USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 680 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: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 148:sc= 0.966 (180deg=0.303) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0283 K(o=-0.028,f=-1.4!) USER MOD Single : A 12 CYS SG : rot 160:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.288) USER MOD Single : A 15 TYR OH : rot -55:sc= 0.642 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.74 F(o=-1.3,f=-0.74) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0376 K(o=-0.038,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 154:sc= -0.187 (180deg=-1.33!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.295 F(o=-2.5!,f=-0.3) USER MOD Single : A 34 LYS NZ :NH3+ -118:sc= 0.00137 (180deg=-0.182) USER MOD Single : A 39 SER OG : rot 114:sc= 0.998 USER MOD Single : A 42 LYS NZ :NH3+ 167:sc= 0.15 (180deg=0.0945) USER MOD Single : A 44 GLN :FLIP amide:sc= -1.37 F(o=-2.4!,f=-1.4) USER MOD Single : B 1 PHE N :NH3+ 136:sc= 0.946 (180deg=0.328) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.4!) USER MOD Single : B 12 CYS SG : rot 160:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.299) USER MOD Single : B 15 TYR OH : rot -34:sc= 0.686 USER MOD Single : B 16 HIS :FLIP no HD1:sc= -0.75 F(o=-1.3,f=-0.75) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 155:sc= -0.237 (180deg=-1.41!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.27 F(o=-2.4!,f=-0.27) USER MOD Single : B 34 LYS NZ :NH3+ -118:sc=0.000257 (180deg=-0.163) USER MOD Single : B 39 SER OG : rot 101:sc= 0.994 USER MOD Single : B 42 LYS NZ :NH3+ 166:sc= 0.158 (180deg=0.0952) USER MOD Single : B 44 GLN : amide:sc= -1.1 K(o=-1.1,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.176 -4.701 23.774 1.00 0.00 N ATOM 2 CA PHE A 1 94.915 -3.978 25.050 1.00 0.00 C ATOM 3 C PHE A 1 95.053 -2.475 24.810 1.00 0.00 C ATOM 4 O PHE A 1 96.141 -1.961 24.642 1.00 0.00 O ATOM 5 CB PHE A 1 95.924 -4.424 26.110 1.00 0.00 C ATOM 6 CG PHE A 1 96.086 -5.929 26.058 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.038 -6.763 26.472 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.284 -6.490 25.595 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.191 -8.155 26.423 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.436 -7.881 25.548 1.00 0.00 C ATOM 11 CZ PHE A 1 96.390 -8.713 25.962 1.00 0.00 C ATOM 0 H1 PHE A 1 95.612 -5.622 23.980 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.279 -4.848 23.268 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.819 -4.138 23.182 1.00 0.00 H new ATOM 0 HA PHE A 1 93.907 -4.203 25.399 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.885 -3.939 25.938 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.585 -4.119 27.100 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.114 -6.333 26.828 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.091 -5.848 25.274 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.384 -8.798 26.741 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.360 -8.312 25.192 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.507 -9.786 25.926 1.00 0.00 H new ATOM 23 N LEU A 2 93.953 -1.769 24.775 1.00 0.00 N ATOM 24 CA LEU A 2 94.000 -0.295 24.525 1.00 0.00 C ATOM 25 C LEU A 2 93.866 0.481 25.830 1.00 0.00 C ATOM 26 O LEU A 2 93.129 0.115 26.712 1.00 0.00 O ATOM 27 CB LEU A 2 92.858 0.098 23.585 1.00 0.00 C ATOM 28 CG LEU A 2 92.982 -0.668 22.261 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.793 -0.308 21.364 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.296 -0.294 21.551 1.00 0.00 C ATOM 0 H LEU A 2 93.017 -2.152 24.910 1.00 0.00 H new ATOM 0 HA LEU A 2 94.961 -0.051 24.071 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.898 -0.121 24.053 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.883 1.171 23.398 1.00 0.00 H new ATOM 0 HG LEU A 2 92.986 -1.739 22.463 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.873 -0.848 20.420 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.864 -0.584 21.863 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.795 0.765 21.170 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.372 -0.844 20.613 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.307 0.776 21.346 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.141 -0.549 22.191 1.00 0.00 H new ATOM 42 N ASP A 3 94.570 1.571 25.940 1.00 0.00 N ATOM 43 CA ASP A 3 94.482 2.401 27.172 1.00 0.00 C ATOM 44 C ASP A 3 93.037 2.866 27.342 1.00 0.00 C ATOM 45 O ASP A 3 92.505 2.894 28.435 1.00 0.00 O ATOM 46 CB ASP A 3 95.401 3.620 27.044 1.00 0.00 C ATOM 47 CG ASP A 3 96.863 3.171 27.106 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.101 2.045 27.508 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.721 3.967 26.759 1.00 0.00 O ATOM 0 H ASP A 3 95.206 1.925 25.226 1.00 0.00 H new ATOM 0 HA ASP A 3 94.792 1.815 28.037 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.208 4.136 26.103 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.194 4.330 27.845 1.00 0.00 H new ATOM 54 N GLY A 4 92.395 3.226 26.263 1.00 0.00 N ATOM 55 CA GLY A 4 90.978 3.681 26.353 1.00 0.00 C ATOM 56 C GLY A 4 90.170 2.651 27.148 1.00 0.00 C ATOM 57 O GLY A 4 89.047 2.895 27.538 1.00 0.00 O ATOM 0 H GLY A 4 92.791 3.225 25.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.926 4.655 26.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.557 3.800 25.355 1.00 0.00 H new ATOM 61 N ILE A 5 90.743 1.507 27.407 1.00 0.00 N ATOM 62 CA ILE A 5 90.018 0.474 28.195 1.00 0.00 C ATOM 63 C ILE A 5 89.683 1.050 29.574 1.00 0.00 C ATOM 64 O ILE A 5 88.617 0.824 30.110 1.00 0.00 O ATOM 65 CB ILE A 5 90.890 -0.787 28.314 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.868 -1.531 26.974 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.359 -1.704 29.424 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.941 -2.617 26.971 1.00 0.00 C ATOM 0 H ILE A 5 91.682 1.245 27.106 1.00 0.00 H new ATOM 0 HA ILE A 5 89.089 0.196 27.697 1.00 0.00 H new ATOM 0 HB ILE A 5 91.910 -0.498 28.565 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.886 -1.976 26.810 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.042 -0.832 26.156 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.988 -2.592 29.495 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.375 -1.171 30.375 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.336 -2.001 29.192 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.923 -3.144 26.017 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.921 -2.161 27.115 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.747 -3.322 27.779 1.00 0.00 H new ATOM 80 N ASP A 6 90.578 1.808 30.141 1.00 0.00 N ATOM 81 CA ASP A 6 90.304 2.413 31.474 1.00 0.00 C ATOM 82 C ASP A 6 89.063 3.301 31.353 1.00 0.00 C ATOM 83 O ASP A 6 88.217 3.334 32.224 1.00 0.00 O ATOM 84 CB ASP A 6 91.509 3.250 31.914 1.00 0.00 C ATOM 85 CG ASP A 6 91.235 3.875 33.284 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.079 3.947 33.664 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.192 4.267 33.934 1.00 0.00 O ATOM 0 H ASP A 6 91.488 2.035 29.739 1.00 0.00 H new ATOM 0 HA ASP A 6 90.131 1.634 32.217 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.400 2.624 31.962 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.707 4.032 31.181 1.00 0.00 H new ATOM 92 N LYS A 7 88.949 4.017 30.268 1.00 0.00 N ATOM 93 CA LYS A 7 87.764 4.897 30.068 1.00 0.00 C ATOM 94 C LYS A 7 86.504 4.031 30.071 1.00 0.00 C ATOM 95 O LYS A 7 85.474 4.410 30.595 1.00 0.00 O ATOM 96 CB LYS A 7 87.887 5.617 28.720 1.00 0.00 C ATOM 97 CG LYS A 7 86.699 6.573 28.531 1.00 0.00 C ATOM 98 CD LYS A 7 86.808 7.303 27.182 1.00 0.00 C ATOM 99 CE LYS A 7 87.773 8.490 27.292 1.00 0.00 C ATOM 100 NZ LYS A 7 87.785 9.239 26.003 1.00 0.00 N ATOM 0 H LYS A 7 89.629 4.030 29.508 1.00 0.00 H new ATOM 0 HA LYS A 7 87.708 5.636 30.867 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.823 6.173 28.678 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.912 4.889 27.909 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.764 6.015 28.575 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.675 7.299 29.344 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.157 6.612 26.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 85.824 7.654 26.871 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.466 9.148 28.105 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.776 8.136 27.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.439 10.044 26.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.097 8.608 25.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.828 9.588 25.795 1.00 0.00 H new ATOM 114 N ALA A 8 86.580 2.872 29.479 1.00 0.00 N ATOM 115 CA ALA A 8 85.397 1.969 29.427 1.00 0.00 C ATOM 116 C ALA A 8 84.940 1.611 30.847 1.00 0.00 C ATOM 117 O ALA A 8 83.760 1.485 31.108 1.00 0.00 O ATOM 118 CB ALA A 8 85.770 0.689 28.679 1.00 0.00 C ATOM 0 H ALA A 8 87.418 2.509 29.025 1.00 0.00 H new ATOM 0 HA ALA A 8 84.584 2.479 28.910 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.906 0.026 28.639 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.083 0.938 27.665 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.587 0.189 29.199 1.00 0.00 H new ATOM 124 N GLN A 9 85.853 1.442 31.766 1.00 0.00 N ATOM 125 CA GLN A 9 85.441 1.088 33.158 1.00 0.00 C ATOM 126 C GLN A 9 84.542 2.194 33.711 1.00 0.00 C ATOM 127 O GLN A 9 83.529 1.935 34.331 1.00 0.00 O ATOM 128 CB GLN A 9 86.684 0.969 34.044 1.00 0.00 C ATOM 129 CG GLN A 9 87.487 -0.273 33.654 1.00 0.00 C ATOM 130 CD GLN A 9 88.829 -0.260 34.389 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.371 0.790 34.670 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.391 -1.391 34.719 1.00 0.00 N ATOM 0 H GLN A 9 86.858 1.532 31.617 1.00 0.00 H new ATOM 0 HA GLN A 9 84.904 0.139 33.149 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.303 1.860 33.938 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.390 0.908 35.092 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.929 -1.175 33.907 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.650 -0.291 32.576 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.937 -2.274 34.484 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.284 -1.392 35.212 1.00 0.00 H new ATOM 141 N GLU A 10 84.902 3.422 33.480 1.00 0.00 N ATOM 142 CA GLU A 10 84.072 4.554 33.973 1.00 0.00 C ATOM 143 C GLU A 10 82.685 4.500 33.333 1.00 0.00 C ATOM 144 O GLU A 10 81.686 4.796 33.959 1.00 0.00 O ATOM 145 CB GLU A 10 84.750 5.881 33.618 1.00 0.00 C ATOM 146 CG GLU A 10 86.014 6.053 34.466 1.00 0.00 C ATOM 147 CD GLU A 10 85.623 6.305 35.924 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.941 7.286 36.175 1.00 0.00 O ATOM 149 OE2 GLU A 10 86.014 5.514 36.767 1.00 0.00 O ATOM 0 H GLU A 10 85.741 3.693 32.967 1.00 0.00 H new ATOM 0 HA GLU A 10 83.969 4.477 35.055 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.005 5.899 32.558 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.065 6.710 33.795 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.636 5.161 34.395 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.607 6.886 34.089 1.00 0.00 H new ATOM 156 N GLU A 11 82.619 4.147 32.077 1.00 0.00 N ATOM 157 CA GLU A 11 81.304 4.099 31.368 1.00 0.00 C ATOM 158 C GLU A 11 80.706 2.689 31.429 1.00 0.00 C ATOM 159 O GLU A 11 79.688 2.420 30.824 1.00 0.00 O ATOM 160 CB GLU A 11 81.519 4.486 29.905 1.00 0.00 C ATOM 161 CG GLU A 11 81.958 5.949 29.822 1.00 0.00 C ATOM 162 CD GLU A 11 82.182 6.333 28.359 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.052 5.463 27.513 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.479 7.490 28.108 1.00 0.00 O ATOM 0 H GLU A 11 83.424 3.888 31.507 1.00 0.00 H new ATOM 0 HA GLU A 11 80.616 4.792 31.852 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.275 3.843 29.455 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.598 4.339 29.340 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.199 6.593 30.266 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.875 6.097 30.392 1.00 0.00 H new ATOM 171 N CYS A 12 81.315 1.785 32.148 1.00 0.00 N ATOM 172 CA CYS A 12 80.749 0.404 32.222 1.00 0.00 C ATOM 173 C CYS A 12 79.255 0.492 32.550 1.00 0.00 C ATOM 174 O CYS A 12 78.439 -0.207 31.982 1.00 0.00 O ATOM 175 CB CYS A 12 81.464 -0.392 33.317 1.00 0.00 C ATOM 176 SG CYS A 12 80.801 -2.076 33.367 1.00 0.00 S ATOM 0 H CYS A 12 82.170 1.938 32.682 1.00 0.00 H new ATOM 0 HA CYS A 12 80.890 -0.098 31.265 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.536 -0.417 33.122 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.327 0.093 34.283 1.00 0.00 H new ATOM 0 HG CYS A 12 81.651 -2.860 33.962 1.00 0.00 H new ATOM 181 N GLU A 13 78.895 1.354 33.460 1.00 0.00 N ATOM 182 CA GLU A 13 77.458 1.507 33.832 1.00 0.00 C ATOM 183 C GLU A 13 76.644 1.945 32.611 1.00 0.00 C ATOM 184 O GLU A 13 75.510 1.547 32.435 1.00 0.00 O ATOM 185 CB GLU A 13 77.327 2.565 34.929 1.00 0.00 C ATOM 186 CG GLU A 13 77.916 2.026 36.234 1.00 0.00 C ATOM 187 CD GLU A 13 77.807 3.094 37.323 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.314 4.170 37.024 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.223 2.822 38.436 1.00 0.00 O ATOM 0 H GLU A 13 79.538 1.963 33.966 1.00 0.00 H new ATOM 0 HA GLU A 13 77.080 0.550 34.192 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.846 3.477 34.633 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.279 2.827 35.072 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.385 1.124 36.540 1.00 0.00 H new ATOM 0 HG3 GLU A 13 78.959 1.747 36.087 1.00 0.00 H new ATOM 196 N LYS A 14 77.206 2.779 31.780 1.00 0.00 N ATOM 197 CA LYS A 14 76.457 3.267 30.584 1.00 0.00 C ATOM 198 C LYS A 14 76.064 2.086 29.691 1.00 0.00 C ATOM 199 O LYS A 14 74.973 2.040 29.159 1.00 0.00 O ATOM 200 CB LYS A 14 77.347 4.243 29.803 1.00 0.00 C ATOM 201 CG LYS A 14 76.617 4.774 28.560 1.00 0.00 C ATOM 202 CD LYS A 14 75.332 5.513 28.964 1.00 0.00 C ATOM 203 CE LYS A 14 74.902 6.457 27.837 1.00 0.00 C ATOM 204 NZ LYS A 14 74.760 5.684 26.573 1.00 0.00 N ATOM 0 H LYS A 14 78.153 3.145 31.876 1.00 0.00 H new ATOM 0 HA LYS A 14 75.548 3.776 30.905 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.632 5.076 30.446 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.267 3.742 29.503 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.272 5.447 28.007 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.373 3.947 27.893 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.539 4.795 29.172 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.499 6.078 29.881 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.957 6.938 28.091 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.639 7.250 27.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.233 6.250 25.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 75.703 5.460 26.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.245 4.801 26.762 1.00 0.00 H new ATOM 218 N TYR A 15 76.932 1.123 29.527 1.00 0.00 N ATOM 219 CA TYR A 15 76.586 -0.053 28.674 1.00 0.00 C ATOM 220 C TYR A 15 75.889 -1.099 29.543 1.00 0.00 C ATOM 221 O TYR A 15 75.303 -2.041 29.049 1.00 0.00 O ATOM 222 CB TYR A 15 77.858 -0.649 28.067 1.00 0.00 C ATOM 223 CG TYR A 15 78.469 0.349 27.114 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.078 0.359 25.770 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.418 1.272 27.573 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.635 1.288 24.885 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.975 2.202 26.688 1.00 0.00 C ATOM 228 CZ TYR A 15 79.583 2.209 25.345 1.00 0.00 C ATOM 229 OH TYR A 15 80.130 3.127 24.474 1.00 0.00 O ATOM 0 H TYR A 15 77.862 1.099 29.945 1.00 0.00 H new ATOM 0 HA TYR A 15 75.925 0.259 27.865 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.568 -0.899 28.855 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.625 -1.575 27.542 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.346 -0.351 25.416 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.720 1.266 28.610 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.334 1.295 23.848 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.707 2.914 27.041 1.00 0.00 H new ATOM 0 HH TYR A 15 80.516 2.658 23.705 1.00 0.00 H new ATOM 239 N HIS A 16 75.943 -0.924 30.838 1.00 0.00 N ATOM 240 CA HIS A 16 75.276 -1.882 31.766 1.00 0.00 C ATOM 241 C HIS A 16 75.825 -3.296 31.560 1.00 0.00 C ATOM 242 O HIS A 16 77.016 -3.500 31.427 1.00 0.00 O ATOM 243 CB HIS A 16 73.763 -1.865 31.526 1.00 0.00 C ATOM 244 CG HIS A 16 73.259 -0.452 31.646 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.047 0.358 32.735 1.00 0.00 N flip ATOM 246 CD2 HIS A 16 72.911 0.307 30.536 1.00 0.00 C flip ATOM 247 CE1 HIS A 16 72.578 1.595 32.309 1.00 0.00 C flip ATOM 248 NE2 HIS A 16 72.512 1.515 30.980 1.00 0.00 N flip ATOM 0 H HIS A 16 76.426 -0.150 31.295 1.00 0.00 H new ATOM 0 HA HIS A 16 75.480 -1.578 32.793 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.535 -2.262 30.537 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.261 -2.506 32.251 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.953 -0.013 29.505 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.321 2.444 32.926 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.199 2.274 30.375 1.00 0.00 H new ATOM 257 N SER A 17 74.963 -4.274 31.549 1.00 0.00 N ATOM 258 CA SER A 17 75.417 -5.682 31.372 1.00 0.00 C ATOM 259 C SER A 17 75.649 -5.977 29.892 1.00 0.00 C ATOM 260 O SER A 17 76.159 -7.019 29.530 1.00 0.00 O ATOM 261 CB SER A 17 74.344 -6.623 31.906 1.00 0.00 C ATOM 262 OG SER A 17 73.224 -6.608 31.029 1.00 0.00 O ATOM 0 H SER A 17 73.955 -4.157 31.656 1.00 0.00 H new ATOM 0 HA SER A 17 76.350 -5.828 31.916 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.741 -7.635 31.990 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.040 -6.316 32.907 1.00 0.00 H new ATOM 0 HG SER A 17 72.533 -7.214 31.370 1.00 0.00 H new ATOM 268 N ASN A 18 75.270 -5.078 29.033 1.00 0.00 N ATOM 269 CA ASN A 18 75.460 -5.322 27.574 1.00 0.00 C ATOM 270 C ASN A 18 76.909 -5.033 27.193 1.00 0.00 C ATOM 271 O ASN A 18 77.214 -4.016 26.603 1.00 0.00 O ATOM 272 CB ASN A 18 74.550 -4.393 26.772 1.00 0.00 C ATOM 273 CG ASN A 18 73.095 -4.811 26.957 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.814 -5.929 27.340 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.151 -3.954 26.690 1.00 0.00 N ATOM 0 H ASN A 18 74.838 -4.186 29.273 1.00 0.00 H new ATOM 0 HA ASN A 18 75.215 -6.361 27.354 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.687 -3.363 27.100 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.817 -4.429 25.716 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.173 -4.221 26.802 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.390 -3.016 26.369 1.00 0.00 H new ATOM 282 N TRP A 19 77.805 -5.921 27.516 1.00 0.00 N ATOM 283 CA TRP A 19 79.232 -5.701 27.162 1.00 0.00 C ATOM 284 C TRP A 19 79.404 -5.831 25.647 1.00 0.00 C ATOM 285 O TRP A 19 80.336 -5.306 25.071 1.00 0.00 O ATOM 286 CB TRP A 19 80.094 -6.738 27.877 1.00 0.00 C ATOM 287 CG TRP A 19 79.666 -8.109 27.469 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.700 -8.830 28.081 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.165 -8.936 26.378 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.573 -10.046 27.436 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.455 -10.159 26.381 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.154 -8.746 25.398 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.717 -11.160 25.444 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.420 -9.750 24.454 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.703 -10.955 24.478 1.00 0.00 C ATOM 0 H TRP A 19 77.610 -6.791 28.011 1.00 0.00 H new ATOM 0 HA TRP A 19 79.541 -4.703 27.472 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.145 -6.585 27.630 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.000 -6.622 28.957 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.122 -8.508 28.935 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.909 -10.771 27.707 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.713 -7.822 25.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.161 -12.086 25.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.182 -9.594 23.704 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.914 -11.724 23.749 1.00 0.00 H new ATOM 306 N ARG A 20 78.510 -6.531 24.998 1.00 0.00 N ATOM 307 CA ARG A 20 78.617 -6.695 23.519 1.00 0.00 C ATOM 308 C ARG A 20 78.558 -5.330 22.835 1.00 0.00 C ATOM 309 O ARG A 20 79.293 -5.060 21.904 1.00 0.00 O ATOM 310 CB ARG A 20 77.463 -7.564 23.023 1.00 0.00 C ATOM 311 CG ARG A 20 77.671 -9.005 23.493 1.00 0.00 C ATOM 312 CD ARG A 20 76.514 -9.877 23.002 1.00 0.00 C ATOM 313 NE ARG A 20 76.730 -11.284 23.437 1.00 0.00 N ATOM 314 CZ ARG A 20 75.736 -12.130 23.424 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.547 -11.733 23.057 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.927 -13.371 23.781 1.00 0.00 N ATOM 0 H ARG A 20 77.711 -6.996 25.429 1.00 0.00 H new ATOM 0 HA ARG A 20 79.567 -7.172 23.279 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.516 -7.180 23.401 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.409 -7.529 21.935 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.617 -9.390 23.112 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.729 -9.039 24.581 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.570 -9.504 23.399 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.444 -9.828 21.915 1.00 0.00 H new ATOM 0 HE ARG A 20 77.654 -11.587 23.745 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.396 -10.763 22.781 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.770 -12.393 23.046 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.854 -13.681 24.071 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.149 -14.030 23.770 1.00 0.00 H new ATOM 330 N ALA A 21 77.699 -4.460 23.287 1.00 0.00 N ATOM 331 CA ALA A 21 77.617 -3.115 22.655 1.00 0.00 C ATOM 332 C ALA A 21 78.923 -2.370 22.930 1.00 0.00 C ATOM 333 O ALA A 21 79.468 -1.711 22.068 1.00 0.00 O ATOM 334 CB ALA A 21 76.441 -2.335 23.250 1.00 0.00 C ATOM 0 H ALA A 21 77.055 -4.620 24.061 1.00 0.00 H new ATOM 0 HA ALA A 21 77.464 -3.216 21.581 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.384 -1.351 22.785 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.514 -2.878 23.065 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.587 -2.221 24.324 1.00 0.00 H new ATOM 340 N MET A 22 79.434 -2.482 24.126 1.00 0.00 N ATOM 341 CA MET A 22 80.713 -1.795 24.454 1.00 0.00 C ATOM 342 C MET A 22 81.831 -2.362 23.577 1.00 0.00 C ATOM 343 O MET A 22 82.621 -1.634 23.012 1.00 0.00 O ATOM 344 CB MET A 22 81.047 -2.018 25.931 1.00 0.00 C ATOM 345 CG MET A 22 82.351 -1.298 26.275 1.00 0.00 C ATOM 346 SD MET A 22 82.631 -1.375 28.063 1.00 0.00 S ATOM 347 CE MET A 22 82.710 -3.176 28.211 1.00 0.00 C ATOM 0 H MET A 22 79.021 -3.019 24.888 1.00 0.00 H new ATOM 0 HA MET A 22 80.615 -0.726 24.267 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.237 -1.645 26.558 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.143 -3.084 26.136 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.184 -1.760 25.746 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.302 -0.259 25.948 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.309 -3.444 29.081 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.703 -3.576 28.327 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.165 -3.595 27.314 1.00 0.00 H new ATOM 357 N ALA A 23 81.901 -3.658 23.448 1.00 0.00 N ATOM 358 CA ALA A 23 82.969 -4.262 22.601 1.00 0.00 C ATOM 359 C ALA A 23 82.863 -3.699 21.185 1.00 0.00 C ATOM 360 O ALA A 23 83.853 -3.414 20.541 1.00 0.00 O ATOM 361 CB ALA A 23 82.786 -5.779 22.555 1.00 0.00 C ATOM 0 H ALA A 23 81.267 -4.324 23.891 1.00 0.00 H new ATOM 0 HA ALA A 23 83.947 -4.026 23.021 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.567 -6.221 21.936 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.851 -6.184 23.565 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.810 -6.015 22.131 1.00 0.00 H new ATOM 367 N SER A 24 81.664 -3.540 20.697 1.00 0.00 N ATOM 368 CA SER A 24 81.481 -2.997 19.323 1.00 0.00 C ATOM 369 C SER A 24 81.908 -1.528 19.288 1.00 0.00 C ATOM 370 O SER A 24 82.447 -1.054 18.309 1.00 0.00 O ATOM 371 CB SER A 24 80.010 -3.110 18.921 1.00 0.00 C ATOM 372 OG SER A 24 79.880 -2.811 17.537 1.00 0.00 O ATOM 0 H SER A 24 80.801 -3.764 21.193 1.00 0.00 H new ATOM 0 HA SER A 24 82.094 -3.568 18.625 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.641 -4.115 19.124 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.405 -2.423 19.512 1.00 0.00 H new ATOM 0 HG SER A 24 78.939 -2.884 17.274 1.00 0.00 H new ATOM 378 N ASP A 25 81.663 -0.804 20.344 1.00 0.00 N ATOM 379 CA ASP A 25 82.047 0.638 20.366 1.00 0.00 C ATOM 380 C ASP A 25 83.566 0.765 20.409 1.00 0.00 C ATOM 381 O ASP A 25 84.152 1.581 19.728 1.00 0.00 O ATOM 382 CB ASP A 25 81.468 1.289 21.619 1.00 0.00 C ATOM 383 CG ASP A 25 81.672 2.804 21.550 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.528 3.233 20.793 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.974 3.511 22.258 1.00 0.00 O ATOM 0 H ASP A 25 81.214 -1.147 21.193 1.00 0.00 H new ATOM 0 HA ASP A 25 81.662 1.127 19.471 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.406 1.058 21.704 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.954 0.886 22.508 1.00 0.00 H new ATOM 390 N PHE A 26 84.205 -0.037 21.210 1.00 0.00 N ATOM 391 CA PHE A 26 85.695 0.029 21.313 1.00 0.00 C ATOM 392 C PHE A 26 86.320 -1.004 20.363 1.00 0.00 C ATOM 393 O PHE A 26 87.526 -1.115 20.260 1.00 0.00 O ATOM 394 CB PHE A 26 86.112 -0.268 22.757 1.00 0.00 C ATOM 395 CG PHE A 26 85.704 0.883 23.654 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.443 0.884 24.265 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.587 1.946 23.882 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.066 1.945 25.098 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.210 3.006 24.715 1.00 0.00 C ATOM 400 CZ PHE A 26 84.949 3.006 25.322 1.00 0.00 C ATOM 0 H PHE A 26 83.762 -0.740 21.802 1.00 0.00 H new ATOM 0 HA PHE A 26 86.042 1.024 21.034 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.644 -1.191 23.098 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.190 -0.419 22.811 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.760 0.065 24.093 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.560 1.948 23.414 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.093 1.944 25.567 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.893 3.824 24.889 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.658 3.825 25.963 1.00 0.00 H new ATOM 410 N ASN A 27 85.507 -1.747 19.656 1.00 0.00 N ATOM 411 CA ASN A 27 86.046 -2.761 18.698 1.00 0.00 C ATOM 412 C ASN A 27 87.052 -3.678 19.398 1.00 0.00 C ATOM 413 O ASN A 27 88.146 -3.889 18.912 1.00 0.00 O ATOM 414 CB ASN A 27 86.742 -2.053 17.532 1.00 0.00 C ATOM 415 CG ASN A 27 85.713 -1.317 16.668 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.455 -1.669 16.713 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 86.058 -0.409 15.939 1.00 0.00 N flip ATOM 0 H ASN A 27 84.489 -1.695 19.701 1.00 0.00 H new ATOM 0 HA ASN A 27 85.215 -3.360 18.326 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.479 -1.346 17.914 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.282 -2.780 16.926 1.00 0.00 H new ATOM 0 HD21 ASN A 27 87.038 -0.130 15.900 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.367 0.075 15.365 1.00 0.00 H new ATOM 424 N LEU A 28 86.691 -4.226 20.534 1.00 0.00 N ATOM 425 CA LEU A 28 87.623 -5.140 21.279 1.00 0.00 C ATOM 426 C LEU A 28 86.962 -6.519 21.446 1.00 0.00 C ATOM 427 O LEU A 28 85.754 -6.622 21.508 1.00 0.00 O ATOM 428 CB LEU A 28 87.892 -4.550 22.667 1.00 0.00 C ATOM 429 CG LEU A 28 88.785 -3.299 22.554 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.637 -2.439 23.815 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.261 -3.709 22.409 1.00 0.00 C ATOM 0 H LEU A 28 85.786 -4.080 20.982 1.00 0.00 H new ATOM 0 HA LEU A 28 88.556 -5.243 20.725 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.949 -4.289 23.148 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.376 -5.295 23.298 1.00 0.00 H new ATOM 0 HG LEU A 28 88.475 -2.732 21.676 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.270 -1.556 23.730 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.597 -2.130 23.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.938 -3.018 24.688 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.881 -2.816 22.330 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.566 -4.286 23.282 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.384 -4.316 21.512 1.00 0.00 H new ATOM 443 N PRO A 29 87.742 -7.576 21.530 1.00 0.00 N ATOM 444 CA PRO A 29 87.199 -8.960 21.705 1.00 0.00 C ATOM 445 C PRO A 29 86.601 -9.169 23.109 1.00 0.00 C ATOM 446 O PRO A 29 86.885 -8.424 24.026 1.00 0.00 O ATOM 447 CB PRO A 29 88.425 -9.861 21.481 1.00 0.00 C ATOM 448 CG PRO A 29 89.598 -9.010 21.847 1.00 0.00 C ATOM 449 CD PRO A 29 89.217 -7.578 21.466 1.00 0.00 C ATOM 0 HA PRO A 29 86.381 -9.175 21.017 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.377 -10.756 22.102 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.486 -10.195 20.445 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.817 -9.085 22.912 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.493 -9.330 21.314 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.648 -6.853 22.156 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.574 -7.321 20.469 1.00 0.00 H new ATOM 457 N PRO A 30 85.775 -10.173 23.271 1.00 0.00 N ATOM 458 CA PRO A 30 85.119 -10.482 24.581 1.00 0.00 C ATOM 459 C PRO A 30 86.133 -10.609 25.730 1.00 0.00 C ATOM 460 O PRO A 30 85.799 -10.421 26.882 1.00 0.00 O ATOM 461 CB PRO A 30 84.386 -11.823 24.333 1.00 0.00 C ATOM 462 CG PRO A 30 84.933 -12.350 23.037 1.00 0.00 C ATOM 463 CD PRO A 30 85.370 -11.131 22.233 1.00 0.00 C ATOM 0 HA PRO A 30 84.447 -9.682 24.891 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.566 -12.524 25.148 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.308 -11.675 24.272 1.00 0.00 H new ATOM 0 HG2 PRO A 30 85.773 -13.022 23.213 1.00 0.00 H new ATOM 0 HG3 PRO A 30 84.176 -12.921 22.499 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.194 -11.367 21.559 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.558 -10.741 21.619 1.00 0.00 H new ATOM 471 N VAL A 31 87.362 -10.929 25.431 1.00 0.00 N ATOM 472 CA VAL A 31 88.373 -11.066 26.519 1.00 0.00 C ATOM 473 C VAL A 31 88.501 -9.737 27.264 1.00 0.00 C ATOM 474 O VAL A 31 88.443 -9.684 28.477 1.00 0.00 O ATOM 475 CB VAL A 31 89.732 -11.435 25.907 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.833 -11.323 26.970 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.680 -12.873 25.385 1.00 0.00 C ATOM 0 H VAL A 31 87.709 -11.101 24.487 1.00 0.00 H new ATOM 0 HA VAL A 31 88.058 -11.846 27.212 1.00 0.00 H new ATOM 0 HB VAL A 31 89.952 -10.751 25.087 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.794 -11.586 26.528 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.874 -10.300 27.345 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.614 -12.003 27.794 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.644 -13.137 24.950 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.455 -13.551 26.208 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.904 -12.956 24.624 1.00 0.00 H new ATOM 487 N VAL A 32 88.677 -8.664 26.548 1.00 0.00 N ATOM 488 CA VAL A 32 88.812 -7.341 27.214 1.00 0.00 C ATOM 489 C VAL A 32 87.453 -6.873 27.729 1.00 0.00 C ATOM 490 O VAL A 32 87.333 -6.366 28.825 1.00 0.00 O ATOM 491 CB VAL A 32 89.338 -6.318 26.212 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.434 -4.952 26.892 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.721 -6.746 25.717 1.00 0.00 C ATOM 0 H VAL A 32 88.733 -8.646 25.530 1.00 0.00 H new ATOM 0 HA VAL A 32 89.505 -7.436 28.050 1.00 0.00 H new ATOM 0 HB VAL A 32 88.659 -6.256 25.362 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.810 -4.217 26.180 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.447 -4.649 27.240 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.114 -5.015 27.741 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.094 -6.013 25.001 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.406 -6.809 26.562 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.649 -7.721 25.234 1.00 0.00 H new ATOM 503 N ALA A 33 86.427 -7.025 26.937 1.00 0.00 N ATOM 504 CA ALA A 33 85.079 -6.568 27.373 1.00 0.00 C ATOM 505 C ALA A 33 84.670 -7.309 28.645 1.00 0.00 C ATOM 506 O ALA A 33 84.299 -6.705 29.632 1.00 0.00 O ATOM 507 CB ALA A 33 84.070 -6.849 26.260 1.00 0.00 C ATOM 0 H ALA A 33 86.465 -7.445 26.008 1.00 0.00 H new ATOM 0 HA ALA A 33 85.104 -5.498 27.580 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.080 -6.516 26.573 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.364 -6.312 25.358 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.045 -7.919 26.054 1.00 0.00 H new ATOM 513 N LYS A 34 84.749 -8.606 28.637 1.00 0.00 N ATOM 514 CA LYS A 34 84.381 -9.378 29.855 1.00 0.00 C ATOM 515 C LYS A 34 85.280 -8.962 31.020 1.00 0.00 C ATOM 516 O LYS A 34 84.837 -8.837 32.144 1.00 0.00 O ATOM 517 CB LYS A 34 84.533 -10.873 29.577 1.00 0.00 C ATOM 518 CG LYS A 34 83.441 -11.316 28.602 1.00 0.00 C ATOM 519 CD LYS A 34 83.581 -12.812 28.314 1.00 0.00 C ATOM 520 CE LYS A 34 82.483 -13.248 27.343 1.00 0.00 C ATOM 521 NZ LYS A 34 81.177 -13.276 28.063 1.00 0.00 N ATOM 0 H LYS A 34 85.052 -9.167 27.841 1.00 0.00 H new ATOM 0 HA LYS A 34 83.344 -9.170 30.120 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.518 -11.079 29.157 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.458 -11.437 30.506 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.458 -11.108 29.024 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.517 -10.749 27.674 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.562 -13.021 27.888 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.508 -13.380 29.241 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.432 -12.560 26.499 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.710 -14.234 26.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.800 -14.245 28.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.315 -12.960 29.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.504 -12.642 27.587 1.00 0.00 H new ATOM 535 N GLU A 35 86.542 -8.754 30.762 1.00 0.00 N ATOM 536 CA GLU A 35 87.471 -8.351 31.857 1.00 0.00 C ATOM 537 C GLU A 35 87.013 -7.017 32.457 1.00 0.00 C ATOM 538 O GLU A 35 87.050 -6.824 33.655 1.00 0.00 O ATOM 539 CB GLU A 35 88.887 -8.194 31.297 1.00 0.00 C ATOM 540 CG GLU A 35 89.890 -8.025 32.446 1.00 0.00 C ATOM 541 CD GLU A 35 89.792 -6.605 33.011 1.00 0.00 C ATOM 542 OE1 GLU A 35 90.001 -5.673 32.252 1.00 0.00 O ATOM 543 OE2 GLU A 35 89.508 -6.476 34.190 1.00 0.00 O ATOM 0 H GLU A 35 86.970 -8.845 29.841 1.00 0.00 H new ATOM 0 HA GLU A 35 87.467 -9.119 32.631 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.150 -9.067 30.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.931 -7.330 30.635 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.686 -8.754 33.230 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.902 -8.216 32.089 1.00 0.00 H new ATOM 550 N ILE A 36 86.572 -6.096 31.640 1.00 0.00 N ATOM 551 CA ILE A 36 86.108 -4.790 32.190 1.00 0.00 C ATOM 552 C ILE A 36 84.943 -5.061 33.145 1.00 0.00 C ATOM 553 O ILE A 36 84.869 -4.514 34.228 1.00 0.00 O ATOM 554 CB ILE A 36 85.651 -3.882 31.041 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.869 -3.454 30.212 1.00 0.00 C ATOM 556 CG2 ILE A 36 84.961 -2.634 31.608 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.402 -2.790 28.908 1.00 0.00 C ATOM 0 H ILE A 36 86.514 -6.191 30.626 1.00 0.00 H new ATOM 0 HA ILE A 36 86.917 -4.291 32.724 1.00 0.00 H new ATOM 0 HB ILE A 36 84.950 -4.428 30.410 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.485 -2.760 30.784 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.491 -4.321 29.987 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.638 -1.992 30.788 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.094 -2.933 32.197 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.660 -2.088 32.242 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.270 -2.488 28.322 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.805 -3.498 28.333 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.799 -1.913 29.142 1.00 0.00 H new ATOM 569 N VAL A 37 84.051 -5.929 32.757 1.00 0.00 N ATOM 570 CA VAL A 37 82.903 -6.282 33.638 1.00 0.00 C ATOM 571 C VAL A 37 83.458 -7.003 34.868 1.00 0.00 C ATOM 572 O VAL A 37 83.011 -6.804 35.981 1.00 0.00 O ATOM 573 CB VAL A 37 81.958 -7.213 32.873 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.725 -7.509 33.722 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.523 -6.539 31.569 1.00 0.00 C ATOM 0 H VAL A 37 84.068 -6.413 31.859 1.00 0.00 H new ATOM 0 HA VAL A 37 82.356 -5.390 33.942 1.00 0.00 H new ATOM 0 HB VAL A 37 82.477 -8.145 32.650 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.056 -8.172 33.173 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.030 -7.990 34.651 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.207 -6.577 33.949 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.850 -7.201 31.024 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.008 -5.606 31.796 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.401 -6.330 30.957 1.00 0.00 H new ATOM 585 N ALA A 38 84.434 -7.845 34.659 1.00 0.00 N ATOM 586 CA ALA A 38 85.046 -8.609 35.786 1.00 0.00 C ATOM 587 C ALA A 38 85.637 -7.652 36.829 1.00 0.00 C ATOM 588 O ALA A 38 85.840 -8.023 37.967 1.00 0.00 O ATOM 589 CB ALA A 38 86.168 -9.495 35.243 1.00 0.00 C ATOM 0 H ALA A 38 84.839 -8.039 33.743 1.00 0.00 H new ATOM 0 HA ALA A 38 84.272 -9.216 36.255 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.618 -10.055 36.063 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.760 -10.190 34.509 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.927 -8.872 34.769 1.00 0.00 H new ATOM 595 N SER A 39 85.934 -6.431 36.454 1.00 0.00 N ATOM 596 CA SER A 39 86.535 -5.475 37.440 1.00 0.00 C ATOM 597 C SER A 39 85.441 -4.614 38.073 1.00 0.00 C ATOM 598 O SER A 39 85.570 -4.161 39.192 1.00 0.00 O ATOM 599 CB SER A 39 87.532 -4.567 36.721 1.00 0.00 C ATOM 600 OG SER A 39 88.615 -5.350 36.238 1.00 0.00 O ATOM 0 H SER A 39 85.788 -6.056 35.517 1.00 0.00 H new ATOM 0 HA SER A 39 87.042 -6.043 38.220 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.042 -4.053 35.894 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.899 -3.799 37.402 1.00 0.00 H new ATOM 0 HG SER A 39 88.609 -5.347 35.258 1.00 0.00 H new ATOM 606 N CYS A 40 84.360 -4.393 37.381 1.00 0.00 N ATOM 607 CA CYS A 40 83.270 -3.570 37.973 1.00 0.00 C ATOM 608 C CYS A 40 82.783 -4.253 39.251 1.00 0.00 C ATOM 609 O CYS A 40 82.673 -5.462 39.315 1.00 0.00 O ATOM 610 CB CYS A 40 82.119 -3.457 36.976 1.00 0.00 C ATOM 611 SG CYS A 40 80.926 -2.229 37.561 1.00 0.00 S ATOM 0 H CYS A 40 84.184 -4.743 36.439 1.00 0.00 H new ATOM 0 HA CYS A 40 83.637 -2.570 38.205 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.500 -3.170 35.996 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.631 -4.425 36.857 1.00 0.00 H new ATOM 0 HG CYS A 40 79.949 -2.133 36.709 1.00 0.00 H new ATOM 616 N ASP A 41 82.504 -3.499 40.275 1.00 0.00 N ATOM 617 CA ASP A 41 82.041 -4.119 41.547 1.00 0.00 C ATOM 618 C ASP A 41 80.568 -4.521 41.431 1.00 0.00 C ATOM 619 O ASP A 41 80.133 -5.493 42.016 1.00 0.00 O ATOM 620 CB ASP A 41 82.203 -3.115 42.690 1.00 0.00 C ATOM 621 CG ASP A 41 83.691 -2.882 42.959 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.492 -3.654 42.457 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.006 -1.930 43.655 1.00 0.00 O ATOM 0 H ASP A 41 82.576 -2.482 40.287 1.00 0.00 H new ATOM 0 HA ASP A 41 82.639 -5.008 41.748 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.718 -2.174 42.433 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.715 -3.490 43.589 1.00 0.00 H new ATOM 628 N LYS A 42 79.791 -3.768 40.703 1.00 0.00 N ATOM 629 CA LYS A 42 78.340 -4.092 40.575 1.00 0.00 C ATOM 630 C LYS A 42 78.132 -5.344 39.713 1.00 0.00 C ATOM 631 O LYS A 42 77.284 -6.167 40.001 1.00 0.00 O ATOM 632 CB LYS A 42 77.622 -2.907 39.928 1.00 0.00 C ATOM 633 CG LYS A 42 77.617 -1.725 40.898 1.00 0.00 C ATOM 634 CD LYS A 42 76.900 -0.536 40.255 1.00 0.00 C ATOM 635 CE LYS A 42 76.910 0.648 41.223 1.00 0.00 C ATOM 636 NZ LYS A 42 76.137 1.778 40.633 1.00 0.00 N ATOM 0 H LYS A 42 80.097 -2.941 40.190 1.00 0.00 H new ATOM 0 HA LYS A 42 77.934 -4.286 41.568 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.121 -2.628 39.000 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.600 -3.184 39.670 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.118 -2.005 41.826 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.639 -1.449 41.157 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.393 -0.261 39.322 1.00 0.00 H new ATOM 0 HD3 LYS A 42 75.874 -0.807 40.006 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.474 0.355 42.178 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.935 0.960 41.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.955 2.494 41.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.684 2.206 39.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 75.232 1.424 40.262 1.00 0.00 H new ATOM 650 N CYS A 43 78.880 -5.494 38.652 1.00 0.00 N ATOM 651 CA CYS A 43 78.697 -6.693 37.779 1.00 0.00 C ATOM 652 C CYS A 43 79.426 -7.902 38.369 1.00 0.00 C ATOM 653 O CYS A 43 79.269 -9.012 37.902 1.00 0.00 O ATOM 654 CB CYS A 43 79.235 -6.418 36.377 1.00 0.00 C ATOM 655 SG CYS A 43 78.382 -4.985 35.670 1.00 0.00 S ATOM 0 H CYS A 43 79.606 -4.843 38.352 1.00 0.00 H new ATOM 0 HA CYS A 43 77.630 -6.909 37.721 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.308 -6.231 36.418 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.088 -7.292 35.742 1.00 0.00 H new ATOM 0 HG CYS A 43 78.843 -4.751 34.477 1.00 0.00 H new ATOM 660 N GLN A 44 80.229 -7.706 39.378 1.00 0.00 N ATOM 661 CA GLN A 44 80.965 -8.863 39.961 1.00 0.00 C ATOM 662 C GLN A 44 79.973 -9.790 40.667 1.00 0.00 C ATOM 663 O GLN A 44 79.826 -10.942 40.311 1.00 0.00 O ATOM 664 CB GLN A 44 81.992 -8.345 40.974 1.00 0.00 C ATOM 665 CG GLN A 44 82.879 -9.498 41.455 1.00 0.00 C ATOM 666 CD GLN A 44 83.779 -9.975 40.311 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.130 -9.138 39.371 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 84.169 -11.125 40.272 1.00 0.00 N flip ATOM 0 H GLN A 44 80.407 -6.804 39.821 1.00 0.00 H new ATOM 0 HA GLN A 44 81.476 -9.413 39.171 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.606 -7.569 40.518 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.481 -7.890 41.822 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.489 -9.172 42.298 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.259 -10.322 41.810 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.897 -11.781 41.004 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.769 -11.435 39.507 1.00 0.00 H new ATOM 677 N LEU A 45 79.275 -9.294 41.651 1.00 0.00 N ATOM 678 CA LEU A 45 78.275 -10.145 42.366 1.00 0.00 C ATOM 679 C LEU A 45 76.918 -9.998 41.677 1.00 0.00 C ATOM 680 O LEU A 45 76.693 -9.080 40.914 1.00 0.00 O ATOM 681 CB LEU A 45 78.158 -9.705 43.828 1.00 0.00 C ATOM 682 CG LEU A 45 79.516 -9.842 44.531 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.367 -9.396 45.989 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.001 -11.306 44.483 1.00 0.00 C ATOM 0 H LEU A 45 79.352 -8.336 41.993 1.00 0.00 H new ATOM 0 HA LEU A 45 78.597 -11.186 42.338 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.816 -8.671 43.878 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.412 -10.313 44.340 1.00 0.00 H new ATOM 0 HG LEU A 45 80.250 -9.217 44.022 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.326 -9.489 46.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.039 -8.357 46.020 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.629 -10.024 46.488 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.965 -11.387 44.985 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.276 -11.946 44.985 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.106 -11.621 43.445 1.00 0.00 H new ATOM 839 N PHE B 1 96.058 -11.587 22.740 1.00 0.00 N ATOM 840 CA PHE B 1 95.125 -12.712 23.029 1.00 0.00 C ATOM 841 C PHE B 1 95.672 -13.993 22.397 1.00 0.00 C ATOM 842 O PHE B 1 95.650 -14.162 21.194 1.00 0.00 O ATOM 843 CB PHE B 1 93.746 -12.396 22.447 1.00 0.00 C ATOM 844 CG PHE B 1 93.389 -10.954 22.737 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.103 -10.549 24.047 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.343 -10.019 21.692 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.771 -9.214 24.312 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.011 -8.685 21.958 1.00 0.00 C ATOM 849 CZ PHE B 1 92.725 -8.283 23.267 1.00 0.00 C ATOM 0 H1 PHE B 1 95.513 -10.748 22.456 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.612 -11.368 23.592 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.702 -11.859 21.970 1.00 0.00 H new ATOM 0 HA PHE B 1 95.035 -12.848 24.107 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.746 -12.572 21.371 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.997 -13.060 22.879 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.138 -11.266 24.853 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.564 -10.329 20.681 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.550 -8.903 25.322 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.976 -7.966 21.153 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.469 -7.254 23.472 1.00 0.00 H new ATOM 861 N LEU B 2 96.181 -14.888 23.204 1.00 0.00 N ATOM 862 CA LEU B 2 96.756 -16.161 22.669 1.00 0.00 C ATOM 863 C LEU B 2 95.771 -17.312 22.833 1.00 0.00 C ATOM 864 O LEU B 2 95.074 -17.415 23.813 1.00 0.00 O ATOM 865 CB LEU B 2 98.046 -16.492 23.426 1.00 0.00 C ATOM 866 CG LEU B 2 99.055 -15.350 23.265 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.314 -15.675 24.076 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.430 -15.176 21.780 1.00 0.00 C ATOM 0 H LEU B 2 96.224 -14.792 24.219 1.00 0.00 H new ATOM 0 HA LEU B 2 96.965 -16.028 21.608 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.828 -16.649 24.482 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.472 -17.421 23.047 1.00 0.00 H new ATOM 0 HG LEU B 2 98.609 -14.423 23.626 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.037 -14.866 23.966 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.051 -15.786 25.128 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.752 -16.605 23.712 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.147 -14.362 21.679 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.874 -16.099 21.406 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.535 -14.944 21.203 1.00 0.00 H new ATOM 880 N ASP B 3 95.728 -18.190 21.871 1.00 0.00 N ATOM 881 CA ASP B 3 94.807 -19.354 21.963 1.00 0.00 C ATOM 882 C ASP B 3 95.173 -20.165 23.205 1.00 0.00 C ATOM 883 O ASP B 3 94.317 -20.643 23.923 1.00 0.00 O ATOM 884 CB ASP B 3 94.955 -20.233 20.716 1.00 0.00 C ATOM 885 CG ASP B 3 94.371 -19.507 19.500 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.656 -18.540 19.699 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.645 -19.939 18.392 1.00 0.00 O ATOM 0 H ASP B 3 96.293 -18.151 21.023 1.00 0.00 H new ATOM 0 HA ASP B 3 93.776 -19.007 22.030 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.007 -20.463 20.544 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.442 -21.183 20.866 1.00 0.00 H new ATOM 892 N GLY B 4 96.443 -20.313 23.472 1.00 0.00 N ATOM 893 CA GLY B 4 96.871 -21.082 24.675 1.00 0.00 C ATOM 894 C GLY B 4 96.112 -20.564 25.900 1.00 0.00 C ATOM 895 O GLY B 4 96.126 -21.170 26.952 1.00 0.00 O ATOM 0 H GLY B 4 97.203 -19.934 22.908 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.673 -22.144 24.532 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.945 -20.976 24.826 1.00 0.00 H new ATOM 899 N ILE B 5 95.438 -19.457 25.766 1.00 0.00 N ATOM 900 CA ILE B 5 94.663 -18.912 26.914 1.00 0.00 C ATOM 901 C ILE B 5 93.617 -19.946 27.336 1.00 0.00 C ATOM 902 O ILE B 5 93.365 -20.145 28.508 1.00 0.00 O ATOM 903 CB ILE B 5 94.004 -17.584 26.503 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.076 -16.489 26.471 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.903 -17.198 27.501 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.519 -15.239 25.793 1.00 0.00 C ATOM 0 H ILE B 5 95.390 -18.905 24.909 1.00 0.00 H new ATOM 0 HA ILE B 5 95.320 -18.714 27.761 1.00 0.00 H new ATOM 0 HB ILE B 5 93.552 -17.697 25.517 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.396 -16.251 27.485 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.955 -16.844 25.934 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.448 -16.256 27.194 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.142 -17.978 27.523 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.336 -17.085 28.495 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.285 -14.464 25.773 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.221 -15.481 24.773 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.653 -14.879 26.349 1.00 0.00 H new ATOM 918 N ASP B 6 93.019 -20.616 26.391 1.00 0.00 N ATOM 919 CA ASP B 6 92.007 -21.652 26.741 1.00 0.00 C ATOM 920 C ASP B 6 92.686 -22.720 27.603 1.00 0.00 C ATOM 921 O ASP B 6 92.126 -23.211 28.564 1.00 0.00 O ATOM 922 CB ASP B 6 91.459 -22.287 25.460 1.00 0.00 C ATOM 923 CG ASP B 6 90.414 -23.350 25.812 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.409 -23.802 26.945 1.00 0.00 O ATOM 925 OD2 ASP B 6 89.631 -23.690 24.939 1.00 0.00 O ATOM 0 H ASP B 6 93.187 -20.492 25.393 1.00 0.00 H new ATOM 0 HA ASP B 6 91.181 -21.201 27.291 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.012 -21.521 24.826 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.272 -22.738 24.891 1.00 0.00 H new ATOM 930 N LYS B 7 93.897 -23.072 27.270 1.00 0.00 N ATOM 931 CA LYS B 7 94.628 -24.095 28.070 1.00 0.00 C ATOM 932 C LYS B 7 94.777 -23.583 29.504 1.00 0.00 C ATOM 933 O LYS B 7 94.675 -24.330 30.457 1.00 0.00 O ATOM 934 CB LYS B 7 96.015 -24.322 27.457 1.00 0.00 C ATOM 935 CG LYS B 7 96.759 -25.411 28.243 1.00 0.00 C ATOM 936 CD LYS B 7 98.155 -25.644 27.641 1.00 0.00 C ATOM 937 CE LYS B 7 98.066 -26.552 26.408 1.00 0.00 C ATOM 938 NZ LYS B 7 99.440 -26.837 25.904 1.00 0.00 N ATOM 0 H LYS B 7 94.414 -22.694 26.476 1.00 0.00 H new ATOM 0 HA LYS B 7 94.077 -25.036 28.069 1.00 0.00 H new ATOM 0 HB2 LYS B 7 95.917 -24.617 26.412 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.586 -23.394 27.474 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.851 -25.116 29.288 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.187 -26.339 28.223 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.602 -24.689 27.365 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.808 -26.097 28.387 1.00 0.00 H new ATOM 0 HE2 LYS B 7 97.560 -27.483 26.664 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.474 -26.071 25.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.382 -27.453 25.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.907 -25.944 25.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.991 -27.313 26.647 1.00 0.00 H new ATOM 952 N ALA B 8 95.026 -22.311 29.658 1.00 0.00 N ATOM 953 CA ALA B 8 95.192 -21.731 31.023 1.00 0.00 C ATOM 954 C ALA B 8 93.919 -21.944 31.848 1.00 0.00 C ATOM 955 O ALA B 8 93.979 -22.178 33.038 1.00 0.00 O ATOM 956 CB ALA B 8 95.474 -20.234 30.906 1.00 0.00 C ATOM 0 H ALA B 8 95.122 -21.644 28.892 1.00 0.00 H new ATOM 0 HA ALA B 8 96.025 -22.228 31.521 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.596 -19.808 31.902 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.387 -20.080 30.331 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.641 -19.745 30.401 1.00 0.00 H new ATOM 962 N GLN B 9 92.766 -21.861 31.237 1.00 0.00 N ATOM 963 CA GLN B 9 91.508 -22.056 32.015 1.00 0.00 C ATOM 964 C GLN B 9 91.516 -23.456 32.634 1.00 0.00 C ATOM 965 O GLN B 9 91.172 -23.641 33.784 1.00 0.00 O ATOM 966 CB GLN B 9 90.304 -21.935 31.076 1.00 0.00 C ATOM 967 CG GLN B 9 90.138 -20.484 30.619 1.00 0.00 C ATOM 968 CD GLN B 9 89.077 -20.414 29.521 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.917 -21.343 28.754 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.335 -19.345 29.414 1.00 0.00 N ATOM 0 H GLN B 9 92.642 -21.669 30.243 1.00 0.00 H new ATOM 0 HA GLN B 9 91.441 -21.300 32.798 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.441 -22.584 30.211 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.400 -22.270 31.585 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.846 -19.857 31.462 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.087 -20.098 30.248 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.469 -18.565 30.057 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.622 -19.290 28.687 1.00 0.00 H new ATOM 979 N GLU B 10 91.919 -24.436 31.881 1.00 0.00 N ATOM 980 CA GLU B 10 91.969 -25.824 32.418 1.00 0.00 C ATOM 981 C GLU B 10 92.948 -25.892 33.593 1.00 0.00 C ATOM 982 O GLU B 10 92.727 -26.593 34.559 1.00 0.00 O ATOM 983 CB GLU B 10 92.422 -26.783 31.315 1.00 0.00 C ATOM 984 CG GLU B 10 91.318 -26.915 30.265 1.00 0.00 C ATOM 985 CD GLU B 10 90.138 -27.685 30.859 1.00 0.00 C ATOM 986 OE1 GLU B 10 90.340 -28.817 31.266 1.00 0.00 O ATOM 987 OE2 GLU B 10 89.052 -27.129 30.901 1.00 0.00 O ATOM 0 H GLU B 10 92.218 -24.337 30.911 1.00 0.00 H new ATOM 0 HA GLU B 10 90.976 -26.111 32.764 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.337 -26.414 30.851 1.00 0.00 H new ATOM 0 HB3 GLU B 10 92.652 -27.760 31.740 1.00 0.00 H new ATOM 0 HG2 GLU B 10 90.993 -25.927 29.937 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.699 -27.434 29.385 1.00 0.00 H new ATOM 994 N GLU B 11 94.046 -25.188 33.502 1.00 0.00 N ATOM 995 CA GLU B 11 95.065 -25.228 34.597 1.00 0.00 C ATOM 996 C GLU B 11 94.842 -24.081 35.589 1.00 0.00 C ATOM 997 O GLU B 11 95.634 -23.873 36.487 1.00 0.00 O ATOM 998 CB GLU B 11 96.454 -25.087 33.979 1.00 0.00 C ATOM 999 CG GLU B 11 96.756 -26.313 33.115 1.00 0.00 C ATOM 1000 CD GLU B 11 98.142 -26.158 32.489 1.00 0.00 C ATOM 1001 OE1 GLU B 11 98.749 -25.121 32.695 1.00 0.00 O ATOM 1002 OE2 GLU B 11 98.573 -27.080 31.817 1.00 0.00 O ATOM 0 H GLU B 11 94.283 -24.585 32.715 1.00 0.00 H new ATOM 0 HA GLU B 11 94.974 -26.174 35.131 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.504 -24.182 33.374 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.204 -24.988 34.764 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.717 -27.218 33.721 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.001 -26.418 32.335 1.00 0.00 H new ATOM 1009 N CYS B 12 93.782 -23.335 35.447 1.00 0.00 N ATOM 1010 CA CYS B 12 93.544 -22.212 36.403 1.00 0.00 C ATOM 1011 C CYS B 12 93.686 -22.734 37.836 1.00 0.00 C ATOM 1012 O CYS B 12 94.274 -22.097 38.687 1.00 0.00 O ATOM 1013 CB CYS B 12 92.135 -21.651 36.201 1.00 0.00 C ATOM 1014 SG CYS B 12 91.874 -20.259 37.329 1.00 0.00 S ATOM 0 H CYS B 12 93.076 -23.450 34.720 1.00 0.00 H new ATOM 0 HA CYS B 12 94.273 -21.421 36.225 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.006 -21.326 35.169 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.393 -22.427 36.386 1.00 0.00 H new ATOM 0 HG CYS B 12 90.893 -19.525 36.893 1.00 0.00 H new ATOM 1019 N GLU B 13 93.151 -23.892 38.101 1.00 0.00 N ATOM 1020 CA GLU B 13 93.249 -24.476 39.468 1.00 0.00 C ATOM 1021 C GLU B 13 94.719 -24.692 39.839 1.00 0.00 C ATOM 1022 O GLU B 13 95.111 -24.530 40.977 1.00 0.00 O ATOM 1023 CB GLU B 13 92.521 -25.822 39.500 1.00 0.00 C ATOM 1024 CG GLU B 13 91.014 -25.592 39.382 1.00 0.00 C ATOM 1025 CD GLU B 13 90.293 -26.940 39.391 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.971 -27.952 39.467 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.075 -26.940 39.315 1.00 0.00 O ATOM 0 H GLU B 13 92.646 -24.464 37.424 1.00 0.00 H new ATOM 0 HA GLU B 13 92.792 -23.790 40.182 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.868 -26.454 38.683 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.747 -26.348 40.428 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.663 -24.974 40.209 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.788 -25.052 38.462 1.00 0.00 H new ATOM 1034 N LYS B 14 95.531 -25.076 38.892 1.00 0.00 N ATOM 1035 CA LYS B 14 96.969 -25.326 39.192 1.00 0.00 C ATOM 1036 C LYS B 14 97.625 -24.052 39.728 1.00 0.00 C ATOM 1037 O LYS B 14 98.420 -24.095 40.646 1.00 0.00 O ATOM 1038 CB LYS B 14 97.676 -25.783 37.911 1.00 0.00 C ATOM 1039 CG LYS B 14 99.165 -26.056 38.174 1.00 0.00 C ATOM 1040 CD LYS B 14 99.331 -27.157 39.232 1.00 0.00 C ATOM 1041 CE LYS B 14 100.726 -27.781 39.118 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.760 -26.712 39.219 1.00 0.00 N ATOM 0 H LYS B 14 95.259 -25.228 37.921 1.00 0.00 H new ATOM 0 HA LYS B 14 97.052 -26.103 39.952 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.199 -26.686 37.530 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.573 -25.018 37.141 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.655 -26.357 37.248 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.654 -25.142 38.511 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.190 -26.740 40.229 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.568 -27.923 39.096 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.872 -28.518 39.908 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.824 -28.307 38.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.680 -27.140 39.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.828 -26.208 38.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.494 -26.042 39.969 1.00 0.00 H new ATOM 1056 N TYR B 15 97.299 -22.915 39.174 1.00 0.00 N ATOM 1057 CA TYR B 15 97.909 -21.645 39.674 1.00 0.00 C ATOM 1058 C TYR B 15 97.052 -21.107 40.819 1.00 0.00 C ATOM 1059 O TYR B 15 97.453 -20.223 41.547 1.00 0.00 O ATOM 1060 CB TYR B 15 97.968 -20.615 38.545 1.00 0.00 C ATOM 1061 CG TYR B 15 98.922 -21.103 37.478 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.283 -20.785 37.560 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.449 -21.883 36.413 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.170 -21.241 36.579 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.338 -22.340 35.432 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.699 -22.019 35.515 1.00 0.00 C ATOM 1067 OH TYR B 15 101.574 -22.472 34.549 1.00 0.00 O ATOM 0 H TYR B 15 96.641 -22.809 38.402 1.00 0.00 H new ATOM 0 HA TYR B 15 98.923 -21.837 40.026 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.975 -20.465 38.121 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.298 -19.651 38.932 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.649 -20.187 38.382 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.400 -22.131 36.349 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.219 -20.993 36.643 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.974 -22.940 34.611 1.00 0.00 H new ATOM 0 HH TYR B 15 102.277 -21.804 34.405 1.00 0.00 H new ATOM 1077 N HIS B 16 95.874 -21.653 40.985 1.00 0.00 N ATOM 1078 CA HIS B 16 94.973 -21.208 42.087 1.00 0.00 C ATOM 1079 C HIS B 16 94.670 -19.713 41.957 1.00 0.00 C ATOM 1080 O HIS B 16 94.401 -19.212 40.882 1.00 0.00 O ATOM 1081 CB HIS B 16 95.631 -21.497 43.442 1.00 0.00 C ATOM 1082 CG HIS B 16 96.004 -22.952 43.510 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.249 -24.084 43.692 1.00 0.00 N flip ATOM 1084 CD2 HIS B 16 97.314 -23.388 43.372 1.00 0.00 C flip ATOM 1085 CE1 HIS B 16 96.075 -25.201 43.666 1.00 0.00 C flip ATOM 1086 NE2 HIS B 16 97.307 -24.730 43.471 1.00 0.00 N flip ATOM 0 H HIS B 16 95.496 -22.396 40.397 1.00 0.00 H new ATOM 0 HA HIS B 16 94.034 -21.758 42.020 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.517 -20.876 43.569 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.947 -21.246 44.253 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.181 -22.764 43.214 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.781 -26.234 43.780 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.141 -25.314 43.405 1.00 0.00 H new ATOM 1095 N SER B 17 94.692 -19.003 43.051 1.00 0.00 N ATOM 1096 CA SER B 17 94.388 -17.544 43.011 1.00 0.00 C ATOM 1097 C SER B 17 95.626 -16.760 42.577 1.00 0.00 C ATOM 1098 O SER B 17 95.568 -15.572 42.338 1.00 0.00 O ATOM 1099 CB SER B 17 93.972 -17.085 44.405 1.00 0.00 C ATOM 1100 OG SER B 17 95.108 -17.087 45.260 1.00 0.00 O ATOM 0 H SER B 17 94.909 -19.373 43.977 1.00 0.00 H new ATOM 0 HA SER B 17 93.583 -17.365 42.298 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.540 -16.085 44.357 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.202 -17.746 44.803 1.00 0.00 H new ATOM 0 HG SER B 17 94.844 -16.791 46.156 1.00 0.00 H new ATOM 1106 N ASN B 18 96.746 -17.413 42.483 1.00 0.00 N ATOM 1107 CA ASN B 18 97.987 -16.695 42.076 1.00 0.00 C ATOM 1108 C ASN B 18 98.001 -16.515 40.559 1.00 0.00 C ATOM 1109 O ASN B 18 98.709 -17.199 39.848 1.00 0.00 O ATOM 1110 CB ASN B 18 99.213 -17.513 42.478 1.00 0.00 C ATOM 1111 CG ASN B 18 99.357 -17.521 43.999 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.814 -16.674 44.681 1.00 0.00 O ATOM 1113 ND2 ASN B 18 100.085 -18.446 44.560 1.00 0.00 N ATOM 0 H ASN B 18 96.859 -18.410 42.669 1.00 0.00 H new ATOM 0 HA ASN B 18 98.010 -15.723 42.569 1.00 0.00 H new ATOM 0 HB2 ASN B 18 99.117 -18.534 42.108 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.108 -17.091 42.021 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.200 -18.460 45.573 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.540 -19.156 43.985 1.00 0.00 H new ATOM 1120 N TRP B 19 97.230 -15.591 40.057 1.00 0.00 N ATOM 1121 CA TRP B 19 97.209 -15.360 38.589 1.00 0.00 C ATOM 1122 C TRP B 19 98.535 -14.729 38.155 1.00 0.00 C ATOM 1123 O TRP B 19 98.930 -14.819 37.010 1.00 0.00 O ATOM 1124 CB TRP B 19 96.051 -14.426 38.244 1.00 0.00 C ATOM 1125 CG TRP B 19 96.223 -13.134 38.972 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.758 -12.881 40.216 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.893 -11.918 38.530 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.100 -11.588 40.566 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.800 -10.953 39.559 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.566 -11.563 37.346 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.352 -9.681 39.421 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.124 -10.282 37.203 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.017 -9.343 38.239 1.00 0.00 C ATOM 0 H TRP B 19 96.614 -14.987 40.601 1.00 0.00 H new ATOM 0 HA TRP B 19 97.076 -16.308 38.067 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.020 -14.249 37.169 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.103 -14.888 38.519 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.209 -13.575 40.835 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.864 -11.156 41.459 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.654 -12.280 36.543 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.267 -8.961 40.222 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.638 -10.019 36.290 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.448 -8.359 38.124 1.00 0.00 H new ATOM 1144 N ARG B 20 99.224 -14.090 39.062 1.00 0.00 N ATOM 1145 CA ARG B 20 100.526 -13.454 38.706 1.00 0.00 C ATOM 1146 C ARG B 20 101.506 -14.515 38.210 1.00 0.00 C ATOM 1147 O ARG B 20 102.229 -14.306 37.256 1.00 0.00 O ATOM 1148 CB ARG B 20 101.103 -12.762 39.939 1.00 0.00 C ATOM 1149 CG ARG B 20 100.260 -11.532 40.274 1.00 0.00 C ATOM 1150 CD ARG B 20 100.837 -10.839 41.509 1.00 0.00 C ATOM 1151 NE ARG B 20 100.029 -9.626 41.823 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.123 -9.069 42.998 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.897 -9.593 43.908 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.440 -7.988 43.264 1.00 0.00 N ATOM 0 H ARG B 20 98.941 -13.981 40.036 1.00 0.00 H new ATOM 0 HA ARG B 20 100.365 -12.722 37.915 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.113 -13.450 40.784 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.136 -12.469 39.754 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.250 -10.844 39.429 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.227 -11.825 40.458 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.831 -11.522 42.358 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.876 -10.561 41.331 1.00 0.00 H new ATOM 0 HE ARG B 20 99.404 -9.233 41.120 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.429 -10.438 43.700 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.971 -9.157 44.827 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.833 -7.580 42.553 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.513 -7.552 44.183 1.00 0.00 H new ATOM 1168 N ALA B 21 101.535 -15.654 38.840 1.00 0.00 N ATOM 1169 CA ALA B 21 102.468 -16.718 38.384 1.00 0.00 C ATOM 1170 C ALA B 21 102.020 -17.194 37.003 1.00 0.00 C ATOM 1171 O ALA B 21 102.825 -17.413 36.119 1.00 0.00 O ATOM 1172 CB ALA B 21 102.440 -17.890 39.370 1.00 0.00 C ATOM 0 H ALA B 21 100.957 -15.893 39.646 1.00 0.00 H new ATOM 0 HA ALA B 21 103.484 -16.327 38.334 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.125 -18.667 39.031 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.745 -17.542 40.357 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.430 -18.296 39.424 1.00 0.00 H new ATOM 1178 N MET B 22 100.738 -17.342 36.807 1.00 0.00 N ATOM 1179 CA MET B 22 100.236 -17.789 35.480 1.00 0.00 C ATOM 1180 C MET B 22 100.596 -16.739 34.426 1.00 0.00 C ATOM 1181 O MET B 22 101.070 -17.057 33.355 1.00 0.00 O ATOM 1182 CB MET B 22 98.717 -17.963 35.543 1.00 0.00 C ATOM 1183 CG MET B 22 98.200 -18.435 34.182 1.00 0.00 C ATOM 1184 SD MET B 22 96.443 -18.855 34.311 1.00 0.00 S ATOM 1185 CE MET B 22 95.850 -17.218 34.804 1.00 0.00 C ATOM 0 H MET B 22 100.018 -17.172 37.509 1.00 0.00 H new ATOM 0 HA MET B 22 100.694 -18.741 35.213 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.455 -18.687 36.314 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.243 -17.020 35.817 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.343 -17.653 33.436 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.768 -19.303 33.847 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.803 -17.109 34.520 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.946 -17.106 35.884 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.443 -16.451 34.306 1.00 0.00 H new ATOM 1195 N ALA B 23 100.384 -15.488 34.722 1.00 0.00 N ATOM 1196 CA ALA B 23 100.721 -14.424 33.735 1.00 0.00 C ATOM 1197 C ALA B 23 102.203 -14.530 33.367 1.00 0.00 C ATOM 1198 O ALA B 23 102.584 -14.372 32.225 1.00 0.00 O ATOM 1199 CB ALA B 23 100.451 -13.052 34.356 1.00 0.00 C ATOM 0 H ALA B 23 99.992 -15.156 35.603 1.00 0.00 H new ATOM 0 HA ALA B 23 100.110 -14.546 32.841 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.697 -12.272 33.636 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.398 -12.976 34.628 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.065 -12.929 35.248 1.00 0.00 H new ATOM 1205 N SER B 24 103.039 -14.798 34.332 1.00 0.00 N ATOM 1206 CA SER B 24 104.498 -14.918 34.054 1.00 0.00 C ATOM 1207 C SER B 24 104.760 -16.168 33.211 1.00 0.00 C ATOM 1208 O SER B 24 105.632 -16.187 32.364 1.00 0.00 O ATOM 1209 CB SER B 24 105.260 -15.026 35.376 1.00 0.00 C ATOM 1210 OG SER B 24 106.654 -14.909 35.127 1.00 0.00 O ATOM 0 H SER B 24 102.773 -14.940 35.306 1.00 0.00 H new ATOM 0 HA SER B 24 104.836 -14.037 33.508 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.935 -14.243 36.061 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.044 -15.980 35.856 1.00 0.00 H new ATOM 0 HG SER B 24 107.144 -14.976 35.973 1.00 0.00 H new ATOM 1216 N ASP B 25 104.019 -17.216 33.442 1.00 0.00 N ATOM 1217 CA ASP B 25 104.233 -18.468 32.660 1.00 0.00 C ATOM 1218 C ASP B 25 103.796 -18.252 31.217 1.00 0.00 C ATOM 1219 O ASP B 25 104.458 -18.664 30.286 1.00 0.00 O ATOM 1220 CB ASP B 25 103.389 -19.587 33.265 1.00 0.00 C ATOM 1221 CG ASP B 25 103.755 -20.918 32.606 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.310 -20.885 31.519 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.477 -21.947 33.198 1.00 0.00 O ATOM 0 H ASP B 25 103.275 -17.261 34.138 1.00 0.00 H new ATOM 0 HA ASP B 25 105.289 -18.735 32.689 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.558 -19.643 34.340 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.329 -19.377 33.120 1.00 0.00 H new ATOM 1228 N PHE B 26 102.680 -17.611 31.028 1.00 0.00 N ATOM 1229 CA PHE B 26 102.176 -17.362 29.641 1.00 0.00 C ATOM 1230 C PHE B 26 102.631 -15.972 29.171 1.00 0.00 C ATOM 1231 O PHE B 26 102.351 -15.560 28.063 1.00 0.00 O ATOM 1232 CB PHE B 26 100.645 -17.442 29.638 1.00 0.00 C ATOM 1233 CG PHE B 26 100.205 -18.876 29.859 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.995 -19.351 31.161 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.997 -19.728 28.766 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.583 -20.671 31.369 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.583 -21.049 28.976 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.377 -21.521 30.278 1.00 0.00 C ATOM 0 H PHE B 26 102.089 -17.245 31.774 1.00 0.00 H new ATOM 0 HA PHE B 26 102.577 -18.115 28.962 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.237 -16.802 30.420 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.254 -17.074 28.689 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.152 -18.696 32.005 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.156 -19.366 27.761 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.424 -21.034 32.373 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.422 -21.705 28.133 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.059 -22.541 30.439 1.00 0.00 H new ATOM 1248 N ASN B 27 103.345 -15.254 30.002 1.00 0.00 N ATOM 1249 CA ASN B 27 103.837 -13.899 29.605 1.00 0.00 C ATOM 1250 C ASN B 27 102.678 -13.040 29.089 1.00 0.00 C ATOM 1251 O ASN B 27 102.766 -12.443 28.034 1.00 0.00 O ATOM 1252 CB ASN B 27 104.889 -14.037 28.500 1.00 0.00 C ATOM 1253 CG ASN B 27 106.161 -14.685 29.060 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.394 -14.657 30.346 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.956 -15.223 28.316 1.00 0.00 N flip ATOM 0 H ASN B 27 103.609 -15.549 30.942 1.00 0.00 H new ATOM 0 HA ASN B 27 104.277 -13.419 30.479 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.493 -14.641 27.684 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.123 -13.056 28.086 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.779 -15.248 27.312 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.801 -15.650 28.695 1.00 0.00 H new ATOM 1262 N LEU B 28 101.593 -12.967 29.828 1.00 0.00 N ATOM 1263 CA LEU B 28 100.416 -12.139 29.391 1.00 0.00 C ATOM 1264 C LEU B 28 100.117 -11.069 30.455 1.00 0.00 C ATOM 1265 O LEU B 28 100.376 -11.272 31.624 1.00 0.00 O ATOM 1266 CB LEU B 28 99.191 -13.050 29.254 1.00 0.00 C ATOM 1267 CG LEU B 28 99.342 -13.968 28.025 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.421 -15.187 28.164 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.962 -13.209 26.742 1.00 0.00 C ATOM 0 H LEU B 28 101.470 -13.447 30.719 1.00 0.00 H new ATOM 0 HA LEU B 28 100.641 -11.660 28.438 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.075 -13.653 30.155 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.289 -12.446 29.157 1.00 0.00 H new ATOM 0 HG LEU B 28 100.381 -14.292 27.966 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.534 -15.830 27.291 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.688 -15.744 29.062 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.386 -14.854 28.238 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.073 -13.869 25.882 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.927 -12.874 26.811 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.616 -12.345 26.623 1.00 0.00 H new ATOM 1281 N PRO B 29 99.566 -9.940 30.061 1.00 0.00 N ATOM 1282 CA PRO B 29 99.224 -8.839 31.015 1.00 0.00 C ATOM 1283 C PRO B 29 98.042 -9.215 31.926 1.00 0.00 C ATOM 1284 O PRO B 29 97.287 -10.120 31.628 1.00 0.00 O ATOM 1285 CB PRO B 29 98.867 -7.658 30.098 1.00 0.00 C ATOM 1286 CG PRO B 29 98.401 -8.288 28.826 1.00 0.00 C ATOM 1287 CD PRO B 29 99.209 -9.580 28.674 1.00 0.00 C ATOM 0 HA PRO B 29 100.044 -8.614 31.697 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.088 -7.036 30.540 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.730 -7.015 29.928 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.332 -8.498 28.864 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.565 -7.623 27.978 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.622 -10.364 28.196 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.096 -9.427 28.060 1.00 0.00 H new ATOM 1295 N PRO B 30 97.887 -8.529 33.031 1.00 0.00 N ATOM 1296 CA PRO B 30 96.785 -8.800 34.005 1.00 0.00 C ATOM 1297 C PRO B 30 95.400 -8.807 33.339 1.00 0.00 C ATOM 1298 O PRO B 30 94.472 -9.418 33.831 1.00 0.00 O ATOM 1299 CB PRO B 30 96.902 -7.652 35.038 1.00 0.00 C ATOM 1300 CG PRO B 30 97.818 -6.640 34.415 1.00 0.00 C ATOM 1301 CD PRO B 30 98.736 -7.418 33.480 1.00 0.00 C ATOM 0 HA PRO B 30 96.881 -9.788 34.455 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.926 -7.217 35.253 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.304 -8.015 35.984 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.251 -5.887 33.867 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.393 -6.114 35.177 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.074 -6.805 32.644 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.628 -7.775 33.995 1.00 0.00 H new ATOM 1309 N VAL B 31 95.249 -8.138 32.228 1.00 0.00 N ATOM 1310 CA VAL B 31 93.919 -8.118 31.552 1.00 0.00 C ATOM 1311 C VAL B 31 93.512 -9.545 31.189 1.00 0.00 C ATOM 1312 O VAL B 31 92.416 -9.980 31.476 1.00 0.00 O ATOM 1313 CB VAL B 31 94.013 -7.278 30.272 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.741 -7.458 29.431 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.168 -5.802 30.643 1.00 0.00 C ATOM 0 H VAL B 31 95.984 -7.607 31.761 1.00 0.00 H new ATOM 0 HA VAL B 31 93.176 -7.685 32.222 1.00 0.00 H new ATOM 0 HB VAL B 31 94.876 -7.606 29.693 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.816 -6.858 28.524 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.628 -8.508 29.163 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.874 -7.136 30.008 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.235 -5.204 29.734 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.305 -5.481 31.226 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.075 -5.668 31.233 1.00 0.00 H new ATOM 1325 N VAL B 32 94.384 -10.274 30.557 1.00 0.00 N ATOM 1326 CA VAL B 32 94.042 -11.668 30.173 1.00 0.00 C ATOM 1327 C VAL B 32 94.061 -12.570 31.407 1.00 0.00 C ATOM 1328 O VAL B 32 93.196 -13.400 31.594 1.00 0.00 O ATOM 1329 CB VAL B 32 95.065 -12.184 29.167 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.736 -13.631 28.808 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.027 -11.318 27.906 1.00 0.00 C ATOM 0 H VAL B 32 95.319 -9.965 30.290 1.00 0.00 H new ATOM 0 HA VAL B 32 93.046 -11.679 29.730 1.00 0.00 H new ATOM 0 HB VAL B 32 96.062 -12.136 29.604 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.466 -14.002 28.089 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.768 -14.245 29.708 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.739 -13.680 28.371 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.759 -11.688 27.188 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.031 -11.362 27.464 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.264 -10.286 28.166 1.00 0.00 H new ATOM 1341 N ALA B 33 95.053 -12.426 32.243 1.00 0.00 N ATOM 1342 CA ALA B 33 95.140 -13.291 33.452 1.00 0.00 C ATOM 1343 C ALA B 33 93.899 -13.091 34.318 1.00 0.00 C ATOM 1344 O ALA B 33 93.230 -14.034 34.689 1.00 0.00 O ATOM 1345 CB ALA B 33 96.390 -12.915 34.244 1.00 0.00 C ATOM 0 H ALA B 33 95.807 -11.746 32.140 1.00 0.00 H new ATOM 0 HA ALA B 33 95.198 -14.337 33.153 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.461 -13.544 35.131 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.273 -13.063 33.622 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.329 -11.869 34.545 1.00 0.00 H new ATOM 1351 N LYS B 34 93.576 -11.872 34.630 1.00 0.00 N ATOM 1352 CA LYS B 34 92.365 -11.618 35.455 1.00 0.00 C ATOM 1353 C LYS B 34 91.126 -12.156 34.736 1.00 0.00 C ATOM 1354 O LYS B 34 90.239 -12.719 35.345 1.00 0.00 O ATOM 1355 CB LYS B 34 92.221 -10.118 35.704 1.00 0.00 C ATOM 1356 CG LYS B 34 93.328 -9.657 36.656 1.00 0.00 C ATOM 1357 CD LYS B 34 93.196 -8.155 36.914 1.00 0.00 C ATOM 1358 CE LYS B 34 94.304 -7.702 37.868 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.002 -8.197 39.242 1.00 0.00 N ATOM 0 H LYS B 34 94.096 -11.040 34.351 1.00 0.00 H new ATOM 0 HA LYS B 34 92.465 -12.129 36.413 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.285 -9.573 34.762 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.243 -9.901 36.132 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.263 -10.204 37.596 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.305 -9.877 36.226 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.264 -7.606 35.975 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.219 -7.933 37.343 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.268 -8.087 37.534 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.378 -6.614 37.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.877 -7.388 39.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.129 -8.762 39.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.789 -8.787 39.579 1.00 0.00 H new ATOM 1373 N GLU B 35 91.056 -11.983 33.444 1.00 0.00 N ATOM 1374 CA GLU B 35 89.871 -12.480 32.688 1.00 0.00 C ATOM 1375 C GLU B 35 89.764 -14.001 32.839 1.00 0.00 C ATOM 1376 O GLU B 35 88.686 -14.541 32.994 1.00 0.00 O ATOM 1377 CB GLU B 35 90.025 -12.126 31.206 1.00 0.00 C ATOM 1378 CG GLU B 35 88.714 -12.409 30.461 1.00 0.00 C ATOM 1379 CD GLU B 35 88.560 -13.914 30.240 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.431 -14.494 29.613 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.575 -14.463 30.706 1.00 0.00 O ATOM 0 H GLU B 35 91.768 -11.519 32.879 1.00 0.00 H new ATOM 0 HA GLU B 35 88.969 -12.012 33.083 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.293 -11.075 31.101 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.836 -12.708 30.767 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.869 -12.028 31.035 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.709 -11.889 29.503 1.00 0.00 H new ATOM 1388 N ILE B 36 90.867 -14.702 32.803 1.00 0.00 N ATOM 1389 CA ILE B 36 90.804 -16.183 32.957 1.00 0.00 C ATOM 1390 C ILE B 36 90.181 -16.494 34.320 1.00 0.00 C ATOM 1391 O ILE B 36 89.328 -17.349 34.450 1.00 0.00 O ATOM 1392 CB ILE B 36 92.218 -16.770 32.875 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.750 -16.624 31.442 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.190 -18.255 33.256 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.251 -16.940 31.407 1.00 0.00 C ATOM 0 H ILE B 36 91.802 -14.315 32.674 1.00 0.00 H new ATOM 0 HA ILE B 36 90.201 -16.624 32.163 1.00 0.00 H new ATOM 0 HB ILE B 36 92.868 -16.233 33.566 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.212 -17.298 30.775 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.574 -15.611 31.081 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.198 -18.665 33.195 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.815 -18.362 34.274 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.537 -18.794 32.570 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.621 -16.834 30.387 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.784 -16.249 32.060 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.416 -17.962 31.749 1.00 0.00 H new ATOM 1407 N VAL B 37 90.586 -15.774 35.331 1.00 0.00 N ATOM 1408 CA VAL B 37 90.010 -15.981 36.690 1.00 0.00 C ATOM 1409 C VAL B 37 88.538 -15.563 36.646 1.00 0.00 C ATOM 1410 O VAL B 37 87.680 -16.187 37.238 1.00 0.00 O ATOM 1411 CB VAL B 37 90.766 -15.101 37.692 1.00 0.00 C ATOM 1412 CG1 VAL B 37 90.257 -15.374 39.104 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.262 -15.416 37.625 1.00 0.00 C ATOM 0 H VAL B 37 91.297 -15.045 35.273 1.00 0.00 H new ATOM 0 HA VAL B 37 90.097 -17.024 36.994 1.00 0.00 H new ATOM 0 HB VAL B 37 90.601 -14.053 37.443 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.797 -14.747 39.813 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.192 -15.148 39.157 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.418 -16.423 39.352 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.798 -14.790 38.338 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.424 -16.466 37.871 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.631 -15.218 36.619 1.00 0.00 H new ATOM 1423 N ALA B 38 88.254 -14.500 35.943 1.00 0.00 N ATOM 1424 CA ALA B 38 86.852 -14.002 35.836 1.00 0.00 C ATOM 1425 C ALA B 38 85.946 -15.072 35.215 1.00 0.00 C ATOM 1426 O ALA B 38 84.741 -15.033 35.370 1.00 0.00 O ATOM 1427 CB ALA B 38 86.825 -12.756 34.950 1.00 0.00 C ATOM 0 H ALA B 38 88.943 -13.948 35.432 1.00 0.00 H new ATOM 0 HA ALA B 38 86.489 -13.764 36.836 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.802 -12.389 34.869 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.454 -11.983 35.390 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.200 -13.007 33.958 1.00 0.00 H new ATOM 1433 N SER B 39 86.502 -16.019 34.497 1.00 0.00 N ATOM 1434 CA SER B 39 85.644 -17.070 33.857 1.00 0.00 C ATOM 1435 C SER B 39 85.576 -18.310 34.749 1.00 0.00 C ATOM 1436 O SER B 39 84.608 -19.044 34.725 1.00 0.00 O ATOM 1437 CB SER B 39 86.244 -17.459 32.506 1.00 0.00 C ATOM 1438 OG SER B 39 86.194 -16.341 31.630 1.00 0.00 O ATOM 0 H SER B 39 87.503 -16.111 34.327 1.00 0.00 H new ATOM 0 HA SER B 39 84.639 -16.671 33.719 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.275 -17.789 32.635 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.693 -18.296 32.078 1.00 0.00 H new ATOM 0 HG SER B 39 87.076 -15.915 31.593 1.00 0.00 H new ATOM 1444 N CYS B 40 86.579 -18.549 35.544 1.00 0.00 N ATOM 1445 CA CYS B 40 86.538 -19.740 36.435 1.00 0.00 C ATOM 1446 C CYS B 40 85.326 -19.614 37.360 1.00 0.00 C ATOM 1447 O CYS B 40 85.010 -18.543 37.838 1.00 0.00 O ATOM 1448 CB CYS B 40 87.817 -19.801 37.266 1.00 0.00 C ATOM 1449 SG CYS B 40 87.906 -21.388 38.131 1.00 0.00 S ATOM 0 H CYS B 40 87.420 -17.976 35.616 1.00 0.00 H new ATOM 0 HA CYS B 40 86.459 -20.650 35.841 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.687 -19.678 36.621 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.834 -18.982 37.985 1.00 0.00 H new ATOM 0 HG CYS B 40 88.997 -21.437 38.836 1.00 0.00 H new ATOM 1454 N ASP B 41 84.636 -20.691 37.604 1.00 0.00 N ATOM 1455 CA ASP B 41 83.438 -20.617 38.485 1.00 0.00 C ATOM 1456 C ASP B 41 83.866 -20.547 39.954 1.00 0.00 C ATOM 1457 O ASP B 41 83.212 -19.928 40.770 1.00 0.00 O ATOM 1458 CB ASP B 41 82.572 -21.861 38.271 1.00 0.00 C ATOM 1459 CG ASP B 41 81.959 -21.820 36.870 1.00 0.00 C ATOM 1460 OD1 ASP B 41 82.006 -20.768 36.254 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.459 -22.844 36.434 1.00 0.00 O ATOM 0 H ASP B 41 84.848 -21.617 37.233 1.00 0.00 H new ATOM 0 HA ASP B 41 82.869 -19.721 38.235 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.174 -22.762 38.390 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.784 -21.903 39.023 1.00 0.00 H new ATOM 1466 N LYS B 42 84.943 -21.195 40.302 1.00 0.00 N ATOM 1467 CA LYS B 42 85.396 -21.186 41.724 1.00 0.00 C ATOM 1468 C LYS B 42 85.954 -19.811 42.112 1.00 0.00 C ATOM 1469 O LYS B 42 85.728 -19.332 43.206 1.00 0.00 O ATOM 1470 CB LYS B 42 86.486 -22.244 41.904 1.00 0.00 C ATOM 1471 CG LYS B 42 85.873 -23.638 41.754 1.00 0.00 C ATOM 1472 CD LYS B 42 86.959 -24.700 41.933 1.00 0.00 C ATOM 1473 CE LYS B 42 86.344 -26.092 41.770 1.00 0.00 C ATOM 1474 NZ LYS B 42 87.382 -27.130 42.027 1.00 0.00 N ATOM 0 H LYS B 42 85.530 -21.731 39.663 1.00 0.00 H new ATOM 0 HA LYS B 42 84.543 -21.405 42.366 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.274 -22.100 41.164 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.948 -22.142 42.886 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.085 -23.781 42.494 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.410 -23.739 40.772 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.751 -24.553 41.199 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.416 -24.606 42.918 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.512 -26.216 42.463 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.941 -26.207 40.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.924 -28.056 42.151 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 88.037 -27.173 41.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.910 -26.887 42.889 1.00 0.00 H new ATOM 1488 N CYS B 43 86.692 -19.176 41.240 1.00 0.00 N ATOM 1489 CA CYS B 43 87.265 -17.841 41.589 1.00 0.00 C ATOM 1490 C CYS B 43 86.220 -16.741 41.396 1.00 0.00 C ATOM 1491 O CYS B 43 86.433 -15.605 41.772 1.00 0.00 O ATOM 1492 CB CYS B 43 88.482 -17.537 40.718 1.00 0.00 C ATOM 1493 SG CYS B 43 89.730 -18.830 40.945 1.00 0.00 S ATOM 0 H CYS B 43 86.922 -19.520 40.308 1.00 0.00 H new ATOM 0 HA CYS B 43 87.569 -17.869 42.635 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.187 -17.482 39.670 1.00 0.00 H new ATOM 0 HB3 CYS B 43 88.898 -16.565 40.983 1.00 0.00 H new ATOM 0 HG CYS B 43 90.764 -18.570 40.201 1.00 0.00 H new ATOM 1498 N GLN B 44 85.100 -17.050 40.803 1.00 0.00 N ATOM 1499 CA GLN B 44 84.074 -15.993 40.586 1.00 0.00 C ATOM 1500 C GLN B 44 83.479 -15.579 41.932 1.00 0.00 C ATOM 1501 O GLN B 44 83.577 -14.439 42.340 1.00 0.00 O ATOM 1502 CB GLN B 44 82.965 -16.547 39.688 1.00 0.00 C ATOM 1503 CG GLN B 44 81.989 -15.430 39.316 1.00 0.00 C ATOM 1504 CD GLN B 44 82.697 -14.412 38.422 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.322 -14.776 37.446 1.00 0.00 O ATOM 1506 NE2 GLN B 44 82.630 -13.144 38.716 1.00 0.00 N ATOM 0 H GLN B 44 84.853 -17.979 40.462 1.00 0.00 H new ATOM 0 HA GLN B 44 84.533 -15.126 40.110 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.398 -16.979 38.786 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.435 -17.348 40.203 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.124 -15.845 38.798 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.617 -14.942 40.217 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.105 -12.837 39.535 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.102 -12.458 38.127 1.00 0.00 H new ATOM 1515 N LEU B 45 82.880 -16.498 42.634 1.00 0.00 N ATOM 1516 CA LEU B 45 82.297 -16.164 43.969 1.00 0.00 C ATOM 1517 C LEU B 45 83.357 -16.400 45.044 1.00 0.00 C ATOM 1518 O LEU B 45 84.345 -17.071 44.819 1.00 0.00 O ATOM 1519 CB LEU B 45 81.081 -17.049 44.249 1.00 0.00 C ATOM 1520 CG LEU B 45 80.009 -16.832 43.173 1.00 0.00 C ATOM 1521 CD1 LEU B 45 78.808 -17.731 43.482 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.562 -15.356 43.149 1.00 0.00 C ATOM 0 H LEU B 45 82.767 -17.469 42.343 1.00 0.00 H new ATOM 0 HA LEU B 45 81.982 -15.121 43.976 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.381 -18.097 44.268 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.672 -16.817 45.232 1.00 0.00 H new ATOM 0 HG LEU B 45 80.422 -17.084 42.196 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.039 -17.585 42.723 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.125 -18.774 43.482 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.404 -17.475 44.461 1.00 0.00 H new ATOM 0 HD21 LEU B 45 78.801 -15.219 42.380 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.149 -15.085 44.121 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.419 -14.720 42.929 1.00 0.00 H new