USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN : amide:sc= -1.69! X(o=-3.4!,f=-3.4) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.72! C(o=-3.4!,f=-3.7!) USER MOD Single : A 1 PHE N :NH3+ 155:sc= 0.831 (180deg=0.33) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.0389 USER MOD Single : A 17 SER OG : rot -168:sc= -0.718 USER MOD Single : A 18 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 22 MET CE :methyl -163:sc= -1.02 (180deg=-2.41) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.38) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 75:sc= -0.401 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0849 (180deg=-0.525) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : B 1 PHE N :NH3+ 161:sc= 0.833 (180deg=0.359) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 30:sc= -0.015 USER MOD Single : B 17 SER OG : rot -169:sc= -0.486 USER MOD Single : B 18 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : B 22 MET CE :methyl -161:sc= -1.14 (180deg=-2.58) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.22) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 77:sc= -0.66 USER MOD Single : B 42 LYS NZ :NH3+ -164:sc= -0.0244 (180deg=-0.252) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : B 53 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.937 -3.742 24.099 1.00 0.00 N ATOM 2 CA PHE A 1 94.203 -4.277 25.279 1.00 0.00 C ATOM 3 C PHE A 1 93.876 -3.132 26.240 1.00 0.00 C ATOM 4 O PHE A 1 92.728 -2.815 26.481 1.00 0.00 O ATOM 5 CB PHE A 1 95.069 -5.292 26.019 1.00 0.00 C ATOM 6 CG PHE A 1 95.256 -6.545 25.192 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.176 -6.550 24.139 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.545 -7.719 25.503 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.392 -7.722 23.400 1.00 0.00 C ATOM 10 CE2 PHE A 1 94.759 -8.888 24.754 1.00 0.00 C ATOM 11 CZ PHE A 1 95.683 -8.889 23.705 1.00 0.00 C ATOM 0 H1 PHE A 1 95.514 -4.497 23.677 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.255 -3.393 23.395 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.555 -2.961 24.399 1.00 0.00 H new ATOM 0 HA PHE A 1 93.287 -4.755 24.932 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.040 -4.852 26.245 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.605 -5.546 26.972 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.721 -5.650 23.895 1.00 0.00 H new ATOM 0 HD2 PHE A 1 93.835 -7.721 26.317 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.109 -7.724 22.592 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.209 -9.787 24.989 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.849 -9.789 23.131 1.00 0.00 H new ATOM 23 N LEU A 2 94.880 -2.524 26.810 1.00 0.00 N ATOM 24 CA LEU A 2 94.637 -1.417 27.777 1.00 0.00 C ATOM 25 C LEU A 2 94.124 -0.159 27.057 1.00 0.00 C ATOM 26 O LEU A 2 93.248 0.528 27.545 1.00 0.00 O ATOM 27 CB LEU A 2 95.952 -1.084 28.483 1.00 0.00 C ATOM 28 CG LEU A 2 96.586 -2.357 29.065 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.905 -1.989 29.757 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.632 -3.002 30.081 1.00 0.00 C ATOM 0 H LEU A 2 95.862 -2.747 26.647 1.00 0.00 H new ATOM 0 HA LEU A 2 93.882 -1.738 28.495 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.641 -0.616 27.780 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.771 -0.363 29.280 1.00 0.00 H new ATOM 0 HG LEU A 2 96.777 -3.068 28.261 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.361 -2.888 30.173 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.584 -1.540 29.032 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.709 -1.277 30.559 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.090 -3.904 30.488 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.433 -2.299 30.890 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.696 -3.262 29.587 1.00 0.00 H new ATOM 42 N ASP A 3 94.672 0.170 25.920 1.00 0.00 N ATOM 43 CA ASP A 3 94.221 1.405 25.208 1.00 0.00 C ATOM 44 C ASP A 3 92.744 1.313 24.807 1.00 0.00 C ATOM 45 O ASP A 3 91.977 2.228 25.037 1.00 0.00 O ATOM 46 CB ASP A 3 95.074 1.604 23.959 1.00 0.00 C ATOM 47 CG ASP A 3 94.742 2.950 23.315 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.625 3.410 23.484 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.617 3.502 22.669 1.00 0.00 O ATOM 0 H ASP A 3 95.409 -0.358 25.453 1.00 0.00 H new ATOM 0 HA ASP A 3 94.336 2.252 25.885 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.132 1.566 24.220 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.891 0.796 23.250 1.00 0.00 H new ATOM 54 N GLY A 4 92.332 0.229 24.212 1.00 0.00 N ATOM 55 CA GLY A 4 90.902 0.119 23.809 1.00 0.00 C ATOM 56 C GLY A 4 90.037 0.050 25.069 1.00 0.00 C ATOM 57 O GLY A 4 89.066 0.764 25.217 1.00 0.00 O ATOM 0 H GLY A 4 92.915 -0.577 23.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.615 0.977 23.201 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.750 -0.771 23.198 1.00 0.00 H new ATOM 61 N ILE A 5 90.396 -0.805 25.981 1.00 0.00 N ATOM 62 CA ILE A 5 89.617 -0.934 27.242 1.00 0.00 C ATOM 63 C ILE A 5 89.522 0.423 27.951 1.00 0.00 C ATOM 64 O ILE A 5 88.494 0.761 28.499 1.00 0.00 O ATOM 65 CB ILE A 5 90.299 -1.972 28.145 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.096 -3.360 27.530 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.693 -1.941 29.552 1.00 0.00 C ATOM 68 CD1 ILE A 5 90.920 -4.421 28.277 1.00 0.00 C ATOM 0 H ILE A 5 91.202 -1.426 25.907 1.00 0.00 H new ATOM 0 HA ILE A 5 88.603 -1.265 27.015 1.00 0.00 H new ATOM 0 HB ILE A 5 91.362 -1.742 28.223 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.039 -3.625 27.564 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.387 -3.342 26.480 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.189 -2.683 30.178 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.830 -0.950 29.986 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.628 -2.167 29.495 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.757 -5.397 27.819 1.00 0.00 H new ATOM 0 HD12 ILE A 5 91.978 -4.166 28.221 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.610 -4.454 29.321 1.00 0.00 H new ATOM 80 N ASP A 6 90.565 1.207 27.954 1.00 0.00 N ATOM 81 CA ASP A 6 90.483 2.528 28.645 1.00 0.00 C ATOM 82 C ASP A 6 89.304 3.326 28.094 1.00 0.00 C ATOM 83 O ASP A 6 88.524 3.894 28.836 1.00 0.00 O ATOM 84 CB ASP A 6 91.767 3.318 28.392 1.00 0.00 C ATOM 85 CG ASP A 6 92.923 2.650 29.129 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.661 1.726 29.884 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.051 3.070 28.932 1.00 0.00 O ATOM 0 H ASP A 6 91.461 0.995 27.514 1.00 0.00 H new ATOM 0 HA ASP A 6 90.351 2.361 29.714 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.977 3.360 27.323 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.648 4.346 28.734 1.00 0.00 H new ATOM 92 N LYS A 7 89.161 3.364 26.801 1.00 0.00 N ATOM 93 CA LYS A 7 88.022 4.109 26.205 1.00 0.00 C ATOM 94 C LYS A 7 86.727 3.357 26.492 1.00 0.00 C ATOM 95 O LYS A 7 85.723 3.937 26.861 1.00 0.00 O ATOM 96 CB LYS A 7 88.223 4.211 24.694 1.00 0.00 C ATOM 97 CG LYS A 7 89.520 4.981 24.384 1.00 0.00 C ATOM 98 CD LYS A 7 89.689 5.137 22.859 1.00 0.00 C ATOM 99 CE LYS A 7 88.867 6.331 22.354 1.00 0.00 C ATOM 100 NZ LYS A 7 89.168 6.570 20.916 1.00 0.00 N ATOM 0 H LYS A 7 89.783 2.911 26.132 1.00 0.00 H new ATOM 0 HA LYS A 7 87.969 5.109 26.636 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.270 3.213 24.257 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.372 4.718 24.239 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.492 5.962 24.857 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.376 4.450 24.801 1.00 0.00 H new ATOM 0 HD2 LYS A 7 90.742 5.282 22.615 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.367 4.226 22.355 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.803 6.135 22.486 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.102 7.221 22.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.611 7.379 20.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.181 6.775 20.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.922 5.723 20.365 1.00 0.00 H new ATOM 114 N ALA A 8 86.748 2.069 26.313 1.00 0.00 N ATOM 115 CA ALA A 8 85.529 1.262 26.562 1.00 0.00 C ATOM 116 C ALA A 8 85.182 1.318 28.046 1.00 0.00 C ATOM 117 O ALA A 8 84.029 1.293 28.425 1.00 0.00 O ATOM 118 CB ALA A 8 85.784 -0.190 26.148 1.00 0.00 C ATOM 0 H ALA A 8 87.562 1.539 26.003 1.00 0.00 H new ATOM 0 HA ALA A 8 84.700 1.662 25.979 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.888 -0.783 26.331 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.034 -0.228 25.088 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.612 -0.594 26.730 1.00 0.00 H new ATOM 124 N GLN A 9 86.177 1.377 28.888 1.00 0.00 N ATOM 125 CA GLN A 9 85.907 1.420 30.346 1.00 0.00 C ATOM 126 C GLN A 9 85.038 2.627 30.651 1.00 0.00 C ATOM 127 O GLN A 9 84.112 2.557 31.435 1.00 0.00 O ATOM 128 CB GLN A 9 87.227 1.544 31.108 1.00 0.00 C ATOM 129 CG GLN A 9 86.971 1.367 32.604 1.00 0.00 C ATOM 130 CD GLN A 9 88.288 1.539 33.367 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.341 1.618 32.768 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.274 1.604 34.671 1.00 0.00 N ATOM 0 H GLN A 9 87.163 1.397 28.626 1.00 0.00 H new ATOM 0 HA GLN A 9 85.397 0.506 30.652 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.933 0.791 30.758 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.679 2.518 30.918 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.240 2.098 32.948 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.551 0.380 32.798 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.390 1.538 35.175 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.147 1.721 35.185 1.00 0.00 H new ATOM 141 N GLU A 10 85.320 3.735 30.030 1.00 0.00 N ATOM 142 CA GLU A 10 84.490 4.936 30.289 1.00 0.00 C ATOM 143 C GLU A 10 83.062 4.634 29.852 1.00 0.00 C ATOM 144 O GLU A 10 82.109 5.001 30.505 1.00 0.00 O ATOM 145 CB GLU A 10 85.032 6.129 29.499 1.00 0.00 C ATOM 146 CG GLU A 10 84.326 7.402 29.964 1.00 0.00 C ATOM 147 CD GLU A 10 84.864 8.599 29.178 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.724 8.392 28.335 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.419 9.705 29.441 1.00 0.00 O ATOM 0 H GLU A 10 86.081 3.859 29.362 1.00 0.00 H new ATOM 0 HA GLU A 10 84.515 5.184 31.350 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.108 6.220 29.648 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.870 5.978 28.432 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.250 7.309 29.815 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.488 7.552 31.031 1.00 0.00 H new ATOM 156 N GLU A 11 82.919 3.946 28.748 1.00 0.00 N ATOM 157 CA GLU A 11 81.559 3.597 28.254 1.00 0.00 C ATOM 158 C GLU A 11 80.859 2.734 29.296 1.00 0.00 C ATOM 159 O GLU A 11 79.684 2.895 29.564 1.00 0.00 O ATOM 160 CB GLU A 11 81.676 2.827 26.928 1.00 0.00 C ATOM 161 CG GLU A 11 80.281 2.491 26.378 1.00 0.00 C ATOM 162 CD GLU A 11 79.705 1.258 27.082 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.437 0.616 27.818 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.540 0.973 26.865 1.00 0.00 O ATOM 0 H GLU A 11 83.689 3.612 28.168 1.00 0.00 H new ATOM 0 HA GLU A 11 80.981 4.505 28.086 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.226 3.424 26.201 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.244 1.909 27.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.614 3.342 26.519 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.342 2.308 25.305 1.00 0.00 H new ATOM 171 N HIS A 12 81.568 1.819 29.893 1.00 0.00 N ATOM 172 CA HIS A 12 80.926 0.957 30.918 1.00 0.00 C ATOM 173 C HIS A 12 80.472 1.801 32.104 1.00 0.00 C ATOM 174 O HIS A 12 79.397 1.623 32.627 1.00 0.00 O ATOM 175 CB HIS A 12 81.910 -0.098 31.423 1.00 0.00 C ATOM 176 CG HIS A 12 81.178 -0.986 32.382 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.779 -2.293 32.061 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.681 -0.736 33.631 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.063 -2.766 33.108 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.993 -1.846 34.063 1.00 0.00 N ATOM 0 H HIS A 12 82.555 1.633 29.717 1.00 0.00 H new ATOM 0 HA HIS A 12 80.068 0.468 30.457 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.307 -0.680 30.591 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.760 0.376 31.914 1.00 0.00 H new ATOM 0 HD1 HIS A 12 80.990 -2.794 31.198 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.808 0.181 34.187 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.615 -3.747 33.159 1.00 0.00 H new ATOM 188 N GLU A 13 81.292 2.704 32.543 1.00 0.00 N ATOM 189 CA GLU A 13 80.917 3.545 33.710 1.00 0.00 C ATOM 190 C GLU A 13 79.678 4.380 33.392 1.00 0.00 C ATOM 191 O GLU A 13 78.795 4.544 34.210 1.00 0.00 O ATOM 192 CB GLU A 13 82.081 4.475 34.042 1.00 0.00 C ATOM 193 CG GLU A 13 81.805 5.182 35.369 1.00 0.00 C ATOM 194 CD GLU A 13 82.909 6.202 35.632 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.848 6.240 34.853 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.796 6.933 36.604 1.00 0.00 O ATOM 0 H GLU A 13 82.210 2.899 32.144 1.00 0.00 H new ATOM 0 HA GLU A 13 80.694 2.899 34.559 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.008 3.906 34.107 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.212 5.209 33.247 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.835 5.678 35.336 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.764 4.455 36.180 1.00 0.00 H new ATOM 203 N LYS A 14 79.630 4.937 32.218 1.00 0.00 N ATOM 204 CA LYS A 14 78.475 5.796 31.838 1.00 0.00 C ATOM 205 C LYS A 14 77.149 5.025 31.845 1.00 0.00 C ATOM 206 O LYS A 14 76.116 5.595 32.124 1.00 0.00 O ATOM 207 CB LYS A 14 78.704 6.365 30.436 1.00 0.00 C ATOM 208 CG LYS A 14 79.869 7.360 30.472 1.00 0.00 C ATOM 209 CD LYS A 14 80.192 7.850 29.056 1.00 0.00 C ATOM 210 CE LYS A 14 79.154 8.884 28.596 1.00 0.00 C ATOM 211 NZ LYS A 14 79.618 9.519 27.329 1.00 0.00 N ATOM 0 H LYS A 14 80.346 4.834 31.499 1.00 0.00 H new ATOM 0 HA LYS A 14 78.406 6.594 32.578 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.922 5.559 29.736 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.800 6.860 30.081 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.613 8.207 31.108 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.748 6.886 30.910 1.00 0.00 H new ATOM 0 HD2 LYS A 14 81.188 8.292 29.036 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.204 7.006 28.366 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.188 8.403 28.442 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.014 9.643 29.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.917 10.220 27.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.531 9.991 27.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.731 8.790 26.596 1.00 0.00 H new ATOM 225 N TYR A 15 77.148 3.760 31.488 1.00 0.00 N ATOM 226 CA TYR A 15 75.842 3.012 31.419 1.00 0.00 C ATOM 227 C TYR A 15 75.930 1.608 32.037 1.00 0.00 C ATOM 228 O TYR A 15 74.946 0.899 32.089 1.00 0.00 O ATOM 229 CB TYR A 15 75.472 2.859 29.942 1.00 0.00 C ATOM 230 CG TYR A 15 75.615 4.191 29.236 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.567 5.123 29.267 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.806 4.499 28.552 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.705 6.354 28.614 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.939 5.731 27.901 1.00 0.00 C ATOM 235 CZ TYR A 15 75.893 6.660 27.934 1.00 0.00 C ATOM 236 OH TYR A 15 76.027 7.875 27.296 1.00 0.00 O ATOM 0 H TYR A 15 77.977 3.218 31.245 1.00 0.00 H new ATOM 0 HA TYR A 15 75.098 3.576 31.983 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.117 2.117 29.471 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.448 2.496 29.850 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.654 4.891 29.795 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.616 3.785 28.529 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.896 7.069 28.634 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.851 5.965 27.372 1.00 0.00 H new ATOM 0 HH TYR A 15 75.495 8.551 27.765 1.00 0.00 H new ATOM 246 N HIS A 16 77.082 1.165 32.447 1.00 0.00 N ATOM 247 CA HIS A 16 77.187 -0.224 32.985 1.00 0.00 C ATOM 248 C HIS A 16 76.627 -1.158 31.914 1.00 0.00 C ATOM 249 O HIS A 16 75.839 -2.043 32.185 1.00 0.00 O ATOM 250 CB HIS A 16 76.405 -0.411 34.301 1.00 0.00 C ATOM 251 CG HIS A 16 77.082 0.306 35.445 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.147 -0.225 36.167 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.827 1.518 36.050 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.495 0.624 37.139 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.718 1.711 37.113 1.00 0.00 N ATOM 0 H HIS A 16 77.952 1.697 32.435 1.00 0.00 H new ATOM 0 HA HIS A 16 78.230 -0.442 33.215 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.390 -0.032 34.181 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.324 -1.473 34.531 1.00 0.00 H new ATOM 0 HD2 HIS A 16 76.057 2.213 35.750 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.293 0.455 37.847 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.764 2.515 37.738 1.00 0.00 H new ATOM 263 N SER A 17 77.020 -0.947 30.682 1.00 0.00 N ATOM 264 CA SER A 17 76.507 -1.801 29.577 1.00 0.00 C ATOM 265 C SER A 17 77.043 -3.230 29.733 1.00 0.00 C ATOM 266 O SER A 17 78.091 -3.447 30.311 1.00 0.00 O ATOM 267 CB SER A 17 76.974 -1.235 28.235 1.00 0.00 C ATOM 268 OG SER A 17 78.390 -1.331 28.160 1.00 0.00 O ATOM 0 H SER A 17 77.675 -0.218 30.398 1.00 0.00 H new ATOM 0 HA SER A 17 75.418 -1.815 29.613 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.515 -1.786 27.414 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.661 -0.196 28.135 1.00 0.00 H new ATOM 0 HG SER A 17 78.714 -0.800 27.403 1.00 0.00 H new ATOM 274 N ASN A 18 76.338 -4.202 29.210 1.00 0.00 N ATOM 275 CA ASN A 18 76.802 -5.621 29.309 1.00 0.00 C ATOM 276 C ASN A 18 78.006 -5.824 28.388 1.00 0.00 C ATOM 277 O ASN A 18 78.227 -5.068 27.466 1.00 0.00 O ATOM 278 CB ASN A 18 75.674 -6.563 28.872 1.00 0.00 C ATOM 279 CG ASN A 18 74.495 -6.433 29.841 1.00 0.00 C ATOM 280 OD1 ASN A 18 73.375 -6.217 29.418 1.00 0.00 O ATOM 281 ND2 ASN A 18 74.696 -6.563 31.126 1.00 0.00 N ATOM 0 H ASN A 18 75.455 -4.073 28.715 1.00 0.00 H new ATOM 0 HA ASN A 18 77.082 -5.839 30.340 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.354 -6.319 27.859 1.00 0.00 H new ATOM 0 HB3 ASN A 18 76.032 -7.592 28.854 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.913 -6.483 31.775 1.00 0.00 H new ATOM 0 HD22 ASN A 18 75.635 -6.744 31.479 1.00 0.00 H new ATOM 288 N TRP A 19 78.793 -6.832 28.633 1.00 0.00 N ATOM 289 CA TRP A 19 79.978 -7.062 27.769 1.00 0.00 C ATOM 290 C TRP A 19 79.544 -7.230 26.313 1.00 0.00 C ATOM 291 O TRP A 19 80.283 -6.918 25.403 1.00 0.00 O ATOM 292 CB TRP A 19 80.737 -8.301 28.242 1.00 0.00 C ATOM 293 CG TRP A 19 79.949 -9.530 27.956 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.154 -10.162 28.842 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.875 -10.282 26.716 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.596 -11.264 28.226 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.010 -11.380 26.913 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.469 -10.118 25.449 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.743 -12.289 25.895 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.200 -11.036 24.419 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.340 -12.119 24.644 1.00 0.00 C ATOM 0 H TRP A 19 78.667 -7.503 29.391 1.00 0.00 H new ATOM 0 HA TRP A 19 80.639 -6.198 27.838 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.704 -8.356 27.742 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.935 -8.228 29.311 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.982 -9.857 29.864 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.956 -11.913 28.684 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.132 -9.285 25.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.078 -13.122 26.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.658 -10.906 23.450 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.139 -12.823 23.850 1.00 0.00 H new ATOM 312 N ARG A 20 78.361 -7.721 26.072 1.00 0.00 N ATOM 313 CA ARG A 20 77.924 -7.891 24.660 1.00 0.00 C ATOM 314 C ARG A 20 77.873 -6.524 23.977 1.00 0.00 C ATOM 315 O ARG A 20 78.279 -6.371 22.843 1.00 0.00 O ATOM 316 CB ARG A 20 76.532 -8.529 24.628 1.00 0.00 C ATOM 317 CG ARG A 20 76.591 -9.925 25.252 1.00 0.00 C ATOM 318 CD ARG A 20 75.206 -10.577 25.189 1.00 0.00 C ATOM 319 NE ARG A 20 75.227 -11.880 25.923 1.00 0.00 N ATOM 320 CZ ARG A 20 74.106 -12.468 26.250 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.961 -11.961 25.886 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.133 -13.583 26.928 1.00 0.00 N ATOM 0 H ARG A 20 77.686 -8.008 26.781 1.00 0.00 H new ATOM 0 HA ARG A 20 78.630 -8.535 24.136 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.823 -7.906 25.173 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.175 -8.594 23.600 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.318 -10.540 24.722 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.925 -9.857 26.287 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.461 -9.913 25.628 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.917 -10.738 24.151 1.00 0.00 H new ATOM 0 HE ARG A 20 76.118 -12.311 26.169 1.00 0.00 H new ATOM 0 HH11 ARG A 20 72.935 -11.099 25.342 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.091 -12.427 26.146 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.026 -13.992 27.201 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.261 -14.045 27.185 1.00 0.00 H new ATOM 336 N ALA A 21 77.386 -5.527 24.660 1.00 0.00 N ATOM 337 CA ALA A 21 77.310 -4.170 24.051 1.00 0.00 C ATOM 338 C ALA A 21 78.731 -3.623 23.829 1.00 0.00 C ATOM 339 O ALA A 21 79.066 -3.156 22.757 1.00 0.00 O ATOM 340 CB ALA A 21 76.525 -3.255 25.008 1.00 0.00 C ATOM 0 H ALA A 21 77.036 -5.593 25.616 1.00 0.00 H new ATOM 0 HA ALA A 21 76.804 -4.212 23.086 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.457 -2.254 24.581 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.522 -3.656 25.154 1.00 0.00 H new ATOM 0 HB3 ALA A 21 77.039 -3.206 25.968 1.00 0.00 H new ATOM 346 N MET A 22 79.560 -3.680 24.840 1.00 0.00 N ATOM 347 CA MET A 22 80.960 -3.170 24.703 1.00 0.00 C ATOM 348 C MET A 22 81.694 -3.958 23.626 1.00 0.00 C ATOM 349 O MET A 22 82.455 -3.411 22.851 1.00 0.00 O ATOM 350 CB MET A 22 81.687 -3.317 26.038 1.00 0.00 C ATOM 351 CG MET A 22 81.073 -2.348 27.046 1.00 0.00 C ATOM 352 SD MET A 22 82.073 -2.322 28.549 1.00 0.00 S ATOM 353 CE MET A 22 81.651 -3.982 29.125 1.00 0.00 C ATOM 0 H MET A 22 79.328 -4.059 25.758 1.00 0.00 H new ATOM 0 HA MET A 22 80.935 -2.118 24.418 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.604 -4.341 26.401 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.749 -3.108 25.913 1.00 0.00 H new ATOM 0 HG2 MET A 22 81.018 -1.348 26.617 1.00 0.00 H new ATOM 0 HG3 MET A 22 80.053 -2.651 27.281 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.910 -4.078 30.179 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.582 -4.151 28.997 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.207 -4.720 28.546 1.00 0.00 H new ATOM 363 N ALA A 23 81.477 -5.242 23.569 1.00 0.00 N ATOM 364 CA ALA A 23 82.168 -6.050 22.532 1.00 0.00 C ATOM 365 C ALA A 23 81.775 -5.506 21.159 1.00 0.00 C ATOM 366 O ALA A 23 82.606 -5.297 20.302 1.00 0.00 O ATOM 367 CB ALA A 23 81.745 -7.515 22.658 1.00 0.00 C ATOM 0 H ALA A 23 80.857 -5.761 24.190 1.00 0.00 H new ATOM 0 HA ALA A 23 83.249 -5.988 22.659 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.253 -8.107 21.897 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.014 -7.888 23.646 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.667 -7.595 22.521 1.00 0.00 H new ATOM 373 N SER A 24 80.512 -5.272 20.946 1.00 0.00 N ATOM 374 CA SER A 24 80.074 -4.738 19.631 1.00 0.00 C ATOM 375 C SER A 24 80.559 -3.295 19.462 1.00 0.00 C ATOM 376 O SER A 24 80.933 -2.876 18.383 1.00 0.00 O ATOM 377 CB SER A 24 78.550 -4.774 19.549 1.00 0.00 C ATOM 378 OG SER A 24 78.158 -4.421 18.233 1.00 0.00 O ATOM 0 H SER A 24 79.766 -5.427 21.624 1.00 0.00 H new ATOM 0 HA SER A 24 80.499 -5.353 18.838 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.181 -5.769 19.799 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.116 -4.082 20.271 1.00 0.00 H new ATOM 0 HG SER A 24 77.181 -4.442 18.166 1.00 0.00 H new ATOM 384 N ASP A 25 80.540 -2.529 20.516 1.00 0.00 N ATOM 385 CA ASP A 25 80.973 -1.106 20.409 1.00 0.00 C ATOM 386 C ASP A 25 82.428 -1.025 19.937 1.00 0.00 C ATOM 387 O ASP A 25 82.771 -0.177 19.135 1.00 0.00 O ATOM 388 CB ASP A 25 80.837 -0.425 21.773 1.00 0.00 C ATOM 389 CG ASP A 25 81.039 1.082 21.614 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.488 1.492 20.557 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.744 1.803 22.552 1.00 0.00 O ATOM 0 H ASP A 25 80.244 -2.825 21.446 1.00 0.00 H new ATOM 0 HA ASP A 25 80.339 -0.599 19.682 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.853 -0.628 22.196 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.573 -0.830 22.468 1.00 0.00 H new ATOM 396 N PHE A 26 83.285 -1.895 20.418 1.00 0.00 N ATOM 397 CA PHE A 26 84.724 -1.867 19.988 1.00 0.00 C ATOM 398 C PHE A 26 85.032 -3.103 19.143 1.00 0.00 C ATOM 399 O PHE A 26 86.135 -3.285 18.670 1.00 0.00 O ATOM 400 CB PHE A 26 85.621 -1.840 21.224 1.00 0.00 C ATOM 401 CG PHE A 26 85.352 -0.567 21.976 1.00 0.00 C ATOM 402 CD1 PHE A 26 84.326 -0.522 22.929 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.116 0.571 21.711 1.00 0.00 C ATOM 404 CE1 PHE A 26 84.064 0.667 23.616 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.859 1.762 22.399 1.00 0.00 C ATOM 406 CZ PHE A 26 84.831 1.811 23.351 1.00 0.00 C ATOM 0 H PHE A 26 83.051 -2.625 21.091 1.00 0.00 H new ATOM 0 HA PHE A 26 84.910 -0.975 19.390 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.421 -2.704 21.857 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.670 -1.894 20.933 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.738 -1.405 23.133 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.905 0.532 20.975 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.272 0.705 24.350 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.452 2.642 22.197 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.630 2.730 23.881 1.00 0.00 H new ATOM 416 N ASN A 27 84.057 -3.943 18.939 1.00 0.00 N ATOM 417 CA ASN A 27 84.272 -5.164 18.112 1.00 0.00 C ATOM 418 C ASN A 27 85.439 -5.988 18.669 1.00 0.00 C ATOM 419 O ASN A 27 86.341 -6.355 17.945 1.00 0.00 O ATOM 420 CB ASN A 27 84.579 -4.757 16.667 1.00 0.00 C ATOM 421 CG ASN A 27 84.456 -5.976 15.753 1.00 0.00 C ATOM 422 OD1 ASN A 27 83.446 -6.659 15.754 1.00 0.00 O ATOM 423 ND2 ASN A 27 85.450 -6.280 14.968 1.00 0.00 N ATOM 0 H ASN A 27 83.114 -3.836 19.312 1.00 0.00 H new ATOM 0 HA ASN A 27 83.367 -5.771 18.140 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.890 -3.977 16.344 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.584 -4.341 16.602 1.00 0.00 H new ATOM 0 HD21 ASN A 27 85.384 -7.091 14.353 1.00 0.00 H new ATOM 0 HD22 ASN A 27 86.294 -5.707 14.969 1.00 0.00 H new ATOM 430 N LEU A 28 85.434 -6.282 19.954 1.00 0.00 N ATOM 431 CA LEU A 28 86.556 -7.089 20.557 1.00 0.00 C ATOM 432 C LEU A 28 86.025 -8.422 21.108 1.00 0.00 C ATOM 433 O LEU A 28 84.897 -8.500 21.557 1.00 0.00 O ATOM 434 CB LEU A 28 87.177 -6.305 21.717 1.00 0.00 C ATOM 435 CG LEU A 28 87.742 -4.976 21.201 1.00 0.00 C ATOM 436 CD1 LEU A 28 88.113 -4.083 22.386 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.997 -5.228 20.344 1.00 0.00 C ATOM 0 H LEU A 28 84.705 -6.000 20.610 1.00 0.00 H new ATOM 0 HA LEU A 28 87.297 -7.284 19.782 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.426 -6.118 22.485 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.969 -6.892 22.182 1.00 0.00 H new ATOM 0 HG LEU A 28 86.984 -4.485 20.591 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.514 -3.139 22.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.225 -3.890 22.988 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.864 -4.583 22.997 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.389 -4.277 19.984 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.755 -5.727 20.947 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.736 -5.858 19.494 1.00 0.00 H new ATOM 449 N PRO A 29 86.834 -9.466 21.115 1.00 0.00 N ATOM 450 CA PRO A 29 86.404 -10.776 21.669 1.00 0.00 C ATOM 451 C PRO A 29 85.683 -10.592 23.009 1.00 0.00 C ATOM 452 O PRO A 29 85.887 -9.604 23.687 1.00 0.00 O ATOM 453 CB PRO A 29 87.722 -11.537 21.874 1.00 0.00 C ATOM 454 CG PRO A 29 88.670 -10.966 20.867 1.00 0.00 C ATOM 455 CD PRO A 29 88.217 -9.521 20.597 1.00 0.00 C ATOM 0 HA PRO A 29 85.706 -11.298 21.014 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.099 -11.404 22.888 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.585 -12.608 21.722 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.692 -10.986 21.244 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.657 -11.553 19.948 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.860 -8.802 21.104 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.252 -9.286 19.533 1.00 0.00 H new ATOM 463 N PRO A 30 84.859 -11.527 23.400 1.00 0.00 N ATOM 464 CA PRO A 30 84.133 -11.436 24.694 1.00 0.00 C ATOM 465 C PRO A 30 85.106 -11.283 25.871 1.00 0.00 C ATOM 466 O PRO A 30 84.798 -10.676 26.872 1.00 0.00 O ATOM 467 CB PRO A 30 83.354 -12.771 24.795 1.00 0.00 C ATOM 468 CG PRO A 30 83.925 -13.674 23.733 1.00 0.00 C ATOM 469 CD PRO A 30 84.524 -12.761 22.664 1.00 0.00 C ATOM 0 HA PRO A 30 83.478 -10.566 24.735 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.468 -13.214 25.784 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.287 -12.612 24.638 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.686 -14.332 24.152 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.150 -14.312 23.308 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.408 -13.206 22.207 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.814 -12.567 21.860 1.00 0.00 H new ATOM 477 N VAL A 31 86.269 -11.852 25.751 1.00 0.00 N ATOM 478 CA VAL A 31 87.267 -11.787 26.859 1.00 0.00 C ATOM 479 C VAL A 31 87.541 -10.340 27.248 1.00 0.00 C ATOM 480 O VAL A 31 87.536 -9.989 28.413 1.00 0.00 O ATOM 481 CB VAL A 31 88.573 -12.457 26.388 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.633 -12.449 27.506 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.282 -13.912 25.982 1.00 0.00 C ATOM 0 H VAL A 31 86.578 -12.366 24.925 1.00 0.00 H new ATOM 0 HA VAL A 31 86.872 -12.307 27.732 1.00 0.00 H new ATOM 0 HB VAL A 31 88.959 -11.896 25.537 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.544 -12.928 27.147 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.852 -11.420 27.792 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.254 -12.993 28.371 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.204 -14.388 25.648 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.882 -14.456 26.838 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.553 -13.925 25.171 1.00 0.00 H new ATOM 493 N VAL A 32 87.794 -9.496 26.302 1.00 0.00 N ATOM 494 CA VAL A 32 88.083 -8.084 26.656 1.00 0.00 C ATOM 495 C VAL A 32 86.835 -7.428 27.236 1.00 0.00 C ATOM 496 O VAL A 32 86.865 -6.827 28.293 1.00 0.00 O ATOM 497 CB VAL A 32 88.531 -7.334 25.403 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.821 -5.869 25.749 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.799 -7.989 24.850 1.00 0.00 C ATOM 0 H VAL A 32 87.814 -9.715 25.306 1.00 0.00 H new ATOM 0 HA VAL A 32 88.876 -8.051 27.403 1.00 0.00 H new ATOM 0 HB VAL A 32 87.739 -7.374 24.655 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.140 -5.339 24.851 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.918 -5.403 26.144 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.611 -5.822 26.498 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.123 -7.457 23.955 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.587 -7.948 25.602 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.591 -9.029 24.599 1.00 0.00 H new ATOM 509 N ALA A 33 85.732 -7.545 26.562 1.00 0.00 N ATOM 510 CA ALA A 33 84.491 -6.933 27.085 1.00 0.00 C ATOM 511 C ALA A 33 84.081 -7.633 28.381 1.00 0.00 C ATOM 512 O ALA A 33 83.655 -6.999 29.327 1.00 0.00 O ATOM 513 CB ALA A 33 83.389 -7.072 26.037 1.00 0.00 C ATOM 0 H ALA A 33 85.637 -8.037 25.674 1.00 0.00 H new ATOM 0 HA ALA A 33 84.657 -5.877 27.296 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.470 -6.623 26.414 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.692 -6.564 25.121 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.218 -8.128 25.827 1.00 0.00 H new ATOM 519 N LYS A 34 84.211 -8.934 28.436 1.00 0.00 N ATOM 520 CA LYS A 34 83.836 -9.662 29.680 1.00 0.00 C ATOM 521 C LYS A 34 84.720 -9.191 30.832 1.00 0.00 C ATOM 522 O LYS A 34 84.270 -9.043 31.950 1.00 0.00 O ATOM 523 CB LYS A 34 84.025 -11.171 29.481 1.00 0.00 C ATOM 524 CG LYS A 34 82.948 -11.745 28.533 1.00 0.00 C ATOM 525 CD LYS A 34 81.688 -12.140 29.330 1.00 0.00 C ATOM 526 CE LYS A 34 81.841 -13.553 29.910 1.00 0.00 C ATOM 527 NZ LYS A 34 80.894 -13.732 31.052 1.00 0.00 N ATOM 0 H LYS A 34 84.559 -9.519 27.676 1.00 0.00 H new ATOM 0 HA LYS A 34 82.790 -9.458 29.911 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.016 -11.366 29.071 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.973 -11.678 30.445 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.690 -11.006 27.775 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.342 -12.615 28.008 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.521 -11.426 30.136 1.00 0.00 H new ATOM 0 HD3 LYS A 34 80.813 -12.099 28.682 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.641 -14.297 29.139 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.866 -13.710 30.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.999 -14.690 31.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.105 -13.031 31.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.918 -13.600 30.718 1.00 0.00 H new ATOM 541 N GLU A 35 85.985 -8.988 30.580 1.00 0.00 N ATOM 542 CA GLU A 35 86.901 -8.560 31.675 1.00 0.00 C ATOM 543 C GLU A 35 86.437 -7.229 32.279 1.00 0.00 C ATOM 544 O GLU A 35 86.481 -7.051 33.480 1.00 0.00 O ATOM 545 CB GLU A 35 88.321 -8.416 31.119 1.00 0.00 C ATOM 546 CG GLU A 35 89.329 -8.345 32.271 1.00 0.00 C ATOM 547 CD GLU A 35 89.214 -6.993 32.987 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.792 -6.041 32.352 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.551 -6.937 34.160 1.00 0.00 O ATOM 0 H GLU A 35 86.423 -9.100 29.665 1.00 0.00 H new ATOM 0 HA GLU A 35 86.890 -9.314 32.462 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.555 -9.261 30.472 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.392 -7.517 30.507 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.146 -9.156 32.976 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.341 -8.478 31.888 1.00 0.00 H new ATOM 556 N ILE A 36 85.983 -6.297 31.475 1.00 0.00 N ATOM 557 CA ILE A 36 85.525 -4.997 32.051 1.00 0.00 C ATOM 558 C ILE A 36 84.390 -5.273 33.019 1.00 0.00 C ATOM 559 O ILE A 36 84.336 -4.736 34.106 1.00 0.00 O ATOM 560 CB ILE A 36 85.026 -4.073 30.927 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.164 -3.859 29.928 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.607 -2.713 31.515 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.785 -2.787 28.902 1.00 0.00 C ATOM 0 H ILE A 36 85.911 -6.379 30.461 1.00 0.00 H new ATOM 0 HA ILE A 36 86.352 -4.510 32.567 1.00 0.00 H new ATOM 0 HB ILE A 36 84.168 -4.528 30.432 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.069 -3.560 30.457 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.388 -4.796 29.418 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.255 -2.063 30.714 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.807 -2.861 32.240 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.462 -2.250 32.008 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.607 -2.649 28.200 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.893 -3.102 28.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.584 -1.847 29.415 1.00 0.00 H new ATOM 575 N VAL A 37 83.485 -6.115 32.641 1.00 0.00 N ATOM 576 CA VAL A 37 82.365 -6.432 33.553 1.00 0.00 C ATOM 577 C VAL A 37 82.917 -7.114 34.798 1.00 0.00 C ATOM 578 O VAL A 37 82.475 -6.875 35.905 1.00 0.00 O ATOM 579 CB VAL A 37 81.388 -7.362 32.841 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.239 -7.708 33.782 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.842 -6.663 31.592 1.00 0.00 C ATOM 0 H VAL A 37 83.470 -6.598 31.742 1.00 0.00 H new ATOM 0 HA VAL A 37 81.846 -5.518 33.841 1.00 0.00 H new ATOM 0 HB VAL A 37 81.900 -8.278 32.548 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.540 -8.373 33.274 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.632 -8.204 34.669 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.722 -6.795 34.076 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.143 -7.325 31.081 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.327 -5.747 31.883 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.666 -6.418 30.922 1.00 0.00 H new ATOM 591 N ALA A 38 83.871 -7.973 34.615 1.00 0.00 N ATOM 592 CA ALA A 38 84.459 -8.693 35.770 1.00 0.00 C ATOM 593 C ALA A 38 85.051 -7.706 36.762 1.00 0.00 C ATOM 594 O ALA A 38 85.042 -7.924 37.956 1.00 0.00 O ATOM 595 CB ALA A 38 85.561 -9.619 35.274 1.00 0.00 C ATOM 0 H ALA A 38 84.273 -8.210 33.708 1.00 0.00 H new ATOM 0 HA ALA A 38 83.676 -9.269 36.264 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.997 -10.151 36.119 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.143 -10.338 34.570 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.334 -9.032 34.777 1.00 0.00 H new ATOM 601 N SER A 39 85.594 -6.635 36.277 1.00 0.00 N ATOM 602 CA SER A 39 86.219 -5.641 37.187 1.00 0.00 C ATOM 603 C SER A 39 85.140 -4.771 37.849 1.00 0.00 C ATOM 604 O SER A 39 85.352 -4.211 38.907 1.00 0.00 O ATOM 605 CB SER A 39 87.159 -4.762 36.368 1.00 0.00 C ATOM 606 OG SER A 39 88.156 -5.580 35.764 1.00 0.00 O ATOM 0 H SER A 39 85.634 -6.401 35.285 1.00 0.00 H new ATOM 0 HA SER A 39 86.772 -6.158 37.971 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.599 -4.225 35.602 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.625 -4.012 37.007 1.00 0.00 H new ATOM 0 HG SER A 39 87.765 -6.071 35.012 1.00 0.00 H new ATOM 612 N CYS A 40 83.991 -4.649 37.241 1.00 0.00 N ATOM 613 CA CYS A 40 82.915 -3.805 37.842 1.00 0.00 C ATOM 614 C CYS A 40 82.198 -4.602 38.926 1.00 0.00 C ATOM 615 O CYS A 40 81.369 -5.446 38.652 1.00 0.00 O ATOM 616 CB CYS A 40 81.925 -3.389 36.753 1.00 0.00 C ATOM 617 SG CYS A 40 80.566 -2.441 37.487 1.00 0.00 S ATOM 0 H CYS A 40 83.750 -5.096 36.356 1.00 0.00 H new ATOM 0 HA CYS A 40 83.351 -2.910 38.285 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.432 -2.789 35.998 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.533 -4.272 36.248 1.00 0.00 H new ATOM 622 N ASP A 41 82.526 -4.350 40.159 1.00 0.00 N ATOM 623 CA ASP A 41 81.883 -5.099 41.272 1.00 0.00 C ATOM 624 C ASP A 41 80.367 -4.877 41.260 1.00 0.00 C ATOM 625 O ASP A 41 79.602 -5.720 41.681 1.00 0.00 O ATOM 626 CB ASP A 41 82.462 -4.627 42.609 1.00 0.00 C ATOM 627 CG ASP A 41 83.930 -5.058 42.708 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.366 -5.796 41.843 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.588 -4.639 43.645 1.00 0.00 O ATOM 0 H ASP A 41 83.215 -3.655 40.446 1.00 0.00 H new ATOM 0 HA ASP A 41 82.082 -6.163 41.142 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.383 -3.543 42.690 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.891 -5.050 43.435 1.00 0.00 H new ATOM 634 N LYS A 42 79.925 -3.745 40.806 1.00 0.00 N ATOM 635 CA LYS A 42 78.462 -3.466 40.807 1.00 0.00 C ATOM 636 C LYS A 42 77.740 -4.355 39.790 1.00 0.00 C ATOM 637 O LYS A 42 76.583 -4.670 39.958 1.00 0.00 O ATOM 638 CB LYS A 42 78.229 -1.998 40.453 1.00 0.00 C ATOM 639 CG LYS A 42 78.961 -1.125 41.464 1.00 0.00 C ATOM 640 CD LYS A 42 78.592 0.335 41.231 1.00 0.00 C ATOM 641 CE LYS A 42 79.457 1.223 42.123 1.00 0.00 C ATOM 642 NZ LYS A 42 79.307 0.811 43.548 1.00 0.00 N ATOM 0 H LYS A 42 80.510 -2.998 40.433 1.00 0.00 H new ATOM 0 HA LYS A 42 78.065 -3.680 41.799 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.590 -1.791 39.445 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.163 -1.773 40.462 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.694 -1.422 42.478 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.038 -1.260 41.365 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.741 0.597 40.184 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.537 0.495 41.453 1.00 0.00 H new ATOM 0 HE2 LYS A 42 80.502 1.148 41.822 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.165 2.267 42.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.699 1.550 44.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.299 0.676 43.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.818 -0.080 43.707 1.00 0.00 H new ATOM 656 N CYS A 43 78.393 -4.731 38.723 1.00 0.00 N ATOM 657 CA CYS A 43 77.720 -5.576 37.685 1.00 0.00 C ATOM 658 C CYS A 43 77.913 -7.087 37.932 1.00 0.00 C ATOM 659 O CYS A 43 76.956 -7.829 38.039 1.00 0.00 O ATOM 660 CB CYS A 43 78.281 -5.202 36.312 1.00 0.00 C ATOM 661 SG CYS A 43 77.486 -3.674 35.749 1.00 0.00 S ATOM 0 H CYS A 43 79.364 -4.491 38.522 1.00 0.00 H new ATOM 0 HA CYS A 43 76.649 -5.382 37.736 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.361 -5.066 36.371 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.100 -6.006 35.599 1.00 0.00 H new ATOM 666 N GLN A 44 79.131 -7.560 37.953 1.00 0.00 N ATOM 667 CA GLN A 44 79.360 -9.037 38.111 1.00 0.00 C ATOM 668 C GLN A 44 78.985 -9.554 39.509 1.00 0.00 C ATOM 669 O GLN A 44 78.457 -10.644 39.643 1.00 0.00 O ATOM 670 CB GLN A 44 80.830 -9.370 37.824 1.00 0.00 C ATOM 671 CG GLN A 44 80.970 -10.887 37.640 1.00 0.00 C ATOM 672 CD GLN A 44 82.422 -11.251 37.308 1.00 0.00 C ATOM 673 OE1 GLN A 44 82.685 -11.895 36.201 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.324 -10.951 38.063 1.00 0.00 N ATOM 0 H GLN A 44 79.976 -6.996 37.869 1.00 0.00 H new ATOM 0 HA GLN A 44 78.708 -9.536 37.394 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.166 -8.849 36.928 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.461 -9.030 38.646 1.00 0.00 H new ATOM 0 HG2 GLN A 44 80.658 -11.401 38.549 1.00 0.00 H new ATOM 0 HG3 GLN A 44 80.311 -11.226 36.840 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.120 -10.449 38.927 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.286 -11.201 37.833 1.00 0.00 H new ATOM 683 N LEU A 45 79.261 -8.825 40.550 1.00 0.00 N ATOM 684 CA LEU A 45 78.919 -9.336 41.915 1.00 0.00 C ATOM 685 C LEU A 45 77.453 -9.066 42.212 1.00 0.00 C ATOM 686 O LEU A 45 76.991 -9.206 43.329 1.00 0.00 O ATOM 687 CB LEU A 45 79.805 -8.672 42.969 1.00 0.00 C ATOM 688 CG LEU A 45 81.286 -8.880 42.624 1.00 0.00 C ATOM 689 CD1 LEU A 45 82.150 -8.255 43.732 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.596 -10.386 42.519 1.00 0.00 C ATOM 0 H LEU A 45 79.704 -7.906 40.523 1.00 0.00 H new ATOM 0 HA LEU A 45 79.095 -10.411 41.945 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.583 -7.606 43.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.591 -9.092 43.952 1.00 0.00 H new ATOM 0 HG LEU A 45 81.506 -8.406 41.668 1.00 0.00 H new ATOM 0 HD11 LEU A 45 83.204 -8.398 43.495 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.935 -7.189 43.803 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.924 -8.735 44.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.649 -10.524 42.274 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.378 -10.870 43.471 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.980 -10.831 41.737 1.00 0.00 H new ATOM 702 N LYS A 46 76.719 -8.698 41.213 1.00 0.00 N ATOM 703 CA LYS A 46 75.271 -8.434 41.404 1.00 0.00 C ATOM 704 C LYS A 46 74.517 -9.762 41.330 1.00 0.00 C ATOM 705 O LYS A 46 74.625 -10.497 40.368 1.00 0.00 O ATOM 706 CB LYS A 46 74.774 -7.514 40.290 1.00 0.00 C ATOM 707 CG LYS A 46 73.319 -7.127 40.556 1.00 0.00 C ATOM 708 CD LYS A 46 72.804 -6.241 39.420 1.00 0.00 C ATOM 709 CE LYS A 46 71.429 -5.683 39.803 1.00 0.00 C ATOM 710 NZ LYS A 46 70.899 -4.820 38.704 1.00 0.00 N ATOM 0 H LYS A 46 77.060 -8.566 40.261 1.00 0.00 H new ATOM 0 HA LYS A 46 75.103 -7.960 42.371 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.395 -6.620 40.239 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.857 -8.016 39.326 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.704 -8.023 40.639 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.241 -6.598 41.506 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.502 -5.425 39.233 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.732 -6.817 38.497 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.737 -6.502 39.998 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.506 -5.105 40.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 69.967 -4.447 38.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.553 -4.029 38.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.808 -5.383 37.834 1.00 0.00 H new ATOM 724 N GLY A 47 73.757 -10.080 42.338 1.00 0.00 N ATOM 725 CA GLY A 47 73.005 -11.366 42.319 1.00 0.00 C ATOM 726 C GLY A 47 72.601 -11.737 43.746 1.00 0.00 C ATOM 727 O GLY A 47 72.612 -10.909 44.636 1.00 0.00 O ATOM 0 H GLY A 47 73.623 -9.508 43.172 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.119 -11.273 41.691 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.621 -12.154 41.887 1.00 0.00 H new ATOM 731 N GLU A 48 72.253 -12.975 43.978 1.00 0.00 N ATOM 732 CA GLU A 48 71.856 -13.396 45.358 1.00 0.00 C ATOM 733 C GLU A 48 73.090 -13.850 46.136 1.00 0.00 C ATOM 734 O GLU A 48 73.842 -14.691 45.682 1.00 0.00 O ATOM 735 CB GLU A 48 70.890 -14.578 45.290 1.00 0.00 C ATOM 736 CG GLU A 48 69.639 -14.186 44.517 1.00 0.00 C ATOM 737 CD GLU A 48 68.633 -15.338 44.581 1.00 0.00 C ATOM 738 OE1 GLU A 48 69.021 -16.412 45.015 1.00 0.00 O ATOM 739 OE2 GLU A 48 67.492 -15.130 44.204 1.00 0.00 O ATOM 0 H GLU A 48 72.226 -13.713 43.275 1.00 0.00 H new ATOM 0 HA GLU A 48 71.382 -12.547 45.850 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.375 -15.427 44.807 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.620 -14.896 46.297 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.203 -13.281 44.940 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.891 -13.963 43.480 1.00 0.00 H new ATOM 746 N ALA A 49 73.291 -13.321 47.318 1.00 0.00 N ATOM 747 CA ALA A 49 74.466 -13.739 48.147 1.00 0.00 C ATOM 748 C ALA A 49 74.022 -14.849 49.108 1.00 0.00 C ATOM 749 O ALA A 49 72.890 -15.291 49.074 1.00 0.00 O ATOM 750 CB ALA A 49 75.012 -12.547 48.938 1.00 0.00 C ATOM 0 H ALA A 49 72.691 -12.616 47.746 1.00 0.00 H new ATOM 0 HA ALA A 49 75.259 -14.108 47.496 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.866 -12.867 49.535 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.326 -11.765 48.247 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.234 -12.159 49.596 1.00 0.00 H new ATOM 756 N MET A 50 74.896 -15.319 49.950 1.00 0.00 N ATOM 757 CA MET A 50 74.507 -16.409 50.885 1.00 0.00 C ATOM 758 C MET A 50 73.349 -15.960 51.776 1.00 0.00 C ATOM 759 O MET A 50 72.705 -16.766 52.421 1.00 0.00 O ATOM 760 CB MET A 50 75.706 -16.789 51.746 1.00 0.00 C ATOM 761 CG MET A 50 76.796 -17.373 50.848 1.00 0.00 C ATOM 762 SD MET A 50 78.142 -17.993 51.884 1.00 0.00 S ATOM 763 CE MET A 50 79.221 -18.572 50.552 1.00 0.00 C ATOM 0 H MET A 50 75.860 -14.997 50.032 1.00 0.00 H new ATOM 0 HA MET A 50 74.183 -17.274 50.307 1.00 0.00 H new ATOM 0 HB2 MET A 50 76.083 -15.914 52.275 1.00 0.00 H new ATOM 0 HB3 MET A 50 75.411 -17.516 52.503 1.00 0.00 H new ATOM 0 HG2 MET A 50 76.389 -18.179 50.237 1.00 0.00 H new ATOM 0 HG3 MET A 50 77.168 -16.611 50.163 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.128 -19.000 50.979 1.00 0.00 H new ATOM 0 HE2 MET A 50 78.702 -19.331 49.967 1.00 0.00 H new ATOM 0 HE3 MET A 50 79.484 -17.734 49.907 1.00 0.00 H new ATOM 773 N HIS A 51 73.058 -14.687 51.818 1.00 0.00 N ATOM 774 CA HIS A 51 71.924 -14.219 52.664 1.00 0.00 C ATOM 775 C HIS A 51 70.627 -14.313 51.859 1.00 0.00 C ATOM 776 O HIS A 51 70.540 -13.841 50.740 1.00 0.00 O ATOM 777 CB HIS A 51 72.150 -12.767 53.091 1.00 0.00 C ATOM 778 CG HIS A 51 71.033 -12.316 54.000 1.00 0.00 C ATOM 779 ND1 HIS A 51 69.962 -11.558 53.538 1.00 0.00 N ATOM 780 CD2 HIS A 51 70.807 -12.500 55.343 1.00 0.00 C ATOM 781 CE1 HIS A 51 69.151 -11.318 54.587 1.00 0.00 C ATOM 782 NE2 HIS A 51 69.621 -11.869 55.705 1.00 0.00 N ATOM 0 H HIS A 51 73.553 -13.956 51.307 1.00 0.00 H new ATOM 0 HA HIS A 51 71.858 -14.845 53.554 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.107 -12.675 53.604 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.197 -12.124 52.212 1.00 0.00 H new ATOM 0 HD2 HIS A 51 71.451 -13.050 56.014 1.00 0.00 H new ATOM 0 HE1 HIS A 51 68.234 -10.750 54.529 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.199 -11.835 56.633 1.00 0.00 H new ATOM 790 N GLY A 52 69.622 -14.919 52.416 1.00 0.00 N ATOM 791 CA GLY A 52 68.326 -15.050 51.698 1.00 0.00 C ATOM 792 C GLY A 52 67.335 -15.754 52.621 1.00 0.00 C ATOM 793 O GLY A 52 66.246 -15.276 52.869 1.00 0.00 O ATOM 0 H GLY A 52 69.641 -15.334 53.348 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.948 -14.068 51.414 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.458 -15.619 50.778 1.00 0.00 H new ATOM 797 N GLN A 53 67.716 -16.886 53.147 1.00 0.00 N ATOM 798 CA GLN A 53 66.812 -17.624 54.069 1.00 0.00 C ATOM 799 C GLN A 53 66.807 -16.908 55.431 1.00 0.00 C ATOM 800 O GLN A 53 67.632 -16.058 55.696 1.00 0.00 O ATOM 801 CB GLN A 53 67.309 -19.073 54.220 1.00 0.00 C ATOM 802 CG GLN A 53 67.266 -19.777 52.853 1.00 0.00 C ATOM 803 CD GLN A 53 67.800 -21.210 52.981 1.00 0.00 C ATOM 804 OE1 GLN A 53 68.282 -21.620 54.125 1.00 0.00 O flip ATOM 805 NE2 GLN A 53 67.784 -21.964 52.028 1.00 0.00 N flip ATOM 0 H GLN A 53 68.618 -17.331 52.976 1.00 0.00 H new ATOM 0 HA GLN A 53 65.797 -17.646 53.672 1.00 0.00 H new ATOM 0 HB2 GLN A 53 68.326 -19.081 54.613 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.687 -19.609 54.936 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.243 -19.794 52.476 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.863 -19.221 52.130 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.409 -21.648 51.134 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.146 -22.913 52.122 1.00 0.00 H new ATOM 814 N VAL A 54 65.861 -17.227 56.278 1.00 0.00 N ATOM 815 CA VAL A 54 65.765 -16.556 57.621 1.00 0.00 C ATOM 816 C VAL A 54 65.516 -15.059 57.420 1.00 0.00 C ATOM 817 O VAL A 54 65.776 -14.514 56.364 1.00 0.00 O ATOM 818 CB VAL A 54 67.065 -16.755 58.423 1.00 0.00 C ATOM 819 CG1 VAL A 54 66.849 -16.363 59.895 1.00 0.00 C ATOM 820 CG2 VAL A 54 67.485 -18.223 58.354 1.00 0.00 C ATOM 0 H VAL A 54 65.143 -17.929 56.100 1.00 0.00 H new ATOM 0 HA VAL A 54 64.941 -17.001 58.178 1.00 0.00 H new ATOM 0 HB VAL A 54 67.843 -16.123 57.994 1.00 0.00 H new ATOM 0 HG11 VAL A 54 67.776 -16.509 60.450 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.552 -15.316 59.953 1.00 0.00 H new ATOM 0 HG13 VAL A 54 66.066 -16.987 60.326 1.00 0.00 H new ATOM 0 HG21 VAL A 54 68.405 -18.365 58.921 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.698 -18.847 58.777 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.652 -18.505 57.315 1.00 0.00 H new ATOM 830 N ASP A 55 65.010 -14.387 58.420 1.00 0.00 N ATOM 831 CA ASP A 55 64.743 -12.926 58.284 1.00 0.00 C ATOM 832 C ASP A 55 65.971 -12.146 58.771 1.00 0.00 C ATOM 833 O ASP A 55 66.609 -11.513 57.943 1.00 0.00 O ATOM 834 CB ASP A 55 63.510 -12.572 59.120 1.00 0.00 C ATOM 835 CG ASP A 55 62.978 -11.193 58.725 1.00 0.00 C ATOM 836 OD1 ASP A 55 63.641 -10.518 57.955 1.00 0.00 O ATOM 837 OD2 ASP A 55 61.915 -10.833 59.204 1.00 0.00 O ATOM 838 OXT ASP A 55 66.263 -12.206 59.954 1.00 0.00 O ATOM 0 H ASP A 55 64.770 -14.788 59.327 1.00 0.00 H new ATOM 0 HA ASP A 55 64.553 -12.664 57.243 1.00 0.00 H new ATOM 0 HB2 ASP A 55 62.735 -13.324 58.973 1.00 0.00 H new ATOM 0 HB3 ASP A 55 63.766 -12.581 60.179 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.649 -14.352 21.481 1.00 0.00 N ATOM 845 CA PHE B 1 92.853 -14.225 22.733 1.00 0.00 C ATOM 846 C PHE B 1 92.358 -15.606 23.161 1.00 0.00 C ATOM 847 O PHE B 1 92.729 -16.124 24.196 1.00 0.00 O ATOM 848 CB PHE B 1 91.634 -13.330 22.483 1.00 0.00 C ATOM 849 CG PHE B 1 92.057 -11.893 22.266 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.591 -11.504 21.032 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.885 -10.943 23.284 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.955 -10.172 20.814 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.257 -9.609 23.064 1.00 0.00 C ATOM 854 CZ PHE B 1 92.786 -9.224 21.829 1.00 0.00 C ATOM 0 H1 PHE B 1 93.714 -13.424 21.015 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.605 -14.692 21.710 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.185 -15.029 20.842 1.00 0.00 H new ATOM 0 HA PHE B 1 93.481 -13.790 23.510 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.087 -13.688 21.611 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.954 -13.389 23.332 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.722 -12.234 20.247 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.467 -11.238 24.235 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.367 -9.874 19.861 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.135 -8.878 23.850 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.064 -8.195 21.658 1.00 0.00 H new ATOM 866 N LEU B 2 91.502 -16.189 22.375 1.00 0.00 N ATOM 867 CA LEU B 2 90.949 -17.522 22.729 1.00 0.00 C ATOM 868 C LEU B 2 92.019 -18.616 22.605 1.00 0.00 C ATOM 869 O LEU B 2 92.060 -19.540 23.389 1.00 0.00 O ATOM 870 CB LEU B 2 89.791 -17.846 21.777 1.00 0.00 C ATOM 871 CG LEU B 2 88.791 -16.683 21.740 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.649 -17.036 20.784 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.231 -16.438 23.146 1.00 0.00 C ATOM 0 H LEU B 2 91.159 -15.798 21.498 1.00 0.00 H new ATOM 0 HA LEU B 2 90.604 -17.493 23.762 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.177 -18.035 20.775 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.288 -18.757 22.102 1.00 0.00 H new ATOM 0 HG LEU B 2 89.292 -15.779 21.395 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.934 -16.214 20.752 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.050 -17.207 19.785 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.148 -17.939 21.133 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.521 -15.611 23.116 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.726 -17.337 23.498 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.047 -16.191 23.825 1.00 0.00 H new ATOM 885 N ASP B 3 92.858 -18.541 21.612 1.00 0.00 N ATOM 886 CA ASP B 3 93.890 -19.606 21.430 1.00 0.00 C ATOM 887 C ASP B 3 94.876 -19.633 22.605 1.00 0.00 C ATOM 888 O ASP B 3 95.184 -20.677 23.148 1.00 0.00 O ATOM 889 CB ASP B 3 94.651 -19.347 20.134 1.00 0.00 C ATOM 890 CG ASP B 3 95.551 -20.544 19.836 1.00 0.00 C ATOM 891 OD1 ASP B 3 96.001 -21.170 20.779 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.764 -20.821 18.671 1.00 0.00 O ATOM 0 H ASP B 3 92.877 -17.793 20.919 1.00 0.00 H new ATOM 0 HA ASP B 3 93.386 -20.572 21.388 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.952 -19.188 19.313 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.249 -18.440 20.224 1.00 0.00 H new ATOM 897 N GLY B 4 95.382 -18.496 22.996 1.00 0.00 N ATOM 898 CA GLY B 4 96.353 -18.465 24.127 1.00 0.00 C ATOM 899 C GLY B 4 95.624 -18.808 25.430 1.00 0.00 C ATOM 900 O GLY B 4 96.075 -19.617 26.217 1.00 0.00 O ATOM 0 H GLY B 4 95.166 -17.589 22.583 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.159 -19.177 23.949 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.810 -17.478 24.202 1.00 0.00 H new ATOM 904 N ILE B 5 94.493 -18.196 25.652 1.00 0.00 N ATOM 905 CA ILE B 5 93.715 -18.469 26.894 1.00 0.00 C ATOM 906 C ILE B 5 93.376 -19.961 26.976 1.00 0.00 C ATOM 907 O ILE B 5 93.424 -20.552 28.034 1.00 0.00 O ATOM 908 CB ILE B 5 92.432 -17.621 26.878 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.805 -16.149 27.118 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.470 -18.091 27.977 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.588 -15.224 26.919 1.00 0.00 C ATOM 0 H ILE B 5 94.072 -17.514 25.022 1.00 0.00 H new ATOM 0 HA ILE B 5 94.307 -18.204 27.770 1.00 0.00 H new ATOM 0 HB ILE B 5 91.940 -17.730 25.912 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.193 -16.030 28.129 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.602 -15.857 26.434 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.566 -17.482 27.954 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.208 -19.136 27.809 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.951 -17.990 28.950 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.884 -14.190 27.096 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.217 -15.326 25.899 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.802 -15.501 27.621 1.00 0.00 H new ATOM 923 N ASP B 6 93.030 -20.583 25.883 1.00 0.00 N ATOM 924 CA ASP B 6 92.694 -22.036 25.956 1.00 0.00 C ATOM 925 C ASP B 6 93.861 -22.798 26.591 1.00 0.00 C ATOM 926 O ASP B 6 93.669 -23.613 27.473 1.00 0.00 O ATOM 927 CB ASP B 6 92.430 -22.589 24.550 1.00 0.00 C ATOM 928 CG ASP B 6 91.153 -21.971 23.976 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.391 -21.407 24.744 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.956 -22.077 22.776 1.00 0.00 O ATOM 0 H ASP B 6 92.965 -20.159 24.957 1.00 0.00 H new ATOM 0 HA ASP B 6 91.797 -22.163 26.562 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.276 -22.368 23.899 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.333 -23.674 24.589 1.00 0.00 H new ATOM 935 N LYS B 7 95.069 -22.533 26.169 1.00 0.00 N ATOM 936 CA LYS B 7 96.235 -23.237 26.782 1.00 0.00 C ATOM 937 C LYS B 7 96.413 -22.751 28.214 1.00 0.00 C ATOM 938 O LYS B 7 96.638 -23.522 29.127 1.00 0.00 O ATOM 939 CB LYS B 7 97.497 -22.909 25.983 1.00 0.00 C ATOM 940 CG LYS B 7 97.350 -23.455 24.556 1.00 0.00 C ATOM 941 CD LYS B 7 98.641 -23.219 23.754 1.00 0.00 C ATOM 942 CE LYS B 7 99.634 -24.362 23.994 1.00 0.00 C ATOM 943 NZ LYS B 7 100.827 -24.150 23.138 1.00 0.00 N ATOM 0 H LYS B 7 95.299 -21.865 25.433 1.00 0.00 H new ATOM 0 HA LYS B 7 96.062 -24.313 26.774 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.655 -21.831 25.958 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.371 -23.348 26.465 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.125 -24.521 24.589 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.511 -22.968 24.058 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.409 -23.147 22.691 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.091 -22.270 24.047 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.925 -24.395 25.044 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.169 -25.320 23.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.507 -24.921 23.294 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.540 -24.138 22.139 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.272 -23.242 23.381 1.00 0.00 H new ATOM 957 N ALA B 8 96.305 -21.472 28.412 1.00 0.00 N ATOM 958 CA ALA B 8 96.459 -20.913 29.775 1.00 0.00 C ATOM 959 C ALA B 8 95.304 -21.385 30.654 1.00 0.00 C ATOM 960 O ALA B 8 95.462 -21.600 31.837 1.00 0.00 O ATOM 961 CB ALA B 8 96.467 -19.390 29.689 1.00 0.00 C ATOM 0 H ALA B 8 96.115 -20.786 27.682 1.00 0.00 H new ATOM 0 HA ALA B 8 97.396 -21.255 30.214 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.580 -18.970 30.688 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.298 -19.065 29.063 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.529 -19.045 29.254 1.00 0.00 H new ATOM 967 N GLN B 9 94.141 -21.540 30.086 1.00 0.00 N ATOM 968 CA GLN B 9 92.984 -21.988 30.897 1.00 0.00 C ATOM 969 C GLN B 9 93.316 -23.328 31.545 1.00 0.00 C ATOM 970 O GLN B 9 93.025 -23.556 32.703 1.00 0.00 O ATOM 971 CB GLN B 9 91.750 -22.139 30.004 1.00 0.00 C ATOM 972 CG GLN B 9 90.517 -22.365 30.881 1.00 0.00 C ATOM 973 CD GLN B 9 89.282 -22.572 29.994 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.346 -22.378 28.798 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.154 -22.964 30.531 1.00 0.00 N ATOM 0 H GLN B 9 93.945 -21.376 29.099 1.00 0.00 H new ATOM 0 HA GLN B 9 92.774 -21.249 31.670 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.617 -21.246 29.393 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.882 -22.977 29.319 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.668 -23.235 31.520 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.365 -21.509 31.539 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.097 -23.128 31.536 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.332 -23.106 29.944 1.00 0.00 H new ATOM 984 N GLU B 10 93.934 -24.218 30.814 1.00 0.00 N ATOM 985 CA GLU B 10 94.294 -25.531 31.410 1.00 0.00 C ATOM 986 C GLU B 10 95.249 -25.295 32.577 1.00 0.00 C ATOM 987 O GLU B 10 95.136 -25.897 33.621 1.00 0.00 O ATOM 988 CB GLU B 10 94.962 -26.408 30.356 1.00 0.00 C ATOM 989 CG GLU B 10 95.096 -27.825 30.903 1.00 0.00 C ATOM 990 CD GLU B 10 95.776 -28.709 29.857 1.00 0.00 C ATOM 991 OE1 GLU B 10 96.150 -28.183 28.823 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.905 -29.895 30.106 1.00 0.00 O ATOM 0 H GLU B 10 94.202 -24.091 29.838 1.00 0.00 H new ATOM 0 HA GLU B 10 93.397 -26.037 31.768 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.371 -26.412 29.440 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.943 -26.008 30.101 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.679 -27.818 31.824 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.113 -28.226 31.151 1.00 0.00 H new ATOM 999 N GLU B 11 96.188 -24.405 32.406 1.00 0.00 N ATOM 1000 CA GLU B 11 97.148 -24.105 33.503 1.00 0.00 C ATOM 1001 C GLU B 11 96.377 -23.599 34.718 1.00 0.00 C ATOM 1002 O GLU B 11 96.685 -23.939 35.843 1.00 0.00 O ATOM 1003 CB GLU B 11 98.143 -23.044 33.017 1.00 0.00 C ATOM 1004 CG GLU B 11 99.180 -22.736 34.104 1.00 0.00 C ATOM 1005 CD GLU B 11 98.602 -21.759 35.131 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.535 -21.223 34.883 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.242 -21.556 36.149 1.00 0.00 O ATOM 0 H GLU B 11 96.331 -23.871 31.549 1.00 0.00 H new ATOM 0 HA GLU B 11 97.697 -25.004 33.785 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.646 -23.396 32.116 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.609 -22.133 32.748 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.482 -23.659 34.600 1.00 0.00 H new ATOM 0 HG3 GLU B 11 100.075 -22.310 33.651 1.00 0.00 H new ATOM 1014 N HIS B 12 95.374 -22.788 34.510 1.00 0.00 N ATOM 1015 CA HIS B 12 94.594 -22.276 35.670 1.00 0.00 C ATOM 1016 C HIS B 12 93.883 -23.432 36.371 1.00 0.00 C ATOM 1017 O HIS B 12 93.847 -23.515 37.579 1.00 0.00 O ATOM 1018 CB HIS B 12 93.541 -21.267 35.203 1.00 0.00 C ATOM 1019 CG HIS B 12 92.835 -20.750 36.425 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.040 -19.456 36.932 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.008 -21.378 37.321 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.354 -19.363 38.095 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.730 -20.505 38.350 1.00 0.00 N ATOM 0 H HIS B 12 95.064 -22.461 33.595 1.00 0.00 H new ATOM 0 HA HIS B 12 95.286 -21.790 36.358 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.010 -20.449 34.657 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.833 -21.740 34.523 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.603 -18.721 36.503 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.637 -22.388 37.234 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.320 -18.486 38.724 1.00 0.00 H new ATOM 1031 N GLU B 13 93.297 -24.312 35.618 1.00 0.00 N ATOM 1032 CA GLU B 13 92.568 -25.452 36.231 1.00 0.00 C ATOM 1033 C GLU B 13 93.524 -26.340 37.035 1.00 0.00 C ATOM 1034 O GLU B 13 93.200 -26.804 38.108 1.00 0.00 O ATOM 1035 CB GLU B 13 91.940 -26.279 35.121 1.00 0.00 C ATOM 1036 CG GLU B 13 90.976 -27.288 35.738 1.00 0.00 C ATOM 1037 CD GLU B 13 90.444 -28.214 34.647 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.646 -27.902 33.487 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.857 -29.224 34.992 1.00 0.00 O ATOM 0 H GLU B 13 93.291 -24.292 34.598 1.00 0.00 H new ATOM 0 HA GLU B 13 91.804 -25.064 36.905 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.411 -25.631 34.422 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.713 -26.796 34.553 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.484 -27.869 36.508 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.150 -26.768 36.224 1.00 0.00 H new ATOM 1046 N LYS B 14 94.685 -26.600 36.500 1.00 0.00 N ATOM 1047 CA LYS B 14 95.667 -27.479 37.198 1.00 0.00 C ATOM 1048 C LYS B 14 96.108 -26.898 38.548 1.00 0.00 C ATOM 1049 O LYS B 14 96.392 -27.640 39.468 1.00 0.00 O ATOM 1050 CB LYS B 14 96.900 -27.662 36.312 1.00 0.00 C ATOM 1051 CG LYS B 14 96.522 -28.448 35.051 1.00 0.00 C ATOM 1052 CD LYS B 14 97.718 -28.506 34.088 1.00 0.00 C ATOM 1053 CE LYS B 14 98.751 -29.519 34.595 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.774 -29.764 33.541 1.00 0.00 N ATOM 0 H LYS B 14 94.999 -26.237 35.600 1.00 0.00 H new ATOM 0 HA LYS B 14 95.177 -28.434 37.387 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.309 -26.690 36.037 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.679 -28.191 36.862 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.213 -29.458 35.321 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.672 -27.975 34.559 1.00 0.00 H new ATOM 0 HD2 LYS B 14 97.379 -28.788 33.091 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.175 -27.520 34.003 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.230 -29.143 35.499 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.258 -30.454 34.861 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.473 -30.451 33.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.311 -30.141 32.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.253 -28.871 33.308 1.00 0.00 H new ATOM 1068 N TYR B 15 96.226 -25.594 38.675 1.00 0.00 N ATOM 1069 CA TYR B 15 96.724 -25.015 39.977 1.00 0.00 C ATOM 1070 C TYR B 15 95.893 -23.811 40.448 1.00 0.00 C ATOM 1071 O TYR B 15 96.165 -23.259 41.495 1.00 0.00 O ATOM 1072 CB TYR B 15 98.167 -24.537 39.771 1.00 0.00 C ATOM 1073 CG TYR B 15 98.957 -25.609 39.053 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.563 -26.638 39.791 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.077 -25.587 37.650 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.286 -27.638 39.134 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.803 -26.596 36.999 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.404 -27.619 37.743 1.00 0.00 C ATOM 1079 OH TYR B 15 101.113 -28.610 37.098 1.00 0.00 O ATOM 0 H TYR B 15 96.004 -24.912 37.949 1.00 0.00 H new ATOM 0 HA TYR B 15 96.647 -25.795 40.734 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.176 -23.614 39.191 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.628 -24.314 40.733 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.471 -26.657 40.867 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.613 -24.797 37.078 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.754 -28.427 39.704 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.898 -26.584 35.923 1.00 0.00 H new ATOM 0 HH TYR B 15 101.056 -29.441 37.614 1.00 0.00 H new ATOM 1089 N HIS B 16 94.935 -23.359 39.686 1.00 0.00 N ATOM 1090 CA HIS B 16 94.168 -22.151 40.108 1.00 0.00 C ATOM 1091 C HIS B 16 95.185 -21.039 40.381 1.00 0.00 C ATOM 1092 O HIS B 16 95.115 -20.336 41.369 1.00 0.00 O ATOM 1093 CB HIS B 16 93.329 -22.418 41.373 1.00 0.00 C ATOM 1094 CG HIS B 16 92.147 -23.308 41.054 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.961 -22.837 40.497 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.923 -24.656 41.252 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.091 -23.845 40.379 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.629 -24.986 40.825 1.00 0.00 N ATOM 0 H HIS B 16 94.651 -23.769 38.796 1.00 0.00 H new ATOM 0 HA HIS B 16 93.470 -21.868 39.320 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.950 -22.889 42.134 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.978 -21.473 41.788 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.636 -25.350 41.672 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.092 -23.751 39.979 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.189 -25.906 40.849 1.00 0.00 H new ATOM 1106 N SER B 17 96.153 -20.898 39.511 1.00 0.00 N ATOM 1107 CA SER B 17 97.200 -19.858 39.714 1.00 0.00 C ATOM 1108 C SER B 17 96.589 -18.456 39.626 1.00 0.00 C ATOM 1109 O SER B 17 95.556 -18.254 39.012 1.00 0.00 O ATOM 1110 CB SER B 17 98.279 -20.006 38.638 1.00 0.00 C ATOM 1111 OG SER B 17 97.713 -19.718 37.369 1.00 0.00 O ATOM 0 H SER B 17 96.261 -21.461 38.667 1.00 0.00 H new ATOM 0 HA SER B 17 97.638 -19.991 40.703 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.109 -19.329 38.842 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.684 -21.018 38.648 1.00 0.00 H new ATOM 0 HG SER B 17 98.343 -19.976 36.664 1.00 0.00 H new ATOM 1117 N ASN B 18 97.227 -17.481 40.223 1.00 0.00 N ATOM 1118 CA ASN B 18 96.697 -16.086 40.163 1.00 0.00 C ATOM 1119 C ASN B 18 96.935 -15.510 38.771 1.00 0.00 C ATOM 1120 O ASN B 18 97.780 -15.966 38.026 1.00 0.00 O ATOM 1121 CB ASN B 18 97.404 -15.203 41.197 1.00 0.00 C ATOM 1122 CG ASN B 18 97.090 -15.712 42.599 1.00 0.00 C ATOM 1123 OD1 ASN B 18 97.982 -15.920 43.398 1.00 0.00 O ATOM 1124 ND2 ASN B 18 95.847 -15.914 42.933 1.00 0.00 N ATOM 0 H ASN B 18 98.093 -17.592 40.750 1.00 0.00 H new ATOM 0 HA ASN B 18 95.629 -16.108 40.380 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.481 -15.216 41.027 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.077 -14.169 41.092 1.00 0.00 H new ATOM 0 HD21 ASN B 18 95.618 -16.248 43.869 1.00 0.00 H new ATOM 0 HD22 ASN B 18 95.103 -15.738 42.258 1.00 0.00 H new ATOM 1131 N TRP B 19 96.198 -14.504 38.413 1.00 0.00 N ATOM 1132 CA TRP B 19 96.382 -13.901 37.067 1.00 0.00 C ATOM 1133 C TRP B 19 97.825 -13.422 36.901 1.00 0.00 C ATOM 1134 O TRP B 19 98.348 -13.370 35.808 1.00 0.00 O ATOM 1135 CB TRP B 19 95.414 -12.738 36.875 1.00 0.00 C ATOM 1136 CG TRP B 19 95.810 -11.589 37.721 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.279 -11.304 38.924 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.802 -10.564 37.445 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.872 -10.157 39.408 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.821 -9.665 38.531 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.677 -10.325 36.368 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.675 -8.566 38.552 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.540 -9.217 36.385 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.537 -8.338 37.475 1.00 0.00 C ATOM 0 H TRP B 19 95.477 -14.072 38.991 1.00 0.00 H new ATOM 0 HA TRP B 19 96.173 -14.657 36.310 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.400 -12.438 35.827 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.402 -13.053 37.130 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.515 -11.878 39.427 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.639 -9.725 40.302 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.685 -10.998 35.523 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.672 -7.893 39.396 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.208 -9.042 35.555 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.200 -7.485 37.484 1.00 0.00 H new ATOM 1155 N ARG B 20 98.474 -13.066 37.975 1.00 0.00 N ATOM 1156 CA ARG B 20 99.882 -12.599 37.857 1.00 0.00 C ATOM 1157 C ARG B 20 100.754 -13.737 37.344 1.00 0.00 C ATOM 1158 O ARG B 20 101.639 -13.538 36.539 1.00 0.00 O ATOM 1159 CB ARG B 20 100.402 -12.150 39.220 1.00 0.00 C ATOM 1160 CG ARG B 20 99.586 -10.954 39.725 1.00 0.00 C ATOM 1161 CD ARG B 20 100.113 -10.506 41.095 1.00 0.00 C ATOM 1162 NE ARG B 20 99.235 -9.426 41.648 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.302 -9.103 42.918 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.169 -9.689 43.694 1.00 0.00 N ATOM 1165 NH2 ARG B 20 98.516 -8.178 43.407 1.00 0.00 N ATOM 0 H ARG B 20 98.094 -13.078 38.921 1.00 0.00 H new ATOM 0 HA ARG B 20 99.918 -11.760 37.162 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.336 -12.972 39.932 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.455 -11.877 39.145 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.651 -10.131 39.013 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.533 -11.227 39.801 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.138 -11.353 41.780 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.136 -10.143 41.000 1.00 0.00 H new ATOM 0 HE ARG B 20 98.582 -8.939 41.034 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.796 -10.399 43.314 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.221 -9.438 44.681 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.847 -7.704 42.800 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.572 -7.931 44.395 1.00 0.00 H new ATOM 1179 N ALA B 21 100.516 -14.928 37.807 1.00 0.00 N ATOM 1180 CA ALA B 21 101.332 -16.080 37.342 1.00 0.00 C ATOM 1181 C ALA B 21 100.994 -16.375 35.880 1.00 0.00 C ATOM 1182 O ALA B 21 101.865 -16.505 35.047 1.00 0.00 O ATOM 1183 CB ALA B 21 101.010 -17.289 38.222 1.00 0.00 C ATOM 0 H ALA B 21 99.791 -15.155 38.488 1.00 0.00 H new ATOM 0 HA ALA B 21 102.396 -15.854 37.416 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.600 -18.145 37.895 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.250 -17.058 39.260 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.950 -17.527 38.139 1.00 0.00 H new ATOM 1189 N MET B 22 99.730 -16.484 35.566 1.00 0.00 N ATOM 1190 CA MET B 22 99.338 -16.763 34.154 1.00 0.00 C ATOM 1191 C MET B 22 99.838 -15.645 33.254 1.00 0.00 C ATOM 1192 O MET B 22 100.292 -15.878 32.152 1.00 0.00 O ATOM 1193 CB MET B 22 97.822 -16.852 34.046 1.00 0.00 C ATOM 1194 CG MET B 22 97.338 -18.095 34.780 1.00 0.00 C ATOM 1195 SD MET B 22 95.575 -18.341 34.465 1.00 0.00 S ATOM 1196 CE MET B 22 94.958 -16.958 35.457 1.00 0.00 C ATOM 0 H MET B 22 98.955 -16.392 36.223 1.00 0.00 H new ATOM 0 HA MET B 22 99.781 -17.710 33.844 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.362 -15.961 34.474 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.522 -16.894 32.999 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.902 -18.967 34.449 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.515 -17.989 35.850 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.903 -17.113 35.681 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.522 -16.898 36.388 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.077 -16.029 34.900 1.00 0.00 H new ATOM 1206 N ALA B 23 99.747 -14.425 33.705 1.00 0.00 N ATOM 1207 CA ALA B 23 100.222 -13.304 32.852 1.00 0.00 C ATOM 1208 C ALA B 23 101.706 -13.522 32.532 1.00 0.00 C ATOM 1209 O ALA B 23 102.123 -13.419 31.397 1.00 0.00 O ATOM 1210 CB ALA B 23 100.024 -11.966 33.582 1.00 0.00 C ATOM 0 H ALA B 23 99.370 -14.159 34.615 1.00 0.00 H new ATOM 0 HA ALA B 23 99.649 -13.276 31.925 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.375 -11.151 32.949 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.966 -11.825 33.802 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.591 -11.972 34.513 1.00 0.00 H new ATOM 1216 N SER B 24 102.505 -13.840 33.520 1.00 0.00 N ATOM 1217 CA SER B 24 103.960 -14.073 33.266 1.00 0.00 C ATOM 1218 C SER B 24 104.154 -15.360 32.456 1.00 0.00 C ATOM 1219 O SER B 24 105.020 -15.441 31.609 1.00 0.00 O ATOM 1220 CB SER B 24 104.702 -14.200 34.599 1.00 0.00 C ATOM 1221 OG SER B 24 106.100 -14.292 34.355 1.00 0.00 O ATOM 0 H SER B 24 102.213 -13.948 34.491 1.00 0.00 H new ATOM 0 HA SER B 24 104.358 -13.229 32.702 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.488 -13.338 35.230 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.357 -15.083 35.137 1.00 0.00 H new ATOM 0 HG SER B 24 106.576 -14.372 35.208 1.00 0.00 H new ATOM 1227 N ASP B 25 103.369 -16.369 32.717 1.00 0.00 N ATOM 1228 CA ASP B 25 103.524 -17.651 31.963 1.00 0.00 C ATOM 1229 C ASP B 25 103.310 -17.420 30.460 1.00 0.00 C ATOM 1230 O ASP B 25 104.013 -17.981 29.643 1.00 0.00 O ATOM 1231 CB ASP B 25 102.512 -18.673 32.483 1.00 0.00 C ATOM 1232 CG ASP B 25 102.817 -20.053 31.891 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.673 -20.130 31.027 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.193 -21.007 32.322 1.00 0.00 O ATOM 0 H ASP B 25 102.628 -16.364 33.418 1.00 0.00 H new ATOM 0 HA ASP B 25 104.535 -18.030 32.113 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.552 -18.717 33.571 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.501 -18.367 32.214 1.00 0.00 H new ATOM 1239 N PHE B 26 102.350 -16.608 30.083 1.00 0.00 N ATOM 1240 CA PHE B 26 102.096 -16.345 28.623 1.00 0.00 C ATOM 1241 C PHE B 26 102.501 -14.915 28.272 1.00 0.00 C ATOM 1242 O PHE B 26 102.442 -14.501 27.130 1.00 0.00 O ATOM 1243 CB PHE B 26 100.612 -16.561 28.334 1.00 0.00 C ATOM 1244 CG PHE B 26 100.287 -18.016 28.572 1.00 0.00 C ATOM 1245 CD1 PHE B 26 99.895 -18.447 29.846 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.390 -18.933 27.521 1.00 0.00 C ATOM 1247 CE1 PHE B 26 99.607 -19.797 30.072 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.099 -20.285 27.742 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.707 -20.718 29.018 1.00 0.00 C ATOM 0 H PHE B 26 101.728 -16.113 30.723 1.00 0.00 H new ATOM 0 HA PHE B 26 102.689 -17.029 28.016 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.004 -15.926 28.978 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.382 -16.284 27.305 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.815 -17.736 30.655 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.694 -18.599 26.540 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.308 -20.130 31.055 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.176 -20.994 26.931 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.482 -21.760 29.189 1.00 0.00 H new ATOM 1259 N ASN B 27 102.924 -14.166 29.254 1.00 0.00 N ATOM 1260 CA ASN B 27 103.360 -12.757 29.010 1.00 0.00 C ATOM 1261 C ASN B 27 102.228 -11.955 28.365 1.00 0.00 C ATOM 1262 O ASN B 27 102.420 -11.310 27.351 1.00 0.00 O ATOM 1263 CB ASN B 27 104.569 -12.754 28.079 1.00 0.00 C ATOM 1264 CG ASN B 27 105.241 -11.377 28.116 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.627 -10.903 29.166 1.00 0.00 O ATOM 1266 ND2 ASN B 27 105.399 -10.710 27.003 1.00 0.00 N ATOM 0 H ASN B 27 102.987 -14.471 30.225 1.00 0.00 H new ATOM 0 HA ASN B 27 103.623 -12.300 29.964 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.278 -13.524 28.384 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.258 -12.991 27.062 1.00 0.00 H new ATOM 0 HD21 ASN B 27 105.846 -9.793 27.017 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.076 -11.106 26.121 1.00 0.00 H new ATOM 1273 N LEU B 28 101.048 -12.000 28.930 1.00 0.00 N ATOM 1274 CA LEU B 28 99.887 -11.252 28.343 1.00 0.00 C ATOM 1275 C LEU B 28 99.400 -10.184 29.321 1.00 0.00 C ATOM 1276 O LEU B 28 99.504 -10.357 30.519 1.00 0.00 O ATOM 1277 CB LEU B 28 98.743 -12.240 28.101 1.00 0.00 C ATOM 1278 CG LEU B 28 99.184 -13.304 27.087 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.153 -14.439 27.045 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.314 -12.680 25.685 1.00 0.00 C ATOM 0 H LEU B 28 100.835 -12.525 29.778 1.00 0.00 H new ATOM 0 HA LEU B 28 100.199 -10.778 27.412 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.455 -12.715 29.039 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.865 -11.711 27.729 1.00 0.00 H new ATOM 0 HG LEU B 28 100.152 -13.701 27.393 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.470 -15.192 26.324 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.072 -14.894 28.032 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.183 -14.039 26.749 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.627 -13.445 24.974 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.351 -12.272 25.378 1.00 0.00 H new ATOM 0 HD23 LEU B 28 100.056 -11.881 25.709 1.00 0.00 H new ATOM 1292 N PRO B 29 98.833 -9.098 28.833 1.00 0.00 N ATOM 1293 CA PRO B 29 98.295 -8.033 29.717 1.00 0.00 C ATOM 1294 C PRO B 29 97.462 -8.641 30.852 1.00 0.00 C ATOM 1295 O PRO B 29 96.951 -9.737 30.725 1.00 0.00 O ATOM 1296 CB PRO B 29 97.399 -7.205 28.783 1.00 0.00 C ATOM 1297 CG PRO B 29 97.983 -7.381 27.418 1.00 0.00 C ATOM 1298 CD PRO B 29 98.660 -8.758 27.403 1.00 0.00 C ATOM 0 HA PRO B 29 99.079 -7.443 30.192 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.367 -7.554 28.817 1.00 0.00 H new ATOM 0 HB3 PRO B 29 97.391 -6.155 29.075 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.207 -7.323 26.655 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.704 -6.593 27.201 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.045 -9.498 26.890 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.618 -8.724 26.884 1.00 0.00 H new ATOM 1306 N PRO B 30 97.308 -7.941 31.943 1.00 0.00 N ATOM 1307 CA PRO B 30 96.503 -8.444 33.084 1.00 0.00 C ATOM 1308 C PRO B 30 95.075 -8.753 32.648 1.00 0.00 C ATOM 1309 O PRO B 30 94.416 -9.601 33.201 1.00 0.00 O ATOM 1310 CB PRO B 30 96.522 -7.293 34.113 1.00 0.00 C ATOM 1311 CG PRO B 30 97.014 -6.086 33.368 1.00 0.00 C ATOM 1312 CD PRO B 30 97.869 -6.609 32.213 1.00 0.00 C ATOM 0 HA PRO B 30 96.905 -9.371 33.492 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.528 -7.120 34.524 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.177 -7.529 34.951 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.179 -5.493 32.995 1.00 0.00 H new ATOM 0 HG3 PRO B 30 97.598 -5.438 34.021 1.00 0.00 H new ATOM 0 HD2 PRO B 30 97.802 -5.961 31.339 1.00 0.00 H new ATOM 0 HD3 PRO B 30 98.922 -6.666 32.488 1.00 0.00 H new ATOM 1320 N VAL B 31 94.593 -8.044 31.669 1.00 0.00 N ATOM 1321 CA VAL B 31 93.200 -8.258 31.212 1.00 0.00 C ATOM 1322 C VAL B 31 92.998 -9.713 30.808 1.00 0.00 C ATOM 1323 O VAL B 31 92.030 -10.342 31.192 1.00 0.00 O ATOM 1324 CB VAL B 31 92.924 -7.351 30.005 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.470 -7.506 29.536 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.179 -5.889 30.394 1.00 0.00 C ATOM 0 H VAL B 31 95.109 -7.323 31.165 1.00 0.00 H new ATOM 0 HA VAL B 31 92.514 -8.018 32.024 1.00 0.00 H new ATOM 0 HB VAL B 31 93.589 -7.640 29.192 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.293 -6.855 28.680 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.289 -8.542 29.249 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.795 -7.231 30.346 1.00 0.00 H new ATOM 0 HG21 VAL B 31 92.983 -5.245 29.537 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.519 -5.611 31.216 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.217 -5.771 30.706 1.00 0.00 H new ATOM 1336 N VAL B 32 93.866 -10.250 30.017 1.00 0.00 N ATOM 1337 CA VAL B 32 93.666 -11.654 29.595 1.00 0.00 C ATOM 1338 C VAL B 32 93.804 -12.572 30.804 1.00 0.00 C ATOM 1339 O VAL B 32 92.962 -13.410 31.063 1.00 0.00 O ATOM 1340 CB VAL B 32 94.703 -12.029 28.537 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.518 -13.494 28.128 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.523 -11.138 27.308 1.00 0.00 C ATOM 0 H VAL B 32 94.696 -9.788 29.646 1.00 0.00 H new ATOM 0 HA VAL B 32 92.669 -11.766 29.169 1.00 0.00 H new ATOM 0 HB VAL B 32 95.702 -11.890 28.950 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.259 -13.758 27.374 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.645 -14.134 29.001 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.518 -13.634 27.718 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.263 -11.405 26.553 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.522 -11.278 26.901 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.656 -10.094 27.593 1.00 0.00 H new ATOM 1352 N ALA B 33 94.858 -12.415 31.546 1.00 0.00 N ATOM 1353 CA ALA B 33 95.060 -13.269 32.744 1.00 0.00 C ATOM 1354 C ALA B 33 93.965 -12.980 33.776 1.00 0.00 C ATOM 1355 O ALA B 33 93.424 -13.879 34.387 1.00 0.00 O ATOM 1356 CB ALA B 33 96.435 -12.972 33.339 1.00 0.00 C ATOM 0 H ALA B 33 95.593 -11.729 31.374 1.00 0.00 H new ATOM 0 HA ALA B 33 95.006 -14.321 32.463 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.593 -13.595 34.220 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.206 -13.188 32.599 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.489 -11.921 33.623 1.00 0.00 H new ATOM 1362 N LYS B 34 93.627 -11.733 33.977 1.00 0.00 N ATOM 1363 CA LYS B 34 92.553 -11.402 34.965 1.00 0.00 C ATOM 1364 C LYS B 34 91.230 -12.028 34.530 1.00 0.00 C ATOM 1365 O LYS B 34 90.454 -12.488 35.340 1.00 0.00 O ATOM 1366 CB LYS B 34 92.381 -9.884 35.055 1.00 0.00 C ATOM 1367 CG LYS B 34 93.593 -9.247 35.767 1.00 0.00 C ATOM 1368 CD LYS B 34 93.377 -9.223 37.294 1.00 0.00 C ATOM 1369 CE LYS B 34 92.542 -7.999 37.699 1.00 0.00 C ATOM 1370 NZ LYS B 34 91.915 -8.256 39.025 1.00 0.00 N ATOM 0 H LYS B 34 94.045 -10.932 33.503 1.00 0.00 H new ATOM 0 HA LYS B 34 92.840 -11.798 35.939 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.276 -9.463 34.055 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.466 -9.647 35.598 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.496 -9.809 35.531 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.745 -8.232 35.400 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.872 -10.136 37.610 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.340 -9.198 37.803 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.173 -7.112 37.747 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.774 -7.803 36.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 91.347 -7.431 39.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.301 -9.093 38.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.658 -8.423 39.734 1.00 0.00 H new ATOM 1384 N GLU B 35 90.949 -12.021 33.253 1.00 0.00 N ATOM 1385 CA GLU B 35 89.656 -12.594 32.779 1.00 0.00 C ATOM 1386 C GLU B 35 89.561 -14.086 33.138 1.00 0.00 C ATOM 1387 O GLU B 35 88.514 -14.566 33.529 1.00 0.00 O ATOM 1388 CB GLU B 35 89.557 -12.430 31.258 1.00 0.00 C ATOM 1389 CG GLU B 35 88.111 -12.674 30.806 1.00 0.00 C ATOM 1390 CD GLU B 35 87.795 -14.172 30.895 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.725 -14.959 30.822 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.634 -14.504 31.049 1.00 0.00 O ATOM 0 H GLU B 35 91.555 -11.646 32.523 1.00 0.00 H new ATOM 0 HA GLU B 35 88.837 -12.064 33.266 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.875 -11.428 30.969 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.227 -13.132 30.762 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.422 -12.108 31.433 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.974 -12.322 29.783 1.00 0.00 H new ATOM 1399 N ILE B 36 90.634 -14.830 33.013 1.00 0.00 N ATOM 1400 CA ILE B 36 90.559 -16.284 33.350 1.00 0.00 C ATOM 1401 C ILE B 36 90.160 -16.420 34.815 1.00 0.00 C ATOM 1402 O ILE B 36 89.350 -17.249 35.179 1.00 0.00 O ATOM 1403 CB ILE B 36 91.926 -16.954 33.128 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.344 -16.772 31.662 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.826 -18.458 33.442 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.654 -17.518 31.395 1.00 0.00 C ATOM 0 H ILE B 36 91.545 -14.498 32.697 1.00 0.00 H new ATOM 0 HA ILE B 36 89.824 -16.770 32.708 1.00 0.00 H new ATOM 0 HB ILE B 36 92.665 -16.496 33.786 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.561 -17.147 31.003 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.467 -15.712 31.439 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.797 -18.928 33.283 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.523 -18.594 34.480 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.088 -18.919 32.785 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.943 -17.384 30.353 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.436 -17.122 32.043 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.516 -18.580 31.599 1.00 0.00 H new ATOM 1418 N VAL B 37 90.706 -15.599 35.658 1.00 0.00 N ATOM 1419 CA VAL B 37 90.338 -15.675 37.092 1.00 0.00 C ATOM 1420 C VAL B 37 88.876 -15.272 37.250 1.00 0.00 C ATOM 1421 O VAL B 37 88.139 -15.837 38.035 1.00 0.00 O ATOM 1422 CB VAL B 37 91.224 -14.732 37.901 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.836 -14.809 39.383 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.686 -15.152 37.734 1.00 0.00 C ATOM 0 H VAL B 37 91.389 -14.881 35.418 1.00 0.00 H new ATOM 0 HA VAL B 37 90.480 -16.693 37.456 1.00 0.00 H new ATOM 0 HB VAL B 37 91.092 -13.710 37.546 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.469 -14.135 39.960 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.793 -14.517 39.502 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.970 -15.830 39.742 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.325 -14.482 38.310 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.814 -16.173 38.093 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.961 -15.100 36.681 1.00 0.00 H new ATOM 1434 N ALA B 38 88.457 -14.285 36.512 1.00 0.00 N ATOM 1435 CA ALA B 38 87.048 -13.819 36.614 1.00 0.00 C ATOM 1436 C ALA B 38 86.084 -14.943 36.246 1.00 0.00 C ATOM 1437 O ALA B 38 84.989 -15.030 36.768 1.00 0.00 O ATOM 1438 CB ALA B 38 86.832 -12.652 35.658 1.00 0.00 C ATOM 0 H ALA B 38 89.032 -13.778 35.839 1.00 0.00 H new ATOM 0 HA ALA B 38 86.858 -13.508 37.641 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.800 -12.308 35.731 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.505 -11.836 35.921 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.036 -12.975 34.637 1.00 0.00 H new ATOM 1444 N SER B 39 86.470 -15.793 35.334 1.00 0.00 N ATOM 1445 CA SER B 39 85.565 -16.899 34.915 1.00 0.00 C ATOM 1446 C SER B 39 85.620 -18.037 35.945 1.00 0.00 C ATOM 1447 O SER B 39 84.698 -18.820 36.068 1.00 0.00 O ATOM 1448 CB SER B 39 86.009 -17.416 33.543 1.00 0.00 C ATOM 1449 OG SER B 39 86.060 -16.334 32.620 1.00 0.00 O ATOM 0 H SER B 39 87.373 -15.769 34.861 1.00 0.00 H new ATOM 0 HA SER B 39 84.541 -16.531 34.853 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.988 -17.888 33.620 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.315 -18.178 33.188 1.00 0.00 H new ATOM 0 HG SER B 39 86.869 -15.805 32.780 1.00 0.00 H new ATOM 1455 N CYS B 40 86.684 -18.126 36.695 1.00 0.00 N ATOM 1456 CA CYS B 40 86.787 -19.204 37.720 1.00 0.00 C ATOM 1457 C CYS B 40 85.991 -18.789 38.960 1.00 0.00 C ATOM 1458 O CYS B 40 86.445 -18.005 39.769 1.00 0.00 O ATOM 1459 CB CYS B 40 88.256 -19.406 38.093 1.00 0.00 C ATOM 1460 SG CYS B 40 88.379 -20.700 39.355 1.00 0.00 S ATOM 0 H CYS B 40 87.487 -17.499 36.643 1.00 0.00 H new ATOM 0 HA CYS B 40 86.385 -20.136 37.324 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.832 -19.686 37.211 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.680 -18.474 38.468 1.00 0.00 H new ATOM 1465 N ASP B 41 84.800 -19.303 39.102 1.00 0.00 N ATOM 1466 CA ASP B 41 83.964 -18.937 40.275 1.00 0.00 C ATOM 1467 C ASP B 41 84.676 -19.334 41.575 1.00 0.00 C ATOM 1468 O ASP B 41 84.485 -18.726 42.604 1.00 0.00 O ATOM 1469 CB ASP B 41 82.622 -19.673 40.185 1.00 0.00 C ATOM 1470 CG ASP B 41 81.829 -19.147 38.985 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.221 -18.127 38.441 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.843 -19.772 38.629 1.00 0.00 O ATOM 0 H ASP B 41 84.371 -19.962 38.453 1.00 0.00 H new ATOM 0 HA ASP B 41 83.799 -17.860 40.276 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.790 -20.745 40.082 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.053 -19.526 41.103 1.00 0.00 H new ATOM 1477 N LYS B 42 85.473 -20.362 41.547 1.00 0.00 N ATOM 1478 CA LYS B 42 86.154 -20.813 42.799 1.00 0.00 C ATOM 1479 C LYS B 42 87.214 -19.804 43.250 1.00 0.00 C ATOM 1480 O LYS B 42 87.497 -19.680 44.424 1.00 0.00 O ATOM 1481 CB LYS B 42 86.831 -22.150 42.521 1.00 0.00 C ATOM 1482 CG LYS B 42 85.764 -23.158 42.104 1.00 0.00 C ATOM 1483 CD LYS B 42 86.375 -24.555 42.043 1.00 0.00 C ATOM 1484 CE LYS B 42 85.375 -25.535 41.419 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.096 -25.534 42.198 1.00 0.00 N ATOM 0 H LYS B 42 85.685 -20.912 40.715 1.00 0.00 H new ATOM 0 HA LYS B 42 85.411 -20.904 43.591 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.576 -22.040 41.733 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.356 -22.500 43.410 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.937 -23.142 42.814 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.354 -22.887 41.131 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.293 -24.535 41.455 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.646 -24.887 43.045 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.179 -25.256 40.384 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.799 -26.539 41.404 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.536 -26.374 41.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.309 -25.552 43.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.553 -24.676 41.973 1.00 0.00 H new ATOM 1499 N CYS B 43 87.824 -19.113 42.328 1.00 0.00 N ATOM 1500 CA CYS B 43 88.896 -18.129 42.693 1.00 0.00 C ATOM 1501 C CYS B 43 88.338 -16.707 42.939 1.00 0.00 C ATOM 1502 O CYS B 43 88.540 -16.129 43.989 1.00 0.00 O ATOM 1503 CB CYS B 43 89.919 -18.088 41.556 1.00 0.00 C ATOM 1504 SG CYS B 43 91.052 -19.501 41.689 1.00 0.00 S ATOM 0 H CYS B 43 87.629 -19.184 41.329 1.00 0.00 H new ATOM 0 HA CYS B 43 89.355 -18.456 43.626 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.407 -18.111 40.594 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.482 -17.155 41.595 1.00 0.00 H new ATOM 1509 N GLN B 44 87.698 -16.110 41.964 1.00 0.00 N ATOM 1510 CA GLN B 44 87.209 -14.701 42.149 1.00 0.00 C ATOM 1511 C GLN B 44 86.051 -14.602 43.151 1.00 0.00 C ATOM 1512 O GLN B 44 85.980 -13.667 43.922 1.00 0.00 O ATOM 1513 CB GLN B 44 86.746 -14.124 40.811 1.00 0.00 C ATOM 1514 CG GLN B 44 86.542 -12.613 40.965 1.00 0.00 C ATOM 1515 CD GLN B 44 86.158 -11.999 39.613 1.00 0.00 C ATOM 1516 OE1 GLN B 44 85.162 -12.369 39.025 1.00 0.00 O ATOM 1517 NE2 GLN B 44 86.921 -11.078 39.085 1.00 0.00 N ATOM 0 H GLN B 44 87.493 -16.528 41.057 1.00 0.00 H new ATOM 0 HA GLN B 44 88.050 -14.132 42.546 1.00 0.00 H new ATOM 0 HB2 GLN B 44 87.486 -14.327 40.037 1.00 0.00 H new ATOM 0 HB3 GLN B 44 85.817 -14.600 40.497 1.00 0.00 H new ATOM 0 HG2 GLN B 44 85.761 -12.415 41.699 1.00 0.00 H new ATOM 0 HG3 GLN B 44 87.455 -12.150 41.339 1.00 0.00 H new ATOM 0 HE21 GLN B 44 87.758 -10.766 39.577 1.00 0.00 H new ATOM 0 HE22 GLN B 44 86.679 -10.672 38.181 1.00 0.00 H new ATOM 1526 N LEU B 45 85.127 -15.522 43.144 1.00 0.00 N ATOM 1527 CA LEU B 45 83.979 -15.408 44.102 1.00 0.00 C ATOM 1528 C LEU B 45 84.402 -15.905 45.477 1.00 0.00 C ATOM 1529 O LEU B 45 83.588 -16.106 46.356 1.00 0.00 O ATOM 1530 CB LEU B 45 82.778 -16.218 43.608 1.00 0.00 C ATOM 1531 CG LEU B 45 82.387 -15.771 42.190 1.00 0.00 C ATOM 1532 CD1 LEU B 45 81.132 -16.535 41.735 1.00 0.00 C ATOM 1533 CD2 LEU B 45 82.104 -14.259 42.182 1.00 0.00 C ATOM 0 H LEU B 45 85.111 -16.336 42.530 1.00 0.00 H new ATOM 0 HA LEU B 45 83.688 -14.360 44.168 1.00 0.00 H new ATOM 0 HB2 LEU B 45 83.021 -17.281 43.609 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.935 -16.083 44.286 1.00 0.00 H new ATOM 0 HG LEU B 45 83.208 -15.986 41.506 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.857 -16.216 40.730 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.338 -17.605 41.733 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.310 -16.325 42.420 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.827 -13.946 41.175 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.286 -14.038 42.868 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.998 -13.720 42.497 1.00 0.00 H new ATOM 1545 N LYS B 46 85.671 -16.085 45.671 1.00 0.00 N ATOM 1546 CA LYS B 46 86.171 -16.554 46.994 1.00 0.00 C ATOM 1547 C LYS B 46 86.325 -15.341 47.910 1.00 0.00 C ATOM 1548 O LYS B 46 86.972 -14.371 47.575 1.00 0.00 O ATOM 1549 CB LYS B 46 87.533 -17.238 46.809 1.00 0.00 C ATOM 1550 CG LYS B 46 87.993 -17.878 48.124 1.00 0.00 C ATOM 1551 CD LYS B 46 89.371 -18.523 47.930 1.00 0.00 C ATOM 1552 CE LYS B 46 89.732 -19.331 49.177 1.00 0.00 C ATOM 1553 NZ LYS B 46 91.087 -19.932 49.012 1.00 0.00 N ATOM 0 H LYS B 46 86.393 -15.928 44.968 1.00 0.00 H new ATOM 0 HA LYS B 46 85.471 -17.265 47.433 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.462 -17.999 46.032 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.271 -16.509 46.475 1.00 0.00 H new ATOM 0 HG2 LYS B 46 88.041 -17.124 48.910 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.271 -18.629 48.446 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.362 -19.171 47.053 1.00 0.00 H new ATOM 0 HD3 LYS B 46 90.123 -17.754 47.751 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.714 -18.688 50.057 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.993 -20.116 49.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.329 -20.481 49.862 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 91.090 -20.559 48.182 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.788 -19.176 48.877 1.00 0.00 H new ATOM 1567 N GLY B 47 85.724 -15.389 49.064 1.00 0.00 N ATOM 1568 CA GLY B 47 85.825 -14.240 50.002 1.00 0.00 C ATOM 1569 C GLY B 47 84.679 -14.303 51.005 1.00 0.00 C ATOM 1570 O GLY B 47 84.042 -15.326 51.170 1.00 0.00 O ATOM 0 H GLY B 47 85.167 -16.175 49.398 1.00 0.00 H new ATOM 0 HA2 GLY B 47 86.782 -14.265 50.524 1.00 0.00 H new ATOM 0 HA3 GLY B 47 85.788 -13.301 49.450 1.00 0.00 H new ATOM 1574 N GLU B 48 84.401 -13.218 51.673 1.00 0.00 N ATOM 1575 CA GLU B 48 83.285 -13.227 52.660 1.00 0.00 C ATOM 1576 C GLU B 48 81.990 -12.844 51.964 1.00 0.00 C ATOM 1577 O GLU B 48 81.902 -11.838 51.286 1.00 0.00 O ATOM 1578 CB GLU B 48 83.550 -12.219 53.776 1.00 0.00 C ATOM 1579 CG GLU B 48 84.836 -12.574 54.514 1.00 0.00 C ATOM 1580 CD GLU B 48 85.027 -11.592 55.671 1.00 0.00 C ATOM 1581 OE1 GLU B 48 84.227 -10.678 55.783 1.00 0.00 O ATOM 1582 OE2 GLU B 48 85.964 -11.769 56.430 1.00 0.00 O ATOM 0 H GLU B 48 84.895 -12.330 51.579 1.00 0.00 H new ATOM 0 HA GLU B 48 83.208 -14.228 53.085 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.628 -11.215 53.358 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.713 -12.210 54.474 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.785 -13.596 54.890 1.00 0.00 H new ATOM 0 HG3 GLU B 48 85.687 -12.527 53.834 1.00 0.00 H new ATOM 1589 N ALA B 49 80.977 -13.634 52.141 1.00 0.00 N ATOM 1590 CA ALA B 49 79.665 -13.330 51.514 1.00 0.00 C ATOM 1591 C ALA B 49 78.812 -12.568 52.535 1.00 0.00 C ATOM 1592 O ALA B 49 79.259 -12.283 53.628 1.00 0.00 O ATOM 1593 CB ALA B 49 79.001 -14.648 51.116 1.00 0.00 C ATOM 0 H ALA B 49 81.000 -14.487 52.699 1.00 0.00 H new ATOM 0 HA ALA B 49 79.781 -12.715 50.621 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.035 -14.444 50.653 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.638 -15.177 50.407 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.855 -15.264 52.003 1.00 0.00 H new ATOM 1599 N MET B 50 77.602 -12.218 52.201 1.00 0.00 N ATOM 1600 CA MET B 50 76.757 -11.457 53.167 1.00 0.00 C ATOM 1601 C MET B 50 76.562 -12.276 54.457 1.00 0.00 C ATOM 1602 O MET B 50 76.142 -11.755 55.473 1.00 0.00 O ATOM 1603 CB MET B 50 75.404 -11.158 52.516 1.00 0.00 C ATOM 1604 CG MET B 50 75.613 -10.229 51.313 1.00 0.00 C ATOM 1605 SD MET B 50 74.009 -9.653 50.711 1.00 0.00 S ATOM 1606 CE MET B 50 74.627 -8.702 49.304 1.00 0.00 C ATOM 0 H MET B 50 77.161 -12.424 51.305 1.00 0.00 H new ATOM 0 HA MET B 50 77.249 -10.520 53.427 1.00 0.00 H new ATOM 0 HB2 MET B 50 74.929 -12.085 52.196 1.00 0.00 H new ATOM 0 HB3 MET B 50 74.735 -10.691 53.239 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.232 -9.379 51.600 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.143 -10.757 50.520 1.00 0.00 H new ATOM 0 HE1 MET B 50 73.789 -8.248 48.775 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.298 -7.920 49.660 1.00 0.00 H new ATOM 0 HE3 MET B 50 75.167 -9.364 48.627 1.00 0.00 H new ATOM 1616 N HIS B 51 76.885 -13.546 54.441 1.00 0.00 N ATOM 1617 CA HIS B 51 76.735 -14.368 55.682 1.00 0.00 C ATOM 1618 C HIS B 51 78.000 -14.236 56.528 1.00 0.00 C ATOM 1619 O HIS B 51 79.104 -14.412 56.052 1.00 0.00 O ATOM 1620 CB HIS B 51 76.521 -15.842 55.328 1.00 0.00 C ATOM 1621 CG HIS B 51 76.277 -16.630 56.590 1.00 0.00 C ATOM 1622 ND1 HIS B 51 77.268 -17.390 57.200 1.00 0.00 N ATOM 1623 CD2 HIS B 51 75.152 -16.799 57.361 1.00 0.00 C ATOM 1624 CE1 HIS B 51 76.722 -17.978 58.283 1.00 0.00 C ATOM 1625 NE2 HIS B 51 75.436 -17.650 58.423 1.00 0.00 N ATOM 0 H HIS B 51 77.244 -14.046 53.628 1.00 0.00 H new ATOM 0 HA HIS B 51 75.869 -14.009 56.238 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.672 -15.945 54.652 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.394 -16.232 54.806 1.00 0.00 H new ATOM 0 HD2 HIS B 51 74.193 -16.340 57.171 1.00 0.00 H new ATOM 0 HE1 HIS B 51 77.258 -18.633 58.954 1.00 0.00 H new ATOM 0 HE2 HIS B 51 74.796 -17.959 59.155 1.00 0.00 H new ATOM 1633 N GLY B 52 77.837 -13.921 57.782 1.00 0.00 N ATOM 1634 CA GLY B 52 79.012 -13.764 58.683 1.00 0.00 C ATOM 1635 C GLY B 52 78.512 -13.461 60.100 1.00 0.00 C ATOM 1636 O GLY B 52 78.833 -14.153 61.046 1.00 0.00 O ATOM 0 H GLY B 52 76.932 -13.764 58.225 1.00 0.00 H new ATOM 0 HA2 GLY B 52 79.613 -14.673 58.681 1.00 0.00 H new ATOM 0 HA3 GLY B 52 79.654 -12.957 58.329 1.00 0.00 H new ATOM 1640 N GLN B 53 77.719 -12.434 60.245 1.00 0.00 N ATOM 1641 CA GLN B 53 77.177 -12.072 61.586 1.00 0.00 C ATOM 1642 C GLN B 53 76.099 -13.098 61.984 1.00 0.00 C ATOM 1643 O GLN B 53 75.694 -13.917 61.181 1.00 0.00 O ATOM 1644 CB GLN B 53 76.577 -10.659 61.509 1.00 0.00 C ATOM 1645 CG GLN B 53 77.682 -9.645 61.171 1.00 0.00 C ATOM 1646 CD GLN B 53 77.077 -8.246 61.094 1.00 0.00 C ATOM 1647 OE1 GLN B 53 75.792 -8.107 61.250 1.00 0.00 O flip ATOM 1648 NE2 GLN B 53 77.773 -7.274 60.877 1.00 0.00 N flip ATOM 0 H GLN B 53 77.421 -11.824 59.484 1.00 0.00 H new ATOM 0 HA GLN B 53 77.967 -12.083 62.337 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.795 -10.626 60.750 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.110 -10.399 62.459 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.463 -9.674 61.931 1.00 0.00 H new ATOM 0 HG3 GLN B 53 78.151 -9.904 60.222 1.00 0.00 H new ATOM 0 HE21 GLN B 53 78.780 -7.385 60.755 1.00 0.00 H new ATOM 0 HE22 GLN B 53 77.351 -6.347 60.817 1.00 0.00 H new ATOM 1657 N VAL B 54 75.655 -13.079 63.218 1.00 0.00 N ATOM 1658 CA VAL B 54 74.623 -14.066 63.678 1.00 0.00 C ATOM 1659 C VAL B 54 75.169 -15.480 63.499 1.00 0.00 C ATOM 1660 O VAL B 54 76.045 -15.720 62.692 1.00 0.00 O ATOM 1661 CB VAL B 54 73.332 -13.920 62.865 1.00 0.00 C ATOM 1662 CG1 VAL B 54 72.194 -14.730 63.511 1.00 0.00 C ATOM 1663 CG2 VAL B 54 72.929 -12.450 62.818 1.00 0.00 C ATOM 0 H VAL B 54 75.964 -12.419 63.931 1.00 0.00 H new ATOM 0 HA VAL B 54 74.399 -13.875 64.728 1.00 0.00 H new ATOM 0 HB VAL B 54 73.509 -14.295 61.857 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.285 -14.615 62.921 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.472 -15.783 63.547 1.00 0.00 H new ATOM 0 HG13 VAL B 54 72.018 -14.366 64.523 1.00 0.00 H new ATOM 0 HG21 VAL B 54 72.011 -12.343 62.240 1.00 0.00 H new ATOM 0 HG22 VAL B 54 72.764 -12.085 63.832 1.00 0.00 H new ATOM 0 HG23 VAL B 54 73.723 -11.870 62.348 1.00 0.00 H new ATOM 1673 N ASP B 55 74.653 -16.425 64.234 1.00 0.00 N ATOM 1674 CA ASP B 55 75.141 -17.822 64.089 1.00 0.00 C ATOM 1675 C ASP B 55 74.343 -18.498 62.977 1.00 0.00 C ATOM 1676 O ASP B 55 74.909 -18.715 61.920 1.00 0.00 O ATOM 1677 CB ASP B 55 74.940 -18.578 65.405 1.00 0.00 C ATOM 1678 CG ASP B 55 75.704 -19.908 65.360 1.00 0.00 C ATOM 1679 OD1 ASP B 55 76.176 -20.261 64.291 1.00 0.00 O ATOM 1680 OD2 ASP B 55 75.804 -20.549 66.395 1.00 0.00 O ATOM 1681 OXT ASP B 55 73.175 -18.773 63.199 1.00 0.00 O ATOM 0 H ASP B 55 73.917 -16.290 64.927 1.00 0.00 H new ATOM 0 HA ASP B 55 76.203 -17.825 63.842 1.00 0.00 H new ATOM 0 HB2 ASP B 55 75.293 -17.973 66.240 1.00 0.00 H new ATOM 0 HB3 ASP B 55 73.879 -18.763 65.571 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.047 -1.990 35.817 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.587 -20.932 39.941 1.00 0.00 ZN