USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 713 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 13 MET CE :methyl 153:sc= -7.65! (180deg=-10.8!) USER MOD Set 1.2: A 72 HIS : no HD1:sc= -8.89! C(o=-17!,f=-17!) USER MOD Set 2.1: A 17 MET CE :methyl 139:sc= -3.01! (180deg=-4.09!) USER MOD Set 2.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.29 (180deg=0.945) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.935 K(o=-0.94,f=-4.1!) USER MOD Single : A 14 SER OG : rot 14:sc= -0.397 USER MOD Single : A 18 GLN : amide:sc= -14.7! C(o=-15!,f=-20!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 65:sc= -0.0558 USER MOD Single : A 26 THR OG1 : rot 60:sc= 1.21 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl -153:sc= -0.132 (180deg=-0.807) USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= -2.62! (180deg=-5.34!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0418 F(o=-1.9!,f=-0.042) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= -0.0399 (180deg=-0.27) USER MOD Single : A 49 LYS NZ :NH3+ 145:sc= 0.101 (180deg=-0.299) USER MOD Single : A 51 ASN : amide:sc= -0.145 K(o=-0.15,f=-2) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 55 HIS : no HD1:sc= -2.17 X(o=-2.2,f=-1.8) USER MOD Single : A 56 CYS SG : rot 21:sc= -1.88 USER MOD Single : A 61 ASN :FLIP amide:sc= -1.69! C(o=-5.8!,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -130:sc= 0.211 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.68 K(o=-1.7,f=-2.9!) USER MOD Single : A 70 THR OG1 : rot 69:sc= -0.0836 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0832 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.881 USER MOD Single : A 80 GLN : amide:sc= -5.9! C(o=-5.9!,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ -153:sc= -0.122 (180deg=-0.68) USER MOD Single : A 88 SER OG : rot 101:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.826 18.759 -2.613 1.00 0.00 N ATOM 2 CA MET A 1 12.966 18.928 -1.409 1.00 0.00 C ATOM 3 C MET A 1 11.778 17.970 -1.440 1.00 0.00 C ATOM 4 O MET A 1 10.651 18.371 -1.727 1.00 0.00 O ATOM 5 CB MET A 1 12.470 20.376 -1.340 1.00 0.00 C ATOM 6 CG MET A 1 13.562 21.401 -1.064 1.00 0.00 C ATOM 7 SD MET A 1 14.723 21.588 -2.431 1.00 0.00 S ATOM 8 CE MET A 1 15.787 22.881 -1.795 1.00 0.00 C ATOM 0 H1 MET A 1 14.456 19.581 -2.708 1.00 0.00 H new ATOM 0 H2 MET A 1 14.397 17.895 -2.513 1.00 0.00 H new ATOM 0 H3 MET A 1 13.227 18.682 -3.460 1.00 0.00 H new ATOM 0 HA MET A 1 13.559 18.698 -0.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.983 20.626 -2.283 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.712 20.451 -0.560 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.101 22.366 -0.853 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.109 21.107 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.560 23.110 -2.529 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.196 23.776 -1.600 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.254 22.545 -0.869 1.00 0.00 H new ATOM 20 N SER A 2 12.039 16.702 -1.140 1.00 0.00 N ATOM 21 CA SER A 2 10.993 15.686 -1.131 1.00 0.00 C ATOM 22 C SER A 2 10.499 15.426 0.288 1.00 0.00 C ATOM 23 O SER A 2 11.214 14.850 1.108 1.00 0.00 O ATOM 24 CB SER A 2 11.508 14.388 -1.754 1.00 0.00 C ATOM 25 OG SER A 2 11.887 14.583 -3.104 1.00 0.00 O ATOM 0 H SER A 2 12.967 16.353 -0.900 1.00 0.00 H new ATOM 0 HA SER A 2 10.156 16.056 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.361 14.021 -1.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.734 13.622 -1.698 1.00 0.00 H new ATOM 0 HG SER A 2 12.214 13.738 -3.477 1.00 0.00 H new ATOM 31 N ASP A 3 9.273 15.854 0.571 1.00 0.00 N ATOM 32 CA ASP A 3 8.685 15.668 1.893 1.00 0.00 C ATOM 33 C ASP A 3 7.933 14.342 1.975 1.00 0.00 C ATOM 34 O ASP A 3 6.765 14.300 2.364 1.00 0.00 O ATOM 35 CB ASP A 3 7.743 16.827 2.221 1.00 0.00 C ATOM 36 CG ASP A 3 8.456 18.165 2.226 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.020 18.542 1.178 1.00 0.00 O ATOM 38 OD2 ASP A 3 8.451 18.836 3.280 1.00 0.00 O ATOM 0 H ASP A 3 8.668 16.332 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 3 9.493 15.649 2.624 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.934 16.852 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.288 16.657 3.197 1.00 0.00 H new ATOM 43 N ARG A 4 8.611 13.261 1.609 1.00 0.00 N ATOM 44 CA ARG A 4 8.012 11.933 1.642 1.00 0.00 C ATOM 45 C ARG A 4 9.075 10.861 1.839 1.00 0.00 C ATOM 46 O ARG A 4 10.201 10.991 1.362 1.00 0.00 O ATOM 47 CB ARG A 4 7.239 11.664 0.350 1.00 0.00 C ATOM 48 CG ARG A 4 6.058 12.595 0.143 1.00 0.00 C ATOM 49 CD ARG A 4 5.344 12.304 -1.166 1.00 0.00 C ATOM 50 NE ARG A 4 4.219 13.209 -1.390 1.00 0.00 N ATOM 51 CZ ARG A 4 3.439 13.167 -2.467 1.00 0.00 C ATOM 52 NH1 ARG A 4 3.656 12.268 -3.420 1.00 0.00 N ATOM 53 NH2 ARG A 4 2.439 14.028 -2.594 1.00 0.00 N ATOM 0 H ARG A 4 9.578 13.279 1.285 1.00 0.00 H new ATOM 0 HA ARG A 4 7.322 11.897 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 4 7.919 11.759 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.882 10.634 0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.359 12.487 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.403 13.629 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.050 12.393 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.986 11.275 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 4 4.020 13.914 -0.680 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.425 11.604 -3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.054 12.242 -4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.268 14.722 -1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.841 13.996 -3.419 1.00 0.00 H new ATOM 67 N LYS A 5 8.706 9.799 2.545 1.00 0.00 N ATOM 68 CA LYS A 5 9.628 8.698 2.806 1.00 0.00 C ATOM 69 C LYS A 5 8.894 7.494 3.386 1.00 0.00 C ATOM 70 O LYS A 5 9.463 6.723 4.161 1.00 0.00 O ATOM 71 CB LYS A 5 10.736 9.147 3.761 1.00 0.00 C ATOM 72 CG LYS A 5 10.223 9.627 5.108 1.00 0.00 C ATOM 73 CD LYS A 5 11.364 10.064 6.014 1.00 0.00 C ATOM 74 CE LYS A 5 10.851 10.549 7.361 1.00 0.00 C ATOM 75 NZ LYS A 5 11.960 10.983 8.255 1.00 0.00 N ATOM 0 H LYS A 5 7.777 9.676 2.947 1.00 0.00 H new ATOM 0 HA LYS A 5 10.075 8.401 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.425 8.318 3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 5 11.305 9.950 3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.534 10.459 4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.660 8.828 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.051 9.231 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.929 10.861 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.161 11.379 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.287 9.751 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.568 11.306 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.605 10.184 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.483 11.762 7.807 1.00 0.00 H new ATOM 89 N ALA A 6 7.632 7.335 3.002 1.00 0.00 N ATOM 90 CA ALA A 6 6.816 6.222 3.478 1.00 0.00 C ATOM 91 C ALA A 6 6.643 6.268 4.992 1.00 0.00 C ATOM 92 O ALA A 6 7.610 6.439 5.733 1.00 0.00 O ATOM 93 CB ALA A 6 7.431 4.898 3.052 1.00 0.00 C ATOM 0 H ALA A 6 7.150 7.965 2.360 1.00 0.00 H new ATOM 0 HA ALA A 6 5.827 6.313 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.813 4.076 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.489 4.857 1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.433 4.810 3.472 1.00 0.00 H new ATOM 99 N VAL A 7 5.403 6.110 5.445 1.00 0.00 N ATOM 100 CA VAL A 7 5.105 6.134 6.872 1.00 0.00 C ATOM 101 C VAL A 7 4.021 5.118 7.223 1.00 0.00 C ATOM 102 O VAL A 7 2.857 5.291 6.864 1.00 0.00 O ATOM 103 CB VAL A 7 4.652 7.535 7.323 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.406 7.567 8.825 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.679 8.584 6.921 1.00 0.00 C ATOM 0 H VAL A 7 4.591 5.964 4.846 1.00 0.00 H new ATOM 0 HA VAL A 7 6.024 5.872 7.396 1.00 0.00 H new ATOM 0 HB VAL A 7 3.712 7.767 6.823 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.087 8.567 9.120 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.629 6.847 9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.326 7.310 9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.342 9.568 7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.636 8.354 7.389 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.796 8.582 5.837 1.00 0.00 H new ATOM 115 N ILE A 8 4.411 4.063 7.932 1.00 0.00 N ATOM 116 CA ILE A 8 3.471 3.026 8.337 1.00 0.00 C ATOM 117 C ILE A 8 2.959 3.276 9.752 1.00 0.00 C ATOM 118 O ILE A 8 3.740 3.513 10.674 1.00 0.00 O ATOM 119 CB ILE A 8 4.111 1.620 8.270 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.513 1.287 6.831 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.151 0.567 8.812 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.133 -0.085 6.677 1.00 0.00 C ATOM 0 H ILE A 8 5.371 3.905 8.237 1.00 0.00 H new ATOM 0 HA ILE A 8 2.636 3.065 7.637 1.00 0.00 H new ATOM 0 HB ILE A 8 5.007 1.619 8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.632 1.352 6.192 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.220 2.038 6.477 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.620 -0.416 8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.909 0.795 9.850 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.237 0.567 8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.393 -0.252 5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.033 -0.148 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.421 -0.844 7.000 1.00 0.00 H new ATOM 134 N LYS A 9 1.642 3.213 9.917 1.00 0.00 N ATOM 135 CA LYS A 9 1.024 3.423 11.220 1.00 0.00 C ATOM 136 C LYS A 9 0.772 2.090 11.914 1.00 0.00 C ATOM 137 O LYS A 9 0.943 1.965 13.127 1.00 0.00 O ATOM 138 CB LYS A 9 -0.291 4.190 11.070 1.00 0.00 C ATOM 139 CG LYS A 9 -0.126 5.565 10.444 1.00 0.00 C ATOM 140 CD LYS A 9 -1.457 6.288 10.336 1.00 0.00 C ATOM 141 CE LYS A 9 -1.294 7.663 9.710 1.00 0.00 C ATOM 142 NZ LYS A 9 -2.595 8.381 9.604 1.00 0.00 N ATOM 0 H LYS A 9 0.982 3.018 9.164 1.00 0.00 H new ATOM 0 HA LYS A 9 1.708 4.012 11.831 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.977 3.602 10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.752 4.300 12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.565 6.159 11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.317 5.465 9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.148 5.694 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.899 6.388 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.600 8.254 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.853 7.561 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.442 9.315 9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.249 7.829 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.004 8.501 10.553 1.00 0.00 H new ATOM 156 N ASN A 10 0.373 1.094 11.130 1.00 0.00 N ATOM 157 CA ASN A 10 0.102 -0.237 11.657 1.00 0.00 C ATOM 158 C ASN A 10 0.524 -1.301 10.649 1.00 0.00 C ATOM 159 O ASN A 10 -0.029 -1.384 9.552 1.00 0.00 O ATOM 160 CB ASN A 10 -1.384 -0.388 11.988 1.00 0.00 C ATOM 161 CG ASN A 10 -1.703 -1.738 12.599 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.456 -2.780 11.994 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.257 -1.724 13.805 1.00 0.00 N ATOM 0 H ASN A 10 0.230 1.185 10.124 1.00 0.00 H new ATOM 0 HA ASN A 10 0.679 -0.370 12.572 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.682 0.401 12.679 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.972 -0.255 11.080 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.496 -2.602 14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -2.444 -0.836 14.270 1.00 0.00 H new ATOM 170 N ALA A 11 1.510 -2.108 11.024 1.00 0.00 N ATOM 171 CA ALA A 11 2.009 -3.159 10.144 1.00 0.00 C ATOM 172 C ALA A 11 1.598 -4.541 10.631 1.00 0.00 C ATOM 173 O ALA A 11 1.818 -4.892 11.792 1.00 0.00 O ATOM 174 CB ALA A 11 3.521 -3.074 10.034 1.00 0.00 C ATOM 0 H ALA A 11 1.979 -2.055 11.928 1.00 0.00 H new ATOM 0 HA ALA A 11 1.565 -3.007 9.160 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.883 -3.863 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.802 -2.103 9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.965 -3.195 11.022 1.00 0.00 H new ATOM 180 N ASP A 12 1.003 -5.324 9.739 1.00 0.00 N ATOM 181 CA ASP A 12 0.564 -6.668 10.085 1.00 0.00 C ATOM 182 C ASP A 12 0.871 -7.669 8.966 1.00 0.00 C ATOM 183 O ASP A 12 0.634 -8.866 9.122 1.00 0.00 O ATOM 184 CB ASP A 12 -0.939 -6.657 10.392 1.00 0.00 C ATOM 185 CG ASP A 12 -1.455 -7.996 10.888 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.473 -8.961 10.098 1.00 0.00 O ATOM 187 OD2 ASP A 12 -1.842 -8.076 12.074 1.00 0.00 O ATOM 0 H ASP A 12 0.814 -5.052 8.774 1.00 0.00 H new ATOM 0 HA ASP A 12 1.115 -6.988 10.970 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.145 -5.894 11.143 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.486 -6.374 9.492 1.00 0.00 H new ATOM 192 N MET A 13 1.390 -7.190 7.831 1.00 0.00 N ATOM 193 CA MET A 13 1.691 -8.082 6.716 1.00 0.00 C ATOM 194 C MET A 13 3.091 -8.702 6.826 1.00 0.00 C ATOM 195 O MET A 13 3.937 -8.514 5.952 1.00 0.00 O ATOM 196 CB MET A 13 1.548 -7.340 5.389 1.00 0.00 C ATOM 197 CG MET A 13 1.600 -8.247 4.177 1.00 0.00 C ATOM 198 SD MET A 13 0.119 -9.254 3.998 1.00 0.00 S ATOM 199 CE MET A 13 -1.091 -7.981 3.655 1.00 0.00 C ATOM 0 H MET A 13 1.606 -6.207 7.665 1.00 0.00 H new ATOM 0 HA MET A 13 0.970 -8.899 6.755 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.603 -6.798 5.386 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.342 -6.597 5.311 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.733 -7.641 3.281 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.470 -8.899 4.253 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.907 -8.403 3.068 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.484 -7.590 4.594 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.620 -7.173 3.095 1.00 0.00 H new ATOM 209 N SER A 14 3.304 -9.471 7.892 1.00 0.00 N ATOM 210 CA SER A 14 4.571 -10.173 8.128 1.00 0.00 C ATOM 211 C SER A 14 5.806 -9.267 8.076 1.00 0.00 C ATOM 212 O SER A 14 6.926 -9.760 7.944 1.00 0.00 O ATOM 213 CB SER A 14 4.735 -11.302 7.116 1.00 0.00 C ATOM 214 OG SER A 14 4.742 -10.808 5.789 1.00 0.00 O ATOM 0 H SER A 14 2.605 -9.627 8.618 1.00 0.00 H new ATOM 0 HA SER A 14 4.512 -10.563 9.144 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.665 -11.836 7.312 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.923 -12.020 7.235 1.00 0.00 H new ATOM 0 HG SER A 14 4.869 -9.836 5.802 1.00 0.00 H new ATOM 220 N GLU A 15 5.612 -7.962 8.198 1.00 0.00 N ATOM 221 CA GLU A 15 6.729 -7.005 8.188 1.00 0.00 C ATOM 222 C GLU A 15 7.373 -6.874 6.803 1.00 0.00 C ATOM 223 O GLU A 15 7.553 -5.764 6.282 1.00 0.00 O ATOM 224 CB GLU A 15 7.792 -7.412 9.215 1.00 0.00 C ATOM 225 CG GLU A 15 8.949 -6.433 9.315 1.00 0.00 C ATOM 226 CD GLU A 15 9.985 -6.858 10.337 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.627 -6.991 11.525 1.00 0.00 O ATOM 228 OE2 GLU A 15 11.154 -7.061 9.948 1.00 0.00 O ATOM 0 H GLU A 15 4.693 -7.533 8.306 1.00 0.00 H new ATOM 0 HA GLU A 15 6.314 -6.032 8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.322 -7.507 10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.181 -8.396 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.425 -6.337 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.565 -5.448 9.580 1.00 0.00 H new ATOM 235 N ASP A 16 7.735 -8.006 6.217 1.00 0.00 N ATOM 236 CA ASP A 16 8.372 -8.028 4.902 1.00 0.00 C ATOM 237 C ASP A 16 7.615 -7.163 3.901 1.00 0.00 C ATOM 238 O ASP A 16 8.221 -6.445 3.106 1.00 0.00 O ATOM 239 CB ASP A 16 8.470 -9.465 4.384 1.00 0.00 C ATOM 240 CG ASP A 16 9.283 -10.356 5.301 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.893 -10.509 6.477 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.308 -10.903 4.843 1.00 0.00 O ATOM 0 H ASP A 16 7.599 -8.928 6.632 1.00 0.00 H new ATOM 0 HA ASP A 16 9.375 -7.616 5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.467 -9.878 4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.922 -9.461 3.392 1.00 0.00 H new ATOM 247 N MET A 17 6.288 -7.226 3.945 1.00 0.00 N ATOM 248 CA MET A 17 5.465 -6.436 3.040 1.00 0.00 C ATOM 249 C MET A 17 5.511 -4.963 3.410 1.00 0.00 C ATOM 250 O MET A 17 5.195 -4.099 2.595 1.00 0.00 O ATOM 251 CB MET A 17 4.028 -6.954 3.020 1.00 0.00 C ATOM 252 CG MET A 17 3.887 -8.278 2.274 1.00 0.00 C ATOM 253 SD MET A 17 4.714 -9.646 3.108 1.00 0.00 S ATOM 254 CE MET A 17 4.337 -10.999 2.000 1.00 0.00 C ATOM 0 H MET A 17 5.763 -7.813 4.594 1.00 0.00 H new ATOM 0 HA MET A 17 5.873 -6.540 2.034 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.678 -7.080 4.044 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.384 -6.209 2.553 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.829 -8.514 2.161 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.298 -8.169 1.270 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.217 -11.631 1.885 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.518 -11.589 2.411 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.046 -10.602 1.027 1.00 0.00 H new ATOM 264 N GLN A 18 5.951 -4.672 4.627 1.00 0.00 N ATOM 265 CA GLN A 18 6.089 -3.294 5.061 1.00 0.00 C ATOM 266 C GLN A 18 7.214 -2.675 4.260 1.00 0.00 C ATOM 267 O GLN A 18 7.077 -1.597 3.684 1.00 0.00 O ATOM 268 CB GLN A 18 6.415 -3.224 6.551 1.00 0.00 C ATOM 269 CG GLN A 18 5.494 -4.064 7.413 1.00 0.00 C ATOM 270 CD GLN A 18 4.034 -3.725 7.224 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.645 -2.559 7.263 1.00 0.00 O ATOM 272 NE2 GLN A 18 3.215 -4.756 7.040 1.00 0.00 N ATOM 0 H GLN A 18 6.216 -5.368 5.324 1.00 0.00 H new ATOM 0 HA GLN A 18 5.154 -2.757 4.901 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.443 -3.552 6.705 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.359 -2.186 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.649 -5.118 7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.760 -3.926 8.461 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.588 -5.705 7.015 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.214 -4.598 6.923 1.00 0.00 H new ATOM 281 N GLN A 19 8.330 -3.398 4.210 1.00 0.00 N ATOM 282 CA GLN A 19 9.497 -2.950 3.462 1.00 0.00 C ATOM 283 C GLN A 19 9.261 -3.079 1.959 1.00 0.00 C ATOM 284 O GLN A 19 9.663 -2.210 1.180 1.00 0.00 O ATOM 285 CB GLN A 19 10.734 -3.755 3.870 1.00 0.00 C ATOM 286 CG GLN A 19 11.078 -3.626 5.344 1.00 0.00 C ATOM 287 CD GLN A 19 12.302 -4.434 5.729 1.00 0.00 C ATOM 288 OE1 GLN A 19 13.395 -4.213 5.208 1.00 0.00 O ATOM 289 NE2 GLN A 19 12.125 -5.376 6.648 1.00 0.00 N ATOM 0 H GLN A 19 8.449 -4.296 4.679 1.00 0.00 H new ATOM 0 HA GLN A 19 9.666 -1.899 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.569 -4.806 3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.586 -3.425 3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.250 -2.576 5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.228 -3.954 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.201 -5.525 7.054 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.913 -5.950 6.948 1.00 0.00 H new ATOM 298 N ASP A 20 8.602 -4.162 1.556 1.00 0.00 N ATOM 299 CA ASP A 20 8.312 -4.392 0.146 1.00 0.00 C ATOM 300 C ASP A 20 7.334 -3.347 -0.374 1.00 0.00 C ATOM 301 O ASP A 20 7.601 -2.664 -1.362 1.00 0.00 O ATOM 302 CB ASP A 20 7.741 -5.795 -0.063 1.00 0.00 C ATOM 303 CG ASP A 20 7.465 -6.098 -1.522 1.00 0.00 C ATOM 304 OD1 ASP A 20 8.420 -6.062 -2.328 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.295 -6.374 -1.862 1.00 0.00 O ATOM 0 H ASP A 20 8.261 -4.890 2.183 1.00 0.00 H new ATOM 0 HA ASP A 20 9.244 -4.308 -0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.441 -6.531 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.817 -5.896 0.507 1.00 0.00 H new ATOM 310 N ALA A 21 6.200 -3.224 0.309 1.00 0.00 N ATOM 311 CA ALA A 21 5.177 -2.258 -0.071 1.00 0.00 C ATOM 312 C ALA A 21 5.769 -0.858 -0.189 1.00 0.00 C ATOM 313 O ALA A 21 5.484 -0.134 -1.142 1.00 0.00 O ATOM 314 CB ALA A 21 4.038 -2.270 0.935 1.00 0.00 C ATOM 0 H ALA A 21 5.967 -3.783 1.130 1.00 0.00 H new ATOM 0 HA ALA A 21 4.784 -2.544 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.282 -1.543 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.592 -3.264 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.421 -2.011 1.922 1.00 0.00 H new ATOM 320 N VAL A 22 6.606 -0.486 0.779 1.00 0.00 N ATOM 321 CA VAL A 22 7.245 0.827 0.764 1.00 0.00 C ATOM 322 C VAL A 22 7.988 1.047 -0.550 1.00 0.00 C ATOM 323 O VAL A 22 7.760 2.039 -1.243 1.00 0.00 O ATOM 324 CB VAL A 22 8.224 1.002 1.946 1.00 0.00 C ATOM 325 CG1 VAL A 22 9.008 2.303 1.818 1.00 0.00 C ATOM 326 CG2 VAL A 22 7.471 0.967 3.268 1.00 0.00 C ATOM 0 H VAL A 22 6.855 -1.071 1.577 1.00 0.00 H new ATOM 0 HA VAL A 22 6.454 1.570 0.864 1.00 0.00 H new ATOM 0 HB VAL A 22 8.933 0.174 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.690 2.402 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.579 2.294 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.316 3.145 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.175 1.092 4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.739 1.774 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.959 0.010 3.370 1.00 0.00 H new ATOM 336 N ASP A 23 8.871 0.113 -0.895 1.00 0.00 N ATOM 337 CA ASP A 23 9.630 0.215 -2.136 1.00 0.00 C ATOM 338 C ASP A 23 8.698 0.159 -3.334 1.00 0.00 C ATOM 339 O ASP A 23 8.955 0.789 -4.357 1.00 0.00 O ATOM 340 CB ASP A 23 10.679 -0.894 -2.222 1.00 0.00 C ATOM 341 CG ASP A 23 11.672 -0.841 -1.077 1.00 0.00 C ATOM 342 OD1 ASP A 23 12.363 0.190 -0.938 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.758 -1.829 -0.319 1.00 0.00 O ATOM 0 H ASP A 23 9.077 -0.716 -0.337 1.00 0.00 H new ATOM 0 HA ASP A 23 10.147 1.175 -2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.180 -1.863 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.214 -0.811 -3.168 1.00 0.00 H new ATOM 348 N CYS A 24 7.602 -0.574 -3.198 1.00 0.00 N ATOM 349 CA CYS A 24 6.629 -0.663 -4.274 1.00 0.00 C ATOM 350 C CYS A 24 5.907 0.670 -4.400 1.00 0.00 C ATOM 351 O CYS A 24 5.534 1.092 -5.494 1.00 0.00 O ATOM 352 CB CYS A 24 5.632 -1.792 -4.014 1.00 0.00 C ATOM 353 SG CYS A 24 6.386 -3.432 -3.902 1.00 0.00 S ATOM 0 H CYS A 24 7.367 -1.110 -2.362 1.00 0.00 H new ATOM 0 HA CYS A 24 7.145 -0.887 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.099 -1.585 -3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.891 -1.799 -4.813 1.00 0.00 H new ATOM 0 HG CYS A 24 7.159 -3.484 -2.858 1.00 0.00 H new ATOM 359 N ALA A 25 5.746 1.343 -3.264 1.00 0.00 N ATOM 360 CA ALA A 25 5.109 2.646 -3.229 1.00 0.00 C ATOM 361 C ALA A 25 6.113 3.724 -3.623 1.00 0.00 C ATOM 362 O ALA A 25 5.739 4.775 -4.143 1.00 0.00 O ATOM 363 CB ALA A 25 4.537 2.923 -1.845 1.00 0.00 C ATOM 0 H ALA A 25 6.052 1.001 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 25 4.286 2.657 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.063 3.905 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.798 2.161 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.340 2.902 -1.108 1.00 0.00 H new ATOM 369 N THR A 26 7.399 3.443 -3.394 1.00 0.00 N ATOM 370 CA THR A 26 8.456 4.380 -3.746 1.00 0.00 C ATOM 371 C THR A 26 8.698 4.329 -5.247 1.00 0.00 C ATOM 372 O THR A 26 8.765 5.362 -5.915 1.00 0.00 O ATOM 373 CB THR A 26 9.744 4.045 -2.991 1.00 0.00 C ATOM 374 OG1 THR A 26 9.537 4.108 -1.592 1.00 0.00 O ATOM 375 CG2 THR A 26 10.893 4.969 -3.328 1.00 0.00 C ATOM 0 H THR A 26 7.727 2.576 -2.968 1.00 0.00 H new ATOM 0 HA THR A 26 8.147 5.387 -3.464 1.00 0.00 H new ATOM 0 HB THR A 26 10.008 3.035 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.847 3.462 -1.334 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.775 4.676 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.111 4.904 -4.394 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.622 5.994 -3.075 1.00 0.00 H new ATOM 383 N GLN A 27 8.805 3.115 -5.775 1.00 0.00 N ATOM 384 CA GLN A 27 9.013 2.921 -7.202 1.00 0.00 C ATOM 385 C GLN A 27 7.741 3.267 -7.967 1.00 0.00 C ATOM 386 O GLN A 27 7.792 3.670 -9.128 1.00 0.00 O ATOM 387 CB GLN A 27 9.424 1.477 -7.495 1.00 0.00 C ATOM 388 CG GLN A 27 10.730 1.069 -6.833 1.00 0.00 C ATOM 389 CD GLN A 27 11.108 -0.370 -7.128 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.373 -1.297 -6.792 1.00 0.00 O ATOM 391 NE2 GLN A 27 12.261 -0.563 -7.759 1.00 0.00 N ATOM 0 H GLN A 27 8.751 2.251 -5.235 1.00 0.00 H new ATOM 0 HA GLN A 27 9.816 3.582 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.632 0.808 -7.160 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.517 1.346 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.528 1.728 -7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.645 1.205 -5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.840 0.236 -8.019 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.567 -1.510 -7.983 1.00 0.00 H new ATOM 400 N ALA A 28 6.597 3.118 -7.299 1.00 0.00 N ATOM 401 CA ALA A 28 5.314 3.429 -7.913 1.00 0.00 C ATOM 402 C ALA A 28 5.178 4.931 -8.137 1.00 0.00 C ATOM 403 O ALA A 28 4.778 5.374 -9.214 1.00 0.00 O ATOM 404 CB ALA A 28 4.173 2.916 -7.047 1.00 0.00 C ATOM 0 H ALA A 28 6.536 2.785 -6.337 1.00 0.00 H new ATOM 0 HA ALA A 28 5.266 2.931 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.221 3.156 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.259 1.835 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.220 3.388 -6.066 1.00 0.00 H new ATOM 410 N MET A 29 5.528 5.706 -7.117 1.00 0.00 N ATOM 411 CA MET A 29 5.458 7.160 -7.202 1.00 0.00 C ATOM 412 C MET A 29 6.612 7.709 -8.037 1.00 0.00 C ATOM 413 O MET A 29 6.535 8.817 -8.569 1.00 0.00 O ATOM 414 CB MET A 29 5.483 7.779 -5.804 1.00 0.00 C ATOM 415 CG MET A 29 4.292 7.386 -4.943 1.00 0.00 C ATOM 416 SD MET A 29 2.721 7.905 -5.657 1.00 0.00 S ATOM 417 CE MET A 29 2.956 9.679 -5.742 1.00 0.00 C ATOM 0 H MET A 29 5.863 5.352 -6.221 1.00 0.00 H new ATOM 0 HA MET A 29 4.520 7.426 -7.689 1.00 0.00 H new ATOM 0 HB2 MET A 29 6.401 7.478 -5.299 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.511 8.865 -5.897 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.286 6.304 -4.809 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.401 7.829 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.988 10.177 -5.692 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.575 10.004 -4.906 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.448 9.936 -6.680 1.00 0.00 H new ATOM 427 N GLU A 30 7.680 6.923 -8.156 1.00 0.00 N ATOM 428 CA GLU A 30 8.842 7.327 -8.936 1.00 0.00 C ATOM 429 C GLU A 30 8.597 7.079 -10.419 1.00 0.00 C ATOM 430 O GLU A 30 8.823 7.954 -11.254 1.00 0.00 O ATOM 431 CB GLU A 30 10.087 6.566 -8.474 1.00 0.00 C ATOM 432 CG GLU A 30 11.344 6.919 -9.252 1.00 0.00 C ATOM 433 CD GLU A 30 11.715 8.385 -9.132 1.00 0.00 C ATOM 434 OE1 GLU A 30 10.901 9.238 -9.540 1.00 0.00 O ATOM 435 OE2 GLU A 30 12.819 8.678 -8.628 1.00 0.00 O ATOM 0 H GLU A 30 7.762 6.004 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 30 9.007 8.393 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.255 6.771 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.902 5.496 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.172 6.308 -8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.197 6.670 -10.303 1.00 0.00 H new ATOM 442 N LYS A 31 8.124 5.878 -10.736 1.00 0.00 N ATOM 443 CA LYS A 31 7.836 5.511 -12.117 1.00 0.00 C ATOM 444 C LYS A 31 6.542 6.167 -12.591 1.00 0.00 C ATOM 445 O LYS A 31 6.363 6.418 -13.782 1.00 0.00 O ATOM 446 CB LYS A 31 7.729 3.990 -12.253 1.00 0.00 C ATOM 447 CG LYS A 31 8.998 3.254 -11.852 1.00 0.00 C ATOM 448 CD LYS A 31 8.817 1.742 -11.879 1.00 0.00 C ATOM 449 CE LYS A 31 8.533 1.220 -13.281 1.00 0.00 C ATOM 450 NZ LYS A 31 7.162 1.566 -13.750 1.00 0.00 N ATOM 0 H LYS A 31 7.932 5.143 -10.055 1.00 0.00 H new ATOM 0 HA LYS A 31 8.656 5.866 -12.741 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.903 3.635 -11.637 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.486 3.742 -13.286 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.807 3.534 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.296 3.565 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.716 1.263 -11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.997 1.464 -11.217 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.266 1.632 -13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.656 0.137 -13.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.751 0.752 -14.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.566 1.807 -12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.211 2.380 -14.395 1.00 0.00 H new ATOM 464 N TYR A 32 5.643 6.445 -11.650 1.00 0.00 N ATOM 465 CA TYR A 32 4.368 7.074 -11.972 1.00 0.00 C ATOM 466 C TYR A 32 3.990 8.098 -10.909 1.00 0.00 C ATOM 467 O TYR A 32 4.525 8.079 -9.801 1.00 0.00 O ATOM 468 CB TYR A 32 3.267 6.019 -12.097 1.00 0.00 C ATOM 469 CG TYR A 32 3.527 4.998 -13.183 1.00 0.00 C ATOM 470 CD1 TYR A 32 3.664 5.388 -14.510 1.00 0.00 C ATOM 471 CD2 TYR A 32 3.632 3.647 -12.882 1.00 0.00 C ATOM 472 CE1 TYR A 32 3.901 4.458 -15.504 1.00 0.00 C ATOM 473 CE2 TYR A 32 3.869 2.712 -13.871 1.00 0.00 C ATOM 474 CZ TYR A 32 4.002 3.123 -15.179 1.00 0.00 C ATOM 475 OH TYR A 32 4.239 2.193 -16.166 1.00 0.00 O ATOM 0 H TYR A 32 5.775 6.244 -10.659 1.00 0.00 H new ATOM 0 HA TYR A 32 4.474 7.587 -12.928 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.160 5.503 -11.143 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.319 6.518 -12.298 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.584 6.434 -14.768 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.527 3.321 -11.858 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.007 4.776 -16.531 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.950 1.665 -13.620 1.00 0.00 H new ATOM 0 HH TYR A 32 4.283 1.298 -15.769 1.00 0.00 H new ATOM 485 N ASN A 33 3.067 8.992 -11.248 1.00 0.00 N ATOM 486 CA ASN A 33 2.628 10.020 -10.313 1.00 0.00 C ATOM 487 C ASN A 33 1.150 10.347 -10.526 1.00 0.00 C ATOM 488 O ASN A 33 0.709 11.470 -10.284 1.00 0.00 O ATOM 489 CB ASN A 33 3.482 11.281 -10.481 1.00 0.00 C ATOM 490 CG ASN A 33 3.320 12.262 -9.334 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.409 12.514 -8.616 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.235 12.790 -9.096 1.00 0.00 N flip ATOM 0 H ASN A 33 2.610 9.025 -12.160 1.00 0.00 H new ATOM 0 HA ASN A 33 2.751 9.642 -9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.531 10.995 -10.562 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.213 11.774 -11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.423 12.569 -9.672 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.147 13.449 -8.322 1.00 0.00 H new ATOM 499 N ILE A 34 0.389 9.358 -10.982 1.00 0.00 N ATOM 500 CA ILE A 34 -1.034 9.547 -11.224 1.00 0.00 C ATOM 501 C ILE A 34 -1.859 9.122 -10.009 1.00 0.00 C ATOM 502 O ILE A 34 -2.184 9.949 -9.157 1.00 0.00 O ATOM 503 CB ILE A 34 -1.498 8.770 -12.475 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.647 9.167 -13.683 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.975 9.025 -12.748 1.00 0.00 C ATOM 506 CD1 ILE A 34 -1.070 8.498 -14.972 1.00 0.00 C ATOM 0 H ILE A 34 0.734 8.421 -11.190 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.194 10.611 -11.400 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.369 7.703 -12.293 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.697 10.248 -13.812 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.395 8.918 -13.480 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.283 8.469 -13.633 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.565 8.699 -11.891 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.136 10.090 -12.915 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.421 8.828 -15.783 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.993 7.416 -14.863 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.101 8.767 -15.200 1.00 0.00 H new ATOM 518 N GLU A 35 -2.187 7.834 -9.930 1.00 0.00 N ATOM 519 CA GLU A 35 -2.967 7.297 -8.815 1.00 0.00 C ATOM 520 C GLU A 35 -3.369 5.851 -9.090 1.00 0.00 C ATOM 521 O GLU A 35 -3.361 5.011 -8.191 1.00 0.00 O ATOM 522 CB GLU A 35 -4.221 8.141 -8.568 1.00 0.00 C ATOM 523 CG GLU A 35 -5.125 8.258 -9.783 1.00 0.00 C ATOM 524 CD GLU A 35 -6.359 9.096 -9.513 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.144 8.726 -8.616 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.540 10.124 -10.199 1.00 0.00 O ATOM 0 H GLU A 35 -1.923 7.139 -10.628 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.341 7.331 -7.924 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.787 7.704 -7.745 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.920 9.140 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.564 8.699 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.430 7.261 -10.102 1.00 0.00 H new ATOM 533 N LYS A 36 -3.719 5.571 -10.341 1.00 0.00 N ATOM 534 CA LYS A 36 -4.124 4.229 -10.742 1.00 0.00 C ATOM 535 C LYS A 36 -2.901 3.362 -11.010 1.00 0.00 C ATOM 536 O LYS A 36 -2.816 2.229 -10.535 1.00 0.00 O ATOM 537 CB LYS A 36 -5.014 4.287 -11.987 1.00 0.00 C ATOM 538 CG LYS A 36 -4.340 4.927 -13.191 1.00 0.00 C ATOM 539 CD LYS A 36 -5.279 4.994 -14.384 1.00 0.00 C ATOM 540 CE LYS A 36 -5.734 3.608 -14.816 1.00 0.00 C ATOM 541 NZ LYS A 36 -6.646 3.666 -15.991 1.00 0.00 N ATOM 0 H LYS A 36 -3.730 6.257 -11.096 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.695 3.785 -9.927 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.323 3.275 -12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.920 4.845 -11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.007 5.932 -12.932 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.451 4.356 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.148 5.600 -14.130 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.777 5.489 -15.216 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.863 3.000 -15.062 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.242 3.117 -13.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.934 2.702 -16.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.489 4.225 -15.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.153 4.111 -16.791 1.00 0.00 H new ATOM 555 N ASP A 37 -1.947 3.906 -11.761 1.00 0.00 N ATOM 556 CA ASP A 37 -0.722 3.183 -12.072 1.00 0.00 C ATOM 557 C ASP A 37 -0.007 2.774 -10.788 1.00 0.00 C ATOM 558 O ASP A 37 0.736 1.792 -10.761 1.00 0.00 O ATOM 559 CB ASP A 37 0.204 4.044 -12.934 1.00 0.00 C ATOM 560 CG ASP A 37 -0.416 4.407 -14.270 1.00 0.00 C ATOM 561 OD1 ASP A 37 -1.557 3.974 -14.534 1.00 0.00 O ATOM 562 OD2 ASP A 37 0.244 5.121 -15.055 1.00 0.00 O ATOM 0 H ASP A 37 -2.000 4.842 -12.163 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.986 2.285 -12.631 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.454 4.957 -12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.138 3.509 -13.104 1.00 0.00 H new ATOM 567 N ILE A 38 -0.248 3.533 -9.722 1.00 0.00 N ATOM 568 CA ILE A 38 0.358 3.255 -8.429 1.00 0.00 C ATOM 569 C ILE A 38 -0.198 1.963 -7.845 1.00 0.00 C ATOM 570 O ILE A 38 0.545 1.018 -7.583 1.00 0.00 O ATOM 571 CB ILE A 38 0.111 4.406 -7.435 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.573 5.736 -8.034 1.00 0.00 C ATOM 573 CG2 ILE A 38 0.824 4.137 -6.117 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.044 5.763 -8.387 1.00 0.00 C ATOM 0 H ILE A 38 -0.862 4.348 -9.732 1.00 0.00 H new ATOM 0 HA ILE A 38 1.431 3.153 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.959 4.469 -7.238 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.011 5.943 -8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.363 6.537 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.638 4.961 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.450 3.210 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.896 4.048 -6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.300 6.736 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.637 5.587 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.257 4.985 -9.120 1.00 0.00 H new ATOM 586 N ALA A 39 -1.512 1.929 -7.642 1.00 0.00 N ATOM 587 CA ALA A 39 -2.168 0.749 -7.087 1.00 0.00 C ATOM 588 C ALA A 39 -1.981 -0.467 -7.990 1.00 0.00 C ATOM 589 O ALA A 39 -2.123 -1.607 -7.547 1.00 0.00 O ATOM 590 CB ALA A 39 -3.648 1.025 -6.868 1.00 0.00 C ATOM 0 H ALA A 39 -2.142 2.703 -7.853 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.703 0.525 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.126 0.137 -6.454 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.764 1.857 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.116 1.278 -7.819 1.00 0.00 H new ATOM 596 N ALA A 40 -1.664 -0.221 -9.259 1.00 0.00 N ATOM 597 CA ALA A 40 -1.462 -1.302 -10.216 1.00 0.00 C ATOM 598 C ALA A 40 -0.086 -1.927 -10.057 1.00 0.00 C ATOM 599 O ALA A 40 0.053 -3.146 -10.068 1.00 0.00 O ATOM 600 CB ALA A 40 -1.657 -0.795 -11.637 1.00 0.00 C ATOM 0 H ALA A 40 -1.542 0.715 -9.646 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.205 -2.074 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.503 -1.614 -12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.669 -0.406 -11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.939 -0.001 -11.842 1.00 0.00 H new ATOM 606 N TYR A 41 0.926 -1.091 -9.902 1.00 0.00 N ATOM 607 CA TYR A 41 2.286 -1.585 -9.734 1.00 0.00 C ATOM 608 C TYR A 41 2.429 -2.282 -8.387 1.00 0.00 C ATOM 609 O TYR A 41 3.236 -3.196 -8.231 1.00 0.00 O ATOM 610 CB TYR A 41 3.292 -0.437 -9.852 1.00 0.00 C ATOM 611 CG TYR A 41 4.738 -0.879 -9.803 1.00 0.00 C ATOM 612 CD1 TYR A 41 5.284 -1.428 -8.648 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.557 -0.751 -10.918 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.604 -1.834 -8.608 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.879 -1.156 -10.884 1.00 0.00 C ATOM 616 CZ TYR A 41 7.397 -1.696 -9.726 1.00 0.00 C ATOM 617 OH TYR A 41 8.712 -2.101 -9.688 1.00 0.00 O ATOM 0 H TYR A 41 0.836 -0.075 -9.889 1.00 0.00 H new ATOM 0 HA TYR A 41 2.495 -2.306 -10.524 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.116 0.092 -10.789 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.113 0.274 -9.046 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.667 -1.539 -7.769 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.155 -0.328 -11.827 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.013 -2.258 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.502 -1.050 -11.760 1.00 0.00 H new ATOM 0 HH TYR A 41 9.131 -1.936 -10.559 1.00 0.00 H new ATOM 627 N ILE A 42 1.620 -1.859 -7.422 1.00 0.00 N ATOM 628 CA ILE A 42 1.637 -2.456 -6.096 1.00 0.00 C ATOM 629 C ILE A 42 0.803 -3.727 -6.099 1.00 0.00 C ATOM 630 O ILE A 42 1.232 -4.772 -5.606 1.00 0.00 O ATOM 631 CB ILE A 42 1.086 -1.481 -5.036 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.885 -0.178 -5.049 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.125 -2.118 -3.654 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.309 0.894 -4.150 1.00 0.00 C ATOM 0 H ILE A 42 0.944 -1.104 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 42 2.671 -2.689 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 42 0.048 -1.254 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.910 -0.387 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.930 0.201 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.733 -1.416 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.517 -3.022 -3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.154 -2.373 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.927 1.790 -4.210 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.295 1.131 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.290 0.534 -3.121 1.00 0.00 H new ATOM 646 N LYS A 43 -0.384 -3.632 -6.683 1.00 0.00 N ATOM 647 CA LYS A 43 -1.281 -4.771 -6.782 1.00 0.00 C ATOM 648 C LYS A 43 -0.680 -5.822 -7.703 1.00 0.00 C ATOM 649 O LYS A 43 -0.875 -7.020 -7.506 1.00 0.00 O ATOM 650 CB LYS A 43 -2.648 -4.331 -7.308 1.00 0.00 C ATOM 651 CG LYS A 43 -3.648 -5.468 -7.432 1.00 0.00 C ATOM 652 CD LYS A 43 -4.992 -4.975 -7.942 1.00 0.00 C ATOM 653 CE LYS A 43 -5.994 -6.111 -8.061 1.00 0.00 C ATOM 654 NZ LYS A 43 -7.315 -5.637 -8.559 1.00 0.00 N ATOM 0 H LYS A 43 -0.747 -2.773 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.415 -5.200 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.056 -3.571 -6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.519 -3.864 -8.284 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.256 -6.226 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.779 -5.946 -6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.382 -4.214 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.861 -4.500 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.603 -6.871 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.122 -6.586 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.970 -6.442 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.701 -4.930 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.198 -5.207 -9.499 1.00 0.00 H new ATOM 668 N LYS A 44 0.062 -5.366 -8.711 1.00 0.00 N ATOM 669 CA LYS A 44 0.692 -6.281 -9.655 1.00 0.00 C ATOM 670 C LYS A 44 1.975 -6.873 -9.078 1.00 0.00 C ATOM 671 O LYS A 44 2.336 -8.006 -9.390 1.00 0.00 O ATOM 672 CB LYS A 44 0.984 -5.576 -10.981 1.00 0.00 C ATOM 673 CG LYS A 44 -0.265 -5.262 -11.790 1.00 0.00 C ATOM 674 CD LYS A 44 0.070 -4.506 -13.065 1.00 0.00 C ATOM 675 CE LYS A 44 1.000 -5.308 -13.961 1.00 0.00 C ATOM 676 NZ LYS A 44 1.325 -4.580 -15.219 1.00 0.00 N ATOM 0 H LYS A 44 0.239 -4.378 -8.892 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.006 -7.097 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.519 -4.648 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.646 -6.203 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.780 -6.190 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.952 -4.670 -11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.849 -4.277 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.538 -3.554 -12.813 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.921 -5.530 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.535 -6.263 -14.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.961 -5.161 -15.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.449 -4.390 -15.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.792 -3.680 -14.988 1.00 0.00 H new ATOM 690 N GLU A 45 2.663 -6.108 -8.239 1.00 0.00 N ATOM 691 CA GLU A 45 3.904 -6.580 -7.632 1.00 0.00 C ATOM 692 C GLU A 45 3.625 -7.688 -6.619 1.00 0.00 C ATOM 693 O GLU A 45 4.424 -8.611 -6.462 1.00 0.00 O ATOM 694 CB GLU A 45 4.647 -5.418 -6.962 1.00 0.00 C ATOM 695 CG GLU A 45 6.032 -5.782 -6.446 1.00 0.00 C ATOM 696 CD GLU A 45 5.997 -6.725 -5.258 1.00 0.00 C ATOM 697 OE1 GLU A 45 5.416 -6.349 -4.219 1.00 0.00 O ATOM 698 OE2 GLU A 45 6.548 -7.839 -5.369 1.00 0.00 O ATOM 0 H GLU A 45 2.387 -5.165 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 45 4.535 -6.989 -8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.740 -4.600 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.047 -5.048 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.603 -6.243 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.559 -4.871 -6.163 1.00 0.00 H new ATOM 705 N PHE A 46 2.490 -7.594 -5.931 1.00 0.00 N ATOM 706 CA PHE A 46 2.120 -8.594 -4.932 1.00 0.00 C ATOM 707 C PHE A 46 1.330 -9.748 -5.549 1.00 0.00 C ATOM 708 O PHE A 46 1.573 -10.913 -5.232 1.00 0.00 O ATOM 709 CB PHE A 46 1.311 -7.953 -3.801 1.00 0.00 C ATOM 710 CG PHE A 46 2.139 -7.121 -2.860 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.856 -6.027 -3.318 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.202 -7.438 -1.513 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.621 -5.267 -2.451 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.963 -6.683 -0.640 1.00 0.00 C ATOM 715 CZ PHE A 46 3.673 -5.596 -1.109 1.00 0.00 C ATOM 0 H PHE A 46 1.813 -6.840 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 46 3.046 -9.001 -4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.531 -7.327 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.811 -8.738 -3.234 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.817 -5.764 -4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.649 -8.287 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.177 -4.418 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.002 -6.943 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.268 -5.004 -0.429 1.00 0.00 H new ATOM 725 N ASP A 47 0.376 -9.426 -6.421 1.00 0.00 N ATOM 726 CA ASP A 47 -0.445 -10.452 -7.060 1.00 0.00 C ATOM 727 C ASP A 47 0.364 -11.299 -8.042 1.00 0.00 C ATOM 728 O ASP A 47 0.016 -12.448 -8.310 1.00 0.00 O ATOM 729 CB ASP A 47 -1.640 -9.822 -7.776 1.00 0.00 C ATOM 730 CG ASP A 47 -2.665 -9.263 -6.807 1.00 0.00 C ATOM 731 OD1 ASP A 47 -3.167 -10.035 -5.965 1.00 0.00 O ATOM 732 OD2 ASP A 47 -2.969 -8.055 -6.892 1.00 0.00 O ATOM 0 H ASP A 47 0.154 -8.470 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.808 -11.109 -6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.289 -9.024 -8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.115 -10.569 -8.412 1.00 0.00 H new ATOM 737 N LYS A 48 1.445 -10.734 -8.573 1.00 0.00 N ATOM 738 CA LYS A 48 2.290 -11.458 -9.521 1.00 0.00 C ATOM 739 C LYS A 48 3.402 -12.221 -8.805 1.00 0.00 C ATOM 740 O LYS A 48 4.466 -12.462 -9.376 1.00 0.00 O ATOM 741 CB LYS A 48 2.893 -10.495 -10.546 1.00 0.00 C ATOM 742 CG LYS A 48 1.856 -9.794 -11.407 1.00 0.00 C ATOM 743 CD LYS A 48 1.052 -10.786 -12.230 1.00 0.00 C ATOM 744 CE LYS A 48 0.013 -10.084 -13.088 1.00 0.00 C ATOM 745 NZ LYS A 48 0.639 -9.138 -14.053 1.00 0.00 N ATOM 0 H LYS A 48 1.756 -9.785 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 48 1.660 -12.181 -10.039 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.485 -9.745 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.576 -11.046 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.184 -9.218 -10.772 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.352 -9.086 -12.071 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.724 -11.361 -12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.558 -11.495 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.570 -10.827 -13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.682 -9.542 -12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.061 -8.860 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.969 -8.292 -13.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.446 -9.600 -14.518 1.00 0.00 H new ATOM 759 N LYS A 49 3.152 -12.604 -7.555 1.00 0.00 N ATOM 760 CA LYS A 49 4.134 -13.343 -6.771 1.00 0.00 C ATOM 761 C LYS A 49 3.453 -14.150 -5.672 1.00 0.00 C ATOM 762 O LYS A 49 3.769 -15.322 -5.463 1.00 0.00 O ATOM 763 CB LYS A 49 5.161 -12.387 -6.161 1.00 0.00 C ATOM 764 CG LYS A 49 5.968 -11.616 -7.194 1.00 0.00 C ATOM 765 CD LYS A 49 6.999 -10.713 -6.535 1.00 0.00 C ATOM 766 CE LYS A 49 7.800 -9.940 -7.570 1.00 0.00 C ATOM 767 NZ LYS A 49 6.929 -9.080 -8.418 1.00 0.00 N ATOM 0 H LYS A 49 2.278 -12.414 -7.065 1.00 0.00 H new ATOM 0 HA LYS A 49 4.649 -14.034 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.645 -11.678 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.844 -12.956 -5.530 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.470 -12.316 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.296 -11.016 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.498 -10.015 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.674 -11.313 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.542 -9.320 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.346 -10.640 -8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.434 -8.203 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.685 -9.588 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.058 -8.848 -7.898 1.00 0.00 H new ATOM 781 N TYR A 50 2.515 -13.519 -4.971 1.00 0.00 N ATOM 782 CA TYR A 50 1.790 -14.184 -3.895 1.00 0.00 C ATOM 783 C TYR A 50 0.392 -14.609 -4.343 1.00 0.00 C ATOM 784 O TYR A 50 -0.414 -15.065 -3.533 1.00 0.00 O ATOM 785 CB TYR A 50 1.689 -13.266 -2.675 1.00 0.00 C ATOM 786 CG TYR A 50 3.030 -12.853 -2.115 1.00 0.00 C ATOM 787 CD1 TYR A 50 3.911 -12.087 -2.866 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.417 -13.233 -0.836 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.141 -11.712 -2.359 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.644 -12.860 -0.322 1.00 0.00 C ATOM 791 CZ TYR A 50 5.503 -12.100 -1.086 1.00 0.00 C ATOM 792 OH TYR A 50 6.725 -11.728 -0.578 1.00 0.00 O ATOM 0 H TYR A 50 2.240 -12.550 -5.129 1.00 0.00 H new ATOM 0 HA TYR A 50 2.347 -15.081 -3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.128 -12.372 -2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.120 -13.773 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.631 -11.779 -3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.748 -13.830 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.816 -11.118 -2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.929 -13.163 0.675 1.00 0.00 H new ATOM 0 HH TYR A 50 6.823 -12.082 0.331 1.00 0.00 H new ATOM 802 N ASN A 51 0.109 -14.462 -5.636 1.00 0.00 N ATOM 803 CA ASN A 51 -1.189 -14.838 -6.182 1.00 0.00 C ATOM 804 C ASN A 51 -2.313 -14.024 -5.542 1.00 0.00 C ATOM 805 O ASN A 51 -2.182 -13.548 -4.414 1.00 0.00 O ATOM 806 CB ASN A 51 -1.441 -16.330 -5.970 1.00 0.00 C ATOM 807 CG ASN A 51 -0.399 -17.195 -6.652 1.00 0.00 C ATOM 808 OD1 ASN A 51 0.791 -17.105 -6.353 1.00 0.00 O ATOM 809 ND2 ASN A 51 -0.843 -18.041 -7.575 1.00 0.00 N ATOM 0 H ASN A 51 0.762 -14.085 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.178 -14.625 -7.251 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.446 -16.547 -4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.429 -16.587 -6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.188 -18.649 -8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.839 -18.083 -7.792 1.00 0.00 H new ATOM 816 N PRO A 52 -3.439 -13.862 -6.257 1.00 0.00 N ATOM 817 CA PRO A 52 -4.597 -13.106 -5.760 1.00 0.00 C ATOM 818 C PRO A 52 -5.165 -13.706 -4.471 1.00 0.00 C ATOM 819 O PRO A 52 -4.722 -14.771 -4.040 1.00 0.00 O ATOM 820 CB PRO A 52 -5.619 -13.216 -6.901 1.00 0.00 C ATOM 821 CG PRO A 52 -5.170 -14.375 -7.722 1.00 0.00 C ATOM 822 CD PRO A 52 -3.674 -14.402 -7.607 1.00 0.00 C ATOM 0 HA PRO A 52 -4.336 -12.078 -5.509 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.625 -13.375 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.647 -12.302 -7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.607 -15.305 -7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.480 -14.262 -8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.279 -15.412 -7.713 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.199 -13.792 -8.375 1.00 0.00 H new ATOM 830 N THR A 53 -6.144 -13.034 -3.848 1.00 0.00 N ATOM 831 CA THR A 53 -6.687 -11.765 -4.342 1.00 0.00 C ATOM 832 C THR A 53 -6.421 -10.637 -3.349 1.00 0.00 C ATOM 833 O THR A 53 -6.909 -10.663 -2.220 1.00 0.00 O ATOM 834 CB THR A 53 -8.195 -11.894 -4.578 1.00 0.00 C ATOM 835 OG1 THR A 53 -8.475 -12.933 -5.499 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.829 -10.628 -5.112 1.00 0.00 C ATOM 0 H THR A 53 -6.581 -13.358 -2.985 1.00 0.00 H new ATOM 0 HA THR A 53 -6.191 -11.527 -5.283 1.00 0.00 H new ATOM 0 HB THR A 53 -8.620 -12.110 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.444 -12.999 -5.633 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.897 -10.789 -5.256 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.677 -9.817 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.370 -10.365 -6.065 1.00 0.00 H new ATOM 844 N TRP A 54 -5.651 -9.644 -3.782 1.00 0.00 N ATOM 845 CA TRP A 54 -5.326 -8.504 -2.933 1.00 0.00 C ATOM 846 C TRP A 54 -6.052 -7.252 -3.415 1.00 0.00 C ATOM 847 O TRP A 54 -6.371 -7.125 -4.597 1.00 0.00 O ATOM 848 CB TRP A 54 -3.816 -8.255 -2.927 1.00 0.00 C ATOM 849 CG TRP A 54 -3.014 -9.447 -2.500 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.999 -10.676 -3.091 1.00 0.00 C ATOM 851 CD2 TRP A 54 -2.106 -9.520 -1.395 1.00 0.00 C ATOM 852 NE1 TRP A 54 -2.138 -11.512 -2.422 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.578 -10.826 -1.377 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.686 -8.613 -0.418 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.655 -11.244 -0.421 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.769 -9.029 0.528 1.00 0.00 C ATOM 857 CH2 TRP A 54 -0.262 -10.334 0.520 1.00 0.00 C ATOM 0 H TRP A 54 -5.241 -9.606 -4.715 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.653 -8.733 -1.919 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.502 -7.955 -3.927 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.596 -7.421 -2.260 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.580 -10.952 -3.959 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.947 -12.484 -2.664 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.072 -7.604 -0.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.264 -12.251 -0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.438 -8.336 1.287 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.454 -10.628 1.273 1.00 0.00 H new ATOM 868 N HIS A 55 -6.307 -6.329 -2.495 1.00 0.00 N ATOM 869 CA HIS A 55 -6.992 -5.085 -2.832 1.00 0.00 C ATOM 870 C HIS A 55 -6.313 -3.899 -2.157 1.00 0.00 C ATOM 871 O HIS A 55 -6.664 -3.521 -1.039 1.00 0.00 O ATOM 872 CB HIS A 55 -8.461 -5.158 -2.410 1.00 0.00 C ATOM 873 CG HIS A 55 -9.244 -3.931 -2.763 1.00 0.00 C ATOM 874 ND1 HIS A 55 -9.389 -3.478 -4.058 1.00 0.00 N ATOM 875 CD2 HIS A 55 -9.927 -3.060 -1.983 1.00 0.00 C ATOM 876 CE1 HIS A 55 -10.127 -2.382 -4.058 1.00 0.00 C ATOM 877 NE2 HIS A 55 -10.467 -2.108 -2.813 1.00 0.00 N ATOM 0 H HIS A 55 -6.051 -6.417 -1.512 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.941 -4.946 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.924 -6.024 -2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.514 -5.316 -1.333 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.028 -3.105 -0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.405 -1.808 -4.929 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.038 -1.317 -2.515 1.00 0.00 H new ATOM 886 N CYS A 56 -5.334 -3.316 -2.843 1.00 0.00 N ATOM 887 CA CYS A 56 -4.601 -2.175 -2.307 1.00 0.00 C ATOM 888 C CYS A 56 -5.364 -0.875 -2.532 1.00 0.00 C ATOM 889 O CYS A 56 -5.714 -0.539 -3.665 1.00 0.00 O ATOM 890 CB CYS A 56 -3.218 -2.082 -2.952 1.00 0.00 C ATOM 891 SG CYS A 56 -3.255 -1.772 -4.732 1.00 0.00 S ATOM 0 H CYS A 56 -5.031 -3.615 -3.770 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.488 -2.325 -1.233 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.655 -1.285 -2.467 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.679 -3.011 -2.767 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.405 -1.262 -5.060 1.00 0.00 H new ATOM 897 N ILE A 57 -5.613 -0.143 -1.452 1.00 0.00 N ATOM 898 CA ILE A 57 -6.327 1.127 -1.539 1.00 0.00 C ATOM 899 C ILE A 57 -5.348 2.267 -1.788 1.00 0.00 C ATOM 900 O ILE A 57 -4.179 2.175 -1.422 1.00 0.00 O ATOM 901 CB ILE A 57 -7.117 1.429 -0.251 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.919 0.208 0.192 1.00 0.00 C ATOM 903 CG2 ILE A 57 -8.050 2.609 -0.465 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.854 -0.322 -0.873 1.00 0.00 C ATOM 0 H ILE A 57 -5.332 -0.406 -0.507 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.029 1.043 -2.369 1.00 0.00 H new ATOM 0 HB ILE A 57 -6.402 1.679 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.229 -0.583 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.500 0.467 1.077 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.600 2.809 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.467 3.489 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.753 2.377 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.390 -1.189 -0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.568 0.454 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.278 -0.613 -1.751 1.00 0.00 H new ATOM 916 N VAL A 58 -5.829 3.339 -2.404 1.00 0.00 N ATOM 917 CA VAL A 58 -4.983 4.494 -2.689 1.00 0.00 C ATOM 918 C VAL A 58 -5.681 5.792 -2.292 1.00 0.00 C ATOM 919 O VAL A 58 -6.190 6.523 -3.142 1.00 0.00 O ATOM 920 CB VAL A 58 -4.591 4.554 -4.180 1.00 0.00 C ATOM 921 CG1 VAL A 58 -3.693 5.754 -4.455 1.00 0.00 C ATOM 922 CG2 VAL A 58 -3.907 3.264 -4.600 1.00 0.00 C ATOM 0 H VAL A 58 -6.796 3.434 -2.715 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.075 4.380 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.500 4.670 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.429 5.776 -5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.221 6.671 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.786 5.674 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.637 3.322 -5.654 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.007 3.118 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.586 2.425 -4.445 1.00 0.00 H new ATOM 932 N GLY A 59 -5.699 6.070 -0.991 1.00 0.00 N ATOM 933 CA GLY A 59 -6.335 7.276 -0.494 1.00 0.00 C ATOM 934 C GLY A 59 -6.078 7.489 0.986 1.00 0.00 C ATOM 935 O GLY A 59 -5.202 8.267 1.364 1.00 0.00 O ATOM 0 H GLY A 59 -5.283 5.479 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.966 8.136 -1.053 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.409 7.218 -0.670 1.00 0.00 H new ATOM 939 N ARG A 60 -6.837 6.790 1.823 1.00 0.00 N ATOM 940 CA ARG A 60 -6.680 6.901 3.267 1.00 0.00 C ATOM 941 C ARG A 60 -7.396 5.765 3.986 1.00 0.00 C ATOM 942 O ARG A 60 -6.826 5.110 4.859 1.00 0.00 O ATOM 943 CB ARG A 60 -7.184 8.251 3.765 1.00 0.00 C ATOM 944 CG ARG A 60 -8.664 8.474 3.541 1.00 0.00 C ATOM 945 CD ARG A 60 -9.086 9.826 4.071 1.00 0.00 C ATOM 946 NE ARG A 60 -8.509 10.923 3.297 1.00 0.00 N ATOM 947 CZ ARG A 60 -8.731 12.210 3.555 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.518 12.564 4.563 1.00 0.00 N ATOM 949 NH2 ARG A 60 -8.166 13.144 2.802 1.00 0.00 N ATOM 0 H ARG A 60 -7.566 6.141 1.526 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.616 6.827 3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -6.971 8.337 4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.627 9.043 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.890 8.408 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.235 7.689 4.037 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.173 9.900 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.781 9.918 5.113 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.900 10.689 2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.956 11.849 5.144 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.685 13.551 4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.561 12.876 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.336 14.130 2.999 1.00 0.00 H new ATOM 963 N ASN A 61 -8.649 5.537 3.616 1.00 0.00 N ATOM 964 CA ASN A 61 -9.448 4.476 4.226 1.00 0.00 C ATOM 965 C ASN A 61 -10.791 4.312 3.520 1.00 0.00 C ATOM 966 O ASN A 61 -11.748 3.810 4.109 1.00 0.00 O ATOM 967 CB ASN A 61 -9.707 4.806 5.702 1.00 0.00 C ATOM 968 CG ASN A 61 -10.751 5.909 5.913 1.00 0.00 C ATOM 969 OD1 ASN A 61 -11.199 6.563 4.833 1.00 0.00 O flip ATOM 970 ND2 ASN A 61 -11.142 6.181 7.048 1.00 0.00 N flip ATOM 0 H ASN A 61 -9.137 6.071 2.897 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.888 3.546 4.135 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.037 3.903 6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.770 5.112 6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.781 5.664 7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.827 6.924 7.187 1.00 0.00 H new ATOM 977 N PHE A 62 -10.880 4.778 2.280 1.00 0.00 N ATOM 978 CA PHE A 62 -12.134 4.715 1.556 1.00 0.00 C ATOM 979 C PHE A 62 -12.478 3.280 1.158 1.00 0.00 C ATOM 980 O PHE A 62 -13.621 2.980 0.814 1.00 0.00 O ATOM 981 CB PHE A 62 -12.083 5.612 0.318 1.00 0.00 C ATOM 982 CG PHE A 62 -11.098 5.160 -0.724 1.00 0.00 C ATOM 983 CD1 PHE A 62 -11.330 4.015 -1.469 1.00 0.00 C ATOM 984 CD2 PHE A 62 -9.936 5.881 -0.955 1.00 0.00 C ATOM 985 CE1 PHE A 62 -10.424 3.596 -2.423 1.00 0.00 C ATOM 986 CE2 PHE A 62 -9.028 5.467 -1.908 1.00 0.00 C ATOM 987 CZ PHE A 62 -9.271 4.324 -2.644 1.00 0.00 C ATOM 0 H PHE A 62 -10.107 5.198 1.764 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.919 5.075 2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.076 5.653 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.830 6.626 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.231 3.443 -1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.740 6.776 -0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.616 2.701 -2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.127 6.037 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.561 4.000 -3.391 1.00 0.00 H new ATOM 997 N GLY A 63 -11.481 2.402 1.199 1.00 0.00 N ATOM 998 CA GLY A 63 -11.697 1.016 0.832 1.00 0.00 C ATOM 999 C GLY A 63 -12.792 0.357 1.645 1.00 0.00 C ATOM 1000 O GLY A 63 -13.721 -0.226 1.087 1.00 0.00 O ATOM 0 H GLY A 63 -10.527 2.627 1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.953 0.961 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.768 0.461 0.964 1.00 0.00 H new ATOM 1004 N SER A 64 -12.682 0.439 2.969 1.00 0.00 N ATOM 1005 CA SER A 64 -13.674 -0.166 3.855 1.00 0.00 C ATOM 1006 C SER A 64 -13.930 -1.614 3.449 1.00 0.00 C ATOM 1007 O SER A 64 -15.078 -2.040 3.307 1.00 0.00 O ATOM 1008 CB SER A 64 -14.979 0.630 3.817 1.00 0.00 C ATOM 1009 OG SER A 64 -14.772 1.967 4.238 1.00 0.00 O ATOM 0 H SER A 64 -11.920 0.916 3.450 1.00 0.00 H new ATOM 0 HA SER A 64 -13.285 -0.149 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.384 0.622 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.719 0.153 4.460 1.00 0.00 H new ATOM 0 HG SER A 64 -15.621 2.456 4.203 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.849 -2.359 3.249 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.940 -3.753 2.842 1.00 0.00 C ATOM 1017 C TYR A 65 -11.671 -4.504 3.235 1.00 0.00 C ATOM 1018 O TYR A 65 -10.902 -4.943 2.384 1.00 0.00 O ATOM 1019 CB TYR A 65 -13.186 -3.829 1.330 1.00 0.00 C ATOM 1020 CG TYR A 65 -13.245 -5.230 0.765 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -14.439 -5.940 0.739 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -12.106 -5.846 0.256 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -14.498 -7.219 0.224 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -12.157 -7.124 -0.261 1.00 0.00 C ATOM 1025 CZ TYR A 65 -13.355 -7.808 -0.277 1.00 0.00 C ATOM 1026 OH TYR A 65 -13.410 -9.082 -0.791 1.00 0.00 O ATOM 0 H TYR A 65 -11.895 -2.017 3.363 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.777 -4.228 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.124 -3.321 1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.395 -3.280 0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.337 -5.483 1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.166 -5.315 0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.435 -7.757 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -11.263 -7.587 -0.652 1.00 0.00 H new ATOM 0 HH TYR A 65 -12.698 -9.626 -0.394 1.00 0.00 H new ATOM 1036 N VAL A 66 -11.454 -4.636 4.539 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.274 -5.325 5.052 1.00 0.00 C ATOM 1038 C VAL A 66 -10.662 -6.379 6.083 1.00 0.00 C ATOM 1039 O VAL A 66 -10.311 -7.553 5.956 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.288 -4.340 5.705 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -7.993 -5.044 6.077 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -9.025 -3.155 4.785 1.00 0.00 C ATOM 0 H VAL A 66 -12.079 -4.276 5.260 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.793 -5.804 4.199 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.737 -3.960 6.622 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.310 -4.330 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.205 -5.848 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.534 -5.459 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.326 -2.470 5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.599 -3.510 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.962 -2.635 4.584 1.00 0.00 H new ATOM 1052 N THR A 67 -11.384 -5.941 7.105 1.00 0.00 N ATOM 1053 CA THR A 67 -11.827 -6.827 8.176 1.00 0.00 C ATOM 1054 C THR A 67 -12.602 -8.016 7.627 1.00 0.00 C ATOM 1055 O THR A 67 -12.654 -9.073 8.256 1.00 0.00 O ATOM 1056 CB THR A 67 -12.702 -6.056 9.160 1.00 0.00 C ATOM 1057 OG1 THR A 67 -12.004 -4.940 9.687 1.00 0.00 O ATOM 1058 CG2 THR A 67 -13.180 -6.893 10.326 1.00 0.00 C ATOM 0 H THR A 67 -11.678 -4.971 7.216 1.00 0.00 H new ATOM 0 HA THR A 67 -10.941 -7.204 8.688 1.00 0.00 H new ATOM 0 HB THR A 67 -13.572 -5.741 8.583 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.583 -4.458 10.314 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.796 -6.281 10.985 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.768 -7.732 9.955 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.320 -7.270 10.880 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.199 -7.839 6.452 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.973 -8.902 5.808 1.00 0.00 C ATOM 1068 C HIS A 68 -13.290 -10.258 5.974 1.00 0.00 C ATOM 1069 O HIS A 68 -13.950 -11.294 6.040 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.172 -8.596 4.321 1.00 0.00 C ATOM 1071 CG HIS A 68 -15.103 -7.452 4.056 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -14.836 -6.151 4.433 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -16.316 -7.421 3.452 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -15.841 -5.374 4.073 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -16.751 -6.119 3.475 1.00 0.00 N ATOM 0 H HIS A 68 -13.163 -6.968 5.923 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.947 -8.946 6.295 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -13.203 -8.375 3.873 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -14.557 -9.487 3.825 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -16.843 -8.264 3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.907 -4.309 4.240 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -17.634 -5.782 3.092 1.00 0.00 H new ATOM 1084 N GLU A 69 -11.962 -10.238 6.051 1.00 0.00 N ATOM 1085 CA GLU A 69 -11.186 -11.457 6.224 1.00 0.00 C ATOM 1086 C GLU A 69 -10.102 -11.262 7.278 1.00 0.00 C ATOM 1087 O GLU A 69 -9.936 -12.093 8.171 1.00 0.00 O ATOM 1088 CB GLU A 69 -10.558 -11.885 4.899 1.00 0.00 C ATOM 1089 CG GLU A 69 -11.575 -12.168 3.805 1.00 0.00 C ATOM 1090 CD GLU A 69 -12.554 -13.260 4.188 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -12.104 -14.393 4.458 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -13.772 -12.983 4.218 1.00 0.00 O ATOM 0 H GLU A 69 -11.402 -9.387 5.996 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.861 -12.243 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.880 -11.103 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.956 -12.779 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.125 -11.254 3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.052 -12.457 2.894 1.00 0.00 H new ATOM 1099 N THR A 70 -9.359 -10.163 7.158 1.00 0.00 N ATOM 1100 CA THR A 70 -8.275 -9.845 8.088 1.00 0.00 C ATOM 1101 C THR A 70 -7.099 -10.790 7.887 1.00 0.00 C ATOM 1102 O THR A 70 -6.137 -10.775 8.656 1.00 0.00 O ATOM 1103 CB THR A 70 -8.755 -9.960 9.526 1.00 0.00 C ATOM 1104 OG1 THR A 70 -9.920 -9.179 9.736 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.720 -9.529 10.543 1.00 0.00 C ATOM 0 H THR A 70 -9.489 -9.472 6.419 1.00 0.00 H new ATOM 0 HA THR A 70 -7.957 -8.822 7.888 1.00 0.00 H new ATOM 0 HB THR A 70 -8.962 -11.020 9.672 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.674 -9.580 9.255 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.130 -9.637 11.547 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.831 -10.153 10.445 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.453 -8.487 10.371 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.197 -11.625 6.861 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.167 -12.605 6.555 1.00 0.00 C ATOM 1115 C LYS A 71 -4.763 -12.013 6.692 1.00 0.00 C ATOM 1116 O LYS A 71 -3.815 -12.722 7.027 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.370 -13.159 5.144 1.00 0.00 C ATOM 1118 CG LYS A 71 -5.514 -14.377 4.837 1.00 0.00 C ATOM 1119 CD LYS A 71 -5.842 -15.535 5.764 1.00 0.00 C ATOM 1120 CE LYS A 71 -4.989 -16.756 5.457 1.00 0.00 C ATOM 1121 NZ LYS A 71 -5.302 -17.895 6.362 1.00 0.00 N ATOM 0 H LYS A 71 -7.990 -11.641 6.220 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.256 -13.416 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.420 -13.422 5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.145 -12.376 4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.671 -14.682 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.460 -14.117 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.683 -15.230 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.896 -15.793 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.150 -17.060 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.935 -16.496 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.699 -18.707 6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.125 -17.614 7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.301 -18.161 6.252 1.00 0.00 H new ATOM 1135 N HIS A 72 -4.649 -10.705 6.449 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.382 -9.986 6.550 1.00 0.00 C ATOM 1137 C HIS A 72 -3.399 -8.731 5.692 1.00 0.00 C ATOM 1138 O HIS A 72 -3.539 -8.794 4.470 1.00 0.00 O ATOM 1139 CB HIS A 72 -2.172 -10.855 6.183 1.00 0.00 C ATOM 1140 CG HIS A 72 -2.322 -11.675 4.941 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.452 -11.129 3.682 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -2.315 -13.017 4.768 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -2.512 -12.101 2.789 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -2.434 -13.256 3.422 1.00 0.00 N ATOM 0 H HIS A 72 -5.436 -10.116 6.176 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.274 -9.706 7.598 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -1.303 -10.207 6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.961 -11.525 7.017 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.231 -13.762 5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.609 -11.972 1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.458 -14.176 2.983 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.263 -7.593 6.354 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.263 -6.295 5.688 1.00 0.00 C ATOM 1155 C PHE A 73 -1.937 -5.570 5.918 1.00 0.00 C ATOM 1156 O PHE A 73 -1.003 -6.131 6.489 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.387 -5.427 6.247 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.101 -4.984 7.650 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -4.248 -5.856 8.713 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -3.634 -3.703 7.896 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.940 -5.458 9.999 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -3.329 -3.298 9.177 1.00 0.00 C ATOM 1163 CZ PHE A 73 -3.482 -4.177 10.232 1.00 0.00 C ATOM 0 H PHE A 73 -3.150 -7.540 7.366 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.407 -6.463 4.621 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.523 -4.553 5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.323 -5.985 6.225 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.607 -6.859 8.536 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -3.508 -3.014 7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.057 -6.148 10.821 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.971 -2.295 9.356 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.244 -3.862 11.237 1.00 0.00 H new ATOM 1173 N ILE A 74 -1.880 -4.308 5.499 1.00 0.00 N ATOM 1174 CA ILE A 74 -0.690 -3.487 5.682 1.00 0.00 C ATOM 1175 C ILE A 74 -0.967 -2.042 5.279 1.00 0.00 C ATOM 1176 O ILE A 74 -1.121 -1.732 4.097 1.00 0.00 O ATOM 1177 CB ILE A 74 0.508 -4.031 4.879 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.710 -3.100 5.012 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.128 -4.231 3.421 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.918 -3.545 4.212 1.00 0.00 C ATOM 0 H ILE A 74 -2.649 -3.832 5.028 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.433 -3.523 6.741 1.00 0.00 H new ATOM 0 HB ILE A 74 0.788 -5.001 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.421 -2.100 4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.988 -3.028 6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.987 -4.615 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.694 -4.943 3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.181 -3.278 2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.732 -2.834 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.234 -4.532 4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.658 -3.589 3.154 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.039 -1.162 6.273 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.309 0.250 6.028 1.00 0.00 C ATOM 1194 C TYR A 75 -0.021 1.063 5.955 1.00 0.00 C ATOM 1195 O TYR A 75 0.930 0.816 6.697 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.214 0.815 7.127 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.598 0.195 7.177 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -4.006 -0.745 6.236 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -4.500 0.560 8.171 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -5.270 -1.302 6.285 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -5.764 0.005 8.226 1.00 0.00 C ATOM 1202 CZ TYR A 75 -6.144 -0.924 7.283 1.00 0.00 C ATOM 1203 OH TYR A 75 -7.403 -1.478 7.335 1.00 0.00 O ATOM 0 H TYR A 75 -0.914 -1.402 7.256 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.814 0.326 5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.728 0.669 8.092 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.316 1.890 6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.324 -1.044 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.207 1.289 8.912 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.572 -2.029 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.451 0.299 9.006 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.893 -1.106 8.098 1.00 0.00 H new ATOM 1213 N PHE A 76 -0.006 2.041 5.055 1.00 0.00 N ATOM 1214 CA PHE A 76 1.151 2.909 4.874 1.00 0.00 C ATOM 1215 C PHE A 76 0.767 4.092 3.992 1.00 0.00 C ATOM 1216 O PHE A 76 0.067 3.920 2.998 1.00 0.00 O ATOM 1217 CB PHE A 76 2.313 2.126 4.253 1.00 0.00 C ATOM 1218 CG PHE A 76 2.107 1.751 2.811 1.00 0.00 C ATOM 1219 CD1 PHE A 76 2.198 2.707 1.811 1.00 0.00 C ATOM 1220 CD2 PHE A 76 1.820 0.442 2.457 1.00 0.00 C ATOM 1221 CE1 PHE A 76 2.009 2.364 0.486 1.00 0.00 C ATOM 1222 CE2 PHE A 76 1.629 0.094 1.133 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.723 1.056 0.146 1.00 0.00 C ATOM 0 H PHE A 76 -0.788 2.253 4.436 1.00 0.00 H new ATOM 0 HA PHE A 76 1.476 3.282 5.845 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.222 2.722 4.335 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.474 1.217 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.419 3.732 2.071 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.745 -0.314 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.085 3.118 -0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.406 -0.930 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.573 0.786 -0.889 1.00 0.00 H new ATOM 1233 N TYR A 77 1.210 5.293 4.357 1.00 0.00 N ATOM 1234 CA TYR A 77 0.873 6.477 3.573 1.00 0.00 C ATOM 1235 C TYR A 77 2.110 7.256 3.146 1.00 0.00 C ATOM 1236 O TYR A 77 3.137 7.249 3.827 1.00 0.00 O ATOM 1237 CB TYR A 77 -0.079 7.392 4.352 1.00 0.00 C ATOM 1238 CG TYR A 77 0.516 7.999 5.603 1.00 0.00 C ATOM 1239 CD1 TYR A 77 0.905 7.203 6.672 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.681 9.373 5.712 1.00 0.00 C ATOM 1241 CE1 TYR A 77 1.443 7.762 7.816 1.00 0.00 C ATOM 1242 CE2 TYR A 77 1.220 9.938 6.851 1.00 0.00 C ATOM 1243 CZ TYR A 77 1.599 9.129 7.901 1.00 0.00 C ATOM 1244 OH TYR A 77 2.136 9.689 9.037 1.00 0.00 O ATOM 0 H TYR A 77 1.792 5.470 5.175 1.00 0.00 H new ATOM 0 HA TYR A 77 0.374 6.126 2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.408 8.197 3.694 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.966 6.822 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.786 6.131 6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.383 10.010 4.893 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.740 7.130 8.640 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.344 11.009 6.919 1.00 0.00 H new ATOM 0 HH TYR A 77 2.178 10.663 8.933 1.00 0.00 H new ATOM 1254 N LEU A 78 1.987 7.935 2.009 1.00 0.00 N ATOM 1255 CA LEU A 78 3.070 8.740 1.461 1.00 0.00 C ATOM 1256 C LEU A 78 2.674 10.213 1.455 1.00 0.00 C ATOM 1257 O LEU A 78 1.854 10.639 0.643 1.00 0.00 O ATOM 1258 CB LEU A 78 3.399 8.290 0.036 1.00 0.00 C ATOM 1259 CG LEU A 78 3.714 6.802 -0.123 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.995 6.471 -1.581 1.00 0.00 C ATOM 1261 CD2 LEU A 78 4.895 6.410 0.753 1.00 0.00 C ATOM 0 H LEU A 78 1.137 7.942 1.445 1.00 0.00 H new ATOM 0 HA LEU A 78 3.952 8.607 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.556 8.537 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.253 8.866 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 78 2.844 6.228 0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.217 5.408 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.121 6.714 -2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.849 7.053 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.105 5.348 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.771 6.990 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.656 6.611 1.797 1.00 0.00 H new ATOM 1273 N GLY A 79 3.250 10.984 2.369 1.00 0.00 N ATOM 1274 CA GLY A 79 2.930 12.397 2.448 1.00 0.00 C ATOM 1275 C GLY A 79 1.524 12.641 2.961 1.00 0.00 C ATOM 1276 O GLY A 79 1.335 13.001 4.123 1.00 0.00 O ATOM 0 H GLY A 79 3.931 10.658 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.645 12.893 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.038 12.847 1.461 1.00 0.00 H new ATOM 1280 N GLN A 80 0.533 12.448 2.094 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.862 12.652 2.473 1.00 0.00 C ATOM 1282 C GLN A 80 -1.778 11.610 1.829 1.00 0.00 C ATOM 1283 O GLN A 80 -2.994 11.791 1.783 1.00 0.00 O ATOM 1284 CB GLN A 80 -1.329 14.059 2.083 1.00 0.00 C ATOM 1285 CG GLN A 80 -1.292 14.332 0.584 1.00 0.00 C ATOM 1286 CD GLN A 80 0.114 14.463 0.007 1.00 0.00 C ATOM 1287 OE1 GLN A 80 0.293 14.406 -1.209 1.00 0.00 O ATOM 1288 NE2 GLN A 80 1.115 14.674 0.860 1.00 0.00 N ATOM 0 H GLN A 80 0.670 12.152 1.128 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.922 12.540 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.347 14.205 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.703 14.792 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.811 13.526 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.844 15.250 0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.931 14.715 1.862 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.066 14.794 0.511 1.00 0.00 H new ATOM 1297 N VAL A 81 -1.191 10.522 1.333 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.969 9.462 0.699 1.00 0.00 C ATOM 1299 C VAL A 81 -1.707 8.117 1.372 1.00 0.00 C ATOM 1300 O VAL A 81 -0.607 7.574 1.284 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.641 9.348 -0.803 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.515 8.294 -1.468 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.803 10.697 -1.486 1.00 0.00 C ATOM 0 H VAL A 81 -0.185 10.353 1.358 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.021 9.724 0.813 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.602 9.036 -0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.266 8.231 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.341 7.327 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.564 8.569 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.568 10.599 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.831 11.041 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.126 11.420 -1.029 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.720 7.589 2.052 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.587 6.314 2.748 1.00 0.00 C ATOM 1315 C ALA A 82 -3.073 5.144 1.901 1.00 0.00 C ATOM 1316 O ALA A 82 -4.252 5.048 1.562 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.331 6.352 4.075 1.00 0.00 C ATOM 0 H ALA A 82 -3.639 8.023 2.136 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.525 6.159 2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.221 5.393 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.917 7.142 4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.388 6.548 3.894 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.145 4.248 1.582 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.451 3.065 0.798 1.00 0.00 C ATOM 1325 C ILE A 83 -2.721 1.883 1.725 1.00 0.00 C ATOM 1326 O ILE A 83 -2.003 1.678 2.705 1.00 0.00 O ATOM 1327 CB ILE A 83 -1.294 2.709 -0.163 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.987 3.888 -1.090 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.625 1.463 -0.974 1.00 0.00 C ATOM 1330 CD1 ILE A 83 -0.382 5.080 -0.382 1.00 0.00 C ATOM 0 H ILE A 83 -1.166 4.324 1.859 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.338 3.280 0.202 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.407 2.498 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.303 3.556 -1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.908 4.199 -1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.795 1.233 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.791 0.623 -0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.526 1.640 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.193 5.874 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.073 5.440 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.556 4.786 0.089 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.759 1.112 1.419 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.116 -0.041 2.242 1.00 0.00 C ATOM 1344 C LEU A 84 -4.049 -1.337 1.446 1.00 0.00 C ATOM 1345 O LEU A 84 -4.973 -1.666 0.704 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.520 0.132 2.825 1.00 0.00 C ATOM 1347 CG LEU A 84 -5.663 1.244 3.864 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -5.291 2.592 3.263 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -7.079 1.276 4.416 1.00 0.00 C ATOM 0 H LEU A 84 -4.365 1.262 0.613 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.391 -0.100 3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.213 0.330 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.825 -0.810 3.281 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.977 1.037 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.400 3.370 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.258 2.564 2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.949 2.809 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.164 2.073 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.782 1.458 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.308 0.320 4.887 1.00 0.00 H new ATOM 1361 N LEU A 85 -2.964 -2.084 1.626 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.797 -3.356 0.940 1.00 0.00 C ATOM 1363 C LEU A 85 -3.201 -4.492 1.866 1.00 0.00 C ATOM 1364 O LEU A 85 -2.895 -4.470 3.059 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.350 -3.532 0.468 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.041 -4.881 -0.186 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.892 -5.080 -1.429 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.439 -4.978 -0.527 1.00 0.00 C ATOM 0 H LEU A 85 -2.190 -1.829 2.240 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.440 -3.370 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.117 -2.739 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.687 -3.399 1.323 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.284 -5.673 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.658 -6.044 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.947 -5.054 -1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.683 -4.285 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.643 -5.943 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.706 -4.179 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.029 -4.882 0.384 1.00 0.00 H new ATOM 1380 N PHE A 86 -3.917 -5.469 1.330 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.386 -6.586 2.137 1.00 0.00 C ATOM 1382 C PHE A 86 -5.059 -7.647 1.279 1.00 0.00 C ATOM 1383 O PHE A 86 -5.602 -7.342 0.217 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.375 -6.064 3.178 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.506 -5.289 2.565 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -7.458 -5.926 1.785 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -6.606 -3.918 2.753 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -8.490 -5.212 1.206 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -7.637 -3.200 2.177 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.580 -3.848 1.403 1.00 0.00 C ATOM 0 H PHE A 86 -4.185 -5.512 0.347 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.527 -7.047 2.626 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.780 -6.904 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.847 -5.428 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.393 -6.993 1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.870 -3.406 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -9.225 -5.720 0.600 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.705 -2.133 2.332 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.387 -3.289 0.952 1.00 0.00 H new ATOM 1400 N LYS A 87 -5.039 -8.889 1.748 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.672 -9.977 1.012 1.00 0.00 C ATOM 1402 C LYS A 87 -6.981 -10.366 1.686 1.00 0.00 C ATOM 1403 O LYS A 87 -7.034 -11.313 2.469 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.734 -11.183 0.923 1.00 0.00 C ATOM 1405 CG LYS A 87 -5.122 -12.199 -0.148 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.390 -12.960 0.209 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.202 -13.810 1.457 1.00 0.00 C ATOM 1408 NZ LYS A 87 -5.153 -14.851 1.268 1.00 0.00 N ATOM 0 H LYS A 87 -4.597 -9.166 2.624 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.886 -9.638 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.723 -10.829 0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.711 -11.683 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.265 -11.685 -1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.304 -12.906 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.205 -12.255 0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.679 -13.598 -0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.930 -13.169 2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.146 -14.289 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.349 -15.659 1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.156 -15.171 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.221 -14.451 1.500 1.00 0.00 H new ATOM 1422 N SER A 88 -8.036 -9.620 1.379 1.00 0.00 N ATOM 1423 CA SER A 88 -9.350 -9.879 1.957 1.00 0.00 C ATOM 1424 C SER A 88 -10.082 -10.966 1.178 1.00 0.00 C ATOM 1425 O SER A 88 -11.134 -10.720 0.587 1.00 0.00 O ATOM 1426 CB SER A 88 -10.181 -8.594 1.974 1.00 0.00 C ATOM 1427 OG SER A 88 -9.555 -7.590 2.753 1.00 0.00 O ATOM 0 H SER A 88 -8.007 -8.831 0.733 1.00 0.00 H new ATOM 0 HA SER A 88 -9.210 -10.227 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.319 -8.234 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.172 -8.804 2.375 1.00 0.00 H new ATOM 0 HG SER A 88 -9.096 -6.957 2.163 1.00 0.00 H new ATOM 1433 N GLY A 89 -9.519 -12.169 1.180 1.00 0.00 N ATOM 1434 CA GLY A 89 -10.135 -13.276 0.470 1.00 0.00 C ATOM 1435 C GLY A 89 -9.500 -14.610 0.810 1.00 0.00 C ATOM 1436 O GLY A 89 -9.281 -14.875 2.012 1.00 0.00 O ATOM 1437 OXT GLY A 89 -9.222 -15.391 -0.124 1.00 0.00 O ATOM 0 H GLY A 89 -8.648 -12.398 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.198 -13.311 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.057 -13.103 -0.603 1.00 0.00 H new TER 1441 GLY A 89