USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 741 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 138 THR OG1 : rot 180:sc= -0.0216 USER MOD Set 1.2: A 141 ASN : amide:sc= 0 K(o=-0.022,f=-0.69) USER MOD Single : A 73 MET CE :methyl 156:sc= -0.144 (180deg=-0.725) USER MOD Single : A 75 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-7.7!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 148:sc= -0.0395 (180deg=-0.531) USER MOD Single : A 82 GLN : amide:sc= 0.00838 X(o=0.0084,f=-0.15) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 42:sc= 0.0348 USER MOD Single : A 90 HIS : no HD1:sc= 0.75 K(o=0.75,f=-4.2!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -85:sc= -1.34 USER MOD Single : A 100 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 102 LYS NZ :NH3+ -141:sc= 0.325 (180deg=-2.51!) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.0552 F(o=-1.5,f=-0.055) USER MOD Single : A 104 HIS :FLIP no HE2:sc= 0.173 F(o=-0.64,f=0.17) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -150:sc= 1.26 (180deg=0.888) USER MOD Single : A 112 SER OG : rot 133:sc= 1.13 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot -36:sc= 0.223 USER MOD Single : A 118 LYS NZ :NH3+ 161:sc= -2.03! (180deg=-2.86!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 170:sc=-0.00972 (180deg=-0.144) USER MOD Single : A 127 HIS : no HD1:sc= -1.18 X(o=-1.2,f=-0.87) USER MOD Single : A 129 ASN : amide:sc= 1.14 K(o=1.1,f=-0.026) USER MOD Single : A 133 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot -111:sc= 1.24 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 MET CE :methyl -156:sc= 0 (180deg=-0.0855) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 ASN : amide:sc=-0.000815 X(o=-0.00082,f=-0.12) USER MOD Single : A 154 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.0072) USER MOD Single : A 155 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 156 HIS : no HD1:sc= -0.0816 X(o=-0.082,f=-0.05) USER MOD Single : A 157 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 158 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 159 HIS : no HD1:sc=-0.00106 X(o=-0.0011,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 73 17.078 -2.099 -7.611 1.00 2.05 N ATOM 2 CA MET A 73 15.662 -2.059 -8.039 1.00 1.60 C ATOM 3 C MET A 73 14.746 -2.180 -6.831 1.00 1.28 C ATOM 4 O MET A 73 14.746 -3.205 -6.147 1.00 1.73 O ATOM 5 CB MET A 73 15.358 -3.196 -9.025 1.00 1.92 C ATOM 6 CG MET A 73 16.169 -3.140 -10.313 1.00 2.47 C ATOM 7 SD MET A 73 17.904 -3.582 -10.076 1.00 3.03 S ATOM 8 CE MET A 73 17.752 -5.304 -9.601 1.00 3.72 C ATOM 0 HA MET A 73 15.486 -1.105 -8.536 1.00 1.60 H new ATOM 0 HB2 MET A 73 15.546 -4.150 -8.532 1.00 1.92 H new ATOM 0 HB3 MET A 73 14.297 -3.171 -9.275 1.00 1.92 H new ATOM 0 HG2 MET A 73 15.725 -3.815 -11.045 1.00 2.47 H new ATOM 0 HG3 MET A 73 16.110 -2.134 -10.729 1.00 2.47 H new ATOM 0 HE1 MET A 73 18.681 -5.827 -9.828 1.00 3.72 H new ATOM 0 HE2 MET A 73 17.551 -5.370 -8.532 1.00 3.72 H new ATOM 0 HE3 MET A 73 16.932 -5.763 -10.154 1.00 3.72 H new ATOM 20 N VAL A 74 13.975 -1.137 -6.561 1.00 0.95 N ATOM 21 CA VAL A 74 13.029 -1.161 -5.457 1.00 0.74 C ATOM 22 C VAL A 74 11.663 -1.595 -5.970 1.00 0.65 C ATOM 23 O VAL A 74 10.787 -0.773 -6.250 1.00 0.57 O ATOM 24 CB VAL A 74 12.913 0.208 -4.754 1.00 0.69 C ATOM 25 CG1 VAL A 74 12.141 0.080 -3.452 1.00 1.15 C ATOM 26 CG2 VAL A 74 14.288 0.800 -4.499 1.00 1.18 C ATOM 0 H VAL A 74 13.986 -0.265 -7.091 1.00 0.95 H new ATOM 0 HA VAL A 74 13.400 -1.873 -4.719 1.00 0.74 H new ATOM 0 HB VAL A 74 12.366 0.881 -5.414 1.00 0.69 H new ATOM 0 HG11 VAL A 74 12.071 1.057 -2.973 1.00 1.15 H new ATOM 0 HG12 VAL A 74 11.139 -0.295 -3.659 1.00 1.15 H new ATOM 0 HG13 VAL A 74 12.658 -0.613 -2.789 1.00 1.15 H new ATOM 0 HG21 VAL A 74 14.182 1.765 -4.003 1.00 1.18 H new ATOM 0 HG22 VAL A 74 14.862 0.126 -3.863 1.00 1.18 H new ATOM 0 HG23 VAL A 74 14.808 0.935 -5.448 1.00 1.18 H new ATOM 36 N HIS A 75 11.504 -2.897 -6.109 1.00 0.76 N ATOM 37 CA HIS A 75 10.294 -3.473 -6.663 1.00 0.70 C ATOM 38 C HIS A 75 9.386 -3.963 -5.542 1.00 0.58 C ATOM 39 O HIS A 75 9.626 -5.017 -4.960 1.00 0.72 O ATOM 40 CB HIS A 75 10.667 -4.624 -7.601 1.00 0.92 C ATOM 41 CG HIS A 75 9.508 -5.245 -8.313 1.00 1.33 C ATOM 42 ND1 HIS A 75 9.050 -4.802 -9.535 1.00 1.77 N ATOM 43 CD2 HIS A 75 8.724 -6.297 -7.980 1.00 2.44 C ATOM 44 CE1 HIS A 75 8.038 -5.551 -9.920 1.00 2.67 C ATOM 45 NE2 HIS A 75 7.819 -6.466 -8.996 1.00 3.06 N ATOM 0 H HIS A 75 12.209 -3.584 -5.842 1.00 0.76 H new ATOM 0 HA HIS A 75 9.753 -2.715 -7.229 1.00 0.70 H new ATOM 0 HB2 HIS A 75 11.377 -4.257 -8.342 1.00 0.92 H new ATOM 0 HB3 HIS A 75 11.178 -5.395 -7.024 1.00 0.92 H new ATOM 0 HD2 HIS A 75 8.798 -6.892 -7.082 1.00 2.44 H new ATOM 0 HE1 HIS A 75 7.481 -5.435 -10.838 1.00 2.67 H new ATOM 0 HE2 HIS A 75 7.094 -7.183 -9.031 1.00 3.06 H new ATOM 54 N LEU A 76 8.346 -3.200 -5.246 1.00 0.41 N ATOM 55 CA LEU A 76 7.453 -3.536 -4.149 1.00 0.29 C ATOM 56 C LEU A 76 6.287 -4.386 -4.635 1.00 0.23 C ATOM 57 O LEU A 76 5.464 -3.932 -5.434 1.00 0.28 O ATOM 58 CB LEU A 76 6.911 -2.273 -3.468 1.00 0.26 C ATOM 59 CG LEU A 76 7.959 -1.327 -2.874 1.00 0.35 C ATOM 60 CD1 LEU A 76 8.448 -0.331 -3.915 1.00 0.54 C ATOM 61 CD2 LEU A 76 7.393 -0.603 -1.663 1.00 0.27 C ATOM 0 H LEU A 76 8.100 -2.347 -5.748 1.00 0.41 H new ATOM 0 HA LEU A 76 8.034 -4.107 -3.425 1.00 0.29 H new ATOM 0 HB2 LEU A 76 6.320 -1.717 -4.196 1.00 0.26 H new ATOM 0 HB3 LEU A 76 6.232 -2.577 -2.671 1.00 0.26 H new ATOM 0 HG LEU A 76 8.813 -1.923 -2.554 1.00 0.35 H new ATOM 0 HD11 LEU A 76 9.191 0.328 -3.467 1.00 0.54 H new ATOM 0 HD12 LEU A 76 8.897 -0.869 -4.750 1.00 0.54 H new ATOM 0 HD13 LEU A 76 7.607 0.262 -4.275 1.00 0.54 H new ATOM 0 HD21 LEU A 76 8.150 0.065 -1.252 1.00 0.27 H new ATOM 0 HD22 LEU A 76 6.520 -0.023 -1.961 1.00 0.27 H new ATOM 0 HD23 LEU A 76 7.103 -1.332 -0.906 1.00 0.27 H new ATOM 73 N THR A 77 6.230 -5.618 -4.161 1.00 0.20 N ATOM 74 CA THR A 77 5.106 -6.490 -4.438 1.00 0.16 C ATOM 75 C THR A 77 4.122 -6.434 -3.280 1.00 0.16 C ATOM 76 O THR A 77 4.257 -7.158 -2.294 1.00 0.20 O ATOM 77 CB THR A 77 5.562 -7.943 -4.664 1.00 0.15 C ATOM 78 OG1 THR A 77 6.524 -7.988 -5.726 1.00 0.21 O ATOM 79 CG2 THR A 77 4.378 -8.843 -4.999 1.00 0.26 C ATOM 0 H THR A 77 6.955 -6.038 -3.579 1.00 0.20 H new ATOM 0 HA THR A 77 4.624 -6.144 -5.352 1.00 0.16 H new ATOM 0 HB THR A 77 6.017 -8.308 -3.743 1.00 0.15 H new ATOM 0 HG1 THR A 77 6.813 -8.914 -5.866 1.00 0.21 H new ATOM 0 HG21 THR A 77 4.729 -9.863 -5.154 1.00 0.26 H new ATOM 0 HG22 THR A 77 3.664 -8.826 -4.176 1.00 0.26 H new ATOM 0 HG23 THR A 77 3.894 -8.484 -5.907 1.00 0.26 H new ATOM 87 N LEU A 78 3.142 -5.560 -3.404 1.00 0.17 N ATOM 88 CA LEU A 78 2.183 -5.328 -2.343 1.00 0.20 C ATOM 89 C LEU A 78 1.122 -6.418 -2.360 1.00 0.18 C ATOM 90 O LEU A 78 0.180 -6.378 -3.156 1.00 0.20 O ATOM 91 CB LEU A 78 1.532 -3.952 -2.511 1.00 0.22 C ATOM 92 CG LEU A 78 2.486 -2.814 -2.895 1.00 0.30 C ATOM 93 CD1 LEU A 78 1.735 -1.496 -2.973 1.00 0.69 C ATOM 94 CD2 LEU A 78 3.640 -2.713 -1.910 1.00 0.72 C ATOM 0 H LEU A 78 2.989 -4.994 -4.239 1.00 0.17 H new ATOM 0 HA LEU A 78 2.701 -5.353 -1.384 1.00 0.20 H new ATOM 0 HB2 LEU A 78 0.757 -4.026 -3.274 1.00 0.22 H new ATOM 0 HB3 LEU A 78 1.036 -3.687 -1.577 1.00 0.22 H new ATOM 0 HG LEU A 78 2.901 -3.037 -3.878 1.00 0.30 H new ATOM 0 HD11 LEU A 78 2.426 -0.699 -3.247 1.00 0.69 H new ATOM 0 HD12 LEU A 78 0.949 -1.569 -3.725 1.00 0.69 H new ATOM 0 HD13 LEU A 78 1.290 -1.273 -2.003 1.00 0.69 H new ATOM 0 HD21 LEU A 78 4.301 -1.898 -2.206 1.00 0.72 H new ATOM 0 HD22 LEU A 78 3.250 -2.519 -0.911 1.00 0.72 H new ATOM 0 HD23 LEU A 78 4.198 -3.649 -1.906 1.00 0.72 H new ATOM 106 N LYS A 79 1.297 -7.408 -1.500 1.00 0.19 N ATOM 107 CA LYS A 79 0.361 -8.508 -1.411 1.00 0.19 C ATOM 108 C LYS A 79 -0.738 -8.190 -0.403 1.00 0.17 C ATOM 109 O LYS A 79 -0.489 -8.078 0.800 1.00 0.18 O ATOM 110 CB LYS A 79 1.095 -9.796 -1.041 1.00 0.29 C ATOM 111 CG LYS A 79 0.181 -11.002 -0.921 1.00 0.35 C ATOM 112 CD LYS A 79 0.967 -12.300 -0.845 1.00 0.88 C ATOM 113 CE LYS A 79 1.990 -12.281 0.279 1.00 0.97 C ATOM 114 NZ LYS A 79 2.685 -13.588 0.414 1.00 1.39 N ATOM 0 H LYS A 79 2.083 -7.469 -0.853 1.00 0.19 H new ATOM 0 HA LYS A 79 -0.109 -8.653 -2.384 1.00 0.19 H new ATOM 0 HB2 LYS A 79 1.856 -10.000 -1.795 1.00 0.29 H new ATOM 0 HB3 LYS A 79 1.615 -9.649 -0.095 1.00 0.29 H new ATOM 0 HG2 LYS A 79 -0.440 -10.900 -0.031 1.00 0.35 H new ATOM 0 HG3 LYS A 79 -0.492 -11.034 -1.777 1.00 0.35 H new ATOM 0 HD2 LYS A 79 0.279 -13.132 -0.695 1.00 0.88 H new ATOM 0 HD3 LYS A 79 1.474 -12.473 -1.794 1.00 0.88 H new ATOM 0 HE2 LYS A 79 2.723 -11.497 0.090 1.00 0.97 H new ATOM 0 HE3 LYS A 79 1.494 -12.034 1.218 1.00 0.97 H new ATOM 0 HZ1 LYS A 79 3.375 -13.536 1.191 1.00 1.39 H new ATOM 0 HZ2 LYS A 79 1.988 -14.332 0.619 1.00 1.39 H new ATOM 0 HZ3 LYS A 79 3.179 -13.812 -0.473 1.00 1.39 H new ATOM 128 N LYS A 80 -1.950 -8.033 -0.911 1.00 0.20 N ATOM 129 CA LYS A 80 -3.090 -7.632 -0.105 1.00 0.20 C ATOM 130 C LYS A 80 -3.847 -8.853 0.389 1.00 0.26 C ATOM 131 O LYS A 80 -4.481 -9.559 -0.394 1.00 0.30 O ATOM 132 CB LYS A 80 -4.002 -6.729 -0.937 1.00 0.18 C ATOM 133 CG LYS A 80 -5.222 -6.196 -0.204 1.00 0.21 C ATOM 134 CD LYS A 80 -5.953 -5.186 -1.072 1.00 0.26 C ATOM 135 CE LYS A 80 -7.285 -4.769 -0.483 1.00 0.30 C ATOM 136 NZ LYS A 80 -7.919 -3.670 -1.266 1.00 0.40 N ATOM 0 H LYS A 80 -2.170 -8.181 -1.896 1.00 0.20 H new ATOM 0 HA LYS A 80 -2.741 -7.080 0.768 1.00 0.20 H new ATOM 0 HB2 LYS A 80 -3.417 -5.884 -1.300 1.00 0.18 H new ATOM 0 HB3 LYS A 80 -4.337 -7.285 -1.813 1.00 0.18 H new ATOM 0 HG2 LYS A 80 -5.890 -7.018 0.052 1.00 0.21 H new ATOM 0 HG3 LYS A 80 -4.918 -5.729 0.733 1.00 0.21 H new ATOM 0 HD2 LYS A 80 -5.326 -4.304 -1.204 1.00 0.26 H new ATOM 0 HD3 LYS A 80 -6.115 -5.613 -2.062 1.00 0.26 H new ATOM 0 HE2 LYS A 80 -7.955 -5.628 -0.455 1.00 0.30 H new ATOM 0 HE3 LYS A 80 -7.141 -4.444 0.547 1.00 0.30 H new ATOM 0 HZ1 LYS A 80 -8.954 -3.765 -1.222 1.00 0.40 H new ATOM 0 HZ2 LYS A 80 -7.638 -2.752 -0.866 1.00 0.40 H new ATOM 0 HZ3 LYS A 80 -7.608 -3.726 -2.257 1.00 0.40 H new ATOM 150 N ILE A 81 -3.781 -9.092 1.689 1.00 0.33 N ATOM 151 CA ILE A 81 -4.396 -10.271 2.287 1.00 0.42 C ATOM 152 C ILE A 81 -5.594 -9.900 3.159 1.00 0.42 C ATOM 153 O ILE A 81 -5.865 -10.551 4.167 1.00 0.46 O ATOM 154 CB ILE A 81 -3.378 -11.067 3.138 1.00 0.53 C ATOM 155 CG1 ILE A 81 -2.753 -10.167 4.214 1.00 0.51 C ATOM 156 CG2 ILE A 81 -2.300 -11.667 2.246 1.00 0.64 C ATOM 157 CD1 ILE A 81 -1.888 -10.913 5.209 1.00 0.63 C ATOM 0 H ILE A 81 -3.306 -8.483 2.355 1.00 0.33 H new ATOM 0 HA ILE A 81 -4.739 -10.895 1.462 1.00 0.42 H new ATOM 0 HB ILE A 81 -3.904 -11.880 3.639 1.00 0.53 H new ATOM 0 HG12 ILE A 81 -2.151 -9.399 3.727 1.00 0.51 H new ATOM 0 HG13 ILE A 81 -3.550 -9.654 4.753 1.00 0.51 H new ATOM 0 HG21 ILE A 81 -1.590 -12.224 2.857 1.00 0.64 H new ATOM 0 HG22 ILE A 81 -2.760 -12.338 1.521 1.00 0.64 H new ATOM 0 HG23 ILE A 81 -1.777 -10.868 1.720 1.00 0.64 H new ATOM 0 HD11 ILE A 81 -1.482 -10.210 5.937 1.00 0.63 H new ATOM 0 HD12 ILE A 81 -2.489 -11.662 5.724 1.00 0.63 H new ATOM 0 HD13 ILE A 81 -1.069 -11.404 4.683 1.00 0.63 H new ATOM 169 N GLN A 82 -6.311 -8.854 2.777 1.00 0.44 N ATOM 170 CA GLN A 82 -7.462 -8.412 3.552 1.00 0.47 C ATOM 171 C GLN A 82 -8.764 -8.579 2.772 1.00 0.49 C ATOM 172 O GLN A 82 -9.380 -9.642 2.811 1.00 0.54 O ATOM 173 CB GLN A 82 -7.272 -6.965 3.988 1.00 0.46 C ATOM 174 CG GLN A 82 -6.157 -6.778 5.005 1.00 0.47 C ATOM 175 CD GLN A 82 -6.448 -7.458 6.329 1.00 0.57 C ATOM 176 OE1 GLN A 82 -7.029 -6.855 7.231 1.00 1.22 O ATOM 177 NE2 GLN A 82 -6.051 -8.713 6.455 1.00 1.15 N ATOM 0 H GLN A 82 -6.119 -8.299 1.943 1.00 0.44 H new ATOM 0 HA GLN A 82 -7.535 -9.041 4.439 1.00 0.47 H new ATOM 0 HB2 GLN A 82 -7.058 -6.355 3.110 1.00 0.46 H new ATOM 0 HB3 GLN A 82 -8.206 -6.597 4.413 1.00 0.46 H new ATOM 0 HG2 GLN A 82 -5.228 -7.174 4.595 1.00 0.47 H new ATOM 0 HG3 GLN A 82 -6.002 -5.713 5.175 1.00 0.47 H new ATOM 0 HE21 GLN A 82 -5.572 -9.176 5.683 1.00 1.15 H new ATOM 0 HE22 GLN A 82 -6.223 -9.218 7.325 1.00 1.15 H new ATOM 186 N ALA A 83 -9.173 -7.537 2.052 1.00 0.46 N ATOM 187 CA ALA A 83 -10.379 -7.597 1.230 1.00 0.50 C ATOM 188 C ALA A 83 -10.386 -6.460 0.215 1.00 0.47 C ATOM 189 O ALA A 83 -10.008 -5.338 0.543 1.00 0.47 O ATOM 190 CB ALA A 83 -11.627 -7.532 2.100 1.00 0.60 C ATOM 0 H ALA A 83 -8.687 -6.641 2.021 1.00 0.46 H new ATOM 0 HA ALA A 83 -10.381 -8.546 0.694 1.00 0.50 H new ATOM 0 HB1 ALA A 83 -12.514 -7.578 1.468 1.00 0.60 H new ATOM 0 HB2 ALA A 83 -11.631 -8.373 2.793 1.00 0.60 H new ATOM 0 HB3 ALA A 83 -11.630 -6.598 2.662 1.00 0.60 H new ATOM 196 N PRO A 84 -10.765 -6.736 -1.046 1.00 0.48 N ATOM 197 CA PRO A 84 -11.109 -8.082 -1.512 1.00 0.48 C ATOM 198 C PRO A 84 -9.871 -8.897 -1.883 1.00 0.40 C ATOM 199 O PRO A 84 -9.975 -9.968 -2.483 1.00 0.39 O ATOM 200 CB PRO A 84 -11.954 -7.805 -2.750 1.00 0.53 C ATOM 201 CG PRO A 84 -11.403 -6.535 -3.302 1.00 0.77 C ATOM 202 CD PRO A 84 -10.914 -5.735 -2.120 1.00 0.54 C ATOM 0 HA PRO A 84 -11.618 -8.670 -0.748 1.00 0.48 H new ATOM 0 HB2 PRO A 84 -11.878 -8.618 -3.472 1.00 0.53 H new ATOM 0 HB3 PRO A 84 -13.009 -7.702 -2.496 1.00 0.53 H new ATOM 0 HG2 PRO A 84 -10.589 -6.735 -3.999 1.00 0.77 H new ATOM 0 HG3 PRO A 84 -12.167 -5.987 -3.853 1.00 0.77 H new ATOM 0 HD2 PRO A 84 -9.968 -5.240 -2.338 1.00 0.54 H new ATOM 0 HD3 PRO A 84 -11.625 -4.956 -1.844 1.00 0.54 H new ATOM 210 N LYS A 85 -8.706 -8.350 -1.523 1.00 0.35 N ATOM 211 CA LYS A 85 -7.403 -9.004 -1.708 1.00 0.30 C ATOM 212 C LYS A 85 -6.929 -8.964 -3.162 1.00 0.27 C ATOM 213 O LYS A 85 -7.731 -8.933 -4.095 1.00 0.31 O ATOM 214 CB LYS A 85 -7.423 -10.451 -1.208 1.00 0.34 C ATOM 215 CG LYS A 85 -7.865 -10.598 0.239 1.00 0.41 C ATOM 216 CD LYS A 85 -7.688 -12.025 0.734 1.00 0.50 C ATOM 217 CE LYS A 85 -8.417 -13.021 -0.155 1.00 1.33 C ATOM 218 NZ LYS A 85 -8.301 -14.411 0.355 1.00 1.96 N ATOM 0 H LYS A 85 -8.638 -7.429 -1.089 1.00 0.35 H new ATOM 0 HA LYS A 85 -6.693 -8.434 -1.109 1.00 0.30 H new ATOM 0 HB2 LYS A 85 -8.090 -11.035 -1.842 1.00 0.34 H new ATOM 0 HB3 LYS A 85 -6.426 -10.877 -1.318 1.00 0.34 H new ATOM 0 HG2 LYS A 85 -7.288 -9.920 0.867 1.00 0.41 H new ATOM 0 HG3 LYS A 85 -8.911 -10.307 0.332 1.00 0.41 H new ATOM 0 HD2 LYS A 85 -6.627 -12.271 0.763 1.00 0.50 H new ATOM 0 HD3 LYS A 85 -8.062 -12.106 1.755 1.00 0.50 H new ATOM 0 HE2 LYS A 85 -9.470 -12.746 -0.221 1.00 1.33 H new ATOM 0 HE3 LYS A 85 -8.011 -12.970 -1.165 1.00 1.33 H new ATOM 0 HZ1 LYS A 85 -8.812 -15.057 -0.280 1.00 1.96 H new ATOM 0 HZ2 LYS A 85 -7.298 -14.684 0.394 1.00 1.96 H new ATOM 0 HZ3 LYS A 85 -8.712 -14.466 1.309 1.00 1.96 H new ATOM 232 N PHE A 86 -5.608 -8.947 -3.321 1.00 0.24 N ATOM 233 CA PHE A 86 -4.947 -8.980 -4.625 1.00 0.23 C ATOM 234 C PHE A 86 -3.437 -8.980 -4.421 1.00 0.22 C ATOM 235 O PHE A 86 -2.962 -9.016 -3.286 1.00 0.24 O ATOM 236 CB PHE A 86 -5.363 -7.791 -5.519 1.00 0.26 C ATOM 237 CG PHE A 86 -5.152 -6.420 -4.918 1.00 0.25 C ATOM 238 CD1 PHE A 86 -3.894 -5.996 -4.520 1.00 0.27 C ATOM 239 CD2 PHE A 86 -6.219 -5.549 -4.775 1.00 0.30 C ATOM 240 CE1 PHE A 86 -3.705 -4.737 -3.988 1.00 0.30 C ATOM 241 CE2 PHE A 86 -6.035 -4.287 -4.242 1.00 0.32 C ATOM 242 CZ PHE A 86 -4.775 -3.881 -3.848 1.00 0.28 C ATOM 0 H PHE A 86 -4.956 -8.909 -2.537 1.00 0.24 H new ATOM 0 HA PHE A 86 -5.257 -9.890 -5.138 1.00 0.23 H new ATOM 0 HB2 PHE A 86 -4.805 -7.849 -6.453 1.00 0.26 H new ATOM 0 HB3 PHE A 86 -6.418 -7.900 -5.771 1.00 0.26 H new ATOM 0 HD1 PHE A 86 -3.050 -6.661 -4.628 1.00 0.27 H new ATOM 0 HD2 PHE A 86 -7.206 -5.859 -5.084 1.00 0.30 H new ATOM 0 HE1 PHE A 86 -2.718 -4.423 -3.681 1.00 0.30 H new ATOM 0 HE2 PHE A 86 -6.876 -3.619 -4.134 1.00 0.32 H new ATOM 0 HZ PHE A 86 -4.629 -2.895 -3.431 1.00 0.28 H new ATOM 252 N SER A 87 -2.688 -8.951 -5.508 1.00 0.22 N ATOM 253 CA SER A 87 -1.244 -8.806 -5.438 1.00 0.24 C ATOM 254 C SER A 87 -0.757 -7.896 -6.557 1.00 0.23 C ATOM 255 O SER A 87 -0.868 -8.235 -7.736 1.00 0.31 O ATOM 256 CB SER A 87 -0.568 -10.178 -5.508 1.00 0.34 C ATOM 257 OG SER A 87 -1.158 -10.989 -6.511 1.00 1.32 O ATOM 0 H SER A 87 -3.058 -9.026 -6.456 1.00 0.22 H new ATOM 0 HA SER A 87 -0.977 -8.349 -4.485 1.00 0.24 H new ATOM 0 HB2 SER A 87 0.495 -10.053 -5.716 1.00 0.34 H new ATOM 0 HB3 SER A 87 -0.647 -10.675 -4.541 1.00 0.34 H new ATOM 0 HG SER A 87 -1.328 -10.449 -7.311 1.00 1.32 H new ATOM 263 N ILE A 88 -0.243 -6.733 -6.184 1.00 0.18 N ATOM 264 CA ILE A 88 0.188 -5.740 -7.158 1.00 0.19 C ATOM 265 C ILE A 88 1.683 -5.493 -7.053 1.00 0.21 C ATOM 266 O ILE A 88 2.216 -5.301 -5.965 1.00 0.38 O ATOM 267 CB ILE A 88 -0.555 -4.398 -6.971 1.00 0.20 C ATOM 268 CG1 ILE A 88 -0.431 -3.915 -5.522 1.00 0.18 C ATOM 269 CG2 ILE A 88 -2.014 -4.536 -7.376 1.00 0.20 C ATOM 270 CD1 ILE A 88 -1.179 -2.633 -5.229 1.00 0.21 C ATOM 0 H ILE A 88 -0.114 -6.453 -5.212 1.00 0.18 H new ATOM 0 HA ILE A 88 -0.050 -6.141 -8.143 1.00 0.19 H new ATOM 0 HB ILE A 88 -0.094 -3.652 -7.618 1.00 0.20 H new ATOM 0 HG12 ILE A 88 -0.799 -4.697 -4.858 1.00 0.18 H new ATOM 0 HG13 ILE A 88 0.624 -3.768 -5.289 1.00 0.18 H new ATOM 0 HG21 ILE A 88 -2.522 -3.581 -7.238 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.074 -4.831 -8.424 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -2.493 -5.295 -6.757 1.00 0.20 H new ATOM 0 HD11 ILE A 88 -1.039 -2.361 -4.183 1.00 0.21 H new ATOM 0 HD12 ILE A 88 -0.797 -1.835 -5.865 1.00 0.21 H new ATOM 0 HD13 ILE A 88 -2.241 -2.778 -5.427 1.00 0.21 H new ATOM 282 N GLU A 89 2.359 -5.497 -8.182 1.00 0.21 N ATOM 283 CA GLU A 89 3.779 -5.220 -8.200 1.00 0.25 C ATOM 284 C GLU A 89 4.026 -3.821 -8.738 1.00 0.24 C ATOM 285 O GLU A 89 3.720 -3.522 -9.891 1.00 0.33 O ATOM 286 CB GLU A 89 4.511 -6.266 -9.042 1.00 0.30 C ATOM 287 CG GLU A 89 4.454 -7.660 -8.438 1.00 1.02 C ATOM 288 CD GLU A 89 5.161 -8.700 -9.280 1.00 1.07 C ATOM 289 OE1 GLU A 89 6.409 -8.655 -9.363 1.00 0.93 O ATOM 290 OE2 GLU A 89 4.478 -9.581 -9.841 1.00 1.45 O ATOM 0 H GLU A 89 1.950 -5.688 -9.096 1.00 0.21 H new ATOM 0 HA GLU A 89 4.167 -5.272 -7.183 1.00 0.25 H new ATOM 0 HB2 GLU A 89 4.075 -6.291 -10.041 1.00 0.30 H new ATOM 0 HB3 GLU A 89 5.553 -5.968 -9.156 1.00 0.30 H new ATOM 0 HG2 GLU A 89 4.903 -7.638 -7.445 1.00 1.02 H new ATOM 0 HG3 GLU A 89 3.412 -7.952 -8.310 1.00 1.02 H new ATOM 297 N HIS A 90 4.572 -2.962 -7.895 1.00 0.24 N ATOM 298 CA HIS A 90 4.832 -1.582 -8.270 1.00 0.28 C ATOM 299 C HIS A 90 6.277 -1.211 -7.970 1.00 0.33 C ATOM 300 O HIS A 90 6.780 -1.472 -6.879 1.00 0.44 O ATOM 301 CB HIS A 90 3.880 -0.624 -7.542 1.00 0.36 C ATOM 302 CG HIS A 90 2.471 -0.639 -8.062 1.00 1.10 C ATOM 303 ND1 HIS A 90 2.156 -0.819 -9.390 1.00 1.86 N ATOM 304 CD2 HIS A 90 1.291 -0.472 -7.420 1.00 1.51 C ATOM 305 CE1 HIS A 90 0.848 -0.762 -9.542 1.00 2.42 C ATOM 306 NE2 HIS A 90 0.295 -0.551 -8.363 1.00 2.20 N ATOM 0 H HIS A 90 4.845 -3.197 -6.941 1.00 0.24 H new ATOM 0 HA HIS A 90 4.659 -1.488 -9.342 1.00 0.28 H new ATOM 0 HB2 HIS A 90 3.867 -0.879 -6.482 1.00 0.36 H new ATOM 0 HB3 HIS A 90 4.273 0.390 -7.621 1.00 0.36 H new ATOM 0 HD2 HIS A 90 1.157 -0.307 -6.361 1.00 1.51 H new ATOM 0 HE1 HIS A 90 0.317 -0.870 -10.476 1.00 2.42 H new ATOM 0 HE2 HIS A 90 -0.705 -0.461 -8.182 1.00 2.20 H new ATOM 315 N ASP A 91 6.940 -0.617 -8.947 1.00 0.39 N ATOM 316 CA ASP A 91 8.337 -0.229 -8.797 1.00 0.47 C ATOM 317 C ASP A 91 8.441 1.274 -8.575 1.00 0.45 C ATOM 318 O ASP A 91 7.994 2.067 -9.409 1.00 0.54 O ATOM 319 CB ASP A 91 9.131 -0.639 -10.041 1.00 0.65 C ATOM 320 CG ASP A 91 10.631 -0.477 -9.872 1.00 1.18 C ATOM 321 OD1 ASP A 91 11.123 0.667 -9.980 1.00 1.83 O ATOM 322 OD2 ASP A 91 11.320 -1.484 -9.598 1.00 1.73 O ATOM 0 H ASP A 91 6.535 -0.391 -9.855 1.00 0.39 H new ATOM 0 HA ASP A 91 8.756 -0.740 -7.930 1.00 0.47 H new ATOM 0 HB2 ASP A 91 8.909 -1.679 -10.280 1.00 0.65 H new ATOM 0 HB3 ASP A 91 8.800 -0.040 -10.889 1.00 0.65 H new ATOM 327 N PHE A 92 9.015 1.664 -7.447 1.00 0.40 N ATOM 328 CA PHE A 92 9.151 3.072 -7.097 1.00 0.43 C ATOM 329 C PHE A 92 10.606 3.422 -6.822 1.00 0.43 C ATOM 330 O PHE A 92 11.408 2.555 -6.474 1.00 0.45 O ATOM 331 CB PHE A 92 8.291 3.413 -5.878 1.00 0.44 C ATOM 332 CG PHE A 92 6.824 3.534 -6.181 1.00 0.55 C ATOM 333 CD1 PHE A 92 6.303 4.700 -6.717 1.00 0.83 C ATOM 334 CD2 PHE A 92 5.966 2.472 -5.939 1.00 0.53 C ATOM 335 CE1 PHE A 92 4.955 4.805 -7.005 1.00 0.97 C ATOM 336 CE2 PHE A 92 4.618 2.571 -6.224 1.00 0.68 C ATOM 337 CZ PHE A 92 4.108 3.780 -6.724 1.00 0.85 C ATOM 0 H PHE A 92 9.397 1.021 -6.753 1.00 0.40 H new ATOM 0 HA PHE A 92 8.805 3.663 -7.945 1.00 0.43 H new ATOM 0 HB2 PHE A 92 8.433 2.643 -5.119 1.00 0.44 H new ATOM 0 HB3 PHE A 92 8.642 4.352 -5.449 1.00 0.44 H new ATOM 0 HD1 PHE A 92 6.957 5.537 -6.912 1.00 0.83 H new ATOM 0 HD2 PHE A 92 6.357 1.555 -5.522 1.00 0.53 H new ATOM 0 HE1 PHE A 92 4.572 5.708 -7.457 1.00 0.97 H new ATOM 0 HE2 PHE A 92 3.963 1.727 -6.064 1.00 0.68 H new ATOM 0 HZ PHE A 92 3.046 3.895 -6.885 1.00 0.85 H new ATOM 347 N SER A 93 10.937 4.694 -6.999 1.00 0.48 N ATOM 348 CA SER A 93 12.285 5.185 -6.768 1.00 0.49 C ATOM 349 C SER A 93 12.648 5.087 -5.287 1.00 0.42 C ATOM 350 O SER A 93 11.814 5.347 -4.419 1.00 0.42 O ATOM 351 CB SER A 93 12.386 6.636 -7.237 1.00 0.63 C ATOM 352 OG SER A 93 11.951 6.765 -8.581 1.00 0.81 O ATOM 0 H SER A 93 10.280 5.411 -7.306 1.00 0.48 H new ATOM 0 HA SER A 93 12.986 4.570 -7.333 1.00 0.49 H new ATOM 0 HB2 SER A 93 11.781 7.274 -6.592 1.00 0.63 H new ATOM 0 HB3 SER A 93 13.417 6.980 -7.150 1.00 0.63 H new ATOM 0 HG SER A 93 12.023 7.702 -8.860 1.00 0.81 H new ATOM 358 N PRO A 94 13.906 4.718 -4.985 1.00 0.46 N ATOM 359 CA PRO A 94 14.376 4.503 -3.608 1.00 0.51 C ATOM 360 C PRO A 94 14.308 5.750 -2.727 1.00 0.52 C ATOM 361 O PRO A 94 14.557 5.671 -1.532 1.00 0.73 O ATOM 362 CB PRO A 94 15.836 4.065 -3.778 1.00 0.71 C ATOM 363 CG PRO A 94 16.222 4.508 -5.147 1.00 0.67 C ATOM 364 CD PRO A 94 14.968 4.458 -5.971 1.00 0.57 C ATOM 0 HA PRO A 94 13.743 3.775 -3.101 1.00 0.51 H new ATOM 0 HB2 PRO A 94 16.474 4.522 -3.022 1.00 0.71 H new ATOM 0 HB3 PRO A 94 15.938 2.985 -3.671 1.00 0.71 H new ATOM 0 HG2 PRO A 94 16.636 5.516 -5.128 1.00 0.67 H new ATOM 0 HG3 PRO A 94 16.989 3.857 -5.565 1.00 0.67 H new ATOM 0 HD2 PRO A 94 14.976 5.208 -6.762 1.00 0.57 H new ATOM 0 HD3 PRO A 94 14.841 3.489 -6.453 1.00 0.57 H new ATOM 372 N SER A 95 13.989 6.898 -3.305 1.00 0.47 N ATOM 373 CA SER A 95 13.865 8.116 -2.518 1.00 0.51 C ATOM 374 C SER A 95 12.422 8.614 -2.477 1.00 0.44 C ATOM 375 O SER A 95 12.149 9.705 -1.972 1.00 0.49 O ATOM 376 CB SER A 95 14.773 9.207 -3.073 1.00 0.62 C ATOM 377 OG SER A 95 16.105 8.737 -3.217 1.00 0.89 O ATOM 0 H SER A 95 13.813 7.012 -4.303 1.00 0.47 H new ATOM 0 HA SER A 95 14.171 7.878 -1.499 1.00 0.51 H new ATOM 0 HB2 SER A 95 14.396 9.542 -4.039 1.00 0.62 H new ATOM 0 HB3 SER A 95 14.758 10.070 -2.408 1.00 0.62 H new ATOM 0 HG SER A 95 16.668 9.454 -3.576 1.00 0.89 H new ATOM 383 N ASP A 96 11.499 7.822 -3.004 1.00 0.36 N ATOM 384 CA ASP A 96 10.087 8.177 -2.953 1.00 0.33 C ATOM 385 C ASP A 96 9.504 7.799 -1.602 1.00 0.26 C ATOM 386 O ASP A 96 10.155 7.126 -0.800 1.00 0.24 O ATOM 387 CB ASP A 96 9.297 7.497 -4.077 1.00 0.35 C ATOM 388 CG ASP A 96 9.088 8.405 -5.275 1.00 0.80 C ATOM 389 OD1 ASP A 96 8.217 9.302 -5.207 1.00 1.23 O ATOM 390 OD2 ASP A 96 9.782 8.230 -6.297 1.00 1.37 O ATOM 0 H ASP A 96 11.699 6.936 -3.468 1.00 0.36 H new ATOM 0 HA ASP A 96 10.006 9.255 -3.092 1.00 0.33 H new ATOM 0 HB2 ASP A 96 9.825 6.598 -4.395 1.00 0.35 H new ATOM 0 HB3 ASP A 96 8.328 7.179 -3.694 1.00 0.35 H new ATOM 395 N THR A 97 8.289 8.247 -1.342 1.00 0.28 N ATOM 396 CA THR A 97 7.630 7.955 -0.084 1.00 0.22 C ATOM 397 C THR A 97 6.517 6.935 -0.272 1.00 0.19 C ATOM 398 O THR A 97 5.975 6.781 -1.369 1.00 0.23 O ATOM 399 CB THR A 97 7.031 9.231 0.540 1.00 0.25 C ATOM 400 OG1 THR A 97 6.174 9.886 -0.405 1.00 0.32 O ATOM 401 CG2 THR A 97 8.125 10.185 0.987 1.00 0.31 C ATOM 0 H THR A 97 7.739 8.815 -1.987 1.00 0.28 H new ATOM 0 HA THR A 97 8.388 7.546 0.584 1.00 0.22 H new ATOM 0 HB THR A 97 6.450 8.939 1.415 1.00 0.25 H new ATOM 0 HG1 THR A 97 6.710 10.467 -0.984 1.00 0.32 H new ATOM 0 HG21 THR A 97 7.674 11.076 1.423 1.00 0.31 H new ATOM 0 HG22 THR A 97 8.754 9.695 1.731 1.00 0.31 H new ATOM 0 HG23 THR A 97 8.733 10.469 0.128 1.00 0.31 H new ATOM 409 N ILE A 98 6.185 6.241 0.808 1.00 0.17 N ATOM 410 CA ILE A 98 5.039 5.345 0.831 1.00 0.18 C ATOM 411 C ILE A 98 3.761 6.123 0.517 1.00 0.18 C ATOM 412 O ILE A 98 2.789 5.568 0.010 1.00 0.20 O ATOM 413 CB ILE A 98 4.910 4.648 2.208 1.00 0.18 C ATOM 414 CG1 ILE A 98 6.104 3.725 2.460 1.00 0.19 C ATOM 415 CG2 ILE A 98 3.615 3.859 2.304 1.00 0.24 C ATOM 416 CD1 ILE A 98 6.217 2.591 1.463 1.00 0.22 C ATOM 0 H ILE A 98 6.700 6.283 1.688 1.00 0.17 H new ATOM 0 HA ILE A 98 5.189 4.578 0.071 1.00 0.18 H new ATOM 0 HB ILE A 98 4.897 5.425 2.972 1.00 0.18 H new ATOM 0 HG12 ILE A 98 7.020 4.315 2.432 1.00 0.19 H new ATOM 0 HG13 ILE A 98 6.024 3.308 3.464 1.00 0.19 H new ATOM 0 HG21 ILE A 98 3.552 3.381 3.281 1.00 0.24 H new ATOM 0 HG22 ILE A 98 2.768 4.533 2.174 1.00 0.24 H new ATOM 0 HG23 ILE A 98 3.595 3.097 1.525 1.00 0.24 H new ATOM 0 HD11 ILE A 98 7.086 1.979 1.705 1.00 0.22 H new ATOM 0 HD12 ILE A 98 5.317 1.977 1.507 1.00 0.22 H new ATOM 0 HD13 ILE A 98 6.329 2.999 0.459 1.00 0.22 H new ATOM 428 N LEU A 99 3.790 7.417 0.805 1.00 0.19 N ATOM 429 CA LEU A 99 2.675 8.308 0.515 1.00 0.21 C ATOM 430 C LEU A 99 2.370 8.313 -0.973 1.00 0.20 C ATOM 431 O LEU A 99 1.209 8.314 -1.375 1.00 0.21 O ATOM 432 CB LEU A 99 3.007 9.722 0.989 1.00 0.27 C ATOM 433 CG LEU A 99 1.916 10.770 0.762 1.00 0.36 C ATOM 434 CD1 LEU A 99 0.606 10.330 1.394 1.00 0.71 C ATOM 435 CD2 LEU A 99 2.350 12.107 1.333 1.00 0.64 C ATOM 0 H LEU A 99 4.586 7.878 1.246 1.00 0.19 H new ATOM 0 HA LEU A 99 1.793 7.950 1.046 1.00 0.21 H new ATOM 0 HB2 LEU A 99 3.233 9.685 2.055 1.00 0.27 H new ATOM 0 HB3 LEU A 99 3.914 10.052 0.482 1.00 0.27 H new ATOM 0 HG LEU A 99 1.759 10.877 -0.311 1.00 0.36 H new ATOM 0 HD11 LEU A 99 -0.155 11.090 1.220 1.00 0.71 H new ATOM 0 HD12 LEU A 99 0.286 9.388 0.949 1.00 0.71 H new ATOM 0 HD13 LEU A 99 0.746 10.196 2.467 1.00 0.71 H new ATOM 0 HD21 LEU A 99 1.566 12.846 1.166 1.00 0.64 H new ATOM 0 HD22 LEU A 99 2.530 12.004 2.403 1.00 0.64 H new ATOM 0 HD23 LEU A 99 3.266 12.433 0.841 1.00 0.64 H new ATOM 447 N GLN A 100 3.420 8.297 -1.780 1.00 0.20 N ATOM 448 CA GLN A 100 3.265 8.256 -3.229 1.00 0.21 C ATOM 449 C GLN A 100 2.544 6.981 -3.640 1.00 0.15 C ATOM 450 O GLN A 100 1.637 7.001 -4.472 1.00 0.13 O ATOM 451 CB GLN A 100 4.626 8.326 -3.924 1.00 0.29 C ATOM 452 CG GLN A 100 5.450 9.547 -3.555 1.00 0.39 C ATOM 453 CD GLN A 100 4.677 10.842 -3.687 1.00 0.45 C ATOM 454 OE1 GLN A 100 4.618 11.436 -4.762 1.00 0.70 O ATOM 455 NE2 GLN A 100 4.105 11.303 -2.587 1.00 0.53 N ATOM 0 H GLN A 100 4.388 8.312 -1.458 1.00 0.20 H new ATOM 0 HA GLN A 100 2.675 9.120 -3.534 1.00 0.21 H new ATOM 0 HB2 GLN A 100 5.194 7.429 -3.677 1.00 0.29 H new ATOM 0 HB3 GLN A 100 4.472 8.318 -5.003 1.00 0.29 H new ATOM 0 HG2 GLN A 100 5.803 9.444 -2.529 1.00 0.39 H new ATOM 0 HG3 GLN A 100 6.332 9.590 -4.193 1.00 0.39 H new ATOM 0 HE21 GLN A 100 4.178 10.778 -1.716 1.00 0.53 H new ATOM 0 HE22 GLN A 100 3.590 12.183 -2.610 1.00 0.53 H new ATOM 464 N ILE A 101 2.949 5.878 -3.025 1.00 0.13 N ATOM 465 CA ILE A 101 2.344 4.579 -3.284 1.00 0.12 C ATOM 466 C ILE A 101 0.887 4.571 -2.827 1.00 0.10 C ATOM 467 O ILE A 101 0.005 4.074 -3.524 1.00 0.11 O ATOM 468 CB ILE A 101 3.115 3.457 -2.552 1.00 0.15 C ATOM 469 CG1 ILE A 101 4.609 3.540 -2.884 1.00 0.17 C ATOM 470 CG2 ILE A 101 2.557 2.091 -2.929 1.00 0.20 C ATOM 471 CD1 ILE A 101 5.445 2.480 -2.201 1.00 0.21 C ATOM 0 H ILE A 101 3.701 5.858 -2.337 1.00 0.13 H new ATOM 0 HA ILE A 101 2.389 4.397 -4.358 1.00 0.12 H new ATOM 0 HB ILE A 101 2.989 3.591 -1.478 1.00 0.15 H new ATOM 0 HG12 ILE A 101 4.738 3.452 -3.963 1.00 0.17 H new ATOM 0 HG13 ILE A 101 4.981 4.524 -2.598 1.00 0.17 H new ATOM 0 HG21 ILE A 101 3.112 1.314 -2.404 1.00 0.20 H new ATOM 0 HG22 ILE A 101 1.505 2.038 -2.649 1.00 0.20 H new ATOM 0 HG23 ILE A 101 2.654 1.943 -4.004 1.00 0.20 H new ATOM 0 HD11 ILE A 101 6.490 2.603 -2.484 1.00 0.21 H new ATOM 0 HD12 ILE A 101 5.348 2.580 -1.120 1.00 0.21 H new ATOM 0 HD13 ILE A 101 5.100 1.492 -2.506 1.00 0.21 H new ATOM 483 N LYS A 102 0.650 5.147 -1.658 1.00 0.13 N ATOM 484 CA LYS A 102 -0.685 5.226 -1.085 1.00 0.17 C ATOM 485 C LYS A 102 -1.619 6.058 -1.956 1.00 0.15 C ATOM 486 O LYS A 102 -2.717 5.616 -2.296 1.00 0.17 O ATOM 487 CB LYS A 102 -0.608 5.801 0.327 1.00 0.28 C ATOM 488 CG LYS A 102 -0.119 4.793 1.349 1.00 0.50 C ATOM 489 CD LYS A 102 0.106 5.426 2.710 1.00 0.94 C ATOM 490 CE LYS A 102 -0.066 4.406 3.819 1.00 0.81 C ATOM 491 NZ LYS A 102 0.804 3.223 3.625 1.00 0.83 N ATOM 0 H LYS A 102 1.376 5.572 -1.081 1.00 0.13 H new ATOM 0 HA LYS A 102 -1.097 4.218 -1.038 1.00 0.17 H new ATOM 0 HB2 LYS A 102 0.059 6.663 0.327 1.00 0.28 H new ATOM 0 HB3 LYS A 102 -1.594 6.161 0.622 1.00 0.28 H new ATOM 0 HG2 LYS A 102 -0.847 3.987 1.440 1.00 0.50 H new ATOM 0 HG3 LYS A 102 0.811 4.345 1.000 1.00 0.50 H new ATOM 0 HD2 LYS A 102 1.108 5.852 2.755 1.00 0.94 H new ATOM 0 HD3 LYS A 102 -0.597 6.247 2.854 1.00 0.94 H new ATOM 0 HE2 LYS A 102 0.163 4.871 4.778 1.00 0.81 H new ATOM 0 HE3 LYS A 102 -1.108 4.087 3.860 1.00 0.81 H new ATOM 0 HZ1 LYS A 102 0.286 2.363 3.898 1.00 0.83 H new ATOM 0 HZ2 LYS A 102 1.083 3.157 2.625 1.00 0.83 H new ATOM 0 HZ3 LYS A 102 1.655 3.317 4.216 1.00 0.83 H new ATOM 505 N GLN A 103 -1.173 7.251 -2.332 1.00 0.14 N ATOM 506 CA GLN A 103 -1.931 8.107 -3.239 1.00 0.14 C ATOM 507 C GLN A 103 -2.151 7.409 -4.568 1.00 0.13 C ATOM 508 O GLN A 103 -3.122 7.675 -5.277 1.00 0.16 O ATOM 509 CB GLN A 103 -1.189 9.418 -3.477 1.00 0.17 C ATOM 510 CG GLN A 103 -1.218 10.359 -2.286 1.00 0.23 C ATOM 511 CD GLN A 103 -2.490 11.180 -2.229 1.00 0.33 C ATOM 512 OE1 GLN A 103 -3.506 10.656 -1.567 1.00 0.83 O flip ATOM 513 NE2 GLN A 103 -2.556 12.278 -2.777 1.00 0.45 N flip ATOM 0 H GLN A 103 -0.287 7.649 -2.022 1.00 0.14 H new ATOM 0 HA GLN A 103 -2.896 8.317 -2.779 1.00 0.14 H new ATOM 0 HB2 GLN A 103 -0.152 9.198 -3.730 1.00 0.17 H new ATOM 0 HB3 GLN A 103 -1.627 9.922 -4.338 1.00 0.17 H new ATOM 0 HG2 GLN A 103 -1.121 9.781 -1.367 1.00 0.23 H new ATOM 0 HG3 GLN A 103 -0.359 11.028 -2.334 1.00 0.23 H new ATOM 0 HE21 GLN A 103 -1.748 12.647 -3.279 1.00 0.45 H new ATOM 0 HE22 GLN A 103 -3.419 12.820 -2.730 1.00 0.45 H new ATOM 522 N HIS A 104 -1.253 6.494 -4.883 1.00 0.12 N ATOM 523 CA HIS A 104 -1.299 5.800 -6.158 1.00 0.12 C ATOM 524 C HIS A 104 -2.374 4.731 -6.117 1.00 0.12 C ATOM 525 O HIS A 104 -3.112 4.545 -7.078 1.00 0.18 O ATOM 526 CB HIS A 104 0.059 5.175 -6.499 1.00 0.14 C ATOM 527 CG HIS A 104 0.146 4.660 -7.904 1.00 0.22 C ATOM 528 ND1 HIS A 104 -0.280 3.500 -8.455 1.00 1.21 N flip ATOM 529 CD2 HIS A 104 0.728 5.373 -8.928 1.00 0.98 C flip ATOM 530 CE1 HIS A 104 0.046 3.535 -9.785 1.00 0.95 C flip ATOM 531 NE2 HIS A 104 0.653 4.677 -10.044 1.00 0.54 N flip ATOM 0 H HIS A 104 -0.484 6.214 -4.275 1.00 0.12 H new ATOM 0 HA HIS A 104 -1.537 6.524 -6.937 1.00 0.12 H new ATOM 0 HB2 HIS A 104 0.841 5.918 -6.344 1.00 0.14 H new ATOM 0 HB3 HIS A 104 0.257 4.356 -5.808 1.00 0.14 H new ATOM 0 HD1 HIS A 104 -0.756 2.740 -7.970 1.00 1.21 H new ATOM 0 HD2 HIS A 104 1.176 6.351 -8.831 1.00 0.98 H new ATOM 0 HE1 HIS A 104 -0.160 2.756 -10.504 1.00 0.95 H new ATOM 540 N LEU A 105 -2.469 4.046 -4.988 1.00 0.11 N ATOM 541 CA LEU A 105 -3.469 3.007 -4.817 1.00 0.12 C ATOM 542 C LEU A 105 -4.859 3.624 -4.729 1.00 0.13 C ATOM 543 O LEU A 105 -5.835 3.035 -5.180 1.00 0.18 O ATOM 544 CB LEU A 105 -3.160 2.163 -3.580 1.00 0.13 C ATOM 545 CG LEU A 105 -1.772 1.512 -3.580 1.00 0.14 C ATOM 546 CD1 LEU A 105 -1.627 0.538 -2.424 1.00 0.17 C ATOM 547 CD2 LEU A 105 -1.508 0.809 -4.903 1.00 0.18 C ATOM 0 H LEU A 105 -1.866 4.191 -4.178 1.00 0.11 H new ATOM 0 HA LEU A 105 -3.444 2.348 -5.685 1.00 0.12 H new ATOM 0 HB2 LEU A 105 -3.251 2.793 -2.695 1.00 0.13 H new ATOM 0 HB3 LEU A 105 -3.914 1.380 -3.493 1.00 0.13 H new ATOM 0 HG LEU A 105 -1.032 2.302 -3.454 1.00 0.14 H new ATOM 0 HD11 LEU A 105 -0.633 0.091 -2.448 1.00 0.17 H new ATOM 0 HD12 LEU A 105 -1.764 1.069 -1.482 1.00 0.17 H new ATOM 0 HD13 LEU A 105 -2.380 -0.245 -2.512 1.00 0.17 H new ATOM 0 HD21 LEU A 105 -0.518 0.354 -4.882 1.00 0.18 H new ATOM 0 HD22 LEU A 105 -2.260 0.035 -5.060 1.00 0.18 H new ATOM 0 HD23 LEU A 105 -1.557 1.533 -5.716 1.00 0.18 H new ATOM 559 N ILE A 106 -4.944 4.820 -4.161 1.00 0.11 N ATOM 560 CA ILE A 106 -6.185 5.585 -4.191 1.00 0.13 C ATOM 561 C ILE A 106 -6.526 5.946 -5.631 1.00 0.14 C ATOM 562 O ILE A 106 -7.677 5.844 -6.066 1.00 0.17 O ATOM 563 CB ILE A 106 -6.073 6.891 -3.377 1.00 0.13 C ATOM 564 CG1 ILE A 106 -5.655 6.593 -1.939 1.00 0.14 C ATOM 565 CG2 ILE A 106 -7.394 7.650 -3.397 1.00 0.16 C ATOM 566 CD1 ILE A 106 -5.382 7.837 -1.125 1.00 0.15 C ATOM 0 H ILE A 106 -4.173 5.280 -3.676 1.00 0.11 H new ATOM 0 HA ILE A 106 -6.964 4.963 -3.749 1.00 0.13 H new ATOM 0 HB ILE A 106 -5.308 7.516 -3.838 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -6.440 6.014 -1.452 1.00 0.14 H new ATOM 0 HG13 ILE A 106 -4.760 5.971 -1.950 1.00 0.14 H new ATOM 0 HG21 ILE A 106 -7.295 8.568 -2.818 1.00 0.16 H new ATOM 0 HG22 ILE A 106 -7.656 7.897 -4.426 1.00 0.16 H new ATOM 0 HG23 ILE A 106 -8.177 7.029 -2.962 1.00 0.16 H new ATOM 0 HD11 ILE A 106 -5.090 7.553 -0.114 1.00 0.15 H new ATOM 0 HD12 ILE A 106 -4.576 8.406 -1.589 1.00 0.15 H new ATOM 0 HD13 ILE A 106 -6.282 8.450 -1.084 1.00 0.15 H new ATOM 578 N SER A 107 -5.498 6.353 -6.360 1.00 0.13 N ATOM 579 CA SER A 107 -5.629 6.780 -7.741 1.00 0.17 C ATOM 580 C SER A 107 -6.102 5.632 -8.639 1.00 0.18 C ATOM 581 O SER A 107 -6.931 5.835 -9.526 1.00 0.27 O ATOM 582 CB SER A 107 -4.284 7.331 -8.228 1.00 0.23 C ATOM 583 OG SER A 107 -4.387 7.895 -9.527 1.00 0.61 O ATOM 0 H SER A 107 -4.543 6.396 -6.005 1.00 0.13 H new ATOM 0 HA SER A 107 -6.384 7.564 -7.796 1.00 0.17 H new ATOM 0 HB2 SER A 107 -3.927 8.088 -7.530 1.00 0.23 H new ATOM 0 HB3 SER A 107 -3.544 6.530 -8.236 1.00 0.23 H new ATOM 0 HG SER A 107 -3.512 8.238 -9.805 1.00 0.61 H new ATOM 589 N GLU A 108 -5.584 4.427 -8.404 1.00 0.16 N ATOM 590 CA GLU A 108 -5.963 3.270 -9.211 1.00 0.17 C ATOM 591 C GLU A 108 -7.095 2.474 -8.563 1.00 0.17 C ATOM 592 O GLU A 108 -7.288 1.291 -8.862 1.00 0.21 O ATOM 593 CB GLU A 108 -4.758 2.364 -9.482 1.00 0.20 C ATOM 594 CG GLU A 108 -4.046 1.879 -8.231 1.00 0.22 C ATOM 595 CD GLU A 108 -3.075 0.756 -8.523 1.00 0.28 C ATOM 596 OE1 GLU A 108 -3.507 -0.270 -9.091 1.00 0.35 O ATOM 597 OE2 GLU A 108 -1.880 0.891 -8.200 1.00 0.42 O ATOM 0 H GLU A 108 -4.907 4.228 -7.668 1.00 0.16 H new ATOM 0 HA GLU A 108 -6.327 3.652 -10.165 1.00 0.17 H new ATOM 0 HB2 GLU A 108 -5.091 1.499 -10.055 1.00 0.20 H new ATOM 0 HB3 GLU A 108 -4.045 2.904 -10.105 1.00 0.20 H new ATOM 0 HG2 GLU A 108 -3.509 2.711 -7.775 1.00 0.22 H new ATOM 0 HG3 GLU A 108 -4.784 1.539 -7.504 1.00 0.22 H new ATOM 604 N GLU A 109 -7.830 3.138 -7.671 1.00 0.16 N ATOM 605 CA GLU A 109 -9.027 2.570 -7.046 1.00 0.19 C ATOM 606 C GLU A 109 -8.743 1.234 -6.363 1.00 0.20 C ATOM 607 O GLU A 109 -9.493 0.271 -6.508 1.00 0.30 O ATOM 608 CB GLU A 109 -10.138 2.410 -8.082 1.00 0.24 C ATOM 609 CG GLU A 109 -10.569 3.724 -8.708 1.00 0.31 C ATOM 610 CD GLU A 109 -11.721 3.552 -9.671 1.00 1.02 C ATOM 611 OE1 GLU A 109 -12.887 3.639 -9.231 1.00 0.95 O ATOM 612 OE2 GLU A 109 -11.466 3.328 -10.873 1.00 1.86 O ATOM 0 H GLU A 109 -7.613 4.085 -7.361 1.00 0.16 H new ATOM 0 HA GLU A 109 -9.351 3.266 -6.273 1.00 0.19 H new ATOM 0 HB2 GLU A 109 -9.798 1.735 -8.868 1.00 0.24 H new ATOM 0 HB3 GLU A 109 -11.001 1.940 -7.610 1.00 0.24 H new ATOM 0 HG2 GLU A 109 -10.858 4.421 -7.921 1.00 0.31 H new ATOM 0 HG3 GLU A 109 -9.723 4.168 -9.233 1.00 0.31 H new ATOM 619 N LYS A 110 -7.649 1.183 -5.626 1.00 0.15 N ATOM 620 CA LYS A 110 -7.283 -0.004 -4.870 1.00 0.17 C ATOM 621 C LYS A 110 -7.511 0.231 -3.380 1.00 0.19 C ATOM 622 O LYS A 110 -7.423 -0.695 -2.567 1.00 0.27 O ATOM 623 CB LYS A 110 -5.816 -0.359 -5.125 1.00 0.21 C ATOM 624 CG LYS A 110 -5.519 -0.806 -6.547 1.00 0.23 C ATOM 625 CD LYS A 110 -6.286 -2.058 -6.930 1.00 0.23 C ATOM 626 CE LYS A 110 -5.872 -2.563 -8.305 1.00 0.36 C ATOM 627 NZ LYS A 110 -5.868 -1.480 -9.325 1.00 1.22 N ATOM 0 H LYS A 110 -6.991 1.957 -5.534 1.00 0.15 H new ATOM 0 HA LYS A 110 -7.909 -0.834 -5.196 1.00 0.17 H new ATOM 0 HB2 LYS A 110 -5.199 0.509 -4.893 1.00 0.21 H new ATOM 0 HB3 LYS A 110 -5.522 -1.152 -4.438 1.00 0.21 H new ATOM 0 HG2 LYS A 110 -5.772 -0.002 -7.238 1.00 0.23 H new ATOM 0 HG3 LYS A 110 -4.450 -0.992 -6.651 1.00 0.23 H new ATOM 0 HD2 LYS A 110 -6.111 -2.836 -6.187 1.00 0.23 H new ATOM 0 HD3 LYS A 110 -7.355 -1.847 -6.925 1.00 0.23 H new ATOM 0 HE2 LYS A 110 -4.878 -3.005 -8.243 1.00 0.36 H new ATOM 0 HE3 LYS A 110 -6.553 -3.354 -8.620 1.00 0.36 H new ATOM 0 HZ1 LYS A 110 -6.087 -1.882 -10.259 1.00 1.22 H new ATOM 0 HZ2 LYS A 110 -6.584 -0.768 -9.078 1.00 1.22 H new ATOM 0 HZ3 LYS A 110 -4.930 -1.032 -9.352 1.00 1.22 H new ATOM 641 N ALA A 111 -7.816 1.477 -3.037 1.00 0.16 N ATOM 642 CA ALA A 111 -7.997 1.874 -1.649 1.00 0.18 C ATOM 643 C ALA A 111 -8.957 3.051 -1.540 1.00 0.19 C ATOM 644 O ALA A 111 -9.448 3.557 -2.550 1.00 0.29 O ATOM 645 CB ALA A 111 -6.659 2.240 -1.033 1.00 0.20 C ATOM 0 H ALA A 111 -7.944 2.234 -3.709 1.00 0.16 H new ATOM 0 HA ALA A 111 -8.424 1.031 -1.107 1.00 0.18 H new ATOM 0 HB1 ALA A 111 -6.805 2.536 0.006 1.00 0.20 H new ATOM 0 HB2 ALA A 111 -5.992 1.379 -1.075 1.00 0.20 H new ATOM 0 HB3 ALA A 111 -6.218 3.068 -1.587 1.00 0.20 H new ATOM 651 N SER A 112 -9.214 3.484 -0.313 1.00 0.21 N ATOM 652 CA SER A 112 -10.086 4.623 -0.076 1.00 0.23 C ATOM 653 C SER A 112 -9.253 5.857 0.267 1.00 0.21 C ATOM 654 O SER A 112 -9.389 6.905 -0.364 1.00 0.26 O ATOM 655 CB SER A 112 -11.077 4.306 1.051 1.00 0.29 C ATOM 656 OG SER A 112 -12.067 5.313 1.172 1.00 1.23 O ATOM 0 H SER A 112 -8.830 3.063 0.533 1.00 0.21 H new ATOM 0 HA SER A 112 -10.654 4.831 -0.983 1.00 0.23 H new ATOM 0 HB2 SER A 112 -11.555 3.346 0.857 1.00 0.29 H new ATOM 0 HB3 SER A 112 -10.538 4.209 1.994 1.00 0.29 H new ATOM 0 HG SER A 112 -12.952 4.896 1.234 1.00 1.23 H new ATOM 662 N HIS A 113 -8.380 5.722 1.262 1.00 0.16 N ATOM 663 CA HIS A 113 -7.493 6.809 1.664 1.00 0.16 C ATOM 664 C HIS A 113 -6.084 6.271 1.893 1.00 0.14 C ATOM 665 O HIS A 113 -5.888 5.055 1.896 1.00 0.15 O ATOM 666 CB HIS A 113 -7.998 7.501 2.938 1.00 0.21 C ATOM 667 CG HIS A 113 -9.344 8.146 2.800 1.00 0.44 C ATOM 668 ND1 HIS A 113 -10.459 7.713 3.486 1.00 1.47 N ATOM 669 CD2 HIS A 113 -9.748 9.204 2.061 1.00 0.75 C ATOM 670 CE1 HIS A 113 -11.488 8.475 3.173 1.00 1.47 C ATOM 671 NE2 HIS A 113 -11.086 9.389 2.309 1.00 0.73 N ATOM 0 H HIS A 113 -8.268 4.867 1.806 1.00 0.16 H new ATOM 0 HA HIS A 113 -7.478 7.546 0.861 1.00 0.16 H new ATOM 0 HB2 HIS A 113 -8.041 6.767 3.743 1.00 0.21 H new ATOM 0 HB3 HIS A 113 -7.274 8.259 3.236 1.00 0.21 H new ATOM 0 HD2 HIS A 113 -9.132 9.794 1.398 1.00 0.75 H new ATOM 0 HE1 HIS A 113 -12.491 8.369 3.558 1.00 1.47 H new ATOM 0 HE2 HIS A 113 -11.673 10.113 1.894 1.00 0.73 H new ATOM 680 N ILE A 114 -5.115 7.163 2.092 1.00 0.15 N ATOM 681 CA ILE A 114 -3.716 6.758 2.223 1.00 0.17 C ATOM 682 C ILE A 114 -3.514 5.798 3.406 1.00 0.16 C ATOM 683 O ILE A 114 -2.968 4.710 3.242 1.00 0.26 O ATOM 684 CB ILE A 114 -2.769 7.984 2.366 1.00 0.18 C ATOM 685 CG1 ILE A 114 -3.160 8.873 3.555 1.00 0.18 C ATOM 686 CG2 ILE A 114 -2.760 8.791 1.078 1.00 0.22 C ATOM 687 CD1 ILE A 114 -2.323 10.127 3.686 1.00 0.23 C ATOM 0 H ILE A 114 -5.272 8.168 2.166 1.00 0.15 H new ATOM 0 HA ILE A 114 -3.458 6.233 1.303 1.00 0.17 H new ATOM 0 HB ILE A 114 -1.765 7.607 2.559 1.00 0.18 H new ATOM 0 HG12 ILE A 114 -4.208 9.156 3.455 1.00 0.18 H new ATOM 0 HG13 ILE A 114 -3.073 8.293 4.474 1.00 0.18 H new ATOM 0 HG21 ILE A 114 -2.094 9.647 1.189 1.00 0.22 H new ATOM 0 HG22 ILE A 114 -2.411 8.164 0.258 1.00 0.22 H new ATOM 0 HG23 ILE A 114 -3.769 9.142 0.862 1.00 0.22 H new ATOM 0 HD11 ILE A 114 -2.661 10.701 4.549 1.00 0.23 H new ATOM 0 HD12 ILE A 114 -1.276 9.854 3.819 1.00 0.23 H new ATOM 0 HD13 ILE A 114 -2.428 10.731 2.785 1.00 0.23 H new ATOM 699 N SER A 115 -3.999 6.183 4.582 1.00 0.14 N ATOM 700 CA SER A 115 -3.790 5.414 5.804 1.00 0.20 C ATOM 701 C SER A 115 -4.652 4.146 5.840 1.00 0.18 C ATOM 702 O SER A 115 -4.492 3.306 6.725 1.00 0.27 O ATOM 703 CB SER A 115 -4.082 6.291 7.026 1.00 0.29 C ATOM 704 OG SER A 115 -3.672 5.658 8.228 1.00 1.50 O ATOM 0 H SER A 115 -4.546 7.034 4.715 1.00 0.14 H new ATOM 0 HA SER A 115 -2.747 5.097 5.823 1.00 0.20 H new ATOM 0 HB2 SER A 115 -3.567 7.246 6.922 1.00 0.29 H new ATOM 0 HB3 SER A 115 -5.149 6.508 7.073 1.00 0.29 H new ATOM 0 HG SER A 115 -3.829 4.693 8.160 1.00 1.50 H new ATOM 710 N GLU A 116 -5.552 3.994 4.875 1.00 0.14 N ATOM 711 CA GLU A 116 -6.356 2.775 4.776 1.00 0.13 C ATOM 712 C GLU A 116 -5.541 1.682 4.094 1.00 0.11 C ATOM 713 O GLU A 116 -6.030 0.575 3.824 1.00 0.15 O ATOM 714 CB GLU A 116 -7.650 3.042 4.007 1.00 0.20 C ATOM 715 CG GLU A 116 -8.517 4.117 4.642 1.00 0.36 C ATOM 716 CD GLU A 116 -8.832 3.830 6.096 1.00 0.47 C ATOM 717 OE1 GLU A 116 -9.613 2.897 6.368 1.00 0.53 O ATOM 718 OE2 GLU A 116 -8.302 4.542 6.977 1.00 0.80 O ATOM 0 H GLU A 116 -5.744 4.690 4.155 1.00 0.14 H new ATOM 0 HA GLU A 116 -6.626 2.445 5.779 1.00 0.13 H new ATOM 0 HB2 GLU A 116 -7.404 3.339 2.988 1.00 0.20 H new ATOM 0 HB3 GLU A 116 -8.222 2.117 3.940 1.00 0.20 H new ATOM 0 HG2 GLU A 116 -8.009 5.079 4.567 1.00 0.36 H new ATOM 0 HG3 GLU A 116 -9.449 4.204 4.083 1.00 0.36 H new ATOM 725 N ILE A 117 -4.293 2.034 3.819 1.00 0.11 N ATOM 726 CA ILE A 117 -3.318 1.145 3.226 1.00 0.12 C ATOM 727 C ILE A 117 -2.204 0.872 4.227 1.00 0.16 C ATOM 728 O ILE A 117 -1.367 1.738 4.483 1.00 0.26 O ATOM 729 CB ILE A 117 -2.704 1.791 1.970 1.00 0.12 C ATOM 730 CG1 ILE A 117 -3.801 2.151 0.969 1.00 0.12 C ATOM 731 CG2 ILE A 117 -1.670 0.872 1.335 1.00 0.16 C ATOM 732 CD1 ILE A 117 -3.344 3.099 -0.114 1.00 0.14 C ATOM 0 H ILE A 117 -3.927 2.967 4.008 1.00 0.11 H new ATOM 0 HA ILE A 117 -3.815 0.214 2.952 1.00 0.12 H new ATOM 0 HB ILE A 117 -2.195 2.707 2.269 1.00 0.12 H new ATOM 0 HG12 ILE A 117 -4.174 1.237 0.507 1.00 0.12 H new ATOM 0 HG13 ILE A 117 -4.637 2.601 1.505 1.00 0.12 H new ATOM 0 HG21 ILE A 117 -1.252 1.352 0.450 1.00 0.16 H new ATOM 0 HG22 ILE A 117 -0.873 0.672 2.051 1.00 0.16 H new ATOM 0 HG23 ILE A 117 -2.144 -0.067 1.049 1.00 0.16 H new ATOM 0 HD11 ILE A 117 -4.175 3.310 -0.787 1.00 0.14 H new ATOM 0 HD12 ILE A 117 -2.999 4.029 0.338 1.00 0.14 H new ATOM 0 HD13 ILE A 117 -2.528 2.644 -0.676 1.00 0.14 H new ATOM 744 N LYS A 118 -2.185 -0.315 4.799 1.00 0.20 N ATOM 745 CA LYS A 118 -1.155 -0.657 5.762 1.00 0.26 C ATOM 746 C LYS A 118 -0.061 -1.452 5.064 1.00 0.17 C ATOM 747 O LYS A 118 -0.284 -2.573 4.634 1.00 0.19 O ATOM 748 CB LYS A 118 -1.767 -1.491 6.895 1.00 0.41 C ATOM 749 CG LYS A 118 -1.221 -1.202 8.293 1.00 0.53 C ATOM 750 CD LYS A 118 0.239 -1.600 8.457 1.00 0.35 C ATOM 751 CE LYS A 118 1.168 -0.413 8.278 1.00 0.71 C ATOM 752 NZ LYS A 118 0.884 0.670 9.260 1.00 1.01 N ATOM 0 H LYS A 118 -2.864 -1.054 4.617 1.00 0.20 H new ATOM 0 HA LYS A 118 -0.728 0.253 6.183 1.00 0.26 H new ATOM 0 HB2 LYS A 118 -2.844 -1.326 6.903 1.00 0.41 H new ATOM 0 HB3 LYS A 118 -1.608 -2.546 6.673 1.00 0.41 H new ATOM 0 HG2 LYS A 118 -1.328 -0.138 8.506 1.00 0.53 H new ATOM 0 HG3 LYS A 118 -1.822 -1.736 9.029 1.00 0.53 H new ATOM 0 HD2 LYS A 118 0.389 -2.034 9.446 1.00 0.35 H new ATOM 0 HD3 LYS A 118 0.490 -2.372 7.729 1.00 0.35 H new ATOM 0 HE2 LYS A 118 2.201 -0.741 8.389 1.00 0.71 H new ATOM 0 HE3 LYS A 118 1.065 -0.021 7.266 1.00 0.71 H new ATOM 0 HZ1 LYS A 118 1.708 1.301 9.329 1.00 1.01 H new ATOM 0 HZ2 LYS A 118 0.056 1.215 8.946 1.00 1.01 H new ATOM 0 HZ3 LYS A 118 0.690 0.251 10.192 1.00 1.01 H new ATOM 766 N LEU A 119 1.117 -0.872 4.954 1.00 0.20 N ATOM 767 CA LEU A 119 2.237 -1.562 4.341 1.00 0.19 C ATOM 768 C LEU A 119 3.207 -2.039 5.407 1.00 0.17 C ATOM 769 O LEU A 119 3.591 -1.278 6.297 1.00 0.19 O ATOM 770 CB LEU A 119 2.946 -0.664 3.317 1.00 0.27 C ATOM 771 CG LEU A 119 2.306 -0.627 1.924 1.00 0.26 C ATOM 772 CD1 LEU A 119 3.020 0.368 1.019 1.00 0.69 C ATOM 773 CD2 LEU A 119 2.341 -2.007 1.299 1.00 0.73 C ATOM 0 H LEU A 119 1.325 0.072 5.279 1.00 0.20 H new ATOM 0 HA LEU A 119 1.854 -2.432 3.808 1.00 0.19 H new ATOM 0 HB2 LEU A 119 2.979 0.352 3.711 1.00 0.27 H new ATOM 0 HB3 LEU A 119 3.978 -1.001 3.216 1.00 0.27 H new ATOM 0 HG LEU A 119 1.270 -0.306 2.036 1.00 0.26 H new ATOM 0 HD11 LEU A 119 2.545 0.373 0.038 1.00 0.69 H new ATOM 0 HD12 LEU A 119 2.961 1.365 1.456 1.00 0.69 H new ATOM 0 HD13 LEU A 119 4.066 0.079 0.914 1.00 0.69 H new ATOM 0 HD21 LEU A 119 1.884 -1.970 0.310 1.00 0.73 H new ATOM 0 HD22 LEU A 119 3.375 -2.339 1.209 1.00 0.73 H new ATOM 0 HD23 LEU A 119 1.789 -2.705 1.928 1.00 0.73 H new ATOM 785 N LEU A 120 3.560 -3.311 5.337 1.00 0.16 N ATOM 786 CA LEU A 120 4.504 -3.894 6.270 1.00 0.15 C ATOM 787 C LEU A 120 5.609 -4.601 5.503 1.00 0.18 C ATOM 788 O LEU A 120 5.343 -5.343 4.555 1.00 0.23 O ATOM 789 CB LEU A 120 3.814 -4.888 7.218 1.00 0.17 C ATOM 790 CG LEU A 120 2.542 -4.383 7.908 1.00 0.18 C ATOM 791 CD1 LEU A 120 1.313 -4.670 7.055 1.00 0.21 C ATOM 792 CD2 LEU A 120 2.393 -5.009 9.284 1.00 0.22 C ATOM 0 H LEU A 120 3.203 -3.962 4.638 1.00 0.16 H new ATOM 0 HA LEU A 120 4.927 -3.090 6.872 1.00 0.15 H new ATOM 0 HB2 LEU A 120 3.565 -5.786 6.653 1.00 0.17 H new ATOM 0 HB3 LEU A 120 4.528 -5.183 7.987 1.00 0.17 H new ATOM 0 HG LEU A 120 2.629 -3.303 8.029 1.00 0.18 H new ATOM 0 HD11 LEU A 120 0.422 -4.303 7.565 1.00 0.21 H new ATOM 0 HD12 LEU A 120 1.413 -4.168 6.092 1.00 0.21 H new ATOM 0 HD13 LEU A 120 1.223 -5.745 6.896 1.00 0.21 H new ATOM 0 HD21 LEU A 120 1.484 -4.637 9.756 1.00 0.22 H new ATOM 0 HD22 LEU A 120 2.334 -6.093 9.186 1.00 0.22 H new ATOM 0 HD23 LEU A 120 3.254 -4.747 9.898 1.00 0.22 H new ATOM 804 N LEU A 121 6.841 -4.374 5.919 1.00 0.19 N ATOM 805 CA LEU A 121 7.989 -4.979 5.268 1.00 0.25 C ATOM 806 C LEU A 121 8.643 -5.946 6.240 1.00 0.33 C ATOM 807 O LEU A 121 9.324 -5.529 7.177 1.00 0.37 O ATOM 808 CB LEU A 121 8.984 -3.891 4.835 1.00 0.29 C ATOM 809 CG LEU A 121 9.900 -4.238 3.649 1.00 0.53 C ATOM 810 CD1 LEU A 121 10.742 -3.033 3.271 1.00 1.36 C ATOM 811 CD2 LEU A 121 10.802 -5.424 3.961 1.00 1.18 C ATOM 0 H LEU A 121 7.073 -3.772 6.709 1.00 0.19 H new ATOM 0 HA LEU A 121 7.671 -5.519 4.376 1.00 0.25 H new ATOM 0 HB2 LEU A 121 8.420 -2.993 4.581 1.00 0.29 H new ATOM 0 HB3 LEU A 121 9.612 -3.641 5.690 1.00 0.29 H new ATOM 0 HG LEU A 121 9.263 -4.516 2.809 1.00 0.53 H new ATOM 0 HD11 LEU A 121 11.387 -3.289 2.430 1.00 1.36 H new ATOM 0 HD12 LEU A 121 10.089 -2.207 2.989 1.00 1.36 H new ATOM 0 HD13 LEU A 121 11.355 -2.736 4.122 1.00 1.36 H new ATOM 0 HD21 LEU A 121 11.433 -5.638 3.099 1.00 1.18 H new ATOM 0 HD22 LEU A 121 11.429 -5.188 4.820 1.00 1.18 H new ATOM 0 HD23 LEU A 121 10.190 -6.297 4.188 1.00 1.18 H new ATOM 823 N LYS A 122 8.391 -7.236 6.031 1.00 0.43 N ATOM 824 CA LYS A 122 8.930 -8.285 6.896 1.00 0.54 C ATOM 825 C LYS A 122 8.390 -8.114 8.318 1.00 0.44 C ATOM 826 O LYS A 122 9.065 -8.408 9.306 1.00 0.52 O ATOM 827 CB LYS A 122 10.464 -8.246 6.871 1.00 0.71 C ATOM 828 CG LYS A 122 11.132 -9.472 7.469 1.00 1.20 C ATOM 829 CD LYS A 122 12.641 -9.379 7.347 1.00 1.39 C ATOM 830 CE LYS A 122 13.322 -10.612 7.910 1.00 2.05 C ATOM 831 NZ LYS A 122 14.796 -10.546 7.746 1.00 2.47 N ATOM 0 H LYS A 122 7.813 -7.582 5.265 1.00 0.43 H new ATOM 0 HA LYS A 122 8.612 -9.261 6.529 1.00 0.54 H new ATOM 0 HB2 LYS A 122 10.796 -8.133 5.839 1.00 0.71 H new ATOM 0 HB3 LYS A 122 10.802 -7.362 7.413 1.00 0.71 H new ATOM 0 HG2 LYS A 122 10.853 -9.568 8.518 1.00 1.20 H new ATOM 0 HG3 LYS A 122 10.777 -10.369 6.962 1.00 1.20 H new ATOM 0 HD2 LYS A 122 12.915 -9.257 6.299 1.00 1.39 H new ATOM 0 HD3 LYS A 122 12.996 -8.494 7.874 1.00 1.39 H new ATOM 0 HE2 LYS A 122 13.077 -10.712 8.967 1.00 2.05 H new ATOM 0 HE3 LYS A 122 12.939 -11.501 7.408 1.00 2.05 H new ATOM 0 HZ1 LYS A 122 15.228 -11.405 8.142 1.00 2.47 H new ATOM 0 HZ2 LYS A 122 15.030 -10.475 6.735 1.00 2.47 H new ATOM 0 HZ3 LYS A 122 15.164 -9.711 8.246 1.00 2.47 H new ATOM 845 N GLY A 123 7.163 -7.619 8.408 1.00 0.36 N ATOM 846 CA GLY A 123 6.533 -7.406 9.697 1.00 0.39 C ATOM 847 C GLY A 123 6.688 -5.983 10.192 1.00 0.35 C ATOM 848 O GLY A 123 5.941 -5.539 11.066 1.00 0.47 O ATOM 0 H GLY A 123 6.589 -7.359 7.606 1.00 0.36 H new ATOM 0 HA2 GLY A 123 5.473 -7.648 9.624 1.00 0.39 H new ATOM 0 HA3 GLY A 123 6.966 -8.090 10.427 1.00 0.39 H new ATOM 852 N LYS A 124 7.652 -5.263 9.632 1.00 0.26 N ATOM 853 CA LYS A 124 7.932 -3.897 10.052 1.00 0.29 C ATOM 854 C LYS A 124 6.848 -2.945 9.553 1.00 0.23 C ATOM 855 O LYS A 124 6.565 -2.890 8.355 1.00 0.21 O ATOM 856 CB LYS A 124 9.306 -3.457 9.528 1.00 0.37 C ATOM 857 CG LYS A 124 9.757 -2.091 10.030 1.00 0.46 C ATOM 858 CD LYS A 124 9.864 -2.051 11.548 1.00 0.53 C ATOM 859 CE LYS A 124 10.899 -3.037 12.078 1.00 1.36 C ATOM 860 NZ LYS A 124 12.263 -2.761 11.553 1.00 1.94 N ATOM 0 H LYS A 124 8.255 -5.604 8.883 1.00 0.26 H new ATOM 0 HA LYS A 124 7.940 -3.865 11.142 1.00 0.29 H new ATOM 0 HB2 LYS A 124 10.048 -4.201 9.817 1.00 0.37 H new ATOM 0 HB3 LYS A 124 9.279 -3.441 8.438 1.00 0.37 H new ATOM 0 HG2 LYS A 124 10.724 -1.844 9.591 1.00 0.46 H new ATOM 0 HG3 LYS A 124 9.052 -1.330 9.696 1.00 0.46 H new ATOM 0 HD2 LYS A 124 10.129 -1.043 11.865 1.00 0.53 H new ATOM 0 HD3 LYS A 124 8.892 -2.277 11.985 1.00 0.53 H new ATOM 0 HE2 LYS A 124 10.915 -2.993 13.167 1.00 1.36 H new ATOM 0 HE3 LYS A 124 10.605 -4.050 11.805 1.00 1.36 H new ATOM 0 HZ1 LYS A 124 12.956 -3.342 12.066 1.00 1.94 H new ATOM 0 HZ2 LYS A 124 12.298 -2.993 10.540 1.00 1.94 H new ATOM 0 HZ3 LYS A 124 12.489 -1.755 11.686 1.00 1.94 H new ATOM 874 N VAL A 125 6.238 -2.217 10.480 1.00 0.24 N ATOM 875 CA VAL A 125 5.206 -1.247 10.141 1.00 0.21 C ATOM 876 C VAL A 125 5.795 -0.059 9.396 1.00 0.22 C ATOM 877 O VAL A 125 6.702 0.613 9.887 1.00 0.30 O ATOM 878 CB VAL A 125 4.465 -0.737 11.399 1.00 0.24 C ATOM 879 CG1 VAL A 125 3.574 0.459 11.070 1.00 0.26 C ATOM 880 CG2 VAL A 125 3.646 -1.861 12.017 1.00 0.27 C ATOM 0 H VAL A 125 6.442 -2.281 11.477 1.00 0.24 H new ATOM 0 HA VAL A 125 4.493 -1.762 9.497 1.00 0.21 H new ATOM 0 HB VAL A 125 5.211 -0.406 12.122 1.00 0.24 H new ATOM 0 HG11 VAL A 125 3.067 0.794 11.975 1.00 0.26 H new ATOM 0 HG12 VAL A 125 4.185 1.270 10.675 1.00 0.26 H new ATOM 0 HG13 VAL A 125 2.833 0.167 10.326 1.00 0.26 H new ATOM 0 HG21 VAL A 125 3.129 -1.490 12.902 1.00 0.27 H new ATOM 0 HG22 VAL A 125 2.915 -2.219 11.293 1.00 0.27 H new ATOM 0 HG23 VAL A 125 4.307 -2.680 12.300 1.00 0.27 H new ATOM 890 N LEU A 126 5.288 0.178 8.199 1.00 0.20 N ATOM 891 CA LEU A 126 5.657 1.355 7.440 1.00 0.22 C ATOM 892 C LEU A 126 4.598 2.426 7.655 1.00 0.24 C ATOM 893 O LEU A 126 3.405 2.123 7.710 1.00 0.31 O ATOM 894 CB LEU A 126 5.779 1.016 5.952 1.00 0.22 C ATOM 895 CG LEU A 126 6.603 -0.237 5.633 1.00 0.22 C ATOM 896 CD1 LEU A 126 6.803 -0.377 4.134 1.00 0.30 C ATOM 897 CD2 LEU A 126 7.942 -0.203 6.355 1.00 0.23 C ATOM 0 H LEU A 126 4.617 -0.433 7.732 1.00 0.20 H new ATOM 0 HA LEU A 126 6.625 1.722 7.781 1.00 0.22 H new ATOM 0 HB2 LEU A 126 4.777 0.887 5.542 1.00 0.22 H new ATOM 0 HB3 LEU A 126 6.227 1.866 5.438 1.00 0.22 H new ATOM 0 HG LEU A 126 6.051 -1.107 5.988 1.00 0.22 H new ATOM 0 HD11 LEU A 126 7.390 -1.272 3.927 1.00 0.30 H new ATOM 0 HD12 LEU A 126 5.833 -0.458 3.643 1.00 0.30 H new ATOM 0 HD13 LEU A 126 7.330 0.498 3.754 1.00 0.30 H new ATOM 0 HD21 LEU A 126 8.509 -1.102 6.113 1.00 0.23 H new ATOM 0 HD22 LEU A 126 8.504 0.676 6.039 1.00 0.23 H new ATOM 0 HD23 LEU A 126 7.774 -0.158 7.431 1.00 0.23 H new ATOM 909 N HIS A 127 5.030 3.669 7.798 1.00 0.24 N ATOM 910 CA HIS A 127 4.108 4.767 8.059 1.00 0.25 C ATOM 911 C HIS A 127 3.556 5.306 6.747 1.00 0.22 C ATOM 912 O HIS A 127 3.932 4.835 5.673 1.00 0.28 O ATOM 913 CB HIS A 127 4.823 5.872 8.843 1.00 0.28 C ATOM 914 CG HIS A 127 3.931 6.846 9.558 1.00 0.74 C ATOM 915 ND1 HIS A 127 4.207 8.192 9.640 1.00 1.35 N ATOM 916 CD2 HIS A 127 2.800 6.654 10.278 1.00 1.31 C ATOM 917 CE1 HIS A 127 3.291 8.784 10.377 1.00 1.67 C ATOM 918 NE2 HIS A 127 2.423 7.875 10.779 1.00 1.62 N ATOM 0 H HIS A 127 6.010 3.944 7.738 1.00 0.24 H new ATOM 0 HA HIS A 127 3.274 4.402 8.658 1.00 0.25 H new ATOM 0 HB2 HIS A 127 5.481 5.405 9.576 1.00 0.28 H new ATOM 0 HB3 HIS A 127 5.458 6.428 8.154 1.00 0.28 H new ATOM 0 HD2 HIS A 127 2.289 5.714 10.430 1.00 1.31 H new ATOM 0 HE1 HIS A 127 3.256 9.837 10.613 1.00 1.67 H new ATOM 0 HE2 HIS A 127 1.607 8.051 11.365 1.00 1.62 H new ATOM 927 N ASP A 128 2.674 6.282 6.831 1.00 0.24 N ATOM 928 CA ASP A 128 2.038 6.841 5.632 1.00 0.25 C ATOM 929 C ASP A 128 3.069 7.460 4.687 1.00 0.20 C ATOM 930 O ASP A 128 3.021 7.220 3.486 1.00 0.22 O ATOM 931 CB ASP A 128 0.949 7.869 5.978 1.00 0.32 C ATOM 932 CG ASP A 128 1.463 9.057 6.758 1.00 0.35 C ATOM 933 OD1 ASP A 128 1.576 8.944 7.992 1.00 0.45 O ATOM 934 OD2 ASP A 128 1.746 10.105 6.144 1.00 0.42 O ATOM 0 H ASP A 128 2.376 6.710 7.708 1.00 0.24 H new ATOM 0 HA ASP A 128 1.558 6.007 5.121 1.00 0.25 H new ATOM 0 HB2 ASP A 128 0.489 8.223 5.055 1.00 0.32 H new ATOM 0 HB3 ASP A 128 0.167 7.377 6.556 1.00 0.32 H new ATOM 939 N ASN A 129 4.017 8.220 5.227 1.00 0.19 N ATOM 940 CA ASN A 129 4.966 8.953 4.385 1.00 0.19 C ATOM 941 C ASN A 129 6.403 8.459 4.563 1.00 0.17 C ATOM 942 O ASN A 129 7.352 9.214 4.361 1.00 0.22 O ATOM 943 CB ASN A 129 4.886 10.463 4.661 1.00 0.28 C ATOM 944 CG ASN A 129 5.232 10.833 6.095 1.00 1.11 C ATOM 945 OD1 ASN A 129 6.391 11.090 6.423 1.00 1.91 O ATOM 946 ND2 ASN A 129 4.229 10.875 6.958 1.00 1.48 N ATOM 0 H ASN A 129 4.151 8.346 6.230 1.00 0.19 H new ATOM 0 HA ASN A 129 4.681 8.764 3.350 1.00 0.19 H new ATOM 0 HB2 ASN A 129 5.563 10.985 3.985 1.00 0.28 H new ATOM 0 HB3 ASN A 129 3.879 10.813 4.436 1.00 0.28 H new ATOM 0 HD21 ASN A 129 4.404 11.127 7.931 1.00 1.48 H new ATOM 0 HD22 ASN A 129 3.282 10.656 6.650 1.00 1.48 H new ATOM 953 N LEU A 130 6.562 7.190 4.925 1.00 0.15 N ATOM 954 CA LEU A 130 7.895 6.616 5.119 1.00 0.19 C ATOM 955 C LEU A 130 8.666 6.614 3.796 1.00 0.15 C ATOM 956 O LEU A 130 8.137 6.210 2.763 1.00 0.14 O ATOM 957 CB LEU A 130 7.790 5.189 5.674 1.00 0.25 C ATOM 958 CG LEU A 130 8.821 4.809 6.751 1.00 0.33 C ATOM 959 CD1 LEU A 130 10.246 4.959 6.241 1.00 0.33 C ATOM 960 CD2 LEU A 130 8.622 5.648 8.004 1.00 0.39 C ATOM 0 H LEU A 130 5.792 6.541 5.090 1.00 0.15 H new ATOM 0 HA LEU A 130 8.435 7.229 5.841 1.00 0.19 H new ATOM 0 HB2 LEU A 130 6.792 5.055 6.091 1.00 0.25 H new ATOM 0 HB3 LEU A 130 7.886 4.489 4.844 1.00 0.25 H new ATOM 0 HG LEU A 130 8.662 3.759 6.998 1.00 0.33 H new ATOM 0 HD11 LEU A 130 10.946 4.682 7.029 1.00 0.33 H new ATOM 0 HD12 LEU A 130 10.394 4.309 5.379 1.00 0.33 H new ATOM 0 HD13 LEU A 130 10.421 5.994 5.949 1.00 0.33 H new ATOM 0 HD21 LEU A 130 9.361 5.364 8.753 1.00 0.39 H new ATOM 0 HD22 LEU A 130 8.742 6.703 7.758 1.00 0.39 H new ATOM 0 HD23 LEU A 130 7.621 5.479 8.400 1.00 0.39 H new ATOM 972 N PHE A 131 9.906 7.084 3.837 1.00 0.19 N ATOM 973 CA PHE A 131 10.753 7.141 2.651 1.00 0.19 C ATOM 974 C PHE A 131 11.330 5.765 2.335 1.00 0.19 C ATOM 975 O PHE A 131 11.763 5.037 3.232 1.00 0.21 O ATOM 976 CB PHE A 131 11.892 8.142 2.859 1.00 0.22 C ATOM 977 CG PHE A 131 11.436 9.569 2.991 1.00 0.28 C ATOM 978 CD1 PHE A 131 10.884 10.031 4.177 1.00 0.38 C ATOM 979 CD2 PHE A 131 11.565 10.449 1.929 1.00 0.35 C ATOM 980 CE1 PHE A 131 10.470 11.343 4.299 1.00 0.47 C ATOM 981 CE2 PHE A 131 11.151 11.763 2.047 1.00 0.44 C ATOM 982 CZ PHE A 131 10.603 12.210 3.233 1.00 0.47 C ATOM 0 H PHE A 131 10.351 7.434 4.686 1.00 0.19 H new ATOM 0 HA PHE A 131 10.139 7.466 1.811 1.00 0.19 H new ATOM 0 HB2 PHE A 131 12.447 7.864 3.755 1.00 0.22 H new ATOM 0 HB3 PHE A 131 12.584 8.069 2.020 1.00 0.22 H new ATOM 0 HD1 PHE A 131 10.777 9.357 5.014 1.00 0.38 H new ATOM 0 HD2 PHE A 131 11.993 10.105 0.999 1.00 0.35 H new ATOM 0 HE1 PHE A 131 10.042 11.690 5.228 1.00 0.47 H new ATOM 0 HE2 PHE A 131 11.256 12.440 1.212 1.00 0.44 H new ATOM 0 HZ PHE A 131 10.279 13.236 3.326 1.00 0.47 H new ATOM 992 N LEU A 132 11.353 5.426 1.050 1.00 0.19 N ATOM 993 CA LEU A 132 11.824 4.123 0.596 1.00 0.21 C ATOM 994 C LEU A 132 13.316 3.950 0.842 1.00 0.23 C ATOM 995 O LEU A 132 13.834 2.833 0.793 1.00 0.26 O ATOM 996 CB LEU A 132 11.505 3.923 -0.889 1.00 0.23 C ATOM 997 CG LEU A 132 10.138 3.298 -1.191 1.00 0.21 C ATOM 998 CD1 LEU A 132 9.001 4.146 -0.638 1.00 0.16 C ATOM 999 CD2 LEU A 132 9.965 3.098 -2.686 1.00 0.28 C ATOM 0 H LEU A 132 11.047 6.043 0.298 1.00 0.19 H new ATOM 0 HA LEU A 132 11.299 3.364 1.176 1.00 0.21 H new ATOM 0 HB2 LEU A 132 11.561 4.890 -1.388 1.00 0.23 H new ATOM 0 HB3 LEU A 132 12.278 3.292 -1.327 1.00 0.23 H new ATOM 0 HG LEU A 132 10.102 2.327 -0.696 1.00 0.21 H new ATOM 0 HD11 LEU A 132 8.047 3.672 -0.871 1.00 0.16 H new ATOM 0 HD12 LEU A 132 9.107 4.236 0.443 1.00 0.16 H new ATOM 0 HD13 LEU A 132 9.034 5.137 -1.090 1.00 0.16 H new ATOM 0 HD21 LEU A 132 8.989 2.653 -2.883 1.00 0.28 H new ATOM 0 HD22 LEU A 132 10.034 4.061 -3.192 1.00 0.28 H new ATOM 0 HD23 LEU A 132 10.747 2.436 -3.057 1.00 0.28 H new ATOM 1011 N SER A 133 13.997 5.055 1.110 1.00 0.24 N ATOM 1012 CA SER A 133 15.426 5.034 1.376 1.00 0.28 C ATOM 1013 C SER A 133 15.718 4.370 2.719 1.00 0.32 C ATOM 1014 O SER A 133 16.807 3.841 2.943 1.00 0.39 O ATOM 1015 CB SER A 133 15.973 6.462 1.347 1.00 0.33 C ATOM 1016 OG SER A 133 15.142 7.335 2.095 1.00 1.25 O ATOM 0 H SER A 133 13.578 5.984 1.149 1.00 0.24 H new ATOM 0 HA SER A 133 15.922 4.448 0.602 1.00 0.28 H new ATOM 0 HB2 SER A 133 16.984 6.477 1.754 1.00 0.33 H new ATOM 0 HB3 SER A 133 16.039 6.810 0.316 1.00 0.33 H new ATOM 0 HG SER A 133 15.510 8.243 2.065 1.00 1.25 H new ATOM 1022 N ASP A 134 14.738 4.400 3.612 1.00 0.32 N ATOM 1023 CA ASP A 134 14.872 3.754 4.911 1.00 0.38 C ATOM 1024 C ASP A 134 14.358 2.323 4.825 1.00 0.39 C ATOM 1025 O ASP A 134 14.715 1.463 5.629 1.00 0.49 O ATOM 1026 CB ASP A 134 14.093 4.532 5.977 1.00 0.40 C ATOM 1027 CG ASP A 134 14.384 4.055 7.387 1.00 1.12 C ATOM 1028 OD1 ASP A 134 15.426 4.458 7.946 1.00 1.33 O ATOM 1029 OD2 ASP A 134 13.569 3.293 7.950 1.00 1.93 O ATOM 0 H ASP A 134 13.842 4.864 3.461 1.00 0.32 H new ATOM 0 HA ASP A 134 15.924 3.741 5.194 1.00 0.38 H new ATOM 0 HB2 ASP A 134 14.339 5.591 5.899 1.00 0.40 H new ATOM 0 HB3 ASP A 134 13.025 4.438 5.780 1.00 0.40 H new ATOM 1034 N LEU A 135 13.532 2.076 3.818 1.00 0.34 N ATOM 1035 CA LEU A 135 12.909 0.776 3.630 1.00 0.36 C ATOM 1036 C LEU A 135 13.844 -0.172 2.889 1.00 0.39 C ATOM 1037 O LEU A 135 14.198 -1.233 3.410 1.00 0.42 O ATOM 1038 CB LEU A 135 11.605 0.926 2.849 1.00 0.34 C ATOM 1039 CG LEU A 135 10.652 1.997 3.375 1.00 0.30 C ATOM 1040 CD1 LEU A 135 9.378 2.000 2.558 1.00 0.32 C ATOM 1041 CD2 LEU A 135 10.345 1.779 4.846 1.00 0.34 C ATOM 0 H LEU A 135 13.277 2.767 3.113 1.00 0.34 H new ATOM 0 HA LEU A 135 12.696 0.357 4.613 1.00 0.36 H new ATOM 0 HB2 LEU A 135 11.846 1.155 1.811 1.00 0.34 H new ATOM 0 HB3 LEU A 135 11.086 -0.033 2.852 1.00 0.34 H new ATOM 0 HG LEU A 135 11.136 2.969 3.278 1.00 0.30 H new ATOM 0 HD11 LEU A 135 8.703 2.766 2.939 1.00 0.32 H new ATOM 0 HD12 LEU A 135 9.615 2.211 1.515 1.00 0.32 H new ATOM 0 HD13 LEU A 135 8.897 1.025 2.630 1.00 0.32 H new ATOM 0 HD21 LEU A 135 9.664 2.556 5.195 1.00 0.34 H new ATOM 0 HD22 LEU A 135 9.880 0.802 4.980 1.00 0.34 H new ATOM 0 HD23 LEU A 135 11.270 1.822 5.421 1.00 0.34 H new ATOM 1053 N LYS A 136 14.255 0.236 1.688 1.00 0.39 N ATOM 1054 CA LYS A 136 15.129 -0.568 0.836 1.00 0.42 C ATOM 1055 C LYS A 136 14.506 -1.925 0.514 1.00 0.41 C ATOM 1056 O LYS A 136 14.929 -2.960 1.034 1.00 0.47 O ATOM 1057 CB LYS A 136 16.503 -0.751 1.489 1.00 0.47 C ATOM 1058 CG LYS A 136 17.206 0.561 1.789 1.00 1.24 C ATOM 1059 CD LYS A 136 18.526 0.336 2.505 1.00 1.64 C ATOM 1060 CE LYS A 136 19.186 1.652 2.877 1.00 2.49 C ATOM 1061 NZ LYS A 136 20.464 1.442 3.603 1.00 2.87 N ATOM 0 H LYS A 136 13.991 1.133 1.279 1.00 0.39 H new ATOM 0 HA LYS A 136 15.257 -0.030 -0.103 1.00 0.42 H new ATOM 0 HB2 LYS A 136 16.385 -1.312 2.416 1.00 0.47 H new ATOM 0 HB3 LYS A 136 17.133 -1.350 0.832 1.00 0.47 H new ATOM 0 HG2 LYS A 136 17.383 1.101 0.859 1.00 1.24 H new ATOM 0 HG3 LYS A 136 16.560 1.188 2.403 1.00 1.24 H new ATOM 0 HD2 LYS A 136 18.357 -0.255 3.405 1.00 1.64 H new ATOM 0 HD3 LYS A 136 19.195 -0.240 1.866 1.00 1.64 H new ATOM 0 HE2 LYS A 136 19.372 2.233 1.974 1.00 2.49 H new ATOM 0 HE3 LYS A 136 18.507 2.236 3.498 1.00 2.49 H new ATOM 0 HZ1 LYS A 136 20.884 2.363 3.840 1.00 2.87 H new ATOM 0 HZ2 LYS A 136 20.283 0.909 4.478 1.00 2.87 H new ATOM 0 HZ3 LYS A 136 21.121 0.906 3.001 1.00 2.87 H new ATOM 1075 N VAL A 137 13.487 -1.913 -0.337 1.00 0.37 N ATOM 1076 CA VAL A 137 12.878 -3.151 -0.802 1.00 0.38 C ATOM 1077 C VAL A 137 13.728 -3.759 -1.911 1.00 0.43 C ATOM 1078 O VAL A 137 13.725 -3.280 -3.046 1.00 0.48 O ATOM 1079 CB VAL A 137 11.442 -2.926 -1.322 1.00 0.38 C ATOM 1080 CG1 VAL A 137 10.781 -4.249 -1.674 1.00 0.45 C ATOM 1081 CG2 VAL A 137 10.614 -2.162 -0.300 1.00 0.47 C ATOM 0 H VAL A 137 13.068 -1.064 -0.717 1.00 0.37 H new ATOM 0 HA VAL A 137 12.826 -3.832 0.048 1.00 0.38 H new ATOM 0 HB VAL A 137 11.499 -2.326 -2.230 1.00 0.38 H new ATOM 0 HG11 VAL A 137 9.770 -4.065 -2.038 1.00 0.45 H new ATOM 0 HG12 VAL A 137 11.360 -4.750 -2.449 1.00 0.45 H new ATOM 0 HG13 VAL A 137 10.738 -4.881 -0.787 1.00 0.45 H new ATOM 0 HG21 VAL A 137 9.605 -2.014 -0.686 1.00 0.47 H new ATOM 0 HG22 VAL A 137 10.567 -2.731 0.629 1.00 0.47 H new ATOM 0 HG23 VAL A 137 11.075 -1.193 -0.109 1.00 0.47 H new ATOM 1091 N THR A 138 14.480 -4.785 -1.566 1.00 0.50 N ATOM 1092 CA THR A 138 15.351 -5.454 -2.515 1.00 0.60 C ATOM 1093 C THR A 138 14.607 -6.577 -3.237 1.00 0.55 C ATOM 1094 O THR A 138 13.553 -7.004 -2.772 1.00 0.51 O ATOM 1095 CB THR A 138 16.589 -6.022 -1.795 1.00 0.73 C ATOM 1096 OG1 THR A 138 16.179 -6.744 -0.626 1.00 0.72 O ATOM 1097 CG2 THR A 138 17.545 -4.909 -1.394 1.00 0.88 C ATOM 0 H THR A 138 14.506 -5.178 -0.625 1.00 0.50 H new ATOM 0 HA THR A 138 15.674 -4.721 -3.255 1.00 0.60 H new ATOM 0 HB THR A 138 17.106 -6.692 -2.482 1.00 0.73 H new ATOM 0 HG1 THR A 138 16.968 -7.105 -0.171 1.00 0.72 H new ATOM 0 HG21 THR A 138 18.410 -5.337 -0.888 1.00 0.88 H new ATOM 0 HG22 THR A 138 17.874 -4.374 -2.285 1.00 0.88 H new ATOM 0 HG23 THR A 138 17.037 -4.217 -0.722 1.00 0.88 H new ATOM 1105 N PRO A 139 15.119 -7.055 -4.385 1.00 0.63 N ATOM 1106 CA PRO A 139 14.480 -8.138 -5.148 1.00 0.67 C ATOM 1107 C PRO A 139 14.088 -9.336 -4.277 1.00 0.63 C ATOM 1108 O PRO A 139 12.961 -9.832 -4.356 1.00 0.74 O ATOM 1109 CB PRO A 139 15.558 -8.536 -6.153 1.00 0.86 C ATOM 1110 CG PRO A 139 16.339 -7.287 -6.372 1.00 0.93 C ATOM 1111 CD PRO A 139 16.344 -6.566 -5.051 1.00 0.77 C ATOM 0 HA PRO A 139 13.544 -7.814 -5.602 1.00 0.67 H new ATOM 0 HB2 PRO A 139 16.188 -9.336 -5.764 1.00 0.86 H new ATOM 0 HB3 PRO A 139 15.120 -8.899 -7.083 1.00 0.86 H new ATOM 0 HG2 PRO A 139 17.354 -7.513 -6.697 1.00 0.93 H new ATOM 0 HG3 PRO A 139 15.884 -6.674 -7.150 1.00 0.93 H new ATOM 0 HD2 PRO A 139 17.237 -6.799 -4.470 1.00 0.77 H new ATOM 0 HD3 PRO A 139 16.324 -5.484 -5.184 1.00 0.77 H new ATOM 1119 N ALA A 140 15.010 -9.774 -3.426 1.00 0.64 N ATOM 1120 CA ALA A 140 14.780 -10.941 -2.578 1.00 0.72 C ATOM 1121 C ALA A 140 13.868 -10.617 -1.395 1.00 0.64 C ATOM 1122 O ALA A 140 13.462 -11.510 -0.652 1.00 0.77 O ATOM 1123 CB ALA A 140 16.106 -11.503 -2.087 1.00 0.89 C ATOM 0 H ALA A 140 15.924 -9.339 -3.304 1.00 0.64 H new ATOM 0 HA ALA A 140 14.273 -11.693 -3.183 1.00 0.72 H new ATOM 0 HB1 ALA A 140 15.921 -12.372 -1.456 1.00 0.89 H new ATOM 0 HB2 ALA A 140 16.715 -11.798 -2.942 1.00 0.89 H new ATOM 0 HB3 ALA A 140 16.633 -10.742 -1.511 1.00 0.89 H new ATOM 1129 N ASN A 141 13.544 -9.343 -1.230 1.00 0.54 N ATOM 1130 CA ASN A 141 12.668 -8.899 -0.153 1.00 0.54 C ATOM 1131 C ASN A 141 11.520 -8.082 -0.727 1.00 0.42 C ATOM 1132 O ASN A 141 11.006 -7.167 -0.086 1.00 0.42 O ATOM 1133 CB ASN A 141 13.446 -8.056 0.865 1.00 0.69 C ATOM 1134 CG ASN A 141 14.507 -8.854 1.602 1.00 0.82 C ATOM 1135 OD1 ASN A 141 14.341 -10.046 1.855 1.00 1.10 O ATOM 1136 ND2 ASN A 141 15.609 -8.204 1.946 1.00 1.02 N ATOM 0 H ASN A 141 13.878 -8.592 -1.834 1.00 0.54 H new ATOM 0 HA ASN A 141 12.271 -9.778 0.355 1.00 0.54 H new ATOM 0 HB2 ASN A 141 13.919 -7.219 0.351 1.00 0.69 H new ATOM 0 HB3 ASN A 141 12.749 -7.633 1.588 1.00 0.69 H new ATOM 0 HD21 ASN A 141 16.357 -8.693 2.438 1.00 1.02 H new ATOM 0 HD22 ASN A 141 15.710 -7.215 1.718 1.00 1.02 H new ATOM 1143 N SER A 142 11.122 -8.430 -1.942 1.00 0.36 N ATOM 1144 CA SER A 142 10.132 -7.660 -2.679 1.00 0.31 C ATOM 1145 C SER A 142 8.713 -7.974 -2.213 1.00 0.26 C ATOM 1146 O SER A 142 7.786 -7.210 -2.477 1.00 0.26 O ATOM 1147 CB SER A 142 10.274 -7.934 -4.177 1.00 0.37 C ATOM 1148 OG SER A 142 10.336 -9.329 -4.441 1.00 1.23 O ATOM 0 H SER A 142 11.473 -9.247 -2.441 1.00 0.36 H new ATOM 0 HA SER A 142 10.313 -6.603 -2.485 1.00 0.31 H new ATOM 0 HB2 SER A 142 9.430 -7.497 -4.711 1.00 0.37 H new ATOM 0 HB3 SER A 142 11.175 -7.450 -4.554 1.00 0.37 H new ATOM 0 HG SER A 142 11.237 -9.564 -4.748 1.00 1.23 H new ATOM 1154 N THR A 143 8.546 -9.092 -1.517 1.00 0.30 N ATOM 1155 CA THR A 143 7.233 -9.483 -1.028 1.00 0.31 C ATOM 1156 C THR A 143 6.818 -8.596 0.142 1.00 0.25 C ATOM 1157 O THR A 143 7.326 -8.732 1.256 1.00 0.34 O ATOM 1158 CB THR A 143 7.201 -10.962 -0.591 1.00 0.41 C ATOM 1159 OG1 THR A 143 7.653 -11.801 -1.666 1.00 0.48 O ATOM 1160 CG2 THR A 143 5.791 -11.371 -0.186 1.00 0.45 C ATOM 0 H THR A 143 9.299 -9.739 -1.281 1.00 0.30 H new ATOM 0 HA THR A 143 6.530 -9.358 -1.851 1.00 0.31 H new ATOM 0 HB THR A 143 7.863 -11.081 0.267 1.00 0.41 H new ATOM 0 HG1 THR A 143 7.632 -12.738 -1.381 1.00 0.48 H new ATOM 0 HG21 THR A 143 5.789 -12.417 0.119 1.00 0.45 H new ATOM 0 HG22 THR A 143 5.457 -10.750 0.645 1.00 0.45 H new ATOM 0 HG23 THR A 143 5.117 -11.238 -1.032 1.00 0.45 H new ATOM 1168 N ILE A 144 5.906 -7.680 -0.127 1.00 0.20 N ATOM 1169 CA ILE A 144 5.424 -6.751 0.877 1.00 0.18 C ATOM 1170 C ILE A 144 4.017 -7.141 1.309 1.00 0.18 C ATOM 1171 O ILE A 144 3.224 -7.614 0.498 1.00 0.24 O ATOM 1172 CB ILE A 144 5.403 -5.305 0.326 1.00 0.21 C ATOM 1173 CG1 ILE A 144 6.759 -4.938 -0.290 1.00 0.22 C ATOM 1174 CG2 ILE A 144 5.038 -4.314 1.422 1.00 0.27 C ATOM 1175 CD1 ILE A 144 7.904 -4.950 0.699 1.00 0.25 C ATOM 0 H ILE A 144 5.480 -7.560 -1.046 1.00 0.20 H new ATOM 0 HA ILE A 144 6.100 -6.793 1.731 1.00 0.18 H new ATOM 0 HB ILE A 144 4.643 -5.254 -0.454 1.00 0.21 H new ATOM 0 HG12 ILE A 144 6.981 -5.636 -1.097 1.00 0.22 H new ATOM 0 HG13 ILE A 144 6.688 -3.946 -0.737 1.00 0.22 H new ATOM 0 HG21 ILE A 144 5.029 -3.304 1.011 1.00 0.27 H new ATOM 0 HG22 ILE A 144 4.050 -4.554 1.815 1.00 0.27 H new ATOM 0 HG23 ILE A 144 5.773 -4.373 2.225 1.00 0.27 H new ATOM 0 HD11 ILE A 144 8.829 -4.680 0.188 1.00 0.25 H new ATOM 0 HD12 ILE A 144 7.706 -4.231 1.494 1.00 0.25 H new ATOM 0 HD13 ILE A 144 8.004 -5.947 1.128 1.00 0.25 H new ATOM 1187 N THR A 145 3.714 -6.966 2.581 1.00 0.14 N ATOM 1188 CA THR A 145 2.376 -7.229 3.077 1.00 0.14 C ATOM 1189 C THR A 145 1.575 -5.938 3.098 1.00 0.14 C ATOM 1190 O THR A 145 1.955 -4.980 3.772 1.00 0.19 O ATOM 1191 CB THR A 145 2.414 -7.824 4.495 1.00 0.17 C ATOM 1192 OG1 THR A 145 3.298 -8.954 4.517 1.00 0.21 O ATOM 1193 CG2 THR A 145 1.023 -8.251 4.947 1.00 0.19 C ATOM 0 H THR A 145 4.374 -6.644 3.289 1.00 0.14 H new ATOM 0 HA THR A 145 1.905 -7.952 2.411 1.00 0.14 H new ATOM 0 HB THR A 145 2.776 -7.058 5.181 1.00 0.17 H new ATOM 0 HG1 THR A 145 3.323 -9.332 5.421 1.00 0.21 H new ATOM 0 HG21 THR A 145 1.079 -8.668 5.953 1.00 0.19 H new ATOM 0 HG22 THR A 145 0.360 -7.386 4.949 1.00 0.19 H new ATOM 0 HG23 THR A 145 0.634 -9.005 4.263 1.00 0.19 H new ATOM 1201 N VAL A 146 0.484 -5.894 2.352 1.00 0.14 N ATOM 1202 CA VAL A 146 -0.352 -4.714 2.351 1.00 0.15 C ATOM 1203 C VAL A 146 -1.763 -5.047 2.828 1.00 0.15 C ATOM 1204 O VAL A 146 -2.447 -5.923 2.292 1.00 0.19 O ATOM 1205 CB VAL A 146 -0.384 -4.004 0.973 1.00 0.15 C ATOM 1206 CG1 VAL A 146 -1.127 -4.807 -0.079 1.00 0.16 C ATOM 1207 CG2 VAL A 146 -0.979 -2.616 1.112 1.00 0.20 C ATOM 0 H VAL A 146 0.163 -6.651 1.749 1.00 0.14 H new ATOM 0 HA VAL A 146 0.096 -4.011 3.053 1.00 0.15 H new ATOM 0 HB VAL A 146 0.647 -3.918 0.629 1.00 0.15 H new ATOM 0 HG11 VAL A 146 -1.119 -4.264 -1.024 1.00 0.16 H new ATOM 0 HG12 VAL A 146 -0.639 -5.773 -0.211 1.00 0.16 H new ATOM 0 HG13 VAL A 146 -2.157 -4.962 0.242 1.00 0.16 H new ATOM 0 HG21 VAL A 146 -0.996 -2.128 0.137 1.00 0.20 H new ATOM 0 HG22 VAL A 146 -1.996 -2.693 1.497 1.00 0.20 H new ATOM 0 HG23 VAL A 146 -0.374 -2.028 1.802 1.00 0.20 H new ATOM 1217 N MET A 147 -2.167 -4.373 3.880 1.00 0.17 N ATOM 1218 CA MET A 147 -3.490 -4.533 4.431 1.00 0.18 C ATOM 1219 C MET A 147 -4.327 -3.319 4.061 1.00 0.15 C ATOM 1220 O MET A 147 -4.195 -2.255 4.662 1.00 0.19 O ATOM 1221 CB MET A 147 -3.405 -4.685 5.954 1.00 0.24 C ATOM 1222 CG MET A 147 -2.489 -5.809 6.408 1.00 0.26 C ATOM 1223 SD MET A 147 -2.385 -5.938 8.204 1.00 0.95 S ATOM 1224 CE MET A 147 -1.244 -7.308 8.373 1.00 1.62 C ATOM 0 H MET A 147 -1.586 -3.698 4.377 1.00 0.17 H new ATOM 0 HA MET A 147 -3.957 -5.430 4.024 1.00 0.18 H new ATOM 0 HB2 MET A 147 -3.054 -3.747 6.384 1.00 0.24 H new ATOM 0 HB3 MET A 147 -4.406 -4.862 6.348 1.00 0.24 H new ATOM 0 HG2 MET A 147 -2.849 -6.753 6.000 1.00 0.26 H new ATOM 0 HG3 MET A 147 -1.491 -5.646 6.001 1.00 0.26 H new ATOM 0 HE1 MET A 147 -1.391 -7.787 9.341 1.00 1.62 H new ATOM 0 HE2 MET A 147 -1.425 -8.032 7.579 1.00 1.62 H new ATOM 0 HE3 MET A 147 -0.220 -6.940 8.302 1.00 1.62 H new ATOM 1234 N ILE A 148 -5.171 -3.473 3.054 1.00 0.12 N ATOM 1235 CA ILE A 148 -6.010 -2.378 2.601 1.00 0.09 C ATOM 1236 C ILE A 148 -7.470 -2.743 2.735 1.00 0.10 C ATOM 1237 O ILE A 148 -7.864 -3.863 2.400 1.00 0.14 O ATOM 1238 CB ILE A 148 -5.773 -2.013 1.123 1.00 0.11 C ATOM 1239 CG1 ILE A 148 -4.294 -1.794 0.834 1.00 0.12 C ATOM 1240 CG2 ILE A 148 -6.576 -0.771 0.775 1.00 0.19 C ATOM 1241 CD1 ILE A 148 -4.001 -1.522 -0.626 1.00 0.14 C ATOM 0 H ILE A 148 -5.293 -4.344 2.536 1.00 0.12 H new ATOM 0 HA ILE A 148 -5.747 -1.526 3.228 1.00 0.09 H new ATOM 0 HB ILE A 148 -6.105 -2.845 0.502 1.00 0.11 H new ATOM 0 HG12 ILE A 148 -3.935 -0.956 1.431 1.00 0.12 H new ATOM 0 HG13 ILE A 148 -3.735 -2.674 1.151 1.00 0.12 H new ATOM 0 HG21 ILE A 148 -6.410 -0.511 -0.270 1.00 0.19 H new ATOM 0 HG22 ILE A 148 -7.636 -0.966 0.936 1.00 0.19 H new ATOM 0 HG23 ILE A 148 -6.259 0.057 1.409 1.00 0.19 H new ATOM 0 HD11 ILE A 148 -2.929 -1.375 -0.761 1.00 0.14 H new ATOM 0 HD12 ILE A 148 -4.330 -2.370 -1.227 1.00 0.14 H new ATOM 0 HD13 ILE A 148 -4.533 -0.625 -0.943 1.00 0.14 H new ATOM 1253 N LYS A 149 -8.267 -1.803 3.205 1.00 0.12 N ATOM 1254 CA LYS A 149 -9.706 -1.993 3.248 1.00 0.16 C ATOM 1255 C LYS A 149 -10.386 -0.840 2.520 1.00 0.22 C ATOM 1256 O LYS A 149 -10.433 0.282 3.029 1.00 0.34 O ATOM 1257 CB LYS A 149 -10.205 -2.075 4.693 1.00 0.22 C ATOM 1258 CG LYS A 149 -9.346 -2.957 5.593 1.00 0.35 C ATOM 1259 CD LYS A 149 -9.228 -4.394 5.111 1.00 0.66 C ATOM 1260 CE LYS A 149 -10.562 -4.954 4.711 1.00 0.76 C ATOM 1261 NZ LYS A 149 -11.415 -5.277 5.884 1.00 1.18 N ATOM 0 H LYS A 149 -7.945 -0.903 3.561 1.00 0.12 H new ATOM 0 HA LYS A 149 -9.953 -2.934 2.756 1.00 0.16 H new ATOM 0 HB2 LYS A 149 -10.240 -1.070 5.113 1.00 0.22 H new ATOM 0 HB3 LYS A 149 -11.226 -2.457 4.694 1.00 0.22 H new ATOM 0 HG2 LYS A 149 -8.348 -2.524 5.665 1.00 0.35 H new ATOM 0 HG3 LYS A 149 -9.767 -2.954 6.598 1.00 0.35 H new ATOM 0 HD2 LYS A 149 -8.545 -4.439 4.263 1.00 0.66 H new ATOM 0 HD3 LYS A 149 -8.797 -5.009 5.901 1.00 0.66 H new ATOM 0 HE2 LYS A 149 -11.079 -4.235 4.076 1.00 0.76 H new ATOM 0 HE3 LYS A 149 -10.411 -5.855 4.116 1.00 0.76 H new ATOM 0 HZ1 LYS A 149 -12.325 -5.660 5.557 1.00 1.18 H new ATOM 0 HZ2 LYS A 149 -10.935 -5.983 6.478 1.00 1.18 H new ATOM 0 HZ3 LYS A 149 -11.583 -4.414 6.439 1.00 1.18 H new ATOM 1275 N PRO A 150 -10.883 -1.087 1.300 1.00 0.23 N ATOM 1276 CA PRO A 150 -11.543 -0.063 0.493 1.00 0.30 C ATOM 1277 C PRO A 150 -12.884 0.358 1.080 1.00 0.45 C ATOM 1278 O PRO A 150 -13.929 -0.196 0.732 1.00 0.78 O ATOM 1279 CB PRO A 150 -11.745 -0.731 -0.876 1.00 0.47 C ATOM 1280 CG PRO A 150 -10.923 -1.974 -0.839 1.00 0.44 C ATOM 1281 CD PRO A 150 -10.846 -2.377 0.604 1.00 0.29 C ATOM 0 HA PRO A 150 -10.948 0.849 0.443 1.00 0.30 H new ATOM 0 HB2 PRO A 150 -12.796 -0.961 -1.049 1.00 0.47 H new ATOM 0 HB3 PRO A 150 -11.425 -0.073 -1.684 1.00 0.47 H new ATOM 0 HG2 PRO A 150 -11.379 -2.761 -1.440 1.00 0.44 H new ATOM 0 HG3 PRO A 150 -9.928 -1.796 -1.248 1.00 0.44 H new ATOM 0 HD2 PRO A 150 -11.681 -3.016 0.891 1.00 0.29 H new ATOM 0 HD3 PRO A 150 -9.932 -2.929 0.822 1.00 0.29 H new ATOM 1289 N ASN A 151 -12.837 1.313 2.000 1.00 0.73 N ATOM 1290 CA ASN A 151 -14.044 1.930 2.534 1.00 0.99 C ATOM 1291 C ASN A 151 -14.715 2.759 1.444 1.00 1.49 C ATOM 1292 O ASN A 151 -14.505 3.968 1.340 1.00 2.08 O ATOM 1293 CB ASN A 151 -13.706 2.797 3.755 1.00 1.70 C ATOM 1294 CG ASN A 151 -14.918 3.514 4.331 1.00 2.54 C ATOM 1295 OD1 ASN A 151 -15.198 4.661 3.986 1.00 3.20 O ATOM 1296 ND2 ASN A 151 -15.642 2.847 5.215 1.00 3.09 N ATOM 0 H ASN A 151 -11.970 1.679 2.394 1.00 0.73 H new ATOM 0 HA ASN A 151 -14.735 1.152 2.859 1.00 0.99 H new ATOM 0 HB2 ASN A 151 -13.262 2.169 4.527 1.00 1.70 H new ATOM 0 HB3 ASN A 151 -12.955 3.535 3.473 1.00 1.70 H new ATOM 0 HD21 ASN A 151 -16.463 3.283 5.635 1.00 3.09 H new ATOM 0 HD22 ASN A 151 -15.379 1.897 5.477 1.00 3.09 H new ATOM 1303 N LEU A 152 -15.480 2.077 0.607 1.00 2.09 N ATOM 1304 CA LEU A 152 -16.159 2.693 -0.520 1.00 2.99 C ATOM 1305 C LEU A 152 -17.467 1.964 -0.786 1.00 3.09 C ATOM 1306 O LEU A 152 -17.559 0.755 -0.582 1.00 3.51 O ATOM 1307 CB LEU A 152 -15.275 2.640 -1.773 1.00 3.90 C ATOM 1308 CG LEU A 152 -14.072 3.589 -1.776 1.00 4.55 C ATOM 1309 CD1 LEU A 152 -13.139 3.262 -2.931 1.00 5.57 C ATOM 1310 CD2 LEU A 152 -14.537 5.035 -1.869 1.00 4.84 C ATOM 0 H LEU A 152 -15.648 1.074 0.691 1.00 2.09 H new ATOM 0 HA LEU A 152 -16.363 3.736 -0.280 1.00 2.99 H new ATOM 0 HB2 LEU A 152 -14.911 1.620 -1.896 1.00 3.90 H new ATOM 0 HB3 LEU A 152 -15.894 2.864 -2.642 1.00 3.90 H new ATOM 0 HG LEU A 152 -13.527 3.457 -0.841 1.00 4.55 H new ATOM 0 HD11 LEU A 152 -12.290 3.946 -2.918 1.00 5.57 H new ATOM 0 HD12 LEU A 152 -12.781 2.237 -2.831 1.00 5.57 H new ATOM 0 HD13 LEU A 152 -13.676 3.368 -3.874 1.00 5.57 H new ATOM 0 HD21 LEU A 152 -13.671 5.696 -1.870 1.00 4.84 H new ATOM 0 HD22 LEU A 152 -15.103 5.177 -2.790 1.00 4.84 H new ATOM 0 HD23 LEU A 152 -15.171 5.269 -1.014 1.00 4.84 H new ATOM 1322 N GLU A 153 -18.469 2.701 -1.229 1.00 3.10 N ATOM 1323 CA GLU A 153 -19.771 2.124 -1.525 1.00 3.49 C ATOM 1324 C GLU A 153 -20.074 2.204 -3.019 1.00 3.85 C ATOM 1325 O GLU A 153 -21.166 2.593 -3.425 1.00 4.08 O ATOM 1326 CB GLU A 153 -20.874 2.829 -0.721 1.00 3.81 C ATOM 1327 CG GLU A 153 -20.964 4.335 -0.949 1.00 4.42 C ATOM 1328 CD GLU A 153 -19.843 5.104 -0.288 1.00 4.92 C ATOM 1329 OE1 GLU A 153 -19.973 5.427 0.910 1.00 5.23 O ATOM 1330 OE2 GLU A 153 -18.827 5.388 -0.961 1.00 5.30 O ATOM 0 H GLU A 153 -18.407 3.706 -1.393 1.00 3.10 H new ATOM 0 HA GLU A 153 -19.746 1.074 -1.234 1.00 3.49 H new ATOM 0 HB2 GLU A 153 -21.834 2.379 -0.974 1.00 3.81 H new ATOM 0 HB3 GLU A 153 -20.706 2.645 0.340 1.00 3.81 H new ATOM 0 HG2 GLU A 153 -20.951 4.535 -2.020 1.00 4.42 H new ATOM 0 HG3 GLU A 153 -21.919 4.697 -0.568 1.00 4.42 H new ATOM 1337 N HIS A 154 -19.109 1.816 -3.838 1.00 4.32 N ATOM 1338 CA HIS A 154 -19.276 1.885 -5.288 1.00 5.11 C ATOM 1339 C HIS A 154 -20.249 0.819 -5.776 1.00 5.76 C ATOM 1340 O HIS A 154 -20.782 0.908 -6.881 1.00 6.42 O ATOM 1341 CB HIS A 154 -17.931 1.742 -6.003 1.00 5.87 C ATOM 1342 CG HIS A 154 -17.105 2.995 -5.994 1.00 6.39 C ATOM 1343 ND1 HIS A 154 -16.498 3.499 -7.121 1.00 7.30 N ATOM 1344 CD2 HIS A 154 -16.785 3.844 -4.988 1.00 6.49 C ATOM 1345 CE1 HIS A 154 -15.841 4.600 -6.810 1.00 7.87 C ATOM 1346 NE2 HIS A 154 -15.998 4.834 -5.523 1.00 7.44 N ATOM 0 H HIS A 154 -18.207 1.452 -3.530 1.00 4.32 H new ATOM 0 HA HIS A 154 -19.690 2.865 -5.527 1.00 5.11 H new ATOM 0 HB2 HIS A 154 -17.363 0.940 -5.532 1.00 5.87 H new ATOM 0 HB3 HIS A 154 -18.109 1.442 -7.036 1.00 5.87 H new ATOM 0 HD2 HIS A 154 -17.092 3.758 -3.956 1.00 6.49 H new ATOM 0 HE1 HIS A 154 -15.270 5.208 -7.496 1.00 7.87 H new ATOM 0 HE2 HIS A 154 -15.601 5.620 -5.009 1.00 7.44 H new ATOM 1355 N HIS A 155 -20.486 -0.184 -4.945 1.00 5.92 N ATOM 1356 CA HIS A 155 -21.434 -1.237 -5.273 1.00 6.87 C ATOM 1357 C HIS A 155 -22.795 -0.924 -4.668 1.00 7.38 C ATOM 1358 O HIS A 155 -23.059 -1.243 -3.507 1.00 7.93 O ATOM 1359 CB HIS A 155 -20.943 -2.599 -4.768 1.00 7.43 C ATOM 1360 CG HIS A 155 -19.704 -3.093 -5.447 1.00 7.54 C ATOM 1361 ND1 HIS A 155 -19.707 -4.122 -6.360 1.00 7.84 N ATOM 1362 CD2 HIS A 155 -18.413 -2.703 -5.331 1.00 7.73 C ATOM 1363 CE1 HIS A 155 -18.476 -4.343 -6.776 1.00 8.16 C ATOM 1364 NE2 HIS A 155 -17.669 -3.495 -6.167 1.00 8.11 N ATOM 0 H HIS A 155 -20.034 -0.291 -4.037 1.00 5.92 H new ATOM 0 HA HIS A 155 -21.523 -1.284 -6.358 1.00 6.87 H new ATOM 0 HB2 HIS A 155 -20.754 -2.531 -3.697 1.00 7.43 H new ATOM 0 HB3 HIS A 155 -21.737 -3.333 -4.906 1.00 7.43 H new ATOM 0 HD2 HIS A 155 -18.038 -1.913 -4.697 1.00 7.73 H new ATOM 0 HE1 HIS A 155 -18.178 -5.092 -7.495 1.00 8.16 H new ATOM 0 HE2 HIS A 155 -16.659 -3.438 -6.297 1.00 8.11 H new ATOM 1373 N HIS A 156 -23.644 -0.272 -5.445 1.00 7.44 N ATOM 1374 CA HIS A 156 -24.995 0.034 -5.004 1.00 8.20 C ATOM 1375 C HIS A 156 -25.986 -0.928 -5.640 1.00 9.06 C ATOM 1376 O HIS A 156 -25.690 -1.559 -6.654 1.00 9.60 O ATOM 1377 CB HIS A 156 -25.388 1.473 -5.359 1.00 8.15 C ATOM 1378 CG HIS A 156 -24.682 2.526 -4.562 1.00 8.20 C ATOM 1379 ND1 HIS A 156 -23.964 3.550 -5.141 1.00 8.54 N ATOM 1380 CD2 HIS A 156 -24.624 2.738 -3.227 1.00 8.27 C ATOM 1381 CE1 HIS A 156 -23.497 4.345 -4.195 1.00 8.77 C ATOM 1382 NE2 HIS A 156 -23.885 3.874 -3.026 1.00 8.62 N ATOM 0 H HIS A 156 -23.422 0.056 -6.385 1.00 7.44 H new ATOM 0 HA HIS A 156 -25.019 -0.074 -3.920 1.00 8.20 H new ATOM 0 HB2 HIS A 156 -25.186 1.640 -6.417 1.00 8.15 H new ATOM 0 HB3 HIS A 156 -26.463 1.588 -5.217 1.00 8.15 H new ATOM 0 HD2 HIS A 156 -25.077 2.125 -2.461 1.00 8.27 H new ATOM 0 HE1 HIS A 156 -22.899 5.230 -4.352 1.00 8.77 H new ATOM 0 HE2 HIS A 156 -23.670 4.288 -2.119 1.00 8.62 H new ATOM 1391 N HIS A 157 -27.155 -1.045 -5.035 1.00 9.38 N ATOM 1392 CA HIS A 157 -28.232 -1.838 -5.607 1.00 10.35 C ATOM 1393 C HIS A 157 -29.559 -1.122 -5.408 1.00 11.06 C ATOM 1394 O HIS A 157 -30.624 -1.740 -5.406 1.00 11.32 O ATOM 1395 CB HIS A 157 -28.268 -3.249 -4.994 1.00 10.43 C ATOM 1396 CG HIS A 157 -28.532 -3.282 -3.516 1.00 10.63 C ATOM 1397 ND1 HIS A 157 -27.531 -3.284 -2.571 1.00 10.79 N ATOM 1398 CD2 HIS A 157 -29.696 -3.315 -2.824 1.00 10.94 C ATOM 1399 CE1 HIS A 157 -28.066 -3.316 -1.366 1.00 11.19 C ATOM 1400 NE2 HIS A 157 -29.378 -3.336 -1.491 1.00 11.29 N ATOM 0 H HIS A 157 -27.384 -0.601 -4.146 1.00 9.38 H new ATOM 0 HA HIS A 157 -28.052 -1.953 -6.676 1.00 10.35 H new ATOM 0 HB2 HIS A 157 -29.038 -3.831 -5.500 1.00 10.43 H new ATOM 0 HB3 HIS A 157 -27.315 -3.741 -5.191 1.00 10.43 H new ATOM 0 HD2 HIS A 157 -30.691 -3.323 -3.245 1.00 10.94 H new ATOM 0 HE1 HIS A 157 -27.521 -3.324 -0.434 1.00 11.19 H new ATOM 0 HE2 HIS A 157 -30.047 -3.363 -0.722 1.00 11.29 H new ATOM 1409 N HIS A 158 -29.469 0.199 -5.251 1.00 11.55 N ATOM 1410 CA HIS A 158 -30.625 1.055 -4.991 1.00 12.39 C ATOM 1411 C HIS A 158 -31.288 0.703 -3.663 1.00 12.96 C ATOM 1412 O HIS A 158 -32.314 0.022 -3.623 1.00 13.26 O ATOM 1413 CB HIS A 158 -31.647 0.978 -6.132 1.00 12.59 C ATOM 1414 CG HIS A 158 -31.148 1.544 -7.425 1.00 12.97 C ATOM 1415 ND1 HIS A 158 -31.017 2.897 -7.655 1.00 13.20 N ATOM 1416 CD2 HIS A 158 -30.738 0.931 -8.560 1.00 13.37 C ATOM 1417 CE1 HIS A 158 -30.551 3.091 -8.873 1.00 13.72 C ATOM 1418 NE2 HIS A 158 -30.374 1.916 -9.441 1.00 13.83 N ATOM 0 H HIS A 158 -28.586 0.708 -5.301 1.00 11.55 H new ATOM 0 HA HIS A 158 -30.258 2.080 -4.930 1.00 12.39 H new ATOM 0 HB2 HIS A 158 -31.929 -0.064 -6.286 1.00 12.59 H new ATOM 0 HB3 HIS A 158 -32.550 1.512 -5.836 1.00 12.59 H new ATOM 0 HD2 HIS A 158 -30.704 -0.134 -8.738 1.00 13.37 H new ATOM 0 HE1 HIS A 158 -30.349 4.050 -9.327 1.00 13.72 H new ATOM 0 HE2 HIS A 158 -30.022 1.763 -10.386 1.00 13.83 H new ATOM 1427 N HIS A 159 -30.690 1.172 -2.580 1.00 13.27 N ATOM 1428 CA HIS A 159 -31.234 0.951 -1.248 1.00 13.97 C ATOM 1429 C HIS A 159 -32.337 1.967 -0.962 1.00 14.44 C ATOM 1430 O HIS A 159 -33.494 1.714 -1.356 1.00 14.87 O ATOM 1431 CB HIS A 159 -30.115 1.046 -0.202 1.00 14.33 C ATOM 1432 CG HIS A 159 -30.565 0.826 1.214 1.00 14.72 C ATOM 1433 ND1 HIS A 159 -30.959 -0.402 1.700 1.00 14.82 N ATOM 1434 CD2 HIS A 159 -30.666 1.687 2.255 1.00 15.22 C ATOM 1435 CE1 HIS A 159 -31.281 -0.286 2.974 1.00 15.36 C ATOM 1436 NE2 HIS A 159 -31.111 0.969 3.334 1.00 15.61 N ATOM 1437 OXT HIS A 159 -32.042 3.022 -0.368 1.00 14.50 O ATOM 0 H HIS A 159 -29.824 1.711 -2.597 1.00 13.27 H new ATOM 0 HA HIS A 159 -31.666 -0.048 -1.196 1.00 13.97 H new ATOM 0 HB2 HIS A 159 -29.346 0.312 -0.444 1.00 14.33 H new ATOM 0 HB3 HIS A 159 -29.651 2.030 -0.274 1.00 14.33 H new ATOM 0 HD2 HIS A 159 -30.438 2.743 2.238 1.00 15.22 H new ATOM 0 HE1 HIS A 159 -31.626 -1.085 3.613 1.00 15.36 H new ATOM 0 HE2 HIS A 159 -31.283 1.346 4.266 1.00 15.61 H new TER 1446 HIS A 159