USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 853 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 48 LYS NZ :NH3+ -139:sc= 0.0655 (180deg=0) USER MOD Set 1.2: A 68 ASN : amide:sc= -0.519 K(o=-0.45,f=-5.2!) USER MOD Set 2.1: A 10 MET CE :methyl -170:sc= -0.274 (180deg=-0.569) USER MOD Set 2.2: A 24 TYR OH : rot 7:sc= 1.27 USER MOD Set 3.1: A 17 ASN : amide:sc= -0.0304 X(o=-0.03,f=-0.03) USER MOD Set 3.2: A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 156:sc= -1.37 (180deg=-3.5!) USER MOD Single : A 3 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.67) USER MOD Single : A 4 MET CE :methyl -129:sc= -0.623 (180deg=-4.87!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 146:sc= -0.214 USER MOD Single : A -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -82:sc= 0.266 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.121 F(o=-0.78,f=-0.12) USER MOD Single : A 36 LYS NZ :NH3+ -135:sc= 1.24 (180deg=0.658) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 1.05 K(o=1,f=-1.2) USER MOD Single : A 46 SER OG : rot -30:sc= 0.16 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.353 X(o=-0.35,f=-0.6) USER MOD Single : A 57 ASN : amide:sc=-0.00433 K(o=-0.0043,f=-0.69) USER MOD Single : A 61 CYS SG : rot -11:sc= -3.93! USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= -0.0726 (180deg=-0.166) USER MOD Single : A 63 ASN : amide:sc=-0.00107 X(o=-0.0011,f=-0.085) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -161:sc= 1.09 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 164:sc= -0.0196 (180deg=-0.228) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.0099) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 1.17 K(o=1.2,f=-7.5!) USER MOD Single : A 91 SER OG : rot -38:sc= 0.151 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -144:sc= -0.0557 (180deg=-1.47!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0.0979 K(o=0.098,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 21.530 1.033 8.364 1.00 0.00 N ATOM 2 CA GLY A -2 20.250 1.298 9.032 1.00 0.00 C ATOM 3 C GLY A -2 19.201 0.386 8.442 1.00 0.00 C ATOM 4 O GLY A -2 18.710 -0.501 9.145 1.00 0.00 O ATOM 0 H1 GLY A -2 22.264 1.655 8.760 1.00 0.00 H new ATOM 0 H2 GLY A -2 21.800 0.040 8.513 1.00 0.00 H new ATOM 0 H3 GLY A -2 21.434 1.217 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A -2 20.340 1.127 10.105 1.00 0.00 H new ATOM 0 HA3 GLY A -2 19.963 2.341 8.899 1.00 0.00 H new ATOM 8 N HIS A -1 18.951 0.573 7.143 1.00 0.00 N ATOM 9 CA HIS A -1 18.212 -0.291 6.242 1.00 0.00 C ATOM 10 C HIS A -1 16.766 -0.529 6.704 1.00 0.00 C ATOM 11 O HIS A -1 16.222 0.259 7.482 1.00 0.00 O ATOM 12 CB HIS A -1 19.001 -1.578 5.965 1.00 0.00 C ATOM 13 CG HIS A -1 20.397 -1.442 5.416 1.00 0.00 C ATOM 14 ND1 HIS A -1 21.493 -2.132 5.882 1.00 0.00 N ATOM 15 CD2 HIS A -1 20.757 -0.833 4.242 1.00 0.00 C ATOM 16 CE1 HIS A -1 22.495 -1.936 5.013 1.00 0.00 C ATOM 17 NE2 HIS A -1 22.103 -1.138 4.005 1.00 0.00 N ATOM 0 H HIS A -1 19.293 1.405 6.662 1.00 0.00 H new ATOM 0 HA HIS A -1 18.106 0.222 5.286 1.00 0.00 H new ATOM 0 HB2 HIS A -1 19.061 -2.141 6.896 1.00 0.00 H new ATOM 0 HB3 HIS A -1 18.423 -2.181 5.265 1.00 0.00 H new ATOM 0 HD2 HIS A -1 20.119 -0.228 3.614 1.00 0.00 H new ATOM 0 HE1 HIS A -1 23.483 -2.362 5.110 1.00 0.00 H new ATOM 0 HE2 HIS A -1 22.673 -0.818 3.222 1.00 0.00 H new ATOM 25 N MET A 1 16.085 -1.538 6.142 1.00 0.00 N ATOM 26 CA MET A 1 14.781 -1.972 6.614 1.00 0.00 C ATOM 27 C MET A 1 14.597 -3.463 6.321 1.00 0.00 C ATOM 28 O MET A 1 14.734 -3.881 5.171 1.00 0.00 O ATOM 29 CB MET A 1 13.632 -1.185 5.961 1.00 0.00 C ATOM 30 CG MET A 1 12.304 -1.611 6.603 1.00 0.00 C ATOM 31 SD MET A 1 12.242 -1.537 8.420 1.00 0.00 S ATOM 32 CE MET A 1 10.699 -2.426 8.769 1.00 0.00 C ATOM 0 H MET A 1 16.432 -2.072 5.345 1.00 0.00 H new ATOM 0 HA MET A 1 14.747 -1.785 7.687 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.787 -0.114 6.093 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.609 -1.374 4.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.511 -0.978 6.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.083 -2.632 6.292 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.733 -2.830 9.781 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.856 -1.741 8.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.580 -3.242 8.056 1.00 0.00 H new ATOM 42 N ILE A 2 14.186 -4.233 7.327 1.00 0.00 N ATOM 43 CA ILE A 2 13.907 -5.661 7.262 1.00 0.00 C ATOM 44 C ILE A 2 12.408 -5.860 7.523 1.00 0.00 C ATOM 45 O ILE A 2 11.842 -5.093 8.296 1.00 0.00 O ATOM 46 CB ILE A 2 14.716 -6.381 8.371 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.199 -5.986 8.452 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.626 -7.892 8.174 1.00 0.00 C ATOM 49 CD1 ILE A 2 16.518 -4.788 9.363 1.00 0.00 C ATOM 0 H ILE A 2 14.031 -3.853 8.261 1.00 0.00 H new ATOM 0 HA ILE A 2 14.183 -6.065 6.288 1.00 0.00 H new ATOM 0 HB ILE A 2 14.261 -6.063 9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.768 -6.848 8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.552 -5.759 7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.196 -8.395 8.955 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.583 -8.204 8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.035 -8.157 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 2 17.591 -4.595 9.348 1.00 0.00 H new ATOM 0 HD12 ILE A 2 15.985 -3.907 9.005 1.00 0.00 H new ATOM 0 HD13 ILE A 2 16.205 -5.013 10.383 1.00 0.00 H new ATOM 61 N ASN A 3 11.784 -6.929 7.013 1.00 0.00 N ATOM 62 CA ASN A 3 10.433 -7.395 7.366 1.00 0.00 C ATOM 63 C ASN A 3 9.298 -6.445 6.938 1.00 0.00 C ATOM 64 O ASN A 3 8.153 -6.658 7.354 1.00 0.00 O ATOM 65 CB ASN A 3 10.270 -7.715 8.879 1.00 0.00 C ATOM 66 CG ASN A 3 11.239 -8.713 9.499 1.00 0.00 C ATOM 67 OD1 ASN A 3 11.674 -9.672 8.870 1.00 0.00 O ATOM 68 ND2 ASN A 3 11.535 -8.568 10.781 1.00 0.00 N ATOM 0 H ASN A 3 12.226 -7.522 6.310 1.00 0.00 H new ATOM 0 HA ASN A 3 10.336 -8.315 6.790 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.354 -6.779 9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.258 -8.088 9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.126 -9.255 11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.172 -7.769 11.301 1.00 0.00 H new ATOM 75 N MET A 4 9.559 -5.400 6.150 1.00 0.00 N ATOM 76 CA MET A 4 8.550 -4.414 5.764 1.00 0.00 C ATOM 77 C MET A 4 7.677 -5.005 4.652 1.00 0.00 C ATOM 78 O MET A 4 8.112 -5.866 3.879 1.00 0.00 O ATOM 79 CB MET A 4 9.270 -3.139 5.296 1.00 0.00 C ATOM 80 CG MET A 4 8.419 -1.895 4.994 1.00 0.00 C ATOM 81 SD MET A 4 8.456 -0.612 6.280 1.00 0.00 S ATOM 82 CE MET A 4 9.538 0.663 5.545 1.00 0.00 C ATOM 0 H MET A 4 10.483 -5.214 5.760 1.00 0.00 H new ATOM 0 HA MET A 4 7.904 -4.161 6.605 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.997 -2.867 6.061 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.832 -3.385 4.395 1.00 0.00 H new ATOM 0 HG2 MET A 4 8.761 -1.458 4.056 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.386 -2.208 4.843 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.318 0.933 6.257 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.996 0.272 4.637 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.947 1.546 5.302 1.00 0.00 H new ATOM 92 N LYS A 5 6.446 -4.511 4.525 1.00 0.00 N ATOM 93 CA LYS A 5 5.512 -4.871 3.458 1.00 0.00 C ATOM 94 C LYS A 5 4.623 -3.657 3.185 1.00 0.00 C ATOM 95 O LYS A 5 4.214 -3.004 4.146 1.00 0.00 O ATOM 96 CB LYS A 5 4.633 -6.039 3.939 1.00 0.00 C ATOM 97 CG LYS A 5 5.012 -7.375 3.295 1.00 0.00 C ATOM 98 CD LYS A 5 4.865 -8.569 4.250 1.00 0.00 C ATOM 99 CE LYS A 5 6.255 -9.086 4.606 1.00 0.00 C ATOM 100 NZ LYS A 5 6.203 -10.195 5.572 1.00 0.00 N ATOM 0 H LYS A 5 6.060 -3.830 5.179 1.00 0.00 H new ATOM 0 HA LYS A 5 6.049 -5.164 2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.716 -6.127 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.589 -5.817 3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.385 -7.539 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.043 -7.323 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.332 -8.268 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.277 -9.358 3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.761 -9.419 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.849 -8.272 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.169 -10.515 5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.744 -9.872 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.659 -10.983 5.167 1.00 0.00 H new ATOM 114 N VAL A 6 4.249 -3.398 1.935 1.00 0.00 N ATOM 115 CA VAL A 6 3.301 -2.361 1.546 1.00 0.00 C ATOM 116 C VAL A 6 2.303 -2.948 0.566 1.00 0.00 C ATOM 117 O VAL A 6 2.678 -3.756 -0.286 1.00 0.00 O ATOM 118 CB VAL A 6 4.047 -1.172 0.911 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.127 -0.136 0.249 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.883 -0.449 1.940 1.00 0.00 C ATOM 0 H VAL A 6 4.611 -3.923 1.139 1.00 0.00 H new ATOM 0 HA VAL A 6 2.771 -1.998 2.426 1.00 0.00 H new ATOM 0 HB VAL A 6 4.668 -1.619 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.729 0.668 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.552 -0.614 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.446 0.274 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.400 0.386 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.238 -0.074 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.616 -1.137 2.362 1.00 0.00 H new ATOM 130 N ALA A 7 1.037 -2.549 0.670 1.00 0.00 N ATOM 131 CA ALA A 7 0.039 -2.792 -0.355 1.00 0.00 C ATOM 132 C ALA A 7 -0.101 -1.508 -1.166 1.00 0.00 C ATOM 133 O ALA A 7 -0.744 -0.558 -0.708 1.00 0.00 O ATOM 134 CB ALA A 7 -1.284 -3.219 0.284 1.00 0.00 C ATOM 0 H ALA A 7 0.677 -2.043 1.479 1.00 0.00 H new ATOM 0 HA ALA A 7 0.339 -3.606 -1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.024 -3.398 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.133 -4.134 0.857 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.639 -2.430 0.947 1.00 0.00 H new ATOM 140 N ILE A 8 0.504 -1.466 -2.352 1.00 0.00 N ATOM 141 CA ILE A 8 0.240 -0.421 -3.333 1.00 0.00 C ATOM 142 C ILE A 8 -1.046 -0.855 -4.037 1.00 0.00 C ATOM 143 O ILE A 8 -1.063 -1.936 -4.635 1.00 0.00 O ATOM 144 CB ILE A 8 1.420 -0.259 -4.328 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.753 -0.089 -3.570 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.174 0.967 -5.223 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.961 0.090 -4.494 1.00 0.00 C ATOM 0 H ILE A 8 1.190 -2.156 -2.657 1.00 0.00 H new ATOM 0 HA ILE A 8 0.130 0.557 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 8 1.483 -1.157 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.679 0.775 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.916 -0.961 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.003 1.080 -5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.247 0.831 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.097 1.860 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.864 0.204 -3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.060 -0.785 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.820 0.978 -5.109 1.00 0.00 H new ATOM 159 N SER A 9 -2.131 -0.081 -3.954 1.00 0.00 N ATOM 160 CA SER A 9 -3.259 -0.327 -4.831 1.00 0.00 C ATOM 161 C SER A 9 -2.772 -0.011 -6.253 1.00 0.00 C ATOM 162 O SER A 9 -2.067 0.977 -6.460 1.00 0.00 O ATOM 163 CB SER A 9 -4.449 0.514 -4.341 1.00 0.00 C ATOM 164 OG SER A 9 -4.405 1.886 -4.639 1.00 0.00 O ATOM 0 H SER A 9 -2.245 0.698 -3.305 1.00 0.00 H new ATOM 0 HA SER A 9 -3.617 -1.356 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.361 0.100 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.526 0.401 -3.260 1.00 0.00 H new ATOM 0 HG SER A 9 -5.314 2.215 -4.802 1.00 0.00 H new ATOM 170 N MET A 10 -3.197 -0.737 -7.281 1.00 0.00 N ATOM 171 CA MET A 10 -2.757 -0.564 -8.658 1.00 0.00 C ATOM 172 C MET A 10 -3.957 -0.692 -9.583 1.00 0.00 C ATOM 173 O MET A 10 -4.901 -1.420 -9.269 1.00 0.00 O ATOM 174 CB MET A 10 -1.738 -1.653 -8.982 1.00 0.00 C ATOM 175 CG MET A 10 -0.394 -1.452 -8.284 1.00 0.00 C ATOM 176 SD MET A 10 0.540 -0.024 -8.867 1.00 0.00 S ATOM 177 CE MET A 10 1.128 -0.733 -10.428 1.00 0.00 C ATOM 0 H MET A 10 -3.880 -1.487 -7.174 1.00 0.00 H new ATOM 0 HA MET A 10 -2.303 0.418 -8.792 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.148 -2.621 -8.694 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.579 -1.682 -10.060 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.567 -1.346 -7.213 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.211 -2.348 -8.422 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.876 -0.073 -10.869 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.573 -1.710 -10.239 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.290 -0.843 -11.116 1.00 0.00 H new ATOM 187 N ASP A 11 -3.917 0.020 -10.708 1.00 0.00 N ATOM 188 CA ASP A 11 -4.902 -0.071 -11.778 1.00 0.00 C ATOM 189 C ASP A 11 -4.466 -1.149 -12.764 1.00 0.00 C ATOM 190 O ASP A 11 -5.078 -2.212 -12.841 1.00 0.00 O ATOM 191 CB ASP A 11 -5.002 1.310 -12.460 1.00 0.00 C ATOM 192 CG ASP A 11 -6.353 1.612 -13.100 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.094 0.666 -13.427 1.00 0.00 O ATOM 194 OD2 ASP A 11 -6.662 2.821 -13.245 1.00 0.00 O ATOM 0 H ASP A 11 -3.177 0.694 -10.903 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.883 -0.345 -11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.786 2.081 -11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.230 1.378 -13.226 1.00 0.00 H new ATOM 199 N VAL A 12 -3.371 -0.916 -13.487 1.00 0.00 N ATOM 200 CA VAL A 12 -2.890 -1.764 -14.558 1.00 0.00 C ATOM 201 C VAL A 12 -1.383 -1.734 -14.345 1.00 0.00 C ATOM 202 O VAL A 12 -0.871 -2.551 -13.577 1.00 0.00 O ATOM 203 CB VAL A 12 -3.413 -1.247 -15.928 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.859 -2.040 -17.118 1.00 0.00 C ATOM 205 CG2 VAL A 12 -4.949 -1.302 -16.015 1.00 0.00 C ATOM 0 H VAL A 12 -2.779 -0.100 -13.331 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.243 -2.795 -14.556 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.063 -0.216 -15.985 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.260 -1.632 -18.046 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.772 -1.966 -17.130 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.151 -3.086 -17.026 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.272 -0.932 -16.988 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.284 -2.332 -15.889 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.380 -0.681 -15.230 1.00 0.00 H new ATOM 215 N ASP A 13 -0.705 -0.710 -14.866 1.00 0.00 N ATOM 216 CA ASP A 13 0.751 -0.619 -14.793 1.00 0.00 C ATOM 217 C ASP A 13 1.227 0.411 -13.767 1.00 0.00 C ATOM 218 O ASP A 13 2.419 0.484 -13.480 1.00 0.00 O ATOM 219 CB ASP A 13 1.335 -0.341 -16.193 1.00 0.00 C ATOM 220 CG ASP A 13 1.666 -1.624 -16.959 1.00 0.00 C ATOM 221 OD1 ASP A 13 0.775 -2.492 -17.097 1.00 0.00 O ATOM 222 OD2 ASP A 13 2.821 -1.760 -17.425 1.00 0.00 O ATOM 0 H ASP A 13 -1.147 0.073 -15.347 1.00 0.00 H new ATOM 0 HA ASP A 13 1.124 -1.582 -14.444 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.622 0.248 -16.770 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.238 0.261 -16.093 1.00 0.00 H new ATOM 227 N LYS A 14 0.316 1.195 -13.185 1.00 0.00 N ATOM 228 CA LYS A 14 0.607 2.257 -12.221 1.00 0.00 C ATOM 229 C LYS A 14 -0.528 2.376 -11.213 1.00 0.00 C ATOM 230 O LYS A 14 -1.533 1.659 -11.321 1.00 0.00 O ATOM 231 CB LYS A 14 0.868 3.577 -12.963 1.00 0.00 C ATOM 232 CG LYS A 14 -0.306 4.061 -13.835 1.00 0.00 C ATOM 233 CD LYS A 14 0.098 4.773 -15.134 1.00 0.00 C ATOM 234 CE LYS A 14 0.821 3.834 -16.105 1.00 0.00 C ATOM 235 NZ LYS A 14 1.297 4.544 -17.309 1.00 0.00 N ATOM 0 H LYS A 14 -0.681 1.103 -13.380 1.00 0.00 H new ATOM 0 HA LYS A 14 1.510 2.010 -11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.104 4.350 -12.232 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.748 3.456 -13.595 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.929 3.203 -14.088 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.922 4.739 -13.244 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.791 5.178 -15.617 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.745 5.618 -14.898 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.668 3.371 -15.599 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.148 3.030 -16.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.780 3.873 -17.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.487 4.965 -17.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.960 5.295 -17.030 1.00 0.00 H new ATOM 249 N ILE A 15 -0.371 3.273 -10.237 1.00 0.00 N ATOM 250 CA ILE A 15 -1.388 3.495 -9.214 1.00 0.00 C ATOM 251 C ILE A 15 -2.660 4.011 -9.919 1.00 0.00 C ATOM 252 O ILE A 15 -2.564 4.789 -10.874 1.00 0.00 O ATOM 253 CB ILE A 15 -0.830 4.457 -8.134 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.513 3.950 -7.541 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.843 4.607 -6.979 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.326 5.034 -6.826 1.00 0.00 C ATOM 0 H ILE A 15 0.457 3.859 -10.136 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.653 2.578 -8.687 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.659 5.416 -8.623 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.307 3.142 -6.839 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.117 3.528 -8.344 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.440 5.285 -6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.779 5.010 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.027 3.632 -6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.249 4.601 -6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.565 5.832 -7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.743 5.441 -6.000 1.00 0.00 H new ATOM 268 N SER A 16 -3.844 3.574 -9.478 1.00 0.00 N ATOM 269 CA SER A 16 -5.140 4.091 -9.897 1.00 0.00 C ATOM 270 C SER A 16 -5.274 5.491 -9.284 1.00 0.00 C ATOM 271 O SER A 16 -4.837 6.474 -9.891 1.00 0.00 O ATOM 272 CB SER A 16 -6.277 3.120 -9.457 1.00 0.00 C ATOM 273 OG SER A 16 -7.573 3.664 -9.589 1.00 0.00 O ATOM 0 H SER A 16 -3.923 2.822 -8.794 1.00 0.00 H new ATOM 0 HA SER A 16 -5.221 4.164 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.214 2.208 -10.051 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.117 2.835 -8.417 1.00 0.00 H new ATOM 0 HG SER A 16 -8.236 3.004 -9.298 1.00 0.00 H new ATOM 279 N ASN A 17 -5.768 5.571 -8.043 1.00 0.00 N ATOM 280 CA ASN A 17 -6.215 6.795 -7.375 1.00 0.00 C ATOM 281 C ASN A 17 -6.836 6.511 -6.022 1.00 0.00 C ATOM 282 O ASN A 17 -6.761 7.381 -5.163 1.00 0.00 O ATOM 283 CB ASN A 17 -7.303 7.493 -8.217 1.00 0.00 C ATOM 284 CG ASN A 17 -7.919 8.708 -7.530 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.219 9.641 -7.154 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.241 8.765 -7.438 1.00 0.00 N ATOM 0 H ASN A 17 -5.871 4.746 -7.452 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.329 7.419 -7.256 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.871 7.804 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.091 6.775 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.690 9.594 -7.050 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.809 7.979 -7.756 1.00 0.00 H new ATOM 293 N SER A 18 -7.430 5.338 -5.800 1.00 0.00 N ATOM 294 CA SER A 18 -7.972 5.021 -4.485 1.00 0.00 C ATOM 295 C SER A 18 -7.751 3.546 -4.150 1.00 0.00 C ATOM 296 O SER A 18 -7.412 2.732 -5.012 1.00 0.00 O ATOM 297 CB SER A 18 -9.440 5.493 -4.353 1.00 0.00 C ATOM 298 OG SER A 18 -9.937 6.196 -5.478 1.00 0.00 O ATOM 0 H SER A 18 -7.545 4.606 -6.501 1.00 0.00 H new ATOM 0 HA SER A 18 -7.425 5.582 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.073 4.623 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.524 6.133 -3.475 1.00 0.00 H new ATOM 0 HG SER A 18 -10.868 6.457 -5.316 1.00 0.00 H new ATOM 304 N PHE A 19 -7.907 3.191 -2.875 1.00 0.00 N ATOM 305 CA PHE A 19 -7.945 1.811 -2.407 1.00 0.00 C ATOM 306 C PHE A 19 -9.204 1.145 -2.966 1.00 0.00 C ATOM 307 O PHE A 19 -9.197 -0.028 -3.325 1.00 0.00 O ATOM 308 CB PHE A 19 -7.966 1.827 -0.868 1.00 0.00 C ATOM 309 CG PHE A 19 -7.901 0.462 -0.199 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.074 -0.291 0.001 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.671 -0.054 0.252 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.007 -1.544 0.634 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.603 -1.309 0.879 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.773 -2.056 1.074 1.00 0.00 C ATOM 0 H PHE A 19 -8.013 3.873 -2.124 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.073 1.250 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.125 2.425 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.875 2.331 -0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.026 0.095 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.768 0.523 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.910 -2.118 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.651 -1.698 1.210 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.727 -3.020 1.560 1.00 0.00 H new ATOM 324 N GLU A 20 -10.296 1.904 -3.028 1.00 0.00 N ATOM 325 CA GLU A 20 -11.631 1.433 -3.352 1.00 0.00 C ATOM 326 C GLU A 20 -11.938 1.474 -4.857 1.00 0.00 C ATOM 327 O GLU A 20 -13.041 1.104 -5.250 1.00 0.00 O ATOM 328 CB GLU A 20 -12.625 2.264 -2.519 1.00 0.00 C ATOM 329 CG GLU A 20 -13.361 1.455 -1.447 1.00 0.00 C ATOM 330 CD GLU A 20 -14.845 1.289 -1.743 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.209 0.448 -2.587 1.00 0.00 O ATOM 332 OE2 GLU A 20 -15.661 1.959 -1.062 1.00 0.00 O ATOM 0 H GLU A 20 -10.268 2.907 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.719 0.377 -3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.087 3.082 -2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.358 2.714 -3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.901 0.471 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.241 1.947 -0.482 1.00 0.00 H new ATOM 339 N ASP A 21 -10.983 1.900 -5.690 1.00 0.00 N ATOM 340 CA ASP A 21 -11.127 2.018 -7.153 1.00 0.00 C ATOM 341 C ASP A 21 -10.028 1.251 -7.895 1.00 0.00 C ATOM 342 O ASP A 21 -10.045 1.138 -9.122 1.00 0.00 O ATOM 343 CB ASP A 21 -11.064 3.504 -7.549 1.00 0.00 C ATOM 344 CG ASP A 21 -12.267 3.965 -8.364 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.389 3.589 -9.547 1.00 0.00 O ATOM 346 OD2 ASP A 21 -13.018 4.818 -7.822 1.00 0.00 O ATOM 0 H ASP A 21 -10.060 2.182 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.088 1.586 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.992 4.110 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.155 3.681 -8.124 1.00 0.00 H new ATOM 351 N CYS A 22 -9.045 0.741 -7.147 1.00 0.00 N ATOM 352 CA CYS A 22 -7.970 -0.063 -7.687 1.00 0.00 C ATOM 353 C CYS A 22 -8.512 -1.371 -8.225 1.00 0.00 C ATOM 354 O CYS A 22 -9.649 -1.780 -7.995 1.00 0.00 O ATOM 355 CB CYS A 22 -6.889 -0.283 -6.614 1.00 0.00 C ATOM 356 SG CYS A 22 -7.373 -1.517 -5.372 1.00 0.00 S ATOM 0 H CYS A 22 -8.982 0.883 -6.139 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.505 0.463 -8.521 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.965 -0.602 -7.096 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.679 0.664 -6.117 1.00 0.00 H new ATOM 0 HG CYS A 22 -8.138 -0.959 -4.481 1.00 0.00 H new ATOM 362 N LYS A 23 -7.620 -2.042 -8.925 1.00 0.00 N ATOM 363 CA LYS A 23 -7.879 -3.297 -9.582 1.00 0.00 C ATOM 364 C LYS A 23 -7.058 -4.413 -8.970 1.00 0.00 C ATOM 365 O LYS A 23 -7.404 -5.577 -9.165 1.00 0.00 O ATOM 366 CB LYS A 23 -7.552 -3.100 -11.062 1.00 0.00 C ATOM 367 CG LYS A 23 -8.804 -3.041 -11.944 1.00 0.00 C ATOM 368 CD LYS A 23 -9.634 -4.339 -11.983 1.00 0.00 C ATOM 369 CE LYS A 23 -9.175 -5.345 -13.055 1.00 0.00 C ATOM 370 NZ LYS A 23 -10.178 -6.418 -13.281 1.00 0.00 N ATOM 0 H LYS A 23 -6.663 -1.713 -9.054 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.922 -3.591 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.983 -2.178 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.913 -3.916 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.441 -2.230 -11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.502 -2.789 -12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.586 -4.818 -11.005 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.679 -4.085 -12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.992 -4.818 -13.991 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.229 -5.792 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.828 -7.072 -14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.335 -6.939 -12.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.074 -5.995 -13.597 1.00 0.00 H new ATOM 384 N TYR A 24 -5.979 -4.095 -8.255 1.00 0.00 N ATOM 385 CA TYR A 24 -5.218 -5.063 -7.498 1.00 0.00 C ATOM 386 C TYR A 24 -4.353 -4.388 -6.446 1.00 0.00 C ATOM 387 O TYR A 24 -4.216 -3.166 -6.418 1.00 0.00 O ATOM 388 CB TYR A 24 -4.384 -5.939 -8.442 1.00 0.00 C ATOM 389 CG TYR A 24 -3.233 -5.299 -9.175 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.474 -4.521 -10.323 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.913 -5.598 -8.792 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.383 -4.082 -11.097 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.827 -5.124 -9.519 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.053 -4.387 -10.706 1.00 0.00 C ATOM 395 OH TYR A 24 0.002 -4.003 -11.474 1.00 0.00 O ATOM 0 H TYR A 24 -5.613 -3.145 -8.191 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.916 -5.709 -6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.987 -6.771 -7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.058 -6.363 -9.186 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.484 -4.264 -10.607 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.740 -6.207 -7.917 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.559 -3.509 -11.995 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.181 -5.316 -9.181 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.316 -3.431 -12.204 1.00 0.00 H new ATOM 405 N PHE A 25 -3.750 -5.219 -5.604 1.00 0.00 N ATOM 406 CA PHE A 25 -2.870 -4.875 -4.514 1.00 0.00 C ATOM 407 C PHE A 25 -1.520 -5.485 -4.843 1.00 0.00 C ATOM 408 O PHE A 25 -1.334 -6.704 -4.773 1.00 0.00 O ATOM 409 CB PHE A 25 -3.445 -5.415 -3.202 1.00 0.00 C ATOM 410 CG PHE A 25 -4.824 -4.869 -2.911 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.968 -3.498 -2.641 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.957 -5.704 -2.971 1.00 0.00 C ATOM 413 CE1 PHE A 25 -6.242 -2.963 -2.385 1.00 0.00 C ATOM 414 CE2 PHE A 25 -7.232 -5.164 -2.725 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.374 -3.797 -2.425 1.00 0.00 C ATOM 0 H PHE A 25 -3.880 -6.228 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.766 -3.797 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.490 -6.503 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.775 -5.159 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.100 -2.855 -2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.847 -6.753 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.352 -1.913 -2.158 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.104 -5.800 -2.766 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.353 -3.387 -2.225 1.00 0.00 H new ATOM 425 N LEU A 26 -0.595 -4.639 -5.283 1.00 0.00 N ATOM 426 CA LEU A 26 0.802 -4.987 -5.451 1.00 0.00 C ATOM 427 C LEU A 26 1.461 -4.999 -4.069 1.00 0.00 C ATOM 428 O LEU A 26 1.758 -3.956 -3.488 1.00 0.00 O ATOM 429 CB LEU A 26 1.452 -4.051 -6.484 1.00 0.00 C ATOM 430 CG LEU A 26 2.785 -4.505 -7.120 1.00 0.00 C ATOM 431 CD1 LEU A 26 2.929 -6.024 -7.262 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.875 -3.952 -8.546 1.00 0.00 C ATOM 0 H LEU A 26 -0.805 -3.674 -5.537 1.00 0.00 H new ATOM 0 HA LEU A 26 0.934 -5.987 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.734 -3.888 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.619 -3.086 -6.005 1.00 0.00 H new ATOM 0 HG LEU A 26 3.562 -4.137 -6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.892 -6.257 -7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.870 -6.489 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.127 -6.408 -7.893 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.814 -4.269 -9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.040 -4.330 -9.136 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.835 -2.863 -8.517 1.00 0.00 H new ATOM 444 N ILE A 27 1.602 -6.197 -3.509 1.00 0.00 N ATOM 445 CA ILE A 27 2.258 -6.528 -2.258 1.00 0.00 C ATOM 446 C ILE A 27 3.757 -6.371 -2.516 1.00 0.00 C ATOM 447 O ILE A 27 4.359 -7.218 -3.171 1.00 0.00 O ATOM 448 CB ILE A 27 1.842 -7.964 -1.827 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.305 -8.165 -1.826 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.427 -8.435 -0.487 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.501 -7.004 -1.217 1.00 0.00 C ATOM 0 H ILE A 27 1.226 -7.030 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 27 1.972 -5.878 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 27 2.286 -8.594 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.027 -8.319 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.073 -9.077 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.080 -9.446 -0.274 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.516 -8.429 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.101 -7.764 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.565 -7.237 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.204 -6.860 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.306 -6.091 -1.780 1.00 0.00 H new ATOM 463 N VAL A 28 4.347 -5.270 -2.062 1.00 0.00 N ATOM 464 CA VAL A 28 5.780 -5.014 -2.105 1.00 0.00 C ATOM 465 C VAL A 28 6.326 -5.426 -0.745 1.00 0.00 C ATOM 466 O VAL A 28 5.989 -4.781 0.247 1.00 0.00 O ATOM 467 CB VAL A 28 6.050 -3.514 -2.363 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.525 -3.256 -2.689 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.216 -2.952 -3.513 1.00 0.00 C ATOM 0 H VAL A 28 3.821 -4.505 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 28 6.260 -5.572 -2.910 1.00 0.00 H new ATOM 0 HB VAL A 28 5.770 -3.011 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.678 -2.191 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.144 -3.578 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.803 -3.815 -3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.448 -1.895 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.448 -3.494 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.157 -3.065 -3.283 1.00 0.00 H new ATOM 479 N ARG A 29 7.133 -6.485 -0.650 1.00 0.00 N ATOM 480 CA ARG A 29 7.851 -6.787 0.589 1.00 0.00 C ATOM 481 C ARG A 29 9.284 -6.294 0.449 1.00 0.00 C ATOM 482 O ARG A 29 9.874 -6.402 -0.630 1.00 0.00 O ATOM 483 CB ARG A 29 7.666 -8.259 0.999 1.00 0.00 C ATOM 484 CG ARG A 29 8.709 -9.250 0.520 1.00 0.00 C ATOM 485 CD ARG A 29 9.821 -9.504 1.553 1.00 0.00 C ATOM 486 NE ARG A 29 10.495 -10.794 1.333 1.00 0.00 N ATOM 487 CZ ARG A 29 11.182 -11.491 2.248 1.00 0.00 C ATOM 488 NH1 ARG A 29 11.353 -11.063 3.494 1.00 0.00 N ATOM 489 NH2 ARG A 29 11.711 -12.652 1.906 1.00 0.00 N ATOM 0 H ARG A 29 7.305 -7.143 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 29 7.433 -6.248 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.632 -8.304 2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.693 -8.591 0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.221 -10.195 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.156 -8.880 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.554 -8.699 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.395 -9.484 2.556 1.00 0.00 H new ATOM 0 HE ARG A 29 10.433 -11.194 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.954 -10.171 3.786 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.884 -11.626 4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.594 -13.006 0.957 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.237 -13.194 2.591 1.00 0.00 H new ATOM 503 N ILE A 30 9.826 -5.731 1.521 1.00 0.00 N ATOM 504 CA ILE A 30 11.080 -4.993 1.550 1.00 0.00 C ATOM 505 C ILE A 30 11.834 -5.551 2.743 1.00 0.00 C ATOM 506 O ILE A 30 11.304 -5.589 3.854 1.00 0.00 O ATOM 507 CB ILE A 30 10.781 -3.479 1.673 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.210 -2.890 0.366 1.00 0.00 C ATOM 509 CG2 ILE A 30 11.986 -2.644 2.143 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.227 -1.759 0.683 1.00 0.00 C ATOM 0 H ILE A 30 9.381 -5.779 2.437 1.00 0.00 H new ATOM 0 HA ILE A 30 11.677 -5.103 0.645 1.00 0.00 H new ATOM 0 HB ILE A 30 10.021 -3.411 2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.021 -2.513 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.706 -3.671 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.699 -1.594 2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.308 -2.991 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 30 12.805 -2.755 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.830 -1.351 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.408 -2.148 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.743 -0.972 1.234 1.00 0.00 H new ATOM 522 N ASP A 31 13.036 -6.048 2.488 1.00 0.00 N ATOM 523 CA ASP A 31 13.747 -6.899 3.444 1.00 0.00 C ATOM 524 C ASP A 31 15.254 -6.653 3.461 1.00 0.00 C ATOM 525 O ASP A 31 16.009 -7.319 4.173 1.00 0.00 O ATOM 526 CB ASP A 31 13.418 -8.358 3.143 1.00 0.00 C ATOM 527 CG ASP A 31 13.686 -9.238 4.352 1.00 0.00 C ATOM 528 OD1 ASP A 31 13.026 -8.990 5.386 1.00 0.00 O ATOM 529 OD2 ASP A 31 14.433 -10.229 4.196 1.00 0.00 O ATOM 0 H ASP A 31 13.546 -5.877 1.621 1.00 0.00 H new ATOM 0 HA ASP A 31 13.406 -6.643 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.372 -8.445 2.850 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.015 -8.702 2.299 1.00 0.00 H new ATOM 534 N ASP A 32 15.690 -5.663 2.683 1.00 0.00 N ATOM 535 CA ASP A 32 16.934 -4.947 2.924 1.00 0.00 C ATOM 536 C ASP A 32 16.852 -3.555 2.312 1.00 0.00 C ATOM 537 O ASP A 32 17.577 -3.197 1.385 1.00 0.00 O ATOM 538 CB ASP A 32 18.172 -5.722 2.447 1.00 0.00 C ATOM 539 CG ASP A 32 19.461 -5.155 3.049 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.395 -4.414 4.059 1.00 0.00 O ATOM 541 OD2 ASP A 32 20.550 -5.606 2.641 1.00 0.00 O ATOM 0 H ASP A 32 15.182 -5.335 1.861 1.00 0.00 H new ATOM 0 HA ASP A 32 17.060 -4.846 4.002 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.073 -6.772 2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.230 -5.682 1.359 1.00 0.00 H new ATOM 546 N ASN A 33 15.880 -2.779 2.799 1.00 0.00 N ATOM 547 CA ASN A 33 15.619 -1.388 2.408 1.00 0.00 C ATOM 548 C ASN A 33 15.269 -1.193 0.924 1.00 0.00 C ATOM 549 O ASN A 33 15.126 -0.067 0.470 1.00 0.00 O ATOM 550 CB ASN A 33 16.803 -0.519 2.858 1.00 0.00 C ATOM 551 CG ASN A 33 16.431 0.907 3.207 1.00 0.00 C ATOM 552 OD1 ASN A 33 15.574 1.078 4.204 1.00 0.00 O flip ATOM 553 ND2 ASN A 33 16.995 1.850 2.670 1.00 0.00 N flip ATOM 0 H ASN A 33 15.226 -3.115 3.506 1.00 0.00 H new ATOM 0 HA ASN A 33 14.711 -1.067 2.919 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.270 -0.983 3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.550 -0.504 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 33 17.649 1.685 1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 33 16.811 2.802 2.987 1.00 0.00 H new ATOM 560 N GLU A 34 15.092 -2.292 0.196 1.00 0.00 N ATOM 561 CA GLU A 34 14.845 -2.472 -1.216 1.00 0.00 C ATOM 562 C GLU A 34 13.735 -3.515 -1.341 1.00 0.00 C ATOM 563 O GLU A 34 13.559 -4.362 -0.455 1.00 0.00 O ATOM 564 CB GLU A 34 16.169 -2.989 -1.783 1.00 0.00 C ATOM 565 CG GLU A 34 16.146 -3.629 -3.165 1.00 0.00 C ATOM 566 CD GLU A 34 17.549 -4.094 -3.574 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.272 -4.641 -2.708 1.00 0.00 O ATOM 568 OE2 GLU A 34 17.926 -3.993 -4.758 1.00 0.00 O ATOM 0 H GLU A 34 15.125 -3.200 0.659 1.00 0.00 H new ATOM 0 HA GLU A 34 14.533 -1.571 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.870 -2.155 -1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.571 -3.720 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.462 -4.478 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.768 -2.914 -3.896 1.00 0.00 H new ATOM 575 N VAL A 35 13.007 -3.470 -2.452 1.00 0.00 N ATOM 576 CA VAL A 35 11.948 -4.416 -2.788 1.00 0.00 C ATOM 577 C VAL A 35 12.572 -5.782 -3.073 1.00 0.00 C ATOM 578 O VAL A 35 13.456 -5.895 -3.921 1.00 0.00 O ATOM 579 CB VAL A 35 11.077 -3.878 -3.947 1.00 0.00 C ATOM 580 CG1 VAL A 35 11.859 -3.322 -5.149 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.082 -4.947 -4.431 1.00 0.00 C ATOM 0 H VAL A 35 13.141 -2.753 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 35 11.267 -4.538 -1.946 1.00 0.00 H new ATOM 0 HB VAL A 35 10.547 -3.029 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.159 -2.970 -5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.487 -2.493 -4.822 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.485 -4.108 -5.571 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.482 -4.543 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.630 -5.821 -4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.428 -5.235 -3.608 1.00 0.00 H new ATOM 591 N LYS A 36 12.117 -6.820 -2.363 1.00 0.00 N ATOM 592 CA LYS A 36 12.664 -8.173 -2.464 1.00 0.00 C ATOM 593 C LYS A 36 11.682 -9.155 -3.093 1.00 0.00 C ATOM 594 O LYS A 36 12.105 -10.056 -3.816 1.00 0.00 O ATOM 595 CB LYS A 36 13.138 -8.659 -1.083 1.00 0.00 C ATOM 596 CG LYS A 36 14.202 -7.769 -0.410 1.00 0.00 C ATOM 597 CD LYS A 36 15.340 -7.399 -1.354 1.00 0.00 C ATOM 598 CE LYS A 36 16.643 -7.033 -0.644 1.00 0.00 C ATOM 599 NZ LYS A 36 17.758 -7.027 -1.608 1.00 0.00 N ATOM 0 H LYS A 36 11.350 -6.741 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 36 13.523 -8.131 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.274 -8.729 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.542 -9.666 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.729 -6.858 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.609 -8.289 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.527 -8.236 -2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.026 -6.558 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.549 -6.052 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.845 -7.748 0.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.576 -7.521 -1.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.465 -7.511 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.021 -6.045 -1.828 1.00 0.00 H new ATOM 613 N SER A 37 10.380 -8.990 -2.845 1.00 0.00 N ATOM 614 CA SER A 37 9.353 -9.770 -3.513 1.00 0.00 C ATOM 615 C SER A 37 8.194 -8.840 -3.829 1.00 0.00 C ATOM 616 O SER A 37 7.747 -8.101 -2.947 1.00 0.00 O ATOM 617 CB SER A 37 8.914 -10.930 -2.607 1.00 0.00 C ATOM 618 OG SER A 37 9.545 -12.134 -2.992 1.00 0.00 O ATOM 0 H SER A 37 10.016 -8.312 -2.176 1.00 0.00 H new ATOM 0 HA SER A 37 9.729 -10.204 -4.440 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.160 -10.701 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.832 -11.049 -2.659 1.00 0.00 H new ATOM 0 HG SER A 37 9.253 -12.860 -2.401 1.00 0.00 H new ATOM 624 N THR A 38 7.706 -8.879 -5.067 1.00 0.00 N ATOM 625 CA THR A 38 6.398 -8.358 -5.428 1.00 0.00 C ATOM 626 C THR A 38 5.387 -9.508 -5.448 1.00 0.00 C ATOM 627 O THR A 38 5.749 -10.659 -5.733 1.00 0.00 O ATOM 628 CB THR A 38 6.459 -7.662 -6.799 1.00 0.00 C ATOM 629 OG1 THR A 38 7.215 -8.415 -7.732 1.00 0.00 O ATOM 630 CG2 THR A 38 7.046 -6.253 -6.698 1.00 0.00 C ATOM 0 H THR A 38 8.217 -9.279 -5.854 1.00 0.00 H new ATOM 0 HA THR A 38 6.084 -7.619 -4.691 1.00 0.00 H new ATOM 0 HB THR A 38 5.430 -7.589 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.233 -7.947 -8.593 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.071 -5.797 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.427 -5.648 -6.036 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.059 -6.308 -6.298 1.00 0.00 H new ATOM 638 N LYS A 39 4.109 -9.190 -5.243 1.00 0.00 N ATOM 639 CA LYS A 39 2.964 -10.069 -5.452 1.00 0.00 C ATOM 640 C LYS A 39 1.829 -9.208 -5.952 1.00 0.00 C ATOM 641 O LYS A 39 1.651 -8.122 -5.425 1.00 0.00 O ATOM 642 CB LYS A 39 2.476 -10.622 -4.108 1.00 0.00 C ATOM 643 CG LYS A 39 2.386 -12.129 -4.064 1.00 0.00 C ATOM 644 CD LYS A 39 3.666 -12.647 -3.406 1.00 0.00 C ATOM 645 CE LYS A 39 4.226 -13.848 -4.158 1.00 0.00 C ATOM 646 NZ LYS A 39 3.416 -15.071 -4.006 1.00 0.00 N ATOM 0 H LYS A 39 3.833 -8.266 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 39 3.246 -10.872 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.150 -10.285 -3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.494 -10.202 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.509 -12.444 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.280 -12.536 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.411 -11.852 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.460 -12.926 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.300 -13.601 -5.217 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.238 -14.047 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.854 -15.847 -4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.365 -15.331 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.456 -14.899 -4.368 1.00 0.00 H new ATOM 660 N VAL A 40 0.957 -9.728 -6.786 1.00 0.00 N ATOM 661 CA VAL A 40 -0.397 -9.285 -6.970 1.00 0.00 C ATOM 662 C VAL A 40 -1.471 -10.206 -6.387 1.00 0.00 C ATOM 663 O VAL A 40 -1.395 -11.433 -6.496 1.00 0.00 O ATOM 664 CB VAL A 40 -0.513 -8.693 -8.357 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.139 -9.281 -9.587 1.00 0.00 C ATOM 666 CG2 VAL A 40 -2.001 -8.653 -8.774 1.00 0.00 C ATOM 0 H VAL A 40 1.193 -10.518 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.660 -8.453 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 40 0.040 -7.776 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.100 -8.666 -10.455 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.220 -9.309 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.232 -10.293 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.087 -8.227 -9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.406 -9.665 -8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.560 -8.039 -8.068 1.00 0.00 H new ATOM 676 N ILE A 41 -2.423 -9.556 -5.708 1.00 0.00 N ATOM 677 CA ILE A 41 -3.709 -10.051 -5.247 1.00 0.00 C ATOM 678 C ILE A 41 -4.699 -9.077 -5.893 1.00 0.00 C ATOM 679 O ILE A 41 -4.554 -7.870 -5.685 1.00 0.00 O ATOM 680 CB ILE A 41 -3.771 -9.952 -3.702 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.607 -10.686 -2.998 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.129 -10.454 -3.182 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.574 -10.410 -1.492 1.00 0.00 C ATOM 0 H ILE A 41 -2.292 -8.579 -5.447 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.908 -11.091 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.662 -8.896 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.701 -11.759 -3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.662 -10.375 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.154 -10.377 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.928 -9.847 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.269 -11.495 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.739 -10.947 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.452 -9.341 -1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.507 -10.745 -1.040 1.00 0.00 H new ATOM 695 N PHE A 42 -5.652 -9.545 -6.699 1.00 0.00 N ATOM 696 CA PHE A 42 -6.618 -8.637 -7.313 1.00 0.00 C ATOM 697 C PHE A 42 -7.519 -7.984 -6.253 1.00 0.00 C ATOM 698 O PHE A 42 -7.660 -8.484 -5.133 1.00 0.00 O ATOM 699 CB PHE A 42 -7.483 -9.402 -8.321 1.00 0.00 C ATOM 700 CG PHE A 42 -6.740 -9.842 -9.563 1.00 0.00 C ATOM 701 CD1 PHE A 42 -6.155 -8.874 -10.398 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.659 -11.203 -9.906 1.00 0.00 C ATOM 703 CE1 PHE A 42 -5.456 -9.257 -11.551 1.00 0.00 C ATOM 704 CE2 PHE A 42 -6.032 -11.580 -11.106 1.00 0.00 C ATOM 705 CZ PHE A 42 -5.422 -10.610 -11.921 1.00 0.00 C ATOM 0 H PHE A 42 -5.775 -10.529 -6.938 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.064 -7.850 -7.825 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.902 -10.281 -7.831 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.322 -8.771 -8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.245 -7.827 -10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.076 -11.954 -9.251 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.947 -8.516 -12.150 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.019 -12.618 -11.403 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.926 -10.907 -12.833 1.00 0.00 H new ATOM 715 N ASN A 43 -8.153 -6.874 -6.634 1.00 0.00 N ATOM 716 CA ASN A 43 -9.243 -6.267 -5.888 1.00 0.00 C ATOM 717 C ASN A 43 -10.498 -7.054 -6.259 1.00 0.00 C ATOM 718 O ASN A 43 -10.996 -6.913 -7.370 1.00 0.00 O ATOM 719 CB ASN A 43 -9.369 -4.774 -6.230 1.00 0.00 C ATOM 720 CG ASN A 43 -10.434 -4.088 -5.384 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.744 -4.536 -4.278 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.975 -2.980 -5.851 1.00 0.00 N ATOM 0 H ASN A 43 -7.915 -6.367 -7.486 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.074 -6.309 -4.812 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.409 -4.283 -6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.616 -4.662 -7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.665 -2.475 -5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.704 -2.627 -6.769 1.00 0.00 H new ATOM 729 N ASP A 44 -10.905 -7.982 -5.394 1.00 0.00 N ATOM 730 CA ASP A 44 -11.903 -9.024 -5.668 1.00 0.00 C ATOM 731 C ASP A 44 -12.546 -9.445 -4.337 1.00 0.00 C ATOM 732 O ASP A 44 -12.768 -10.625 -4.077 1.00 0.00 O ATOM 733 CB ASP A 44 -11.228 -10.221 -6.374 1.00 0.00 C ATOM 734 CG ASP A 44 -11.330 -10.223 -7.898 1.00 0.00 C ATOM 735 OD1 ASP A 44 -12.406 -9.910 -8.465 1.00 0.00 O ATOM 736 OD2 ASP A 44 -10.413 -10.779 -8.540 1.00 0.00 O ATOM 0 H ASP A 44 -10.536 -8.034 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.681 -8.646 -6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.174 -10.238 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.672 -11.142 -5.996 1.00 0.00 H new ATOM 741 N GLU A 45 -12.774 -8.475 -3.449 1.00 0.00 N ATOM 742 CA GLU A 45 -13.279 -8.578 -2.075 1.00 0.00 C ATOM 743 C GLU A 45 -12.374 -9.420 -1.170 1.00 0.00 C ATOM 744 O GLU A 45 -11.760 -8.892 -0.245 1.00 0.00 O ATOM 745 CB GLU A 45 -14.737 -9.054 -2.046 1.00 0.00 C ATOM 746 CG GLU A 45 -15.278 -9.098 -0.605 1.00 0.00 C ATOM 747 CD GLU A 45 -16.719 -9.592 -0.528 1.00 0.00 C ATOM 748 OE1 GLU A 45 -17.056 -10.592 -1.202 1.00 0.00 O ATOM 749 OE2 GLU A 45 -17.520 -8.989 0.217 1.00 0.00 O ATOM 0 H GLU A 45 -12.592 -7.502 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.259 -7.571 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.353 -8.386 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.808 -10.045 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.643 -9.749 -0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.217 -8.101 -0.169 1.00 0.00 H new ATOM 756 N SER A 46 -12.257 -10.728 -1.403 1.00 0.00 N ATOM 757 CA SER A 46 -11.355 -11.595 -0.658 1.00 0.00 C ATOM 758 C SER A 46 -9.886 -11.176 -0.848 1.00 0.00 C ATOM 759 O SER A 46 -9.043 -11.615 -0.064 1.00 0.00 O ATOM 760 CB SER A 46 -11.601 -13.062 -1.027 1.00 0.00 C ATOM 761 OG SER A 46 -10.895 -13.920 -0.148 1.00 0.00 O ATOM 0 H SER A 46 -12.792 -11.216 -2.121 1.00 0.00 H new ATOM 0 HA SER A 46 -11.567 -11.486 0.406 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.668 -13.281 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.284 -13.243 -2.054 1.00 0.00 H new ATOM 0 HG SER A 46 -10.081 -13.472 0.163 1.00 0.00 H new ATOM 767 N GLY A 47 -9.581 -10.274 -1.788 1.00 0.00 N ATOM 768 CA GLY A 47 -8.348 -9.508 -1.782 1.00 0.00 C ATOM 769 C GLY A 47 -8.128 -8.877 -0.407 1.00 0.00 C ATOM 770 O GLY A 47 -7.163 -9.213 0.276 1.00 0.00 O ATOM 0 H GLY A 47 -10.193 -10.060 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.507 -10.155 -2.032 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.390 -8.731 -2.545 1.00 0.00 H new ATOM 774 N LYS A 48 -9.054 -8.026 0.046 1.00 0.00 N ATOM 775 CA LYS A 48 -8.980 -7.341 1.338 1.00 0.00 C ATOM 776 C LYS A 48 -8.963 -8.314 2.509 1.00 0.00 C ATOM 777 O LYS A 48 -8.449 -7.948 3.569 1.00 0.00 O ATOM 778 CB LYS A 48 -10.182 -6.397 1.511 1.00 0.00 C ATOM 779 CG LYS A 48 -10.172 -5.202 0.548 1.00 0.00 C ATOM 780 CD LYS A 48 -11.580 -4.624 0.354 1.00 0.00 C ATOM 781 CE LYS A 48 -12.147 -4.004 1.637 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.564 -3.618 1.483 1.00 0.00 N ATOM 0 H LYS A 48 -9.892 -7.790 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.046 -6.780 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.102 -6.963 1.364 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.197 -6.026 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.510 -4.427 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.770 -5.514 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.553 -3.867 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.248 -5.414 0.011 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.052 -4.716 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.559 -3.127 1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.726 -2.699 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.796 -3.544 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.170 -4.338 1.926 1.00 0.00 H new ATOM 796 N LYS A 49 -9.531 -9.522 2.387 1.00 0.00 N ATOM 797 CA LYS A 49 -9.360 -10.536 3.415 1.00 0.00 C ATOM 798 C LYS A 49 -7.892 -10.928 3.480 1.00 0.00 C ATOM 799 O LYS A 49 -7.313 -10.889 4.563 1.00 0.00 O ATOM 800 CB LYS A 49 -10.200 -11.782 3.131 1.00 0.00 C ATOM 801 CG LYS A 49 -11.687 -11.632 3.455 1.00 0.00 C ATOM 802 CD LYS A 49 -12.349 -13.000 3.269 1.00 0.00 C ATOM 803 CE LYS A 49 -13.813 -12.969 3.687 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.432 -14.297 3.522 1.00 0.00 N ATOM 0 H LYS A 49 -10.104 -9.810 1.594 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.693 -10.117 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.095 -12.043 2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.798 -12.615 3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.821 -11.279 4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.148 -10.893 2.800 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.273 -13.304 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.816 -13.747 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.892 -12.652 4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.352 -12.235 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.430 -14.254 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.374 -14.585 2.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.929 -14.990 4.112 1.00 0.00 H new ATOM 818 N SER A 50 -7.320 -11.298 2.335 1.00 0.00 N ATOM 819 CA SER A 50 -5.957 -11.766 2.215 1.00 0.00 C ATOM 820 C SER A 50 -4.994 -10.754 2.840 1.00 0.00 C ATOM 821 O SER A 50 -4.118 -11.161 3.605 1.00 0.00 O ATOM 822 CB SER A 50 -5.665 -12.051 0.733 1.00 0.00 C ATOM 823 OG SER A 50 -4.607 -12.973 0.586 1.00 0.00 O ATOM 0 H SER A 50 -7.815 -11.276 1.443 1.00 0.00 H new ATOM 0 HA SER A 50 -5.814 -12.696 2.765 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.561 -12.443 0.253 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.412 -11.121 0.225 1.00 0.00 H new ATOM 0 HG SER A 50 -4.445 -13.136 -0.367 1.00 0.00 H new ATOM 829 N ILE A 51 -5.145 -9.452 2.558 1.00 0.00 N ATOM 830 CA ILE A 51 -4.245 -8.398 3.047 1.00 0.00 C ATOM 831 C ILE A 51 -4.042 -8.518 4.570 1.00 0.00 C ATOM 832 O ILE A 51 -2.926 -8.410 5.083 1.00 0.00 O ATOM 833 CB ILE A 51 -4.800 -7.003 2.653 1.00 0.00 C ATOM 834 CG1 ILE A 51 -4.903 -6.800 1.125 1.00 0.00 C ATOM 835 CG2 ILE A 51 -3.901 -5.889 3.191 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.505 -5.448 0.718 1.00 0.00 C ATOM 0 H ILE A 51 -5.905 -9.097 1.977 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.268 -8.519 2.579 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.798 -6.959 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.908 -6.890 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.511 -7.600 0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.310 -4.921 2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.853 -5.953 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.899 -5.998 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.545 -5.380 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.513 -5.362 1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.886 -4.641 1.110 1.00 0.00 H new ATOM 848 N VAL A 52 -5.121 -8.770 5.315 1.00 0.00 N ATOM 849 CA VAL A 52 -5.105 -8.841 6.774 1.00 0.00 C ATOM 850 C VAL A 52 -4.223 -9.987 7.281 1.00 0.00 C ATOM 851 O VAL A 52 -3.764 -9.936 8.423 1.00 0.00 O ATOM 852 CB VAL A 52 -6.564 -8.949 7.268 1.00 0.00 C ATOM 853 CG1 VAL A 52 -6.704 -9.210 8.772 1.00 0.00 C ATOM 854 CG2 VAL A 52 -7.320 -7.664 6.908 1.00 0.00 C ATOM 0 H VAL A 52 -6.044 -8.933 4.913 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.657 -7.936 7.184 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.989 -9.818 6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.760 -9.272 9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.212 -10.149 9.026 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.240 -8.395 9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.350 -7.738 7.256 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.836 -6.812 7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.311 -7.528 5.827 1.00 0.00 H new ATOM 864 N LYS A 53 -3.980 -11.019 6.473 1.00 0.00 N ATOM 865 CA LYS A 53 -3.260 -12.219 6.876 1.00 0.00 C ATOM 866 C LYS A 53 -1.792 -12.161 6.436 1.00 0.00 C ATOM 867 O LYS A 53 -1.106 -13.180 6.457 1.00 0.00 O ATOM 868 CB LYS A 53 -3.999 -13.467 6.345 1.00 0.00 C ATOM 869 CG LYS A 53 -5.225 -13.844 7.191 1.00 0.00 C ATOM 870 CD LYS A 53 -6.520 -13.060 6.915 1.00 0.00 C ATOM 871 CE LYS A 53 -7.463 -13.261 8.106 1.00 0.00 C ATOM 872 NZ LYS A 53 -8.875 -12.941 7.816 1.00 0.00 N ATOM 0 H LYS A 53 -4.286 -11.041 5.500 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.241 -12.284 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.315 -13.286 5.318 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.308 -14.309 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.430 -14.904 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.966 -13.715 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.301 -12.001 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.988 -13.411 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.397 -14.297 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.123 -12.639 8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.449 -13.101 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.953 -11.945 7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.218 -13.551 7.047 1.00 0.00 H new ATOM 886 N GLU A 54 -1.299 -10.998 6.003 1.00 0.00 N ATOM 887 CA GLU A 54 0.015 -10.854 5.374 1.00 0.00 C ATOM 888 C GLU A 54 0.961 -9.970 6.201 1.00 0.00 C ATOM 889 O GLU A 54 2.153 -9.922 5.907 1.00 0.00 O ATOM 890 CB GLU A 54 -0.200 -10.308 3.953 1.00 0.00 C ATOM 891 CG GLU A 54 0.398 -11.161 2.823 1.00 0.00 C ATOM 892 CD GLU A 54 1.900 -11.038 2.578 1.00 0.00 C ATOM 893 OE1 GLU A 54 2.380 -9.891 2.434 1.00 0.00 O ATOM 894 OE2 GLU A 54 2.543 -12.084 2.324 1.00 0.00 O ATOM 0 H GLU A 54 -1.809 -10.118 6.081 1.00 0.00 H new ATOM 0 HA GLU A 54 0.507 -11.825 5.323 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.271 -10.205 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.230 -9.308 3.897 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.174 -12.207 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.118 -10.905 1.897 1.00 0.00 H new ATOM 901 N ASN A 55 0.480 -9.341 7.283 1.00 0.00 N ATOM 902 CA ASN A 55 1.204 -8.337 8.077 1.00 0.00 C ATOM 903 C ASN A 55 1.812 -7.240 7.188 1.00 0.00 C ATOM 904 O ASN A 55 3.023 -7.010 7.182 1.00 0.00 O ATOM 905 CB ASN A 55 2.230 -8.977 9.037 1.00 0.00 C ATOM 906 CG ASN A 55 3.000 -7.929 9.846 1.00 0.00 C ATOM 907 OD1 ASN A 55 2.461 -6.897 10.252 1.00 0.00 O ATOM 908 ND2 ASN A 55 4.284 -8.148 10.080 1.00 0.00 N ATOM 0 H ASN A 55 -0.457 -9.524 7.642 1.00 0.00 H new ATOM 0 HA ASN A 55 0.473 -7.843 8.717 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.714 -9.652 9.719 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.934 -9.580 8.464 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.832 -7.462 10.598 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.725 -9.003 9.742 1.00 0.00 H new ATOM 915 N VAL A 56 0.956 -6.500 6.478 1.00 0.00 N ATOM 916 CA VAL A 56 1.381 -5.257 5.832 1.00 0.00 C ATOM 917 C VAL A 56 1.850 -4.297 6.921 1.00 0.00 C ATOM 918 O VAL A 56 1.231 -4.230 7.990 1.00 0.00 O ATOM 919 CB VAL A 56 0.260 -4.590 5.013 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.861 -3.734 3.898 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.743 -5.558 4.391 1.00 0.00 C ATOM 0 H VAL A 56 -0.026 -6.737 6.337 1.00 0.00 H new ATOM 0 HA VAL A 56 2.180 -5.497 5.131 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.292 -3.986 5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.059 -3.267 3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.494 -2.961 4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.459 -4.363 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.494 -4.997 3.835 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.223 -6.237 3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.230 -6.133 5.179 1.00 0.00 H new ATOM 931 N ASN A 57 2.902 -3.537 6.641 1.00 0.00 N ATOM 932 CA ASN A 57 3.274 -2.387 7.441 1.00 0.00 C ATOM 933 C ASN A 57 2.316 -1.241 7.109 1.00 0.00 C ATOM 934 O ASN A 57 1.648 -0.740 8.015 1.00 0.00 O ATOM 935 CB ASN A 57 4.752 -2.050 7.196 1.00 0.00 C ATOM 936 CG ASN A 57 5.280 -1.103 8.259 1.00 0.00 C ATOM 937 OD1 ASN A 57 4.834 0.030 8.349 1.00 0.00 O ATOM 938 ND2 ASN A 57 6.224 -1.533 9.081 1.00 0.00 N ATOM 0 H ASN A 57 3.521 -3.706 5.848 1.00 0.00 H new ATOM 0 HA ASN A 57 3.182 -2.588 8.508 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.342 -2.967 7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.867 -1.597 6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.591 -0.915 9.804 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.585 -2.483 8.991 1.00 0.00 H new ATOM 945 N ALA A 58 2.163 -0.906 5.818 1.00 0.00 N ATOM 946 CA ALA A 58 1.498 0.321 5.374 1.00 0.00 C ATOM 947 C ALA A 58 0.759 0.183 4.023 1.00 0.00 C ATOM 948 O ALA A 58 1.018 -0.740 3.250 1.00 0.00 O ATOM 949 CB ALA A 58 2.574 1.406 5.294 1.00 0.00 C ATOM 0 H ALA A 58 2.501 -1.486 5.050 1.00 0.00 H new ATOM 0 HA ALA A 58 0.716 0.572 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.123 2.342 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.024 1.545 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.343 1.104 4.582 1.00 0.00 H new ATOM 955 N ILE A 59 -0.155 1.109 3.715 1.00 0.00 N ATOM 956 CA ILE A 59 -0.908 1.222 2.456 1.00 0.00 C ATOM 957 C ILE A 59 -0.486 2.487 1.691 1.00 0.00 C ATOM 958 O ILE A 59 -0.402 3.552 2.298 1.00 0.00 O ATOM 959 CB ILE A 59 -2.420 1.282 2.800 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.880 -0.113 3.245 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.306 1.731 1.626 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.270 -0.156 3.891 1.00 0.00 C ATOM 0 H ILE A 59 -0.406 1.845 4.376 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.702 0.361 1.820 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.532 2.026 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.877 -0.775 2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.153 -0.511 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.349 1.748 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.007 2.729 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.191 1.034 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.509 -1.182 4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.278 0.475 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.013 0.208 3.181 1.00 0.00 H new ATOM 974 N ILE A 60 -0.385 2.405 0.357 1.00 0.00 N ATOM 975 CA ILE A 60 -0.257 3.532 -0.573 1.00 0.00 C ATOM 976 C ILE A 60 -1.354 3.364 -1.624 1.00 0.00 C ATOM 977 O ILE A 60 -1.428 2.285 -2.218 1.00 0.00 O ATOM 978 CB ILE A 60 1.134 3.525 -1.249 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.250 3.541 -0.192 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.246 4.720 -2.209 1.00 0.00 C ATOM 981 CD1 ILE A 60 3.672 3.550 -0.755 1.00 0.00 C ATOM 0 H ILE A 60 -0.391 1.506 -0.125 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.358 4.481 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 60 1.250 2.608 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.120 4.420 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.135 2.668 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.227 4.714 -2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.472 4.647 -2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.119 5.648 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.388 3.561 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.829 2.658 -1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.813 4.437 -1.372 1.00 0.00 H new ATOM 993 N CYS A 61 -2.211 4.375 -1.851 1.00 0.00 N ATOM 994 CA CYS A 61 -3.294 4.249 -2.852 1.00 0.00 C ATOM 995 C CYS A 61 -3.763 5.514 -3.581 1.00 0.00 C ATOM 996 O CYS A 61 -4.488 5.387 -4.560 1.00 0.00 O ATOM 997 CB CYS A 61 -4.560 3.624 -2.241 1.00 0.00 C ATOM 998 SG CYS A 61 -4.315 2.080 -1.367 1.00 0.00 S ATOM 0 H CYS A 61 -2.180 5.273 -1.368 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.800 3.623 -3.595 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.003 4.344 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.284 3.458 -3.039 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.117 1.633 -1.603 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.374 6.685 -3.086 1.00 0.00 N ATOM 1005 CA LYS A 62 -3.860 8.053 -3.281 1.00 0.00 C ATOM 1006 C LYS A 62 -5.161 8.346 -2.534 1.00 0.00 C ATOM 1007 O LYS A 62 -5.254 9.429 -1.978 1.00 0.00 O ATOM 1008 CB LYS A 62 -3.882 8.451 -4.764 1.00 0.00 C ATOM 1009 CG LYS A 62 -2.457 8.650 -5.287 1.00 0.00 C ATOM 1010 CD LYS A 62 -2.245 8.219 -6.744 1.00 0.00 C ATOM 1011 CE LYS A 62 -2.854 9.090 -7.839 1.00 0.00 C ATOM 1012 NZ LYS A 62 -2.643 10.533 -7.594 1.00 0.00 N ATOM 0 H LYS A 62 -2.587 6.698 -2.437 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.131 8.713 -2.811 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.385 7.679 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.454 9.370 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.193 9.703 -5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.770 8.090 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.171 8.158 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.644 7.211 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.416 8.820 -8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.923 8.888 -7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.968 11.076 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.181 10.825 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.631 10.714 -7.437 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.103 7.421 -2.365 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.341 7.707 -1.621 1.00 0.00 C ATOM 1028 C ASN A 63 -7.884 6.469 -0.938 1.00 0.00 C ATOM 1029 O ASN A 63 -7.412 5.360 -1.198 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.413 8.335 -2.525 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.270 9.841 -2.518 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.500 10.467 -1.489 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -7.816 10.427 -3.616 1.00 0.00 N ATOM 0 H ASN A 63 -6.040 6.470 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.082 8.431 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.312 7.956 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.407 8.053 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.646 11.433 -3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.636 9.872 -4.453 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.855 6.647 -0.041 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.372 5.607 0.836 1.00 0.00 C ATOM 1042 C ILE A 64 -10.725 6.073 1.409 1.00 0.00 C ATOM 1043 O ILE A 64 -10.796 7.111 2.069 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.296 5.275 1.908 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.731 4.088 2.789 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.876 6.496 2.749 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.605 3.509 3.647 1.00 0.00 C ATOM 0 H ILE A 64 -9.314 7.548 0.096 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.569 4.676 0.304 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.401 4.975 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.543 4.410 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.129 3.300 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.123 6.195 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.461 7.263 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.746 6.895 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.989 2.678 4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.801 3.154 3.002 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.221 4.282 4.313 1.00 0.00 H new ATOM 1059 N SER A 65 -11.795 5.316 1.149 1.00 0.00 N ATOM 1060 CA SER A 65 -13.093 5.541 1.786 1.00 0.00 C ATOM 1061 C SER A 65 -12.968 5.372 3.303 1.00 0.00 C ATOM 1062 O SER A 65 -12.204 4.515 3.761 1.00 0.00 O ATOM 1063 CB SER A 65 -14.132 4.554 1.236 1.00 0.00 C ATOM 1064 OG SER A 65 -15.401 5.155 1.216 1.00 0.00 O ATOM 0 H SER A 65 -11.785 4.534 0.494 1.00 0.00 H new ATOM 0 HA SER A 65 -13.420 6.557 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.852 4.242 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.155 3.656 1.853 1.00 0.00 H new ATOM 0 HG SER A 65 -16.058 4.520 0.862 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.766 6.130 4.056 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.800 6.189 5.517 1.00 0.00 C ATOM 1072 C GLU A 66 -13.942 4.790 6.129 1.00 0.00 C ATOM 1073 O GLU A 66 -13.191 4.429 7.038 1.00 0.00 O ATOM 1074 CB GLU A 66 -14.956 7.114 5.942 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.123 7.246 7.461 1.00 0.00 C ATOM 1076 CD GLU A 66 -16.256 8.211 7.819 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -16.000 9.426 7.961 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -17.395 7.749 8.077 1.00 0.00 O ATOM 0 H GLU A 66 -14.449 6.759 3.634 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.859 6.593 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.790 8.104 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.885 6.736 5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.328 6.266 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.190 7.599 7.901 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.878 3.983 5.619 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.193 2.681 6.203 1.00 0.00 C ATOM 1087 C GLU A 67 -13.965 1.767 6.210 1.00 0.00 C ATOM 1088 O GLU A 67 -13.694 1.049 7.179 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.324 2.011 5.406 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.001 0.971 6.316 1.00 0.00 C ATOM 1091 CD GLU A 67 -18.185 0.228 5.706 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.155 -0.072 4.492 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -19.048 -0.241 6.483 1.00 0.00 O ATOM 0 H GLU A 67 -15.434 4.214 4.795 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.511 2.841 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.048 2.755 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.927 1.532 4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.253 0.238 6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.339 1.474 7.222 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.235 1.800 5.096 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.994 1.064 4.909 1.00 0.00 C ATOM 1102 C ASN A 68 -10.879 1.706 5.735 1.00 0.00 C ATOM 1103 O ASN A 68 -10.116 0.973 6.361 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.600 1.037 3.426 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.244 -0.076 2.599 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.520 -1.165 3.093 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.461 0.164 1.315 1.00 0.00 N ATOM 0 H ASN A 68 -13.500 2.354 4.281 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.144 0.038 5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.862 1.996 2.980 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.517 0.938 3.357 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.863 -0.562 0.721 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.226 1.074 0.920 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.785 3.043 5.780 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.761 3.759 6.539 1.00 0.00 C ATOM 1116 C TYR A 69 -9.736 3.257 7.978 1.00 0.00 C ATOM 1117 O TYR A 69 -8.734 2.682 8.401 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.945 5.288 6.463 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.860 6.062 7.199 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -9.013 6.388 8.561 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.672 6.420 6.535 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -7.976 7.034 9.259 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.635 7.076 7.219 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.783 7.384 8.589 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.762 7.975 9.271 1.00 0.00 O ATOM 0 H TYR A 69 -11.427 3.660 5.283 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.792 3.551 6.086 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.954 5.594 5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.917 5.551 6.881 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.932 6.141 9.072 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.556 6.188 5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.092 7.262 10.308 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.727 7.344 6.699 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.159 8.417 8.638 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.843 3.404 8.713 1.00 0.00 N ATOM 1136 CA LYS A 70 -10.878 3.058 10.137 1.00 0.00 C ATOM 1137 C LYS A 70 -10.672 1.556 10.385 1.00 0.00 C ATOM 1138 O LYS A 70 -10.252 1.141 11.470 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.199 3.525 10.760 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.495 5.026 10.563 1.00 0.00 C ATOM 1141 CD LYS A 70 -13.666 5.410 11.471 1.00 0.00 C ATOM 1142 CE LYS A 70 -14.284 6.784 11.201 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.254 7.138 12.264 1.00 0.00 N ATOM 0 H LYS A 70 -11.726 3.760 8.346 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.046 3.575 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.016 2.946 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.181 3.307 11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.615 5.621 10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.740 5.231 9.521 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.445 4.654 11.370 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.326 5.381 12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.499 7.538 11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.783 6.780 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.663 8.073 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.013 6.427 12.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.768 7.162 13.183 1.00 0.00 H new ATOM 1157 N LYS A 71 -10.975 0.709 9.397 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.743 -0.726 9.478 1.00 0.00 C ATOM 1159 C LYS A 71 -9.267 -1.057 9.318 1.00 0.00 C ATOM 1160 O LYS A 71 -8.784 -2.004 9.939 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.552 -1.392 8.371 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.505 -2.927 8.428 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.828 -3.549 7.968 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.858 -3.537 9.106 1.00 0.00 C ATOM 1165 NZ LYS A 71 -15.075 -4.305 8.773 1.00 0.00 N ATOM 0 H LYS A 71 -11.391 1.007 8.515 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.052 -1.092 10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.589 -1.064 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.176 -1.059 7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.693 -3.290 7.798 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.286 -3.247 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.217 -2.997 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.658 -4.573 7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.405 -3.952 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.133 -2.507 9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.739 -4.267 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.524 -3.895 7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.819 -5.295 8.582 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.540 -0.369 8.440 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.131 -0.666 8.200 1.00 0.00 C ATOM 1181 C PHE A 72 -6.229 0.070 9.186 1.00 0.00 C ATOM 1182 O PHE A 72 -5.218 -0.498 9.615 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.783 -0.442 6.723 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.136 -1.663 5.885 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -8.447 -1.879 5.419 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -6.158 -2.641 5.635 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -8.763 -3.048 4.705 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -6.480 -3.823 4.948 1.00 0.00 C ATOM 1189 CZ PHE A 72 -7.785 -4.029 4.476 1.00 0.00 C ATOM 0 H PHE A 72 -8.906 0.401 7.881 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.944 -1.722 8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.321 0.428 6.347 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.719 -0.226 6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -9.214 -1.143 5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.146 -2.482 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.765 -3.193 4.330 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.722 -4.574 4.783 1.00 0.00 H new ATOM 0 HZ PHE A 72 -8.035 -4.934 3.942 1.00 0.00 H new ATOM 1199 N SER A 73 -6.635 1.250 9.657 1.00 0.00 N ATOM 1200 CA SER A 73 -5.827 2.043 10.586 1.00 0.00 C ATOM 1201 C SER A 73 -5.613 1.336 11.938 1.00 0.00 C ATOM 1202 O SER A 73 -4.703 1.694 12.688 1.00 0.00 O ATOM 1203 CB SER A 73 -6.406 3.456 10.721 1.00 0.00 C ATOM 1204 OG SER A 73 -7.640 3.465 11.410 1.00 0.00 O ATOM 0 H SER A 73 -7.526 1.681 9.408 1.00 0.00 H new ATOM 0 HA SER A 73 -4.826 2.143 10.166 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.693 4.090 11.248 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.543 3.887 9.729 1.00 0.00 H new ATOM 0 HG SER A 73 -7.972 4.385 11.475 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.365 0.258 12.217 1.00 0.00 N ATOM 1211 CA LYS A 74 -6.184 -0.625 13.371 1.00 0.00 C ATOM 1212 C LYS A 74 -4.751 -1.113 13.557 1.00 0.00 C ATOM 1213 O LYS A 74 -4.377 -1.432 14.686 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.168 -1.808 13.306 1.00 0.00 C ATOM 1215 CG LYS A 74 -6.857 -2.903 12.268 1.00 0.00 C ATOM 1216 CD LYS A 74 -6.139 -4.154 12.814 1.00 0.00 C ATOM 1217 CE LYS A 74 -7.122 -5.338 12.894 1.00 0.00 C ATOM 1218 NZ LYS A 74 -6.445 -6.645 13.049 1.00 0.00 N ATOM 0 H LYS A 74 -7.142 -0.029 11.621 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.404 -0.022 14.252 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.208 -2.273 14.291 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.163 -1.414 13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.793 -3.216 11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.242 -2.468 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.300 -4.412 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.729 -3.945 13.802 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.799 -5.184 13.734 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.733 -5.357 11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.157 -7.401 13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.819 -6.810 12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.883 -6.643 13.924 1.00 0.00 H new ATOM 1232 N LYS A 75 -3.954 -1.209 12.487 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.523 -1.484 12.610 1.00 0.00 C ATOM 1234 C LYS A 75 -1.708 -0.988 11.412 1.00 0.00 C ATOM 1235 O LYS A 75 -0.499 -1.206 11.386 1.00 0.00 O ATOM 1236 CB LYS A 75 -2.288 -2.995 12.840 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.389 -3.300 14.050 1.00 0.00 C ATOM 1238 CD LYS A 75 0.016 -2.687 13.957 1.00 0.00 C ATOM 1239 CE LYS A 75 1.003 -3.313 14.937 1.00 0.00 C ATOM 1240 NZ LYS A 75 1.307 -4.719 14.597 1.00 0.00 N ATOM 0 H LYS A 75 -4.279 -1.100 11.526 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.168 -0.923 13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.251 -3.487 12.980 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.837 -3.425 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.876 -2.931 14.953 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.296 -4.381 14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.393 -2.809 12.942 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.047 -1.616 14.147 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.926 -2.734 14.941 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.592 -3.265 15.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.164 -5.021 15.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.508 -5.324 14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.463 -4.802 13.572 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.322 -0.423 10.373 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.662 -0.233 9.088 1.00 0.00 C ATOM 1256 C ILE A 76 -1.763 1.244 8.772 1.00 0.00 C ATOM 1257 O ILE A 76 -2.856 1.809 8.714 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.305 -1.128 8.012 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.217 -2.623 8.395 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.619 -0.913 6.656 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.153 -3.487 7.556 1.00 0.00 C ATOM 0 H ILE A 76 -3.285 -0.087 10.400 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.613 -0.529 9.116 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.356 -0.847 7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.192 -2.970 8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.464 -2.741 9.450 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.085 -1.553 5.907 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.722 0.130 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.561 -1.163 6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.057 -4.529 7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.182 -3.159 7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.890 -3.391 6.503 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.599 1.845 8.610 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.412 3.252 8.339 1.00 0.00 C ATOM 1275 C GLU A 77 -0.784 3.485 6.880 1.00 0.00 C ATOM 1276 O GLU A 77 -0.190 2.882 5.984 1.00 0.00 O ATOM 1277 CB GLU A 77 1.058 3.576 8.630 1.00 0.00 C ATOM 1278 CG GLU A 77 1.354 3.427 10.135 1.00 0.00 C ATOM 1279 CD GLU A 77 2.751 2.867 10.426 1.00 0.00 C ATOM 1280 OE1 GLU A 77 3.729 3.303 9.779 1.00 0.00 O ATOM 1281 OE2 GLU A 77 2.875 1.989 11.312 1.00 0.00 O ATOM 0 H GLU A 77 0.283 1.337 8.667 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.034 3.900 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.704 2.910 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.284 4.592 8.308 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.253 4.400 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.607 2.771 10.582 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.809 4.290 6.616 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.184 4.637 5.256 1.00 0.00 C ATOM 1290 C ILE A 78 -1.459 5.935 4.891 1.00 0.00 C ATOM 1291 O ILE A 78 -1.426 6.888 5.676 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.721 4.691 5.138 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.368 3.343 5.565 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.102 5.010 3.684 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.288 3.433 6.785 1.00 0.00 C ATOM 0 H ILE A 78 -2.396 4.715 7.334 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.875 3.885 4.530 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.093 5.469 5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.939 2.947 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.575 2.626 5.777 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.187 5.050 3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.678 5.973 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.711 4.233 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.693 2.446 7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.721 3.795 7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.106 4.122 6.574 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.881 5.970 3.690 1.00 0.00 N ATOM 1308 CA TYR A 79 -0.094 7.068 3.148 1.00 0.00 C ATOM 1309 C TYR A 79 -0.759 7.565 1.873 1.00 0.00 C ATOM 1310 O TYR A 79 -1.482 6.815 1.208 1.00 0.00 O ATOM 1311 CB TYR A 79 1.318 6.574 2.818 1.00 0.00 C ATOM 1312 CG TYR A 79 2.240 6.387 4.005 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.166 5.239 4.816 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.219 7.360 4.264 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.113 5.039 5.838 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.179 7.158 5.268 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.141 5.988 6.051 1.00 0.00 C ATOM 1318 OH TYR A 79 5.095 5.791 6.996 1.00 0.00 O ATOM 0 H TYR A 79 -0.956 5.189 3.038 1.00 0.00 H new ATOM 0 HA TYR A 79 -0.034 7.874 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.237 5.624 2.290 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.780 7.282 2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.383 4.512 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.233 8.272 3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.055 4.159 6.461 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.946 7.899 5.440 1.00 0.00 H new ATOM 0 HH TYR A 79 5.717 6.548 6.996 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.513 8.821 1.516 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.859 9.367 0.216 1.00 0.00 C ATOM 1330 C HIS A 80 0.286 9.036 -0.744 1.00 0.00 C ATOM 1331 O HIS A 80 1.443 9.064 -0.321 1.00 0.00 O ATOM 1332 CB HIS A 80 -1.071 10.879 0.359 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.804 11.448 -0.827 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -1.285 12.223 -1.839 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -3.121 11.232 -1.118 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -2.273 12.464 -2.716 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.416 11.880 -2.322 1.00 0.00 N ATOM 0 H HIS A 80 -0.061 9.495 2.133 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.781 8.939 -0.177 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.635 11.084 1.269 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.106 11.375 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.815 10.659 -0.521 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.163 13.049 -3.617 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.315 11.904 -2.802 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.018 8.691 -2.001 1.00 0.00 N ATOM 1346 CA ALA A 81 1.025 8.504 -3.005 1.00 0.00 C ATOM 1347 C ALA A 81 1.339 9.832 -3.707 1.00 0.00 C ATOM 1348 O ALA A 81 0.454 10.661 -3.927 1.00 0.00 O ATOM 1349 CB ALA A 81 0.637 7.440 -4.038 1.00 0.00 C ATOM 0 H ALA A 81 -0.968 8.538 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 81 1.917 8.154 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.440 7.331 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.472 6.487 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.277 7.744 -4.548 1.00 0.00 H new ATOM 1355 N GLU A 82 2.581 9.979 -4.148 1.00 0.00 N ATOM 1356 CA GLU A 82 3.137 11.096 -4.889 1.00 0.00 C ATOM 1357 C GLU A 82 3.411 10.628 -6.322 1.00 0.00 C ATOM 1358 O GLU A 82 4.557 10.412 -6.726 1.00 0.00 O ATOM 1359 CB GLU A 82 4.402 11.593 -4.160 1.00 0.00 C ATOM 1360 CG GLU A 82 4.088 12.518 -2.976 1.00 0.00 C ATOM 1361 CD GLU A 82 3.802 13.941 -3.463 1.00 0.00 C ATOM 1362 OE1 GLU A 82 2.842 14.134 -4.240 1.00 0.00 O ATOM 1363 OE2 GLU A 82 4.565 14.868 -3.108 1.00 0.00 O ATOM 0 H GLU A 82 3.282 9.257 -3.981 1.00 0.00 H new ATOM 0 HA GLU A 82 2.448 11.939 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.969 10.734 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.039 12.123 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.227 12.136 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.929 12.528 -2.282 1.00 0.00 H new ATOM 1370 N GLY A 83 2.349 10.415 -7.099 1.00 0.00 N ATOM 1371 CA GLY A 83 2.411 10.194 -8.536 1.00 0.00 C ATOM 1372 C GLY A 83 1.602 8.988 -8.983 1.00 0.00 C ATOM 1373 O GLY A 83 0.962 8.308 -8.185 1.00 0.00 O ATOM 0 H GLY A 83 1.398 10.392 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.045 11.082 -9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.451 10.058 -8.833 1.00 0.00 H new ATOM 1377 N ASP A 84 1.649 8.733 -10.289 1.00 0.00 N ATOM 1378 CA ASP A 84 1.443 7.397 -10.851 1.00 0.00 C ATOM 1379 C ASP A 84 2.591 6.481 -10.452 1.00 0.00 C ATOM 1380 O ASP A 84 2.400 5.277 -10.294 1.00 0.00 O ATOM 1381 CB ASP A 84 1.361 7.474 -12.392 1.00 0.00 C ATOM 1382 CG ASP A 84 2.642 7.066 -13.145 1.00 0.00 C ATOM 1383 OD1 ASP A 84 3.532 7.931 -13.340 1.00 0.00 O ATOM 1384 OD2 ASP A 84 2.755 5.910 -13.588 1.00 0.00 O ATOM 0 H ASP A 84 1.832 9.450 -10.991 1.00 0.00 H new ATOM 0 HA ASP A 84 0.507 6.996 -10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.544 6.835 -12.727 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.104 8.495 -12.674 1.00 0.00 H new ATOM 1389 N ASP A 85 3.779 7.076 -10.347 1.00 0.00 N ATOM 1390 CA ASP A 85 5.028 6.369 -10.485 1.00 0.00 C ATOM 1391 C ASP A 85 5.291 5.544 -9.248 1.00 0.00 C ATOM 1392 O ASP A 85 5.730 6.061 -8.216 1.00 0.00 O ATOM 1393 CB ASP A 85 6.184 7.332 -10.708 1.00 0.00 C ATOM 1394 CG ASP A 85 7.440 6.628 -11.219 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.445 5.377 -11.287 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.383 7.373 -11.577 1.00 0.00 O ATOM 0 H ASP A 85 3.890 8.073 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 85 4.951 5.716 -11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.883 8.097 -11.424 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.413 7.843 -9.773 1.00 0.00 H new ATOM 1401 N VAL A 86 5.018 4.256 -9.351 1.00 0.00 N ATOM 1402 CA VAL A 86 5.290 3.306 -8.299 1.00 0.00 C ATOM 1403 C VAL A 86 6.755 3.452 -7.874 1.00 0.00 C ATOM 1404 O VAL A 86 7.030 3.512 -6.680 1.00 0.00 O ATOM 1405 CB VAL A 86 4.951 1.890 -8.789 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.482 0.813 -7.831 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.438 1.738 -8.952 1.00 0.00 C ATOM 0 H VAL A 86 4.596 3.839 -10.181 1.00 0.00 H new ATOM 0 HA VAL A 86 4.669 3.497 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 86 5.439 1.750 -9.754 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.222 -0.174 -8.213 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.566 0.898 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.036 0.950 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.209 0.731 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.950 1.911 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.076 2.464 -9.680 1.00 0.00 H new ATOM 1417 N ASP A 87 7.688 3.575 -8.825 1.00 0.00 N ATOM 1418 CA ASP A 87 9.116 3.620 -8.523 1.00 0.00 C ATOM 1419 C ASP A 87 9.437 4.870 -7.703 1.00 0.00 C ATOM 1420 O ASP A 87 10.140 4.784 -6.698 1.00 0.00 O ATOM 1421 CB ASP A 87 9.975 3.569 -9.806 1.00 0.00 C ATOM 1422 CG ASP A 87 10.810 2.293 -9.991 1.00 0.00 C ATOM 1423 OD1 ASP A 87 10.609 1.277 -9.286 1.00 0.00 O ATOM 1424 OD2 ASP A 87 11.745 2.326 -10.833 1.00 0.00 O ATOM 0 H ASP A 87 7.472 3.646 -9.819 1.00 0.00 H new ATOM 0 HA ASP A 87 9.365 2.736 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.317 3.680 -10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.648 4.426 -9.806 1.00 0.00 H new ATOM 1429 N LYS A 88 8.886 6.035 -8.081 1.00 0.00 N ATOM 1430 CA LYS A 88 9.043 7.267 -7.299 1.00 0.00 C ATOM 1431 C LYS A 88 8.515 7.083 -5.875 1.00 0.00 C ATOM 1432 O LYS A 88 9.092 7.587 -4.917 1.00 0.00 O ATOM 1433 CB LYS A 88 8.318 8.423 -8.022 1.00 0.00 C ATOM 1434 CG LYS A 88 8.510 9.839 -7.443 1.00 0.00 C ATOM 1435 CD LYS A 88 9.899 10.154 -6.871 1.00 0.00 C ATOM 1436 CE LYS A 88 10.219 11.654 -6.922 1.00 0.00 C ATOM 1437 NZ LYS A 88 11.001 12.043 -8.118 1.00 0.00 N ATOM 0 H LYS A 88 8.327 6.147 -8.927 1.00 0.00 H new ATOM 0 HA LYS A 88 10.103 7.510 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.649 8.434 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.251 8.202 -8.030 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.290 10.563 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.772 9.990 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.952 9.807 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.655 9.604 -7.432 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.287 12.219 -6.906 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.775 11.931 -6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.185 13.066 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.905 11.529 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.463 11.807 -8.976 1.00 0.00 H new ATOM 1451 N ASN A 89 7.402 6.372 -5.726 1.00 0.00 N ATOM 1452 CA ASN A 89 6.736 6.210 -4.441 1.00 0.00 C ATOM 1453 C ASN A 89 7.440 5.208 -3.543 1.00 0.00 C ATOM 1454 O ASN A 89 7.331 5.302 -2.322 1.00 0.00 O ATOM 1455 CB ASN A 89 5.293 5.771 -4.680 1.00 0.00 C ATOM 1456 CG ASN A 89 4.467 7.002 -4.958 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.919 7.584 -4.037 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.433 7.480 -6.188 1.00 0.00 N ATOM 0 H ASN A 89 6.936 5.891 -6.496 1.00 0.00 H new ATOM 0 HA ASN A 89 6.764 7.171 -3.927 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.240 5.080 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.907 5.243 -3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.942 8.352 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.898 6.977 -6.944 1.00 0.00 H new ATOM 1465 N ILE A 90 8.147 4.240 -4.126 1.00 0.00 N ATOM 1466 CA ILE A 90 8.875 3.231 -3.378 1.00 0.00 C ATOM 1467 C ILE A 90 9.971 3.950 -2.589 1.00 0.00 C ATOM 1468 O ILE A 90 10.030 3.756 -1.373 1.00 0.00 O ATOM 1469 CB ILE A 90 9.360 2.098 -4.324 1.00 0.00 C ATOM 1470 CG1 ILE A 90 8.178 1.184 -4.738 1.00 0.00 C ATOM 1471 CG2 ILE A 90 10.458 1.232 -3.682 1.00 0.00 C ATOM 1472 CD1 ILE A 90 8.507 0.190 -5.857 1.00 0.00 C ATOM 0 H ILE A 90 8.227 4.139 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 90 8.247 2.712 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 90 9.778 2.588 -5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.841 0.628 -3.863 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.345 1.810 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.764 0.454 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.317 1.857 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 90 10.072 0.771 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.625 -0.408 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.814 0.735 -6.749 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.317 -0.465 -5.535 1.00 0.00 H new ATOM 1484 N SER A 91 10.779 4.803 -3.230 1.00 0.00 N ATOM 1485 CA SER A 91 11.847 5.502 -2.516 1.00 0.00 C ATOM 1486 C SER A 91 11.271 6.403 -1.415 1.00 0.00 C ATOM 1487 O SER A 91 11.720 6.357 -0.268 1.00 0.00 O ATOM 1488 CB SER A 91 12.728 6.273 -3.504 1.00 0.00 C ATOM 1489 OG SER A 91 12.068 7.388 -4.067 1.00 0.00 O ATOM 0 H SER A 91 10.714 5.022 -4.224 1.00 0.00 H new ATOM 0 HA SER A 91 12.482 4.769 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.630 6.610 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.045 5.602 -4.302 1.00 0.00 H new ATOM 0 HG SER A 91 11.129 7.162 -4.236 1.00 0.00 H new ATOM 1495 N LEU A 92 10.229 7.176 -1.753 1.00 0.00 N ATOM 1496 CA LEU A 92 9.643 8.162 -0.851 1.00 0.00 C ATOM 1497 C LEU A 92 9.056 7.479 0.386 1.00 0.00 C ATOM 1498 O LEU A 92 9.031 8.066 1.468 1.00 0.00 O ATOM 1499 CB LEU A 92 8.562 8.974 -1.586 1.00 0.00 C ATOM 1500 CG LEU A 92 9.089 9.992 -2.612 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.933 10.493 -3.487 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.721 11.206 -1.916 1.00 0.00 C ATOM 0 H LEU A 92 9.772 7.130 -2.664 1.00 0.00 H new ATOM 0 HA LEU A 92 10.428 8.843 -0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.894 8.280 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.964 9.505 -0.846 1.00 0.00 H new ATOM 0 HG LEU A 92 9.843 9.490 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.311 11.214 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.483 9.651 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.182 10.971 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.084 11.908 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.974 11.697 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.554 10.876 -1.295 1.00 0.00 H new ATOM 1514 N PHE A 93 8.586 6.240 0.248 1.00 0.00 N ATOM 1515 CA PHE A 93 8.133 5.427 1.361 1.00 0.00 C ATOM 1516 C PHE A 93 9.300 4.950 2.233 1.00 0.00 C ATOM 1517 O PHE A 93 9.204 5.022 3.454 1.00 0.00 O ATOM 1518 CB PHE A 93 7.370 4.223 0.811 1.00 0.00 C ATOM 1519 CG PHE A 93 7.035 3.209 1.880 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.172 3.544 2.941 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.681 1.960 1.864 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.890 2.597 3.943 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.410 1.023 2.868 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.482 1.322 3.880 1.00 0.00 C ATOM 0 H PHE A 93 8.511 5.772 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 93 7.485 6.036 1.991 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.449 4.566 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.966 3.743 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.727 4.527 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.384 1.724 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.223 2.847 4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.915 0.068 2.865 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.222 0.571 4.612 1.00 0.00 H new ATOM 1534 N ILE A 94 10.355 4.407 1.622 1.00 0.00 N ATOM 1535 CA ILE A 94 11.510 3.828 2.306 1.00 0.00 C ATOM 1536 C ILE A 94 12.199 4.898 3.168 1.00 0.00 C ATOM 1537 O ILE A 94 12.663 4.572 4.268 1.00 0.00 O ATOM 1538 CB ILE A 94 12.430 3.184 1.240 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.770 1.913 0.655 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.799 2.805 1.815 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.347 1.527 -0.710 1.00 0.00 C ATOM 0 H ILE A 94 10.430 4.357 0.606 1.00 0.00 H new ATOM 0 HA ILE A 94 11.216 3.040 3.000 1.00 0.00 H new ATOM 0 HB ILE A 94 12.575 3.929 0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.905 1.085 1.350 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.697 2.076 0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.411 2.357 1.032 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.294 3.699 2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.667 2.090 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.849 0.629 -1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.188 2.342 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.415 1.335 -0.612 1.00 0.00 H new ATOM 1553 N GLU A 95 12.268 6.150 2.708 1.00 0.00 N ATOM 1554 CA GLU A 95 12.757 7.252 3.526 1.00 0.00 C ATOM 1555 C GLU A 95 11.709 7.717 4.545 1.00 0.00 C ATOM 1556 O GLU A 95 12.091 8.071 5.661 1.00 0.00 O ATOM 1557 CB GLU A 95 13.241 8.404 2.632 1.00 0.00 C ATOM 1558 CG GLU A 95 14.565 8.032 1.940 1.00 0.00 C ATOM 1559 CD GLU A 95 15.432 9.255 1.634 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.137 10.008 0.684 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.446 9.487 2.341 1.00 0.00 O ATOM 0 H GLU A 95 11.988 6.422 1.766 1.00 0.00 H new ATOM 0 HA GLU A 95 13.608 6.893 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.484 8.632 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.378 9.304 3.231 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.123 7.345 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.350 7.502 1.012 1.00 0.00 H new ATOM 1568 N GLY A 96 10.412 7.679 4.218 1.00 0.00 N ATOM 1569 CA GLY A 96 9.333 8.148 5.092 1.00 0.00 C ATOM 1570 C GLY A 96 8.837 9.553 4.730 1.00 0.00 C ATOM 1571 O GLY A 96 8.151 10.199 5.529 1.00 0.00 O ATOM 0 H GLY A 96 10.079 7.316 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.499 7.449 5.037 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.683 8.147 6.124 1.00 0.00 H new ATOM 1575 N GLU A 97 9.186 10.038 3.540 1.00 0.00 N ATOM 1576 CA GLU A 97 8.831 11.336 2.990 1.00 0.00 C ATOM 1577 C GLU A 97 7.331 11.404 2.652 1.00 0.00 C ATOM 1578 O GLU A 97 6.725 12.465 2.809 1.00 0.00 O ATOM 1579 CB GLU A 97 9.714 11.570 1.742 1.00 0.00 C ATOM 1580 CG GLU A 97 10.762 12.685 1.890 1.00 0.00 C ATOM 1581 CD GLU A 97 10.223 14.116 1.754 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.006 14.349 1.943 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.024 15.047 1.506 1.00 0.00 O ATOM 0 H GLU A 97 9.762 9.496 2.896 1.00 0.00 H new ATOM 0 HA GLU A 97 9.011 12.123 3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.227 10.640 1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.068 11.809 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 97 11.239 12.585 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.537 12.534 1.139 1.00 0.00 H new ATOM 1590 N LEU A 98 6.702 10.306 2.199 1.00 0.00 N ATOM 1591 CA LEU A 98 5.266 10.312 1.864 1.00 0.00 C ATOM 1592 C LEU A 98 4.455 10.700 3.101 1.00 0.00 C ATOM 1593 O LEU A 98 4.783 10.253 4.206 1.00 0.00 O ATOM 1594 CB LEU A 98 4.771 8.935 1.382 1.00 0.00 C ATOM 1595 CG LEU A 98 5.319 8.433 0.038 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.708 7.064 -0.275 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.025 9.391 -1.122 1.00 0.00 C ATOM 0 H LEU A 98 7.162 9.407 2.057 1.00 0.00 H new ATOM 0 HA LEU A 98 5.130 11.031 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.019 8.198 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.684 8.970 1.314 1.00 0.00 H new ATOM 0 HG LEU A 98 6.403 8.367 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.094 6.703 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.971 6.359 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.623 7.154 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.437 8.982 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.947 9.514 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.482 10.360 -0.919 1.00 0.00 H new ATOM 1609 N SER A 99 3.379 11.477 2.941 1.00 0.00 N ATOM 1610 CA SER A 99 2.607 11.911 4.094 1.00 0.00 C ATOM 1611 C SER A 99 1.486 10.930 4.374 1.00 0.00 C ATOM 1612 O SER A 99 0.842 10.363 3.483 1.00 0.00 O ATOM 1613 CB SER A 99 2.080 13.330 3.921 1.00 0.00 C ATOM 1614 OG SER A 99 1.505 13.790 5.132 1.00 0.00 O ATOM 0 H SER A 99 3.033 11.809 2.041 1.00 0.00 H new ATOM 0 HA SER A 99 3.271 11.928 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.891 13.993 3.620 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.336 13.355 3.124 1.00 0.00 H new ATOM 0 HG SER A 99 1.171 14.703 5.010 1.00 0.00 H new ATOM 1620 N LYS A 100 1.230 10.776 5.660 1.00 0.00 N ATOM 1621 CA LYS A 100 0.301 9.822 6.236 1.00 0.00 C ATOM 1622 C LYS A 100 -1.098 10.427 6.225 1.00 0.00 C ATOM 1623 O LYS A 100 -1.287 11.580 6.615 1.00 0.00 O ATOM 1624 CB LYS A 100 0.815 9.474 7.634 1.00 0.00 C ATOM 1625 CG LYS A 100 2.059 8.569 7.495 1.00 0.00 C ATOM 1626 CD LYS A 100 2.852 8.311 8.780 1.00 0.00 C ATOM 1627 CE LYS A 100 2.192 7.303 9.718 1.00 0.00 C ATOM 1628 NZ LYS A 100 1.022 7.866 10.415 1.00 0.00 N ATOM 0 H LYS A 100 1.691 11.345 6.370 1.00 0.00 H new ATOM 0 HA LYS A 100 0.235 8.896 5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.068 10.383 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.039 8.964 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.741 7.609 7.090 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.730 9.018 6.762 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.847 7.951 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.984 9.254 9.310 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.884 6.427 9.147 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.921 6.964 10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.976 7.484 11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.108 8.902 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.155 7.610 9.900 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.077 9.673 5.732 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.446 10.163 5.601 1.00 0.00 C ATOM 1644 C ILE A 101 -4.020 10.258 7.030 1.00 0.00 C ATOM 1645 O ILE A 101 -3.812 9.352 7.845 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.257 9.245 4.649 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.716 9.423 3.208 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.762 9.556 4.691 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.509 8.729 2.091 1.00 0.00 C ATOM 0 H ILE A 101 -1.946 8.713 5.414 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.495 11.151 5.142 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.135 8.213 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.677 10.490 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.691 9.053 3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.290 8.890 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.136 9.409 5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.928 10.590 4.389 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -4.033 8.927 1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.528 7.654 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.529 9.113 2.077 1.00 0.00 H new ATOM 1661 N SER A 102 -4.791 11.305 7.334 1.00 0.00 N ATOM 1662 CA SER A 102 -5.546 11.429 8.583 1.00 0.00 C ATOM 1663 C SER A 102 -7.024 11.609 8.251 1.00 0.00 C ATOM 1664 O SER A 102 -7.867 10.837 8.712 1.00 0.00 O ATOM 1665 CB SER A 102 -4.996 12.571 9.454 1.00 0.00 C ATOM 1666 OG SER A 102 -5.796 12.708 10.616 1.00 0.00 O ATOM 0 H SER A 102 -4.910 12.103 6.710 1.00 0.00 H new ATOM 0 HA SER A 102 -5.434 10.520 9.174 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.963 12.364 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.993 13.504 8.890 1.00 0.00 H new ATOM 0 HG SER A 102 -5.444 13.435 11.171 1.00 0.00 H new ATOM 1672 N ASN A 103 -7.333 12.619 7.445 1.00 0.00 N ATOM 1673 CA ASN A 103 -8.664 13.010 7.011 1.00 0.00 C ATOM 1674 C ASN A 103 -8.727 12.861 5.489 1.00 0.00 C ATOM 1675 O ASN A 103 -8.335 13.789 4.783 1.00 0.00 O ATOM 1676 CB ASN A 103 -9.049 14.413 7.521 1.00 0.00 C ATOM 1677 CG ASN A 103 -8.017 15.534 7.421 1.00 0.00 C ATOM 1678 OD1 ASN A 103 -6.884 15.365 6.969 1.00 0.00 O ATOM 1679 ND2 ASN A 103 -8.369 16.700 7.937 1.00 0.00 N ATOM 0 H ASN A 103 -6.611 13.224 7.053 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.416 12.355 7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.938 14.731 6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -9.334 14.318 8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.700 17.469 7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -9.310 16.830 8.309 1.00 0.00 H new ATOM 1686 N PRO A 104 -9.039 11.657 4.974 1.00 0.00 N ATOM 1687 CA PRO A 104 -9.362 11.431 3.573 1.00 0.00 C ATOM 1688 C PRO A 104 -10.823 11.783 3.294 1.00 0.00 C ATOM 1689 O PRO A 104 -11.077 12.469 2.283 1.00 0.00 O ATOM 1690 CB PRO A 104 -9.128 9.939 3.344 1.00 0.00 C ATOM 1691 CG PRO A 104 -9.456 9.311 4.702 1.00 0.00 C ATOM 1692 CD PRO A 104 -9.157 10.412 5.718 1.00 0.00 C ATOM 0 HA PRO A 104 -8.754 12.050 2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.772 9.549 2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -8.099 9.735 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -10.499 8.998 4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.848 8.425 4.887 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.954 10.480 6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.236 10.197 6.259 1.00 0.00 H new TER 1700 PRO A 104