.950 1.00 1.38 O ATOM 316 OD2 ASP A 21 6.380 1.816 13.648 1.00 1.83 O ATOM 0 H ASP A 21 10.567 2.851 10.538 1.00 0.61 H new ATOM 0 HA ASP A 21 8.726 1.698 10.874 1.00 0.61 H new ATOM 0 HB2 ASP A 21 9.537 1.547 13.202 1.00 0.69 H new ATOM 0 HB3 ASP A 21 8.624 2.986 13.613 1.00 0.69 H new ATOM 321 N ALA A 22 7.116 4.310 12.061 1.00 0.65 N ATOM 322 CA ALA A 22 5.985 5.185 11.827 1.00 0.68 C ATOM 323 C ALA A 22 6.441 6.495 11.186 1.00 0.62 C ATOM 324 O ALA A 22 6.532 7.529 11.847 1.00 0.72 O ATOM 325 CB ALA A 22 5.230 5.449 13.120 1.00 0.82 C ATOM 0 H ALA A 22 7.547 4.413 12.980 1.00 0.65 H new ATOM 0 HA ALA A 22 5.305 4.687 11.136 1.00 0.68 H new ATOM 0 HB1 ALA A 22 4.385 6.108 12.920 1.00 0.82 H new ATOM 0 HB2 ALA A 22 4.866 4.506 13.528 1.00 0.82 H new ATOM 0 HB3 ALA A 22 5.897 5.922 13.841 1.00 0.82 H new ATOM 331 N ALA A 23 6.765 6.428 9.904 1.00 0.59 N ATOM 332 CA ALA A 23 7.175 7.601 9.146 1.00 0.59 C ATOM 333 C ALA A 23 6.753 7.458 7.690 1.00 0.64 C ATOM 334 O ALA A 23 7.400 6.752 6.917 1.00 0.79 O ATOM 335 CB ALA A 23 8.680 7.806 9.247 1.00 0.71 C ATOM 0 H ALA A 23 6.752 5.564 9.362 1.00 0.59 H new ATOM 0 HA ALA A 23 6.683 8.477 9.569 1.00 0.59 H new ATOM 0 HB1 ALA A 23 8.966 8.688 8.674 1.00 0.71 H new ATOM 0 HB2 ALA A 23 8.959 7.946 10.291 1.00 0.71 H new ATOM 0 HB3 ALA A 23 9.194 6.931 8.848 1.00 0.71 H new ATOM 341 N PRO A 24 5.642 8.102 7.308 1.00 0.62 N ATOM 342 CA PRO A 24 5.106 8.016 5.955 1.00 0.72 C ATOM 343 C PRO A 24 5.796 8.973 4.989 1.00 0.78 C ATOM 344 O PRO A 24 5.635 10.189 5.073 1.00 1.12 O ATOM 345 CB PRO A 24 3.643 8.402 6.147 1.00 0.79 C ATOM 346 CG PRO A 24 3.650 9.358 7.295 1.00 0.75 C ATOM 347 CD PRO A 24 4.819 8.975 8.169 1.00 0.63 C ATOM 0 HA PRO A 24 5.252 7.030 5.514 1.00 0.72 H new ATOM 0 HB2 PRO A 24 3.235 8.865 5.249 1.00 0.79 H new ATOM 0 HB3 PRO A 24 3.028 7.528 6.363 1.00 0.79 H new ATOM 0 HG2 PRO A 24 3.749 10.385 6.943 1.00 0.75 H new ATOM 0 HG3 PRO A 24 2.715 9.301 7.852 1.00 0.75 H new ATOM 0 HD2 PRO A 24 5.377 9.853 8.496 1.00 0.63 H new ATOM 0 HD3 PRO A 24 4.491 8.453 9.068 1.00 0.63 H new ATOM 355 N ILE A 25 6.579 8.420 4.078 1.00 0.58 N ATOM 356 CA ILE A 25 7.276 9.234 3.091 1.00 0.64 C ATOM 357 C ILE A 25 6.776 8.893 1.692 1.00 0.59 C ATOM 358 O ILE A 25 7.495 9.002 0.699 1.00 0.95 O ATOM 359 CB ILE A 25 8.806 9.044 3.186 1.00 0.92 C ATOM 360 CG1 ILE A 25 9.220 9.002 4.659 1.00 1.73 C ATOM 361 CG2 ILE A 25 9.536 10.175 2.467 1.00 1.37 C ATOM 362 CD1 ILE A 25 10.716 8.905 4.879 1.00 2.58 C ATOM 0 H ILE A 25 6.749 7.417 4.000 1.00 0.58 H new ATOM 0 HA ILE A 25 7.063 10.283 3.298 1.00 0.64 H new ATOM 0 HB ILE A 25 9.077 8.105 2.704 1.00 0.92 H new ATOM 0 HG12 ILE A 25 8.848 9.898 5.155 1.00 1.73 H new ATOM 0 HG13 ILE A 25 8.737 8.149 5.137 1.00 1.73 H new ATOM 0 HG21 ILE A 25 10.612 10.022 2.546 1.00 1.37 H new ATOM 0 HG22 ILE A 25 9.247 10.184 1.416 1.00 1.37 H new ATOM 0 HG23 ILE A 25 9.271 11.128 2.925 1.00 1.37 H new ATOM 0 HD11 ILE A 25 10.926 8.880 5.948 1.00 2.58 H new ATOM 0 HD12 ILE A 25 11.094 7.994 4.414 1.00 2.58 H new ATOM 0 HD13 ILE A 25 11.206 9.770 4.433 1.00 2.58 H new ATOM 374 N GLY A 26 5.531 8.455 1.633 1.00 0.62 N ATOM 375 CA GLY A 26 4.872 8.249 0.361 1.00 0.74 C ATOM 376 C GLY A 26 3.368 8.442 0.454 1.00 0.56 C ATOM 377 O GLY A 26 2.620 7.507 0.206 1.00 0.65 O ATOM 0 H GLY A 26 4.960 8.236 2.449 1.00 0.62 H new ATOM 0 HA2 GLY A 26 5.280 8.943 -0.374 1.00 0.74 H new ATOM 0 HA3 GLY A 26 5.086 7.242 0.002 1.00 0.74 H new ATOM 381 N PRO A 27 2.889 9.637 0.847 1.00 0.48 N ATOM 382 CA PRO A 27 1.448 9.926 0.906 1.00 0.44 C ATOM 383 C PRO A 27 0.757 9.798 -0.455 1.00 0.48 C ATOM 384 O PRO A 27 0.802 10.709 -1.282 1.00 0.61 O ATOM 385 CB PRO A 27 1.381 11.374 1.409 1.00 0.51 C ATOM 386 CG PRO A 27 2.739 11.939 1.154 1.00 0.66 C ATOM 387 CD PRO A 27 3.693 10.790 1.289 1.00 0.67 C ATOM 0 HA PRO A 27 0.929 9.215 1.549 1.00 0.44 H new ATOM 0 HB2 PRO A 27 0.613 11.939 0.881 1.00 0.51 H new ATOM 0 HB3 PRO A 27 1.131 11.412 2.469 1.00 0.51 H new ATOM 0 HG2 PRO A 27 2.798 12.381 0.159 1.00 0.66 H new ATOM 0 HG3 PRO A 27 2.974 12.728 1.868 1.00 0.66 H new ATOM 0 HD2 PRO A 27 4.579 10.926 0.668 1.00 0.67 H new ATOM 0 HD3 PRO A 27 4.039 10.671 2.316 1.00 0.67 H new ATOM 395 N VAL A 28 0.134 8.651 -0.681 1.00 0.45 N ATOM 396 CA VAL A 28 -0.614 8.404 -1.904 1.00 0.54 C ATOM 397 C VAL A 28 -1.989 9.051 -1.806 1.00 0.57 C ATOM 398 O VAL A 28 -2.715 8.826 -0.837 1.00 0.58 O ATOM 399 CB VAL A 28 -0.790 6.890 -2.165 1.00 0.65 C ATOM 400 CG1 VAL A 28 -1.468 6.649 -3.508 1.00 1.18 C ATOM 401 CG2 VAL A 28 0.550 6.170 -2.097 1.00 1.07 C ATOM 0 H VAL A 28 0.133 7.869 -0.026 1.00 0.45 H new ATOM 0 HA VAL A 28 -0.050 8.836 -2.731 1.00 0.54 H new ATOM 0 HB VAL A 28 -1.432 6.483 -1.384 1.00 0.65 H new ATOM 0 HG11 VAL A 28 -1.582 5.577 -3.671 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -2.450 7.123 -3.510 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -0.858 7.075 -4.305 1.00 1.18 H new ATOM 0 HG21 VAL A 28 0.401 5.106 -2.284 1.00 1.07 H new ATOM 0 HG22 VAL A 28 1.222 6.580 -2.851 1.00 1.07 H new ATOM 0 HG23 VAL A 28 0.987 6.307 -1.108 1.00 1.07 H new ATOM 411 N THR A 29 -2.331 9.874 -2.784 1.00 0.61 N ATOM 412 CA THR A 29 -3.616 10.522 -2.816 1.00 0.67 C ATOM 413 C THR A 29 -4.665 9.607 -3.442 1.00 0.65 C ATOM 414 O THR A 29 -4.808 9.548 -4.663 1.00 0.75 O ATOM 415 CB THR A 29 -3.518 11.831 -3.610 1.00 0.79 C ATOM 416 OG1 THR A 29 -2.390 12.588 -3.151 1.00 1.64 O ATOM 417 CG2 THR A 29 -4.771 12.651 -3.442 1.00 1.37 C ATOM 0 H THR A 29 -1.724 10.106 -3.570 1.00 0.61 H new ATOM 0 HA THR A 29 -3.920 10.744 -1.793 1.00 0.67 H new ATOM 0 HB THR A 29 -3.397 11.588 -4.666 1.00 0.79 H new ATOM 0 HG1 THR A 29 -2.327 13.423 -3.660 1.00 1.64 H new ATOM 0 HG21 THR A 29 -4.680 13.575 -4.013 1.00 1.37 H new ATOM 0 HG22 THR A 29 -5.628 12.083 -3.803 1.00 1.37 H new ATOM 0 HG23 THR A 29 -4.912 12.889 -2.388 1.00 1.37 H new ATOM 425 N VAL A 30 -5.374 8.876 -2.597 1.00 0.62 N ATOM 426 CA VAL A 30 -6.399 7.959 -3.056 1.00 0.61 C ATOM 427 C VAL A 30 -7.766 8.616 -3.038 1.00 0.62 C ATOM 428 O VAL A 30 -8.289 8.970 -1.987 1.00 0.87 O ATOM 429 CB VAL A 30 -6.434 6.678 -2.197 1.00 0.77 C ATOM 430 CG1 VAL A 30 -7.750 5.934 -2.361 1.00 0.76 C ATOM 431 CG2 VAL A 30 -5.273 5.771 -2.574 1.00 1.01 C ATOM 0 H VAL A 30 -5.256 8.902 -1.584 1.00 0.62 H new ATOM 0 HA VAL A 30 -6.148 7.687 -4.081 1.00 0.61 H new ATOM 0 HB VAL A 30 -6.343 6.971 -1.151 1.00 0.77 H new ATOM 0 HG11 VAL A 30 -7.740 5.037 -1.742 1.00 0.76 H new ATOM 0 HG12 VAL A 30 -8.573 6.579 -2.053 1.00 0.76 H new ATOM 0 HG13 VAL A 30 -7.881 5.652 -3.406 1.00 0.76 H new ATOM 0 HG21 VAL A 30 -5.303 4.868 -1.964 1.00 1.01 H new ATOM 0 HG22 VAL A 30 -5.350 5.500 -3.627 1.00 1.01 H new ATOM 0 HG23 VAL A 30 -4.332 6.294 -2.402 1.00 1.01 H new ATOM 441 N GLN A 31 -8.330 8.770 -4.214 1.00 0.49 N ATOM 442 CA GLN A 31 -9.676 9.280 -4.359 1.00 0.52 C ATOM 443 C GLN A 31 -10.631 8.131 -4.654 1.00 0.49 C ATOM 444 O GLN A 31 -10.409 7.353 -5.583 1.00 0.54 O ATOM 445 CB GLN A 31 -9.717 10.324 -5.474 1.00 0.62 C ATOM 446 CG GLN A 31 -8.699 11.438 -5.278 1.00 1.15 C ATOM 447 CD GLN A 31 -8.708 12.466 -6.392 1.00 1.59 C ATOM 448 OE1 GLN A 31 -8.406 13.636 -6.166 1.00 2.48 O ATOM 449 NE2 GLN A 31 -9.045 12.044 -7.600 1.00 1.86 N ATOM 0 H GLN A 31 -7.870 8.546 -5.096 1.00 0.49 H new ATOM 0 HA GLN A 31 -9.988 9.758 -3.430 1.00 0.52 H new ATOM 0 HB2 GLN A 31 -9.533 9.835 -6.430 1.00 0.62 H new ATOM 0 HB3 GLN A 31 -10.716 10.756 -5.524 1.00 0.62 H new ATOM 0 HG2 GLN A 31 -8.898 11.939 -4.330 1.00 1.15 H new ATOM 0 HG3 GLN A 31 -7.703 11.001 -5.205 1.00 1.15 H new ATOM 0 HE21 GLN A 31 -9.289 11.065 -7.748 1.00 1.86 H new ATOM 0 HE22 GLN A 31 -9.060 12.698 -8.383 1.00 1.86 H new ATOM 458 N ALA A 32 -11.665 8.010 -3.835 1.00 0.53 N ATOM 459 CA ALA A 32 -12.648 6.949 -3.992 1.00 0.54 C ATOM 460 C ALA A 32 -13.883 7.463 -4.719 1.00 0.56 C ATOM 461 O ALA A 32 -14.792 8.016 -4.101 1.00 0.70 O ATOM 462 CB ALA A 32 -13.024 6.378 -2.635 1.00 0.61 C ATOM 0 H ALA A 32 -11.845 8.637 -3.051 1.00 0.53 H new ATOM 0 HA ALA A 32 -12.208 6.154 -4.594 1.00 0.54 H new ATOM 0 HB1 ALA A 32 -13.760 5.585 -2.765 1.00 0.61 H new ATOM 0 HB2 ALA A 32 -12.135 5.972 -2.152 1.00 0.61 H new ATOM 0 HB3 ALA A 32 -13.447 7.167 -2.013 1.00 0.61 H new ATOM 468 N LEU A 33 -13.896 7.284 -6.030 1.00 0.54 N ATOM 469 CA LEU A 33 -14.969 7.795 -6.870 1.00 0.64 C ATOM 470 C LEU A 33 -16.115 6.793 -6.955 1.00 0.75 C ATOM 471 O LEU A 33 -15.961 5.714 -7.523 1.00 0.84 O ATOM 472 CB LEU A 33 -14.437 8.091 -8.278 1.00 0.74 C ATOM 473 CG LEU A 33 -15.473 8.614 -9.277 1.00 1.28 C ATOM 474 CD1 LEU A 33 -15.943 10.007 -8.889 1.00 1.90 C ATOM 475 CD2 LEU A 33 -14.896 8.616 -10.683 1.00 1.94 C ATOM 0 H LEU A 33 -13.168 6.784 -6.540 1.00 0.54 H new ATOM 0 HA LEU A 33 -15.344 8.715 -6.423 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -13.633 8.823 -8.198 1.00 0.74 H new ATOM 0 HB3 LEU A 33 -13.998 7.178 -8.681 1.00 0.74 H new ATOM 0 HG LEU A 33 -16.336 7.949 -9.257 1.00 1.28 H new ATOM 0 HD11 LEU A 33 -16.678 10.358 -9.613 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -16.396 9.975 -7.898 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -15.092 10.688 -8.877 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -15.644 8.990 -11.383 1.00 1.94 H new ATOM 0 HD22 LEU A 33 -14.016 9.258 -10.714 1.00 1.94 H new ATOM 0 HD23 LEU A 33 -14.614 7.601 -10.962 1.00 1.94 H new ATOM 487 N GLY A 34 -17.255 7.148 -6.388 1.00 0.85 N ATOM 488 CA GLY A 34 -18.417 6.284 -6.465 1.00 1.06 C ATOM 489 C GLY A 34 -18.589 5.440 -5.220 1.00 0.98 C ATOM 490 O GLY A 34 -19.442 4.551 -5.171 1.00 1.81 O ATOM 0 H GLY A 34 -17.399 8.018 -5.875 1.00 0.85 H new ATOM 0 HA2 GLY A 34 -19.309 6.892 -6.616 1.00 1.06 H new ATOM 0 HA3 GLY A 34 -18.325 5.632 -7.334 1.00 1.06 H new ATOM 494 N CYS A 35 -17.773 5.712 -4.214 1.00 0.96 N ATOM 495 CA CYS A 35 -17.868 5.006 -2.949 1.00 0.86 C ATOM 496 C CYS A 35 -18.932 5.638 -2.067 1.00 0.96 C ATOM 497 O CYS A 35 -18.676 6.619 -1.371 1.00 1.88 O ATOM 498 CB CYS A 35 -16.524 5.002 -2.223 1.00 0.84 C ATOM 499 SG CYS A 35 -15.651 3.403 -2.254 1.00 1.18 S ATOM 0 H CYS A 35 -17.037 6.418 -4.250 1.00 0.96 H new ATOM 0 HA CYS A 35 -18.149 3.974 -3.160 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -15.882 5.761 -2.670 1.00 0.84 H new ATOM 0 HB3 CYS A 35 -16.686 5.293 -1.185 1.00 0.84 H new ATOM 504 N ASN A 36 -20.125 5.077 -2.112 1.00 0.79 N ATOM 505 CA ASN A 36 -21.233 5.577 -1.311 1.00 0.72 C ATOM 506 C ASN A 36 -21.461 4.673 -0.110 1.00 0.69 C ATOM 507 O ASN A 36 -21.810 5.136 0.975 1.00 0.80 O ATOM 508 CB ASN A 36 -22.514 5.666 -2.151 1.00 0.76 C ATOM 509 CG ASN A 36 -22.466 6.767 -3.199 1.00 1.29 C ATOM 510 OD1 ASN A 36 -21.401 7.142 -3.686 1.00 1.75 O ATOM 511 ND2 ASN A 36 -23.625 7.282 -3.570 1.00 2.14 N ATOM 0 H ASN A 36 -20.355 4.273 -2.695 1.00 0.79 H new ATOM 0 HA ASN A 36 -20.979 6.578 -0.961 1.00 0.72 H new ATOM 0 HB2 ASN A 36 -22.684 4.710 -2.645 1.00 0.76 H new ATOM 0 HB3 ASN A 36 -23.363 5.839 -1.490 1.00 0.76 H new ATOM 0 HD21 ASN A 36 -23.654 8.013 -4.280 1.00 2.14 H new ATOM 0 HD22 ASN A 36 -24.491 6.948 -3.146 1.00 2.14 H new ATOM 518 N ALA A 37 -21.246 3.381 -0.311 1.00 0.65 N ATOM 519 CA ALA A 37 -21.431 2.399 0.747 1.00 0.74 C ATOM 520 C ALA A 37 -20.398 1.285 0.625 1.00 0.70 C ATOM 521 O ALA A 37 -20.675 0.124 0.922 1.00 0.94 O ATOM 522 CB ALA A 37 -22.841 1.828 0.688 1.00 0.93 C ATOM 0 H ALA A 37 -20.942 2.987 -1.201 1.00 0.65 H new ATOM 0 HA ALA A 37 -21.293 2.890 1.710 1.00 0.74 H new ATOM 0 HB1 ALA A 37 -22.970 1.094 1.484 1.00 0.93 H new ATOM 0 HB2 ALA A 37 -23.565 2.633 0.816 1.00 0.93 H new ATOM 0 HB3 ALA A 37 -22.999 1.348 -0.278 1.00 0.93 H new ATOM 528 N ARG A 38 -19.193 1.647 0.210 1.00 0.59 N ATOM 529 CA ARG A 38 -18.158 0.658 -0.037 1.00 0.61 C ATOM 530 C ARG A 38 -16.934 0.894 0.840 1.00 0.50 C ATOM 531 O ARG A 38 -16.602 2.033 1.175 1.00 0.50 O ATOM 532 CB ARG A 38 -17.736 0.700 -1.504 1.00 0.71 C ATOM 533 CG ARG A 38 -16.887 -0.489 -1.923 1.00 0.98 C ATOM 534 CD ARG A 38 -17.732 -1.730 -2.175 1.00 2.02 C ATOM 535 NE ARG A 38 -18.204 -1.790 -3.560 1.00 2.78 N ATOM 536 CZ ARG A 38 -18.993 -2.749 -4.048 1.00 3.70 C ATOM 537 NH1 ARG A 38 -19.502 -3.681 -3.251 1.00 4.05 N ATOM 538 NH2 ARG A 38 -19.279 -2.770 -5.345 1.00 4.64 N ATOM 0 H ARG A 38 -18.910 2.612 0.039 1.00 0.59 H new ATOM 0 HA ARG A 38 -18.574 -0.320 0.207 1.00 0.61 H new ATOM 0 HB2 ARG A 38 -18.628 0.739 -2.130 1.00 0.71 H new ATOM 0 HB3 ARG A 38 -17.178 1.618 -1.688 1.00 0.71 H new ATOM 0 HG2 ARG A 38 -16.332 -0.238 -2.827 1.00 0.98 H new ATOM 0 HG3 ARG A 38 -16.152 -0.702 -1.147 1.00 0.98 H new ATOM 0 HD2 ARG A 38 -17.146 -2.621 -1.951 1.00 2.02 H new ATOM 0 HD3 ARG A 38 -18.587 -1.732 -1.499 1.00 2.02 H new ATOM 0 HE ARG A 38 -17.910 -1.048 -4.195 1.00 2.78 H new ATOM 0 HH11 ARG A 38 -19.291 -3.669 -2.253 1.00 4.05 H new ATOM 0 HH12 ARG A 38 -20.104 -4.409 -3.637 1.00 4.05 H new ATOM 0 HH21 ARG A 38 -18.896 -2.055 -5.963 1.00 4.64 H new ATOM 0 HH22 ARG A 38 -19.882 -3.501 -5.723 1.00 4.64 H new ATOM 552 N GLN A 39 -16.263 -0.188 1.205 1.00 0.48 N ATOM 553 CA GLN A 39 -15.005 -0.107 1.920 1.00 0.42 C ATOM 554 C GLN A 39 -13.856 -0.123 0.916 1.00 0.42 C ATOM 555 O GLN A 39 -13.798 -0.989 0.047 1.00 0.62 O ATOM 556 CB GLN A 39 -14.883 -1.283 2.892 1.00 0.47 C ATOM 557 CG GLN A 39 -15.992 -1.325 3.932 1.00 0.64 C ATOM 558 CD GLN A 39 -16.013 -2.615 4.732 1.00 0.87 C ATOM 559 OE1 GLN A 39 -16.395 -2.633 5.901 1.00 1.75 O ATOM 560 NE2 GLN A 39 -15.621 -3.712 4.105 1.00 1.40 N ATOM 0 H GLN A 39 -16.575 -1.140 1.014 1.00 0.48 H new ATOM 0 HA GLN A 39 -14.966 0.819 2.493 1.00 0.42 H new ATOM 0 HB2 GLN A 39 -14.890 -2.215 2.326 1.00 0.47 H new ATOM 0 HB3 GLN A 39 -13.920 -1.226 3.400 1.00 0.47 H new ATOM 0 HG2 GLN A 39 -15.873 -0.484 4.615 1.00 0.64 H new ATOM 0 HG3 GLN A 39 -16.953 -1.198 3.434 1.00 0.64 H new ATOM 0 HE21 GLN A 39 -15.310 -3.661 3.135 1.00 1.40 H new ATOM 0 HE22 GLN A 39 -15.630 -4.608 4.592 1.00 1.40 H new ATOM 569 N VAL A 40 -12.958 0.844 1.024 1.00 0.36 N ATOM 570 CA VAL A 40 -11.821 0.932 0.113 1.00 0.38 C ATOM 571 C VAL A 40 -10.643 0.208 0.720 1.00 0.35 C ATOM 572 O VAL A 40 -10.299 0.449 1.873 1.00 0.41 O ATOM 573 CB VAL A 40 -11.431 2.398 -0.185 1.00 0.44 C ATOM 574 CG1 VAL A 40 -10.155 2.468 -1.011 1.00 0.49 C ATOM 575 CG2 VAL A 40 -12.559 3.109 -0.908 1.00 0.54 C ATOM 0 H VAL A 40 -12.992 1.579 1.731 1.00 0.36 H new ATOM 0 HA VAL A 40 -12.108 0.469 -0.831 1.00 0.38 H new ATOM 0 HB VAL A 40 -11.250 2.897 0.767 1.00 0.44 H new ATOM 0 HG11 VAL A 40 -9.904 3.511 -1.206 1.00 0.49 H new ATOM 0 HG12 VAL A 40 -9.340 1.995 -0.463 1.00 0.49 H new ATOM 0 HG13 VAL A 40 -10.305 1.948 -1.957 1.00 0.49 H new ATOM 0 HG21 VAL A 40 -12.269 4.140 -1.110 1.00 0.54 H new ATOM 0 HG22 VAL A 40 -12.767 2.599 -1.849 1.00 0.54 H new ATOM 0 HG23 VAL A 40 -13.453 3.100 -0.285 1.00 0.54 H new ATOM 585 N ALA A 41 -10.038 -0.683 -0.048 1.00 0.29 N ATOM 586 CA ALA A 41 -8.983 -1.514 0.459 1.00 0.28 C ATOM 587 C ALA A 41 -7.776 -1.474 -0.457 1.00 0.26 C ATOM 588 O ALA A 41 -7.902 -1.422 -1.678 1.00 0.35 O ATOM 589 CB ALA A 41 -9.478 -2.936 0.631 1.00 0.36 C ATOM 0 H ALA A 41 -10.268 -0.842 -1.029 1.00 0.29 H new ATOM 0 HA ALA A 41 -8.677 -1.130 1.432 1.00 0.28 H new ATOM 0 HB1 ALA A 41 -8.670 -3.558 1.016 1.00 0.36 H new ATOM 0 HB2 ALA A 41 -10.312 -2.949 1.333 1.00 0.36 H new ATOM 0 HB3 ALA A 41 -9.808 -3.325 -0.332 1.00 0.36 H new ATOM 595 N LEU A 42 -6.607 -1.528 0.144 1.00 0.27 N ATOM 596 CA LEU A 42 -5.361 -1.472 -0.595 1.00 0.31 C ATOM 597 C LEU A 42 -4.771 -2.866 -0.716 1.00 0.31 C ATOM 598 O LEU A 42 -4.947 -3.696 0.180 1.00 0.48 O ATOM 599 CB LEU A 42 -4.394 -0.540 0.131 1.00 0.39 C ATOM 600 CG LEU A 42 -5.001 0.812 0.508 1.00 0.52 C ATOM 601 CD1 LEU A 42 -4.037 1.620 1.363 1.00 0.80 C ATOM 602 CD2 LEU A 42 -5.386 1.596 -0.737 1.00 0.84 C ATOM 0 H LEU A 42 -6.492 -1.612 1.154 1.00 0.27 H new ATOM 0 HA LEU A 42 -5.541 -1.088 -1.599 1.00 0.31 H new ATOM 0 HB2 LEU A 42 -4.040 -1.033 1.036 1.00 0.39 H new ATOM 0 HB3 LEU A 42 -3.523 -0.372 -0.502 1.00 0.39 H new ATOM 0 HG LEU A 42 -5.902 0.623 1.091 1.00 0.52 H new ATOM 0 HD11 LEU A 42 -4.492 2.577 1.618 1.00 0.80 H new ATOM 0 HD12 LEU A 42 -3.812 1.070 2.277 1.00 0.80 H new ATOM 0 HD13 LEU A 42 -3.115 1.793 0.808 1.00 0.80 H new ATOM 0 HD21 LEU A 42 -5.816 2.554 -0.445 1.00 0.84 H new ATOM 0 HD22 LEU A 42 -4.500 1.767 -1.348 1.00 0.84 H new ATOM 0 HD23 LEU A 42 -6.119 1.030 -1.311 1.00 0.84 H new ATOM 614 N LYS A 43 -4.151 -3.139 -1.855 1.00 0.34 N ATOM 615 CA LYS A 43 -3.522 -4.431 -2.119 1.00 0.37 C ATOM 616 C LYS A 43 -2.261 -4.217 -2.924 1.00 0.38 C ATOM 617 O LYS A 43 -2.132 -3.229 -3.648 1.00 0.53 O ATOM 618 CB LYS A 43 -4.427 -5.394 -2.914 1.00 0.42 C ATOM 619 CG LYS A 43 -5.736 -5.745 -2.242 1.00 0.49 C ATOM 620 CD LYS A 43 -6.758 -4.642 -2.415 1.00 1.00 C ATOM 621 CE LYS A 43 -7.906 -4.844 -1.467 1.00 1.29 C ATOM 622 NZ LYS A 43 -7.425 -5.217 -0.114 1.00 1.93 N ATOM 0 H LYS A 43 -4.068 -2.474 -2.624 1.00 0.34 H new ATOM 0 HA LYS A 43 -3.317 -4.881 -1.147 1.00 0.37 H new ATOM 0 HB2 LYS A 43 -4.643 -4.947 -3.885 1.00 0.42 H new ATOM 0 HB3 LYS A 43 -3.875 -6.315 -3.103 1.00 0.42 H new ATOM 0 HG2 LYS A 43 -6.125 -6.673 -2.662 1.00 0.49 H new ATOM 0 HG3 LYS A 43 -5.566 -5.922 -1.180 1.00 0.49 H new ATOM 0 HD2 LYS A 43 -6.293 -3.673 -2.233 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -7.123 -4.632 -3.442 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -8.496 -3.930 -1.407 1.00 1.29 H new ATOM 0 HE3 LYS A 43 -8.564 -5.624 -1.850 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 -8.182 -5.055 0.580 1.00 1.93 H new ATOM 0 HZ2 LYS A 43 -7.157 -6.222 -0.106 1.00 1.93 H new ATOM 0 HZ3 LYS A 43 -6.599 -4.636 0.133 1.00 1.93 H new ATOM 636 N ALA A 44 -1.330 -5.124 -2.783 1.00 0.36 N ATOM 637 CA ALA A 44 -0.170 -5.129 -3.636 1.00 0.37 C ATOM 638 C ALA A 44 -0.316 -6.212 -4.687 1.00 0.34 C ATOM 639 O ALA A 44 -1.118 -7.137 -4.533 1.00 0.36 O ATOM 640 CB ALA A 44 1.083 -5.343 -2.820 1.00 0.41 C ATOM 0 H ALA A 44 -1.352 -5.868 -2.086 1.00 0.36 H new ATOM 0 HA ALA A 44 -0.088 -4.163 -4.134 1.00 0.37 H new ATOM 0 HB1 ALA A 44 1.951 -5.344 -3.479 1.00 0.41 H new ATOM 0 HB2 ALA A 44 1.183 -4.540 -2.090 1.00 0.41 H new ATOM 0 HB3 ALA A 44 1.020 -6.300 -2.301 1.00 0.41 H new ATOM 646 N ASP A 45 0.442 -6.089 -5.752 1.00 0.36 N ATOM 647 CA ASP A 45 0.459 -7.102 -6.792 1.00 0.39 C ATOM 648 C ASP A 45 1.419 -8.203 -6.365 1.00 0.37 C ATOM 649 O ASP A 45 2.280 -7.958 -5.523 1.00 0.35 O ATOM 650 CB ASP A 45 0.889 -6.484 -8.127 1.00 0.45 C ATOM 651 CG ASP A 45 0.773 -7.449 -9.289 1.00 0.57 C ATOM 652 OD1 ASP A 45 -0.336 -7.578 -9.851 1.00 0.71 O ATOM 653 OD2 ASP A 45 1.788 -8.078 -9.647 1.00 0.64 O ATOM 0 H ASP A 45 1.059 -5.295 -5.925 1.00 0.36 H new ATOM 0 HA ASP A 45 -0.538 -7.520 -6.931 1.00 0.39 H new ATOM 0 HB2 ASP A 45 0.276 -5.605 -8.329 1.00 0.45 H new ATOM 0 HB3 ASP A 45 1.921 -6.142 -8.047 1.00 0.45 H new ATOM 658 N THR A 46 1.291 -9.399 -6.937 1.00 0.47 N ATOM 659 CA THR A 46 2.117 -10.544 -6.532 1.00 0.55 C ATOM 660 C THR A 46 3.615 -10.255 -6.707 1.00 0.47 C ATOM 661 O THR A 46 4.466 -11.025 -6.259 1.00 0.56 O ATOM 662 CB THR A 46 1.729 -11.823 -7.308 1.00 0.76 C ATOM 663 OG1 THR A 46 2.538 -12.929 -6.882 1.00 1.40 O ATOM 664 CG2 THR A 46 1.884 -11.623 -8.808 1.00 0.99 C ATOM 0 H THR A 46 0.625 -9.604 -7.682 1.00 0.47 H new ATOM 0 HA THR A 46 1.924 -10.711 -5.472 1.00 0.55 H new ATOM 0 HB THR A 46 0.682 -12.038 -7.094 1.00 0.76 H new ATOM 0 HG1 THR A 46 3.369 -12.593 -6.486 1.00 1.40 H new ATOM 0 HG21 THR A 46 1.604 -12.539 -9.328 1.00 0.99 H new ATOM 0 HG22 THR A 46 1.238 -10.808 -9.135 1.00 0.99 H new ATOM 0 HG23 THR A 46 2.921 -11.378 -9.037 1.00 0.99 H new ATOM 672 N ASP A 47 3.912 -9.144 -7.361 1.00 0.42 N ATOM 673 CA ASP A 47 5.267 -8.618 -7.461 1.00 0.50 C ATOM 674 C ASP A 47 5.884 -8.390 -6.075 1.00 0.43 C ATOM 675 O ASP A 47 7.062 -8.671 -5.858 1.00 0.47 O ATOM 676 CB ASP A 47 5.206 -7.310 -8.258 1.00 0.66 C ATOM 677 CG ASP A 47 6.321 -6.339 -7.946 1.00 1.42 C ATOM 678 OD1 ASP A 47 7.470 -6.626 -8.352 1.00 1.72 O ATOM 679 OD2 ASP A 47 6.061 -5.317 -7.276 1.00 2.22 O ATOM 0 H ASP A 47 3.215 -8.576 -7.842 1.00 0.42 H new ATOM 0 HA ASP A 47 5.906 -9.340 -7.970 1.00 0.50 H new ATOM 0 HB2 ASP A 47 5.232 -7.545 -9.322 1.00 0.66 H new ATOM 0 HB3 ASP A 47 4.251 -6.823 -8.062 1.00 0.66 H new ATOM 684 N ASN A 48 5.070 -7.925 -5.130 1.00 0.38 N ATOM 685 CA ASN A 48 5.541 -7.652 -3.772 1.00 0.39 C ATOM 686 C ASN A 48 4.477 -8.054 -2.747 1.00 0.37 C ATOM 687 O ASN A 48 4.474 -7.572 -1.616 1.00 0.42 O ATOM 688 CB ASN A 48 5.894 -6.163 -3.610 1.00 0.50 C ATOM 689 CG ASN A 48 4.701 -5.256 -3.798 1.00 0.65 C ATOM 690 OD1 ASN A 48 4.033 -4.876 -2.841 1.00 1.35 O ATOM 691 ND2 ASN A 48 4.428 -4.903 -5.041 1.00 1.19 N ATOM 0 H ASN A 48 4.080 -7.729 -5.279 1.00 0.38 H new ATOM 0 HA ASN A 48 6.440 -8.244 -3.597 1.00 0.39 H new ATOM 0 HB2 ASN A 48 6.316 -6.000 -2.618 1.00 0.50 H new ATOM 0 HB3 ASN A 48 6.665 -5.896 -4.333 1.00 0.50 H new ATOM 0 HD21 ASN A 48 3.635 -4.291 -5.235 1.00 1.19 H new ATOM 0 HD22 ASN A 48 5.010 -5.242 -5.807 1.00 1.19 H new ATOM 698 N PHE A 49 3.596 -8.964 -3.147 1.00 0.35 N ATOM 699 CA PHE A 49 2.485 -9.398 -2.302 1.00 0.36 C ATOM 700 C PHE A 49 2.491 -10.913 -2.164 1.00 0.38 C ATOM 701 O PHE A 49 2.186 -11.629 -3.116 1.00 0.39 O ATOM 702 CB PHE A 49 1.165 -8.940 -2.927 1.00 0.38 C ATOM 703 CG PHE A 49 -0.068 -9.125 -2.088 1.00 0.38 C ATOM 704 CD1 PHE A 49 -0.353 -8.249 -1.055 1.00 0.39 C ATOM 705 CD2 PHE A 49 -0.910 -10.205 -2.295 1.00 0.51 C ATOM 706 CE1 PHE A 49 -1.454 -8.446 -0.243 1.00 0.42 C ATOM 707 CE2 PHE A 49 -2.016 -10.400 -1.494 1.00 0.56 C ATOM 708 CZ PHE A 49 -2.406 -9.412 -0.612 1.00 0.46 C ATOM 0 H PHE A 49 3.629 -9.420 -4.059 1.00 0.35 H new ATOM 0 HA PHE A 49 2.594 -8.956 -1.312 1.00 0.36 H new ATOM 0 HB2 PHE A 49 1.253 -7.883 -3.177 1.00 0.38 H new ATOM 0 HB3 PHE A 49 1.025 -9.479 -3.864 1.00 0.38 H new ATOM 0 HD1 PHE A 49 0.293 -7.401 -0.881 1.00 0.39 H new ATOM 0 HD2 PHE A 49 -0.698 -10.902 -3.092 1.00 0.51 H new ATOM 0 HE1 PHE A 49 -1.581 -7.867 0.660 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.575 -11.322 -1.557 1.00 0.56 H new ATOM 0 HZ PHE A 49 -3.411 -9.382 -0.218 1.00 0.46 H new ATOM 718 N GLU A 50 2.851 -11.398 -0.990 1.00 0.44 N ATOM 719 CA GLU A 50 2.870 -12.828 -0.734 1.00 0.52 C ATOM 720 C GLU A 50 1.800 -13.194 0.282 1.00 0.52 C ATOM 721 O GLU A 50 1.922 -12.854 1.461 1.00 0.54 O ATOM 722 CB GLU A 50 4.248 -13.264 -0.239 1.00 0.65 C ATOM 723 CG GLU A 50 5.318 -13.219 -1.315 1.00 1.22 C ATOM 724 CD GLU A 50 5.010 -14.160 -2.461 1.00 1.82 C ATOM 725 OE1 GLU A 50 5.157 -15.387 -2.291 1.00 2.15 O ATOM 726 OE2 GLU A 50 4.618 -13.673 -3.541 1.00 2.41 O ATOM 0 H GLU A 50 3.135 -10.823 -0.197 1.00 0.44 H new ATOM 0 HA GLU A 50 2.659 -13.351 -1.666 1.00 0.52 H new ATOM 0 HB2 GLU A 50 4.548 -12.621 0.589 1.00 0.65 H new ATOM 0 HB3 GLU A 50 4.180 -14.279 0.153 1.00 0.65 H new ATOM 0 HG2 GLU A 50 5.407 -12.201 -1.695 1.00 1.22 H new ATOM 0 HG3 GLU A 50 6.282 -13.482 -0.879 1.00 1.22 H new ATOM 733 N GLN A 51 0.739 -13.851 -0.201 1.00 0.63 N ATOM 734 CA GLN A 51 -0.401 -14.265 0.627 1.00 0.76 C ATOM 735 C GLN A 51 -1.234 -13.059 1.051 1.00 0.72 C ATOM 736 O GLN A 51 -2.425 -12.972 0.750 1.00 1.07 O ATOM 737 CB GLN A 51 0.052 -15.037 1.873 1.00 0.87 C ATOM 738 CG GLN A 51 -1.096 -15.406 2.804 1.00 1.71 C ATOM 739 CD GLN A 51 -0.628 -15.880 4.164 1.00 2.56 C ATOM 740 OE1 GLN A 51 0.428 -16.499 4.294 1.00 2.92 O ATOM 741 NE2 GLN A 51 -1.410 -15.582 5.191 1.00 3.43 N ATOM 0 H GLN A 51 0.646 -14.112 -1.183 1.00 0.63 H new ATOM 0 HA GLN A 51 -1.013 -14.927 0.015 1.00 0.76 H new ATOM 0 HB2 GLN A 51 0.565 -15.947 1.562 1.00 0.87 H new ATOM 0 HB3 GLN A 51 0.776 -14.435 2.422 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -1.746 -14.540 2.931 1.00 1.71 H new ATOM 0 HG3 GLN A 51 -1.696 -16.189 2.339 1.00 1.71 H new ATOM 0 HE21 GLN A 51 -2.277 -15.067 5.039 1.00 3.43 H new ATOM 0 HE22 GLN A 51 -1.145 -15.867 6.134 1.00 3.43 H new ATOM 750 N GLY A 52 -0.588 -12.138 1.740 1.00 0.56 N ATOM 751 CA GLY A 52 -1.257 -10.980 2.269 1.00 0.52 C ATOM 752 C GLY A 52 -0.288 -10.070 2.982 1.00 0.48 C ATOM 753 O GLY A 52 -0.573 -9.564 4.061 1.00 0.52 O ATOM 0 H GLY A 52 0.411 -12.177 1.945 1.00 0.56 H new ATOM 0 HA2 GLY A 52 -1.743 -10.436 1.459 1.00 0.52 H new ATOM 0 HA3 GLY A 52 -2.041 -11.293 2.958 1.00 0.52 H new ATOM 757 N LYS A 53 0.887 -9.909 2.395 1.00 0.47 N ATOM 758 CA LYS A 53 1.866 -8.971 2.875 1.00 0.47 C ATOM 759 C LYS A 53 2.373 -8.149 1.695 1.00 0.42 C ATOM 760 O LYS A 53 2.670 -8.715 0.643 1.00 0.41 O ATOM 761 CB LYS A 53 3.035 -9.738 3.484 1.00 0.53 C ATOM 762 CG LYS A 53 3.173 -9.639 5.001 1.00 1.01 C ATOM 763 CD LYS A 53 2.112 -10.455 5.723 1.00 0.65 C ATOM 764 CE LYS A 53 2.550 -10.834 7.135 1.00 1.27 C ATOM 765 NZ LYS A 53 2.776 -9.649 8.008 1.00 2.12 N ATOM 0 H LYS A 53 1.181 -10.431 1.570 1.00 0.47 H new ATOM 0 HA LYS A 53 1.422 -8.318 3.626 1.00 0.47 H new ATOM 0 HB2 LYS A 53 2.936 -10.789 3.214 1.00 0.53 H new ATOM 0 HB3 LYS A 53 3.958 -9.378 3.029 1.00 0.53 H new ATOM 0 HG2 LYS A 53 4.162 -9.986 5.299 1.00 1.01 H new ATOM 0 HG3 LYS A 53 3.097 -8.595 5.305 1.00 1.01 H new ATOM 0 HD2 LYS A 53 1.185 -9.884 5.771 1.00 0.65 H new ATOM 0 HD3 LYS A 53 1.900 -11.360 5.153 1.00 0.65 H new ATOM 0 HE2 LYS A 53 1.791 -11.472 7.587 1.00 1.27 H new ATOM 0 HE3 LYS A 53 3.468 -11.420 7.081 1.00 1.27 H new ATOM 0 HZ1 LYS A 53 3.458 -9.893 8.754 1.00 2.12 H new ATOM 0 HZ2 LYS A 53 3.152 -8.865 7.438 1.00 2.12 H new ATOM 0 HZ3 LYS A 53 1.876 -9.361 8.442 1.00 2.12 H new ATOM 779 N PHE A 54 2.460 -6.834 1.852 1.00 0.44 N ATOM 780 CA PHE A 54 3.090 -6.001 0.836 1.00 0.41 C ATOM 781 C PHE A 54 4.416 -5.453 1.343 1.00 0.39 C ATOM 782 O PHE A 54 4.528 -5.012 2.492 1.00 0.44 O ATOM 783 CB PHE A 54 2.171 -4.870 0.336 1.00 0.43 C ATOM 784 CG PHE A 54 1.331 -4.170 1.373 1.00 0.44 C ATOM 785 CD1 PHE A 54 1.899 -3.522 2.454 1.00 0.53 C ATOM 786 CD2 PHE A 54 -0.047 -4.151 1.240 1.00 0.41 C ATOM 787 CE1 PHE A 54 1.105 -2.874 3.387 1.00 0.56 C ATOM 788 CE2 PHE A 54 -0.842 -3.502 2.167 1.00 0.44 C ATOM 789 CZ PHE A 54 -0.264 -2.865 3.243 1.00 0.51 C ATOM 0 H PHE A 54 2.107 -6.326 2.663 1.00 0.44 H new ATOM 0 HA PHE A 54 3.282 -6.639 -0.026 1.00 0.41 H new ATOM 0 HB2 PHE A 54 2.790 -4.123 -0.160 1.00 0.43 H new ATOM 0 HB3 PHE A 54 1.503 -5.284 -0.420 1.00 0.43 H new ATOM 0 HD1 PHE A 54 2.972 -3.521 2.573 1.00 0.53 H new ATOM 0 HD2 PHE A 54 -0.508 -4.650 0.400 1.00 0.41 H new ATOM 0 HE1 PHE A 54 1.561 -2.375 4.229 1.00 0.56 H new ATOM 0 HE2 PHE A 54 -1.915 -3.495 2.047 1.00 0.44 H new ATOM 0 HZ PHE A 54 -0.882 -2.361 3.971 1.00 0.51 H new ATOM 799 N PHE A 55 5.424 -5.503 0.488 1.00 0.37 N ATOM 800 CA PHE A 55 6.765 -5.111 0.877 1.00 0.36 C ATOM 801 C PHE A 55 7.491 -4.385 -0.246 1.00 0.42 C ATOM 802 O PHE A 55 7.054 -4.376 -1.393 1.00 0.55 O ATOM 803 CB PHE A 55 7.581 -6.335 1.321 1.00 0.36 C ATOM 804 CG PHE A 55 7.532 -7.501 0.371 1.00 0.39 C ATOM 805 CD1 PHE A 55 8.342 -7.530 -0.754 1.00 0.41 C ATOM 806 CD2 PHE A 55 6.675 -8.564 0.603 1.00 0.53 C ATOM 807 CE1 PHE A 55 8.299 -8.600 -1.629 1.00 0.48 C ATOM 808 CE2 PHE A 55 6.628 -9.636 -0.270 1.00 0.59 C ATOM 809 CZ PHE A 55 7.442 -9.657 -1.382 1.00 0.54 C ATOM 0 H PHE A 55 5.337 -5.812 -0.480 1.00 0.37 H new ATOM 0 HA PHE A 55 6.667 -4.422 1.716 1.00 0.36 H new ATOM 0 HB2 PHE A 55 8.620 -6.034 1.452 1.00 0.36 H new ATOM 0 HB3 PHE A 55 7.219 -6.662 2.296 1.00 0.36 H new ATOM 0 HD1 PHE A 55 9.014 -6.708 -0.949 1.00 0.41 H new ATOM 0 HD2 PHE A 55 6.037 -8.556 1.474 1.00 0.53 H new ATOM 0 HE1 PHE A 55 8.933 -8.610 -2.503 1.00 0.48 H new ATOM 0 HE2 PHE A 55 5.953 -10.457 -0.080 1.00 0.59 H new ATOM 0 HZ PHE A 55 7.411 -10.498 -2.059 1.00 0.54 H new ATOM 819 N LEU A 56 8.603 -3.778 0.113 1.00 0.37 N ATOM 820 CA LEU A 56 9.463 -3.098 -0.839 1.00 0.44 C ATOM 821 C LEU A 56 10.329 -4.117 -1.562 1.00 0.44 C ATOM 822 O LEU A 56 11.286 -4.634 -0.985 1.00 0.53 O ATOM 823 CB LEU A 56 10.369 -2.102 -0.105 1.00 0.53 C ATOM 824 CG LEU A 56 9.659 -1.142 0.851 1.00 0.81 C ATOM 825 CD1 LEU A 56 10.658 -0.503 1.802 1.00 1.53 C ATOM 826 CD2 LEU A 56 8.912 -0.071 0.077 1.00 1.27 C ATOM 0 H LEU A 56 8.939 -3.741 1.075 1.00 0.37 H new ATOM 0 HA LEU A 56 8.842 -2.564 -1.558 1.00 0.44 H new ATOM 0 HB2 LEU A 56 11.114 -2.663 0.459 1.00 0.53 H new ATOM 0 HB3 LEU A 56 10.909 -1.514 -0.847 1.00 0.53 H new ATOM 0 HG LEU A 56 8.937 -1.713 1.435 1.00 0.81 H new ATOM 0 HD11 LEU A 56 10.136 0.177 2.475 1.00 1.53 H new ATOM 0 HD12 LEU A 56 11.154 -1.280 2.384 1.00 1.53 H new ATOM 0 HD13 LEU A 56 11.401 0.052 1.230 1.00 1.53 H new ATOM 0 HD21 LEU A 56 8.414 0.602 0.775 1.00 1.27 H new ATOM 0 HD22 LEU A 56 9.616 0.495 -0.533 1.00 1.27 H new ATOM 0 HD23 LEU A 56 8.169 -0.540 -0.568 1.00 1.27 H new ATOM 838 N ILE A 57 9.999 -4.414 -2.809 1.00 0.42 N ATOM 839 CA ILE A 57 10.743 -5.407 -3.558 1.00 0.45 C ATOM 840 C ILE A 57 11.580 -4.722 -4.631 1.00 0.46 C ATOM 841 O ILE A 57 11.139 -3.766 -5.254 1.00 0.52 O ATOM 842 CB ILE A 57 9.809 -6.472 -4.195 1.00 0.53 C ATOM 843 CG1 ILE A 57 10.624 -7.656 -4.720 1.00 0.57 C ATOM 844 CG2 ILE A 57 8.972 -5.873 -5.313 1.00 0.62 C ATOM 845 CD1 ILE A 57 11.379 -8.405 -3.642 1.00 0.57 C ATOM 0 H ILE A 57 9.227 -3.984 -3.318 1.00 0.42 H new ATOM 0 HA ILE A 57 11.400 -5.929 -2.863 1.00 0.45 H new ATOM 0 HB ILE A 57 9.132 -6.828 -3.418 1.00 0.53 H new ATOM 0 HG12 ILE A 57 9.954 -8.349 -5.229 1.00 0.57 H new ATOM 0 HG13 ILE A 57 11.334 -7.295 -5.464 1.00 0.57 H new ATOM 0 HG21 ILE A 57 8.329 -6.643 -5.739 1.00 0.62 H new ATOM 0 HG22 ILE A 57 8.357 -5.066 -4.915 1.00 0.62 H new ATOM 0 HG23 ILE A 57 9.629 -5.480 -6.089 1.00 0.62 H new ATOM 0 HD11 ILE A 57 11.932 -9.230 -4.091 1.00 0.57 H new ATOM 0 HD12 ILE A 57 12.075 -7.727 -3.148 1.00 0.57 H new ATOM 0 HD13 ILE A 57 10.674 -8.798 -2.910 1.00 0.57 H new ATOM 857 N SER A 58 12.803 -5.176 -4.805 1.00 0.52 N ATOM 858 CA SER A 58 13.680 -4.635 -5.817 1.00 0.62 C ATOM 859 C SER A 58 13.393 -5.292 -7.156 1.00 0.72 C ATOM 860 O SER A 58 12.707 -6.313 -7.215 1.00 0.77 O ATOM 861 CB SER A 58 15.134 -4.858 -5.397 1.00 0.78 C ATOM 862 OG SER A 58 15.275 -6.092 -4.703 1.00 1.44 O ATOM 0 H SER A 58 13.214 -5.927 -4.251 1.00 0.52 H new ATOM 0 HA SER A 58 13.507 -3.564 -5.922 1.00 0.62 H new ATOM 0 HB2 SER A 58 15.776 -4.855 -6.278 1.00 0.78 H new ATOM 0 HB3 SER A 58 15.463 -4.037 -4.760 1.00 0.78 H new ATOM 0 HG SER A 58 15.066 -5.960 -3.755 1.00 1.44 H new ATOM 868 N ASP A 59 13.912 -4.708 -8.224 1.00 0.97 N ATOM 869 CA ASP A 59 13.759 -5.282 -9.556 1.00 1.18 C ATOM 870 C ASP A 59 14.518 -6.601 -9.616 1.00 1.20 C ATOM 871 O ASP A 59 14.167 -7.512 -10.365 1.00 1.34 O ATOM 872 CB ASP A 59 14.294 -4.324 -10.626 1.00 1.57 C ATOM 873 CG ASP A 59 13.862 -2.888 -10.397 1.00 1.80 C ATOM 874 OD1 ASP A 59 14.515 -2.202 -9.579 1.00 2.31 O ATOM 875 OD2 ASP A 59 12.885 -2.435 -11.033 1.00 2.17 O ATOM 0 H ASP A 59 14.443 -3.837 -8.197 1.00 0.97 H new ATOM 0 HA ASP A 59 12.700 -5.452 -9.751 1.00 1.18 H new ATOM 0 HB2 ASP A 59 15.383 -4.373 -10.640 1.00 1.57 H new ATOM 0 HB3 ASP A 59 13.947 -4.651 -11.606 1.00 1.57 H new ATOM 880 N ASN A 60 15.564 -6.686 -8.799 1.00 1.26 N ATOM 881 CA ASN A 60 16.358 -7.901 -8.666 1.00 1.52 C ATOM 882 C ASN A 60 15.668 -8.891 -7.726 1.00 1.40 C ATOM 883 O ASN A 60 15.941 -10.093 -7.761 1.00 1.74 O ATOM 884 CB ASN A 60 17.751 -7.554 -8.136 1.00 1.82 C ATOM 885 CG ASN A 60 18.701 -8.735 -8.151 1.00 2.52 C ATOM 886 OD1 ASN A 60 18.784 -9.496 -7.187 1.00 3.09 O ATOM 887 ND2 ASN A 60 19.430 -8.885 -9.244 1.00 3.05 N ATOM 0 H ASN A 60 15.884 -5.915 -8.212 1.00 1.26 H new ATOM 0 HA ASN A 60 16.454 -8.367 -9.647 1.00 1.52 H new ATOM 0 HB2 ASN A 60 18.172 -6.748 -8.737 1.00 1.82 H new ATOM 0 HB3 ASN A 60 17.663 -7.179 -7.117 1.00 1.82 H new ATOM 0 HD21 ASN A 60 20.094 -9.656 -9.312 1.00 3.05 H new ATOM 0 HD22 ASN A 60 19.328 -8.230 -10.019 1.00 3.05 H new ATOM 894 N ASN A 61 14.763 -8.365 -6.895 1.00 1.11 N ATOM 895 CA ASN A 61 13.986 -9.165 -5.939 1.00 1.06 C ATOM 896 C ASN A 61 14.883 -9.748 -4.845 1.00 1.11 C ATOM 897 O ASN A 61 14.565 -10.780 -4.253 1.00 1.55 O ATOM 898 CB ASN A 61 13.223 -10.297 -6.650 1.00 1.29 C ATOM 899 CG ASN A 61 12.309 -9.798 -7.755 1.00 1.85 C ATOM 900 OD1 ASN A 61 12.718 -9.696 -8.911 1.00 2.62 O ATOM 901 ND2 ASN A 61 11.064 -9.507 -7.418 1.00 2.37 N ATOM 0 H ASN A 61 14.547 -7.369 -6.865 1.00 1.11 H new ATOM 0 HA ASN A 61 13.262 -8.496 -5.474 1.00 1.06 H new ATOM 0 HB2 ASN A 61 13.940 -11.002 -7.071 1.00 1.29 H new ATOM 0 HB3 ASN A 61 12.631 -10.844 -5.917 1.00 1.29 H new ATOM 0 HD21 ASN A 61 10.406 -9.185 -8.127 1.00 2.37 H new ATOM 0 HD22 ASN A 61 10.762 -9.604 -6.449 1.00 2.37 H new ATOM 908 N ARG A 62 15.982 -9.064 -4.554 1.00 0.98 N ATOM 909 CA ARG A 62 16.939 -9.560 -3.569 1.00 1.06 C ATOM 910 C ARG A 62 16.573 -9.096 -2.155 1.00 0.90 C ATOM 911 O ARG A 62 16.576 -9.889 -1.216 1.00 1.01 O ATOM 912 CB ARG A 62 18.367 -9.119 -3.921 1.00 1.27 C ATOM 913 CG ARG A 62 18.581 -7.617 -3.872 1.00 1.79 C ATOM 914 CD ARG A 62 20.041 -7.250 -4.053 1.00 2.44 C ATOM 915 NE ARG A 62 20.332 -5.921 -3.512 1.00 3.13 N ATOM 916 CZ ARG A 62 21.383 -5.187 -3.862 1.00 3.67 C ATOM 917 NH1 ARG A 62 22.195 -5.601 -4.826 1.00 3.55 N ATOM 918 NH2 ARG A 62 21.607 -4.024 -3.265 1.00 4.66 N ATOM 0 H ARG A 62 16.233 -8.172 -4.981 1.00 0.98 H new ATOM 0 HA ARG A 62 16.897 -10.649 -3.591 1.00 1.06 H new ATOM 0 HB2 ARG A 62 19.064 -9.597 -3.232 1.00 1.27 H new ATOM 0 HB3 ARG A 62 18.611 -9.478 -4.921 1.00 1.27 H new ATOM 0 HG2 ARG A 62 17.987 -7.140 -4.651 1.00 1.79 H new ATOM 0 HG3 ARG A 62 18.225 -7.230 -2.917 1.00 1.79 H new ATOM 0 HD2 ARG A 62 20.668 -7.991 -3.557 1.00 2.44 H new ATOM 0 HD3 ARG A 62 20.295 -7.276 -5.113 1.00 2.44 H new ATOM 0 HE ARG A 62 19.687 -5.534 -2.823 1.00 3.13 H new ATOM 0 HH11 ARG A 62 22.013 -6.485 -5.301 1.00 3.55 H new ATOM 0 HH12 ARG A 62 23.001 -5.035 -5.092 1.00 3.55 H new ATOM 0 HH21 ARG A 62 20.973 -3.694 -2.538 1.00 4.66 H new ATOM 0 HH22 ARG A 62 22.414 -3.460 -3.533 1.00 4.66 H new ATOM 932 N ASP A 63 16.255 -7.814 -2.005 1.00 0.81 N ATOM 933 CA ASP A 63 15.906 -7.265 -0.697 1.00 0.75 C ATOM 934 C ASP A 63 14.419 -6.983 -0.636 1.00 0.61 C ATOM 935 O ASP A 63 13.824 -6.555 -1.632 1.00 0.69 O ATOM 936 CB ASP A 63 16.641 -5.949 -0.404 1.00 0.92 C ATOM 937 CG ASP A 63 18.107 -5.951 -0.775 1.00 1.70 C ATOM 938 OD1 ASP A 63 18.888 -6.650 -0.094 1.00 2.02 O ATOM 939 OD2 ASP A 63 18.486 -5.276 -1.753 1.00 2.51 O ATOM 0 H ASP A 63 16.231 -7.138 -2.768 1.00 0.81 H new ATOM 0 HA ASP A 63 16.200 -8.009 0.043 1.00 0.75 H new ATOM 0 HB2 ASP A 63 16.144 -5.143 -0.944 1.00 0.92 H new ATOM 0 HB3 ASP A 63 16.549 -5.725 0.659 1.00 0.92 H new ATOM 944 N LYS A 64 13.825 -7.208 0.523 1.00 0.51 N ATOM 945 CA LYS A 64 12.433 -6.864 0.741 1.00 0.48 C ATOM 946 C LYS A 64 12.246 -6.276 2.136 1.00 0.52 C ATOM 947 O LYS A 64 13.046 -6.526 3.035 1.00 0.86 O ATOM 948 CB LYS A 64 11.527 -8.089 0.520 1.00 0.57 C ATOM 949 CG LYS A 64 11.827 -9.284 1.418 1.00 0.65 C ATOM 950 CD LYS A 64 11.113 -9.183 2.756 1.00 0.84 C ATOM 951 CE LYS A 64 11.478 -10.341 3.675 1.00 1.52 C ATOM 952 NZ LYS A 64 11.137 -11.665 3.084 1.00 2.07 N ATOM 0 H LYS A 64 14.287 -7.629 1.329 1.00 0.51 H new ATOM 0 HA LYS A 64 12.142 -6.106 0.014 1.00 0.48 H new ATOM 0 HB2 LYS A 64 10.491 -7.788 0.675 1.00 0.57 H new ATOM 0 HB3 LYS A 64 11.615 -8.404 -0.520 1.00 0.57 H new ATOM 0 HG2 LYS A 64 11.524 -10.202 0.914 1.00 0.65 H new ATOM 0 HG3 LYS A 64 12.902 -9.352 1.585 1.00 0.65 H new ATOM 0 HD2 LYS A 64 11.373 -8.240 3.237 1.00 0.84 H new ATOM 0 HD3 LYS A 64 10.035 -9.172 2.594 1.00 0.84 H new ATOM 0 HE2 LYS A 64 12.546 -10.307 3.891 1.00 1.52 H new ATOM 0 HE3 LYS A 64 10.957 -10.225 4.625 1.00 1.52 H new ATOM 0 HZ1 LYS A 64 11.245 -12.406 3.806 1.00 2.07 H new ATOM 0 HZ2 LYS A 64 10.154 -11.651 2.746 1.00 2.07 H new ATOM 0 HZ3 LYS A 64 11.774 -11.864 2.287 1.00 2.07 H new ATOM 966 N LEU A 65 11.218 -5.454 2.285 1.00 0.34 N ATOM 967 CA LEU A 65 10.875 -4.845 3.559 1.00 0.34 C ATOM 968 C LEU A 65 9.387 -4.526 3.555 1.00 0.38 C ATOM 969 O LEU A 65 8.934 -3.741 2.729 1.00 0.72 O ATOM 970 CB LEU A 65 11.652 -3.546 3.733 1.00 0.52 C ATOM 971 CG LEU A 65 12.032 -3.160 5.158 1.00 1.18 C ATOM 972 CD1 LEU A 65 12.596 -1.748 5.180 1.00 1.98 C ATOM 973 CD2 LEU A 65 10.847 -3.280 6.107 1.00 1.96 C ATOM 0 H LEU A 65 10.596 -5.190 1.521 1.00 0.34 H new ATOM 0 HA LEU A 65 11.121 -5.528 4.372 1.00 0.34 H new ATOM 0 HB2 LEU A 65 12.567 -3.615 3.144 1.00 0.52 H new ATOM 0 HB3 LEU A 65 11.060 -2.736 3.308 1.00 0.52 H new ATOM 0 HG LEU A 65 12.797 -3.855 5.504 1.00 1.18 H new ATOM 0 HD11 LEU A 65 12.865 -1.480 6.202 1.00 1.98 H new ATOM 0 HD12 LEU A 65 13.482 -1.700 4.547 1.00 1.98 H new ATOM 0 HD13 LEU A 65 11.846 -1.051 4.807 1.00 1.98 H new ATOM 0 HD21 LEU A 65 11.156 -2.997 7.113 1.00 1.96 H new ATOM 0 HD22 LEU A 65 10.046 -2.620 5.774 1.00 1.96 H new ATOM 0 HD23 LEU A 65 10.489 -4.310 6.114 1.00 1.96 H new ATOM 985 N TYR A 66 8.635 -5.119 4.462 1.00 0.32 N ATOM 986 CA TYR A 66 7.190 -4.930 4.480 1.00 0.34 C ATOM 987 C TYR A 66 6.858 -3.510 4.910 1.00 0.36 C ATOM 988 O TYR A 66 7.485 -2.960 5.816 1.00 0.44 O ATOM 989 CB TYR A 66 6.510 -5.930 5.421 1.00 0.39 C ATOM 990 CG TYR A 66 7.092 -7.324 5.356 1.00 0.41 C ATOM 991 CD1 TYR A 66 8.332 -7.611 5.908 1.00 0.55 C ATOM 992 CD2 TYR A 66 6.394 -8.355 4.737 1.00 0.50 C ATOM 993 CE1 TYR A 66 8.864 -8.885 5.842 1.00 0.64 C ATOM 994 CE2 TYR A 66 6.918 -9.628 4.669 1.00 0.59 C ATOM 995 CZ TYR A 66 8.171 -9.882 5.249 1.00 0.62 C ATOM 996 OH TYR A 66 8.677 -11.159 5.155 1.00 0.75 O ATOM 0 H TYR A 66 8.994 -5.733 5.193 1.00 0.32 H new ATOM 0 HA TYR A 66 6.815 -5.103 3.471 1.00 0.34 H new ATOM 0 HB2 TYR A 66 6.587 -5.562 6.444 1.00 0.39 H new ATOM 0 HB3 TYR A 66 5.448 -5.978 5.179 1.00 0.39 H new ATOM 0 HD1 TYR A 66 8.890 -6.827 6.397 1.00 0.55 H new ATOM 0 HD2 TYR A 66 5.426 -8.155 4.302 1.00 0.50 H new ATOM 0 HE1 TYR A 66 9.837 -9.084 6.266 1.00 0.64 H new ATOM 0 HE2 TYR A 66 6.372 -10.419 4.176 1.00 0.59 H new ATOM 0 HH TYR A 66 8.030 -11.734 4.696 1.00 0.75 H new ATOM 1006 N VAL A 67 5.882 -2.918 4.253 1.00 0.35 N ATOM 1007 CA VAL A 67 5.498 -1.551 4.546 1.00 0.38 C ATOM 1008 C VAL A 67 4.072 -1.488 5.047 1.00 0.40 C ATOM 1009 O VAL A 67 3.392 -2.507 5.134 1.00 0.73 O ATOM 1010 CB VAL A 67 5.646 -0.635 3.317 1.00 0.49 C ATOM 1011 CG1 VAL A 67 7.112 -0.413 3.002 1.00 0.67 C ATOM 1012 CG2 VAL A 67 4.920 -1.218 2.111 1.00 0.60 C ATOM 0 H VAL A 67 5.339 -3.362 3.512 1.00 0.35 H new ATOM 0 HA VAL A 67 6.174 -1.195 5.323 1.00 0.38 H new ATOM 0 HB VAL A 67 5.189 0.327 3.550 1.00 0.49 H new ATOM 0 HG11 VAL A 67 7.203 0.236 2.131 1.00 0.67 H new ATOM 0 HG12 VAL A 67 7.601 0.055 3.856 1.00 0.67 H new ATOM 0 HG13 VAL A 67 7.588 -1.371 2.792 1.00 0.67 H new ATOM 0 HG21 VAL A 67 5.040 -0.552 1.257 1.00 0.60 H new ATOM 0 HG22 VAL A 67 5.340 -2.195 1.871 1.00 0.60 H new ATOM 0 HG23 VAL A 67 3.860 -1.325 2.341 1.00 0.60 H new ATOM 1022 N ASN A 68 3.644 -0.297 5.411 1.00 0.42 N ATOM 1023 CA ASN A 68 2.271 -0.057 5.818 1.00 0.49 C ATOM 1024 C ASN A 68 1.743 1.185 5.126 1.00 0.43 C ATOM 1025 O ASN A 68 2.222 2.286 5.386 1.00 0.50 O ATOM 1026 CB ASN A 68 2.172 0.128 7.339 1.00 0.74 C ATOM 1027 CG ASN A 68 1.829 -1.146 8.097 1.00 0.99 C ATOM 1028 OD1 ASN A 68 1.191 -1.089 9.149 1.00 1.81 O ATOM 1029 ND2 ASN A 68 2.241 -2.297 7.586 1.00 1.60 N ATOM 0 H ASN A 68 4.236 0.533 5.434 1.00 0.42 H new ATOM 0 HA ASN A 68 1.674 -0.924 5.534 1.00 0.49 H new ATOM 0 HB2 ASN A 68 3.121 0.515 7.710 1.00 0.74 H new ATOM 0 HB3 ASN A 68 1.415 0.882 7.554 1.00 0.74 H new ATOM 0 HD21 ASN A 68 2.032 -3.172 8.066 1.00 1.60 H new ATOM 0 HD22 ASN A 68 2.767 -2.308 6.712 1.00 1.60 H new ATOM 1036 N ILE A 69 0.794 1.010 4.216 1.00 0.42 N ATOM 1037 CA ILE A 69 0.108 2.150 3.629 1.00 0.41 C ATOM 1038 C ILE A 69 -1.068 2.532 4.509 1.00 0.41 C ATOM 1039 O ILE A 69 -2.197 2.088 4.308 1.00 0.50 O ATOM 1040 CB ILE A 69 -0.371 1.885 2.182 1.00 0.50 C ATOM 1041 CG1 ILE A 69 -0.394 0.382 1.887 1.00 0.48 C ATOM 1042 CG2 ILE A 69 0.517 2.620 1.189 1.00 0.81 C ATOM 1043 CD1 ILE A 69 -0.842 0.036 0.482 1.00 0.74 C ATOM 0 H ILE A 69 0.485 0.101 3.872 1.00 0.42 H new ATOM 0 HA ILE A 69 0.823 2.971 3.573 1.00 0.41 H new ATOM 0 HB ILE A 69 -1.388 2.263 2.078 1.00 0.50 H new ATOM 0 HG12 ILE A 69 0.604 -0.025 2.049 1.00 0.48 H new ATOM 0 HG13 ILE A 69 -1.058 -0.107 2.600 1.00 0.48 H new ATOM 0 HG21 ILE A 69 0.168 2.424 0.175 1.00 0.81 H new ATOM 0 HG22 ILE A 69 0.475 3.691 1.387 1.00 0.81 H new ATOM 0 HG23 ILE A 69 1.545 2.272 1.293 1.00 0.81 H new ATOM 0 HD11 ILE A 69 -0.831 -1.046 0.353 1.00 0.74 H new ATOM 0 HD12 ILE A 69 -1.853 0.411 0.320 1.00 0.74 H new ATOM 0 HD13 ILE A 69 -0.165 0.494 -0.239 1.00 0.74 H new ATOM 1055 N ARG A 70 -0.771 3.342 5.507 1.00 0.43 N ATOM 1056 CA ARG A 70 -1.733 3.698 6.533 1.00 0.45 C ATOM 1057 C ARG A 70 -2.286 5.089 6.280 1.00 0.39 C ATOM 1058 O ARG A 70 -1.535 5.998 5.914 1.00 0.41 O ATOM 1059 CB ARG A 70 -1.058 3.631 7.907 1.00 0.55 C ATOM 1060 CG ARG A 70 -1.911 4.133 9.060 1.00 1.33 C ATOM 1061 CD ARG A 70 -1.091 4.222 10.336 1.00 1.39 C ATOM 1062 NE ARG A 70 -1.871 4.714 11.468 1.00 2.23 N ATOM 1063 CZ ARG A 70 -1.614 5.852 12.112 1.00 2.69 C ATOM 1064 NH1 ARG A 70 -0.673 6.676 11.666 1.00 2.42 N ATOM 1065 NH2 ARG A 70 -2.308 6.177 13.192 1.00 3.79 N ATOM 0 H ARG A 70 0.146 3.773 5.630 1.00 0.43 H new ATOM 0 HA ARG A 70 -2.564 2.993 6.507 1.00 0.45 H new ATOM 0 HB2 ARG A 70 -0.773 2.598 8.107 1.00 0.55 H new ATOM 0 HB3 ARG A 70 -0.138 4.214 7.873 1.00 0.55 H new ATOM 0 HG2 ARG A 70 -2.321 5.113 8.816 1.00 1.33 H new ATOM 0 HG3 ARG A 70 -2.757 3.463 9.212 1.00 1.33 H new ATOM 0 HD2 ARG A 70 -0.690 3.237 10.576 1.00 1.39 H new ATOM 0 HD3 ARG A 70 -0.239 4.882 10.172 1.00 1.39 H new ATOM 0 HE ARG A 70 -2.661 4.152 11.785 1.00 2.23 H new ATOM 0 HH11 ARG A 70 -0.143 6.439 10.827 1.00 2.42 H new ATOM 0 HH12 ARG A 70 -0.480 7.546 12.162 1.00 2.42 H new ATOM 0 HH21 ARG A 70 -3.041 5.556 13.533 1.00 3.79 H new ATOM 0 HH22 ARG A 70 -2.109 7.049 13.683 1.00 3.79 H new ATOM 1079 N PRO A 71 -3.611 5.256 6.431 1.00 0.40 N ATOM 1080 CA PRO A 71 -4.271 6.547 6.302 1.00 0.44 C ATOM 1081 C PRO A 71 -3.538 7.646 7.053 1.00 0.47 C ATOM 1082 O PRO A 71 -3.509 7.665 8.286 1.00 0.55 O ATOM 1083 CB PRO A 71 -5.661 6.330 6.903 1.00 0.59 C ATOM 1084 CG PRO A 71 -5.754 4.891 7.289 1.00 0.54 C ATOM 1085 CD PRO A 71 -4.573 4.182 6.694 1.00 0.50 C ATOM 0 HA PRO A 71 -4.300 6.873 5.262 1.00 0.44 H new ATOM 0 HB2 PRO A 71 -5.809 6.972 7.771 1.00 0.59 H new ATOM 0 HB3 PRO A 71 -6.437 6.586 6.181 1.00 0.59 H new ATOM 0 HG2 PRO A 71 -5.757 4.785 8.374 1.00 0.54 H new ATOM 0 HG3 PRO A 71 -6.685 4.456 6.924 1.00 0.54 H new ATOM 0 HD2 PRO A 71 -4.165 3.440 7.381 1.00 0.50 H new ATOM 0 HD3 PRO A 71 -4.843 3.655 5.779 1.00 0.50 H new ATOM 1093 N MET A 72 -2.946 8.555 6.303 1.00 0.52 N ATOM 1094 CA MET A 72 -2.162 9.619 6.888 1.00 0.65 C ATOM 1095 C MET A 72 -3.073 10.743 7.350 1.00 0.81 C ATOM 1096 O MET A 72 -3.526 11.562 6.545 1.00 1.66 O ATOM 1097 CB MET A 72 -1.119 10.137 5.890 1.00 0.75 C ATOM 1098 CG MET A 72 -0.247 11.253 6.445 1.00 0.89 C ATOM 1099 SD MET A 72 0.994 11.819 5.267 1.00 1.54 S ATOM 1100 CE MET A 72 1.812 13.091 6.227 1.00 1.71 C ATOM 0 H MET A 72 -2.995 8.576 5.284 1.00 0.52 H new ATOM 0 HA MET A 72 -1.629 9.225 7.754 1.00 0.65 H new ATOM 0 HB2 MET A 72 -0.481 9.309 5.581 1.00 0.75 H new ATOM 0 HB3 MET A 72 -1.630 10.497 4.997 1.00 0.75 H new ATOM 0 HG2 MET A 72 -0.879 12.093 6.732 1.00 0.89 H new ATOM 0 HG3 MET A 72 0.250 10.904 7.350 1.00 0.89 H new ATOM 0 HE1 MET A 72 2.609 13.539 5.633 1.00 1.71 H new ATOM 0 HE2 MET A 72 1.090 13.859 6.503 1.00 1.71 H new ATOM 0 HE3 MET A 72 2.236 12.650 7.129 1.00 1.71 H new ATOM 1110 N ASP A 73 -3.385 10.721 8.643 1.00 0.85 N ATOM 1111 CA ASP A 73 -4.162 11.778 9.293 1.00 0.91 C ATOM 1112 C ASP A 73 -5.629 11.726 8.854 1.00 0.97 C ATOM 1113 O ASP A 73 -6.382 12.681 9.037 1.00 1.54 O ATOM 1114 CB ASP A 73 -3.544 13.152 8.985 1.00 1.06 C ATOM 1115 CG ASP A 73 -4.045 14.257 9.894 1.00 1.38 C ATOM 1116 OD1 ASP A 73 -3.624 14.295 11.069 1.00 1.74 O ATOM 1117 OD2 ASP A 73 -4.838 15.105 9.435 1.00 1.92 O ATOM 0 H ASP A 73 -3.106 9.969 9.273 1.00 0.85 H new ATOM 0 HA ASP A 73 -4.133 11.619 10.371 1.00 0.91 H new ATOM 0 HB2 ASP A 73 -2.460 13.082 9.074 1.00 1.06 H new ATOM 0 HB3 ASP A 73 -3.762 13.416 7.950 1.00 1.06 H new ATOM 1122 N ASN A 74 -6.047 10.593 8.295 1.00 0.80 N ATOM 1123 CA ASN A 74 -7.415 10.456 7.806 1.00 0.90 C ATOM 1124 C ASN A 74 -8.097 9.202 8.351 1.00 1.03 C ATOM 1125 O ASN A 74 -8.177 8.182 7.667 1.00 1.89 O ATOM 1126 CB ASN A 74 -7.455 10.446 6.273 1.00 0.90 C ATOM 1127 CG ASN A 74 -7.365 11.829 5.659 1.00 1.11 C ATOM 1128 OD1 ASN A 74 -8.380 12.499 5.466 1.00 1.73 O ATOM 1129 ND2 ASN A 74 -6.158 12.261 5.331 1.00 1.21 N ATOM 0 H ASN A 74 -5.465 9.765 8.170 1.00 0.80 H new ATOM 0 HA ASN A 74 -7.965 11.324 8.170 1.00 0.90 H new ATOM 0 HB2 ASN A 74 -6.632 9.837 5.900 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -8.379 9.970 5.944 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -6.044 13.179 4.902 1.00 1.21 H new ATOM 0 HD22 ASN A 74 -5.341 11.676 5.507 1.00 1.21 H new ATOM 1136 N SER A 75 -8.560 9.288 9.597 1.00 0.90 N ATOM 1137 CA SER A 75 -9.386 8.249 10.219 1.00 0.90 C ATOM 1138 C SER A 75 -8.590 6.964 10.471 1.00 0.84 C ATOM 1139 O SER A 75 -7.366 6.931 10.321 1.00 0.93 O ATOM 1140 CB SER A 75 -10.629 7.965 9.357 1.00 0.93 C ATOM 1141 OG SER A 75 -11.583 7.173 10.052 1.00 1.70 O ATOM 0 H SER A 75 -8.373 10.083 10.208 1.00 0.90 H new ATOM 0 HA SER A 75 -9.712 8.621 11.190 1.00 0.90 H new ATOM 0 HB2 SER A 75 -11.087 8.908 9.058 1.00 0.93 H new ATOM 0 HB3 SER A 75 -10.328 7.453 8.443 1.00 0.93 H new ATOM 0 HG SER A 75 -11.629 6.283 9.644 1.00 1.70 H new ATOM 1147 N ALA A 76 -9.296 5.919 10.882 1.00 0.82 N ATOM 1148 CA ALA A 76 -8.683 4.642 11.201 1.00 0.78 C ATOM 1149 C ALA A 76 -9.219 3.552 10.285 1.00 0.63 C ATOM 1150 O ALA A 76 -10.404 3.536 9.957 1.00 0.77 O ATOM 1151 CB ALA A 76 -8.940 4.278 12.655 1.00 0.94 C ATOM 0 H ALA A 76 -10.309 5.935 11.003 1.00 0.82 H new ATOM 0 HA ALA A 76 -7.607 4.729 11.048 1.00 0.78 H new ATOM 0 HB1 ALA A 76 -8.474 3.318 12.878 1.00 0.94 H new ATOM 0 HB2 ALA A 76 -8.517 5.046 13.303 1.00 0.94 H new ATOM 0 HB3 ALA A 76 -10.014 4.209 12.828 1.00 0.94 H new ATOM 1157 N TRP A 77 -8.344 2.648 9.875 1.00 0.47 N ATOM 1158 CA TRP A 77 -8.718 1.568 8.967 1.00 0.38 C ATOM 1159 C TRP A 77 -8.392 0.214 9.582 1.00 0.40 C ATOM 1160 O TRP A 77 -7.612 0.129 10.531 1.00 0.50 O ATOM 1161 CB TRP A 77 -7.964 1.699 7.643 1.00 0.35 C ATOM 1162 CG TRP A 77 -8.477 2.767 6.721 1.00 0.31 C ATOM 1163 CD1 TRP A 77 -9.140 3.916 7.052 1.00 0.30 C ATOM 1164 CD2 TRP A 77 -8.342 2.781 5.299 1.00 0.32 C ATOM 1165 NE1 TRP A 77 -9.442 4.627 5.916 1.00 0.31 N ATOM 1166 CE2 TRP A 77 -8.956 3.953 4.829 1.00 0.32 C ATOM 1167 CE3 TRP A 77 -7.763 1.909 4.377 1.00 0.37 C ATOM 1168 CZ2 TRP A 77 -9.005 4.273 3.479 1.00 0.37 C ATOM 1169 CZ3 TRP A 77 -7.811 2.228 3.037 1.00 0.42 C ATOM 1170 CH2 TRP A 77 -8.429 3.403 2.599 1.00 0.42 C ATOM 0 H TRP A 77 -7.364 2.638 10.157 1.00 0.47 H new ATOM 0 HA TRP A 77 -9.791 1.639 8.789 1.00 0.38 H new ATOM 0 HB2 TRP A 77 -6.915 1.900 7.859 1.00 0.35 H new ATOM 0 HB3 TRP A 77 -8.005 0.742 7.123 1.00 0.35 H new ATOM 0 HD1 TRP A 77 -9.389 4.220 8.058 1.00 0.30 H new ATOM 0 HE1 TRP A 77 -9.946 5.513 5.888 1.00 0.31 H new ATOM 0 HE3 TRP A 77 -7.285 0.999 4.708 1.00 0.37 H new ATOM 0 HZ2 TRP A 77 -9.483 5.179 3.137 1.00 0.37 H new ATOM 0 HZ3 TRP A 77 -7.365 1.560 2.315 1.00 0.42 H new ATOM 0 HH2 TRP A 77 -8.451 3.627 1.543 1.00 0.42 H new ATOM 1181 N THR A 78 -8.987 -0.837 9.035 1.00 0.38 N ATOM 1182 CA THR A 78 -8.624 -2.191 9.402 1.00 0.40 C ATOM 1183 C THR A 78 -7.304 -2.545 8.725 1.00 0.36 C ATOM 1184 O THR A 78 -7.251 -2.780 7.514 1.00 0.37 O ATOM 1185 CB THR A 78 -9.718 -3.199 8.993 1.00 0.45 C ATOM 1186 OG1 THR A 78 -10.988 -2.776 9.512 1.00 0.51 O ATOM 1187 CG2 THR A 78 -9.396 -4.593 9.512 1.00 0.49 C ATOM 0 H THR A 78 -9.725 -0.773 8.334 1.00 0.38 H new ATOM 0 HA THR A 78 -8.518 -2.246 10.485 1.00 0.40 H new ATOM 0 HB THR A 78 -9.759 -3.235 7.904 1.00 0.45 H new ATOM 0 HG1 THR A 78 -11.680 -3.418 9.248 1.00 0.51 H new ATOM 0 HG21 THR A 78 -10.183 -5.284 9.210 1.00 0.49 H new ATOM 0 HG22 THR A 78 -8.443 -4.924 9.098 1.00 0.49 H new ATOM 0 HG23 THR A 78 -9.331 -4.570 10.600 1.00 0.49 H new ATOM 1195 N THR A 79 -6.242 -2.554 9.508 1.00 0.41 N ATOM 1196 CA THR A 79 -4.898 -2.662 8.974 1.00 0.40 C ATOM 1197 C THR A 79 -4.403 -4.103 8.926 1.00 0.38 C ATOM 1198 O THR A 79 -4.174 -4.747 9.954 1.00 0.50 O ATOM 1199 CB THR A 79 -3.913 -1.782 9.782 1.00 0.51 C ATOM 1200 OG1 THR A 79 -2.557 -2.050 9.395 1.00 0.53 O ATOM 1201 CG2 THR A 79 -4.071 -1.990 11.285 1.00 0.59 C ATOM 0 H THR A 79 -6.286 -2.487 10.525 1.00 0.41 H new ATOM 0 HA THR A 79 -4.939 -2.300 7.947 1.00 0.40 H new ATOM 0 HB THR A 79 -4.152 -0.743 9.556 1.00 0.51 H new ATOM 0 HG1 THR A 79 -2.341 -1.542 8.585 1.00 0.53 H new ATOM 0 HG21 THR A 79 -3.362 -1.355 11.817 1.00 0.59 H new ATOM 0 HG22 THR A 79 -5.086 -1.730 11.584 1.00 0.59 H new ATOM 0 HG23 THR A 79 -3.877 -3.034 11.530 1.00 0.59 H new ATOM 1209 N ASP A 80 -4.276 -4.613 7.717 1.00 0.33 N ATOM 1210 CA ASP A 80 -3.566 -5.852 7.477 1.00 0.32 C ATOM 1211 C ASP A 80 -2.284 -5.522 6.723 1.00 0.36 C ATOM 1212 O ASP A 80 -2.182 -4.453 6.121 1.00 0.40 O ATOM 1213 CB ASP A 80 -4.439 -6.832 6.684 1.00 0.34 C ATOM 1214 CG ASP A 80 -3.721 -8.122 6.350 1.00 1.08 C ATOM 1215 OD1 ASP A 80 -3.547 -8.955 7.260 1.00 1.65 O ATOM 1216 OD2 ASP A 80 -3.346 -8.320 5.176 1.00 1.70 O ATOM 0 H ASP A 80 -4.661 -4.182 6.877 1.00 0.33 H new ATOM 0 HA ASP A 80 -3.322 -6.336 8.423 1.00 0.32 H new ATOM 0 HB2 ASP A 80 -5.336 -7.060 7.260 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -4.766 -6.354 5.760 1.00 0.34 H new ATOM 1221 N ASN A 81 -1.304 -6.411 6.766 1.00 0.44 N ATOM 1222 CA ASN A 81 -0.015 -6.149 6.131 1.00 0.57 C ATOM 1223 C ASN A 81 -0.119 -6.327 4.619 1.00 0.59 C ATOM 1224 O ASN A 81 0.840 -6.075 3.894 1.00 0.72 O ATOM 1225 CB ASN A 81 1.053 -7.094 6.695 1.00 0.68 C ATOM 1226 CG ASN A 81 2.459 -6.499 6.753 1.00 0.81 C ATOM 1227 OD1 ASN A 81 3.243 -6.859 7.626 1.00 1.39 O ATOM 1228 ND2 ASN A 81 2.805 -5.618 5.827 1.00 0.80 N ATOM 0 H ASN A 81 -1.372 -7.317 7.230 1.00 0.44 H new ATOM 0 HA ASN A 81 0.272 -5.119 6.344 1.00 0.57 H new ATOM 0 HB2 ASN A 81 0.758 -7.396 7.700 1.00 0.68 H new ATOM 0 HB3 ASN A 81 1.079 -7.997 6.085 1.00 0.68 H new ATOM 0 HD21 ASN A 81 3.744 -5.220 5.827 1.00 0.80 H new ATOM 0 HD22 ASN A 81 2.132 -5.337 5.113 1.00 0.80 H new ATOM 1235 N GLY A 82 -1.281 -6.777 4.153 1.00 0.55 N ATOM 1236 CA GLY A 82 -1.491 -6.971 2.734 1.00 0.65 C ATOM 1237 C GLY A 82 -2.727 -6.260 2.220 1.00 0.48 C ATOM 1238 O GLY A 82 -2.763 -5.822 1.069 1.00 0.57 O ATOM 0 H GLY A 82 -2.083 -7.011 4.739 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -0.618 -6.611 2.190 1.00 0.65 H new ATOM 0 HA3 GLY A 82 -1.579 -8.038 2.527 1.00 0.65 H new ATOM 1242 N VAL A 83 -3.753 -6.153 3.051 1.00 0.40 N ATOM 1243 CA VAL A 83 -4.941 -5.410 2.667 1.00 0.44 C ATOM 1244 C VAL A 83 -5.206 -4.279 3.650 1.00 0.36 C ATOM 1245 O VAL A 83 -4.895 -4.390 4.832 1.00 0.38 O ATOM 1246 CB VAL A 83 -6.198 -6.304 2.554 1.00 0.67 C ATOM 1247 CG1 VAL A 83 -5.945 -7.475 1.612 1.00 1.16 C ATOM 1248 CG2 VAL A 83 -6.656 -6.797 3.919 1.00 0.67 C ATOM 0 H VAL A 83 -3.787 -6.566 3.983 1.00 0.40 H new ATOM 0 HA VAL A 83 -4.741 -5.001 1.677 1.00 0.44 H new ATOM 0 HB VAL A 83 -7.000 -5.695 2.137 1.00 0.67 H new ATOM 0 HG11 VAL A 83 -6.842 -8.091 1.548 1.00 1.16 H new ATOM 0 HG12 VAL A 83 -5.692 -7.097 0.621 1.00 1.16 H new ATOM 0 HG13 VAL A 83 -5.119 -8.076 1.992 1.00 1.16 H new ATOM 0 HG21 VAL A 83 -7.541 -7.422 3.802 1.00 0.67 H new ATOM 0 HG22 VAL A 83 -5.859 -7.379 4.382 1.00 0.67 H new ATOM 0 HG23 VAL A 83 -6.896 -5.943 4.553 1.00 0.67 H new ATOM 1258 N PHE A 84 -5.770 -3.189 3.163 1.00 0.32 N ATOM 1259 CA PHE A 84 -6.014 -2.041 4.010 1.00 0.29 C ATOM 1260 C PHE A 84 -7.361 -1.432 3.665 1.00 0.29 C ATOM 1261 O PHE A 84 -7.472 -0.734 2.669 1.00 0.30 O ATOM 1262 CB PHE A 84 -4.898 -1.013 3.809 1.00 0.33 C ATOM 1263 CG PHE A 84 -4.294 -0.504 5.083 1.00 0.30 C ATOM 1264 CD1 PHE A 84 -5.000 0.350 5.912 1.00 0.32 C ATOM 1265 CD2 PHE A 84 -3.009 -0.876 5.447 1.00 0.33 C ATOM 1266 CE1 PHE A 84 -4.437 0.824 7.079 1.00 0.36 C ATOM 1267 CE2 PHE A 84 -2.441 -0.405 6.614 1.00 0.35 C ATOM 1268 CZ PHE A 84 -3.157 0.447 7.431 1.00 0.36 C ATOM 0 H PHE A 84 -6.065 -3.076 2.193 1.00 0.32 H new ATOM 0 HA PHE A 84 -6.025 -2.351 5.055 1.00 0.29 H new ATOM 0 HB2 PHE A 84 -4.112 -1.461 3.201 1.00 0.33 H new ATOM 0 HB3 PHE A 84 -5.295 -0.169 3.245 1.00 0.33 H new ATOM 0 HD1 PHE A 84 -6.002 0.649 5.643 1.00 0.32 H new ATOM 0 HD2 PHE A 84 -2.446 -1.542 4.810 1.00 0.33 H new ATOM 0 HE1 PHE A 84 -4.998 1.490 7.717 1.00 0.36 H new ATOM 0 HE2 PHE A 84 -1.439 -0.702 6.887 1.00 0.35 H new ATOM 0 HZ PHE A 84 -2.716 0.818 8.344 1.00 0.36 H new ATOM 1278 N TYR A 85 -8.384 -1.724 4.456 1.00 0.32 N ATOM 1279 CA TYR A 85 -9.719 -1.190 4.194 1.00 0.34 C ATOM 1280 C TYR A 85 -10.302 -0.589 5.456 1.00 0.34 C ATOM 1281 O TYR A 85 -10.030 -1.071 6.552 1.00 0.35 O ATOM 1282 CB TYR A 85 -10.674 -2.267 3.646 1.00 0.38 C ATOM 1283 CG TYR A 85 -10.992 -3.400 4.594 1.00 0.40 C ATOM 1284 CD1 TYR A 85 -9.989 -4.258 5.017 1.00 0.42 C ATOM 1285 CD2 TYR A 85 -12.275 -3.587 5.098 1.00 0.45 C ATOM 1286 CE1 TYR A 85 -10.250 -5.279 5.908 1.00 0.48 C ATOM 1287 CE2 TYR A 85 -12.544 -4.603 5.998 1.00 0.51 C ATOM 1288 CZ TYR A 85 -11.626 -5.519 6.277 1.00 0.53 C ATOM 1289 OH TYR A 85 -11.783 -6.453 7.302 1.00 0.59 O ATOM 0 H TYR A 85 -8.320 -2.323 5.279 1.00 0.32 H new ATOM 0 HA TYR A 85 -9.613 -0.417 3.433 1.00 0.34 H new ATOM 0 HB2 TYR A 85 -11.608 -1.786 3.357 1.00 0.38 H new ATOM 0 HB3 TYR A 85 -10.238 -2.687 2.740 1.00 0.38 H new ATOM 0 HD1 TYR A 85 -8.985 -4.125 4.642 1.00 0.42 H new ATOM 0 HD2 TYR A 85 -13.072 -2.930 4.782 1.00 0.45 H new ATOM 0 HE1 TYR A 85 -9.451 -5.880 6.317 1.00 0.48 H new ATOM 0 HE2 TYR A 85 -13.510 -4.651 6.478 1.00 0.51 H new ATOM 0 HH TYR A 85 -10.953 -6.962 7.411 1.00 0.59 H new ATOM 1299 N LYS A 86 -11.084 0.471 5.315 1.00 0.36 N ATOM 1300 CA LYS A 86 -11.727 1.054 6.471 1.00 0.37 C ATOM 1301 C LYS A 86 -12.984 0.274 6.808 1.00 0.39 C ATOM 1302 O LYS A 86 -13.619 -0.312 5.930 1.00 0.42 O ATOM 1303 CB LYS A 86 -12.043 2.549 6.282 1.00 0.42 C ATOM 1304 CG LYS A 86 -13.282 2.880 5.459 1.00 0.57 C ATOM 1305 CD LYS A 86 -12.990 3.056 3.976 1.00 0.87 C ATOM 1306 CE LYS A 86 -14.119 3.831 3.300 1.00 0.61 C ATOM 1307 NZ LYS A 86 -13.936 3.957 1.833 1.00 1.39 N ATOM 0 H LYS A 86 -11.283 0.934 4.428 1.00 0.36 H new ATOM 0 HA LYS A 86 -11.027 0.990 7.304 1.00 0.37 H new ATOM 0 HB2 LYS A 86 -12.156 3.002 7.267 1.00 0.42 H new ATOM 0 HB3 LYS A 86 -11.182 3.023 5.810 1.00 0.42 H new ATOM 0 HG2 LYS A 86 -14.017 2.085 5.586 1.00 0.57 H new ATOM 0 HG3 LYS A 86 -13.732 3.795 5.845 1.00 0.57 H new ATOM 0 HD2 LYS A 86 -12.047 3.586 3.845 1.00 0.87 H new ATOM 0 HD3 LYS A 86 -12.876 2.081 3.503 1.00 0.87 H new ATOM 0 HE2 LYS A 86 -15.067 3.332 3.501 1.00 0.61 H new ATOM 0 HE3 LYS A 86 -14.184 4.826 3.740 1.00 0.61 H new ATOM 0 HZ1 LYS A 86 -14.575 4.691 1.465 1.00 1.39 H new ATOM 0 HZ2 LYS A 86 -12.951 4.221 1.627 1.00 1.39 H new ATOM 0 HZ3 LYS A 86 -14.154 3.048 1.377 1.00 1.39 H new ATOM 1321 N ASN A 87 -13.327 0.266 8.081 1.00 0.45 N ATOM 1322 CA ASN A 87 -14.489 -0.462 8.570 1.00 0.51 C ATOM 1323 C ASN A 87 -15.766 0.299 8.227 1.00 0.55 C ATOM 1324 O ASN A 87 -16.877 -0.229 8.318 1.00 0.83 O ATOM 1325 CB ASN A 87 -14.365 -0.663 10.081 1.00 0.61 C ATOM 1326 CG ASN A 87 -15.449 -1.561 10.654 1.00 1.35 C ATOM 1327 OD1 ASN A 87 -15.948 -2.464 9.983 1.00 2.00 O ATOM 1328 ND2 ASN A 87 -15.812 -1.325 11.904 1.00 2.12 N ATOM 0 H ASN A 87 -12.811 0.762 8.807 1.00 0.45 H new ATOM 0 HA ASN A 87 -14.537 -1.439 8.089 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -13.389 -1.093 10.305 1.00 0.61 H new ATOM 0 HB3 ASN A 87 -14.407 0.308 10.575 1.00 0.61 H new ATOM 0 HD21 ASN A 87 -16.529 -1.901 12.344 1.00 2.12 H new ATOM 0 HD22 ASN A 87 -15.375 -0.567 12.428 1.00 2.12 H new ATOM 1335 N ASP A 88 -15.595 1.550 7.831 1.00 0.51 N ATOM 1336 CA ASP A 88 -16.708 2.390 7.417 1.00 0.54 C ATOM 1337 C ASP A 88 -17.010 2.170 5.941 1.00 0.46 C ATOM 1338 O ASP A 88 -16.106 1.931 5.141 1.00 0.53 O ATOM 1339 CB ASP A 88 -16.383 3.866 7.652 1.00 0.62 C ATOM 1340 CG ASP A 88 -16.076 4.178 9.100 1.00 1.32 C ATOM 1341 OD1 ASP A 88 -17.026 4.330 9.891 1.00 1.62 O ATOM 1342 OD2 ASP A 88 -14.879 4.288 9.451 1.00 2.10 O ATOM 0 H ASP A 88 -14.686 2.010 7.787 1.00 0.51 H new ATOM 0 HA ASP A 88 -17.580 2.118 8.011 1.00 0.54 H new ATOM 0 HB2 ASP A 88 -15.529 4.147 7.036 1.00 0.62 H new ATOM 0 HB3 ASP A 88 -17.226 4.475 7.325 1.00 0.62 H new ATOM 1347 N VAL A 89 -18.276 2.250 5.574 1.00 0.54 N ATOM 1348 CA VAL A 89 -18.656 2.095 4.182 1.00 0.51 C ATOM 1349 C VAL A 89 -18.983 3.450 3.561 1.00 0.51 C ATOM 1350 O VAL A 89 -19.820 4.201 4.067 1.00 0.77 O ATOM 1351 CB VAL A 89 -19.845 1.122 4.002 1.00 0.61 C ATOM 1352 CG1 VAL A 89 -19.429 -0.294 4.359 1.00 1.05 C ATOM 1353 CG2 VAL A 89 -21.043 1.550 4.837 1.00 0.93 C ATOM 0 H VAL A 89 -19.052 2.420 6.214 1.00 0.54 H new ATOM 0 HA VAL A 89 -17.800 1.661 3.665 1.00 0.51 H new ATOM 0 HB VAL A 89 -20.142 1.148 2.954 1.00 0.61 H new ATOM 0 HG11 VAL A 89 -20.277 -0.966 4.227 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -18.612 -0.608 3.709 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -19.099 -0.325 5.397 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -21.861 0.845 4.688 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -20.765 1.565 5.891 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -21.362 2.546 4.531 1.00 0.93 H new ATOM 1363 N GLY A 90 -18.288 3.776 2.484 1.00 0.46 N ATOM 1364 CA GLY A 90 -18.531 5.023 1.800 1.00 0.46 C ATOM 1365 C GLY A 90 -17.254 5.675 1.323 1.00 0.39 C ATOM 1366 O GLY A 90 -16.284 4.991 0.981 1.00 0.43 O ATOM 0 H GLY A 90 -17.558 3.196 2.071 1.00 0.46 H new ATOM 0 HA2 GLY A 90 -19.186 4.845 0.947 1.00 0.46 H new ATOM 0 HA3 GLY A 90 -19.057 5.705 2.469 1.00 0.46 H new ATOM 1370 N SER A 91 -17.245 6.992 1.317 1.00 0.44 N ATOM 1371 CA SER A 91 -16.123 7.760 0.830 1.00 0.50 C ATOM 1372 C SER A 91 -14.961 7.750 1.822 1.00 0.48 C ATOM 1373 O SER A 91 -15.033 7.137 2.892 1.00 0.77 O ATOM 1374 CB SER A 91 -16.589 9.191 0.570 1.00 0.69 C ATOM 1375 OG SER A 91 -17.347 9.671 1.669 1.00 1.17 O ATOM 0 H SER A 91 -18.022 7.561 1.653 1.00 0.44 H new ATOM 0 HA SER A 91 -15.759 7.309 -0.093 1.00 0.50 H new ATOM 0 HB2 SER A 91 -15.727 9.837 0.405 1.00 0.69 H new ATOM 0 HB3 SER A 91 -17.191 9.225 -0.338 1.00 0.69 H new ATOM 0 HG SER A 91 -17.638 10.590 1.490 1.00 1.17 H new ATOM 1381 N TRP A 92 -13.886 8.411 1.432 1.00 0.50 N ATOM 1382 CA TRP A 92 -12.712 8.585 2.266 1.00 0.45 C ATOM 1383 C TRP A 92 -11.776 9.575 1.591 1.00 0.44 C ATOM 1384 O TRP A 92 -11.428 10.599 2.173 1.00 0.49 O ATOM 1385 CB TRP A 92 -12.004 7.254 2.508 1.00 0.47 C ATOM 1386 CG TRP A 92 -10.874 7.392 3.470 1.00 0.44 C ATOM 1387 CD1 TRP A 92 -10.936 7.386 4.835 1.00 0.47 C ATOM 1388 CD2 TRP A 92 -9.514 7.596 3.128 1.00 0.43 C ATOM 1389 NE1 TRP A 92 -9.678 7.571 5.356 1.00 0.49 N ATOM 1390 CE2 TRP A 92 -8.788 7.704 4.322 1.00 0.47 C ATOM 1391 CE3 TRP A 92 -8.844 7.697 1.918 1.00 0.45 C ATOM 1392 CZ2 TRP A 92 -7.412 7.910 4.332 1.00 0.51 C ATOM 1393 CZ3 TRP A 92 -7.490 7.899 1.931 1.00 0.48 C ATOM 1394 CH2 TRP A 92 -6.782 8.008 3.128 1.00 0.51 C ATOM 0 H TRP A 92 -13.803 8.848 0.514 1.00 0.50 H new ATOM 0 HA TRP A 92 -13.017 8.970 3.239 1.00 0.45 H new ATOM 0 HB2 TRP A 92 -12.720 6.526 2.891 1.00 0.47 H new ATOM 0 HB3 TRP A 92 -11.629 6.865 1.561 1.00 0.47 H new ATOM 0 HD1 TRP A 92 -11.837 7.256 5.416 1.00 0.47 H new ATOM 0 HE1 TRP A 92 -9.445 7.604 6.348 1.00 0.49 H new ATOM 0 HE3 TRP A 92 -9.380 7.618 0.984 1.00 0.45 H new ATOM 0 HZ2 TRP A 92 -6.864 7.989 5.259 1.00 0.51 H new ATOM 0 HZ3 TRP A 92 -6.958 7.976 0.994 1.00 0.48 H new ATOM 0 HH2 TRP A 92 -5.715 8.173 3.100 1.00 0.51 H new ATOM 1405 N GLY A 93 -11.426 9.244 0.346 1.00 0.47 N ATOM 1406 CA GLY A 93 -10.579 10.080 -0.516 1.00 0.49 C ATOM 1407 C GLY A 93 -9.566 10.964 0.202 1.00 0.57 C ATOM 1408 O GLY A 93 -9.892 12.071 0.639 1.00 1.25 O ATOM 0 H GLY A 93 -11.725 8.377 -0.100 1.00 0.47 H new ATOM 0 HA2 GLY A 93 -10.040 9.429 -1.205 1.00 0.49 H new ATOM 0 HA3 GLY A 93 -11.225 10.717 -1.119 1.00 0.49 H new ATOM 1412 N GLY A 94 -8.328 10.499 0.283 1.00 0.53 N ATOM 1413 CA GLY A 94 -7.287 11.285 0.903 1.00 0.50 C ATOM 1414 C GLY A 94 -5.922 10.638 0.807 1.00 0.50 C ATOM 1415 O GLY A 94 -5.664 9.850 -0.100 1.00 0.72 O ATOM 0 H GLY A 94 -8.028 9.591 -0.070 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -7.251 12.267 0.432 1.00 0.50 H new ATOM 0 HA3 GLY A 94 -7.535 11.444 1.952 1.00 0.50 H new ATOM 1419 N THR A 95 -5.052 10.953 1.751 1.00 0.46 N ATOM 1420 CA THR A 95 -3.673 10.505 1.695 1.00 0.45 C ATOM 1421 C THR A 95 -3.399 9.311 2.608 1.00 0.40 C ATOM 1422 O THR A 95 -3.756 9.312 3.787 1.00 0.45 O ATOM 1423 CB THR A 95 -2.722 11.658 2.063 1.00 0.53 C ATOM 1424 OG1 THR A 95 -3.282 12.419 3.141 1.00 0.60 O ATOM 1425 CG2 THR A 95 -2.478 12.566 0.867 1.00 0.60 C ATOM 0 H THR A 95 -5.278 11.520 2.568 1.00 0.46 H new ATOM 0 HA THR A 95 -3.494 10.181 0.670 1.00 0.45 H new ATOM 0 HB THR A 95 -1.767 11.232 2.371 1.00 0.53 H new ATOM 0 HG1 THR A 95 -2.674 13.151 3.375 1.00 0.60 H new ATOM 0 HG21 THR A 95 -1.803 13.372 1.154 1.00 0.60 H new ATOM 0 HG22 THR A 95 -2.031 11.989 0.057 1.00 0.60 H new ATOM 0 HG23 THR A 95 -3.425 12.988 0.531 1.00 0.60 H new ATOM 1433 N ILE A 96 -2.782 8.288 2.037 1.00 0.38 N ATOM 1434 CA ILE A 96 -2.261 7.161 2.800 1.00 0.39 C ATOM 1435 C ILE A 96 -0.757 7.083 2.580 1.00 0.40 C ATOM 1436 O ILE A 96 -0.293 7.128 1.444 1.00 0.54 O ATOM 1437 CB ILE A 96 -2.902 5.797 2.423 1.00 0.49 C ATOM 1438 CG1 ILE A 96 -3.178 5.699 0.924 1.00 0.85 C ATOM 1439 CG2 ILE A 96 -4.180 5.559 3.209 1.00 0.93 C ATOM 1440 CD1 ILE A 96 -4.464 6.371 0.494 1.00 1.63 C ATOM 0 H ILE A 96 -2.628 8.214 1.031 1.00 0.38 H new ATOM 0 HA ILE A 96 -2.511 7.340 3.846 1.00 0.39 H new ATOM 0 HB ILE A 96 -2.182 5.021 2.684 1.00 0.49 H new ATOM 0 HG12 ILE A 96 -2.346 6.147 0.381 1.00 0.85 H new ATOM 0 HG13 ILE A 96 -3.216 4.648 0.639 1.00 0.85 H new ATOM 0 HG21 ILE A 96 -4.608 4.597 2.926 1.00 0.93 H new ATOM 0 HG22 ILE A 96 -3.956 5.556 4.276 1.00 0.93 H new ATOM 0 HG23 ILE A 96 -4.895 6.353 2.991 1.00 0.93 H new ATOM 0 HD11 ILE A 96 -4.591 6.259 -0.583 1.00 1.63 H new ATOM 0 HD12 ILE A 96 -5.306 5.908 1.008 1.00 1.63 H new ATOM 0 HD13 ILE A 96 -4.423 7.431 0.746 1.00 1.63 H new ATOM 1452 N GLY A 97 0.003 6.976 3.650 1.00 0.39 N ATOM 1453 CA GLY A 97 1.440 7.081 3.533 1.00 0.45 C ATOM 1454 C GLY A 97 2.132 5.749 3.679 1.00 0.39 C ATOM 1455 O GLY A 97 1.606 4.843 4.323 1.00 0.37 O ATOM 0 H GLY A 97 -0.344 6.819 4.596 1.00 0.39 H new ATOM 0 HA2 GLY A 97 1.691 7.513 2.564 1.00 0.45 H new ATOM 0 HA3 GLY A 97 1.814 7.766 4.294 1.00 0.45 H new ATOM 1459 N ILE A 98 3.305 5.622 3.073 1.00 0.38 N ATOM 1460 CA ILE A 98 4.105 4.422 3.235 1.00 0.36 C ATOM 1461 C ILE A 98 5.002 4.545 4.461 1.00 0.38 C ATOM 1462 O ILE A 98 5.918 5.373 4.499 1.00 0.42 O ATOM 1463 CB ILE A 98 4.975 4.116 1.984 1.00 0.41 C ATOM 1464 CG1 ILE A 98 4.124 3.550 0.842 1.00 0.50 C ATOM 1465 CG2 ILE A 98 6.095 3.140 2.319 1.00 0.45 C ATOM 1466 CD1 ILE A 98 3.399 4.598 0.033 1.00 0.83 C ATOM 0 H ILE A 98 3.719 6.332 2.469 1.00 0.38 H new ATOM 0 HA ILE A 98 3.409 3.593 3.366 1.00 0.36 H new ATOM 0 HB ILE A 98 5.415 5.059 1.660 1.00 0.41 H new ATOM 0 HG12 ILE A 98 4.766 2.973 0.176 1.00 0.50 H new ATOM 0 HG13 ILE A 98 3.392 2.857 1.258 1.00 0.50 H new ATOM 0 HG21 ILE A 98 6.687 2.945 1.425 1.00 0.45 H new ATOM 0 HG22 ILE A 98 6.734 3.570 3.090 1.00 0.45 H new ATOM 0 HG23 ILE A 98 5.667 2.206 2.682 1.00 0.45 H new ATOM 0 HD11 ILE A 98 2.820 4.114 -0.754 1.00 0.83 H new ATOM 0 HD12 ILE A 98 2.728 5.160 0.683 1.00 0.83 H new ATOM 0 HD13 ILE A 98 4.124 5.278 -0.415 1.00 0.83 H new ATOM 1478 N TYR A 99 4.702 3.736 5.460 1.00 0.42 N ATOM 1479 CA TYR A 99 5.545 3.577 6.627 1.00 0.53 C ATOM 1480 C TYR A 99 6.323 2.277 6.470 1.00 0.44 C ATOM 1481 O TYR A 99 5.862 1.364 5.786 1.00 0.50 O ATOM 1482 CB TYR A 99 4.697 3.477 7.906 1.00 0.73 C ATOM 1483 CG TYR A 99 3.662 4.570 8.124 1.00 0.55 C ATOM 1484 CD1 TYR A 99 2.520 4.654 7.337 1.00 0.74 C ATOM 1485 CD2 TYR A 99 3.806 5.482 9.155 1.00 0.88 C ATOM 1486 CE1 TYR A 99 1.564 5.625 7.568 1.00 0.82 C ATOM 1487 CE2 TYR A 99 2.850 6.446 9.401 1.00 1.11 C ATOM 1488 CZ TYR A 99 1.731 6.515 8.605 1.00 0.92 C ATOM 1489 OH TYR A 99 0.772 7.469 8.855 1.00 1.28 O ATOM 0 H TYR A 99 3.857 3.165 5.483 1.00 0.42 H new ATOM 0 HA TYR A 99 6.208 4.438 6.709 1.00 0.53 H new ATOM 0 HB2 TYR A 99 4.182 2.516 7.899 1.00 0.73 H new ATOM 0 HB3 TYR A 99 5.371 3.471 8.762 1.00 0.73 H new ATOM 0 HD1 TYR A 99 2.377 3.949 6.532 1.00 0.74 H new ATOM 0 HD2 TYR A 99 4.685 5.438 9.780 1.00 0.88 H new ATOM 0 HE1 TYR A 99 0.689 5.685 6.937 1.00 0.82 H new ATOM 0 HE2 TYR A 99 2.980 7.143 10.215 1.00 1.11 H new ATOM 0 HH TYR A 99 1.045 8.014 9.622 1.00 1.28 H new ATOM 1499 N VAL A 100 7.485 2.183 7.086 1.00 0.44 N ATOM 1500 CA VAL A 100 8.209 0.919 7.118 1.00 0.40 C ATOM 1501 C VAL A 100 7.738 0.097 8.316 1.00 0.42 C ATOM 1502 O VAL A 100 7.760 0.576 9.451 1.00 0.56 O ATOM 1503 CB VAL A 100 9.741 1.122 7.191 1.00 0.50 C ATOM 1504 CG1 VAL A 100 10.114 2.049 8.332 1.00 1.14 C ATOM 1505 CG2 VAL A 100 10.445 -0.209 7.353 1.00 0.78 C ATOM 0 H VAL A 100 7.947 2.955 7.567 1.00 0.44 H new ATOM 0 HA VAL A 100 7.997 0.390 6.189 1.00 0.40 H new ATOM 0 HB VAL A 100 10.063 1.581 6.256 1.00 0.50 H new ATOM 0 HG11 VAL A 100 11.196 2.174 8.360 1.00 1.14 H new ATOM 0 HG12 VAL A 100 9.640 3.019 8.182 1.00 1.14 H new ATOM 0 HG13 VAL A 100 9.774 1.621 9.275 1.00 1.14 H new ATOM 0 HG21 VAL A 100 11.522 -0.047 7.403 1.00 0.78 H new ATOM 0 HG22 VAL A 100 10.108 -0.690 8.271 1.00 0.78 H new ATOM 0 HG23 VAL A 100 10.213 -0.849 6.502 1.00 0.78 H new ATOM 1515 N ASP A 101 7.291 -1.123 8.080 1.00 0.40 N ATOM 1516 CA ASP A 101 6.841 -1.956 9.181 1.00 0.50 C ATOM 1517 C ASP A 101 8.036 -2.638 9.824 1.00 0.59 C ATOM 1518 O ASP A 101 8.503 -3.675 9.352 1.00 0.77 O ATOM 1519 CB ASP A 101 5.815 -2.994 8.729 1.00 0.67 C ATOM 1520 CG ASP A 101 5.151 -3.659 9.916 1.00 0.83 C ATOM 1521 OD1 ASP A 101 4.774 -2.938 10.866 1.00 0.93 O ATOM 1522 OD2 ASP A 101 4.992 -4.897 9.908 1.00 1.02 O ATOM 0 H ASP A 101 7.230 -1.553 7.157 1.00 0.40 H new ATOM 0 HA ASP A 101 6.349 -1.314 9.911 1.00 0.50 H new ATOM 0 HB2 ASP A 101 5.059 -2.515 8.107 1.00 0.67 H new ATOM 0 HB3 ASP A 101 6.304 -3.748 8.113 1.00 0.67 H new ATOM 1527 N GLY A 102 8.547 -2.032 10.885 1.00 0.61 N ATOM 1528 CA GLY A 102 9.760 -2.521 11.496 1.00 0.81 C ATOM 1529 C GLY A 102 10.983 -2.137 10.689 1.00 0.85 C ATOM 1530 O GLY A 102 11.508 -2.959 9.938 1.00 1.53 O ATOM 0 H GLY A 102 8.141 -1.210 11.332 1.00 0.61 H new ATOM 0 HA2 GLY A 102 9.848 -2.119 12.505 1.00 0.81 H new ATOM 0 HA3 GLY A 102 9.710 -3.606 11.589 1.00 0.81 H new ATOM 1534 N GLN A 103 11.410 -0.878 10.832 1.00 0.64 N ATOM 1535 CA GLN A 103 12.577 -0.343 10.131 1.00 0.60 C ATOM 1536 C GLN A 103 13.714 -1.366 10.017 1.00 0.61 C ATOM 1537 O GLN A 103 14.226 -1.879 11.013 1.00 0.65 O ATOM 1538 CB GLN A 103 13.052 0.927 10.846 1.00 0.71 C ATOM 1539 CG GLN A 103 13.460 0.703 12.294 1.00 1.01 C ATOM 1540 CD GLN A 103 13.325 1.948 13.147 1.00 1.35 C ATOM 1541 OE1 GLN A 103 14.244 2.758 13.237 1.00 1.78 O ATOM 1542 NE2 GLN A 103 12.181 2.090 13.800 1.00 2.11 N ATOM 0 H GLN A 103 10.952 -0.200 11.441 1.00 0.64 H new ATOM 0 HA GLN A 103 12.280 -0.104 9.110 1.00 0.60 H new ATOM 0 HB2 GLN A 103 13.899 1.344 10.301 1.00 0.71 H new ATOM 0 HB3 GLN A 103 12.255 1.670 10.814 1.00 0.71 H new ATOM 0 HG2 GLN A 103 12.846 -0.091 12.720 1.00 1.01 H new ATOM 0 HG3 GLN A 103 14.494 0.358 12.325 1.00 1.01 H new ATOM 0 HE21 GLN A 103 11.444 1.392 13.696 1.00 2.11 H new ATOM 0 HE22 GLN A 103 12.037 2.897 14.407 1.00 2.11 H new ATOM 1551 N GLN A 104 14.088 -1.664 8.778 1.00 0.73 N ATOM 1552 CA GLN A 104 15.137 -2.638 8.493 1.00 0.94 C ATOM 1553 C GLN A 104 16.493 -1.950 8.374 1.00 1.02 C ATOM 1554 O GLN A 104 17.425 -2.490 7.780 1.00 1.28 O ATOM 1555 CB GLN A 104 14.788 -3.419 7.214 1.00 1.12 C ATOM 1556 CG GLN A 104 13.846 -4.590 7.455 1.00 1.96 C ATOM 1557 CD GLN A 104 14.495 -5.732 8.213 1.00 1.98 C ATOM 1558 OE1 GLN A 104 15.403 -5.530 9.018 1.00 2.02 O ATOM 1559 NE2 GLN A 104 14.040 -6.944 7.953 1.00 2.62 N ATOM 0 H GLN A 104 13.676 -1.241 7.947 1.00 0.73 H new ATOM 0 HA GLN A 104 15.202 -3.345 9.320 1.00 0.94 H new ATOM 0 HB2 GLN A 104 14.332 -2.738 6.495 1.00 1.12 H new ATOM 0 HB3 GLN A 104 15.708 -3.790 6.762 1.00 1.12 H new ATOM 0 HG2 GLN A 104 12.977 -4.240 8.012 1.00 1.96 H new ATOM 0 HG3 GLN A 104 13.483 -4.959 6.496 1.00 1.96 H new ATOM 0 HE21 GLN A 104 13.285 -7.072 7.279 1.00 2.62 H new ATOM 0 HE22 GLN A 104 14.443 -7.753 8.426 1.00 2.62 H new ATOM 1568 N THR A 105 16.575 -0.739 8.933 1.00 1.14 N ATOM 1569 CA THR A 105 17.833 0.004 9.053 1.00 1.42 C ATOM 1570 C THR A 105 18.409 0.403 7.682 1.00 1.11 C ATOM 1571 O THR A 105 19.492 0.985 7.594 1.00 1.04 O ATOM 1572 CB THR A 105 18.861 -0.825 9.852 1.00 1.90 C ATOM 1573 OG1 THR A 105 18.215 -1.409 10.996 1.00 2.27 O ATOM 1574 CG2 THR A 105 20.016 0.040 10.326 1.00 2.43 C ATOM 0 H THR A 105 15.769 -0.245 9.316 1.00 1.14 H new ATOM 0 HA THR A 105 17.619 0.929 9.589 1.00 1.42 H new ATOM 0 HB THR A 105 19.255 -1.602 9.197 1.00 1.90 H new ATOM 0 HG1 THR A 105 18.865 -1.938 11.504 1.00 2.27 H new ATOM 0 HG21 THR A 105 20.723 -0.572 10.886 1.00 2.43 H new ATOM 0 HG22 THR A 105 20.519 0.480 9.465 1.00 2.43 H new ATOM 0 HG23 THR A 105 19.636 0.834 10.969 1.00 2.43 H new ATOM 1582 N ASN A 106 17.650 0.125 6.624 1.00 1.04 N ATOM 1583 CA ASN A 106 18.069 0.398 5.253 1.00 0.88 C ATOM 1584 C ASN A 106 19.292 -0.425 4.877 1.00 0.81 C ATOM 1585 O ASN A 106 20.432 0.016 5.018 1.00 0.79 O ATOM 1586 CB ASN A 106 18.336 1.892 5.030 1.00 0.97 C ATOM 1587 CG ASN A 106 18.667 2.218 3.584 1.00 0.86 C ATOM 1588 OD1 ASN A 106 17.771 2.380 2.755 1.00 1.56 O ATOM 1589 ND2 ASN A 106 19.946 2.350 3.278 1.00 0.80 N ATOM 0 H ASN A 106 16.724 -0.297 6.695 1.00 1.04 H new ATOM 0 HA ASN A 106 17.246 0.105 4.601 1.00 0.88 H new ATOM 0 HB2 ASN A 106 17.459 2.463 5.336 1.00 0.97 H new ATOM 0 HB3 ASN A 106 19.161 2.209 5.668 1.00 0.97 H new ATOM 0 HD21 ASN A 106 20.220 2.594 2.326 1.00 0.80 H new ATOM 0 HD22 ASN A 106 20.659 2.208 3.993 1.00 0.80 H new ATOM 1596 N THR A 107 19.041 -1.638 4.422 1.00 0.86 N ATOM 1597 CA THR A 107 20.096 -2.488 3.906 1.00 0.89 C ATOM 1598 C THR A 107 20.378 -2.063 2.474 1.00 0.80 C ATOM 1599 O THR A 107 19.432 -1.729 1.763 1.00 0.86 O ATOM 1600 CB THR A 107 19.700 -3.989 3.974 1.00 1.13 C ATOM 1601 OG1 THR A 107 20.738 -4.813 3.427 1.00 1.68 O ATOM 1602 CG2 THR A 107 18.396 -4.257 3.234 1.00 1.53 C ATOM 0 H THR A 107 18.112 -2.058 4.400 1.00 0.86 H new ATOM 0 HA THR A 107 20.992 -2.375 4.516 1.00 0.89 H new ATOM 0 HB THR A 107 19.558 -4.238 5.026 1.00 1.13 H new ATOM 0 HG1 THR A 107 20.471 -5.754 3.480 1.00 1.68 H new ATOM 0 HG21 THR A 107 18.150 -5.317 3.302 1.00 1.53 H new ATOM 0 HG22 THR A 107 17.595 -3.669 3.683 1.00 1.53 H new ATOM 0 HG23 THR A 107 18.508 -3.977 2.186 1.00 1.53 H new ATOM 1610 N PRO A 108 21.673 -2.043 2.060 1.00 0.82 N ATOM 1611 CA PRO A 108 22.130 -1.537 0.760 1.00 0.84 C ATOM 1612 C PRO A 108 21.077 -1.620 -0.342 1.00 0.76 C ATOM 1613 O PRO A 108 20.917 -2.652 -1.000 1.00 0.91 O ATOM 1614 CB PRO A 108 23.312 -2.451 0.460 1.00 1.07 C ATOM 1615 CG PRO A 108 23.898 -2.770 1.800 1.00 1.26 C ATOM 1616 CD PRO A 108 22.818 -2.540 2.840 1.00 0.99 C ATOM 0 HA PRO A 108 22.370 -0.474 0.795 1.00 0.84 H new ATOM 0 HB2 PRO A 108 22.991 -3.355 -0.057 1.00 1.07 H new ATOM 0 HB3 PRO A 108 24.041 -1.957 -0.183 1.00 1.07 H new ATOM 0 HG2 PRO A 108 24.245 -3.803 1.830 1.00 1.26 H new ATOM 0 HG3 PRO A 108 24.763 -2.138 2.000 1.00 1.26 H new ATOM 0 HD2 PRO A 108 22.571 -3.460 3.369 1.00 0.99 H new ATOM 0 HD3 PRO A 108 23.134 -1.816 3.591 1.00 0.99 H new ATOM 1624 N PRO A 109 20.309 -0.536 -0.512 1.00 0.61 N ATOM 1625 CA PRO A 109 19.213 -0.480 -1.461 1.00 0.56 C ATOM 1626 C PRO A 109 19.647 0.029 -2.831 1.00 0.57 C ATOM 1627 O PRO A 109 20.831 0.009 -3.174 1.00 0.76 O ATOM 1628 CB PRO A 109 18.273 0.507 -0.772 1.00 0.59 C ATOM 1629 CG PRO A 109 19.187 1.495 -0.138 1.00 0.64 C ATOM 1630 CD PRO A 109 20.420 0.722 0.258 1.00 0.63 C ATOM 0 HA PRO A 109 18.774 -1.454 -1.675 1.00 0.56 H new ATOM 0 HB2 PRO A 109 17.603 0.985 -1.487 1.00 0.59 H new ATOM 0 HB3 PRO A 109 17.647 0.010 -0.031 1.00 0.59 H new ATOM 0 HG2 PRO A 109 19.436 2.298 -0.831 1.00 0.64 H new ATOM 0 HG3 PRO A 109 18.720 1.958 0.731 1.00 0.64 H new ATOM 0 HD2 PRO A 109 21.331 1.266 0.007 1.00 0.63 H new ATOM 0 HD3 PRO A 109 20.447 0.533 1.331 1.00 0.63 H new ATOM 1638 N GLY A 110 18.675 0.471 -3.606 1.00 0.49 N ATOM 1639 CA GLY A 110 18.938 0.980 -4.929 1.00 0.58 C ATOM 1640 C GLY A 110 17.656 1.420 -5.585 1.00 0.54 C ATOM 1641 O GLY A 110 17.352 2.611 -5.638 1.00 0.76 O ATOM 0 H GLY A 110 17.692 0.486 -3.336 1.00 0.49 H new ATOM 0 HA2 GLY A 110 19.632 1.819 -4.872 1.00 0.58 H new ATOM 0 HA3 GLY A 110 19.418 0.210 -5.533 1.00 0.58 H new ATOM 1645 N ASN A 111 16.884 0.455 -6.045 1.00 0.45 N ATOM 1646 CA ASN A 111 15.587 0.730 -6.633 1.00 0.44 C ATOM 1647 C ASN A 111 14.593 -0.333 -6.199 1.00 0.42 C ATOM 1648 O ASN A 111 14.814 -1.527 -6.406 1.00 0.58 O ATOM 1649 CB ASN A 111 15.678 0.761 -8.156 1.00 0.56 C ATOM 1650 CG ASN A 111 14.388 1.230 -8.800 1.00 1.10 C ATOM 1651 OD1 ASN A 111 14.123 2.432 -8.884 1.00 2.04 O ATOM 1652 ND2 ASN A 111 13.595 0.293 -9.286 1.00 1.41 N ATOM 0 H ASN A 111 17.135 -0.533 -6.023 1.00 0.45 H new ATOM 0 HA ASN A 111 15.250 1.708 -6.288 1.00 0.44 H new ATOM 0 HB2 ASN A 111 16.492 1.421 -8.456 1.00 0.56 H new ATOM 0 HB3 ASN A 111 15.924 -0.235 -8.523 1.00 0.56 H new ATOM 0 HD21 ASN A 111 12.726 0.552 -9.752 1.00 1.41 H new ATOM 0 HD22 ASN A 111 13.852 -0.690 -9.195 1.00 1.41 H new ATOM 1659 N TYR A 112 13.515 0.097 -5.572 1.00 0.35 N ATOM 1660 CA TYR A 112 12.485 -0.816 -5.131 1.00 0.37 C ATOM 1661 C TYR A 112 11.179 -0.508 -5.832 1.00 0.42 C ATOM 1662 O TYR A 112 10.672 0.615 -5.783 1.00 0.55 O ATOM 1663 CB TYR A 112 12.331 -0.766 -3.609 1.00 0.40 C ATOM 1664 CG TYR A 112 13.539 -1.324 -2.893 1.00 0.40 C ATOM 1665 CD1 TYR A 112 13.808 -2.686 -2.874 1.00 0.68 C ATOM 1666 CD2 TYR A 112 14.394 -0.481 -2.201 1.00 0.64 C ATOM 1667 CE1 TYR A 112 14.895 -3.184 -2.188 1.00 0.75 C ATOM 1668 CE2 TYR A 112 15.486 -0.972 -1.518 1.00 0.67 C ATOM 1669 CZ TYR A 112 15.788 -2.371 -1.643 1.00 0.59 C ATOM 1670 OH TYR A 112 16.817 -2.831 -0.838 1.00 0.69 O ATOM 0 H TYR A 112 13.332 1.077 -5.357 1.00 0.35 H new ATOM 0 HA TYR A 112 12.778 -1.832 -5.396 1.00 0.37 H new ATOM 0 HB2 TYR A 112 12.170 0.266 -3.296 1.00 0.40 H new ATOM 0 HB3 TYR A 112 11.445 -1.330 -3.317 1.00 0.40 H new ATOM 0 HD1 TYR A 112 13.156 -3.365 -3.404 1.00 0.68 H new ATOM 0 HD2 TYR A 112 14.201 0.582 -2.197 1.00 0.64 H new ATOM 0 HE1 TYR A 112 15.021 -4.252 -2.093 1.00 0.75 H new ATOM 0 HE2 TYR A 112 16.097 -0.324 -0.907 1.00 0.67 H new ATOM 0 HH TYR A 112 16.853 -2.298 -0.016 1.00 0.69 H new ATOM 1680 N THR A 113 10.645 -1.520 -6.476 1.00 0.38 N ATOM 1681 CA THR A 113 9.484 -1.382 -7.317 1.00 0.46 C ATOM 1682 C THR A 113 8.342 -2.188 -6.738 1.00 0.51 C ATOM 1683 O THR A 113 8.268 -3.395 -6.927 1.00 0.83 O ATOM 1684 CB THR A 113 9.789 -1.889 -8.738 1.00 0.62 C ATOM 1685 OG1 THR A 113 10.936 -1.207 -9.264 1.00 0.66 O ATOM 1686 CG2 THR A 113 8.599 -1.684 -9.664 1.00 0.74 C ATOM 0 H THR A 113 11.010 -2.471 -6.429 1.00 0.38 H new ATOM 0 HA THR A 113 9.210 -0.328 -7.365 1.00 0.46 H new ATOM 0 HB THR A 113 9.994 -2.958 -8.679 1.00 0.62 H new ATOM 0 HG1 THR A 113 11.440 -1.814 -9.845 1.00 0.66 H new ATOM 0 HG21 THR A 113 8.845 -2.052 -10.660 1.00 0.74 H new ATOM 0 HG22 THR A 113 7.739 -2.231 -9.278 1.00 0.74 H new ATOM 0 HG23 THR A 113 8.359 -0.622 -9.719 1.00 0.74 H new ATOM 1694 N LEU A 114 7.474 -1.522 -6.013 1.00 0.34 N ATOM 1695 CA LEU A 114 6.338 -2.183 -5.405 1.00 0.38 C ATOM 1696 C LEU A 114 5.073 -1.868 -6.183 1.00 0.40 C ATOM 1697 O LEU A 114 4.502 -0.778 -6.070 1.00 0.47 O ATOM 1698 CB LEU A 114 6.189 -1.802 -3.924 1.00 0.43 C ATOM 1699 CG LEU A 114 6.708 -0.414 -3.539 1.00 0.41 C ATOM 1700 CD1 LEU A 114 5.975 0.103 -2.313 1.00 0.51 C ATOM 1701 CD2 LEU A 114 8.205 -0.454 -3.269 1.00 0.41 C ATOM 0 H LEU A 114 7.531 -0.520 -5.828 1.00 0.34 H new ATOM 0 HA LEU A 114 6.510 -3.259 -5.442 1.00 0.38 H new ATOM 0 HB2 LEU A 114 5.134 -1.862 -3.657 1.00 0.43 H new ATOM 0 HB3 LEU A 114 6.713 -2.545 -3.322 1.00 0.43 H new ATOM 0 HG LEU A 114 6.523 0.261 -4.374 1.00 0.41 H new ATOM 0 HD11 LEU A 114 6.355 1.091 -2.051 1.00 0.51 H new ATOM 0 HD12 LEU A 114 4.908 0.170 -2.528 1.00 0.51 H new ATOM 0 HD13 LEU A 114 6.135 -0.580 -1.479 1.00 0.51 H new ATOM 0 HD21 LEU A 114 8.552 0.543 -2.997 1.00 0.41 H new ATOM 0 HD22 LEU A 114 8.409 -1.145 -2.451 1.00 0.41 H new ATOM 0 HD23 LEU A 114 8.728 -0.789 -4.165 1.00 0.41 H new ATOM 1713 N THR A 115 4.672 -2.819 -7.006 1.00 0.42 N ATOM 1714 CA THR A 115 3.471 -2.692 -7.805 1.00 0.45 C ATOM 1715 C THR A 115 2.237 -2.836 -6.919 1.00 0.44 C ATOM 1716 O THR A 115 2.024 -3.875 -6.294 1.00 0.47 O ATOM 1717 CB THR A 115 3.447 -3.760 -8.912 1.00 0.49 C ATOM 1718 OG1 THR A 115 4.737 -3.832 -9.539 1.00 0.56 O ATOM 1719 CG2 THR A 115 2.385 -3.440 -9.958 1.00 0.59 C ATOM 0 H THR A 115 5.170 -3.699 -7.138 1.00 0.42 H new ATOM 0 HA THR A 115 3.465 -1.706 -8.270 1.00 0.45 H new ATOM 0 HB THR A 115 3.203 -4.721 -8.459 1.00 0.49 H new ATOM 0 HG1 THR A 115 4.721 -4.514 -10.243 1.00 0.56 H new ATOM 0 HG21 THR A 115 2.390 -4.211 -10.729 1.00 0.59 H new ATOM 0 HG22 THR A 115 1.405 -3.408 -9.483 1.00 0.59 H new ATOM 0 HG23 THR A 115 2.601 -2.472 -10.411 1.00 0.59 H new ATOM 1727 N LEU A 116 1.434 -1.789 -6.854 1.00 0.45 N ATOM 1728 CA LEU A 116 0.269 -1.779 -5.988 1.00 0.47 C ATOM 1729 C LEU A 116 -1.016 -1.796 -6.807 1.00 0.48 C ATOM 1730 O LEU A 116 -1.142 -1.091 -7.808 1.00 0.63 O ATOM 1731 CB LEU A 116 0.296 -0.554 -5.065 1.00 0.54 C ATOM 1732 CG LEU A 116 1.465 -0.501 -4.078 1.00 0.61 C ATOM 1733 CD1 LEU A 116 1.367 0.742 -3.210 1.00 1.27 C ATOM 1734 CD2 LEU A 116 1.495 -1.750 -3.213 1.00 1.05 C ATOM 0 H LEU A 116 1.568 -0.933 -7.392 1.00 0.45 H new ATOM 0 HA LEU A 116 0.296 -2.679 -5.374 1.00 0.47 H new ATOM 0 HB2 LEU A 116 0.323 0.344 -5.682 1.00 0.54 H new ATOM 0 HB3 LEU A 116 -0.636 -0.525 -4.500 1.00 0.54 H new ATOM 0 HG LEU A 116 2.393 -0.457 -4.647 1.00 0.61 H new ATOM 0 HD11 LEU A 116 2.205 0.766 -2.513 1.00 1.27 H new ATOM 0 HD12 LEU A 116 1.395 1.630 -3.842 1.00 1.27 H new ATOM 0 HD13 LEU A 116 0.431 0.723 -2.652 1.00 1.27 H new ATOM 0 HD21 LEU A 116 2.333 -1.692 -2.519 1.00 1.05 H new ATOM 0 HD22 LEU A 116 0.564 -1.826 -2.652 1.00 1.05 H new ATOM 0 HD23 LEU A 116 1.609 -2.629 -3.847 1.00 1.05 H new ATOM 1746 N THR A 117 -1.959 -2.613 -6.381 1.00 0.44 N ATOM 1747 CA THR A 117 -3.248 -2.717 -7.039 1.00 0.48 C ATOM 1748 C THR A 117 -4.356 -2.575 -5.999 1.00 0.58 C ATOM 1749 O THR A 117 -4.590 -3.479 -5.204 1.00 0.70 O ATOM 1750 CB THR A 117 -3.396 -4.069 -7.769 1.00 0.53 C ATOM 1751 OG1 THR A 117 -2.301 -4.260 -8.678 1.00 0.56 O ATOM 1752 CG2 THR A 117 -4.708 -4.131 -8.537 1.00 0.57 C ATOM 0 H THR A 117 -1.854 -3.223 -5.570 1.00 0.44 H new ATOM 0 HA THR A 117 -3.322 -1.921 -7.780 1.00 0.48 H new ATOM 0 HB THR A 117 -3.392 -4.860 -7.020 1.00 0.53 H new ATOM 0 HG1 THR A 117 -2.402 -5.121 -9.135 1.00 0.56 H new ATOM 0 HG21 THR A 117 -4.788 -5.093 -9.043 1.00 0.57 H new ATOM 0 HG22 THR A 117 -5.541 -4.014 -7.844 1.00 0.57 H new ATOM 0 HG23 THR A 117 -4.736 -3.330 -9.275 1.00 0.57 H new ATOM 1760 N GLY A 118 -5.019 -1.434 -5.994 1.00 0.63 N ATOM 1761 CA GLY A 118 -6.019 -1.163 -4.981 1.00 0.79 C ATOM 1762 C GLY A 118 -7.384 -1.648 -5.399 1.00 0.64 C ATOM 1763 O GLY A 118 -7.506 -2.556 -6.222 1.00 0.80 O ATOM 0 H GLY A 118 -4.884 -0.686 -6.674 1.00 0.63 H new ATOM 0 HA2 GLY A 118 -5.731 -1.647 -4.048 1.00 0.79 H new ATOM 0 HA3 GLY A 118 -6.058 -0.091 -4.786 1.00 0.79 H new ATOM 1767 N GLY A 119 -8.412 -1.064 -4.820 1.00 0.52 N ATOM 1768 CA GLY A 119 -9.754 -1.387 -5.220 1.00 0.50 C ATOM 1769 C GLY A 119 -10.712 -1.342 -4.061 1.00 0.44 C ATOM 1770 O GLY A 119 -10.407 -0.772 -3.010 1.00 0.53 O ATOM 0 H GLY A 119 -8.340 -0.369 -4.077 1.00 0.52 H new ATOM 0 HA2 GLY A 119 -10.082 -0.687 -5.989 1.00 0.50 H new ATOM 0 HA3 GLY A 119 -9.770 -2.381 -5.666 1.00 0.50 H new ATOM 1774 N TYR A 120 -11.862 -1.947 -4.240 1.00 0.42 N ATOM 1775 CA TYR A 120 -12.854 -1.976 -3.194 1.00 0.41 C ATOM 1776 C TYR A 120 -12.843 -3.324 -2.496 1.00 0.43 C ATOM 1777 O TYR A 120 -12.583 -4.358 -3.116 1.00 0.60 O ATOM 1778 CB TYR A 120 -14.250 -1.663 -3.746 1.00 0.48 C ATOM 1779 CG TYR A 120 -14.740 -2.616 -4.815 1.00 0.55 C ATOM 1780 CD1 TYR A 120 -14.447 -2.395 -6.155 1.00 0.63 C ATOM 1781 CD2 TYR A 120 -15.504 -3.731 -4.484 1.00 0.61 C ATOM 1782 CE1 TYR A 120 -14.898 -3.257 -7.135 1.00 0.73 C ATOM 1783 CE2 TYR A 120 -15.959 -4.597 -5.460 1.00 0.71 C ATOM 1784 CZ TYR A 120 -15.653 -4.355 -6.783 1.00 0.78 C ATOM 1785 OH TYR A 120 -16.104 -5.216 -7.758 1.00 0.89 O ATOM 0 H TYR A 120 -12.133 -2.425 -5.099 1.00 0.42 H new ATOM 0 HA TYR A 120 -12.604 -1.204 -2.466 1.00 0.41 H new ATOM 0 HB2 TYR A 120 -14.961 -1.669 -2.920 1.00 0.48 H new ATOM 0 HB3 TYR A 120 -14.245 -0.653 -4.155 1.00 0.48 H new ATOM 0 HD1 TYR A 120 -13.857 -1.535 -6.435 1.00 0.63 H new ATOM 0 HD2 TYR A 120 -15.745 -3.922 -3.449 1.00 0.61 H new ATOM 0 HE1 TYR A 120 -14.660 -3.072 -8.172 1.00 0.73 H new ATOM 0 HE2 TYR A 120 -16.551 -5.459 -5.188 1.00 0.71 H new ATOM 0 HH TYR A 120 -16.620 -5.939 -7.343 1.00 0.89 H new ATOM 1795 N TRP A 121 -13.090 -3.297 -1.204 1.00 0.39 N ATOM 1796 CA TRP A 121 -13.208 -4.506 -0.424 1.00 0.40 C ATOM 1797 C TRP A 121 -14.685 -4.798 -0.194 1.00 0.48 C ATOM 1798 O TRP A 121 -15.441 -3.907 0.201 1.00 0.53 O ATOM 1799 CB TRP A 121 -12.476 -4.353 0.911 1.00 0.43 C ATOM 1800 CG TRP A 121 -12.646 -5.532 1.811 1.00 0.42 C ATOM 1801 CD1 TRP A 121 -13.752 -5.828 2.537 1.00 0.51 C ATOM 1802 CD2 TRP A 121 -11.697 -6.567 2.089 1.00 0.42 C ATOM 1803 NE1 TRP A 121 -13.564 -6.981 3.239 1.00 0.56 N ATOM 1804 CE2 TRP A 121 -12.311 -7.454 2.984 1.00 0.49 C ATOM 1805 CE3 TRP A 121 -10.393 -6.837 1.675 1.00 0.45 C ATOM 1806 CZ2 TRP A 121 -11.677 -8.583 3.463 1.00 0.53 C ATOM 1807 CZ3 TRP A 121 -9.763 -7.969 2.164 1.00 0.49 C ATOM 1808 CH2 TRP A 121 -10.408 -8.823 3.049 1.00 0.51 C ATOM 0 H TRP A 121 -13.214 -2.438 -0.668 1.00 0.39 H new ATOM 0 HA TRP A 121 -12.752 -5.337 -0.962 1.00 0.40 H new ATOM 0 HB2 TRP A 121 -11.414 -4.199 0.721 1.00 0.43 H new ATOM 0 HB3 TRP A 121 -12.841 -3.460 1.419 1.00 0.43 H new ATOM 0 HD1 TRP A 121 -14.654 -5.234 2.556 1.00 0.51 H new ATOM 0 HE1 TRP A 121 -14.249 -7.419 3.855 1.00 0.56 H new ATOM 0 HE3 TRP A 121 -9.885 -6.177 0.987 1.00 0.45 H new ATOM 0 HZ2 TRP A 121 -12.176 -9.254 4.146 1.00 0.53 H new ATOM 0 HZ3 TRP A 121 -8.753 -8.191 1.852 1.00 0.49 H new ATOM 0 HH2 TRP A 121 -9.888 -9.696 3.415 1.00 0.51 H new ATOM 1819 N ALA A 122 -15.104 -6.033 -0.433 1.00 0.57 N ATOM 1820 CA ALA A 122 -16.503 -6.379 -0.279 1.00 0.73 C ATOM 1821 C ALA A 122 -16.690 -7.759 0.327 1.00 0.90 C ATOM 1822 O ALA A 122 -17.411 -8.596 -0.207 1.00 1.42 O ATOM 1823 CB ALA A 122 -17.204 -6.295 -1.620 1.00 0.94 C ATOM 0 H ALA A 122 -14.501 -6.800 -0.730 1.00 0.57 H new ATOM 0 HA ALA A 122 -16.946 -5.662 0.412 1.00 0.73 H new ATOM 0 HB1 ALA A 122 -18.255 -6.556 -1.498 1.00 0.94 H new ATOM 0 HB2 ALA A 122 -17.125 -5.280 -2.009 1.00 0.94 H new ATOM 0 HB3 ALA A 122 -16.737 -6.989 -2.319 1.00 0.94 H new ATOM 1829 N LYS A 123 -16.075 -7.949 1.476 1.00 0.84 N ATOM 1830 CA LYS A 123 -16.225 -9.160 2.279 1.00 0.97 C ATOM 1831 C LYS A 123 -15.825 -8.818 3.703 1.00 0.83 C ATOM 1832 O LYS A 123 -16.084 -7.709 4.167 1.00 0.86 O ATOM 1833 CB LYS A 123 -15.349 -10.315 1.754 1.00 1.10 C ATOM 1834 CG LYS A 123 -15.819 -10.928 0.441 1.00 1.83 C ATOM 1835 CD LYS A 123 -17.161 -11.624 0.582 1.00 1.97 C ATOM 1836 CE LYS A 123 -17.760 -11.947 -0.779 1.00 2.89 C ATOM 1837 NZ LYS A 123 -16.882 -12.832 -1.592 1.00 3.47 N ATOM 0 H LYS A 123 -15.446 -7.261 1.890 1.00 0.84 H new ATOM 0 HA LYS A 123 -17.260 -9.498 2.226 1.00 0.97 H new ATOM 0 HB2 LYS A 123 -14.330 -9.949 1.624 1.00 1.10 H new ATOM 0 HB3 LYS A 123 -15.312 -11.098 2.512 1.00 1.10 H new ATOM 0 HG2 LYS A 123 -15.894 -10.148 -0.316 1.00 1.83 H new ATOM 0 HG3 LYS A 123 -15.076 -11.643 0.089 1.00 1.83 H new ATOM 0 HD2 LYS A 123 -17.038 -12.543 1.155 1.00 1.97 H new ATOM 0 HD3 LYS A 123 -17.846 -10.988 1.142 1.00 1.97 H new ATOM 0 HE2 LYS A 123 -18.728 -12.428 -0.641 1.00 2.89 H new ATOM 0 HE3 LYS A 123 -17.939 -11.020 -1.323 1.00 2.89 H new ATOM 0 HZ1 LYS A 123 -17.377 -13.105 -2.465 1.00 3.47 H new ATOM 0 HZ2 LYS A 123 -16.007 -12.325 -1.834 1.00 3.47 H new ATOM 0 HZ3 LYS A 123 -16.648 -13.685 -1.046 1.00 3.47 H new ATOM 1851 N ASP A 124 -15.164 -9.737 4.383 1.00 0.82 N ATOM 1852 CA ASP A 124 -14.638 -9.454 5.712 1.00 0.81 C ATOM 1853 C ASP A 124 -13.406 -10.281 6.021 1.00 0.71 C ATOM 1854 O ASP A 124 -13.484 -11.486 6.220 1.00 0.74 O ATOM 1855 CB ASP A 124 -15.715 -9.651 6.790 1.00 1.07 C ATOM 1856 CG ASP A 124 -16.391 -11.010 6.719 1.00 1.65 C ATOM 1857 OD1 ASP A 124 -17.379 -11.148 5.965 1.00 2.02 O ATOM 1858 OD2 ASP A 124 -15.942 -11.944 7.416 1.00 2.08 O ATOM 0 H ASP A 124 -14.978 -10.680 4.043 1.00 0.82 H new ATOM 0 HA ASP A 124 -14.337 -8.406 5.720 1.00 0.81 H new ATOM 0 HB2 ASP A 124 -15.262 -9.529 7.774 1.00 1.07 H new ATOM 0 HB3 ASP A 124 -16.470 -8.871 6.687 1.00 1.07 H new ATOM 1863 N ASN A 125 -12.264 -9.595 6.011 1.00 0.70 N ATOM 1864 CA ASN A 125 -10.946 -10.159 6.346 1.00 0.73 C ATOM 1865 C ASN A 125 -10.468 -11.255 5.388 1.00 0.73 C ATOM 1866 O ASN A 125 -9.275 -11.339 5.104 1.00 0.91 O ATOM 1867 CB ASN A 125 -10.931 -10.712 7.762 1.00 0.87 C ATOM 1868 CG ASN A 125 -11.207 -9.660 8.817 1.00 1.71 C ATOM 1869 OD1 ASN A 125 -10.784 -8.507 8.696 1.00 2.47 O ATOM 1870 ND2 ASN A 125 -11.941 -10.043 9.848 1.00 2.40 N ATOM 0 H ASN A 125 -12.223 -8.606 5.764 1.00 0.70 H new ATOM 0 HA ASN A 125 -10.256 -9.321 6.251 1.00 0.73 H new ATOM 0 HB2 ASN A 125 -11.676 -11.503 7.844 1.00 0.87 H new ATOM 0 HB3 ASN A 125 -9.960 -11.167 7.957 1.00 0.87 H new ATOM 0 HD21 ASN A 125 -12.178 -9.375 10.582 1.00 2.40 H new ATOM 0 HD22 ASN A 125 -12.271 -11.006 9.909 1.00 2.40 H new ATOM 1877 N LYS A 126 -11.383 -12.095 4.901 1.00 0.66 N ATOM 1878 CA LYS A 126 -11.007 -13.293 4.158 1.00 0.76 C ATOM 1879 C LYS A 126 -10.102 -12.981 2.964 1.00 0.76 C ATOM 1880 O LYS A 126 -9.020 -13.563 2.861 1.00 1.09 O ATOM 1881 CB LYS A 126 -12.249 -14.086 3.707 1.00 0.84 C ATOM 1882 CG LYS A 126 -13.173 -13.338 2.753 1.00 0.82 C ATOM 1883 CD LYS A 126 -14.134 -14.273 2.034 1.00 0.88 C ATOM 1884 CE LYS A 126 -15.361 -14.627 2.869 1.00 1.39 C ATOM 1885 NZ LYS A 126 -15.047 -15.510 4.024 1.00 1.96 N ATOM 0 H LYS A 126 -12.389 -11.965 5.009 1.00 0.66 H new ATOM 0 HA LYS A 126 -10.432 -13.915 4.844 1.00 0.76 H new ATOM 0 HB2 LYS A 126 -11.920 -15.006 3.225 1.00 0.84 H new ATOM 0 HB3 LYS A 126 -12.819 -14.375 4.590 1.00 0.84 H new ATOM 0 HG2 LYS A 126 -13.742 -12.593 3.310 1.00 0.82 H new ATOM 0 HG3 LYS A 126 -12.575 -12.799 2.018 1.00 0.82 H new ATOM 0 HD2 LYS A 126 -14.457 -13.807 1.103 1.00 0.88 H new ATOM 0 HD3 LYS A 126 -13.608 -15.189 1.766 1.00 0.88 H new ATOM 0 HE2 LYS A 126 -15.820 -13.709 3.236 1.00 1.39 H new ATOM 0 HE3 LYS A 126 -16.096 -15.119 2.233 1.00 1.39 H new ATOM 0 HZ1 LYS A 126 -15.844 -16.156 4.194 1.00 1.96 H new ATOM 0 HZ2 LYS A 126 -14.191 -16.063 3.816 1.00 1.96 H new ATOM 0 HZ3 LYS A 126 -14.886 -14.929 4.871 1.00 1.96 H new ATOM 1899 N GLN A 127 -10.529 -12.027 2.116 1.00 0.63 N ATOM 1900 CA GLN A 127 -9.797 -11.627 0.899 1.00 0.64 C ATOM 1901 C GLN A 127 -10.759 -11.076 -0.158 1.00 0.63 C ATOM 1902 O GLN A 127 -10.441 -11.041 -1.346 1.00 0.91 O ATOM 1903 CB GLN A 127 -9.027 -12.800 0.274 1.00 0.79 C ATOM 1904 CG GLN A 127 -7.966 -12.370 -0.728 1.00 1.28 C ATOM 1905 CD GLN A 127 -7.360 -13.533 -1.486 1.00 1.41 C ATOM 1906 OE1 GLN A 127 -7.247 -14.644 -0.966 1.00 2.02 O ATOM 1907 NE2 GLN A 127 -6.978 -13.290 -2.730 1.00 1.62 N ATOM 0 H GLN A 127 -11.396 -11.509 2.256 1.00 0.63 H new ATOM 0 HA GLN A 127 -9.088 -10.859 1.209 1.00 0.64 H new ATOM 0 HB2 GLN A 127 -8.552 -13.376 1.068 1.00 0.79 H new ATOM 0 HB3 GLN A 127 -9.734 -13.465 -0.222 1.00 0.79 H new ATOM 0 HG2 GLN A 127 -8.408 -11.671 -1.439 1.00 1.28 H new ATOM 0 HG3 GLN A 127 -7.175 -11.834 -0.203 1.00 1.28 H new ATOM 0 HE21 GLN A 127 -7.089 -12.356 -3.124 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -6.573 -14.037 -3.294 1.00 1.62 H new ATOM 1916 N GLY A 128 -11.922 -10.619 0.265 1.00 0.50 N ATOM 1917 CA GLY A 128 -12.911 -10.175 -0.687 1.00 0.50 C ATOM 1918 C GLY A 128 -12.643 -8.778 -1.176 1.00 0.45 C ATOM 1919 O GLY A 128 -13.123 -7.813 -0.590 1.00 0.77 O ATOM 0 H GLY A 128 -12.198 -10.547 1.244 1.00 0.50 H new ATOM 0 HA2 GLY A 128 -12.928 -10.858 -1.536 1.00 0.50 H new ATOM 0 HA3 GLY A 128 -13.898 -10.214 -0.227 1.00 0.50 H new ATOM 1923 N PHE A 129 -11.857 -8.665 -2.230 1.00 0.61 N ATOM 1924 CA PHE A 129 -11.556 -7.374 -2.813 1.00 0.63 C ATOM 1925 C PHE A 129 -11.530 -7.471 -4.333 1.00 0.58 C ATOM 1926 O PHE A 129 -11.288 -8.544 -4.889 1.00 0.63 O ATOM 1927 CB PHE A 129 -10.209 -6.859 -2.302 1.00 0.72 C ATOM 1928 CG PHE A 129 -9.023 -7.730 -2.637 1.00 0.77 C ATOM 1929 CD1 PHE A 129 -8.464 -7.699 -3.903 1.00 0.75 C ATOM 1930 CD2 PHE A 129 -8.485 -8.595 -1.693 1.00 1.02 C ATOM 1931 CE1 PHE A 129 -7.389 -8.508 -4.219 1.00 0.89 C ATOM 1932 CE2 PHE A 129 -7.410 -9.405 -2.006 1.00 1.21 C ATOM 1933 CZ PHE A 129 -6.814 -9.310 -3.240 1.00 1.14 C ATOM 0 H PHE A 129 -11.415 -9.455 -2.700 1.00 0.61 H new ATOM 0 HA PHE A 129 -12.337 -6.674 -2.517 1.00 0.63 H new ATOM 0 HB2 PHE A 129 -10.038 -5.864 -2.714 1.00 0.72 H new ATOM 0 HB3 PHE A 129 -10.266 -6.750 -1.219 1.00 0.72 H new ATOM 0 HD1 PHE A 129 -8.872 -7.036 -4.651 1.00 0.75 H new ATOM 0 HD2 PHE A 129 -8.912 -8.635 -0.702 1.00 1.02 H new ATOM 0 HE1 PHE A 129 -6.996 -8.517 -5.225 1.00 0.89 H new ATOM 0 HE2 PHE A 129 -7.038 -10.113 -1.280 1.00 1.21 H new ATOM 0 HZ PHE A 129 -5.905 -9.855 -3.448 1.00 1.14 H new ATOM 1943 N THR A 130 -11.773 -6.359 -5.000 1.00 0.61 N ATOM 1944 CA THR A 130 -11.673 -6.310 -6.450 1.00 0.63 C ATOM 1945 C THR A 130 -11.026 -5.001 -6.903 1.00 0.60 C ATOM 1946 O THR A 130 -11.470 -3.915 -6.518 1.00 0.67 O ATOM 1947 CB THR A 130 -13.055 -6.474 -7.122 1.00 0.73 C ATOM 1948 OG1 THR A 130 -13.616 -7.749 -6.782 1.00 1.47 O ATOM 1949 CG2 THR A 130 -12.950 -6.355 -8.638 1.00 0.90 C ATOM 0 H THR A 130 -12.041 -5.477 -4.563 1.00 0.61 H new ATOM 0 HA THR A 130 -11.044 -7.145 -6.760 1.00 0.63 H new ATOM 0 HB THR A 130 -13.702 -5.676 -6.757 1.00 0.73 H new ATOM 0 HG1 THR A 130 -14.492 -7.845 -7.210 1.00 1.47 H new ATOM 0 HG21 THR A 130 -13.938 -6.475 -9.082 1.00 0.90 H new ATOM 0 HG22 THR A 130 -12.551 -5.375 -8.899 1.00 0.90 H new ATOM 0 HG23 THR A 130 -12.285 -7.130 -9.019 1.00 0.90 H new ATOM 1957 N PRO A 131 -9.944 -5.101 -7.698 1.00 0.63 N ATOM 1958 CA PRO A 131 -9.251 -3.934 -8.259 1.00 0.65 C ATOM 1959 C PRO A 131 -10.188 -3.049 -9.070 1.00 0.63 C ATOM 1960 O PRO A 131 -10.969 -3.540 -9.888 1.00 0.75 O ATOM 1961 CB PRO A 131 -8.183 -4.549 -9.169 1.00 0.80 C ATOM 1962 CG PRO A 131 -7.975 -5.924 -8.639 1.00 0.92 C ATOM 1963 CD PRO A 131 -9.308 -6.365 -8.107 1.00 0.75 C ATOM 0 HA PRO A 131 -8.843 -3.290 -7.480 1.00 0.65 H new ATOM 0 HB2 PRO A 131 -8.514 -4.572 -10.207 1.00 0.80 H new ATOM 0 HB3 PRO A 131 -7.259 -3.971 -9.141 1.00 0.80 H new ATOM 0 HG2 PRO A 131 -7.625 -6.596 -9.423 1.00 0.92 H new ATOM 0 HG3 PRO A 131 -7.219 -5.930 -7.853 1.00 0.92 H new ATOM 0 HD2 PRO A 131 -9.893 -6.882 -8.867 1.00 0.75 H new ATOM 0 HD3 PRO A 131 -9.199 -7.051 -7.267 1.00 0.75 H new ATOM 1971 N SER A 132 -10.111 -1.748 -8.845 1.00 0.55 N ATOM 1972 CA SER A 132 -10.999 -0.815 -9.515 1.00 0.57 C ATOM 1973 C SER A 132 -10.336 0.549 -9.666 1.00 0.56 C ATOM 1974 O SER A 132 -10.223 1.301 -8.700 1.00 0.73 O ATOM 1975 CB SER A 132 -12.307 -0.690 -8.734 1.00 0.64 C ATOM 1976 OG SER A 132 -13.229 0.161 -9.394 1.00 1.52 O ATOM 0 H SER A 132 -9.444 -1.316 -8.205 1.00 0.55 H new ATOM 0 HA SER A 132 -11.217 -1.197 -10.512 1.00 0.57 H new ATOM 0 HB2 SER A 132 -12.750 -1.677 -8.605 1.00 0.64 H new ATOM 0 HB3 SER A 132 -12.101 -0.300 -7.737 1.00 0.64 H new ATOM 0 HG SER A 132 -13.814 0.586 -8.732 1.00 1.52 H new ATOM 1982 N GLY A 133 -9.874 0.851 -10.876 1.00 0.54 N ATOM 1983 CA GLY A 133 -9.272 2.146 -11.144 1.00 0.57 C ATOM 1984 C GLY A 133 -7.820 2.219 -10.723 1.00 0.62 C ATOM 1985 O GLY A 133 -7.140 3.215 -10.971 1.00 1.17 O ATOM 0 H GLY A 133 -9.906 0.221 -11.677 1.00 0.54 H new ATOM 0 HA2 GLY A 133 -9.347 2.363 -12.210 1.00 0.57 H new ATOM 0 HA3 GLY A 133 -9.836 2.918 -10.621 1.00 0.57 H new ATOM 1989 N THR A 134 -7.339 1.162 -10.094 1.00 0.62 N ATOM 1990 CA THR A 134 -6.044 1.186 -9.462 1.00 0.97 C ATOM 1991 C THR A 134 -5.017 0.330 -10.182 1.00 0.68 C ATOM 1992 O THR A 134 -5.144 -0.894 -10.242 1.00 0.95 O ATOM 1993 CB THR A 134 -6.188 0.649 -8.042 1.00 1.77 C ATOM 1994 OG1 THR A 134 -6.892 -0.596 -8.095 1.00 2.38 O ATOM 1995 CG2 THR A 134 -6.946 1.620 -7.161 1.00 2.47 C ATOM 0 H THR A 134 -7.834 0.274 -10.010 1.00 0.62 H new ATOM 0 HA THR A 134 -5.694 2.218 -9.482 1.00 0.97 H new ATOM 0 HB THR A 134 -5.195 0.512 -7.614 1.00 1.77 H new ATOM 0 HG1 THR A 134 -6.550 -1.134 -8.840 1.00 2.38 H new ATOM 0 HG21 THR A 134 -7.032 1.208 -6.155 1.00 2.47 H new ATOM 0 HG22 THR A 134 -6.410 2.568 -7.120 1.00 2.47 H new ATOM 0 HG23 THR A 134 -7.942 1.783 -7.572 1.00 2.47 H new ATOM 2003 N THR A 135 -4.016 0.977 -10.738 1.00 0.72 N ATOM 2004 CA THR A 135 -2.795 0.305 -11.125 1.00 0.70 C ATOM 2005 C THR A 135 -1.628 1.217 -10.779 1.00 0.64 C ATOM 2006 O THR A 135 -1.281 2.118 -11.547 1.00 0.88 O ATOM 2007 CB THR A 135 -2.765 -0.039 -12.627 1.00 1.08 C ATOM 2008 OG1 THR A 135 -4.000 -0.657 -13.020 1.00 1.82 O ATOM 2009 CG2 THR A 135 -1.610 -0.976 -12.944 1.00 1.27 C ATOM 0 H THR A 135 -4.025 1.978 -10.934 1.00 0.72 H new ATOM 0 HA THR A 135 -2.730 -0.640 -10.586 1.00 0.70 H new ATOM 0 HB THR A 135 -2.630 0.889 -13.182 1.00 1.08 H new ATOM 0 HG1 THR A 135 -3.970 -0.870 -13.976 1.00 1.82 H new ATOM 0 HG21 THR A 135 -1.609 -1.205 -14.010 1.00 1.27 H new ATOM 0 HG22 THR A 135 -0.669 -0.497 -12.675 1.00 1.27 H new ATOM 0 HG23 THR A 135 -1.723 -1.899 -12.375 1.00 1.27 H new ATOM 2017 N GLY A 136 -1.045 1.002 -9.617 1.00 0.52 N ATOM 2018 CA GLY A 136 -0.058 1.924 -9.125 1.00 0.58 C ATOM 2019 C GLY A 136 1.296 1.296 -8.947 1.00 0.45 C ATOM 2020 O GLY A 136 1.427 0.074 -8.888 1.00 0.67 O ATOM 0 H GLY A 136 -1.238 0.207 -9.008 1.00 0.52 H new ATOM 0 HA2 GLY A 136 0.025 2.762 -9.817 1.00 0.58 H new ATOM 0 HA3 GLY A 136 -0.392 2.330 -8.170 1.00 0.58 H new ATOM 2024 N THR A 137 2.307 2.133 -8.883 1.00 0.38 N ATOM 2025 CA THR A 137 3.655 1.682 -8.628 1.00 0.33 C ATOM 2026 C THR A 137 4.378 2.692 -7.751 1.00 0.33 C ATOM 2027 O THR A 137 4.750 3.772 -8.211 1.00 0.39 O ATOM 2028 CB THR A 137 4.443 1.482 -9.937 1.00 0.42 C ATOM 2029 OG1 THR A 137 3.676 0.683 -10.853 1.00 0.58 O ATOM 2030 CG2 THR A 137 5.778 0.801 -9.667 1.00 0.50 C ATOM 0 H THR A 137 2.218 3.142 -9.006 1.00 0.38 H new ATOM 0 HA THR A 137 3.594 0.721 -8.118 1.00 0.33 H new ATOM 0 HB THR A 137 4.632 2.462 -10.374 1.00 0.42 H new ATOM 0 HG1 THR A 137 4.182 0.561 -11.683 1.00 0.58 H new ATOM 0 HG21 THR A 137 6.316 0.670 -10.606 1.00 0.50 H new ATOM 0 HG22 THR A 137 6.371 1.418 -8.991 1.00 0.50 H new ATOM 0 HG23 THR A 137 5.604 -0.173 -9.210 1.00 0.50 H new ATOM 2038 N THR A 138 4.529 2.365 -6.481 1.00 0.32 N ATOM 2039 CA THR A 138 5.298 3.198 -5.587 1.00 0.36 C ATOM 2040 C THR A 138 6.775 2.913 -5.796 1.00 0.37 C ATOM 2041 O THR A 138 7.266 1.838 -5.455 1.00 0.38 O ATOM 2042 CB THR A 138 4.909 2.953 -4.117 1.00 0.39 C ATOM 2043 OG1 THR A 138 3.496 3.120 -3.964 1.00 0.40 O ATOM 2044 CG2 THR A 138 5.638 3.912 -3.189 1.00 0.52 C ATOM 0 H THR A 138 4.130 1.531 -6.050 1.00 0.32 H new ATOM 0 HA THR A 138 5.086 4.244 -5.811 1.00 0.36 H new ATOM 0 HB THR A 138 5.196 1.936 -3.851 1.00 0.39 H new ATOM 0 HG1 THR A 138 3.247 2.963 -3.029 1.00 0.40 H new ATOM 0 HG21 THR A 138 5.343 3.715 -2.158 1.00 0.52 H new ATOM 0 HG22 THR A 138 6.714 3.771 -3.292 1.00 0.52 H new ATOM 0 HG23 THR A 138 5.380 4.938 -3.451 1.00 0.52 H new ATOM 2052 N LYS A 139 7.473 3.853 -6.396 1.00 0.41 N ATOM 2053 CA LYS A 139 8.869 3.650 -6.698 1.00 0.44 C ATOM 2054 C LYS A 139 9.730 4.228 -5.591 1.00 0.44 C ATOM 2055 O LYS A 139 9.808 5.448 -5.411 1.00 0.49 O ATOM 2056 CB LYS A 139 9.231 4.275 -8.046 1.00 0.53 C ATOM 2057 CG LYS A 139 10.614 3.878 -8.548 1.00 0.59 C ATOM 2058 CD LYS A 139 10.751 2.368 -8.695 1.00 1.21 C ATOM 2059 CE LYS A 139 9.710 1.786 -9.641 1.00 1.33 C ATOM 2060 NZ LYS A 139 9.873 2.265 -11.039 1.00 2.18 N ATOM 0 H LYS A 139 7.098 4.758 -6.682 1.00 0.41 H new ATOM 0 HA LYS A 139 9.057 2.578 -6.764 1.00 0.44 H new ATOM 0 HB2 LYS A 139 8.486 3.981 -8.786 1.00 0.53 H new ATOM 0 HB3 LYS A 139 9.182 5.360 -7.959 1.00 0.53 H new ATOM 0 HG2 LYS A 139 10.802 4.355 -9.510 1.00 0.59 H new ATOM 0 HG3 LYS A 139 11.371 4.246 -7.856 1.00 0.59 H new ATOM 0 HD2 LYS A 139 11.749 2.130 -9.064 1.00 1.21 H new ATOM 0 HD3 LYS A 139 10.653 1.899 -7.716 1.00 1.21 H new ATOM 0 HE2 LYS A 139 9.777 0.698 -9.624 1.00 1.33 H new ATOM 0 HE3 LYS A 139 8.714 2.049 -9.285 1.00 1.33 H new ATOM 0 HZ1 LYS A 139 9.171 1.799 -11.649 1.00 2.18 H new ATOM 0 HZ2 LYS A 139 9.731 3.295 -11.072 1.00 2.18 H new ATOM 0 HZ3 LYS A 139 10.830 2.036 -11.375 1.00 2.18 H new ATOM 2074 N LEU A 140 10.346 3.340 -4.839 1.00 0.45 N ATOM 2075 CA LEU A 140 11.268 3.729 -3.799 1.00 0.44 C ATOM 2076 C LEU A 140 12.697 3.602 -4.318 1.00 0.39 C ATOM 2077 O LEU A 140 13.227 2.503 -4.467 1.00 0.40 O ATOM 2078 CB LEU A 140 11.042 2.883 -2.534 1.00 0.46 C ATOM 2079 CG LEU A 140 12.292 2.606 -1.685 1.00 0.53 C ATOM 2080 CD1 LEU A 140 12.821 3.881 -1.058 1.00 0.63 C ATOM 2081 CD2 LEU A 140 11.995 1.581 -0.611 1.00 0.62 C ATOM 0 H LEU A 140 10.221 2.332 -4.933 1.00 0.45 H new ATOM 0 HA LEU A 140 11.094 4.769 -3.524 1.00 0.44 H new ATOM 0 HB2 LEU A 140 10.305 3.387 -1.909 1.00 0.46 H new ATOM 0 HB3 LEU A 140 10.608 1.928 -2.831 1.00 0.46 H new ATOM 0 HG LEU A 140 13.060 2.206 -2.347 1.00 0.53 H new ATOM 0 HD11 LEU A 140 13.706 3.654 -0.463 1.00 0.63 H new ATOM 0 HD12 LEU A 140 13.084 4.591 -1.843 1.00 0.63 H new ATOM 0 HD13 LEU A 140 12.055 4.316 -0.417 1.00 0.63 H new ATOM 0 HD21 LEU A 140 12.894 1.400 -0.022 1.00 0.62 H new ATOM 0 HD22 LEU A 140 11.204 1.954 0.039 1.00 0.62 H new ATOM 0 HD23 LEU A 140 11.673 0.649 -1.076 1.00 0.62 H new ATOM 2093 N THR A 141 13.299 4.734 -4.628 1.00 0.39 N ATOM 2094 CA THR A 141 14.653 4.760 -5.141 1.00 0.38 C ATOM 2095 C THR A 141 15.546 5.552 -4.197 1.00 0.34 C ATOM 2096 O THR A 141 15.128 6.576 -3.656 1.00 0.40 O ATOM 2097 CB THR A 141 14.696 5.400 -6.541 1.00 0.48 C ATOM 2098 OG1 THR A 141 13.652 4.855 -7.362 1.00 0.58 O ATOM 2099 CG2 THR A 141 16.039 5.155 -7.210 1.00 0.54 C ATOM 0 H THR A 141 12.867 5.653 -4.532 1.00 0.39 H new ATOM 0 HA THR A 141 15.011 3.733 -5.214 1.00 0.38 H new ATOM 0 HB THR A 141 14.552 6.474 -6.426 1.00 0.48 H new ATOM 0 HG1 THR A 141 13.975 4.043 -7.805 1.00 0.58 H new ATOM 0 HG21 THR A 141 16.043 5.617 -8.197 1.00 0.54 H new ATOM 0 HG22 THR A 141 16.833 5.590 -6.602 1.00 0.54 H new ATOM 0 HG23 THR A 141 16.205 4.082 -7.311 1.00 0.54 H new ATOM 2107 N VAL A 142 16.761 5.072 -3.988 1.00 0.44 N ATOM 2108 CA VAL A 142 17.702 5.755 -3.117 1.00 0.57 C ATOM 2109 C VAL A 142 18.402 6.893 -3.863 1.00 0.77 C ATOM 2110 O VAL A 142 18.576 6.842 -5.084 1.00 1.10 O ATOM 2111 CB VAL A 142 18.752 4.774 -2.538 1.00 0.80 C ATOM 2112 CG1 VAL A 142 19.585 4.153 -3.646 1.00 1.69 C ATOM 2113 CG2 VAL A 142 19.647 5.461 -1.518 1.00 1.74 C ATOM 0 H VAL A 142 17.118 4.214 -4.409 1.00 0.44 H new ATOM 0 HA VAL A 142 17.134 6.174 -2.286 1.00 0.57 H new ATOM 0 HB VAL A 142 18.211 3.977 -2.028 1.00 0.80 H new ATOM 0 HG11 VAL A 142 20.314 3.469 -3.213 1.00 1.69 H new ATOM 0 HG12 VAL A 142 18.934 3.606 -4.328 1.00 1.69 H new ATOM 0 HG13 VAL A 142 20.105 4.939 -4.194 1.00 1.69 H new ATOM 0 HG21 VAL A 142 20.373 4.746 -1.131 1.00 1.74 H new ATOM 0 HG22 VAL A 142 20.172 6.289 -1.994 1.00 1.74 H new ATOM 0 HG23 VAL A 142 19.038 5.841 -0.697 1.00 1.74 H new ATOM 2123 N THR A 143 18.757 7.936 -3.128 1.00 0.85 N ATOM 2124 CA THR A 143 19.510 9.050 -3.673 1.00 1.18 C ATOM 2125 C THR A 143 20.427 9.620 -2.594 1.00 1.82 C ATOM 2126 O THR A 143 19.936 10.388 -1.738 1.00 2.22 O ATOM 2127 CB THR A 143 18.579 10.155 -4.217 1.00 1.54 C ATOM 2128 OG1 THR A 143 17.696 9.602 -5.201 1.00 2.04 O ATOM 2129 CG2 THR A 143 19.383 11.287 -4.840 1.00 1.94 C ATOM 2130 OXT THR A 143 21.627 9.268 -2.586 1.00 2.58 O ATOM 0 H THR A 143 18.530 8.032 -2.138 1.00 0.85 H new ATOM 0 HA THR A 143 20.106 8.682 -4.508 1.00 1.18 H new ATOM 0 HB THR A 143 18.002 10.556 -3.384 1.00 1.54 H new ATOM 0 HG1 THR A 143 17.339 10.322 -5.762 1.00 2.04 H new ATOM 0 HG21 THR A 143 18.704 12.052 -5.215 1.00 1.94 H new ATOM 0 HG22 THR A 143 20.041 11.723 -4.088 1.00 1.94 H new ATOM 0 HG23 THR A 143 19.982 10.898 -5.664 1.00 1.94 H new