USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -2.74! X(o=-4.6!,f=-4.8) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.85 X(o=-4.6,f=-4.2!) USER MOD Single : A 1 PHE N :NH3+ 141:sc= 0.959 (180deg=0.333) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.0799 (180deg=-0.716) USER MOD Single : A 9 GLN : amide:sc= -0.0455 K(o=-0.045,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -40:sc= 1.26 USER MOD Single : A 16 HIS : no HD1:sc= -0.696 X(o=-0.7,f=-0.77) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0366 K(o=-0.037,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 158:sc= -0.185 (180deg=-1.57) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.742 F(o=-2.9!,f=-0.74) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00291) USER MOD Single : A 39 SER OG : rot 92:sc= 0.891 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0603) 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) USER MOD Single : A 53 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : B 1 PHE N :NH3+ 149:sc= 1.03 (180deg=0.385) USER MOD Single : B 7 LYS NZ :NH3+ -157:sc= -0.118 (180deg=-0.695) USER MOD Single : B 9 GLN : amide:sc= -0.0443 K(o=-0.044,f=-1.8!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -13:sc= 1.29 USER MOD Single : B 16 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.8) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 157:sc= -0.204 (180deg=-1.56) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.721 F(o=-2.8!,f=-0.72) USER MOD Single : B 34 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.00156) USER MOD Single : B 39 SER OG : rot 101:sc= 1.01 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0574) 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) USER MOD Single : B 53 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.504 -4.892 23.631 1.00 0.00 N ATOM 2 CA PHE A 1 95.198 -4.225 24.929 1.00 0.00 C ATOM 3 C PHE A 1 95.364 -2.713 24.767 1.00 0.00 C ATOM 4 O PHE A 1 96.462 -2.210 24.625 1.00 0.00 O ATOM 5 CB PHE A 1 96.153 -4.748 26.004 1.00 0.00 C ATOM 6 CG PHE A 1 96.324 -6.242 25.835 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.249 -7.100 26.092 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.551 -6.769 25.411 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.399 -8.481 25.931 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.702 -8.153 25.250 1.00 0.00 C ATOM 11 CZ PHE A 1 96.625 -9.008 25.510 1.00 0.00 C ATOM 0 H1 PHE A 1 96.026 -5.774 23.808 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.616 -5.109 23.135 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.083 -4.259 23.043 1.00 0.00 H new ATOM 0 HA PHE A 1 94.173 -4.443 25.228 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.118 -4.248 25.924 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.760 -4.525 26.996 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.302 -6.695 26.415 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.381 -6.108 25.208 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.568 -9.141 26.132 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.649 -8.559 24.926 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.740 -10.075 25.386 1.00 0.00 H new ATOM 23 N LEU A 2 94.273 -1.988 24.764 1.00 0.00 N ATOM 24 CA LEU A 2 94.347 -0.504 24.586 1.00 0.00 C ATOM 25 C LEU A 2 94.231 0.223 25.916 1.00 0.00 C ATOM 26 O LEU A 2 93.423 -0.105 26.750 1.00 0.00 O ATOM 27 CB LEU A 2 93.209 -0.044 23.670 1.00 0.00 C ATOM 28 CG LEU A 2 93.325 -0.720 22.299 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.110 -0.332 21.450 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.616 -0.267 21.592 1.00 0.00 C ATOM 0 H LEU A 2 93.331 -2.361 24.878 1.00 0.00 H new ATOM 0 HA LEU A 2 95.315 -0.267 24.145 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.248 -0.287 24.123 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.242 1.039 23.553 1.00 0.00 H new ATOM 0 HG LEU A 2 93.358 -1.802 22.429 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.183 -0.808 20.472 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.198 -0.662 21.947 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.084 0.751 21.326 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.688 -0.753 20.619 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.596 0.814 21.456 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.479 -0.541 22.199 1.00 0.00 H new ATOM 42 N ASP A 3 95.026 1.239 26.094 1.00 0.00 N ATOM 43 CA ASP A 3 94.961 2.034 27.347 1.00 0.00 C ATOM 44 C ASP A 3 93.554 2.617 27.464 1.00 0.00 C ATOM 45 O ASP A 3 92.970 2.656 28.529 1.00 0.00 O ATOM 46 CB ASP A 3 95.987 3.169 27.291 1.00 0.00 C ATOM 47 CG ASP A 3 95.918 3.987 28.583 1.00 0.00 C ATOM 48 OD1 ASP A 3 95.035 3.723 29.382 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.753 4.858 28.755 1.00 0.00 O ATOM 0 H ASP A 3 95.723 1.554 25.419 1.00 0.00 H new ATOM 0 HA ASP A 3 95.183 1.404 28.208 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.989 2.761 27.160 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.789 3.810 26.432 1.00 0.00 H new ATOM 54 N GLY A 4 93.003 3.061 26.364 1.00 0.00 N ATOM 55 CA GLY A 4 91.626 3.634 26.389 1.00 0.00 C ATOM 56 C GLY A 4 90.693 2.671 27.126 1.00 0.00 C ATOM 57 O GLY A 4 89.573 3.009 27.460 1.00 0.00 O ATOM 0 H GLY A 4 93.450 3.051 25.447 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.632 4.604 26.885 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.269 3.798 25.372 1.00 0.00 H new ATOM 61 N ILE A 5 91.154 1.480 27.399 1.00 0.00 N ATOM 62 CA ILE A 5 90.308 0.501 28.132 1.00 0.00 C ATOM 63 C ILE A 5 89.950 1.096 29.496 1.00 0.00 C ATOM 64 O ILE A 5 88.881 0.864 30.025 1.00 0.00 O ATOM 65 CB ILE A 5 91.083 -0.819 28.298 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.052 -1.594 26.978 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.449 -1.676 29.401 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.061 -2.744 27.032 1.00 0.00 C ATOM 0 H ILE A 5 92.083 1.144 27.144 1.00 0.00 H new ATOM 0 HA ILE A 5 89.392 0.294 27.579 1.00 0.00 H new ATOM 0 HB ILE A 5 92.113 -0.591 28.574 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.050 -1.984 26.798 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.289 -0.928 26.148 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.008 -2.606 29.506 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.472 -1.130 30.344 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.416 -1.902 29.138 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.037 -3.294 26.091 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.062 -2.343 27.192 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.804 -3.415 27.851 1.00 0.00 H new ATOM 80 N ASP A 6 90.829 1.877 30.060 1.00 0.00 N ATOM 81 CA ASP A 6 90.526 2.497 31.377 1.00 0.00 C ATOM 82 C ASP A 6 89.275 3.361 31.218 1.00 0.00 C ATOM 83 O ASP A 6 88.422 3.406 32.080 1.00 0.00 O ATOM 84 CB ASP A 6 91.702 3.370 31.825 1.00 0.00 C ATOM 85 CG ASP A 6 91.386 3.993 33.186 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.236 3.939 33.588 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.301 4.507 33.808 1.00 0.00 O ATOM 0 H ASP A 6 91.740 2.111 29.667 1.00 0.00 H new ATOM 0 HA ASP A 6 90.361 1.724 32.128 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.610 2.770 31.890 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.889 4.153 31.090 1.00 0.00 H new ATOM 92 N LYS A 7 89.161 4.043 30.113 1.00 0.00 N ATOM 93 CA LYS A 7 87.966 4.900 29.880 1.00 0.00 C ATOM 94 C LYS A 7 86.716 4.019 29.853 1.00 0.00 C ATOM 95 O LYS A 7 85.669 4.393 30.342 1.00 0.00 O ATOM 96 CB LYS A 7 88.110 5.629 28.541 1.00 0.00 C ATOM 97 CG LYS A 7 86.936 6.594 28.358 1.00 0.00 C ATOM 98 CD LYS A 7 87.080 7.330 27.026 1.00 0.00 C ATOM 99 CE LYS A 7 85.905 8.292 26.848 1.00 0.00 C ATOM 100 NZ LYS A 7 84.630 7.522 26.860 1.00 0.00 N ATOM 0 H LYS A 7 89.847 4.044 29.358 1.00 0.00 H new ATOM 0 HA LYS A 7 87.880 5.635 30.680 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.052 6.176 28.512 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.134 4.909 27.723 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.994 6.046 28.382 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.909 7.310 29.180 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.021 7.879 27.001 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.107 6.615 26.204 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.903 9.033 27.647 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.005 8.836 25.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 83.887 8.073 26.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.765 6.619 26.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 84.346 7.336 27.843 1.00 0.00 H new ATOM 114 N ALA A 8 86.818 2.850 29.283 1.00 0.00 N ATOM 115 CA ALA A 8 85.635 1.945 29.221 1.00 0.00 C ATOM 116 C ALA A 8 85.146 1.647 30.641 1.00 0.00 C ATOM 117 O ALA A 8 83.964 1.501 30.878 1.00 0.00 O ATOM 118 CB ALA A 8 86.030 0.637 28.530 1.00 0.00 C ATOM 0 H ALA A 8 87.669 2.482 28.858 1.00 0.00 H new ATOM 0 HA ALA A 8 84.837 2.427 28.656 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.166 -0.026 28.484 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.378 0.850 27.519 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.828 0.154 29.094 1.00 0.00 H new ATOM 124 N GLN A 9 86.041 1.552 31.588 1.00 0.00 N ATOM 125 CA GLN A 9 85.609 1.260 32.986 1.00 0.00 C ATOM 126 C GLN A 9 84.671 2.367 33.474 1.00 0.00 C ATOM 127 O GLN A 9 83.695 2.116 34.152 1.00 0.00 O ATOM 128 CB GLN A 9 86.836 1.216 33.902 1.00 0.00 C ATOM 129 CG GLN A 9 87.675 -0.026 33.595 1.00 0.00 C ATOM 130 CD GLN A 9 89.010 0.068 34.336 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.447 1.146 34.691 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.681 -1.022 34.590 1.00 0.00 N ATOM 0 H GLN A 9 87.046 1.663 31.456 1.00 0.00 H new ATOM 0 HA GLN A 9 85.094 0.300 33.008 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.437 2.114 33.762 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.521 1.203 34.945 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.139 -0.925 33.900 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.847 -0.106 32.522 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.316 -1.927 34.293 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.571 -0.969 35.086 1.00 0.00 H new ATOM 141 N GLU A 10 84.970 3.594 33.144 1.00 0.00 N ATOM 142 CA GLU A 10 84.111 4.728 33.594 1.00 0.00 C ATOM 143 C GLU A 10 82.684 4.566 33.064 1.00 0.00 C ATOM 144 O GLU A 10 81.724 4.858 33.749 1.00 0.00 O ATOM 145 CB GLU A 10 84.699 6.049 33.080 1.00 0.00 C ATOM 146 CG GLU A 10 83.944 7.234 33.699 1.00 0.00 C ATOM 147 CD GLU A 10 82.609 7.435 32.977 1.00 0.00 C ATOM 148 OE1 GLU A 10 82.626 7.561 31.765 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.593 7.461 33.651 1.00 0.00 O ATOM 0 H GLU A 10 85.776 3.862 32.579 1.00 0.00 H new ATOM 0 HA GLU A 10 84.081 4.734 34.684 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.757 6.109 33.333 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.629 6.090 31.993 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.770 7.052 34.760 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.547 8.139 33.626 1.00 0.00 H new ATOM 156 N GLU A 11 82.533 4.130 31.841 1.00 0.00 N ATOM 157 CA GLU A 11 81.161 3.982 31.261 1.00 0.00 C ATOM 158 C GLU A 11 80.628 2.566 31.485 1.00 0.00 C ATOM 159 O GLU A 11 79.523 2.250 31.090 1.00 0.00 O ATOM 160 CB GLU A 11 81.210 4.264 29.759 1.00 0.00 C ATOM 161 CG GLU A 11 81.483 5.749 29.523 1.00 0.00 C ATOM 162 CD GLU A 11 81.533 6.026 28.020 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.542 5.070 27.261 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.555 7.189 27.651 1.00 0.00 O ATOM 0 H GLU A 11 83.297 3.870 31.218 1.00 0.00 H new ATOM 0 HA GLU A 11 80.498 4.692 31.756 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.989 3.662 29.291 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.266 3.980 29.295 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.703 6.351 29.989 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.427 6.034 29.988 1.00 0.00 H new ATOM 171 N CYS A 12 81.384 1.707 32.115 1.00 0.00 N ATOM 172 CA CYS A 12 80.882 0.320 32.348 1.00 0.00 C ATOM 173 C CYS A 12 79.469 0.394 32.933 1.00 0.00 C ATOM 174 O CYS A 12 78.567 -0.297 32.501 1.00 0.00 O ATOM 175 CB CYS A 12 81.805 -0.404 33.331 1.00 0.00 C ATOM 176 SG CYS A 12 81.232 -2.105 33.554 1.00 0.00 S ATOM 0 H CYS A 12 82.318 1.902 32.475 1.00 0.00 H new ATOM 0 HA CYS A 12 80.864 -0.227 31.405 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.828 -0.400 32.956 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.814 0.117 34.289 1.00 0.00 H new ATOM 181 N GLU A 13 79.272 1.240 33.903 1.00 0.00 N ATOM 182 CA GLU A 13 77.923 1.384 34.515 1.00 0.00 C ATOM 183 C GLU A 13 76.918 1.821 33.440 1.00 0.00 C ATOM 184 O GLU A 13 75.791 1.368 33.409 1.00 0.00 O ATOM 185 CB GLU A 13 77.982 2.431 35.629 1.00 0.00 C ATOM 186 CG GLU A 13 76.636 2.495 36.352 1.00 0.00 C ATOM 187 CD GLU A 13 76.711 3.532 37.474 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.771 4.110 37.650 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.708 3.732 38.139 1.00 0.00 O ATOM 0 H GLU A 13 79.992 1.842 34.301 1.00 0.00 H new ATOM 0 HA GLU A 13 77.605 0.429 34.935 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.773 2.179 36.335 1.00 0.00 H new ATOM 0 HB3 GLU A 13 78.227 3.407 35.210 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.846 2.759 35.650 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.384 1.517 36.762 1.00 0.00 H new ATOM 196 N LYS A 14 77.319 2.707 32.564 1.00 0.00 N ATOM 197 CA LYS A 14 76.388 3.183 31.497 1.00 0.00 C ATOM 198 C LYS A 14 75.950 2.001 30.627 1.00 0.00 C ATOM 199 O LYS A 14 74.804 1.903 30.235 1.00 0.00 O ATOM 200 CB LYS A 14 77.089 4.234 30.627 1.00 0.00 C ATOM 201 CG LYS A 14 76.108 4.774 29.578 1.00 0.00 C ATOM 202 CD LYS A 14 76.806 5.823 28.708 1.00 0.00 C ATOM 203 CE LYS A 14 75.818 6.356 27.666 1.00 0.00 C ATOM 204 NZ LYS A 14 76.414 7.530 26.967 1.00 0.00 N ATOM 0 H LYS A 14 78.251 3.121 32.542 1.00 0.00 H new ATOM 0 HA LYS A 14 75.510 3.631 31.962 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.456 5.050 31.250 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.956 3.793 30.135 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.741 3.958 28.956 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.241 5.215 30.070 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.174 6.640 29.328 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.672 5.384 28.213 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.577 5.575 26.945 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.884 6.643 28.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.742 7.891 26.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.622 8.277 27.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.294 7.242 26.493 1.00 0.00 H new ATOM 218 N TYR A 15 76.846 1.100 30.317 1.00 0.00 N ATOM 219 CA TYR A 15 76.460 -0.068 29.471 1.00 0.00 C ATOM 220 C TYR A 15 75.854 -1.156 30.359 1.00 0.00 C ATOM 221 O TYR A 15 75.273 -2.108 29.882 1.00 0.00 O ATOM 222 CB TYR A 15 77.695 -0.624 28.755 1.00 0.00 C ATOM 223 CG TYR A 15 78.155 0.352 27.697 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.562 0.335 26.430 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.169 1.273 27.984 1.00 0.00 C ATOM 226 CE1 TYR A 15 77.983 1.240 25.448 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.590 2.177 27.002 1.00 0.00 C ATOM 228 CZ TYR A 15 78.998 2.161 25.734 1.00 0.00 C ATOM 229 OH TYR A 15 79.413 3.052 24.766 1.00 0.00 O ATOM 0 H TYR A 15 77.822 1.122 30.611 1.00 0.00 H new ATOM 0 HA TYR A 15 75.729 0.251 28.728 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.495 -0.799 29.474 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.460 -1.586 28.299 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.780 -0.376 26.209 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.626 1.286 28.962 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.525 1.228 24.470 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.373 2.888 27.223 1.00 0.00 H new ATOM 0 HH TYR A 15 79.451 2.598 23.898 1.00 0.00 H new ATOM 239 N HIS A 16 75.977 -1.008 31.650 1.00 0.00 N ATOM 240 CA HIS A 16 75.397 -2.015 32.585 1.00 0.00 C ATOM 241 C HIS A 16 75.993 -3.400 32.317 1.00 0.00 C ATOM 242 O HIS A 16 77.186 -3.556 32.148 1.00 0.00 O ATOM 243 CB HIS A 16 73.876 -2.070 32.410 1.00 0.00 C ATOM 244 CG HIS A 16 73.321 -0.672 32.399 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.170 0.073 33.560 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.878 0.131 31.377 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.656 1.267 33.211 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.460 1.351 31.895 1.00 0.00 N ATOM 0 H HIS A 16 76.457 -0.229 32.100 1.00 0.00 H new ATOM 0 HA HIS A 16 75.636 -1.719 33.606 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.625 -2.580 31.480 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.427 -2.645 33.220 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.858 -0.143 30.333 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.430 2.059 33.910 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.082 2.144 31.377 1.00 0.00 H new ATOM 257 N SER A 17 75.162 -4.408 32.298 1.00 0.00 N ATOM 258 CA SER A 17 75.656 -5.796 32.069 1.00 0.00 C ATOM 259 C SER A 17 75.802 -6.075 30.568 1.00 0.00 C ATOM 260 O SER A 17 76.256 -7.130 30.173 1.00 0.00 O ATOM 261 CB SER A 17 74.654 -6.783 32.667 1.00 0.00 C ATOM 262 OG SER A 17 74.490 -6.504 34.052 1.00 0.00 O ATOM 0 H SER A 17 74.154 -4.328 32.432 1.00 0.00 H new ATOM 0 HA SER A 17 76.631 -5.909 32.543 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.696 -6.704 32.152 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.006 -7.805 32.529 1.00 0.00 H new ATOM 0 HG SER A 17 73.847 -7.134 34.439 1.00 0.00 H new ATOM 268 N ASN A 18 75.411 -5.157 29.726 1.00 0.00 N ATOM 269 CA ASN A 18 75.525 -5.406 28.259 1.00 0.00 C ATOM 270 C ASN A 18 76.960 -5.143 27.797 1.00 0.00 C ATOM 271 O ASN A 18 77.247 -4.132 27.186 1.00 0.00 O ATOM 272 CB ASN A 18 74.582 -4.466 27.505 1.00 0.00 C ATOM 273 CG ASN A 18 73.132 -4.864 27.773 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.858 -5.977 28.175 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.184 -3.994 27.559 1.00 0.00 N ATOM 0 H ASN A 18 75.020 -4.252 29.987 1.00 0.00 H new ATOM 0 HA ASN A 18 75.258 -6.443 28.054 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.751 -3.437 27.821 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.789 -4.509 26.436 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.211 -4.248 27.729 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.416 -3.060 27.221 1.00 0.00 H new ATOM 282 N TRP A 19 77.863 -6.044 28.075 1.00 0.00 N ATOM 283 CA TRP A 19 79.273 -5.835 27.638 1.00 0.00 C ATOM 284 C TRP A 19 79.373 -5.975 26.118 1.00 0.00 C ATOM 285 O TRP A 19 80.270 -5.441 25.496 1.00 0.00 O ATOM 286 CB TRP A 19 80.185 -6.865 28.313 1.00 0.00 C ATOM 287 CG TRP A 19 79.717 -8.253 28.000 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.840 -8.960 28.749 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.081 -9.110 26.878 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.646 -10.197 28.162 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.387 -10.337 27.006 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.938 -8.946 25.772 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.538 -11.364 26.073 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.089 -9.978 24.831 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.392 -11.183 24.982 1.00 0.00 C ATOM 0 H TRP A 19 77.687 -6.911 28.583 1.00 0.00 H new ATOM 0 HA TRP A 19 79.589 -4.833 27.926 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.211 -6.733 27.970 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.187 -6.708 29.392 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.368 -8.615 29.657 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.030 -10.918 28.538 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.482 -8.021 25.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.999 -12.292 26.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.747 -9.841 23.986 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.514 -11.972 24.255 1.00 0.00 H new ATOM 306 N ARG A 20 78.467 -6.695 25.512 1.00 0.00 N ATOM 307 CA ARG A 20 78.526 -6.869 24.034 1.00 0.00 C ATOM 308 C ARG A 20 78.402 -5.508 23.346 1.00 0.00 C ATOM 309 O ARG A 20 79.070 -5.232 22.370 1.00 0.00 O ATOM 310 CB ARG A 20 77.378 -7.771 23.580 1.00 0.00 C ATOM 311 CG ARG A 20 77.635 -9.200 24.059 1.00 0.00 C ATOM 312 CD ARG A 20 76.494 -10.111 23.602 1.00 0.00 C ATOM 313 NE ARG A 20 76.711 -11.483 24.143 1.00 0.00 N ATOM 314 CZ ARG A 20 75.740 -12.354 24.127 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.582 -12.033 23.619 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.929 -13.549 24.616 1.00 0.00 N ATOM 0 H ARG A 20 77.692 -7.168 25.976 1.00 0.00 H new ATOM 0 HA ARG A 20 79.479 -7.324 23.765 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.433 -7.405 23.982 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.292 -7.750 22.494 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.583 -9.562 23.662 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.716 -9.220 25.146 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.538 -9.718 23.949 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.450 -10.140 22.513 1.00 0.00 H new ATOM 0 HE ARG A 20 77.620 -11.741 24.526 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.435 -11.100 23.234 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.824 -12.715 23.607 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.835 -13.801 25.010 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.170 -14.231 24.604 1.00 0.00 H new ATOM 330 N ALA A 21 77.549 -4.657 23.846 1.00 0.00 N ATOM 331 CA ALA A 21 77.382 -3.316 23.218 1.00 0.00 C ATOM 332 C ALA A 21 78.671 -2.509 23.393 1.00 0.00 C ATOM 333 O ALA A 21 79.122 -1.839 22.486 1.00 0.00 O ATOM 334 CB ALA A 21 76.219 -2.580 23.889 1.00 0.00 C ATOM 0 H ALA A 21 76.961 -4.832 24.661 1.00 0.00 H new ATOM 0 HA ALA A 21 77.170 -3.434 22.155 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.096 -1.599 23.430 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.303 -3.157 23.763 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.429 -2.460 24.952 1.00 0.00 H new ATOM 340 N MET A 22 79.272 -2.576 24.548 1.00 0.00 N ATOM 341 CA MET A 22 80.537 -1.822 24.774 1.00 0.00 C ATOM 342 C MET A 22 81.612 -2.335 23.813 1.00 0.00 C ATOM 343 O MET A 22 82.353 -1.574 23.230 1.00 0.00 O ATOM 344 CB MET A 22 80.994 -2.023 26.220 1.00 0.00 C ATOM 345 CG MET A 22 82.291 -1.250 26.458 1.00 0.00 C ATOM 346 SD MET A 22 82.678 -1.249 28.225 1.00 0.00 S ATOM 347 CE MET A 22 82.927 -3.031 28.406 1.00 0.00 C ATOM 0 H MET A 22 78.942 -3.120 25.345 1.00 0.00 H new ATOM 0 HA MET A 22 80.371 -0.760 24.593 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.222 -1.678 26.908 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.149 -3.083 26.420 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.107 -1.706 25.897 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.188 -0.227 26.097 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.539 -3.225 29.287 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.961 -3.524 28.520 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.431 -3.420 27.521 1.00 0.00 H new ATOM 357 N ALA A 23 81.696 -3.622 23.636 1.00 0.00 N ATOM 358 CA ALA A 23 82.721 -4.183 22.711 1.00 0.00 C ATOM 359 C ALA A 23 82.533 -3.594 21.308 1.00 0.00 C ATOM 360 O ALA A 23 83.488 -3.287 20.623 1.00 0.00 O ATOM 361 CB ALA A 23 82.569 -5.705 22.660 1.00 0.00 C ATOM 0 H ALA A 23 81.099 -4.312 24.092 1.00 0.00 H new ATOM 0 HA ALA A 23 83.718 -3.927 23.070 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.316 -6.123 21.985 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.711 -6.118 23.659 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.572 -5.959 22.300 1.00 0.00 H new ATOM 367 N SER A 24 81.312 -3.442 20.872 1.00 0.00 N ATOM 368 CA SER A 24 81.067 -2.882 19.511 1.00 0.00 C ATOM 369 C SER A 24 81.540 -1.427 19.448 1.00 0.00 C ATOM 370 O SER A 24 82.078 -0.984 18.454 1.00 0.00 O ATOM 371 CB SER A 24 79.572 -2.940 19.190 1.00 0.00 C ATOM 372 OG SER A 24 79.342 -2.349 17.919 1.00 0.00 O ATOM 0 H SER A 24 80.472 -3.681 21.400 1.00 0.00 H new ATOM 0 HA SER A 24 81.622 -3.473 18.783 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.228 -3.974 19.191 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.003 -2.414 19.957 1.00 0.00 H new ATOM 0 HG SER A 24 78.385 -2.386 17.709 1.00 0.00 H new ATOM 378 N ASP A 25 81.335 -0.680 20.495 1.00 0.00 N ATOM 379 CA ASP A 25 81.763 0.750 20.482 1.00 0.00 C ATOM 380 C ASP A 25 83.289 0.846 20.499 1.00 0.00 C ATOM 381 O ASP A 25 83.871 1.670 19.824 1.00 0.00 O ATOM 382 CB ASP A 25 81.197 1.458 21.714 1.00 0.00 C ATOM 383 CG ASP A 25 79.684 1.614 21.564 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.228 1.714 20.436 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.007 1.630 22.578 1.00 0.00 O ATOM 0 H ASP A 25 80.891 -0.994 21.358 1.00 0.00 H new ATOM 0 HA ASP A 25 81.388 1.225 19.575 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.427 0.886 22.613 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.664 2.436 21.831 1.00 0.00 H new ATOM 390 N PHE A 26 83.945 0.011 21.257 1.00 0.00 N ATOM 391 CA PHE A 26 85.440 0.057 21.306 1.00 0.00 C ATOM 392 C PHE A 26 86.017 -0.936 20.292 1.00 0.00 C ATOM 393 O PHE A 26 87.216 -1.063 20.147 1.00 0.00 O ATOM 394 CB PHE A 26 85.926 -0.284 22.717 1.00 0.00 C ATOM 395 CG PHE A 26 85.571 0.849 23.658 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.454 1.927 23.815 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.360 0.832 24.365 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.127 2.981 24.675 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.036 1.889 25.224 1.00 0.00 C ATOM 400 CZ PHE A 26 84.919 2.962 25.379 1.00 0.00 C ATOM 0 H PHE A 26 83.514 -0.702 21.845 1.00 0.00 H new ATOM 0 HA PHE A 26 85.780 1.061 21.053 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.467 -1.212 23.058 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.004 -0.445 22.714 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.387 1.944 23.272 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.677 0.004 24.247 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.808 3.810 24.795 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.103 1.876 25.768 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.668 3.776 26.043 1.00 0.00 H new ATOM 410 N ASN A 27 85.170 -1.628 19.577 1.00 0.00 N ATOM 411 CA ASN A 27 85.664 -2.598 18.554 1.00 0.00 C ATOM 412 C ASN A 27 86.681 -3.556 19.178 1.00 0.00 C ATOM 413 O ASN A 27 87.727 -3.804 18.615 1.00 0.00 O ATOM 414 CB ASN A 27 86.335 -1.834 17.409 1.00 0.00 C ATOM 415 CG ASN A 27 85.318 -0.910 16.737 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.042 -1.150 16.872 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.689 0.043 16.079 1.00 0.00 N flip ATOM 0 H ASN A 27 84.155 -1.564 19.657 1.00 0.00 H new ATOM 0 HA ASN A 27 84.817 -3.171 18.176 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.173 -1.251 17.791 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.740 -2.535 16.680 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.686 0.232 15.972 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.004 0.653 15.634 1.00 0.00 H new ATOM 424 N LEU A 28 86.382 -4.095 20.337 1.00 0.00 N ATOM 425 CA LEU A 28 87.335 -5.042 21.008 1.00 0.00 C ATOM 426 C LEU A 28 86.691 -6.435 21.097 1.00 0.00 C ATOM 427 O LEU A 28 85.485 -6.555 21.150 1.00 0.00 O ATOM 428 CB LEU A 28 87.622 -4.535 22.424 1.00 0.00 C ATOM 429 CG LEU A 28 88.606 -3.353 22.372 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.535 -2.570 23.690 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.049 -3.862 22.157 1.00 0.00 C ATOM 0 H LEU A 28 85.518 -3.920 20.849 1.00 0.00 H new ATOM 0 HA LEU A 28 88.261 -5.101 20.435 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.693 -4.225 22.903 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.039 -5.340 23.029 1.00 0.00 H new ATOM 0 HG LEU A 28 88.332 -2.704 21.540 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.232 -1.733 23.654 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.522 -2.193 23.835 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.800 -3.227 24.518 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.733 -3.014 22.123 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.329 -4.520 22.979 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.105 -4.411 21.217 1.00 0.00 H new ATOM 443 N PRO A 29 87.485 -7.482 21.127 1.00 0.00 N ATOM 444 CA PRO A 29 86.957 -8.873 21.227 1.00 0.00 C ATOM 445 C PRO A 29 86.440 -9.178 22.649 1.00 0.00 C ATOM 446 O PRO A 29 86.937 -8.633 23.614 1.00 0.00 O ATOM 447 CB PRO A 29 88.177 -9.741 20.889 1.00 0.00 C ATOM 448 CG PRO A 29 89.350 -8.924 21.322 1.00 0.00 C ATOM 449 CD PRO A 29 88.962 -7.466 21.063 1.00 0.00 C ATOM 0 HA PRO A 29 86.108 -9.050 20.566 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.143 -10.695 21.414 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.221 -9.965 19.823 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.573 -9.088 22.376 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.244 -9.196 20.761 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.388 -6.799 21.812 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.317 -7.123 20.091 1.00 0.00 H new ATOM 457 N PRO A 30 85.455 -10.039 22.786 1.00 0.00 N ATOM 458 CA PRO A 30 84.888 -10.401 24.119 1.00 0.00 C ATOM 459 C PRO A 30 85.956 -10.550 25.217 1.00 0.00 C ATOM 460 O PRO A 30 85.663 -10.439 26.391 1.00 0.00 O ATOM 461 CB PRO A 30 84.208 -11.747 23.853 1.00 0.00 C ATOM 462 CG PRO A 30 83.765 -11.679 22.424 1.00 0.00 C ATOM 463 CD PRO A 30 84.766 -10.764 21.697 1.00 0.00 C ATOM 0 HA PRO A 30 84.221 -9.624 24.493 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.897 -12.576 24.014 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.362 -11.901 24.522 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.751 -12.672 21.975 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.753 -11.282 22.351 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.469 -11.341 21.096 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.258 -10.077 21.021 1.00 0.00 H new ATOM 471 N VAL A 31 87.182 -10.826 24.855 1.00 0.00 N ATOM 472 CA VAL A 31 88.238 -11.007 25.900 1.00 0.00 C ATOM 473 C VAL A 31 88.388 -9.732 26.736 1.00 0.00 C ATOM 474 O VAL A 31 88.346 -9.769 27.949 1.00 0.00 O ATOM 475 CB VAL A 31 89.582 -11.322 25.226 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.723 -11.266 26.267 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.516 -12.719 24.600 1.00 0.00 C ATOM 0 H VAL A 31 87.498 -10.933 23.891 1.00 0.00 H new ATOM 0 HA VAL A 31 87.944 -11.830 26.551 1.00 0.00 H new ATOM 0 HB VAL A 31 89.780 -10.583 24.450 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.672 -11.491 25.779 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.767 -10.269 26.705 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.536 -11.999 27.052 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.467 -12.948 24.120 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.315 -13.457 25.377 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.719 -12.748 23.857 1.00 0.00 H new ATOM 487 N VAL A 32 88.577 -8.611 26.103 1.00 0.00 N ATOM 488 CA VAL A 32 88.747 -7.347 26.873 1.00 0.00 C ATOM 489 C VAL A 32 87.408 -6.907 27.467 1.00 0.00 C ATOM 490 O VAL A 32 87.345 -6.433 28.582 1.00 0.00 O ATOM 491 CB VAL A 32 89.293 -6.254 25.956 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.422 -4.944 26.742 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.668 -6.676 25.431 1.00 0.00 C ATOM 0 H VAL A 32 88.621 -8.513 25.089 1.00 0.00 H new ATOM 0 HA VAL A 32 89.452 -7.520 27.686 1.00 0.00 H new ATOM 0 HB VAL A 32 88.613 -6.105 25.117 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.812 -4.164 26.088 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.443 -4.647 27.117 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.104 -5.088 27.580 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.062 -5.899 24.776 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.348 -6.823 26.270 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.574 -7.608 24.873 1.00 0.00 H new ATOM 503 N ALA A 33 86.340 -7.044 26.732 1.00 0.00 N ATOM 504 CA ALA A 33 85.016 -6.612 27.266 1.00 0.00 C ATOM 505 C ALA A 33 84.698 -7.398 28.538 1.00 0.00 C ATOM 506 O ALA A 33 84.357 -6.833 29.558 1.00 0.00 O ATOM 507 CB ALA A 33 83.935 -6.872 26.216 1.00 0.00 C ATOM 0 H ALA A 33 86.325 -7.434 25.790 1.00 0.00 H new ATOM 0 HA ALA A 33 85.046 -5.547 27.498 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.967 -6.557 26.605 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.164 -6.309 25.311 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.903 -7.936 25.982 1.00 0.00 H new ATOM 513 N LYS A 34 84.818 -8.691 28.492 1.00 0.00 N ATOM 514 CA LYS A 34 84.535 -9.507 29.704 1.00 0.00 C ATOM 515 C LYS A 34 85.472 -9.098 30.841 1.00 0.00 C ATOM 516 O LYS A 34 85.080 -9.033 31.989 1.00 0.00 O ATOM 517 CB LYS A 34 84.742 -10.988 29.385 1.00 0.00 C ATOM 518 CG LYS A 34 83.626 -11.472 28.460 1.00 0.00 C ATOM 519 CD LYS A 34 83.833 -12.956 28.141 1.00 0.00 C ATOM 520 CE LYS A 34 82.643 -13.485 27.336 1.00 0.00 C ATOM 521 NZ LYS A 34 81.520 -13.798 28.266 1.00 0.00 N ATOM 0 H LYS A 34 85.100 -9.221 27.667 1.00 0.00 H new ATOM 0 HA LYS A 34 83.503 -9.339 30.011 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.712 -11.136 28.910 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.745 -11.572 30.305 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.656 -11.323 28.934 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.624 -10.888 27.539 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.755 -13.090 27.575 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.940 -13.524 29.065 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.327 -12.744 26.602 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.932 -14.378 26.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.722 -14.190 27.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.837 -14.494 28.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.218 -12.929 28.750 1.00 0.00 H new ATOM 535 N GLU A 35 86.713 -8.840 30.538 1.00 0.00 N ATOM 536 CA GLU A 35 87.679 -8.456 31.607 1.00 0.00 C ATOM 537 C GLU A 35 87.231 -7.164 32.293 1.00 0.00 C ATOM 538 O GLU A 35 87.340 -7.026 33.495 1.00 0.00 O ATOM 539 CB GLU A 35 89.062 -8.241 30.988 1.00 0.00 C ATOM 540 CG GLU A 35 90.098 -8.022 32.096 1.00 0.00 C ATOM 541 CD GLU A 35 90.005 -6.587 32.627 1.00 0.00 C ATOM 542 OE1 GLU A 35 90.182 -5.671 31.840 1.00 0.00 O ATOM 543 OE2 GLU A 35 89.755 -6.432 33.811 1.00 0.00 O ATOM 0 H GLU A 35 87.102 -8.878 29.596 1.00 0.00 H new ATOM 0 HA GLU A 35 87.720 -9.256 32.347 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.339 -9.105 30.384 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.042 -7.379 30.321 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.929 -8.730 32.907 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.100 -8.211 31.711 1.00 0.00 H new ATOM 550 N ILE A 36 86.731 -6.214 31.553 1.00 0.00 N ATOM 551 CA ILE A 36 86.293 -4.943 32.195 1.00 0.00 C ATOM 552 C ILE A 36 85.187 -5.264 33.202 1.00 0.00 C ATOM 553 O ILE A 36 85.173 -4.760 34.307 1.00 0.00 O ATOM 554 CB ILE A 36 85.782 -3.987 31.117 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.947 -3.604 30.198 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.224 -2.721 31.770 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.418 -2.856 28.971 1.00 0.00 C ATOM 0 H ILE A 36 86.607 -6.261 30.542 1.00 0.00 H new ATOM 0 HA ILE A 36 87.124 -4.467 32.715 1.00 0.00 H new ATOM 0 HB ILE A 36 84.995 -4.475 30.543 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.657 -2.978 30.738 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.485 -4.499 29.885 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.861 -2.043 30.998 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.402 -2.987 32.435 1.00 0.00 H new ATOM 0 HG23 ILE A 36 86.011 -2.230 32.343 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.251 -2.587 28.322 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.725 -3.496 28.425 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.901 -1.952 29.291 1.00 0.00 H new ATOM 569 N VAL A 37 84.284 -6.134 32.842 1.00 0.00 N ATOM 570 CA VAL A 37 83.203 -6.532 33.787 1.00 0.00 C ATOM 571 C VAL A 37 83.853 -7.255 34.966 1.00 0.00 C ATOM 572 O VAL A 37 83.475 -7.084 36.108 1.00 0.00 O ATOM 573 CB VAL A 37 82.227 -7.476 33.076 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.261 -8.084 34.095 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.429 -6.690 32.032 1.00 0.00 C ATOM 0 H VAL A 37 84.248 -6.588 31.930 1.00 0.00 H new ATOM 0 HA VAL A 37 82.655 -5.656 34.135 1.00 0.00 H new ATOM 0 HB VAL A 37 82.788 -8.273 32.588 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.569 -8.754 33.585 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.824 -8.643 34.842 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.700 -7.288 34.585 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.734 -7.360 31.525 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.871 -5.893 32.524 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.113 -6.256 31.302 1.00 0.00 H new ATOM 585 N ALA A 38 84.832 -8.070 34.682 1.00 0.00 N ATOM 586 CA ALA A 38 85.527 -8.830 35.759 1.00 0.00 C ATOM 587 C ALA A 38 86.153 -7.867 36.774 1.00 0.00 C ATOM 588 O ALA A 38 86.356 -8.215 37.920 1.00 0.00 O ATOM 589 CB ALA A 38 86.630 -9.690 35.135 1.00 0.00 C ATOM 0 H ALA A 38 85.183 -8.243 33.740 1.00 0.00 H new ATOM 0 HA ALA A 38 84.802 -9.462 36.272 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.143 -10.249 35.918 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.189 -10.386 34.422 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.345 -9.048 34.620 1.00 0.00 H new ATOM 595 N SER A 39 86.474 -6.666 36.369 1.00 0.00 N ATOM 596 CA SER A 39 87.101 -5.703 37.326 1.00 0.00 C ATOM 597 C SER A 39 86.015 -4.870 38.001 1.00 0.00 C ATOM 598 O SER A 39 86.126 -4.511 39.156 1.00 0.00 O ATOM 599 CB SER A 39 88.049 -4.775 36.566 1.00 0.00 C ATOM 600 OG SER A 39 89.083 -5.546 35.969 1.00 0.00 O ATOM 0 H SER A 39 86.331 -6.311 35.424 1.00 0.00 H new ATOM 0 HA SER A 39 87.657 -6.257 38.082 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.502 -4.225 35.801 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.476 -4.037 37.245 1.00 0.00 H new ATOM 0 HG SER A 39 88.821 -5.795 35.058 1.00 0.00 H new ATOM 606 N CYS A 40 84.959 -4.567 37.302 1.00 0.00 N ATOM 607 CA CYS A 40 83.872 -3.769 37.929 1.00 0.00 C ATOM 608 C CYS A 40 83.344 -4.535 39.141 1.00 0.00 C ATOM 609 O CYS A 40 82.975 -5.685 39.042 1.00 0.00 O ATOM 610 CB CYS A 40 82.744 -3.556 36.923 1.00 0.00 C ATOM 611 SG CYS A 40 81.398 -2.642 37.714 1.00 0.00 S ATOM 0 H CYS A 40 84.802 -4.835 36.330 1.00 0.00 H new ATOM 0 HA CYS A 40 84.255 -2.797 38.240 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.113 -3.005 36.058 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.381 -4.517 36.558 1.00 0.00 H new ATOM 616 N ASP A 41 83.316 -3.913 40.284 1.00 0.00 N ATOM 617 CA ASP A 41 82.829 -4.613 41.507 1.00 0.00 C ATOM 618 C ASP A 41 81.302 -4.728 41.473 1.00 0.00 C ATOM 619 O ASP A 41 80.731 -5.683 41.964 1.00 0.00 O ATOM 620 CB ASP A 41 83.244 -3.809 42.740 1.00 0.00 C ATOM 621 CG ASP A 41 84.762 -3.880 42.909 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.349 -4.834 42.425 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.313 -2.975 43.514 1.00 0.00 O ATOM 0 H ASP A 41 83.610 -2.947 40.427 1.00 0.00 H new ATOM 0 HA ASP A 41 83.262 -5.612 41.546 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.928 -2.771 42.634 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.750 -4.204 43.628 1.00 0.00 H new ATOM 628 N LYS A 42 80.637 -3.754 40.922 1.00 0.00 N ATOM 629 CA LYS A 42 79.147 -3.793 40.883 1.00 0.00 C ATOM 630 C LYS A 42 78.659 -4.870 39.907 1.00 0.00 C ATOM 631 O LYS A 42 77.705 -5.571 40.178 1.00 0.00 O ATOM 632 CB LYS A 42 78.636 -2.424 40.435 1.00 0.00 C ATOM 633 CG LYS A 42 78.967 -1.394 41.517 1.00 0.00 C ATOM 634 CD LYS A 42 78.465 -0.012 41.094 1.00 0.00 C ATOM 635 CE LYS A 42 78.807 1.001 42.188 1.00 0.00 C ATOM 636 NZ LYS A 42 78.470 2.375 41.722 1.00 0.00 N ATOM 0 H LYS A 42 81.060 -2.930 40.495 1.00 0.00 H new ATOM 0 HA LYS A 42 78.766 -4.034 41.875 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.098 -2.140 39.490 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.560 -2.460 40.265 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.506 -1.685 42.461 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.044 -1.363 41.685 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.925 0.283 40.151 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.388 -0.038 40.929 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.253 0.769 43.098 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.867 0.940 42.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.703 3.061 42.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.017 2.595 40.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.454 2.429 41.507 1.00 0.00 H new ATOM 650 N CYS A 43 79.300 -5.018 38.777 1.00 0.00 N ATOM 651 CA CYS A 43 78.857 -6.061 37.802 1.00 0.00 C ATOM 652 C CYS A 43 79.497 -7.404 38.162 1.00 0.00 C ATOM 653 O CYS A 43 79.295 -8.397 37.491 1.00 0.00 O ATOM 654 CB CYS A 43 79.250 -5.658 36.381 1.00 0.00 C ATOM 655 SG CYS A 43 78.378 -4.136 35.925 1.00 0.00 S ATOM 0 H CYS A 43 80.107 -4.465 38.487 1.00 0.00 H new ATOM 0 HA CYS A 43 77.772 -6.155 37.849 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.328 -5.505 36.319 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.000 -6.457 35.682 1.00 0.00 H new ATOM 660 N GLN A 44 80.269 -7.445 39.216 1.00 0.00 N ATOM 661 CA GLN A 44 80.917 -8.728 39.612 1.00 0.00 C ATOM 662 C GLN A 44 79.884 -9.621 40.296 1.00 0.00 C ATOM 663 O GLN A 44 79.447 -10.615 39.751 1.00 0.00 O ATOM 664 CB GLN A 44 82.056 -8.439 40.598 1.00 0.00 C ATOM 665 CG GLN A 44 82.859 -9.716 40.863 1.00 0.00 C ATOM 666 CD GLN A 44 83.750 -10.019 39.657 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.859 -11.154 39.238 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.396 -9.046 39.077 1.00 0.00 N ATOM 0 H GLN A 44 80.478 -6.648 39.817 1.00 0.00 H new ATOM 0 HA GLN A 44 81.312 -9.226 38.727 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.710 -7.666 40.194 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.649 -8.055 41.534 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.469 -9.595 41.758 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.183 -10.551 41.048 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.305 -8.093 39.428 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.992 -9.238 38.272 1.00 0.00 H new ATOM 677 N LEU A 45 79.488 -9.270 41.486 1.00 0.00 N ATOM 678 CA LEU A 45 78.478 -10.091 42.212 1.00 0.00 C ATOM 679 C LEU A 45 77.076 -9.643 41.797 1.00 0.00 C ATOM 680 O LEU A 45 76.833 -8.476 41.567 1.00 0.00 O ATOM 681 CB LEU A 45 78.642 -9.884 43.720 1.00 0.00 C ATOM 682 CG LEU A 45 80.099 -10.129 44.128 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.240 -9.927 45.641 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.515 -11.560 43.757 1.00 0.00 C ATOM 0 H LEU A 45 79.820 -8.448 41.990 1.00 0.00 H new ATOM 0 HA LEU A 45 78.620 -11.144 41.968 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.346 -8.871 43.991 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.985 -10.564 44.262 1.00 0.00 H new ATOM 0 HG LEU A 45 80.744 -9.426 43.602 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.275 -10.100 45.936 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.954 -8.907 45.900 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.591 -10.630 46.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.552 -11.725 44.051 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.873 -12.272 44.276 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.416 -11.700 42.681 1.00 0.00 H new ATOM 696 N LYS A 46 76.143 -10.553 41.716 1.00 0.00 N ATOM 697 CA LYS A 46 74.756 -10.158 41.337 1.00 0.00 C ATOM 698 C LYS A 46 74.060 -9.572 42.563 1.00 0.00 C ATOM 699 O LYS A 46 72.968 -9.045 42.480 1.00 0.00 O ATOM 700 CB LYS A 46 73.973 -11.376 40.840 1.00 0.00 C ATOM 701 CG LYS A 46 74.509 -11.819 39.477 1.00 0.00 C ATOM 702 CD LYS A 46 73.717 -13.037 38.992 1.00 0.00 C ATOM 703 CE LYS A 46 74.211 -13.452 37.604 1.00 0.00 C ATOM 704 NZ LYS A 46 73.661 -12.511 36.587 1.00 0.00 N ATOM 0 H LYS A 46 76.280 -11.548 41.895 1.00 0.00 H new ATOM 0 HA LYS A 46 74.797 -9.419 40.537 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.059 -12.192 41.557 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.914 -11.131 40.762 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.423 -11.005 38.757 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.568 -12.066 39.553 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.836 -13.863 39.693 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.654 -12.801 38.955 1.00 0.00 H new ATOM 0 HE2 LYS A 46 75.301 -13.442 37.575 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.895 -14.471 37.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 73.850 -12.881 35.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.635 -12.414 36.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 74.114 -11.581 36.694 1.00 0.00 H new ATOM 718 N GLY A 47 74.688 -9.660 43.703 1.00 0.00 N ATOM 719 CA GLY A 47 74.073 -9.110 44.942 1.00 0.00 C ATOM 720 C GLY A 47 73.041 -10.103 45.476 1.00 0.00 C ATOM 721 O GLY A 47 72.773 -10.161 46.659 1.00 0.00 O ATOM 0 H GLY A 47 75.604 -10.091 43.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.841 -8.927 45.693 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.598 -8.152 44.732 1.00 0.00 H new ATOM 725 N GLU A 48 72.460 -10.890 44.609 1.00 0.00 N ATOM 726 CA GLU A 48 71.445 -11.888 45.060 1.00 0.00 C ATOM 727 C GLU A 48 72.140 -13.202 45.422 1.00 0.00 C ATOM 728 O GLU A 48 72.759 -13.837 44.594 1.00 0.00 O ATOM 729 CB GLU A 48 70.444 -12.134 43.929 1.00 0.00 C ATOM 730 CG GLU A 48 69.503 -10.934 43.809 1.00 0.00 C ATOM 731 CD GLU A 48 68.599 -11.114 42.588 1.00 0.00 C ATOM 732 OE1 GLU A 48 68.816 -12.062 41.850 1.00 0.00 O ATOM 733 OE2 GLU A 48 67.706 -10.302 42.412 1.00 0.00 O ATOM 0 H GLU A 48 72.645 -10.885 43.606 1.00 0.00 H new ATOM 0 HA GLU A 48 70.922 -11.505 45.937 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.973 -12.290 42.989 1.00 0.00 H new ATOM 0 HB3 GLU A 48 69.871 -13.040 44.127 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.899 -10.841 44.711 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.080 -10.014 43.715 1.00 0.00 H new ATOM 740 N ALA A 49 72.034 -13.617 46.655 1.00 0.00 N ATOM 741 CA ALA A 49 72.682 -14.894 47.068 1.00 0.00 C ATOM 742 C ALA A 49 72.213 -15.277 48.475 1.00 0.00 C ATOM 743 O ALA A 49 72.423 -16.384 48.928 1.00 0.00 O ATOM 744 CB ALA A 49 74.202 -14.720 47.072 1.00 0.00 C ATOM 0 H ALA A 49 71.528 -13.128 47.393 1.00 0.00 H new ATOM 0 HA ALA A 49 72.406 -15.680 46.365 1.00 0.00 H new ATOM 0 HB1 ALA A 49 74.674 -15.655 47.374 1.00 0.00 H new ATOM 0 HB2 ALA A 49 74.540 -14.450 46.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.476 -13.932 47.773 1.00 0.00 H new ATOM 750 N MET A 50 71.591 -14.365 49.173 1.00 0.00 N ATOM 751 CA MET A 50 71.125 -14.675 50.555 1.00 0.00 C ATOM 752 C MET A 50 69.817 -15.470 50.499 1.00 0.00 C ATOM 753 O MET A 50 69.349 -15.979 51.500 1.00 0.00 O ATOM 754 CB MET A 50 70.898 -13.372 51.324 1.00 0.00 C ATOM 755 CG MET A 50 72.239 -12.671 51.555 1.00 0.00 C ATOM 756 SD MET A 50 71.971 -11.149 52.498 1.00 0.00 S ATOM 757 CE MET A 50 73.693 -10.594 52.537 1.00 0.00 C ATOM 0 H MET A 50 71.386 -13.421 48.847 1.00 0.00 H new ATOM 0 HA MET A 50 71.884 -15.270 51.062 1.00 0.00 H new ATOM 0 HB2 MET A 50 70.227 -12.720 50.765 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.416 -13.581 52.279 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.918 -13.331 52.095 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.710 -12.441 50.600 1.00 0.00 H new ATOM 0 HE1 MET A 50 73.759 -9.652 53.082 1.00 0.00 H new ATOM 0 HE2 MET A 50 74.306 -11.345 53.035 1.00 0.00 H new ATOM 0 HE3 MET A 50 74.052 -10.450 51.518 1.00 0.00 H new ATOM 767 N HIS A 51 69.219 -15.582 49.344 1.00 0.00 N ATOM 768 CA HIS A 51 67.941 -16.347 49.238 1.00 0.00 C ATOM 769 C HIS A 51 68.249 -17.840 49.111 1.00 0.00 C ATOM 770 O HIS A 51 69.282 -18.229 48.603 1.00 0.00 O ATOM 771 CB HIS A 51 67.165 -15.880 48.005 1.00 0.00 C ATOM 772 CG HIS A 51 66.831 -14.421 48.148 1.00 0.00 C ATOM 773 ND1 HIS A 51 65.784 -13.976 48.946 1.00 0.00 N ATOM 774 CD2 HIS A 51 67.395 -13.293 47.606 1.00 0.00 C ATOM 775 CE1 HIS A 51 65.754 -12.633 48.861 1.00 0.00 C ATOM 776 NE2 HIS A 51 66.714 -12.170 48.059 1.00 0.00 N ATOM 0 H HIS A 51 69.558 -15.179 48.471 1.00 0.00 H new ATOM 0 HA HIS A 51 67.341 -16.174 50.131 1.00 0.00 H new ATOM 0 HB2 HIS A 51 67.759 -16.042 47.105 1.00 0.00 H new ATOM 0 HB3 HIS A 51 66.252 -16.464 47.894 1.00 0.00 H new ATOM 0 HD2 HIS A 51 68.238 -13.280 46.931 1.00 0.00 H new ATOM 0 HE1 HIS A 51 65.041 -12.008 49.378 1.00 0.00 H new ATOM 0 HE2 HIS A 51 66.908 -11.196 47.827 1.00 0.00 H new ATOM 785 N GLY A 52 67.362 -18.682 49.571 1.00 0.00 N ATOM 786 CA GLY A 52 67.608 -20.149 49.480 1.00 0.00 C ATOM 787 C GLY A 52 66.280 -20.902 49.589 1.00 0.00 C ATOM 788 O GLY A 52 65.351 -20.650 48.847 1.00 0.00 O ATOM 0 H GLY A 52 66.478 -18.416 50.006 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.096 -20.388 48.535 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.283 -20.465 50.276 1.00 0.00 H new ATOM 792 N GLN A 53 66.183 -21.829 50.504 1.00 0.00 N ATOM 793 CA GLN A 53 64.916 -22.601 50.656 1.00 0.00 C ATOM 794 C GLN A 53 64.856 -23.221 52.056 1.00 0.00 C ATOM 795 O GLN A 53 65.772 -23.889 52.491 1.00 0.00 O ATOM 796 CB GLN A 53 64.865 -23.706 49.597 1.00 0.00 C ATOM 797 CG GLN A 53 63.491 -24.381 49.617 1.00 0.00 C ATOM 798 CD GLN A 53 62.431 -23.397 49.120 1.00 0.00 C ATOM 799 OE1 GLN A 53 62.396 -23.060 47.953 1.00 0.00 O ATOM 800 NE2 GLN A 53 61.555 -22.921 49.963 1.00 0.00 N ATOM 0 H GLN A 53 66.927 -22.085 51.153 1.00 0.00 H new ATOM 0 HA GLN A 53 64.064 -21.934 50.524 1.00 0.00 H new ATOM 0 HB2 GLN A 53 65.059 -23.286 48.610 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.645 -24.443 49.789 1.00 0.00 H new ATOM 0 HG2 GLN A 53 63.502 -25.270 48.986 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.251 -24.711 50.628 1.00 0.00 H new ATOM 0 HE21 GLN A 53 61.584 -23.204 50.943 1.00 0.00 H new ATOM 0 HE22 GLN A 53 60.842 -22.267 49.642 1.00 0.00 H new ATOM 809 N VAL A 54 63.780 -22.998 52.766 1.00 0.00 N ATOM 810 CA VAL A 54 63.646 -23.563 54.144 1.00 0.00 C ATOM 811 C VAL A 54 62.930 -24.916 54.076 1.00 0.00 C ATOM 812 O VAL A 54 62.034 -25.115 53.280 1.00 0.00 O ATOM 813 CB VAL A 54 62.827 -22.602 55.010 1.00 0.00 C ATOM 814 CG1 VAL A 54 63.590 -21.287 55.175 1.00 0.00 C ATOM 815 CG2 VAL A 54 61.480 -22.327 54.338 1.00 0.00 C ATOM 0 H VAL A 54 62.983 -22.446 52.449 1.00 0.00 H new ATOM 0 HA VAL A 54 64.637 -23.696 54.579 1.00 0.00 H new ATOM 0 HB VAL A 54 62.659 -23.052 55.989 1.00 0.00 H new ATOM 0 HG11 VAL A 54 63.007 -20.603 55.791 1.00 0.00 H new ATOM 0 HG12 VAL A 54 64.549 -21.481 55.655 1.00 0.00 H new ATOM 0 HG13 VAL A 54 63.759 -20.839 54.196 1.00 0.00 H new ATOM 0 HG21 VAL A 54 60.898 -21.643 54.956 1.00 0.00 H new ATOM 0 HG22 VAL A 54 61.647 -21.879 53.358 1.00 0.00 H new ATOM 0 HG23 VAL A 54 60.934 -23.263 54.221 1.00 0.00 H new ATOM 825 N ASP A 55 63.325 -25.850 54.902 1.00 0.00 N ATOM 826 CA ASP A 55 62.672 -27.194 54.886 1.00 0.00 C ATOM 827 C ASP A 55 61.455 -27.186 55.812 1.00 0.00 C ATOM 828 O ASP A 55 61.586 -27.646 56.934 1.00 0.00 O ATOM 829 CB ASP A 55 63.671 -28.248 55.370 1.00 0.00 C ATOM 830 CG ASP A 55 63.096 -29.645 55.131 1.00 0.00 C ATOM 831 OD1 ASP A 55 61.883 -29.769 55.109 1.00 0.00 O ATOM 832 OD2 ASP A 55 63.879 -30.568 54.980 1.00 0.00 O ATOM 833 OXT ASP A 55 60.412 -26.720 55.383 1.00 0.00 O ATOM 0 H ASP A 55 64.072 -25.740 55.588 1.00 0.00 H new ATOM 0 HA ASP A 55 62.352 -27.429 53.871 1.00 0.00 H new ATOM 0 HB2 ASP A 55 64.617 -28.137 54.841 1.00 0.00 H new ATOM 0 HB3 ASP A 55 63.880 -28.106 56.430 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.883 -11.822 22.184 1.00 0.00 N ATOM 840 CA PHE B 1 94.987 -12.946 22.582 1.00 0.00 C ATOM 841 C PHE B 1 95.545 -14.254 22.021 1.00 0.00 C ATOM 842 O PHE B 1 95.518 -14.491 20.828 1.00 0.00 O ATOM 843 CB PHE B 1 93.582 -12.690 22.033 1.00 0.00 C ATOM 844 CG PHE B 1 93.236 -11.225 22.204 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.043 -10.699 23.488 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.117 -10.389 21.083 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.728 -9.343 23.652 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.803 -9.032 21.250 1.00 0.00 C ATOM 849 CZ PHE B 1 92.609 -8.513 22.534 1.00 0.00 C ATOM 0 H1 PHE B 1 95.322 -10.953 22.074 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.605 -11.677 22.918 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.347 -12.051 21.282 1.00 0.00 H new ATOM 0 HA PHE B 1 94.935 -13.017 23.668 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.535 -12.966 20.980 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.856 -13.311 22.558 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.137 -11.339 24.353 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.267 -10.790 20.092 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.577 -8.940 24.642 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.711 -8.389 20.388 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.367 -7.468 22.662 1.00 0.00 H new ATOM 861 N LEU B 2 96.073 -15.097 22.873 1.00 0.00 N ATOM 862 CA LEU B 2 96.663 -16.388 22.400 1.00 0.00 C ATOM 863 C LEU B 2 95.701 -17.549 22.609 1.00 0.00 C ATOM 864 O LEU B 2 95.064 -17.671 23.629 1.00 0.00 O ATOM 865 CB LEU B 2 97.955 -16.674 23.170 1.00 0.00 C ATOM 866 CG LEU B 2 98.969 -15.546 22.938 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.201 -15.797 23.813 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.386 -15.505 21.456 1.00 0.00 C ATOM 0 H LEU B 2 96.121 -14.946 23.881 1.00 0.00 H new ATOM 0 HA LEU B 2 96.866 -16.291 21.334 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.740 -16.767 24.235 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.377 -17.625 22.846 1.00 0.00 H new ATOM 0 HG LEU B 2 98.515 -14.590 23.201 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.928 -15.000 23.655 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.905 -15.815 24.862 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.648 -16.754 23.546 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.106 -14.701 21.303 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.840 -16.456 21.179 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.507 -15.329 20.836 1.00 0.00 H new ATOM 880 N ASP B 3 95.623 -18.421 21.644 1.00 0.00 N ATOM 881 CA ASP B 3 94.739 -19.608 21.775 1.00 0.00 C ATOM 882 C ASP B 3 95.203 -20.412 22.988 1.00 0.00 C ATOM 883 O ASP B 3 94.409 -20.918 23.755 1.00 0.00 O ATOM 884 CB ASP B 3 94.842 -20.469 20.513 1.00 0.00 C ATOM 885 CG ASP B 3 93.930 -21.689 20.650 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.371 -21.869 21.718 1.00 0.00 O ATOM 887 OD2 ASP B 3 93.799 -22.418 19.680 1.00 0.00 O ATOM 0 H ASP B 3 96.137 -18.361 20.765 1.00 0.00 H new ATOM 0 HA ASP B 3 93.702 -19.297 21.902 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.557 -19.885 19.638 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.873 -20.788 20.361 1.00 0.00 H new ATOM 892 N GLY B 4 96.493 -20.520 23.168 1.00 0.00 N ATOM 893 CA GLY B 4 97.030 -21.279 24.335 1.00 0.00 C ATOM 894 C GLY B 4 96.330 -20.803 25.610 1.00 0.00 C ATOM 895 O GLY B 4 96.441 -21.410 26.657 1.00 0.00 O ATOM 0 H GLY B 4 97.200 -20.114 22.555 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.868 -22.348 24.194 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.106 -21.128 24.418 1.00 0.00 H new ATOM 899 N ILE B 5 95.593 -19.728 25.524 1.00 0.00 N ATOM 900 CA ILE B 5 94.868 -19.221 26.719 1.00 0.00 C ATOM 901 C ILE B 5 93.905 -20.311 27.198 1.00 0.00 C ATOM 902 O ILE B 5 93.653 -20.456 28.378 1.00 0.00 O ATOM 903 CB ILE B 5 94.102 -17.939 26.345 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.080 -16.762 26.289 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.016 -17.643 27.388 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.399 -15.558 25.630 1.00 0.00 C ATOM 0 H ILE B 5 95.463 -19.179 24.674 1.00 0.00 H new ATOM 0 HA ILE B 5 95.566 -18.981 27.521 1.00 0.00 H new ATOM 0 HB ILE B 5 93.631 -18.080 25.372 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.408 -16.501 27.295 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.970 -17.042 25.726 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.483 -16.734 27.110 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.315 -18.476 27.430 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.478 -17.508 28.366 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.097 -14.722 25.591 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.093 -15.822 24.618 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.522 -15.273 26.212 1.00 0.00 H new ATOM 918 N ASP B 6 93.379 -21.089 26.293 1.00 0.00 N ATOM 919 CA ASP B 6 92.451 -22.177 26.704 1.00 0.00 C ATOM 920 C ASP B 6 93.207 -23.119 27.642 1.00 0.00 C ATOM 921 O ASP B 6 92.675 -23.603 28.619 1.00 0.00 O ATOM 922 CB ASP B 6 91.975 -22.950 25.471 1.00 0.00 C ATOM 923 CG ASP B 6 91.011 -24.056 25.904 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.951 -24.335 27.090 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.343 -24.603 25.043 1.00 0.00 O ATOM 0 H ASP B 6 93.551 -21.018 25.290 1.00 0.00 H new ATOM 0 HA ASP B 6 91.581 -21.757 27.209 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.480 -22.274 24.773 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.828 -23.381 24.947 1.00 0.00 H new ATOM 930 N LYS B 7 94.452 -23.373 27.350 1.00 0.00 N ATOM 931 CA LYS B 7 95.259 -24.272 28.221 1.00 0.00 C ATOM 932 C LYS B 7 95.369 -23.652 29.614 1.00 0.00 C ATOM 933 O LYS B 7 95.331 -24.339 30.616 1.00 0.00 O ATOM 934 CB LYS B 7 96.658 -24.445 27.624 1.00 0.00 C ATOM 935 CG LYS B 7 97.446 -25.458 28.458 1.00 0.00 C ATOM 936 CD LYS B 7 98.841 -25.641 27.859 1.00 0.00 C ATOM 937 CE LYS B 7 99.623 -26.652 28.697 1.00 0.00 C ATOM 938 NZ LYS B 7 99.739 -26.154 30.096 1.00 0.00 N ATOM 0 H LYS B 7 94.947 -22.995 26.542 1.00 0.00 H new ATOM 0 HA LYS B 7 94.776 -25.247 28.290 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.585 -24.786 26.591 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.179 -23.488 27.607 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.524 -25.113 29.489 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.921 -26.413 28.480 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.764 -25.988 26.829 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.367 -24.687 27.836 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.119 -27.618 28.684 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.614 -26.804 28.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.558 -26.600 30.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.866 -25.122 30.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.874 -26.392 30.622 1.00 0.00 H new ATOM 952 N ALA B 8 95.508 -22.357 29.687 1.00 0.00 N ATOM 953 CA ALA B 8 95.624 -21.691 31.014 1.00 0.00 C ATOM 954 C ALA B 8 94.378 -21.997 31.850 1.00 0.00 C ATOM 955 O ALA B 8 94.450 -22.135 33.055 1.00 0.00 O ATOM 956 CB ALA B 8 95.748 -20.178 30.816 1.00 0.00 C ATOM 0 H ALA B 8 95.546 -21.730 28.883 1.00 0.00 H new ATOM 0 HA ALA B 8 96.508 -22.063 31.532 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.833 -19.690 31.787 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.635 -19.960 30.222 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.864 -19.805 30.298 1.00 0.00 H new ATOM 962 N GLN B 9 93.236 -22.101 31.227 1.00 0.00 N ATOM 963 CA GLN B 9 91.995 -22.396 32.000 1.00 0.00 C ATOM 964 C GLN B 9 92.147 -23.741 32.717 1.00 0.00 C ATOM 965 O GLN B 9 91.727 -23.906 33.846 1.00 0.00 O ATOM 966 CB GLN B 9 90.801 -22.483 31.043 1.00 0.00 C ATOM 967 CG GLN B 9 90.472 -21.096 30.491 1.00 0.00 C ATOM 968 CD GLN B 9 89.450 -21.231 29.359 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.331 -22.278 28.756 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.701 -20.209 29.046 1.00 0.00 N ATOM 0 H GLN B 9 93.108 -21.995 30.221 1.00 0.00 H new ATOM 0 HA GLN B 9 91.831 -21.601 32.728 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.030 -23.165 30.224 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.935 -22.891 31.565 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.073 -20.462 31.283 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.378 -20.614 30.123 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.801 -19.329 29.553 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.016 -20.290 28.295 1.00 0.00 H new ATOM 979 N GLU B 10 92.734 -24.706 32.063 1.00 0.00 N ATOM 980 CA GLU B 10 92.906 -26.048 32.691 1.00 0.00 C ATOM 981 C GLU B 10 93.742 -25.940 33.969 1.00 0.00 C ATOM 982 O GLU B 10 93.477 -26.607 34.950 1.00 0.00 O ATOM 983 CB GLU B 10 93.607 -26.988 31.704 1.00 0.00 C ATOM 984 CG GLU B 10 93.612 -28.421 32.254 1.00 0.00 C ATOM 985 CD GLU B 10 94.707 -28.566 33.316 1.00 0.00 C ATOM 986 OE1 GLU B 10 95.845 -28.249 33.013 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.386 -28.992 34.413 1.00 0.00 O ATOM 0 H GLU B 10 93.104 -24.623 31.116 1.00 0.00 H new ATOM 0 HA GLU B 10 91.923 -26.443 32.946 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.098 -26.962 30.741 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.630 -26.652 31.533 1.00 0.00 H new ATOM 0 HG2 GLU B 10 92.640 -28.658 32.686 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.782 -29.130 31.444 1.00 0.00 H new ATOM 994 N GLU B 11 94.767 -25.130 33.962 1.00 0.00 N ATOM 995 CA GLU B 11 95.637 -25.009 35.175 1.00 0.00 C ATOM 996 C GLU B 11 95.156 -23.868 36.075 1.00 0.00 C ATOM 997 O GLU B 11 95.730 -23.616 37.116 1.00 0.00 O ATOM 998 CB GLU B 11 97.077 -24.727 34.743 1.00 0.00 C ATOM 999 CG GLU B 11 97.661 -25.970 34.070 1.00 0.00 C ATOM 1000 CD GLU B 11 99.102 -25.685 33.638 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.502 -24.534 33.703 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.780 -26.622 33.253 1.00 0.00 O ATOM 0 H GLU B 11 95.042 -24.547 33.172 1.00 0.00 H new ATOM 0 HA GLU B 11 95.586 -25.945 35.731 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.103 -23.882 34.055 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.680 -24.452 35.608 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.636 -26.815 34.758 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.058 -26.246 33.205 1.00 0.00 H new ATOM 1009 N CYS B 12 94.111 -23.180 35.703 1.00 0.00 N ATOM 1010 CA CYS B 12 93.621 -22.065 36.569 1.00 0.00 C ATOM 1011 C CYS B 12 93.508 -22.568 38.011 1.00 0.00 C ATOM 1012 O CYS B 12 93.946 -21.923 38.943 1.00 0.00 O ATOM 1013 CB CYS B 12 92.248 -21.599 36.080 1.00 0.00 C ATOM 1014 SG CYS B 12 91.690 -20.204 37.090 1.00 0.00 S ATOM 0 H CYS B 12 93.579 -23.337 34.847 1.00 0.00 H new ATOM 0 HA CYS B 12 94.319 -21.229 36.523 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.304 -21.304 35.032 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.531 -22.417 36.143 1.00 0.00 H new ATOM 1019 N GLU B 13 92.934 -23.723 38.194 1.00 0.00 N ATOM 1020 CA GLU B 13 92.799 -24.289 39.566 1.00 0.00 C ATOM 1021 C GLU B 13 94.192 -24.472 40.180 1.00 0.00 C ATOM 1022 O GLU B 13 94.401 -24.226 41.352 1.00 0.00 O ATOM 1023 CB GLU B 13 92.083 -25.639 39.484 1.00 0.00 C ATOM 1024 CG GLU B 13 91.822 -26.173 40.894 1.00 0.00 C ATOM 1025 CD GLU B 13 91.088 -27.511 40.802 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.804 -27.933 39.694 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.823 -28.092 41.841 1.00 0.00 O ATOM 0 H GLU B 13 92.550 -24.303 37.448 1.00 0.00 H new ATOM 0 HA GLU B 13 92.219 -23.611 40.192 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.141 -25.530 38.946 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.690 -26.349 38.923 1.00 0.00 H new ATOM 0 HG2 GLU B 13 92.764 -26.298 41.428 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.227 -25.457 41.462 1.00 0.00 H new ATOM 1034 N LYS B 14 95.146 -24.914 39.400 1.00 0.00 N ATOM 1035 CA LYS B 14 96.523 -25.124 39.938 1.00 0.00 C ATOM 1036 C LYS B 14 97.083 -23.799 40.460 1.00 0.00 C ATOM 1037 O LYS B 14 97.732 -23.755 41.487 1.00 0.00 O ATOM 1038 CB LYS B 14 97.434 -25.673 38.832 1.00 0.00 C ATOM 1039 CG LYS B 14 98.829 -25.957 39.406 1.00 0.00 C ATOM 1040 CD LYS B 14 99.741 -26.504 38.305 1.00 0.00 C ATOM 1041 CE LYS B 14 101.129 -26.783 38.888 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.954 -27.521 37.890 1.00 0.00 N ATOM 0 H LYS B 14 95.030 -25.139 38.412 1.00 0.00 H new ATOM 0 HA LYS B 14 96.482 -25.842 40.757 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.008 -26.586 38.416 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.505 -24.954 38.016 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.254 -25.044 39.822 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.757 -26.676 40.222 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.319 -27.418 37.888 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.815 -25.786 37.488 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.617 -25.846 39.155 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.039 -27.368 39.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.896 -27.709 38.289 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.491 -28.422 37.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.051 -26.947 37.028 1.00 0.00 H new ATOM 1056 N TYR B 15 96.841 -22.714 39.769 1.00 0.00 N ATOM 1057 CA TYR B 15 97.368 -21.400 40.243 1.00 0.00 C ATOM 1058 C TYR B 15 96.400 -20.810 41.271 1.00 0.00 C ATOM 1059 O TYR B 15 96.711 -19.857 41.955 1.00 0.00 O ATOM 1060 CB TYR B 15 97.505 -20.435 39.061 1.00 0.00 C ATOM 1061 CG TYR B 15 98.634 -20.887 38.165 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.951 -20.518 38.462 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.366 -21.674 37.038 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.000 -20.935 37.633 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.415 -22.092 36.210 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.732 -21.722 36.507 1.00 0.00 C ATOM 1067 OH TYR B 15 101.764 -22.133 35.689 1.00 0.00 O ATOM 0 H TYR B 15 96.304 -22.681 38.902 1.00 0.00 H new ATOM 0 HA TYR B 15 98.347 -21.548 40.699 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.572 -20.399 38.498 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.697 -19.425 39.424 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.158 -19.911 39.331 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.350 -21.959 36.807 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.016 -20.649 37.863 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.208 -22.700 35.342 1.00 0.00 H new ATOM 0 HH TYR B 15 102.575 -21.629 35.907 1.00 0.00 H new ATOM 1077 N HIS B 16 95.234 -21.385 41.391 1.00 0.00 N ATOM 1078 CA HIS B 16 94.242 -20.881 42.384 1.00 0.00 C ATOM 1079 C HIS B 16 93.903 -19.415 42.104 1.00 0.00 C ATOM 1080 O HIS B 16 93.675 -19.020 40.978 1.00 0.00 O ATOM 1081 CB HIS B 16 94.813 -21.014 43.800 1.00 0.00 C ATOM 1082 CG HIS B 16 95.400 -22.386 43.977 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.610 -23.508 44.181 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.698 -22.835 43.984 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.432 -24.568 44.301 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.712 -24.209 44.188 1.00 0.00 N ATOM 0 H HIS B 16 94.924 -22.186 40.841 1.00 0.00 H new ATOM 0 HA HIS B 16 93.332 -21.475 42.300 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.577 -20.255 43.968 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.028 -20.845 44.537 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.573 -22.216 43.851 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.097 -25.581 44.468 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.530 -24.816 44.240 1.00 0.00 H new ATOM 1095 N SER B 17 93.847 -18.613 43.133 1.00 0.00 N ATOM 1096 CA SER B 17 93.501 -17.173 42.960 1.00 0.00 C ATOM 1097 C SER B 17 94.743 -16.361 42.576 1.00 0.00 C ATOM 1098 O SER B 17 94.658 -15.175 42.323 1.00 0.00 O ATOM 1099 CB SER B 17 92.940 -16.637 44.277 1.00 0.00 C ATOM 1100 OG SER B 17 91.809 -17.412 44.655 1.00 0.00 O ATOM 0 H SER B 17 94.028 -18.897 44.096 1.00 0.00 H new ATOM 0 HA SER B 17 92.762 -17.080 42.164 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.702 -16.681 45.055 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.658 -15.590 44.166 1.00 0.00 H new ATOM 0 HG SER B 17 91.447 -17.072 45.500 1.00 0.00 H new ATOM 1106 N ASN B 18 95.897 -16.972 42.542 1.00 0.00 N ATOM 1107 CA ASN B 18 97.127 -16.203 42.188 1.00 0.00 C ATOM 1108 C ASN B 18 97.224 -16.051 40.667 1.00 0.00 C ATOM 1109 O ASN B 18 98.004 -16.719 40.018 1.00 0.00 O ATOM 1110 CB ASN B 18 98.362 -16.954 42.689 1.00 0.00 C ATOM 1111 CG ASN B 18 98.406 -16.916 44.216 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.782 -16.078 44.835 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.130 -17.794 44.852 1.00 0.00 N ATOM 0 H ASN B 18 96.042 -17.962 42.742 1.00 0.00 H new ATOM 0 HA ASN B 18 97.076 -15.219 42.653 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.336 -17.987 42.342 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.265 -16.502 42.279 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.173 -17.778 45.871 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.654 -18.497 44.331 1.00 0.00 H new ATOM 1120 N TRP B 19 96.446 -15.175 40.094 1.00 0.00 N ATOM 1121 CA TRP B 19 96.510 -14.985 38.617 1.00 0.00 C ATOM 1122 C TRP B 19 97.826 -14.302 38.237 1.00 0.00 C ATOM 1123 O TRP B 19 98.302 -14.430 37.127 1.00 0.00 O ATOM 1124 CB TRP B 19 95.330 -14.129 38.149 1.00 0.00 C ATOM 1125 CG TRP B 19 95.328 -12.816 38.867 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.679 -12.571 40.029 1.00 0.00 C ATOM 1127 CD2 TRP B 19 95.990 -11.570 38.497 1.00 0.00 C ATOM 1128 NE1 TRP B 19 94.894 -11.254 40.393 1.00 0.00 N ATOM 1129 CE2 TRP B 19 95.698 -10.596 39.483 1.00 0.00 C ATOM 1130 CE3 TRP B 19 96.805 -11.191 37.414 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.196 -9.296 39.396 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.310 -9.883 37.326 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.005 -8.938 38.316 1.00 0.00 C ATOM 0 H TRP B 19 95.772 -14.585 40.581 1.00 0.00 H new ATOM 0 HA TRP B 19 96.459 -15.960 38.132 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.395 -13.964 37.074 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.393 -14.655 38.335 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.089 -13.287 40.582 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.506 -10.821 41.231 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.044 -11.911 36.645 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 95.957 -8.571 40.160 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 97.936 -9.604 36.492 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.396 -7.934 38.243 1.00 0.00 H new ATOM 1144 N ARG B 20 98.415 -13.570 39.143 1.00 0.00 N ATOM 1145 CA ARG B 20 99.693 -12.876 38.819 1.00 0.00 C ATOM 1146 C ARG B 20 100.764 -13.907 38.458 1.00 0.00 C ATOM 1147 O ARG B 20 101.550 -13.709 37.553 1.00 0.00 O ATOM 1148 CB ARG B 20 100.158 -12.070 40.032 1.00 0.00 C ATOM 1149 CG ARG B 20 99.217 -10.882 40.242 1.00 0.00 C ATOM 1150 CD ARG B 20 99.680 -10.064 41.449 1.00 0.00 C ATOM 1151 NE ARG B 20 98.711 -8.958 41.696 1.00 0.00 N ATOM 1152 CZ ARG B 20 98.738 -8.305 42.825 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.622 -8.608 43.734 1.00 0.00 N ATOM 1154 NH2 ARG B 20 97.880 -7.347 43.043 1.00 0.00 N ATOM 0 H ARG B 20 98.068 -13.423 40.091 1.00 0.00 H new ATOM 0 HA ARG B 20 99.533 -12.207 37.973 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.168 -12.702 40.920 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.178 -11.718 39.879 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.202 -10.256 39.350 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.198 -11.236 40.400 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.753 -10.703 42.329 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.675 -9.657 41.267 1.00 0.00 H new ATOM 0 HE ARG B 20 98.026 -8.712 40.981 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.294 -9.356 43.563 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.642 -8.097 44.616 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.189 -7.109 42.331 1.00 0.00 H new ATOM 0 HH22 ARG B 20 97.900 -6.836 43.925 1.00 0.00 H new ATOM 1168 N ALA B 21 100.803 -15.006 39.158 1.00 0.00 N ATOM 1169 CA ALA B 21 101.827 -16.046 38.854 1.00 0.00 C ATOM 1170 C ALA B 21 101.550 -16.642 37.473 1.00 0.00 C ATOM 1171 O ALA B 21 102.451 -16.865 36.690 1.00 0.00 O ATOM 1172 CB ALA B 21 101.765 -17.149 39.915 1.00 0.00 C ATOM 0 H ALA B 21 100.171 -15.230 39.927 1.00 0.00 H new ATOM 0 HA ALA B 21 102.820 -15.596 38.861 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.513 -17.910 39.693 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.963 -16.720 40.897 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.774 -17.603 39.910 1.00 0.00 H new ATOM 1178 N MET B 22 100.308 -16.894 37.164 1.00 0.00 N ATOM 1179 CA MET B 22 99.975 -17.465 35.828 1.00 0.00 C ATOM 1180 C MET B 22 100.394 -16.479 34.735 1.00 0.00 C ATOM 1181 O MET B 22 100.947 -16.855 33.725 1.00 0.00 O ATOM 1182 CB MET B 22 98.467 -17.720 35.750 1.00 0.00 C ATOM 1183 CG MET B 22 98.118 -18.307 34.383 1.00 0.00 C ATOM 1184 SD MET B 22 96.399 -18.870 34.389 1.00 0.00 S ATOM 1185 CE MET B 22 95.628 -17.252 34.630 1.00 0.00 C ATOM 0 H MET B 22 99.510 -16.730 37.778 1.00 0.00 H new ATOM 0 HA MET B 22 100.508 -18.405 35.685 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.162 -18.406 36.540 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.922 -16.789 35.908 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.263 -17.557 33.606 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.783 -19.139 34.152 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.600 -17.281 34.268 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.632 -17.002 35.691 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.187 -16.497 34.077 1.00 0.00 H new ATOM 1195 N ALA B 23 100.143 -15.218 34.936 1.00 0.00 N ATOM 1196 CA ALA B 23 100.528 -14.207 33.910 1.00 0.00 C ATOM 1197 C ALA B 23 102.037 -14.282 33.647 1.00 0.00 C ATOM 1198 O ALA B 23 102.487 -14.169 32.524 1.00 0.00 O ATOM 1199 CB ALA B 23 100.159 -12.811 34.418 1.00 0.00 C ATOM 0 H ALA B 23 99.687 -14.841 35.767 1.00 0.00 H new ATOM 0 HA ALA B 23 99.997 -14.410 32.980 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.438 -12.067 33.672 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.085 -12.761 34.596 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.691 -12.610 35.348 1.00 0.00 H new ATOM 1205 N SER B 24 102.823 -14.465 34.674 1.00 0.00 N ATOM 1206 CA SER B 24 104.302 -14.538 34.482 1.00 0.00 C ATOM 1207 C SER B 24 104.664 -15.779 33.663 1.00 0.00 C ATOM 1208 O SER B 24 105.554 -15.749 32.837 1.00 0.00 O ATOM 1209 CB SER B 24 104.995 -14.611 35.843 1.00 0.00 C ATOM 1210 OG SER B 24 106.397 -14.743 35.648 1.00 0.00 O ATOM 0 H SER B 24 102.506 -14.567 35.638 1.00 0.00 H new ATOM 0 HA SER B 24 104.633 -13.646 33.950 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.779 -13.713 36.423 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.614 -15.458 36.413 1.00 0.00 H new ATOM 0 HG SER B 24 106.845 -14.789 36.518 1.00 0.00 H new ATOM 1216 N ASP B 25 103.993 -16.873 33.892 1.00 0.00 N ATOM 1217 CA ASP B 25 104.314 -18.117 33.133 1.00 0.00 C ATOM 1218 C ASP B 25 103.901 -17.965 31.668 1.00 0.00 C ATOM 1219 O ASP B 25 104.601 -18.392 30.772 1.00 0.00 O ATOM 1220 CB ASP B 25 103.564 -19.295 33.752 1.00 0.00 C ATOM 1221 CG ASP B 25 104.173 -19.630 35.115 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.359 -19.398 35.283 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.444 -20.110 35.966 1.00 0.00 O ATOM 0 H ASP B 25 103.237 -16.961 34.571 1.00 0.00 H new ATOM 0 HA ASP B 25 105.388 -18.295 33.181 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.508 -19.049 33.864 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.621 -20.162 33.094 1.00 0.00 H new ATOM 1228 N PHE B 26 102.773 -17.360 31.413 1.00 0.00 N ATOM 1229 CA PHE B 26 102.322 -17.180 29.998 1.00 0.00 C ATOM 1230 C PHE B 26 102.785 -15.813 29.482 1.00 0.00 C ATOM 1231 O PHE B 26 102.543 -15.451 28.348 1.00 0.00 O ATOM 1232 CB PHE B 26 100.796 -17.286 29.921 1.00 0.00 C ATOM 1233 CG PHE B 26 100.381 -18.720 30.175 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.315 -19.626 29.108 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.072 -19.150 31.473 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.941 -20.955 29.337 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.699 -20.480 31.700 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.633 -21.381 30.633 1.00 0.00 C ATOM 0 H PHE B 26 102.143 -16.982 32.120 1.00 0.00 H new ATOM 0 HA PHE B 26 102.759 -17.961 29.376 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.336 -16.626 30.657 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.446 -16.962 28.941 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.553 -19.298 28.107 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.122 -18.455 32.298 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.890 -21.651 28.513 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.462 -20.810 32.700 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.344 -22.407 30.810 1.00 0.00 H new ATOM 1248 N ASN B 27 103.466 -15.059 30.304 1.00 0.00 N ATOM 1249 CA ASN B 27 103.967 -13.723 29.862 1.00 0.00 C ATOM 1250 C ASN B 27 102.824 -12.899 29.266 1.00 0.00 C ATOM 1251 O ASN B 27 102.969 -12.302 28.218 1.00 0.00 O ATOM 1252 CB ASN B 27 105.052 -13.912 28.798 1.00 0.00 C ATOM 1253 CG ASN B 27 106.230 -14.688 29.390 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.392 -14.721 30.684 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 107.010 -15.273 28.667 1.00 0.00 N flip ATOM 0 H ASN B 27 103.698 -15.311 31.265 1.00 0.00 H new ATOM 0 HA ASN B 27 104.376 -13.198 30.725 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.645 -14.449 27.942 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.390 -12.942 28.434 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.884 -15.248 27.655 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.791 -15.790 29.071 1.00 0.00 H new ATOM 1262 N LEU B 28 101.689 -12.860 29.924 1.00 0.00 N ATOM 1263 CA LEU B 28 100.525 -12.071 29.398 1.00 0.00 C ATOM 1264 C LEU B 28 100.205 -10.924 30.367 1.00 0.00 C ATOM 1265 O LEU B 28 100.461 -11.026 31.550 1.00 0.00 O ATOM 1266 CB LEU B 28 99.307 -12.995 29.299 1.00 0.00 C ATOM 1267 CG LEU B 28 99.435 -13.911 28.069 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.487 -15.108 28.221 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.076 -13.141 26.782 1.00 0.00 C ATOM 0 H LEU B 28 101.517 -13.342 30.806 1.00 0.00 H new ATOM 0 HA LEU B 28 100.769 -11.663 28.417 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.224 -13.598 30.203 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.396 -12.401 29.226 1.00 0.00 H new ATOM 0 HG LEU B 28 100.466 -14.258 27.999 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.578 -15.757 27.350 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.749 -15.668 29.119 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.460 -14.751 28.302 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.172 -13.804 25.922 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.050 -12.780 26.849 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.752 -12.294 26.664 1.00 0.00 H new ATOM 1281 N PRO B 29 99.640 -9.842 29.882 1.00 0.00 N ATOM 1282 CA PRO B 29 99.278 -8.681 30.746 1.00 0.00 C ATOM 1283 C PRO B 29 98.038 -8.986 31.611 1.00 0.00 C ATOM 1284 O PRO B 29 97.182 -9.750 31.210 1.00 0.00 O ATOM 1285 CB PRO B 29 98.980 -7.565 29.734 1.00 0.00 C ATOM 1286 CG PRO B 29 98.503 -8.283 28.513 1.00 0.00 C ATOM 1287 CD PRO B 29 99.287 -9.597 28.468 1.00 0.00 C ATOM 0 HA PRO B 29 100.066 -8.421 31.453 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.222 -6.879 30.112 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.870 -6.972 29.523 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.430 -8.469 28.563 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.682 -7.690 27.616 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.685 -10.409 28.059 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.175 -9.512 27.842 1.00 0.00 H new ATOM 1295 N PRO B 30 97.931 -8.400 32.783 1.00 0.00 N ATOM 1296 CA PRO B 30 96.767 -8.632 33.688 1.00 0.00 C ATOM 1297 C PRO B 30 95.425 -8.709 32.943 1.00 0.00 C ATOM 1298 O PRO B 30 94.467 -9.269 33.439 1.00 0.00 O ATOM 1299 CB PRO B 30 96.794 -7.407 34.608 1.00 0.00 C ATOM 1300 CG PRO B 30 98.240 -7.031 34.709 1.00 0.00 C ATOM 1301 CD PRO B 30 98.898 -7.458 33.385 1.00 0.00 C ATOM 0 HA PRO B 30 96.847 -9.588 34.206 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.202 -6.590 34.195 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.377 -7.640 35.588 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.351 -5.959 34.869 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.712 -7.530 35.555 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.076 -6.601 32.735 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.863 -7.934 33.556 1.00 0.00 H new ATOM 1309 N VAL B 31 95.333 -8.132 31.774 1.00 0.00 N ATOM 1310 CA VAL B 31 94.031 -8.162 31.043 1.00 0.00 C ATOM 1311 C VAL B 31 93.602 -9.608 30.767 1.00 0.00 C ATOM 1312 O VAL B 31 92.496 -10.006 31.075 1.00 0.00 O ATOM 1313 CB VAL B 31 94.164 -7.416 29.706 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.907 -7.654 28.836 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.326 -5.917 29.980 1.00 0.00 C ATOM 0 H VAL B 31 96.093 -7.646 31.298 1.00 0.00 H new ATOM 0 HA VAL B 31 93.278 -7.677 31.665 1.00 0.00 H new ATOM 0 HB VAL B 31 95.037 -7.789 29.171 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.012 -7.121 27.891 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.797 -8.721 28.640 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.025 -7.289 29.363 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.421 -5.383 29.035 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.453 -5.549 30.519 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.220 -5.752 30.582 1.00 0.00 H new ATOM 1325 N VAL B 32 94.460 -10.390 30.175 1.00 0.00 N ATOM 1326 CA VAL B 32 94.089 -11.799 29.866 1.00 0.00 C ATOM 1327 C VAL B 32 94.056 -12.629 31.148 1.00 0.00 C ATOM 1328 O VAL B 32 93.200 -13.470 31.328 1.00 0.00 O ATOM 1329 CB VAL B 32 95.098 -12.394 28.886 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.738 -13.856 28.604 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.060 -11.596 27.581 1.00 0.00 C ATOM 0 H VAL B 32 95.401 -10.115 29.892 1.00 0.00 H new ATOM 0 HA VAL B 32 93.097 -11.814 29.414 1.00 0.00 H new ATOM 0 HB VAL B 32 96.099 -12.347 29.316 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.459 -14.280 27.905 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.760 -14.422 29.535 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.739 -13.908 28.171 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.778 -12.016 26.877 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.059 -11.647 27.152 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.315 -10.556 27.783 1.00 0.00 H new ATOM 1341 N ALA B 33 94.986 -12.415 32.038 1.00 0.00 N ATOM 1342 CA ALA B 33 95.001 -13.214 33.296 1.00 0.00 C ATOM 1343 C ALA B 33 93.695 -12.991 34.057 1.00 0.00 C ATOM 1344 O ALA B 33 93.031 -13.926 34.455 1.00 0.00 O ATOM 1345 CB ALA B 33 96.184 -12.777 34.162 1.00 0.00 C ATOM 0 H ALA B 33 95.732 -11.725 31.950 1.00 0.00 H new ATOM 0 HA ALA B 33 95.101 -14.272 33.055 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.196 -13.361 35.083 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.114 -12.940 33.617 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.086 -11.719 34.405 1.00 0.00 H new ATOM 1351 N LYS B 34 93.313 -11.764 34.250 1.00 0.00 N ATOM 1352 CA LYS B 34 92.041 -11.486 34.972 1.00 0.00 C ATOM 1353 C LYS B 34 90.864 -12.116 34.225 1.00 0.00 C ATOM 1354 O LYS B 34 89.947 -12.645 34.823 1.00 0.00 O ATOM 1355 CB LYS B 34 91.829 -9.976 35.075 1.00 0.00 C ATOM 1356 CG LYS B 34 92.838 -9.383 36.059 1.00 0.00 C ATOM 1357 CD LYS B 34 92.624 -7.871 36.160 1.00 0.00 C ATOM 1358 CE LYS B 34 93.534 -7.290 37.247 1.00 0.00 C ATOM 1359 NZ LYS B 34 92.907 -7.511 38.582 1.00 0.00 N ATOM 0 H LYS B 34 93.826 -10.939 33.939 1.00 0.00 H new ATOM 0 HA LYS B 34 92.100 -11.916 35.972 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.947 -9.514 34.095 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.813 -9.763 35.407 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.720 -9.844 37.040 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.854 -9.596 35.727 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.840 -7.399 35.201 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.581 -7.657 36.393 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.514 -7.765 37.209 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.689 -6.225 37.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.090 -6.689 39.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 91.881 -7.635 38.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.312 -8.363 39.019 1.00 0.00 H new ATOM 1373 N GLU B 35 90.871 -12.048 32.923 1.00 0.00 N ATOM 1374 CA GLU B 35 89.740 -12.625 32.137 1.00 0.00 C ATOM 1375 C GLU B 35 89.629 -14.131 32.390 1.00 0.00 C ATOM 1376 O GLU B 35 88.544 -14.667 32.507 1.00 0.00 O ATOM 1377 CB GLU B 35 89.982 -12.382 30.644 1.00 0.00 C ATOM 1378 CG GLU B 35 88.748 -12.810 29.837 1.00 0.00 C ATOM 1379 CD GLU B 35 88.721 -14.335 29.692 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.663 -14.874 29.135 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.759 -14.936 30.142 1.00 0.00 O ATOM 0 H GLU B 35 91.610 -11.618 32.367 1.00 0.00 H new ATOM 0 HA GLU B 35 88.813 -12.143 32.448 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.194 -11.327 30.468 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.856 -12.943 30.313 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.841 -12.468 30.335 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.767 -12.343 28.852 1.00 0.00 H new ATOM 1388 N ILE B 36 90.731 -14.825 32.473 1.00 0.00 N ATOM 1389 CA ILE B 36 90.654 -16.293 32.713 1.00 0.00 C ATOM 1390 C ILE B 36 89.949 -16.532 34.051 1.00 0.00 C ATOM 1391 O ILE B 36 89.100 -17.392 34.174 1.00 0.00 O ATOM 1392 CB ILE B 36 92.068 -16.874 32.735 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.693 -16.714 31.345 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.012 -18.361 33.089 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.185 -17.054 31.402 1.00 0.00 C ATOM 0 H ILE B 36 91.673 -14.443 32.386 1.00 0.00 H new ATOM 0 HA ILE B 36 90.091 -16.784 31.919 1.00 0.00 H new ATOM 0 HB ILE B 36 92.665 -16.348 33.480 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.189 -17.367 30.633 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.557 -15.692 30.991 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.022 -18.770 33.103 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.557 -18.484 34.072 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.417 -18.890 32.345 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.623 -16.938 30.410 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.685 -16.382 32.100 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.311 -18.084 31.736 1.00 0.00 H new ATOM 1407 N VAL B 37 90.268 -15.747 35.042 1.00 0.00 N ATOM 1408 CA VAL B 37 89.591 -15.890 36.363 1.00 0.00 C ATOM 1409 C VAL B 37 88.116 -15.537 36.174 1.00 0.00 C ATOM 1410 O VAL B 37 87.234 -16.160 36.731 1.00 0.00 O ATOM 1411 CB VAL B 37 90.229 -14.925 37.369 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.390 -14.880 38.648 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.641 -15.407 37.710 1.00 0.00 C ATOM 0 H VAL B 37 90.971 -15.010 34.994 1.00 0.00 H new ATOM 0 HA VAL B 37 89.692 -16.908 36.739 1.00 0.00 H new ATOM 0 HB VAL B 37 90.275 -13.928 36.931 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.848 -14.193 39.359 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.383 -14.538 38.410 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.341 -15.877 39.086 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.096 -14.722 38.425 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.590 -16.405 38.145 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.244 -15.438 36.803 1.00 0.00 H new ATOM 1423 N ALA B 38 87.854 -14.529 35.390 1.00 0.00 N ATOM 1424 CA ALA B 38 86.450 -14.097 35.144 1.00 0.00 C ATOM 1425 C ALA B 38 85.638 -15.243 34.529 1.00 0.00 C ATOM 1426 O ALA B 38 84.433 -15.296 34.664 1.00 0.00 O ATOM 1427 CB ALA B 38 86.457 -12.906 34.178 1.00 0.00 C ATOM 0 H ALA B 38 88.562 -13.979 34.903 1.00 0.00 H new ATOM 0 HA ALA B 38 85.993 -13.812 36.092 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.433 -12.583 33.992 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.023 -12.084 34.617 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.920 -13.203 33.237 1.00 0.00 H new ATOM 1433 N SER B 39 86.280 -16.155 33.844 1.00 0.00 N ATOM 1434 CA SER B 39 85.521 -17.280 33.216 1.00 0.00 C ATOM 1435 C SER B 39 85.464 -18.463 34.178 1.00 0.00 C ATOM 1436 O SER B 39 84.489 -19.185 34.227 1.00 0.00 O ATOM 1437 CB SER B 39 86.228 -17.712 31.931 1.00 0.00 C ATOM 1438 OG SER B 39 86.250 -16.624 31.018 1.00 0.00 O ATOM 0 H SER B 39 87.289 -16.170 33.693 1.00 0.00 H new ATOM 0 HA SER B 39 84.508 -16.948 32.988 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.245 -18.036 32.153 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.712 -18.564 31.487 1.00 0.00 H new ATOM 0 HG SER B 39 87.135 -16.203 31.032 1.00 0.00 H new ATOM 1444 N CYS B 40 86.488 -18.663 34.957 1.00 0.00 N ATOM 1445 CA CYS B 40 86.463 -19.795 35.922 1.00 0.00 C ATOM 1446 C CYS B 40 85.277 -19.604 36.865 1.00 0.00 C ATOM 1447 O CYS B 40 85.125 -18.568 37.476 1.00 0.00 O ATOM 1448 CB CYS B 40 87.762 -19.816 36.723 1.00 0.00 C ATOM 1449 SG CYS B 40 87.695 -21.155 37.939 1.00 0.00 S ATOM 0 H CYS B 40 87.336 -18.096 34.968 1.00 0.00 H new ATOM 0 HA CYS B 40 86.364 -20.740 35.387 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.612 -19.958 36.055 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.908 -18.860 37.226 1.00 0.00 H new ATOM 1454 N ASP B 41 84.430 -20.587 36.978 1.00 0.00 N ATOM 1455 CA ASP B 41 83.243 -20.454 37.869 1.00 0.00 C ATOM 1456 C ASP B 41 83.666 -20.579 39.334 1.00 0.00 C ATOM 1457 O ASP B 41 83.091 -19.966 40.213 1.00 0.00 O ATOM 1458 CB ASP B 41 82.244 -21.564 37.537 1.00 0.00 C ATOM 1459 CG ASP B 41 81.641 -21.313 36.154 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.631 -20.170 35.731 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.207 -22.271 35.536 1.00 0.00 O ATOM 0 H ASP B 41 84.508 -21.480 36.491 1.00 0.00 H new ATOM 0 HA ASP B 41 82.785 -19.477 37.714 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.742 -22.533 37.558 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.455 -21.595 38.289 1.00 0.00 H new ATOM 1466 N LYS B 42 84.650 -21.389 39.608 1.00 0.00 N ATOM 1467 CA LYS B 42 85.094 -21.579 41.019 1.00 0.00 C ATOM 1468 C LYS B 42 85.795 -20.319 41.541 1.00 0.00 C ATOM 1469 O LYS B 42 85.603 -19.925 42.674 1.00 0.00 O ATOM 1470 CB LYS B 42 86.057 -22.765 41.071 1.00 0.00 C ATOM 1471 CG LYS B 42 85.289 -24.043 40.732 1.00 0.00 C ATOM 1472 CD LYS B 42 86.230 -25.247 40.777 1.00 0.00 C ATOM 1473 CE LYS B 42 85.443 -26.514 40.436 1.00 0.00 C ATOM 1474 NZ LYS B 42 86.377 -27.668 40.318 1.00 0.00 N ATOM 0 H LYS B 42 85.168 -21.929 38.915 1.00 0.00 H new ATOM 0 HA LYS B 42 84.225 -21.770 41.648 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.874 -22.618 40.365 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.503 -22.845 42.062 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.471 -24.184 41.439 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.843 -23.957 39.741 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.048 -25.111 40.069 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.677 -25.338 41.767 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.701 -26.712 41.209 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.900 -26.376 39.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.839 -28.528 40.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.069 -27.479 39.565 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.876 -27.805 41.220 1.00 0.00 H new ATOM 1488 N CYS B 43 86.600 -19.680 40.733 1.00 0.00 N ATOM 1489 CA CYS B 43 87.297 -18.444 41.204 1.00 0.00 C ATOM 1490 C CYS B 43 86.386 -17.231 41.004 1.00 0.00 C ATOM 1491 O CYS B 43 86.754 -16.111 41.297 1.00 0.00 O ATOM 1492 CB CYS B 43 88.604 -18.250 40.434 1.00 0.00 C ATOM 1493 SG CYS B 43 89.719 -19.631 40.787 1.00 0.00 S ATOM 0 H CYS B 43 86.805 -19.957 39.773 1.00 0.00 H new ATOM 0 HA CYS B 43 87.528 -18.548 42.264 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.404 -18.194 39.364 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.072 -17.308 40.721 1.00 0.00 H new ATOM 1498 N GLN B 44 85.196 -17.442 40.505 1.00 0.00 N ATOM 1499 CA GLN B 44 84.266 -16.296 40.289 1.00 0.00 C ATOM 1500 C GLN B 44 83.665 -15.883 41.630 1.00 0.00 C ATOM 1501 O GLN B 44 83.984 -14.844 42.174 1.00 0.00 O ATOM 1502 CB GLN B 44 83.134 -16.734 39.352 1.00 0.00 C ATOM 1503 CG GLN B 44 82.283 -15.524 38.953 1.00 0.00 C ATOM 1504 CD GLN B 44 83.035 -14.687 37.918 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.642 -15.223 37.012 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.018 -13.387 38.011 1.00 0.00 N ATOM 0 H GLN B 44 84.829 -18.356 40.239 1.00 0.00 H new ATOM 0 HA GLN B 44 84.809 -15.460 39.849 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.550 -17.205 38.462 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.511 -17.480 39.846 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.329 -15.857 38.543 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.059 -14.919 39.831 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.509 -12.937 38.771 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.514 -12.820 37.323 1.00 0.00 H new ATOM 1515 N LEU B 45 82.798 -16.692 42.170 1.00 0.00 N ATOM 1516 CA LEU B 45 82.173 -16.357 43.480 1.00 0.00 C ATOM 1517 C LEU B 45 83.080 -16.847 44.610 1.00 0.00 C ATOM 1518 O LEU B 45 83.713 -17.879 44.504 1.00 0.00 O ATOM 1519 CB LEU B 45 80.814 -17.055 43.592 1.00 0.00 C ATOM 1520 CG LEU B 45 79.959 -16.739 42.360 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.602 -17.437 42.495 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.750 -15.221 42.242 1.00 0.00 C ATOM 0 H LEU B 45 82.494 -17.575 41.759 1.00 0.00 H new ATOM 0 HA LEU B 45 82.038 -15.278 43.553 1.00 0.00 H new ATOM 0 HB2 LEU B 45 80.955 -18.132 43.680 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.300 -16.726 44.495 1.00 0.00 H new ATOM 0 HG LEU B 45 80.468 -17.097 41.465 1.00 0.00 H new ATOM 0 HD11 LEU B 45 77.990 -17.215 41.621 1.00 0.00 H new ATOM 0 HD12 LEU B 45 78.753 -18.514 42.569 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.096 -17.079 43.392 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.141 -15.005 41.364 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.243 -14.853 43.134 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.717 -14.727 42.144 1.00 0.00 H new ATOM 1534 N LYS B 46 83.140 -16.130 45.700 1.00 0.00 N ATOM 1535 CA LYS B 46 83.994 -16.583 46.834 1.00 0.00 C ATOM 1536 C LYS B 46 83.250 -17.671 47.606 1.00 0.00 C ATOM 1537 O LYS B 46 83.791 -18.303 48.490 1.00 0.00 O ATOM 1538 CB LYS B 46 84.300 -15.410 47.772 1.00 0.00 C ATOM 1539 CG LYS B 46 85.259 -14.434 47.088 1.00 0.00 C ATOM 1540 CD LYS B 46 85.557 -13.266 48.035 1.00 0.00 C ATOM 1541 CE LYS B 46 86.558 -12.313 47.377 1.00 0.00 C ATOM 1542 NZ LYS B 46 87.923 -12.908 47.451 1.00 0.00 N ATOM 0 H LYS B 46 82.638 -15.256 45.853 1.00 0.00 H new ATOM 0 HA LYS B 46 84.934 -16.973 46.445 1.00 0.00 H new ATOM 0 HB2 LYS B 46 83.376 -14.898 48.041 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.741 -15.779 48.698 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.184 -14.944 46.819 1.00 0.00 H new ATOM 0 HG3 LYS B 46 84.819 -14.063 46.162 1.00 0.00 H new ATOM 0 HD2 LYS B 46 84.636 -12.734 48.273 1.00 0.00 H new ATOM 0 HD3 LYS B 46 85.961 -13.641 48.975 1.00 0.00 H new ATOM 0 HE2 LYS B 46 86.281 -12.137 46.338 1.00 0.00 H new ATOM 0 HE3 LYS B 46 86.542 -11.346 47.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 88.628 -12.194 47.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.111 -13.226 48.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 87.984 -13.719 46.803 1.00 0.00 H new ATOM 1556 N GLY B 47 82.007 -17.892 47.274 1.00 0.00 N ATOM 1557 CA GLY B 47 81.217 -18.937 47.982 1.00 0.00 C ATOM 1558 C GLY B 47 80.723 -18.378 49.317 1.00 0.00 C ATOM 1559 O GLY B 47 79.703 -18.789 49.833 1.00 0.00 O ATOM 0 H GLY B 47 81.504 -17.392 46.541 1.00 0.00 H new ATOM 0 HA2 GLY B 47 80.371 -19.247 47.369 1.00 0.00 H new ATOM 0 HA3 GLY B 47 81.831 -19.822 48.150 1.00 0.00 H new ATOM 1563 N GLU B 48 81.438 -17.439 49.876 1.00 0.00 N ATOM 1564 CA GLU B 48 81.011 -16.842 51.177 1.00 0.00 C ATOM 1565 C GLU B 48 80.090 -15.649 50.919 1.00 0.00 C ATOM 1566 O GLU B 48 80.482 -14.669 50.315 1.00 0.00 O ATOM 1567 CB GLU B 48 82.250 -16.375 51.947 1.00 0.00 C ATOM 1568 CG GLU B 48 82.986 -17.589 52.517 1.00 0.00 C ATOM 1569 CD GLU B 48 84.298 -17.135 53.160 1.00 0.00 C ATOM 1570 OE1 GLU B 48 84.624 -15.967 53.032 1.00 0.00 O ATOM 1571 OE2 GLU B 48 84.954 -17.965 53.769 1.00 0.00 O ATOM 0 H GLU B 48 82.301 -17.058 49.488 1.00 0.00 H new ATOM 0 HA GLU B 48 80.474 -17.589 51.762 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.911 -15.813 51.287 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.958 -15.702 52.753 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.362 -18.092 53.255 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.187 -18.310 51.725 1.00 0.00 H new ATOM 1578 N ALA B 49 78.871 -15.719 51.380 1.00 0.00 N ATOM 1579 CA ALA B 49 77.929 -14.584 51.169 1.00 0.00 C ATOM 1580 C ALA B 49 76.665 -14.806 52.005 1.00 0.00 C ATOM 1581 O ALA B 49 75.862 -13.911 52.179 1.00 0.00 O ATOM 1582 CB ALA B 49 77.552 -14.499 49.690 1.00 0.00 C ATOM 0 H ALA B 49 78.487 -16.513 51.893 1.00 0.00 H new ATOM 0 HA ALA B 49 78.409 -13.655 51.475 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.863 -13.668 49.537 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.451 -14.339 49.094 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.073 -15.429 49.383 1.00 0.00 H new ATOM 1588 N MET B 50 76.475 -15.994 52.512 1.00 0.00 N ATOM 1589 CA MET B 50 75.253 -16.270 53.322 1.00 0.00 C ATOM 1590 C MET B 50 75.433 -15.728 54.743 1.00 0.00 C ATOM 1591 O MET B 50 74.499 -15.679 55.519 1.00 0.00 O ATOM 1592 CB MET B 50 75.006 -17.779 53.379 1.00 0.00 C ATOM 1593 CG MET B 50 74.635 -18.292 51.986 1.00 0.00 C ATOM 1594 SD MET B 50 74.309 -20.072 52.065 1.00 0.00 S ATOM 1595 CE MET B 50 73.958 -20.321 50.306 1.00 0.00 C ATOM 0 H MET B 50 77.111 -16.784 52.401 1.00 0.00 H new ATOM 0 HA MET B 50 74.399 -15.777 52.857 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.898 -18.290 53.740 1.00 0.00 H new ATOM 0 HB3 MET B 50 74.205 -18.000 54.084 1.00 0.00 H new ATOM 0 HG2 MET B 50 73.755 -17.766 51.616 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.445 -18.091 51.285 1.00 0.00 H new ATOM 0 HE1 MET B 50 73.727 -21.371 50.126 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.106 -19.707 50.014 1.00 0.00 H new ATOM 0 HE3 MET B 50 74.830 -20.036 49.717 1.00 0.00 H new ATOM 1605 N HIS B 51 76.622 -15.318 55.095 1.00 0.00 N ATOM 1606 CA HIS B 51 76.849 -14.778 56.469 1.00 0.00 C ATOM 1607 C HIS B 51 76.424 -13.309 56.518 1.00 0.00 C ATOM 1608 O HIS B 51 76.479 -12.604 55.530 1.00 0.00 O ATOM 1609 CB HIS B 51 78.330 -14.895 56.829 1.00 0.00 C ATOM 1610 CG HIS B 51 78.734 -16.344 56.815 1.00 0.00 C ATOM 1611 ND1 HIS B 51 78.435 -17.205 57.863 1.00 0.00 N ATOM 1612 CD2 HIS B 51 79.408 -17.100 55.890 1.00 0.00 C ATOM 1613 CE1 HIS B 51 78.925 -18.417 57.544 1.00 0.00 C ATOM 1614 NE2 HIS B 51 79.526 -18.405 56.354 1.00 0.00 N ATOM 0 H HIS B 51 77.445 -15.333 54.493 1.00 0.00 H new ATOM 0 HA HIS B 51 76.258 -15.350 57.184 1.00 0.00 H new ATOM 0 HB2 HIS B 51 78.934 -14.331 56.119 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.511 -14.465 57.814 1.00 0.00 H new ATOM 0 HD2 HIS B 51 79.788 -16.737 54.947 1.00 0.00 H new ATOM 0 HE1 HIS B 51 78.842 -19.291 58.174 1.00 0.00 H new ATOM 0 HE2 HIS B 51 79.978 -19.189 55.883 1.00 0.00 H new ATOM 1623 N GLY B 52 76.001 -12.840 57.662 1.00 0.00 N ATOM 1624 CA GLY B 52 75.572 -11.416 57.772 1.00 0.00 C ATOM 1625 C GLY B 52 75.620 -10.974 59.236 1.00 0.00 C ATOM 1626 O GLY B 52 76.634 -11.091 59.897 1.00 0.00 O ATOM 0 H GLY B 52 75.934 -13.381 58.524 1.00 0.00 H new ATOM 0 HA2 GLY B 52 76.223 -10.783 57.169 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.562 -11.299 57.380 1.00 0.00 H new ATOM 1630 N GLN B 53 74.534 -10.461 59.749 1.00 0.00 N ATOM 1631 CA GLN B 53 74.519 -10.006 61.169 1.00 0.00 C ATOM 1632 C GLN B 53 73.074 -9.941 61.673 1.00 0.00 C ATOM 1633 O GLN B 53 72.219 -9.331 61.062 1.00 0.00 O ATOM 1634 CB GLN B 53 75.166 -8.620 61.266 1.00 0.00 C ATOM 1635 CG GLN B 53 75.330 -8.227 62.737 1.00 0.00 C ATOM 1636 CD GLN B 53 76.378 -9.128 63.394 1.00 0.00 C ATOM 1637 OE1 GLN B 53 77.552 -9.032 63.097 1.00 0.00 O ATOM 1638 NE2 GLN B 53 76.001 -10.005 64.284 1.00 0.00 N ATOM 0 H GLN B 53 73.656 -10.337 59.245 1.00 0.00 H new ATOM 0 HA GLN B 53 75.080 -10.710 61.783 1.00 0.00 H new ATOM 0 HB2 GLN B 53 76.137 -8.626 60.771 1.00 0.00 H new ATOM 0 HB3 GLN B 53 74.550 -7.884 60.750 1.00 0.00 H new ATOM 0 HG2 GLN B 53 75.634 -7.183 62.813 1.00 0.00 H new ATOM 0 HG3 GLN B 53 74.377 -8.321 63.258 1.00 0.00 H new ATOM 0 HE21 GLN B 53 75.016 -10.086 64.534 1.00 0.00 H new ATOM 0 HE22 GLN B 53 76.692 -10.609 64.729 1.00 0.00 H new ATOM 1647 N VAL B 54 72.796 -10.570 62.785 1.00 0.00 N ATOM 1648 CA VAL B 54 71.409 -10.557 63.340 1.00 0.00 C ATOM 1649 C VAL B 54 71.264 -9.403 64.335 1.00 0.00 C ATOM 1650 O VAL B 54 72.181 -9.080 65.063 1.00 0.00 O ATOM 1651 CB VAL B 54 71.139 -11.881 64.061 1.00 0.00 C ATOM 1652 CG1 VAL B 54 71.172 -13.029 63.051 1.00 0.00 C ATOM 1653 CG2 VAL B 54 72.214 -12.112 65.127 1.00 0.00 C ATOM 0 H VAL B 54 73.474 -11.096 63.336 1.00 0.00 H new ATOM 0 HA VAL B 54 70.695 -10.428 62.526 1.00 0.00 H new ATOM 0 HB VAL B 54 70.158 -11.841 64.535 1.00 0.00 H new ATOM 0 HG11 VAL B 54 70.980 -13.971 63.565 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.407 -12.867 62.291 1.00 0.00 H new ATOM 0 HG13 VAL B 54 72.152 -13.068 62.576 1.00 0.00 H new ATOM 0 HG21 VAL B 54 72.021 -13.054 65.640 1.00 0.00 H new ATOM 0 HG22 VAL B 54 73.195 -12.151 64.652 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.192 -11.295 65.849 1.00 0.00 H new ATOM 1663 N ASP B 55 70.118 -8.773 64.369 1.00 0.00 N ATOM 1664 CA ASP B 55 69.912 -7.634 65.313 1.00 0.00 C ATOM 1665 C ASP B 55 69.412 -8.167 66.657 1.00 0.00 C ATOM 1666 O ASP B 55 68.213 -8.119 66.883 1.00 0.00 O ATOM 1667 CB ASP B 55 68.872 -6.673 64.730 1.00 0.00 C ATOM 1668 CG ASP B 55 68.831 -5.394 65.566 1.00 0.00 C ATOM 1669 OD1 ASP B 55 69.155 -5.466 66.740 1.00 0.00 O ATOM 1670 OD2 ASP B 55 68.474 -4.363 65.020 1.00 0.00 O ATOM 1671 OXT ASP B 55 70.235 -8.612 67.439 1.00 0.00 O ATOM 0 H ASP B 55 69.315 -8.999 63.783 1.00 0.00 H new ATOM 0 HA ASP B 55 70.856 -7.108 65.459 1.00 0.00 H new ATOM 0 HB2 ASP B 55 69.121 -6.436 63.696 1.00 0.00 H new ATOM 0 HB3 ASP B 55 67.890 -7.146 64.721 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.870 -2.062 35.765 1.00 0.00 CD HETATM 1678 CD CD B 56 90.077 -21.243 38.832 1.00 0.00 CD