USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 147:sc= 0.429 (180deg=0.068) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.012 (180deg=-0.326) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.111) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -61:sc= 0.753 USER MOD Single : A 18 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.5!) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.0611 (180deg=-0.887) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0638 K(o=-0.064,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 114:sc= 0.0163 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.0362 (180deg=-0.303) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-0.24) USER MOD Single : A 53 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.5!) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.329 (180deg=0.027) USER MOD Single : B 7 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.145) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0257) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -83:sc= 0.784 USER MOD Single : B 18 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.7!) USER MOD Single : B 22 MET CE :methyl -161:sc= -0.101 (180deg=-0.85) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0503 K(o=-0.05,f=-1.8!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 103:sc= -0.447 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -2.1! K(o=-2.1!,f=-1.3) USER MOD Single : B 46 LYS NZ :NH3+ 158:sc= -0.0331 (180deg=-0.338) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.37) USER MOD Single : B 53 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.508 -3.805 24.366 1.00 0.00 N ATOM 2 CA PHE A 1 94.381 -4.485 25.687 1.00 0.00 C ATOM 3 C PHE A 1 93.985 -3.465 26.758 1.00 0.00 C ATOM 4 O PHE A 1 92.824 -3.143 26.923 1.00 0.00 O ATOM 5 CB PHE A 1 95.721 -5.119 26.073 1.00 0.00 C ATOM 6 CG PHE A 1 96.026 -6.283 25.157 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.511 -7.555 25.437 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.834 -6.088 24.030 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.804 -8.632 24.590 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.129 -7.164 23.185 1.00 0.00 C ATOM 11 CZ PHE A 1 96.615 -8.436 23.465 1.00 0.00 C ATOM 0 H1 PHE A 1 95.254 -4.267 23.808 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.604 -3.868 23.855 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.754 -2.805 24.512 1.00 0.00 H new ATOM 0 HA PHE A 1 93.616 -5.258 25.615 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.516 -4.376 26.008 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.687 -5.459 27.108 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.888 -7.706 26.306 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.230 -5.107 23.813 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.405 -9.612 24.804 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.753 -7.013 22.317 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.844 -9.266 22.813 1.00 0.00 H new ATOM 23 N LEU A 2 94.939 -2.953 27.483 1.00 0.00 N ATOM 24 CA LEU A 2 94.626 -1.954 28.541 1.00 0.00 C ATOM 25 C LEU A 2 94.052 -0.692 27.899 1.00 0.00 C ATOM 26 O LEU A 2 93.116 -0.098 28.395 1.00 0.00 O ATOM 27 CB LEU A 2 95.917 -1.600 29.285 1.00 0.00 C ATOM 28 CG LEU A 2 96.493 -2.865 29.941 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.971 -2.648 30.276 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.725 -3.182 31.232 1.00 0.00 C ATOM 0 H LEU A 2 95.928 -3.185 27.387 1.00 0.00 H new ATOM 0 HA LEU A 2 93.896 -2.370 29.236 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.643 -1.173 28.593 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.717 -0.843 30.043 1.00 0.00 H new ATOM 0 HG LEU A 2 96.394 -3.698 29.245 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.375 -3.548 30.741 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.524 -2.433 29.361 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.069 -1.809 30.965 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.139 -4.080 31.691 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.817 -2.345 31.925 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.673 -3.346 30.999 1.00 0.00 H new ATOM 42 N ASP A 3 94.616 -0.274 26.800 1.00 0.00 N ATOM 43 CA ASP A 3 94.120 0.956 26.126 1.00 0.00 C ATOM 44 C ASP A 3 92.686 0.741 25.640 1.00 0.00 C ATOM 45 O ASP A 3 91.847 1.613 25.753 1.00 0.00 O ATOM 46 CB ASP A 3 95.010 1.271 24.926 1.00 0.00 C ATOM 47 CG ASP A 3 96.390 1.727 25.407 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.456 2.740 26.080 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.359 1.053 25.092 1.00 0.00 O ATOM 0 H ASP A 3 95.401 -0.733 26.339 1.00 0.00 H new ATOM 0 HA ASP A 3 94.143 1.784 26.834 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.109 0.389 24.294 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.552 2.050 24.317 1.00 0.00 H new ATOM 54 N GLY A 4 92.388 -0.410 25.111 1.00 0.00 N ATOM 55 CA GLY A 4 91.000 -0.660 24.633 1.00 0.00 C ATOM 56 C GLY A 4 90.049 -0.577 25.824 1.00 0.00 C ATOM 57 O GLY A 4 88.936 -0.108 25.716 1.00 0.00 O ATOM 0 H GLY A 4 93.040 -1.185 24.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.723 0.074 23.877 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.933 -1.642 24.164 1.00 0.00 H new ATOM 61 N ILE A 5 90.486 -1.031 26.966 1.00 0.00 N ATOM 62 CA ILE A 5 89.622 -0.984 28.173 1.00 0.00 C ATOM 63 C ILE A 5 89.396 0.471 28.602 1.00 0.00 C ATOM 64 O ILE A 5 88.317 0.838 29.029 1.00 0.00 O ATOM 65 CB ILE A 5 90.279 -1.776 29.312 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.198 -3.275 28.998 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.558 -1.481 30.634 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.026 -4.075 30.007 1.00 0.00 C ATOM 0 H ILE A 5 91.411 -1.435 27.113 1.00 0.00 H new ATOM 0 HA ILE A 5 88.657 -1.433 27.939 1.00 0.00 H new ATOM 0 HB ILE A 5 91.324 -1.480 29.406 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.159 -3.604 29.028 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.563 -3.462 27.988 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.028 -2.046 31.439 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.622 -0.415 30.853 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.511 -1.772 30.550 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.959 -5.137 29.772 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.067 -3.757 29.957 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.642 -3.901 31.012 1.00 0.00 H new ATOM 80 N ASP A 6 90.401 1.298 28.527 1.00 0.00 N ATOM 81 CA ASP A 6 90.217 2.710 28.969 1.00 0.00 C ATOM 82 C ASP A 6 89.114 3.380 28.154 1.00 0.00 C ATOM 83 O ASP A 6 88.288 4.091 28.688 1.00 0.00 O ATOM 84 CB ASP A 6 91.523 3.487 28.780 1.00 0.00 C ATOM 85 CG ASP A 6 92.539 3.064 29.844 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.140 2.420 30.797 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.700 3.388 29.684 1.00 0.00 O ATOM 0 H ASP A 6 91.332 1.062 28.183 1.00 0.00 H new ATOM 0 HA ASP A 6 89.937 2.711 30.022 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.927 3.301 27.785 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.333 4.558 28.851 1.00 0.00 H new ATOM 92 N LYS A 7 89.083 3.164 26.871 1.00 0.00 N ATOM 93 CA LYS A 7 88.012 3.796 26.049 1.00 0.00 C ATOM 94 C LYS A 7 86.669 3.138 26.368 1.00 0.00 C ATOM 95 O LYS A 7 85.647 3.787 26.461 1.00 0.00 O ATOM 96 CB LYS A 7 88.323 3.609 24.566 1.00 0.00 C ATOM 97 CG LYS A 7 89.659 4.271 24.230 1.00 0.00 C ATOM 98 CD LYS A 7 89.958 4.070 22.742 1.00 0.00 C ATOM 99 CE LYS A 7 91.292 4.730 22.388 1.00 0.00 C ATOM 100 NZ LYS A 7 92.393 3.989 23.056 1.00 0.00 N ATOM 0 H LYS A 7 89.746 2.583 26.357 1.00 0.00 H new ATOM 0 HA LYS A 7 87.964 4.860 26.279 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.362 2.547 24.324 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.528 4.045 23.961 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.621 5.335 24.466 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.456 3.839 24.835 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.995 3.006 22.510 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.158 4.500 22.140 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.438 4.727 21.308 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.292 5.772 22.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 93.299 4.235 22.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.424 4.247 24.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.228 2.966 22.965 1.00 0.00 H new ATOM 114 N ALA A 8 86.675 1.845 26.515 1.00 0.00 N ATOM 115 CA ALA A 8 85.415 1.101 26.811 1.00 0.00 C ATOM 116 C ALA A 8 84.945 1.370 28.246 1.00 0.00 C ATOM 117 O ALA A 8 83.772 1.252 28.551 1.00 0.00 O ATOM 118 CB ALA A 8 85.661 -0.397 26.606 1.00 0.00 C ATOM 0 H ALA A 8 87.509 1.262 26.442 1.00 0.00 H new ATOM 0 HA ALA A 8 84.632 1.442 26.134 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.746 -0.949 26.820 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.961 -0.579 25.574 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.452 -0.731 27.278 1.00 0.00 H new ATOM 124 N GLN A 9 85.843 1.707 29.129 1.00 0.00 N ATOM 125 CA GLN A 9 85.442 1.956 30.550 1.00 0.00 C ATOM 126 C GLN A 9 84.469 3.141 30.606 1.00 0.00 C ATOM 127 O GLN A 9 84.624 4.122 29.900 1.00 0.00 O ATOM 128 CB GLN A 9 86.700 2.260 31.378 1.00 0.00 C ATOM 129 CG GLN A 9 86.341 2.338 32.866 1.00 0.00 C ATOM 130 CD GLN A 9 87.614 2.527 33.696 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.709 2.453 33.179 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.513 2.762 34.977 1.00 0.00 N ATOM 0 H GLN A 9 86.837 1.822 28.933 1.00 0.00 H new ATOM 0 HA GLN A 9 84.946 1.076 30.959 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.448 1.484 31.216 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.141 3.202 31.052 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.655 3.167 33.041 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.827 1.428 33.174 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.593 2.825 35.413 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.354 2.883 35.541 1.00 0.00 H new ATOM 141 N GLU A 10 83.459 3.057 31.436 1.00 0.00 N ATOM 142 CA GLU A 10 82.469 4.170 31.530 1.00 0.00 C ATOM 143 C GLU A 10 81.637 4.006 32.808 1.00 0.00 C ATOM 144 O GLU A 10 81.890 3.130 33.610 1.00 0.00 O ATOM 145 CB GLU A 10 81.544 4.128 30.309 1.00 0.00 C ATOM 146 CG GLU A 10 80.790 2.796 30.295 1.00 0.00 C ATOM 147 CD GLU A 10 80.122 2.595 28.933 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.498 3.529 28.458 1.00 0.00 O ATOM 149 OE2 GLU A 10 80.244 1.510 28.391 1.00 0.00 O ATOM 0 H GLU A 10 83.279 2.265 32.052 1.00 0.00 H new ATOM 0 HA GLU A 10 82.993 5.125 31.559 1.00 0.00 H new ATOM 0 HB2 GLU A 10 80.839 4.958 30.343 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.125 4.241 29.394 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.478 1.975 30.498 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.039 2.784 31.085 1.00 0.00 H new ATOM 156 N GLU A 11 80.658 4.848 33.012 1.00 0.00 N ATOM 157 CA GLU A 11 79.827 4.738 34.248 1.00 0.00 C ATOM 158 C GLU A 11 78.959 3.477 34.180 1.00 0.00 C ATOM 159 O GLU A 11 78.647 2.979 33.117 1.00 0.00 O ATOM 160 CB GLU A 11 78.918 5.965 34.385 1.00 0.00 C ATOM 161 CG GLU A 11 79.750 7.205 34.719 1.00 0.00 C ATOM 162 CD GLU A 11 78.810 8.404 34.872 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.228 8.540 35.937 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.680 9.155 33.922 1.00 0.00 O ATOM 0 H GLU A 11 80.398 5.605 32.379 1.00 0.00 H new ATOM 0 HA GLU A 11 80.491 4.682 35.110 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.369 6.126 33.457 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.178 5.793 35.167 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.311 7.046 35.640 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.478 7.395 33.930 1.00 0.00 H new ATOM 171 N HIS A 12 78.573 2.959 35.318 1.00 0.00 N ATOM 172 CA HIS A 12 77.726 1.729 35.347 1.00 0.00 C ATOM 173 C HIS A 12 76.324 2.072 34.853 1.00 0.00 C ATOM 174 O HIS A 12 75.384 2.141 35.619 1.00 0.00 O ATOM 175 CB HIS A 12 77.656 1.218 36.787 1.00 0.00 C ATOM 176 CG HIS A 12 76.810 -0.027 36.870 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.320 -1.301 36.637 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.491 -0.210 37.214 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.319 -2.186 36.852 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.190 -1.569 37.201 1.00 0.00 N ATOM 0 H HIS A 12 78.810 3.338 36.235 1.00 0.00 H new ATOM 0 HA HIS A 12 78.154 0.960 34.703 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.661 1.006 37.152 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.239 1.991 37.433 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.795 0.580 37.457 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.422 -3.257 36.753 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.292 -2.003 37.414 1.00 0.00 H new ATOM 188 N GLU A 13 76.182 2.296 33.575 1.00 0.00 N ATOM 189 CA GLU A 13 74.847 2.650 33.007 1.00 0.00 C ATOM 190 C GLU A 13 74.228 1.419 32.319 1.00 0.00 C ATOM 191 O GLU A 13 74.453 0.289 32.714 1.00 0.00 O ATOM 192 CB GLU A 13 75.028 3.805 32.005 1.00 0.00 C ATOM 193 CG GLU A 13 73.770 4.687 31.985 1.00 0.00 C ATOM 194 CD GLU A 13 73.701 5.520 33.270 1.00 0.00 C ATOM 195 OE1 GLU A 13 74.438 6.484 33.366 1.00 0.00 O ATOM 196 OE2 GLU A 13 72.904 5.180 34.131 1.00 0.00 O ATOM 0 H GLU A 13 76.939 2.249 32.893 1.00 0.00 H new ATOM 0 HA GLU A 13 74.172 2.967 33.802 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.897 4.403 32.280 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.218 3.406 31.009 1.00 0.00 H new ATOM 0 HG2 GLU A 13 73.789 5.344 31.115 1.00 0.00 H new ATOM 0 HG3 GLU A 13 72.880 4.065 31.896 1.00 0.00 H new ATOM 203 N LYS A 14 73.435 1.642 31.303 1.00 0.00 N ATOM 204 CA LYS A 14 72.774 0.512 30.582 1.00 0.00 C ATOM 205 C LYS A 14 73.816 -0.278 29.788 1.00 0.00 C ATOM 206 O LYS A 14 73.691 -1.473 29.596 1.00 0.00 O ATOM 207 CB LYS A 14 71.728 1.091 29.624 1.00 0.00 C ATOM 208 CG LYS A 14 70.567 1.667 30.435 1.00 0.00 C ATOM 209 CD LYS A 14 69.516 2.249 29.486 1.00 0.00 C ATOM 210 CE LYS A 14 68.360 2.832 30.301 1.00 0.00 C ATOM 211 NZ LYS A 14 67.538 1.721 30.860 1.00 0.00 N ATOM 0 H LYS A 14 73.215 2.569 30.938 1.00 0.00 H new ATOM 0 HA LYS A 14 72.297 -0.157 31.299 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.176 1.868 29.005 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.366 0.315 28.949 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.121 0.888 31.054 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.931 2.442 31.110 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.963 3.024 28.863 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.147 1.473 28.815 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.747 3.454 31.108 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.744 3.474 29.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.641 2.102 31.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.342 1.024 30.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.057 1.261 31.635 1.00 0.00 H new ATOM 225 N TYR A 15 74.827 0.386 29.303 1.00 0.00 N ATOM 226 CA TYR A 15 75.873 -0.312 28.499 1.00 0.00 C ATOM 227 C TYR A 15 76.538 -1.395 29.348 1.00 0.00 C ATOM 228 O TYR A 15 76.827 -2.476 28.869 1.00 0.00 O ATOM 229 CB TYR A 15 76.928 0.708 28.049 1.00 0.00 C ATOM 230 CG TYR A 15 76.408 1.491 26.865 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.567 0.989 25.567 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.763 2.718 27.065 1.00 0.00 C ATOM 233 CE1 TYR A 15 76.080 1.712 24.472 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.275 3.440 25.970 1.00 0.00 C ATOM 235 CZ TYR A 15 75.434 2.939 24.673 1.00 0.00 C ATOM 236 OH TYR A 15 74.953 3.653 23.594 1.00 0.00 O ATOM 0 H TYR A 15 74.976 1.387 29.429 1.00 0.00 H new ATOM 0 HA TYR A 15 75.413 -0.774 27.625 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.166 1.386 28.869 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.852 0.196 27.781 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.066 0.044 25.411 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.642 3.107 28.065 1.00 0.00 H new ATOM 0 HE1 TYR A 15 76.202 1.324 23.472 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.775 4.385 26.126 1.00 0.00 H new ATOM 0 HH TYR A 15 74.532 4.480 23.910 1.00 0.00 H new ATOM 246 N HIS A 16 76.787 -1.121 30.598 1.00 0.00 N ATOM 247 CA HIS A 16 77.444 -2.148 31.460 1.00 0.00 C ATOM 248 C HIS A 16 76.569 -3.399 31.521 1.00 0.00 C ATOM 249 O HIS A 16 77.061 -4.510 31.493 1.00 0.00 O ATOM 250 CB HIS A 16 77.652 -1.592 32.882 1.00 0.00 C ATOM 251 CG HIS A 16 78.901 -0.752 32.935 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.709 -0.709 34.064 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.511 0.051 32.006 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.753 0.092 33.784 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.678 0.579 32.542 1.00 0.00 N ATOM 0 H HIS A 16 76.567 -0.238 31.059 1.00 0.00 H new ATOM 0 HA HIS A 16 78.415 -2.402 31.034 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.790 -0.993 33.176 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.727 -2.414 33.594 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.141 0.243 31.010 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.552 0.314 34.476 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.339 1.207 32.084 1.00 0.00 H new ATOM 263 N SER A 17 75.279 -3.235 31.608 1.00 0.00 N ATOM 264 CA SER A 17 74.388 -4.428 31.668 1.00 0.00 C ATOM 265 C SER A 17 74.566 -5.266 30.403 1.00 0.00 C ATOM 266 O SER A 17 74.686 -6.473 30.456 1.00 0.00 O ATOM 267 CB SER A 17 72.942 -3.962 31.772 1.00 0.00 C ATOM 268 OG SER A 17 72.557 -3.353 30.545 1.00 0.00 O ATOM 0 H SER A 17 74.805 -2.333 31.640 1.00 0.00 H new ATOM 0 HA SER A 17 74.643 -5.034 32.537 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.290 -4.807 31.993 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.834 -3.253 32.593 1.00 0.00 H new ATOM 0 HG SER A 17 73.127 -2.574 30.373 1.00 0.00 H new ATOM 274 N ASN A 18 74.597 -4.630 29.261 1.00 0.00 N ATOM 275 CA ASN A 18 74.780 -5.381 27.982 1.00 0.00 C ATOM 276 C ASN A 18 76.249 -5.311 27.578 1.00 0.00 C ATOM 277 O ASN A 18 76.704 -4.327 27.035 1.00 0.00 O ATOM 278 CB ASN A 18 73.931 -4.748 26.877 1.00 0.00 C ATOM 279 CG ASN A 18 72.447 -5.006 27.140 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.090 -5.977 27.779 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.560 -4.174 26.666 1.00 0.00 N ATOM 0 H ASN A 18 74.503 -3.620 29.158 1.00 0.00 H new ATOM 0 HA ASN A 18 74.472 -6.417 28.123 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.119 -3.675 26.833 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.214 -5.161 25.909 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.567 -4.338 26.832 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.860 -3.360 26.130 1.00 0.00 H new ATOM 288 N TRP A 19 76.992 -6.346 27.837 1.00 0.00 N ATOM 289 CA TRP A 19 78.430 -6.336 27.457 1.00 0.00 C ATOM 290 C TRP A 19 78.561 -6.588 25.955 1.00 0.00 C ATOM 291 O TRP A 19 79.528 -6.199 25.330 1.00 0.00 O ATOM 292 CB TRP A 19 79.185 -7.411 28.239 1.00 0.00 C ATOM 293 CG TRP A 19 78.671 -8.768 27.883 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.786 -9.477 28.617 1.00 0.00 C ATOM 295 CD2 TRP A 19 78.996 -9.594 26.726 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.559 -10.689 27.996 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.276 -10.805 26.826 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.838 -9.415 25.610 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.387 -11.803 25.863 1.00 0.00 C ATOM 300 CZ3 TRP A 19 79.948 -10.419 24.635 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.224 -11.611 24.763 1.00 0.00 C ATOM 0 H TRP A 19 76.668 -7.198 28.295 1.00 0.00 H new ATOM 0 HA TRP A 19 78.860 -5.364 27.697 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.251 -7.349 28.019 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.070 -7.240 29.309 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.330 -9.149 29.540 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.936 -11.410 28.359 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.402 -8.500 25.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.828 -12.721 25.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.594 -10.271 23.782 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.313 -12.381 24.011 1.00 0.00 H new ATOM 312 N ARG A 20 77.587 -7.237 25.370 1.00 0.00 N ATOM 313 CA ARG A 20 77.651 -7.519 23.909 1.00 0.00 C ATOM 314 C ARG A 20 77.718 -6.215 23.127 1.00 0.00 C ATOM 315 O ARG A 20 78.438 -6.105 22.150 1.00 0.00 O ATOM 316 CB ARG A 20 76.387 -8.264 23.487 1.00 0.00 C ATOM 317 CG ARG A 20 76.405 -9.678 24.048 1.00 0.00 C ATOM 318 CD ARG A 20 75.143 -10.403 23.580 1.00 0.00 C ATOM 319 NE ARG A 20 75.051 -11.749 24.234 1.00 0.00 N ATOM 320 CZ ARG A 20 75.994 -12.640 24.095 1.00 0.00 C ATOM 321 NH1 ARG A 20 76.973 -12.436 23.260 1.00 0.00 N ATOM 322 NH2 ARG A 20 75.929 -13.760 24.756 1.00 0.00 N ATOM 0 H ARG A 20 76.752 -7.583 25.843 1.00 0.00 H new ATOM 0 HA ARG A 20 78.538 -8.118 23.704 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.505 -7.733 23.845 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.320 -8.296 22.400 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.294 -10.209 23.708 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.445 -9.653 25.137 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.262 -9.810 23.824 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.160 -10.517 22.496 1.00 0.00 H new ATOM 0 HE ARG A 20 74.233 -11.973 24.800 1.00 0.00 H new ATOM 0 HH11 ARG A 20 77.005 -11.577 22.711 1.00 0.00 H new ATOM 0 HH12 ARG A 20 77.708 -13.136 23.155 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.142 -13.939 25.380 1.00 0.00 H new ATOM 0 HH22 ARG A 20 76.665 -14.459 24.649 1.00 0.00 H new ATOM 336 N ALA A 21 76.980 -5.227 23.535 1.00 0.00 N ATOM 337 CA ALA A 21 77.019 -3.940 22.790 1.00 0.00 C ATOM 338 C ALA A 21 78.432 -3.369 22.873 1.00 0.00 C ATOM 339 O ALA A 21 78.951 -2.828 21.919 1.00 0.00 O ATOM 340 CB ALA A 21 76.023 -2.947 23.387 1.00 0.00 C ATOM 0 H ALA A 21 76.357 -5.251 24.343 1.00 0.00 H new ATOM 0 HA ALA A 21 76.746 -4.115 21.749 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.064 -2.011 22.830 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.016 -3.361 23.327 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.277 -2.760 24.430 1.00 0.00 H new ATOM 346 N MET A 22 79.052 -3.468 24.017 1.00 0.00 N ATOM 347 CA MET A 22 80.428 -2.922 24.156 1.00 0.00 C ATOM 348 C MET A 22 81.378 -3.659 23.212 1.00 0.00 C ATOM 349 O MET A 22 82.198 -3.060 22.547 1.00 0.00 O ATOM 350 CB MET A 22 80.901 -3.111 25.601 1.00 0.00 C ATOM 351 CG MET A 22 82.219 -2.360 25.825 1.00 0.00 C ATOM 352 SD MET A 22 83.051 -3.025 27.289 1.00 0.00 S ATOM 353 CE MET A 22 81.731 -2.691 28.479 1.00 0.00 C ATOM 0 H MET A 22 78.666 -3.901 24.856 1.00 0.00 H new ATOM 0 HA MET A 22 80.423 -1.862 23.903 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.142 -2.744 26.292 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.037 -4.172 25.812 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.861 -2.462 24.950 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.026 -1.295 25.956 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.146 -2.671 29.487 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.275 -1.727 28.255 1.00 0.00 H new ATOM 0 HE3 MET A 22 80.976 -3.474 28.414 1.00 0.00 H new ATOM 363 N ALA A 23 81.277 -4.958 23.151 1.00 0.00 N ATOM 364 CA ALA A 23 82.180 -5.736 22.254 1.00 0.00 C ATOM 365 C ALA A 23 81.925 -5.329 20.800 1.00 0.00 C ATOM 366 O ALA A 23 82.840 -5.116 20.031 1.00 0.00 O ATOM 367 CB ALA A 23 81.895 -7.232 22.425 1.00 0.00 C ATOM 0 H ALA A 23 80.609 -5.515 23.683 1.00 0.00 H new ATOM 0 HA ALA A 23 83.219 -5.531 22.511 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.553 -7.805 21.771 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.073 -7.520 23.461 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.857 -7.437 22.164 1.00 0.00 H new ATOM 373 N SER A 24 80.683 -5.229 20.426 1.00 0.00 N ATOM 374 CA SER A 24 80.341 -4.848 19.025 1.00 0.00 C ATOM 375 C SER A 24 80.759 -3.402 18.763 1.00 0.00 C ATOM 376 O SER A 24 81.248 -3.070 17.703 1.00 0.00 O ATOM 377 CB SER A 24 78.831 -4.984 18.817 1.00 0.00 C ATOM 378 OG SER A 24 78.471 -4.410 17.569 1.00 0.00 O ATOM 0 H SER A 24 79.881 -5.396 21.034 1.00 0.00 H new ATOM 0 HA SER A 24 80.869 -5.506 18.335 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.543 -6.035 18.843 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.296 -4.487 19.626 1.00 0.00 H new ATOM 0 HG SER A 24 77.504 -4.498 17.435 1.00 0.00 H new ATOM 384 N ASP A 25 80.559 -2.538 19.712 1.00 0.00 N ATOM 385 CA ASP A 25 80.937 -1.115 19.510 1.00 0.00 C ATOM 386 C ASP A 25 82.446 -1.007 19.266 1.00 0.00 C ATOM 387 O ASP A 25 82.894 -0.246 18.428 1.00 0.00 O ATOM 388 CB ASP A 25 80.569 -0.319 20.765 1.00 0.00 C ATOM 389 CG ASP A 25 80.900 1.162 20.559 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.700 1.462 19.688 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.343 1.974 21.281 1.00 0.00 O ATOM 0 H ASP A 25 80.150 -2.755 20.621 1.00 0.00 H new ATOM 0 HA ASP A 25 80.405 -0.717 18.646 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.507 -0.436 20.982 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.115 -0.706 21.625 1.00 0.00 H new ATOM 396 N PHE A 26 83.231 -1.766 19.991 1.00 0.00 N ATOM 397 CA PHE A 26 84.718 -1.711 19.814 1.00 0.00 C ATOM 398 C PHE A 26 85.192 -2.893 18.960 1.00 0.00 C ATOM 399 O PHE A 26 86.371 -3.056 18.719 1.00 0.00 O ATOM 400 CB PHE A 26 85.401 -1.779 21.181 1.00 0.00 C ATOM 401 CG PHE A 26 85.208 -0.475 21.920 1.00 0.00 C ATOM 402 CD1 PHE A 26 86.114 0.571 21.722 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.136 -0.314 22.810 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.951 1.778 22.409 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.972 0.894 23.499 1.00 0.00 C ATOM 406 CZ PHE A 26 84.882 1.939 23.297 1.00 0.00 C ATOM 0 H PHE A 26 82.906 -2.423 20.700 1.00 0.00 H new ATOM 0 HA PHE A 26 84.977 -0.777 19.315 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.986 -2.602 21.764 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.465 -1.982 21.056 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.940 0.447 21.038 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.437 -1.122 22.964 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.651 2.586 22.254 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.146 1.019 24.184 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.758 2.871 23.828 1.00 0.00 H new ATOM 416 N ASN A 27 84.285 -3.707 18.502 1.00 0.00 N ATOM 417 CA ASN A 27 84.671 -4.875 17.654 1.00 0.00 C ATOM 418 C ASN A 27 85.710 -5.736 18.381 1.00 0.00 C ATOM 419 O ASN A 27 86.676 -6.178 17.793 1.00 0.00 O ATOM 420 CB ASN A 27 85.248 -4.378 16.326 1.00 0.00 C ATOM 421 CG ASN A 27 84.125 -3.756 15.492 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.969 -4.070 15.689 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.415 -2.874 14.574 1.00 0.00 N ATOM 0 H ASN A 27 83.284 -3.616 18.678 1.00 0.00 H new ATOM 0 HA ASN A 27 83.786 -5.481 17.460 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.032 -3.643 16.508 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.706 -5.204 15.783 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.670 -2.449 14.022 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.386 -2.610 14.409 1.00 0.00 H new ATOM 430 N LEU A 28 85.510 -5.984 19.655 1.00 0.00 N ATOM 431 CA LEU A 28 86.472 -6.827 20.440 1.00 0.00 C ATOM 432 C LEU A 28 85.740 -8.085 20.921 1.00 0.00 C ATOM 433 O LEU A 28 84.549 -8.053 21.151 1.00 0.00 O ATOM 434 CB LEU A 28 86.957 -6.045 21.670 1.00 0.00 C ATOM 435 CG LEU A 28 87.827 -4.854 21.237 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.914 -3.836 22.376 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.247 -5.325 20.890 1.00 0.00 C ATOM 0 H LEU A 28 84.714 -5.635 20.190 1.00 0.00 H new ATOM 0 HA LEU A 28 87.323 -7.092 19.813 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.101 -5.689 22.244 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.529 -6.702 22.325 1.00 0.00 H new ATOM 0 HG LEU A 28 87.371 -4.397 20.359 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.532 -2.994 22.065 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.914 -3.481 22.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.359 -4.308 23.252 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.850 -4.469 20.585 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.698 -5.794 21.764 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.202 -6.046 20.074 1.00 0.00 H new ATOM 449 N PRO A 29 86.434 -9.184 21.093 1.00 0.00 N ATOM 450 CA PRO A 29 85.804 -10.446 21.577 1.00 0.00 C ATOM 451 C PRO A 29 85.308 -10.288 23.019 1.00 0.00 C ATOM 452 O PRO A 29 85.709 -9.381 23.721 1.00 0.00 O ATOM 453 CB PRO A 29 86.936 -11.488 21.489 1.00 0.00 C ATOM 454 CG PRO A 29 88.198 -10.689 21.531 1.00 0.00 C ATOM 455 CD PRO A 29 87.880 -9.359 20.849 1.00 0.00 C ATOM 0 HA PRO A 29 84.930 -10.732 20.991 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.888 -12.195 22.318 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.867 -12.070 20.570 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.526 -10.532 22.559 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.006 -11.208 21.015 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.461 -8.541 21.275 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.106 -9.390 19.783 1.00 0.00 H new ATOM 463 N PRO A 30 84.438 -11.154 23.450 1.00 0.00 N ATOM 464 CA PRO A 30 83.866 -11.106 24.833 1.00 0.00 C ATOM 465 C PRO A 30 84.955 -11.106 25.926 1.00 0.00 C ATOM 466 O PRO A 30 84.720 -10.712 27.048 1.00 0.00 O ATOM 467 CB PRO A 30 82.984 -12.376 24.913 1.00 0.00 C ATOM 468 CG PRO A 30 83.421 -13.241 23.768 1.00 0.00 C ATOM 469 CD PRO A 30 83.898 -12.284 22.680 1.00 0.00 C ATOM 0 HA PRO A 30 83.307 -10.187 25.009 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.119 -12.888 25.866 1.00 0.00 H new ATOM 0 HB3 PRO A 30 81.926 -12.125 24.834 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.220 -13.917 24.072 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.599 -13.861 23.410 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.658 -12.740 22.045 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.081 -11.975 22.028 1.00 0.00 H new ATOM 477 N VAL A 31 86.141 -11.551 25.611 1.00 0.00 N ATOM 478 CA VAL A 31 87.228 -11.596 26.644 1.00 0.00 C ATOM 479 C VAL A 31 87.500 -10.199 27.206 1.00 0.00 C ATOM 480 O VAL A 31 87.574 -10.011 28.403 1.00 0.00 O ATOM 481 CB VAL A 31 88.502 -12.137 25.985 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.702 -11.997 26.928 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.295 -13.608 25.629 1.00 0.00 C ATOM 0 H VAL A 31 86.409 -11.886 24.686 1.00 0.00 H new ATOM 0 HA VAL A 31 86.917 -12.241 27.466 1.00 0.00 H new ATOM 0 HB VAL A 31 88.706 -11.561 25.083 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.595 -12.387 26.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.852 -10.945 27.173 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.513 -12.559 27.843 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.198 -13.999 25.160 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.082 -14.175 26.535 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.457 -13.701 24.938 1.00 0.00 H new ATOM 493 N VAL A 32 87.661 -9.223 26.368 1.00 0.00 N ATOM 494 CA VAL A 32 87.939 -7.857 26.883 1.00 0.00 C ATOM 495 C VAL A 32 86.692 -7.323 27.593 1.00 0.00 C ATOM 496 O VAL A 32 86.770 -6.757 28.667 1.00 0.00 O ATOM 497 CB VAL A 32 88.311 -6.943 25.713 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.360 -5.488 26.178 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.685 -7.338 25.177 1.00 0.00 C ATOM 0 H VAL A 32 87.613 -9.308 25.353 1.00 0.00 H new ATOM 0 HA VAL A 32 88.768 -7.886 27.590 1.00 0.00 H new ATOM 0 HB VAL A 32 87.560 -7.048 24.930 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.626 -4.846 25.338 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.383 -5.196 26.563 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.107 -5.383 26.965 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.951 -6.688 24.344 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.427 -7.236 25.968 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.659 -8.373 24.836 1.00 0.00 H new ATOM 509 N ALA A 33 85.541 -7.499 27.002 1.00 0.00 N ATOM 510 CA ALA A 33 84.292 -6.997 27.646 1.00 0.00 C ATOM 511 C ALA A 33 84.041 -7.758 28.949 1.00 0.00 C ATOM 512 O ALA A 33 83.658 -7.179 29.946 1.00 0.00 O ATOM 513 CB ALA A 33 83.101 -7.190 26.701 1.00 0.00 C ATOM 0 H ALA A 33 85.411 -7.967 26.105 1.00 0.00 H new ATOM 0 HA ALA A 33 84.407 -5.935 27.863 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.194 -6.821 27.179 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.276 -6.637 25.778 1.00 0.00 H new ATOM 0 HB3 ALA A 33 82.986 -8.250 26.473 1.00 0.00 H new ATOM 519 N LYS A 34 84.256 -9.048 28.956 1.00 0.00 N ATOM 520 CA LYS A 34 84.028 -9.826 30.206 1.00 0.00 C ATOM 521 C LYS A 34 84.988 -9.343 31.299 1.00 0.00 C ATOM 522 O LYS A 34 84.620 -9.241 32.453 1.00 0.00 O ATOM 523 CB LYS A 34 84.229 -11.324 29.940 1.00 0.00 C ATOM 524 CG LYS A 34 83.087 -11.876 29.063 1.00 0.00 C ATOM 525 CD LYS A 34 81.838 -12.153 29.911 1.00 0.00 C ATOM 526 CE LYS A 34 80.829 -12.949 29.084 1.00 0.00 C ATOM 527 NZ LYS A 34 79.645 -13.257 29.931 1.00 0.00 N ATOM 0 H LYS A 34 84.577 -9.592 28.155 1.00 0.00 H new ATOM 0 HA LYS A 34 83.003 -9.670 30.543 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.186 -11.486 29.445 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.264 -11.866 30.885 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.847 -11.161 28.276 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.410 -12.794 28.572 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.110 -12.710 30.808 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.394 -11.214 30.242 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.526 -12.377 28.207 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.283 -13.871 28.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.953 -13.799 29.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.944 -13.818 30.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.210 -12.370 30.256 1.00 0.00 H new ATOM 541 N GLU A 35 86.219 -9.047 30.957 1.00 0.00 N ATOM 542 CA GLU A 35 87.179 -8.581 32.005 1.00 0.00 C ATOM 543 C GLU A 35 86.651 -7.296 32.639 1.00 0.00 C ATOM 544 O GLU A 35 86.733 -7.104 33.835 1.00 0.00 O ATOM 545 CB GLU A 35 88.555 -8.317 31.379 1.00 0.00 C ATOM 546 CG GLU A 35 89.580 -8.001 32.479 1.00 0.00 C ATOM 547 CD GLU A 35 89.422 -6.550 32.944 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.087 -5.713 32.119 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.643 -6.299 34.117 1.00 0.00 O ATOM 0 H GLU A 35 86.596 -9.107 30.011 1.00 0.00 H new ATOM 0 HA GLU A 35 87.279 -9.353 32.768 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.878 -9.188 30.809 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.492 -7.484 30.679 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.441 -8.678 33.322 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.590 -8.163 32.103 1.00 0.00 H new ATOM 556 N ILE A 36 86.097 -6.414 31.856 1.00 0.00 N ATOM 557 CA ILE A 36 85.553 -5.151 32.431 1.00 0.00 C ATOM 558 C ILE A 36 84.425 -5.501 33.411 1.00 0.00 C ATOM 559 O ILE A 36 84.309 -4.922 34.472 1.00 0.00 O ATOM 560 CB ILE A 36 85.012 -4.269 31.304 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.187 -3.741 30.476 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.231 -3.089 31.897 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.655 -3.087 29.203 1.00 0.00 C ATOM 0 H ILE A 36 85.997 -6.511 30.846 1.00 0.00 H new ATOM 0 HA ILE A 36 86.339 -4.609 32.957 1.00 0.00 H new ATOM 0 HB ILE A 36 84.346 -4.854 30.670 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.761 -3.019 31.057 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.864 -4.557 30.224 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.848 -2.464 31.090 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.398 -3.466 32.491 1.00 0.00 H new ATOM 0 HG23 ILE A 36 84.891 -2.498 32.532 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.489 -2.710 28.612 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.100 -3.823 28.621 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.995 -2.261 29.467 1.00 0.00 H new ATOM 575 N VAL A 37 83.606 -6.462 33.071 1.00 0.00 N ATOM 576 CA VAL A 37 82.496 -6.863 33.985 1.00 0.00 C ATOM 577 C VAL A 37 83.102 -7.348 35.302 1.00 0.00 C ATOM 578 O VAL A 37 82.598 -7.069 36.369 1.00 0.00 O ATOM 579 CB VAL A 37 81.688 -7.997 33.331 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.709 -8.612 34.348 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.904 -7.433 32.142 1.00 0.00 C ATOM 0 H VAL A 37 83.658 -6.987 32.198 1.00 0.00 H new ATOM 0 HA VAL A 37 81.835 -6.018 34.174 1.00 0.00 H new ATOM 0 HB VAL A 37 82.373 -8.774 32.991 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.144 -9.413 33.871 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.268 -9.015 35.193 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.021 -7.844 34.701 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.329 -8.232 31.674 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.226 -6.654 32.490 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.598 -7.012 31.415 1.00 0.00 H new ATOM 591 N ALA A 38 84.177 -8.072 35.226 1.00 0.00 N ATOM 592 CA ALA A 38 84.834 -8.578 36.462 1.00 0.00 C ATOM 593 C ALA A 38 85.400 -7.402 37.261 1.00 0.00 C ATOM 594 O ALA A 38 85.410 -7.411 38.476 1.00 0.00 O ATOM 595 CB ALA A 38 85.978 -9.515 36.074 1.00 0.00 C ATOM 0 H ALA A 38 84.635 -8.339 34.354 1.00 0.00 H new ATOM 0 HA ALA A 38 84.103 -9.113 37.069 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.463 -9.889 36.975 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.583 -10.353 35.500 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.704 -8.972 35.470 1.00 0.00 H new ATOM 601 N SER A 39 85.885 -6.401 36.585 1.00 0.00 N ATOM 602 CA SER A 39 86.473 -5.233 37.294 1.00 0.00 C ATOM 603 C SER A 39 85.372 -4.397 37.942 1.00 0.00 C ATOM 604 O SER A 39 85.533 -3.897 39.041 1.00 0.00 O ATOM 605 CB SER A 39 87.246 -4.375 36.297 1.00 0.00 C ATOM 606 OG SER A 39 88.349 -5.119 35.801 1.00 0.00 O ATOM 0 H SER A 39 85.900 -6.341 35.567 1.00 0.00 H new ATOM 0 HA SER A 39 87.146 -5.591 38.073 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.595 -4.074 35.476 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.595 -3.461 36.778 1.00 0.00 H new ATOM 0 HG SER A 39 88.220 -5.298 34.846 1.00 0.00 H new ATOM 612 N CYS A 40 84.259 -4.236 37.287 1.00 0.00 N ATOM 613 CA CYS A 40 83.162 -3.438 37.901 1.00 0.00 C ATOM 614 C CYS A 40 82.480 -4.302 38.961 1.00 0.00 C ATOM 615 O CYS A 40 81.877 -5.313 38.657 1.00 0.00 O ATOM 616 CB CYS A 40 82.143 -3.028 36.834 1.00 0.00 C ATOM 617 SG CYS A 40 81.082 -1.719 37.490 1.00 0.00 S ATOM 0 H CYS A 40 84.061 -4.618 36.362 1.00 0.00 H new ATOM 0 HA CYS A 40 83.569 -2.533 38.352 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.658 -2.680 35.938 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.540 -3.888 36.541 1.00 0.00 H new ATOM 622 N ASP A 41 82.585 -3.923 40.205 1.00 0.00 N ATOM 623 CA ASP A 41 81.960 -4.729 41.290 1.00 0.00 C ATOM 624 C ASP A 41 80.443 -4.819 41.089 1.00 0.00 C ATOM 625 O ASP A 41 79.840 -5.846 41.314 1.00 0.00 O ATOM 626 CB ASP A 41 82.259 -4.066 42.641 1.00 0.00 C ATOM 627 CG ASP A 41 83.735 -4.261 42.995 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.072 -5.326 43.489 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.505 -3.340 42.768 1.00 0.00 O ATOM 0 H ASP A 41 83.079 -3.087 40.517 1.00 0.00 H new ATOM 0 HA ASP A 41 82.373 -5.737 41.267 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.023 -3.003 42.595 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.628 -4.499 43.417 1.00 0.00 H new ATOM 634 N LYS A 42 79.819 -3.754 40.679 1.00 0.00 N ATOM 635 CA LYS A 42 78.339 -3.785 40.485 1.00 0.00 C ATOM 636 C LYS A 42 77.966 -4.837 39.435 1.00 0.00 C ATOM 637 O LYS A 42 77.002 -5.564 39.593 1.00 0.00 O ATOM 638 CB LYS A 42 77.877 -2.403 40.009 1.00 0.00 C ATOM 639 CG LYS A 42 78.016 -1.402 41.156 1.00 0.00 C ATOM 640 CD LYS A 42 77.568 -0.016 40.687 1.00 0.00 C ATOM 641 CE LYS A 42 77.698 0.982 41.843 1.00 0.00 C ATOM 642 NZ LYS A 42 77.389 2.358 41.354 1.00 0.00 N ATOM 0 H LYS A 42 80.266 -2.862 40.469 1.00 0.00 H new ATOM 0 HA LYS A 42 77.853 -4.041 41.427 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.474 -2.081 39.156 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.841 -2.449 39.674 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.413 -1.722 42.006 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.051 -1.365 41.496 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.176 0.308 39.843 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.535 -0.054 40.340 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.017 0.710 42.650 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.707 0.949 42.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.478 3.034 42.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.056 2.616 40.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.418 2.385 40.983 1.00 0.00 H new ATOM 656 N CYS A 43 78.720 -4.931 38.371 1.00 0.00 N ATOM 657 CA CYS A 43 78.401 -5.947 37.323 1.00 0.00 C ATOM 658 C CYS A 43 78.925 -7.329 37.743 1.00 0.00 C ATOM 659 O CYS A 43 78.397 -8.348 37.346 1.00 0.00 O ATOM 660 CB CYS A 43 79.058 -5.563 35.993 1.00 0.00 C ATOM 661 SG CYS A 43 78.731 -3.829 35.610 1.00 0.00 S ATOM 0 H CYS A 43 79.538 -4.352 38.182 1.00 0.00 H new ATOM 0 HA CYS A 43 77.318 -5.981 37.205 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.133 -5.734 36.048 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.675 -6.198 35.194 1.00 0.00 H new ATOM 666 N GLN A 44 79.993 -7.368 38.503 1.00 0.00 N ATOM 667 CA GLN A 44 80.588 -8.682 38.903 1.00 0.00 C ATOM 668 C GLN A 44 79.624 -9.471 39.796 1.00 0.00 C ATOM 669 O GLN A 44 79.234 -10.573 39.466 1.00 0.00 O ATOM 670 CB GLN A 44 81.903 -8.423 39.657 1.00 0.00 C ATOM 671 CG GLN A 44 82.562 -9.756 40.039 1.00 0.00 C ATOM 672 CD GLN A 44 83.905 -9.496 40.732 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.972 -9.276 40.011 1.00 0.00 O ATOM 674 NE2 GLN A 44 83.987 -9.488 41.941 1.00 0.00 N ATOM 0 H GLN A 44 80.478 -6.547 38.864 1.00 0.00 H new ATOM 0 HA GLN A 44 80.778 -9.273 38.007 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.580 -7.839 39.034 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.708 -7.835 40.554 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.905 -10.320 40.701 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.715 -10.364 39.148 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.158 -9.659 42.510 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.885 -9.310 42.390 1.00 0.00 H new ATOM 683 N LEU A 45 79.239 -8.933 40.918 1.00 0.00 N ATOM 684 CA LEU A 45 78.299 -9.679 41.810 1.00 0.00 C ATOM 685 C LEU A 45 76.878 -9.547 41.261 1.00 0.00 C ATOM 686 O LEU A 45 76.290 -8.486 41.289 1.00 0.00 O ATOM 687 CB LEU A 45 78.351 -9.111 43.235 1.00 0.00 C ATOM 688 CG LEU A 45 79.779 -9.216 43.797 1.00 0.00 C ATOM 689 CD1 LEU A 45 79.800 -8.662 45.228 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.239 -10.684 43.808 1.00 0.00 C ATOM 0 H LEU A 45 79.530 -8.016 41.258 1.00 0.00 H new ATOM 0 HA LEU A 45 78.592 -10.728 41.840 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.030 -8.069 43.231 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.659 -9.656 43.877 1.00 0.00 H new ATOM 0 HG LEU A 45 80.455 -8.639 43.166 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.810 -8.734 45.631 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.487 -7.618 45.219 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.118 -9.240 45.852 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.251 -10.745 44.208 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.566 -11.272 44.432 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.226 -11.077 42.791 1.00 0.00 H new ATOM 702 N LYS A 46 76.319 -10.618 40.757 1.00 0.00 N ATOM 703 CA LYS A 46 74.935 -10.555 40.199 1.00 0.00 C ATOM 704 C LYS A 46 73.913 -10.938 41.272 1.00 0.00 C ATOM 705 O LYS A 46 73.970 -12.011 41.842 1.00 0.00 O ATOM 706 CB LYS A 46 74.817 -11.530 39.030 1.00 0.00 C ATOM 707 CG LYS A 46 75.763 -11.084 37.908 1.00 0.00 C ATOM 708 CD LYS A 46 75.678 -12.055 36.718 1.00 0.00 C ATOM 709 CE LYS A 46 74.505 -11.685 35.794 1.00 0.00 C ATOM 710 NZ LYS A 46 74.819 -10.430 35.050 1.00 0.00 N ATOM 0 H LYS A 46 76.763 -11.535 40.708 1.00 0.00 H new ATOM 0 HA LYS A 46 74.737 -9.538 39.861 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.069 -12.539 39.355 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.790 -11.559 38.667 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.503 -10.077 37.583 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.786 -11.044 38.281 1.00 0.00 H new ATOM 0 HD2 LYS A 46 76.611 -12.031 36.156 1.00 0.00 H new ATOM 0 HD3 LYS A 46 75.552 -13.074 37.083 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.315 -12.496 35.091 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.596 -11.552 36.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 74.236 -10.381 34.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.615 -9.608 35.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 75.825 -10.425 34.786 1.00 0.00 H new ATOM 724 N GLY A 47 72.967 -10.079 41.538 1.00 0.00 N ATOM 725 CA GLY A 47 71.930 -10.410 42.564 1.00 0.00 C ATOM 726 C GLY A 47 72.569 -10.445 43.955 1.00 0.00 C ATOM 727 O GLY A 47 73.743 -10.167 44.120 1.00 0.00 O ATOM 0 H GLY A 47 72.865 -9.167 41.094 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.131 -9.669 42.539 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.476 -11.375 42.338 1.00 0.00 H new ATOM 731 N GLU A 48 71.804 -10.791 44.961 1.00 0.00 N ATOM 732 CA GLU A 48 72.369 -10.850 46.344 1.00 0.00 C ATOM 733 C GLU A 48 73.129 -12.172 46.527 1.00 0.00 C ATOM 734 O GLU A 48 72.722 -13.205 46.038 1.00 0.00 O ATOM 735 CB GLU A 48 71.231 -10.771 47.365 1.00 0.00 C ATOM 736 CG GLU A 48 70.625 -9.365 47.363 1.00 0.00 C ATOM 737 CD GLU A 48 69.483 -9.298 48.381 1.00 0.00 C ATOM 738 OE1 GLU A 48 68.778 -10.285 48.516 1.00 0.00 O ATOM 739 OE2 GLU A 48 69.333 -8.261 49.008 1.00 0.00 O ATOM 0 H GLU A 48 70.816 -11.034 44.885 1.00 0.00 H new ATOM 0 HA GLU A 48 73.050 -10.013 46.495 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.464 -11.507 47.125 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.606 -11.013 48.359 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.389 -8.628 47.609 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.254 -9.119 46.368 1.00 0.00 H new ATOM 746 N ALA A 49 74.239 -12.141 47.220 1.00 0.00 N ATOM 747 CA ALA A 49 75.037 -13.387 47.435 1.00 0.00 C ATOM 748 C ALA A 49 74.389 -14.240 48.532 1.00 0.00 C ATOM 749 O ALA A 49 74.031 -15.381 48.317 1.00 0.00 O ATOM 750 CB ALA A 49 76.461 -13.004 47.858 1.00 0.00 C ATOM 0 H ALA A 49 74.629 -11.302 47.649 1.00 0.00 H new ATOM 0 HA ALA A 49 75.068 -13.962 46.510 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.049 -13.908 48.017 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.924 -12.403 47.075 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.423 -12.429 48.783 1.00 0.00 H new ATOM 756 N MET A 50 74.240 -13.687 49.705 1.00 0.00 N ATOM 757 CA MET A 50 73.616 -14.447 50.833 1.00 0.00 C ATOM 758 C MET A 50 74.369 -15.752 51.073 1.00 0.00 C ATOM 759 O MET A 50 74.299 -16.684 50.288 1.00 0.00 O ATOM 760 CB MET A 50 72.152 -14.755 50.508 1.00 0.00 C ATOM 761 CG MET A 50 71.484 -15.376 51.738 1.00 0.00 C ATOM 762 SD MET A 50 69.734 -15.690 51.403 1.00 0.00 S ATOM 763 CE MET A 50 69.340 -16.423 53.010 1.00 0.00 C ATOM 0 H MET A 50 74.525 -12.735 49.935 1.00 0.00 H new ATOM 0 HA MET A 50 73.667 -13.836 51.734 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.631 -13.842 50.218 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.091 -15.439 49.662 1.00 0.00 H new ATOM 0 HG2 MET A 50 71.985 -16.308 52.002 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.584 -14.707 52.593 1.00 0.00 H new ATOM 0 HE1 MET A 50 68.286 -16.701 53.035 1.00 0.00 H new ATOM 0 HE2 MET A 50 69.953 -17.311 53.165 1.00 0.00 H new ATOM 0 HE3 MET A 50 69.543 -15.699 53.800 1.00 0.00 H new ATOM 773 N HIS A 51 75.090 -15.829 52.161 1.00 0.00 N ATOM 774 CA HIS A 51 75.852 -17.072 52.464 1.00 0.00 C ATOM 775 C HIS A 51 74.940 -18.060 53.196 1.00 0.00 C ATOM 776 O HIS A 51 74.297 -17.714 54.163 1.00 0.00 O ATOM 777 CB HIS A 51 77.047 -16.733 53.353 1.00 0.00 C ATOM 778 CG HIS A 51 77.839 -17.984 53.625 1.00 0.00 C ATOM 779 ND1 HIS A 51 78.486 -18.676 52.611 1.00 0.00 N ATOM 780 CD2 HIS A 51 78.087 -18.687 54.778 1.00 0.00 C ATOM 781 CE1 HIS A 51 79.083 -19.743 53.167 1.00 0.00 C ATOM 782 NE2 HIS A 51 78.871 -19.795 54.483 1.00 0.00 N ATOM 0 H HIS A 51 75.183 -15.084 52.851 1.00 0.00 H new ATOM 0 HA HIS A 51 76.205 -17.518 51.534 1.00 0.00 H new ATOM 0 HB2 HIS A 51 77.677 -15.989 52.866 1.00 0.00 H new ATOM 0 HB3 HIS A 51 76.704 -16.295 54.291 1.00 0.00 H new ATOM 0 HD2 HIS A 51 77.728 -18.420 55.761 1.00 0.00 H new ATOM 0 HE1 HIS A 51 79.663 -20.469 52.617 1.00 0.00 H new ATOM 0 HE2 HIS A 51 79.213 -20.500 55.136 1.00 0.00 H new ATOM 790 N GLY A 52 74.879 -19.286 52.751 1.00 0.00 N ATOM 791 CA GLY A 52 74.010 -20.282 53.439 1.00 0.00 C ATOM 792 C GLY A 52 74.698 -20.714 54.736 1.00 0.00 C ATOM 793 O GLY A 52 75.739 -20.201 55.094 1.00 0.00 O ATOM 0 H GLY A 52 75.392 -19.640 51.943 1.00 0.00 H new ATOM 0 HA2 GLY A 52 73.034 -19.848 53.655 1.00 0.00 H new ATOM 0 HA3 GLY A 52 73.840 -21.145 52.795 1.00 0.00 H new ATOM 797 N GLN A 53 74.134 -21.646 55.445 1.00 0.00 N ATOM 798 CA GLN A 53 74.775 -22.088 56.712 1.00 0.00 C ATOM 799 C GLN A 53 75.049 -20.864 57.598 1.00 0.00 C ATOM 800 O GLN A 53 76.182 -20.541 57.901 1.00 0.00 O ATOM 801 CB GLN A 53 76.093 -22.807 56.390 1.00 0.00 C ATOM 802 CG GLN A 53 76.639 -23.455 57.666 1.00 0.00 C ATOM 803 CD GLN A 53 77.845 -24.334 57.334 1.00 0.00 C ATOM 804 OE1 GLN A 53 77.990 -24.795 56.220 1.00 0.00 O ATOM 805 NE2 GLN A 53 78.724 -24.584 58.267 1.00 0.00 N ATOM 0 H GLN A 53 73.263 -22.119 55.206 1.00 0.00 H new ATOM 0 HA GLN A 53 74.113 -22.772 57.242 1.00 0.00 H new ATOM 0 HB2 GLN A 53 75.930 -23.565 55.624 1.00 0.00 H new ATOM 0 HB3 GLN A 53 76.818 -22.099 55.988 1.00 0.00 H new ATOM 0 HG2 GLN A 53 76.927 -22.684 58.380 1.00 0.00 H new ATOM 0 HG3 GLN A 53 75.862 -24.054 58.140 1.00 0.00 H new ATOM 0 HE21 GLN A 53 78.600 -24.196 59.202 1.00 0.00 H new ATOM 0 HE22 GLN A 53 79.535 -25.168 58.061 1.00 0.00 H new ATOM 814 N VAL A 54 74.014 -20.174 58.012 1.00 0.00 N ATOM 815 CA VAL A 54 74.202 -18.971 58.879 1.00 0.00 C ATOM 816 C VAL A 54 74.110 -19.391 60.353 1.00 0.00 C ATOM 817 O VAL A 54 73.277 -20.192 60.728 1.00 0.00 O ATOM 818 CB VAL A 54 73.115 -17.937 58.561 1.00 0.00 C ATOM 819 CG1 VAL A 54 71.745 -18.464 59.005 1.00 0.00 C ATOM 820 CG2 VAL A 54 73.426 -16.628 59.294 1.00 0.00 C ATOM 0 H VAL A 54 73.044 -20.394 57.785 1.00 0.00 H new ATOM 0 HA VAL A 54 75.180 -18.529 58.690 1.00 0.00 H new ATOM 0 HB VAL A 54 73.095 -17.757 57.486 1.00 0.00 H new ATOM 0 HG11 VAL A 54 70.979 -17.724 58.776 1.00 0.00 H new ATOM 0 HG12 VAL A 54 71.523 -19.391 58.477 1.00 0.00 H new ATOM 0 HG13 VAL A 54 71.758 -18.652 60.079 1.00 0.00 H new ATOM 0 HG21 VAL A 54 72.654 -15.892 59.069 1.00 0.00 H new ATOM 0 HG22 VAL A 54 73.451 -16.810 60.368 1.00 0.00 H new ATOM 0 HG23 VAL A 54 74.394 -16.249 58.967 1.00 0.00 H new ATOM 830 N ASP A 55 74.971 -18.863 61.186 1.00 0.00 N ATOM 831 CA ASP A 55 74.953 -19.232 62.636 1.00 0.00 C ATOM 832 C ASP A 55 75.520 -18.070 63.456 1.00 0.00 C ATOM 833 O ASP A 55 76.650 -17.687 63.199 1.00 0.00 O ATOM 834 CB ASP A 55 75.824 -20.472 62.864 1.00 0.00 C ATOM 835 CG ASP A 55 75.760 -20.879 64.340 1.00 0.00 C ATOM 836 OD1 ASP A 55 75.204 -20.120 65.120 1.00 0.00 O ATOM 837 OD2 ASP A 55 76.270 -21.942 64.663 1.00 0.00 O ATOM 838 OXT ASP A 55 74.818 -17.587 64.328 1.00 0.00 O ATOM 0 H ASP A 55 75.690 -18.189 60.923 1.00 0.00 H new ATOM 0 HA ASP A 55 73.929 -19.444 62.943 1.00 0.00 H new ATOM 0 HB2 ASP A 55 75.479 -21.292 62.235 1.00 0.00 H new ATOM 0 HB3 ASP A 55 76.855 -20.263 62.578 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.750 -14.312 22.017 1.00 0.00 N ATOM 845 CA PHE B 1 92.526 -13.963 22.794 1.00 0.00 C ATOM 846 C PHE B 1 91.896 -15.249 23.331 1.00 0.00 C ATOM 847 O PHE B 1 92.320 -15.788 24.333 1.00 0.00 O ATOM 848 CB PHE B 1 91.515 -13.249 21.893 1.00 0.00 C ATOM 849 CG PHE B 1 92.004 -11.861 21.547 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.739 -10.787 22.407 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.708 -11.645 20.354 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.180 -9.500 22.075 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.144 -10.356 20.022 1.00 0.00 C ATOM 854 CZ PHE B 1 92.880 -9.283 20.883 1.00 0.00 C ATOM 0 H1 PHE B 1 93.915 -13.590 21.287 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.569 -14.350 22.657 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.621 -15.239 21.564 1.00 0.00 H new ATOM 0 HA PHE B 1 92.799 -13.303 23.617 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.361 -13.825 20.981 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.550 -13.186 22.397 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.195 -10.952 23.325 1.00 0.00 H new ATOM 0 HD2 PHE B 1 92.914 -12.472 19.691 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.979 -8.673 22.740 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.684 -10.189 19.102 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.216 -8.289 20.627 1.00 0.00 H new ATOM 866 N LEU B 2 90.889 -15.746 22.672 1.00 0.00 N ATOM 867 CA LEU B 2 90.241 -17.000 23.141 1.00 0.00 C ATOM 868 C LEU B 2 91.256 -18.143 23.095 1.00 0.00 C ATOM 869 O LEU B 2 91.305 -18.977 23.976 1.00 0.00 O ATOM 870 CB LEU B 2 89.064 -17.339 22.225 1.00 0.00 C ATOM 871 CG LEU B 2 88.021 -16.209 22.266 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.113 -16.303 21.039 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.168 -16.323 23.538 1.00 0.00 C ATOM 0 H LEU B 2 90.486 -15.338 21.828 1.00 0.00 H new ATOM 0 HA LEU B 2 89.884 -16.864 24.162 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.417 -17.482 21.204 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.607 -18.278 22.539 1.00 0.00 H new ATOM 0 HG LEU B 2 88.540 -15.250 22.267 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.375 -15.501 21.070 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.713 -16.208 20.134 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.603 -17.266 21.037 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.433 -15.518 23.557 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.654 -17.284 23.546 1.00 0.00 H new ATOM 0 HD23 LEU B 2 87.811 -16.248 24.415 1.00 0.00 H new ATOM 885 N ASP B 3 92.055 -18.197 22.061 1.00 0.00 N ATOM 886 CA ASP B 3 93.056 -19.296 21.956 1.00 0.00 C ATOM 887 C ASP B 3 94.067 -19.186 23.092 1.00 0.00 C ATOM 888 O ASP B 3 94.452 -20.169 23.691 1.00 0.00 O ATOM 889 CB ASP B 3 93.802 -19.198 20.624 1.00 0.00 C ATOM 890 CG ASP B 3 92.874 -19.583 19.471 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.443 -20.725 19.437 1.00 0.00 O ATOM 892 OD2 ASP B 3 92.610 -18.730 18.641 1.00 0.00 O ATOM 0 H ASP B 3 92.057 -17.530 21.289 1.00 0.00 H new ATOM 0 HA ASP B 3 92.533 -20.250 22.016 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.172 -18.183 20.480 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.671 -19.855 20.636 1.00 0.00 H new ATOM 897 N GLY B 4 94.494 -17.999 23.400 1.00 0.00 N ATOM 898 CA GLY B 4 95.472 -17.833 24.507 1.00 0.00 C ATOM 899 C GLY B 4 94.838 -18.326 25.808 1.00 0.00 C ATOM 900 O GLY B 4 95.496 -18.887 26.657 1.00 0.00 O ATOM 0 H GLY B 4 94.210 -17.137 22.935 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.381 -18.396 24.294 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.760 -16.786 24.601 1.00 0.00 H new ATOM 904 N ILE B 5 93.560 -18.110 25.969 1.00 0.00 N ATOM 905 CA ILE B 5 92.878 -18.559 27.216 1.00 0.00 C ATOM 906 C ILE B 5 92.831 -20.090 27.277 1.00 0.00 C ATOM 907 O ILE B 5 92.979 -20.678 28.330 1.00 0.00 O ATOM 908 CB ILE B 5 91.452 -17.979 27.261 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.539 -16.467 27.513 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.647 -18.655 28.383 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.157 -15.824 27.359 1.00 0.00 C ATOM 0 H ILE B 5 92.959 -17.642 25.290 1.00 0.00 H new ATOM 0 HA ILE B 5 93.439 -18.198 28.078 1.00 0.00 H new ATOM 0 HB ILE B 5 90.948 -18.164 26.312 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.926 -16.280 28.515 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.239 -16.014 26.811 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.640 -18.240 28.409 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.593 -19.728 28.196 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.137 -18.478 29.340 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.232 -14.752 27.540 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.786 -15.996 26.349 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.468 -16.266 28.079 1.00 0.00 H new ATOM 923 N ASP B 6 92.588 -20.741 26.177 1.00 0.00 N ATOM 924 CA ASP B 6 92.502 -22.230 26.200 1.00 0.00 C ATOM 925 C ASP B 6 93.814 -22.840 26.702 1.00 0.00 C ATOM 926 O ASP B 6 93.815 -23.769 27.481 1.00 0.00 O ATOM 927 CB ASP B 6 92.221 -22.742 24.788 1.00 0.00 C ATOM 928 CG ASP B 6 90.767 -22.459 24.406 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.002 -22.112 25.291 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.442 -22.596 23.238 1.00 0.00 O ATOM 0 H ASP B 6 92.445 -20.310 25.263 1.00 0.00 H new ATOM 0 HA ASP B 6 91.697 -22.522 26.874 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.892 -22.260 24.078 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.417 -23.813 24.735 1.00 0.00 H new ATOM 935 N LYS B 7 94.934 -22.324 26.275 1.00 0.00 N ATOM 936 CA LYS B 7 96.227 -22.890 26.756 1.00 0.00 C ATOM 937 C LYS B 7 96.423 -22.527 28.228 1.00 0.00 C ATOM 938 O LYS B 7 96.897 -23.314 29.023 1.00 0.00 O ATOM 939 CB LYS B 7 97.390 -22.320 25.936 1.00 0.00 C ATOM 940 CG LYS B 7 97.208 -22.696 24.468 1.00 0.00 C ATOM 941 CD LYS B 7 98.377 -22.127 23.660 1.00 0.00 C ATOM 942 CE LYS B 7 98.223 -22.513 22.188 1.00 0.00 C ATOM 943 NZ LYS B 7 97.106 -21.738 21.584 1.00 0.00 N ATOM 0 H LYS B 7 95.011 -21.544 25.622 1.00 0.00 H new ATOM 0 HA LYS B 7 96.205 -23.974 26.640 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.428 -21.236 26.043 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.337 -22.710 26.308 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.167 -23.780 24.359 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.264 -22.302 24.093 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.407 -21.042 23.760 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.321 -22.509 24.049 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.150 -22.314 21.650 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.027 -23.582 22.100 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.139 -21.830 20.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.199 -22.106 21.935 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.198 -20.736 21.845 1.00 0.00 H new ATOM 957 N ALA B 8 96.068 -21.327 28.583 1.00 0.00 N ATOM 958 CA ALA B 8 96.230 -20.868 29.986 1.00 0.00 C ATOM 959 C ALA B 8 95.201 -21.549 30.899 1.00 0.00 C ATOM 960 O ALA B 8 95.408 -21.680 32.090 1.00 0.00 O ATOM 961 CB ALA B 8 96.045 -19.352 30.029 1.00 0.00 C ATOM 0 H ALA B 8 95.666 -20.635 27.950 1.00 0.00 H new ATOM 0 HA ALA B 8 97.226 -21.133 30.342 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.161 -19.000 31.054 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.793 -18.876 29.395 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.048 -19.097 29.669 1.00 0.00 H new ATOM 967 N GLN B 9 94.086 -21.965 30.359 1.00 0.00 N ATOM 968 CA GLN B 9 93.039 -22.611 31.207 1.00 0.00 C ATOM 969 C GLN B 9 93.597 -23.897 31.836 1.00 0.00 C ATOM 970 O GLN B 9 94.316 -24.647 31.208 1.00 0.00 O ATOM 971 CB GLN B 9 91.815 -22.927 30.331 1.00 0.00 C ATOM 972 CG GLN B 9 90.650 -23.391 31.211 1.00 0.00 C ATOM 973 CD GLN B 9 89.394 -23.602 30.359 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.381 -23.311 29.180 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.325 -24.090 30.926 1.00 0.00 N ATOM 0 H GLN B 9 93.854 -21.886 29.369 1.00 0.00 H new ATOM 0 HA GLN B 9 92.743 -21.937 32.011 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.524 -22.042 29.764 1.00 0.00 H new ATOM 0 HB3 GLN B 9 92.066 -23.702 29.606 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.915 -24.319 31.718 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.452 -22.650 31.986 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.339 -24.333 31.916 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.475 -24.228 30.379 1.00 0.00 H new ATOM 984 N GLU B 10 93.274 -24.147 33.078 1.00 0.00 N ATOM 985 CA GLU B 10 93.790 -25.373 33.758 1.00 0.00 C ATOM 986 C GLU B 10 92.985 -25.619 35.036 1.00 0.00 C ATOM 987 O GLU B 10 92.034 -24.922 35.323 1.00 0.00 O ATOM 988 CB GLU B 10 95.267 -25.178 34.115 1.00 0.00 C ATOM 989 CG GLU B 10 95.401 -24.017 35.100 1.00 0.00 C ATOM 990 CD GLU B 10 96.863 -23.573 35.197 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.710 -24.427 35.403 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.108 -22.383 35.066 1.00 0.00 O ATOM 0 H GLU B 10 92.674 -23.554 33.652 1.00 0.00 H new ATOM 0 HA GLU B 10 93.689 -26.229 33.091 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.670 -26.091 34.554 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.847 -24.974 33.215 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.780 -23.182 34.776 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.039 -24.320 36.082 1.00 0.00 H new ATOM 999 N GLU B 11 93.352 -26.606 35.803 1.00 0.00 N ATOM 1000 CA GLU B 11 92.599 -26.898 37.058 1.00 0.00 C ATOM 1001 C GLU B 11 92.839 -25.789 38.092 1.00 0.00 C ATOM 1002 O GLU B 11 93.851 -25.114 38.075 1.00 0.00 O ATOM 1003 CB GLU B 11 93.064 -28.235 37.640 1.00 0.00 C ATOM 1004 CG GLU B 11 92.593 -29.382 36.743 1.00 0.00 C ATOM 1005 CD GLU B 11 93.064 -30.710 37.338 1.00 0.00 C ATOM 1006 OE1 GLU B 11 92.388 -31.215 38.219 1.00 0.00 O ATOM 1007 OE2 GLU B 11 94.095 -31.195 36.909 1.00 0.00 O ATOM 0 H GLU B 11 94.141 -27.225 35.617 1.00 0.00 H new ATOM 0 HA GLU B 11 91.536 -26.947 36.823 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.151 -28.248 37.722 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.667 -28.362 38.647 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.506 -29.372 36.660 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.991 -29.259 35.736 1.00 0.00 H new ATOM 1014 N HIS B 12 91.908 -25.601 38.992 1.00 0.00 N ATOM 1015 CA HIS B 12 92.057 -24.542 40.036 1.00 0.00 C ATOM 1016 C HIS B 12 93.157 -24.949 41.013 1.00 0.00 C ATOM 1017 O HIS B 12 92.895 -25.305 42.146 1.00 0.00 O ATOM 1018 CB HIS B 12 90.735 -24.408 40.792 1.00 0.00 C ATOM 1019 CG HIS B 12 90.841 -23.344 41.854 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.627 -21.995 41.587 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.100 -23.422 43.201 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.754 -21.325 42.757 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.043 -22.152 43.762 1.00 0.00 N ATOM 0 H HIS B 12 91.044 -26.140 39.049 1.00 0.00 H new ATOM 0 HA HIS B 12 92.318 -23.592 39.569 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.935 -24.157 40.096 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.472 -25.362 41.249 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.315 -24.332 43.742 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.636 -20.257 42.863 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.192 -21.904 44.740 1.00 0.00 H new ATOM 1031 N GLU B 13 94.392 -24.903 40.575 1.00 0.00 N ATOM 1032 CA GLU B 13 95.531 -25.298 41.464 1.00 0.00 C ATOM 1033 C GLU B 13 96.219 -24.046 42.031 1.00 0.00 C ATOM 1034 O GLU B 13 95.602 -23.022 42.241 1.00 0.00 O ATOM 1035 CB GLU B 13 96.537 -26.126 40.651 1.00 0.00 C ATOM 1036 CG GLU B 13 97.244 -27.137 41.566 1.00 0.00 C ATOM 1037 CD GLU B 13 96.288 -28.289 41.872 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.046 -29.091 40.983 1.00 0.00 O ATOM 1039 OE2 GLU B 13 95.802 -28.341 42.986 1.00 0.00 O ATOM 0 H GLU B 13 94.662 -24.608 39.637 1.00 0.00 H new ATOM 0 HA GLU B 13 95.153 -25.893 42.296 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.023 -26.650 39.845 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.271 -25.468 40.186 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.145 -27.515 41.083 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.557 -26.652 42.491 1.00 0.00 H new ATOM 1046 N LYS B 14 97.497 -24.139 42.286 1.00 0.00 N ATOM 1047 CA LYS B 14 98.253 -22.981 42.848 1.00 0.00 C ATOM 1048 C LYS B 14 98.385 -21.879 41.790 1.00 0.00 C ATOM 1049 O LYS B 14 98.421 -20.708 42.103 1.00 0.00 O ATOM 1050 CB LYS B 14 99.653 -23.445 43.282 1.00 0.00 C ATOM 1051 CG LYS B 14 99.535 -24.361 44.508 1.00 0.00 C ATOM 1052 CD LYS B 14 100.929 -24.827 44.950 1.00 0.00 C ATOM 1053 CE LYS B 14 100.798 -25.756 46.164 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.518 -24.952 47.391 1.00 0.00 N ATOM 0 H LYS B 14 98.056 -24.977 42.127 1.00 0.00 H new ATOM 0 HA LYS B 14 97.714 -22.587 43.710 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.141 -23.976 42.464 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.276 -22.582 43.519 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.044 -23.830 45.324 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.913 -25.223 44.270 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.426 -25.348 44.132 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.548 -23.966 45.203 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.995 -26.474 45.998 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.716 -26.329 46.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.514 -25.577 48.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.254 -24.227 47.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.590 -24.492 47.300 1.00 0.00 H new ATOM 1068 N TYR B 15 98.481 -22.252 40.541 1.00 0.00 N ATOM 1069 CA TYR B 15 98.633 -21.235 39.456 1.00 0.00 C ATOM 1070 C TYR B 15 97.423 -20.293 39.448 1.00 0.00 C ATOM 1071 O TYR B 15 97.559 -19.104 39.236 1.00 0.00 O ATOM 1072 CB TYR B 15 98.749 -21.947 38.097 1.00 0.00 C ATOM 1073 CG TYR B 15 100.154 -22.480 37.929 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.163 -21.656 37.416 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.449 -23.796 38.305 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.468 -22.151 37.278 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.749 -24.290 38.169 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.759 -23.467 37.656 1.00 0.00 C ATOM 1079 OH TYR B 15 104.045 -23.950 37.524 1.00 0.00 O ATOM 0 H TYR B 15 98.461 -23.221 40.223 1.00 0.00 H new ATOM 0 HA TYR B 15 99.535 -20.650 39.636 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.029 -22.763 38.039 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.512 -21.254 37.289 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.937 -20.640 37.127 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.670 -24.431 38.701 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.247 -21.518 36.881 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.975 -25.306 38.459 1.00 0.00 H new ATOM 0 HH TYR B 15 104.078 -24.880 37.832 1.00 0.00 H new ATOM 1089 N HIS B 16 96.243 -20.807 39.658 1.00 0.00 N ATOM 1090 CA HIS B 16 95.041 -19.922 39.642 1.00 0.00 C ATOM 1091 C HIS B 16 95.173 -18.854 40.732 1.00 0.00 C ATOM 1092 O HIS B 16 94.827 -17.706 40.527 1.00 0.00 O ATOM 1093 CB HIS B 16 93.775 -20.756 39.890 1.00 0.00 C ATOM 1094 CG HIS B 16 93.324 -21.403 38.610 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.978 -21.608 38.327 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.013 -21.855 37.511 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.901 -22.158 37.102 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.112 -22.328 36.563 1.00 0.00 N ATOM 0 H HIS B 16 96.058 -21.794 39.839 1.00 0.00 H new ATOM 0 HA HIS B 16 94.967 -19.439 38.668 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.975 -21.519 40.642 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.982 -20.120 40.284 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.087 -21.845 37.400 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.976 -22.429 36.615 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.330 -22.722 35.648 1.00 0.00 H new ATOM 1106 N SER B 17 95.666 -19.215 41.885 1.00 0.00 N ATOM 1107 CA SER B 17 95.813 -18.205 42.970 1.00 0.00 C ATOM 1108 C SER B 17 96.740 -17.088 42.497 1.00 0.00 C ATOM 1109 O SER B 17 96.457 -15.920 42.671 1.00 0.00 O ATOM 1110 CB SER B 17 96.421 -18.871 44.202 1.00 0.00 C ATOM 1111 OG SER B 17 97.781 -19.195 43.934 1.00 0.00 O ATOM 0 H SER B 17 95.971 -20.159 42.121 1.00 0.00 H new ATOM 0 HA SER B 17 94.835 -17.792 43.219 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.356 -18.203 45.061 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.863 -19.772 44.456 1.00 0.00 H new ATOM 0 HG SER B 17 97.825 -20.047 43.452 1.00 0.00 H new ATOM 1117 N ASN B 18 97.842 -17.437 41.890 1.00 0.00 N ATOM 1118 CA ASN B 18 98.789 -16.397 41.392 1.00 0.00 C ATOM 1119 C ASN B 18 98.531 -16.154 39.908 1.00 0.00 C ATOM 1120 O ASN B 18 98.981 -16.897 39.061 1.00 0.00 O ATOM 1121 CB ASN B 18 100.233 -16.872 41.583 1.00 0.00 C ATOM 1122 CG ASN B 18 100.574 -16.884 43.078 1.00 0.00 C ATOM 1123 OD1 ASN B 18 99.998 -16.143 43.852 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.498 -17.694 43.517 1.00 0.00 N ATOM 0 H ASN B 18 98.128 -18.401 41.717 1.00 0.00 H new ATOM 0 HA ASN B 18 98.638 -15.474 41.952 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.357 -17.870 41.163 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.917 -16.213 41.048 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.737 -17.706 44.509 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.981 -18.316 42.869 1.00 0.00 H new ATOM 1131 N TRP B 19 97.813 -15.116 39.589 1.00 0.00 N ATOM 1132 CA TRP B 19 97.529 -14.814 38.162 1.00 0.00 C ATOM 1133 C TRP B 19 98.768 -14.196 37.513 1.00 0.00 C ATOM 1134 O TRP B 19 98.956 -14.269 36.310 1.00 0.00 O ATOM 1135 CB TRP B 19 96.339 -13.857 38.055 1.00 0.00 C ATOM 1136 CG TRP B 19 96.666 -12.538 38.673 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.298 -12.151 39.915 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.410 -11.426 38.100 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.757 -10.867 40.135 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.449 -10.379 39.047 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.045 -11.228 36.861 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.093 -9.175 38.778 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.697 -10.014 36.588 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.719 -8.989 37.544 1.00 0.00 C ATOM 0 H TRP B 19 97.409 -14.461 40.259 1.00 0.00 H new ATOM 0 HA TRP B 19 97.278 -15.738 37.641 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.071 -13.717 37.008 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.471 -14.291 38.551 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.737 -12.748 40.619 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.603 -10.344 40.997 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.031 -12.011 36.117 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.108 -8.390 39.519 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.185 -9.869 35.635 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.219 -8.057 37.326 1.00 0.00 H new ATOM 1155 N ARG B 20 99.610 -13.578 38.300 1.00 0.00 N ATOM 1156 CA ARG B 20 100.835 -12.949 37.735 1.00 0.00 C ATOM 1157 C ARG B 20 101.702 -14.004 37.063 1.00 0.00 C ATOM 1158 O ARG B 20 102.266 -13.781 36.014 1.00 0.00 O ATOM 1159 CB ARG B 20 101.636 -12.299 38.862 1.00 0.00 C ATOM 1160 CG ARG B 20 100.908 -11.060 39.373 1.00 0.00 C ATOM 1161 CD ARG B 20 101.742 -10.431 40.487 1.00 0.00 C ATOM 1162 NE ARG B 20 100.973 -9.328 41.144 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.546 -8.299 40.469 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.902 -8.131 39.225 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.802 -7.402 41.054 1.00 0.00 N ATOM 0 H ARG B 20 99.500 -13.483 39.310 1.00 0.00 H new ATOM 0 HA ARG B 20 100.541 -12.199 37.001 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.776 -13.010 39.676 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.628 -12.026 38.503 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.760 -10.347 38.562 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.920 -11.329 39.746 1.00 0.00 H new ATOM 0 HD2 ARG B 20 102.009 -11.188 41.224 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.674 -10.042 40.078 1.00 0.00 H new ATOM 0 HE ARG B 20 100.779 -9.383 42.144 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.518 -8.808 38.775 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.564 -7.323 38.702 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.556 -7.507 42.038 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.467 -6.595 40.527 1.00 0.00 H new ATOM 1179 N ALA B 21 101.817 -15.154 37.653 1.00 0.00 N ATOM 1180 CA ALA B 21 102.651 -16.213 37.029 1.00 0.00 C ATOM 1181 C ALA B 21 102.055 -16.580 35.670 1.00 0.00 C ATOM 1182 O ALA B 21 102.765 -16.785 34.706 1.00 0.00 O ATOM 1183 CB ALA B 21 102.679 -17.450 37.933 1.00 0.00 C ATOM 0 H ALA B 21 101.373 -15.408 38.536 1.00 0.00 H new ATOM 0 HA ALA B 21 103.670 -15.848 36.897 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.292 -18.224 37.471 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.101 -17.183 38.902 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.664 -17.824 38.070 1.00 0.00 H new ATOM 1189 N MET B 22 100.755 -16.670 35.584 1.00 0.00 N ATOM 1190 CA MET B 22 100.120 -17.037 34.283 1.00 0.00 C ATOM 1191 C MET B 22 100.432 -15.975 33.227 1.00 0.00 C ATOM 1192 O MET B 22 100.746 -16.283 32.094 1.00 0.00 O ATOM 1193 CB MET B 22 98.602 -17.117 34.464 1.00 0.00 C ATOM 1194 CG MET B 22 97.967 -17.741 33.218 1.00 0.00 C ATOM 1195 SD MET B 22 96.193 -17.378 33.182 1.00 0.00 S ATOM 1196 CE MET B 22 95.751 -18.120 34.773 1.00 0.00 C ATOM 0 H MET B 22 100.107 -16.506 36.354 1.00 0.00 H new ATOM 0 HA MET B 22 100.513 -18.000 33.958 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.362 -17.713 35.344 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.193 -16.121 34.633 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.445 -17.349 32.320 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.126 -18.819 33.219 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.678 -18.309 34.801 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.288 -19.060 34.898 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.020 -17.438 35.580 1.00 0.00 H new ATOM 1206 N ALA B 23 100.335 -14.729 33.584 1.00 0.00 N ATOM 1207 CA ALA B 23 100.614 -13.644 32.605 1.00 0.00 C ATOM 1208 C ALA B 23 102.078 -13.725 32.174 1.00 0.00 C ATOM 1209 O ALA B 23 102.406 -13.619 31.009 1.00 0.00 O ATOM 1210 CB ALA B 23 100.345 -12.295 33.277 1.00 0.00 C ATOM 0 H ALA B 23 100.073 -14.412 34.517 1.00 0.00 H new ATOM 0 HA ALA B 23 99.975 -13.750 31.729 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.546 -11.490 32.570 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.303 -12.248 33.594 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.994 -12.185 34.146 1.00 0.00 H new ATOM 1216 N SER B 24 102.957 -13.910 33.117 1.00 0.00 N ATOM 1217 CA SER B 24 104.409 -13.996 32.791 1.00 0.00 C ATOM 1218 C SER B 24 104.683 -15.267 31.995 1.00 0.00 C ATOM 1219 O SER B 24 105.468 -15.273 31.068 1.00 0.00 O ATOM 1220 CB SER B 24 105.220 -14.044 34.086 1.00 0.00 C ATOM 1221 OG SER B 24 106.588 -14.270 33.774 1.00 0.00 O ATOM 0 H SER B 24 102.732 -14.006 34.107 1.00 0.00 H new ATOM 0 HA SER B 24 104.694 -13.123 32.203 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.110 -13.108 34.633 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.847 -14.837 34.734 1.00 0.00 H new ATOM 0 HG SER B 24 107.112 -14.300 34.602 1.00 0.00 H new ATOM 1227 N ASP B 25 104.053 -16.350 32.358 1.00 0.00 N ATOM 1228 CA ASP B 25 104.295 -17.623 31.624 1.00 0.00 C ATOM 1229 C ASP B 25 103.883 -17.454 30.161 1.00 0.00 C ATOM 1230 O ASP B 25 104.550 -17.928 29.261 1.00 0.00 O ATOM 1231 CB ASP B 25 103.469 -18.747 32.256 1.00 0.00 C ATOM 1232 CG ASP B 25 103.803 -20.076 31.577 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.335 -20.040 30.482 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.519 -21.110 32.166 1.00 0.00 O ATOM 0 H ASP B 25 103.385 -16.409 33.127 1.00 0.00 H new ATOM 0 HA ASP B 25 105.354 -17.875 31.680 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.679 -18.810 33.324 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.405 -18.532 32.153 1.00 0.00 H new ATOM 1239 N PHE B 26 102.787 -16.778 29.917 1.00 0.00 N ATOM 1240 CA PHE B 26 102.317 -16.576 28.512 1.00 0.00 C ATOM 1241 C PHE B 26 102.692 -15.172 28.024 1.00 0.00 C ATOM 1242 O PHE B 26 102.392 -14.800 26.907 1.00 0.00 O ATOM 1243 CB PHE B 26 100.798 -16.743 28.457 1.00 0.00 C ATOM 1244 CG PHE B 26 100.435 -18.205 28.599 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.395 -19.027 27.466 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.128 -18.733 29.856 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.049 -20.378 27.594 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.779 -20.084 29.983 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.739 -20.906 28.853 1.00 0.00 C ATOM 0 H PHE B 26 102.196 -16.356 30.633 1.00 0.00 H new ATOM 0 HA PHE B 26 102.795 -17.315 27.868 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.331 -16.164 29.254 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.415 -16.354 27.514 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.631 -18.619 26.494 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.160 -18.099 30.730 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.021 -21.013 26.721 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.541 -20.491 30.955 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.469 -21.947 28.951 1.00 0.00 H new ATOM 1259 N ASN B 27 103.350 -14.395 28.847 1.00 0.00 N ATOM 1260 CA ASN B 27 103.759 -13.017 28.429 1.00 0.00 C ATOM 1261 C ASN B 27 102.534 -12.207 27.985 1.00 0.00 C ATOM 1262 O ASN B 27 102.576 -11.499 26.998 1.00 0.00 O ATOM 1263 CB ASN B 27 104.766 -13.100 27.273 1.00 0.00 C ATOM 1264 CG ASN B 27 106.088 -13.671 27.789 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.381 -13.589 28.966 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.903 -14.255 26.955 1.00 0.00 N ATOM 0 H ASN B 27 103.623 -14.656 29.794 1.00 0.00 H new ATOM 0 HA ASN B 27 104.223 -12.519 29.280 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.371 -13.731 26.477 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.927 -12.111 26.845 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.785 -14.642 27.291 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.658 -14.325 25.967 1.00 0.00 H new ATOM 1273 N LEU B 28 101.445 -12.309 28.707 1.00 0.00 N ATOM 1274 CA LEU B 28 100.205 -11.549 28.341 1.00 0.00 C ATOM 1275 C LEU B 28 99.892 -10.557 29.464 1.00 0.00 C ATOM 1276 O LEU B 28 100.212 -10.801 30.609 1.00 0.00 O ATOM 1277 CB LEU B 28 99.034 -12.527 28.214 1.00 0.00 C ATOM 1278 CG LEU B 28 99.247 -13.454 27.007 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.336 -14.675 27.145 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.908 -12.725 25.695 1.00 0.00 C ATOM 0 H LEU B 28 101.360 -12.890 29.541 1.00 0.00 H new ATOM 0 HA LEU B 28 100.355 -11.024 27.397 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.944 -13.119 29.125 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.101 -11.976 28.098 1.00 0.00 H new ATOM 0 HG LEU B 28 100.293 -13.759 26.982 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.483 -15.337 26.291 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.579 -15.209 28.064 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.296 -14.351 27.178 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.066 -13.399 24.853 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.866 -12.406 25.715 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.552 -11.852 25.587 1.00 0.00 H new ATOM 1292 N PRO B 29 99.260 -9.452 29.158 1.00 0.00 N ATOM 1293 CA PRO B 29 98.906 -8.441 30.195 1.00 0.00 C ATOM 1294 C PRO B 29 97.866 -8.999 31.176 1.00 0.00 C ATOM 1295 O PRO B 29 97.218 -9.988 30.898 1.00 0.00 O ATOM 1296 CB PRO B 29 98.344 -7.262 29.385 1.00 0.00 C ATOM 1297 CG PRO B 29 97.876 -7.861 28.101 1.00 0.00 C ATOM 1298 CD PRO B 29 98.815 -9.031 27.813 1.00 0.00 C ATOM 0 HA PRO B 29 99.757 -8.151 30.811 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.525 -6.775 29.914 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.107 -6.504 29.211 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.844 -8.201 28.183 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.907 -7.128 27.295 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.303 -9.838 27.288 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.655 -8.728 27.188 1.00 0.00 H new ATOM 1306 N PRO B 30 97.722 -8.389 32.322 1.00 0.00 N ATOM 1307 CA PRO B 30 96.754 -8.851 33.363 1.00 0.00 C ATOM 1308 C PRO B 30 95.316 -8.955 32.824 1.00 0.00 C ATOM 1309 O PRO B 30 94.474 -9.609 33.402 1.00 0.00 O ATOM 1310 CB PRO B 30 96.850 -7.774 34.471 1.00 0.00 C ATOM 1311 CG PRO B 30 97.550 -6.606 33.839 1.00 0.00 C ATOM 1312 CD PRO B 30 98.455 -7.189 32.757 1.00 0.00 C ATOM 0 HA PRO B 30 96.994 -9.854 33.717 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.860 -7.491 34.829 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.406 -8.145 35.332 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.832 -5.906 33.411 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.131 -6.054 34.578 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.605 -6.488 31.936 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.442 -7.438 33.147 1.00 0.00 H new ATOM 1320 N VAL B 31 95.020 -8.301 31.736 1.00 0.00 N ATOM 1321 CA VAL B 31 93.630 -8.352 31.195 1.00 0.00 C ATOM 1322 C VAL B 31 93.233 -9.789 30.868 1.00 0.00 C ATOM 1323 O VAL B 31 92.186 -10.255 31.268 1.00 0.00 O ATOM 1324 CB VAL B 31 93.570 -7.492 29.927 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.236 -7.697 29.194 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.708 -6.024 30.322 1.00 0.00 C ATOM 0 H VAL B 31 95.676 -7.735 31.198 1.00 0.00 H new ATOM 0 HA VAL B 31 92.934 -7.971 31.942 1.00 0.00 H new ATOM 0 HB VAL B 31 94.380 -7.785 29.260 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.215 -7.078 28.297 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.132 -8.745 28.913 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.413 -7.414 29.850 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.667 -5.401 29.428 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.894 -5.750 30.993 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.662 -5.871 30.827 1.00 0.00 H new ATOM 1336 N VAL B 32 94.049 -10.498 30.152 1.00 0.00 N ATOM 1337 CA VAL B 32 93.690 -11.899 29.812 1.00 0.00 C ATOM 1338 C VAL B 32 93.680 -12.744 31.086 1.00 0.00 C ATOM 1339 O VAL B 32 92.774 -13.518 31.318 1.00 0.00 O ATOM 1340 CB VAL B 32 94.718 -12.457 28.823 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.502 -13.962 28.633 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.556 -11.755 27.480 1.00 0.00 C ATOM 0 H VAL B 32 94.945 -10.173 29.788 1.00 0.00 H new ATOM 0 HA VAL B 32 92.700 -11.927 29.357 1.00 0.00 H new ATOM 0 HB VAL B 32 95.720 -12.285 29.215 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.238 -14.349 27.928 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.615 -14.470 29.591 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.499 -14.139 28.245 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.286 -12.149 26.773 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.550 -11.929 27.098 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.716 -10.684 27.607 1.00 0.00 H new ATOM 1352 N ALA B 33 94.681 -12.604 31.904 1.00 0.00 N ATOM 1353 CA ALA B 33 94.730 -13.406 33.157 1.00 0.00 C ATOM 1354 C ALA B 33 93.562 -13.016 34.071 1.00 0.00 C ATOM 1355 O ALA B 33 92.939 -13.861 34.680 1.00 0.00 O ATOM 1356 CB ALA B 33 96.062 -13.168 33.875 1.00 0.00 C ATOM 0 H ALA B 33 95.467 -11.970 31.761 1.00 0.00 H new ATOM 0 HA ALA B 33 94.646 -14.464 32.908 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.092 -13.758 34.791 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.884 -13.466 33.225 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.159 -12.111 34.121 1.00 0.00 H new ATOM 1362 N LYS B 34 93.250 -11.749 34.171 1.00 0.00 N ATOM 1363 CA LYS B 34 92.112 -11.338 35.045 1.00 0.00 C ATOM 1364 C LYS B 34 90.806 -11.935 34.507 1.00 0.00 C ATOM 1365 O LYS B 34 89.961 -12.369 35.261 1.00 0.00 O ATOM 1366 CB LYS B 34 92.016 -9.803 35.115 1.00 0.00 C ATOM 1367 CG LYS B 34 93.199 -9.234 35.924 1.00 0.00 C ATOM 1368 CD LYS B 34 92.929 -9.331 37.431 1.00 0.00 C ATOM 1369 CE LYS B 34 94.015 -8.549 38.172 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.760 -8.614 39.636 1.00 0.00 N ATOM 0 H LYS B 34 93.729 -10.988 33.690 1.00 0.00 H new ATOM 0 HA LYS B 34 92.284 -11.714 36.054 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.019 -9.384 34.109 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.074 -9.511 35.579 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.109 -9.780 35.678 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.367 -8.193 35.647 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.944 -8.926 37.666 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.929 -10.374 37.749 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.997 -8.964 37.944 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.022 -7.511 37.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.498 -8.083 40.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.830 -8.199 39.845 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.774 -9.606 39.947 1.00 0.00 H new ATOM 1384 N GLU B 35 90.624 -11.964 33.209 1.00 0.00 N ATOM 1385 CA GLU B 35 89.357 -12.537 32.663 1.00 0.00 C ATOM 1386 C GLU B 35 89.233 -14.008 33.080 1.00 0.00 C ATOM 1387 O GLU B 35 88.166 -14.472 33.429 1.00 0.00 O ATOM 1388 CB GLU B 35 89.355 -12.430 31.133 1.00 0.00 C ATOM 1389 CG GLU B 35 87.979 -12.837 30.580 1.00 0.00 C ATOM 1390 CD GLU B 35 87.865 -14.362 30.537 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.865 -15.006 30.270 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.775 -14.858 30.767 1.00 0.00 O ATOM 0 H GLU B 35 91.287 -11.621 32.514 1.00 0.00 H new ATOM 0 HA GLU B 35 88.510 -11.978 33.061 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.590 -11.409 30.831 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.129 -13.073 30.714 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.189 -12.422 31.206 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.843 -12.425 29.580 1.00 0.00 H new ATOM 1399 N ILE B 36 90.310 -14.748 33.060 1.00 0.00 N ATOM 1400 CA ILE B 36 90.227 -16.180 33.477 1.00 0.00 C ATOM 1401 C ILE B 36 89.782 -16.241 34.938 1.00 0.00 C ATOM 1402 O ILE B 36 88.975 -17.063 35.319 1.00 0.00 O ATOM 1403 CB ILE B 36 91.596 -16.837 33.312 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.908 -16.971 31.822 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.595 -18.228 33.954 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.379 -17.325 31.636 1.00 0.00 C ATOM 0 H ILE B 36 91.236 -14.428 32.776 1.00 0.00 H new ATOM 0 HA ILE B 36 89.506 -16.713 32.857 1.00 0.00 H new ATOM 0 HB ILE B 36 92.351 -16.221 33.800 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.279 -17.742 31.377 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.681 -16.037 31.307 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.576 -18.687 33.830 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.368 -18.138 35.016 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.840 -18.850 33.473 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.599 -17.420 30.573 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.000 -16.539 32.066 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.592 -18.270 32.136 1.00 0.00 H new ATOM 1418 N VAL B 37 90.296 -15.358 35.753 1.00 0.00 N ATOM 1419 CA VAL B 37 89.902 -15.331 37.194 1.00 0.00 C ATOM 1420 C VAL B 37 88.400 -15.074 37.292 1.00 0.00 C ATOM 1421 O VAL B 37 87.703 -15.668 38.094 1.00 0.00 O ATOM 1422 CB VAL B 37 90.672 -14.202 37.893 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.116 -13.973 39.307 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.152 -14.581 37.977 1.00 0.00 C ATOM 0 H VAL B 37 90.977 -14.649 35.481 1.00 0.00 H new ATOM 0 HA VAL B 37 90.136 -16.282 37.672 1.00 0.00 H new ATOM 0 HB VAL B 37 90.558 -13.282 37.320 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.672 -13.170 39.791 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.063 -13.699 39.244 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.219 -14.888 39.891 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.704 -13.783 38.473 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.259 -15.504 38.546 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.548 -14.726 36.972 1.00 0.00 H new ATOM 1434 N ALA B 38 87.900 -14.195 36.478 1.00 0.00 N ATOM 1435 CA ALA B 38 86.447 -13.896 36.504 1.00 0.00 C ATOM 1436 C ALA B 38 85.666 -15.129 36.048 1.00 0.00 C ATOM 1437 O ALA B 38 84.596 -15.421 36.547 1.00 0.00 O ATOM 1438 CB ALA B 38 86.158 -12.729 35.557 1.00 0.00 C ATOM 0 H ALA B 38 88.438 -13.667 35.791 1.00 0.00 H new ATOM 0 HA ALA B 38 86.144 -13.630 37.517 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.092 -12.504 35.571 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.718 -11.851 35.880 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.458 -12.999 34.545 1.00 0.00 H new ATOM 1444 N SER B 39 86.189 -15.846 35.093 1.00 0.00 N ATOM 1445 CA SER B 39 85.477 -17.054 34.585 1.00 0.00 C ATOM 1446 C SER B 39 85.499 -18.161 35.641 1.00 0.00 C ATOM 1447 O SER B 39 84.526 -18.863 35.831 1.00 0.00 O ATOM 1448 CB SER B 39 86.162 -17.550 33.313 1.00 0.00 C ATOM 1449 OG SER B 39 86.084 -16.538 32.320 1.00 0.00 O ATOM 0 H SER B 39 87.081 -15.648 34.640 1.00 0.00 H new ATOM 0 HA SER B 39 84.442 -16.792 34.367 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.204 -17.796 33.518 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.683 -18.463 32.959 1.00 0.00 H new ATOM 0 HG SER B 39 86.949 -16.082 32.249 1.00 0.00 H new ATOM 1455 N CYS B 40 86.590 -18.322 36.338 1.00 0.00 N ATOM 1456 CA CYS B 40 86.636 -19.382 37.385 1.00 0.00 C ATOM 1457 C CYS B 40 85.864 -18.897 38.607 1.00 0.00 C ATOM 1458 O CYS B 40 86.243 -17.944 39.254 1.00 0.00 O ATOM 1459 CB CYS B 40 88.082 -19.677 37.778 1.00 0.00 C ATOM 1460 SG CYS B 40 88.152 -21.242 38.683 1.00 0.00 S ATOM 0 H CYS B 40 87.443 -17.773 36.230 1.00 0.00 H new ATOM 0 HA CYS B 40 86.188 -20.296 36.995 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.709 -19.731 36.888 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.475 -18.869 38.396 1.00 0.00 H new ATOM 1465 N ASP B 41 84.779 -19.538 38.920 1.00 0.00 N ATOM 1466 CA ASP B 41 83.973 -19.113 40.091 1.00 0.00 C ATOM 1467 C ASP B 41 84.807 -19.203 41.374 1.00 0.00 C ATOM 1468 O ASP B 41 84.709 -18.360 42.243 1.00 0.00 O ATOM 1469 CB ASP B 41 82.742 -20.013 40.214 1.00 0.00 C ATOM 1470 CG ASP B 41 81.761 -19.702 39.083 1.00 0.00 C ATOM 1471 OD1 ASP B 41 80.970 -18.784 39.244 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.817 -20.384 38.072 1.00 0.00 O ATOM 0 H ASP B 41 84.413 -20.343 38.412 1.00 0.00 H new ATOM 0 HA ASP B 41 83.660 -18.079 39.949 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.040 -21.061 40.172 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.260 -19.857 41.179 1.00 0.00 H new ATOM 1477 N LYS B 42 85.604 -20.223 41.521 1.00 0.00 N ATOM 1478 CA LYS B 42 86.412 -20.352 42.767 1.00 0.00 C ATOM 1479 C LYS B 42 87.340 -19.146 42.925 1.00 0.00 C ATOM 1480 O LYS B 42 87.507 -18.618 44.009 1.00 0.00 O ATOM 1481 CB LYS B 42 87.244 -21.630 42.700 1.00 0.00 C ATOM 1482 CG LYS B 42 86.315 -22.837 42.810 1.00 0.00 C ATOM 1483 CD LYS B 42 87.140 -24.124 42.732 1.00 0.00 C ATOM 1484 CE LYS B 42 86.205 -25.330 42.847 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.969 -26.582 42.584 1.00 0.00 N ATOM 0 H LYS B 42 85.732 -20.969 40.838 1.00 0.00 H new ATOM 0 HA LYS B 42 85.739 -20.393 43.624 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.800 -21.668 41.763 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.977 -21.645 43.507 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.765 -22.801 43.750 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.577 -22.816 42.008 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.688 -24.162 41.790 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.880 -24.145 43.532 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.761 -25.365 43.842 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.385 -25.236 42.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 86.332 -27.400 42.663 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.372 -26.548 41.626 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.737 -26.673 43.280 1.00 0.00 H new ATOM 1499 N CYS B 43 87.950 -18.709 41.858 1.00 0.00 N ATOM 1500 CA CYS B 43 88.866 -17.538 41.951 1.00 0.00 C ATOM 1501 C CYS B 43 88.057 -16.234 41.969 1.00 0.00 C ATOM 1502 O CYS B 43 88.495 -15.230 42.489 1.00 0.00 O ATOM 1503 CB CYS B 43 89.807 -17.507 40.741 1.00 0.00 C ATOM 1504 SG CYS B 43 90.543 -19.134 40.483 1.00 0.00 S ATOM 0 H CYS B 43 87.854 -19.112 40.926 1.00 0.00 H new ATOM 0 HA CYS B 43 89.444 -17.630 42.870 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.256 -17.203 39.851 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.591 -16.766 40.899 1.00 0.00 H new ATOM 1509 N GLN B 44 86.902 -16.228 41.354 1.00 0.00 N ATOM 1510 CA GLN B 44 86.089 -14.971 41.283 1.00 0.00 C ATOM 1511 C GLN B 44 85.594 -14.555 42.672 1.00 0.00 C ATOM 1512 O GLN B 44 85.914 -13.485 43.152 1.00 0.00 O ATOM 1513 CB GLN B 44 84.880 -15.219 40.372 1.00 0.00 C ATOM 1514 CG GLN B 44 84.054 -13.938 40.229 1.00 0.00 C ATOM 1515 CD GLN B 44 82.909 -14.174 39.236 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.797 -14.459 39.633 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.135 -14.068 37.954 1.00 0.00 N ATOM 0 H GLN B 44 86.484 -17.039 40.897 1.00 0.00 H new ATOM 0 HA GLN B 44 86.714 -14.170 40.887 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.217 -15.554 39.391 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.261 -16.015 40.786 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.653 -13.641 41.198 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.687 -13.121 39.882 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.068 -13.829 37.619 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.378 -14.224 37.288 1.00 0.00 H new ATOM 1526 N LEU B 45 84.828 -15.381 43.327 1.00 0.00 N ATOM 1527 CA LEU B 45 84.332 -15.007 44.685 1.00 0.00 C ATOM 1528 C LEU B 45 85.454 -15.226 45.699 1.00 0.00 C ATOM 1529 O LEU B 45 85.836 -16.339 45.983 1.00 0.00 O ATOM 1530 CB LEU B 45 83.123 -15.871 45.066 1.00 0.00 C ATOM 1531 CG LEU B 45 81.995 -15.704 44.035 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.782 -16.540 44.470 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.583 -14.226 43.923 1.00 0.00 C ATOM 0 H LEU B 45 84.524 -16.293 42.986 1.00 0.00 H new ATOM 0 HA LEU B 45 84.028 -13.960 44.682 1.00 0.00 H new ATOM 0 HB2 LEU B 45 83.420 -16.918 45.122 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.764 -15.588 46.056 1.00 0.00 H new ATOM 0 HG LEU B 45 82.352 -16.044 43.063 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.980 -16.424 43.741 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.067 -17.590 44.532 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.437 -16.200 45.446 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.784 -14.126 43.189 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.232 -13.872 44.892 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.441 -13.632 43.608 1.00 0.00 H new ATOM 1545 N LYS B 46 85.991 -14.169 46.236 1.00 0.00 N ATOM 1546 CA LYS B 46 87.098 -14.301 47.225 1.00 0.00 C ATOM 1547 C LYS B 46 86.533 -14.340 48.651 1.00 0.00 C ATOM 1548 O LYS B 46 85.844 -13.437 49.075 1.00 0.00 O ATOM 1549 CB LYS B 46 88.027 -13.095 47.075 1.00 0.00 C ATOM 1550 CG LYS B 46 88.706 -13.153 45.701 1.00 0.00 C ATOM 1551 CD LYS B 46 89.650 -11.950 45.518 1.00 0.00 C ATOM 1552 CE LYS B 46 91.026 -12.241 46.136 1.00 0.00 C ATOM 1553 NZ LYS B 46 91.756 -13.251 45.315 1.00 0.00 N ATOM 0 H LYS B 46 85.709 -13.210 46.031 1.00 0.00 H new ATOM 0 HA LYS B 46 87.645 -15.226 47.043 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.461 -12.169 47.176 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.777 -13.098 47.866 1.00 0.00 H new ATOM 0 HG2 LYS B 46 89.268 -14.082 45.605 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.951 -13.154 44.915 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.762 -11.727 44.457 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.216 -11.066 45.985 1.00 0.00 H new ATOM 0 HE2 LYS B 46 91.608 -11.321 46.196 1.00 0.00 H new ATOM 0 HE3 LYS B 46 90.905 -12.609 47.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 92.777 -13.173 45.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 91.431 -14.206 45.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.570 -13.079 44.306 1.00 0.00 H new ATOM 1567 N GLY B 47 86.832 -15.367 49.401 1.00 0.00 N ATOM 1568 CA GLY B 47 86.320 -15.442 50.801 1.00 0.00 C ATOM 1569 C GLY B 47 84.802 -15.634 50.796 1.00 0.00 C ATOM 1570 O GLY B 47 84.185 -15.789 49.759 1.00 0.00 O ATOM 0 H GLY B 47 87.407 -16.156 49.106 1.00 0.00 H new ATOM 0 HA2 GLY B 47 86.797 -16.269 51.327 1.00 0.00 H new ATOM 0 HA3 GLY B 47 86.577 -14.530 51.340 1.00 0.00 H new ATOM 1574 N GLU B 48 84.193 -15.622 51.953 1.00 0.00 N ATOM 1575 CA GLU B 48 82.711 -15.801 52.031 1.00 0.00 C ATOM 1576 C GLU B 48 82.000 -14.474 51.732 1.00 0.00 C ATOM 1577 O GLU B 48 82.428 -13.421 52.155 1.00 0.00 O ATOM 1578 CB GLU B 48 82.336 -16.271 53.437 1.00 0.00 C ATOM 1579 CG GLU B 48 82.801 -17.712 53.640 1.00 0.00 C ATOM 1580 CD GLU B 48 82.408 -18.181 55.041 1.00 0.00 C ATOM 1581 OE1 GLU B 48 82.461 -17.372 55.951 1.00 0.00 O ATOM 1582 OE2 GLU B 48 82.058 -19.339 55.180 1.00 0.00 O ATOM 0 H GLU B 48 84.659 -15.495 52.851 1.00 0.00 H new ATOM 0 HA GLU B 48 82.401 -16.542 51.295 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.796 -15.622 54.182 1.00 0.00 H new ATOM 0 HB3 GLU B 48 81.257 -16.204 53.578 1.00 0.00 H new ATOM 0 HG2 GLU B 48 82.351 -18.360 52.888 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.881 -17.778 53.512 1.00 0.00 H new ATOM 1589 N ALA B 49 80.915 -14.523 51.000 1.00 0.00 N ATOM 1590 CA ALA B 49 80.165 -13.269 50.664 1.00 0.00 C ATOM 1591 C ALA B 49 79.338 -12.807 51.872 1.00 0.00 C ATOM 1592 O ALA B 49 79.498 -11.708 52.359 1.00 0.00 O ATOM 1593 CB ALA B 49 79.222 -13.546 49.483 1.00 0.00 C ATOM 0 H ALA B 49 80.513 -15.379 50.618 1.00 0.00 H new ATOM 0 HA ALA B 49 80.877 -12.487 50.399 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.674 -12.637 49.234 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.805 -13.866 48.619 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.517 -14.331 49.756 1.00 0.00 H new ATOM 1599 N MET B 50 78.450 -13.646 52.346 1.00 0.00 N ATOM 1600 CA MET B 50 77.594 -13.276 53.518 1.00 0.00 C ATOM 1601 C MET B 50 76.865 -11.971 53.234 1.00 0.00 C ATOM 1602 O MET B 50 77.454 -10.909 53.176 1.00 0.00 O ATOM 1603 CB MET B 50 78.450 -13.132 54.775 1.00 0.00 C ATOM 1604 CG MET B 50 77.539 -12.932 55.992 1.00 0.00 C ATOM 1605 SD MET B 50 78.538 -12.799 57.497 1.00 0.00 S ATOM 1606 CE MET B 50 77.165 -12.559 58.652 1.00 0.00 C ATOM 0 H MET B 50 78.280 -14.578 51.969 1.00 0.00 H new ATOM 0 HA MET B 50 76.862 -14.067 53.682 1.00 0.00 H new ATOM 0 HB2 MET B 50 79.068 -14.020 54.911 1.00 0.00 H new ATOM 0 HB3 MET B 50 79.128 -12.285 54.671 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.939 -12.031 55.863 1.00 0.00 H new ATOM 0 HG3 MET B 50 76.845 -13.768 56.079 1.00 0.00 H new ATOM 0 HE1 MET B 50 77.555 -12.451 59.664 1.00 0.00 H new ATOM 0 HE2 MET B 50 76.613 -11.660 58.379 1.00 0.00 H new ATOM 0 HE3 MET B 50 76.499 -13.421 58.610 1.00 0.00 H new ATOM 1616 N HIS B 51 75.574 -12.043 53.058 1.00 0.00 N ATOM 1617 CA HIS B 51 74.795 -10.816 52.781 1.00 0.00 C ATOM 1618 C HIS B 51 74.377 -10.185 54.106 1.00 0.00 C ATOM 1619 O HIS B 51 73.840 -10.843 54.976 1.00 0.00 O ATOM 1620 CB HIS B 51 73.548 -11.175 51.977 1.00 0.00 C ATOM 1621 CG HIS B 51 72.787 -9.918 51.673 1.00 0.00 C ATOM 1622 ND1 HIS B 51 73.313 -8.920 50.863 1.00 0.00 N ATOM 1623 CD2 HIS B 51 71.548 -9.470 52.069 1.00 0.00 C ATOM 1624 CE1 HIS B 51 72.406 -7.931 50.799 1.00 0.00 C ATOM 1625 NE2 HIS B 51 71.316 -8.217 51.514 1.00 0.00 N ATOM 0 H HIS B 51 75.029 -12.904 53.095 1.00 0.00 H new ATOM 0 HA HIS B 51 75.403 -10.114 52.211 1.00 0.00 H new ATOM 0 HB2 HIS B 51 73.828 -11.679 51.052 1.00 0.00 H new ATOM 0 HB3 HIS B 51 72.923 -11.867 52.541 1.00 0.00 H new ATOM 0 HD2 HIS B 51 70.864 -10.007 52.710 1.00 0.00 H new ATOM 0 HE1 HIS B 51 72.542 -7.018 50.239 1.00 0.00 H new ATOM 0 HE2 HIS B 51 70.485 -7.637 51.629 1.00 0.00 H new ATOM 1633 N GLY B 52 74.612 -8.916 54.270 1.00 0.00 N ATOM 1634 CA GLY B 52 74.217 -8.267 55.543 1.00 0.00 C ATOM 1635 C GLY B 52 72.706 -8.068 55.529 1.00 0.00 C ATOM 1636 O GLY B 52 72.027 -8.513 54.630 1.00 0.00 O ATOM 0 H GLY B 52 75.056 -8.306 53.584 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.511 -8.885 56.392 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.725 -7.309 55.655 1.00 0.00 H new ATOM 1640 N GLN B 53 72.173 -7.404 56.508 1.00 0.00 N ATOM 1641 CA GLN B 53 70.703 -7.182 56.530 1.00 0.00 C ATOM 1642 C GLN B 53 69.983 -8.521 56.327 1.00 0.00 C ATOM 1643 O GLN B 53 69.289 -8.726 55.350 1.00 0.00 O ATOM 1644 CB GLN B 53 70.324 -6.211 55.410 1.00 0.00 C ATOM 1645 CG GLN B 53 68.865 -5.778 55.573 1.00 0.00 C ATOM 1646 CD GLN B 53 68.526 -4.730 54.509 1.00 0.00 C ATOM 1647 OE1 GLN B 53 69.394 -4.014 54.049 1.00 0.00 O ATOM 1648 NE2 GLN B 53 67.294 -4.611 54.094 1.00 0.00 N ATOM 0 H GLN B 53 72.687 -7.005 57.293 1.00 0.00 H new ATOM 0 HA GLN B 53 70.407 -6.759 57.490 1.00 0.00 H new ATOM 0 HB2 GLN B 53 70.977 -5.339 55.436 1.00 0.00 H new ATOM 0 HB3 GLN B 53 70.466 -6.687 54.440 1.00 0.00 H new ATOM 0 HG2 GLN B 53 68.205 -6.640 55.474 1.00 0.00 H new ATOM 0 HG3 GLN B 53 68.705 -5.366 56.569 1.00 0.00 H new ATOM 0 HE21 GLN B 53 66.566 -5.212 54.480 1.00 0.00 H new ATOM 0 HE22 GLN B 53 67.060 -3.917 53.384 1.00 0.00 H new ATOM 1657 N VAL B 54 70.146 -9.435 57.247 1.00 0.00 N ATOM 1658 CA VAL B 54 69.478 -10.765 57.128 1.00 0.00 C ATOM 1659 C VAL B 54 68.138 -10.720 57.876 1.00 0.00 C ATOM 1660 O VAL B 54 68.025 -10.131 58.935 1.00 0.00 O ATOM 1661 CB VAL B 54 70.380 -11.837 57.745 1.00 0.00 C ATOM 1662 CG1 VAL B 54 70.466 -11.632 59.260 1.00 0.00 C ATOM 1663 CG2 VAL B 54 69.804 -13.223 57.440 1.00 0.00 C ATOM 0 H VAL B 54 70.718 -9.316 58.083 1.00 0.00 H new ATOM 0 HA VAL B 54 69.301 -11.003 56.079 1.00 0.00 H new ATOM 0 HB VAL B 54 71.380 -11.759 57.319 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.109 -12.397 59.695 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.881 -10.646 59.471 1.00 0.00 H new ATOM 0 HG13 VAL B 54 69.469 -11.706 59.694 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.445 -13.988 57.878 1.00 0.00 H new ATOM 0 HG22 VAL B 54 68.803 -13.302 57.863 1.00 0.00 H new ATOM 0 HG23 VAL B 54 69.754 -13.367 56.361 1.00 0.00 H new ATOM 1673 N ASP B 55 67.122 -11.323 57.319 1.00 0.00 N ATOM 1674 CA ASP B 55 65.783 -11.313 57.976 1.00 0.00 C ATOM 1675 C ASP B 55 64.981 -12.533 57.522 1.00 0.00 C ATOM 1676 O ASP B 55 64.796 -12.678 56.324 1.00 0.00 O ATOM 1677 CB ASP B 55 65.035 -10.046 57.568 1.00 0.00 C ATOM 1678 CG ASP B 55 63.694 -9.992 58.298 1.00 0.00 C ATOM 1679 OD1 ASP B 55 63.383 -10.940 58.998 1.00 0.00 O ATOM 1680 OD2 ASP B 55 63.001 -9.000 58.146 1.00 0.00 O ATOM 1681 OXT ASP B 55 64.557 -13.295 58.374 1.00 0.00 O ATOM 0 H ASP B 55 67.163 -11.825 56.432 1.00 0.00 H new ATOM 0 HA ASP B 55 65.909 -11.340 59.058 1.00 0.00 H new ATOM 0 HB2 ASP B 55 65.630 -9.165 57.811 1.00 0.00 H new ATOM 0 HB3 ASP B 55 64.875 -10.036 56.490 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.328 -1.716 35.989 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.253 -21.159 39.657 1.00 0.00 ZN