USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -2.47 X(o=-5.4!,f=-4.9) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -2.43! C(o=-6.7!,f=-4.9!) USER MOD Single : A 1 PHE N :NH3+ 156:sc= 0.946 (180deg=0.342) USER MOD Single : A 7 LYS NZ :NH3+ -130:sc= 0.278 (180deg=-0.377) USER MOD Single : A 9 GLN : amide:sc= -0.0487 K(o=-0.049,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ -163:sc= -0.0126 (180deg=-0.289) USER MOD Single : A 15 TYR OH : rot -9:sc= 0.47 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -2.72 F(o=-3.9!,f=-2.7) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 154:sc= -0.334 (180deg=-1.63!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 72:sc= 0.312 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0233 (180deg=-0.273) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -2.03 K(o=-2,f=-4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.941 (180deg=0.41) USER MOD Single : B 7 LYS NZ :NH3+ -131:sc= 0.25 (180deg=-0.344) USER MOD Single : B 9 GLN : amide:sc= -0.0579 K(o=-0.058,f=-2!) USER MOD Single : B 14 LYS NZ :NH3+ -163:sc= -0.0215 (180deg=-0.284) USER MOD Single : B 15 TYR OH : rot -11:sc= 0.527 USER MOD Single : B 16 HIS :FLIP no HD1:sc= -2.89 F(o=-4.1!,f=-2.9) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.6!) USER MOD Single : B 22 MET CE :methyl 155:sc= -0.286 (180deg=-1.53!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.166 X(o=-0.17,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 71:sc= 0.33 USER MOD Single : B 42 LYS NZ :NH3+ 164:sc=-0.00416 (180deg=-0.259) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -1.77 K(o=-1.8,f=-3.9!) USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.472 -4.725 23.973 1.00 0.00 N ATOM 2 CA PHE A 1 95.209 -4.022 25.260 1.00 0.00 C ATOM 3 C PHE A 1 95.379 -2.518 25.056 1.00 0.00 C ATOM 4 O PHE A 1 96.479 -2.003 25.017 1.00 0.00 O ATOM 5 CB PHE A 1 96.191 -4.522 26.315 1.00 0.00 C ATOM 6 CG PHE A 1 96.305 -6.028 26.209 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.217 -6.832 26.565 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.490 -6.620 25.747 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.310 -8.225 26.464 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.582 -8.015 25.645 1.00 0.00 C ATOM 11 CZ PHE A 1 96.492 -8.817 26.005 1.00 0.00 C ATOM 0 H1 PHE A 1 95.758 -5.706 24.166 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.608 -4.724 23.394 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.233 -4.237 23.460 1.00 0.00 H new ATOM 0 HA PHE A 1 94.191 -4.224 25.594 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.167 -4.060 26.170 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.850 -4.240 27.311 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.303 -6.377 26.918 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.331 -6.001 25.470 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.469 -8.843 26.741 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.494 -8.471 25.289 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.564 -9.892 25.928 1.00 0.00 H new ATOM 23 N LEU A 2 94.289 -1.815 24.905 1.00 0.00 N ATOM 24 CA LEU A 2 94.358 -0.340 24.676 1.00 0.00 C ATOM 25 C LEU A 2 94.118 0.422 25.970 1.00 0.00 C ATOM 26 O LEU A 2 93.274 0.070 26.760 1.00 0.00 O ATOM 27 CB LEU A 2 93.287 0.066 23.662 1.00 0.00 C ATOM 28 CG LEU A 2 93.492 -0.683 22.340 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.393 -0.265 21.359 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.871 -0.346 21.747 1.00 0.00 C ATOM 0 H LEU A 2 93.345 -2.201 24.930 1.00 0.00 H new ATOM 0 HA LEU A 2 95.352 -0.097 24.301 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.297 -0.153 24.062 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.330 1.141 23.489 1.00 0.00 H new ATOM 0 HG LEU A 2 93.443 -1.757 22.519 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.529 -0.792 20.414 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.418 -0.515 21.777 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.449 0.810 21.186 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.005 -0.884 20.808 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.936 0.726 21.563 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.651 -0.641 22.449 1.00 0.00 H new ATOM 42 N ASP A 3 94.842 1.486 26.173 1.00 0.00 N ATOM 43 CA ASP A 3 94.640 2.300 27.400 1.00 0.00 C ATOM 44 C ASP A 3 93.197 2.801 27.408 1.00 0.00 C ATOM 45 O ASP A 3 92.547 2.834 28.433 1.00 0.00 O ATOM 46 CB ASP A 3 95.605 3.489 27.409 1.00 0.00 C ATOM 47 CG ASP A 3 97.034 2.989 27.631 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.183 1.875 28.108 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.955 3.729 27.329 1.00 0.00 O ATOM 0 H ASP A 3 95.566 1.827 25.540 1.00 0.00 H new ATOM 0 HA ASP A 3 94.834 1.695 28.285 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.541 4.030 26.465 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.328 4.189 28.197 1.00 0.00 H new ATOM 54 N GLY A 4 92.685 3.179 26.264 1.00 0.00 N ATOM 55 CA GLY A 4 91.272 3.663 26.196 1.00 0.00 C ATOM 56 C GLY A 4 90.370 2.700 26.975 1.00 0.00 C ATOM 57 O GLY A 4 89.245 3.015 27.307 1.00 0.00 O ATOM 0 H GLY A 4 93.184 3.173 25.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.199 4.667 26.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.946 3.725 25.158 1.00 0.00 H new ATOM 61 N ILE A 5 90.870 1.535 27.286 1.00 0.00 N ATOM 62 CA ILE A 5 90.067 0.551 28.063 1.00 0.00 C ATOM 63 C ILE A 5 89.702 1.179 29.412 1.00 0.00 C ATOM 64 O ILE A 5 88.637 0.949 29.949 1.00 0.00 O ATOM 65 CB ILE A 5 90.896 -0.728 28.263 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.907 -1.525 26.957 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.297 -1.586 29.384 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.964 -2.627 27.040 1.00 0.00 C ATOM 0 H ILE A 5 91.807 1.222 27.033 1.00 0.00 H new ATOM 0 HA ILE A 5 89.152 0.291 27.531 1.00 0.00 H new ATOM 0 HB ILE A 5 91.914 -0.454 28.542 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.925 -1.962 26.777 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.121 -0.864 26.117 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.896 -2.487 29.512 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.293 -1.018 30.314 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.276 -1.863 29.124 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.972 -3.195 26.110 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.945 -2.179 27.200 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.730 -3.294 27.870 1.00 0.00 H new ATOM 80 N ASP A 6 90.576 1.981 29.950 1.00 0.00 N ATOM 81 CA ASP A 6 90.286 2.644 31.252 1.00 0.00 C ATOM 82 C ASP A 6 89.029 3.502 31.095 1.00 0.00 C ATOM 83 O ASP A 6 88.188 3.563 31.970 1.00 0.00 O ATOM 84 CB ASP A 6 91.467 3.536 31.640 1.00 0.00 C ATOM 85 CG ASP A 6 92.665 2.660 32.011 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.450 1.508 32.347 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.777 3.158 31.957 1.00 0.00 O ATOM 0 H ASP A 6 91.483 2.207 29.543 1.00 0.00 H new ATOM 0 HA ASP A 6 90.130 1.894 32.028 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.727 4.195 30.811 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.194 4.174 32.481 1.00 0.00 H new ATOM 92 N LYS A 7 88.901 4.163 29.980 1.00 0.00 N ATOM 93 CA LYS A 7 87.708 5.021 29.740 1.00 0.00 C ATOM 94 C LYS A 7 86.448 4.151 29.759 1.00 0.00 C ATOM 95 O LYS A 7 85.422 4.537 30.285 1.00 0.00 O ATOM 96 CB LYS A 7 87.849 5.686 28.368 1.00 0.00 C ATOM 97 CG LYS A 7 86.669 6.625 28.114 1.00 0.00 C ATOM 98 CD LYS A 7 86.836 7.276 26.738 1.00 0.00 C ATOM 99 CE LYS A 7 85.717 8.294 26.511 1.00 0.00 C ATOM 100 NZ LYS A 7 84.402 7.593 26.482 1.00 0.00 N ATOM 0 H LYS A 7 89.578 4.146 29.217 1.00 0.00 H new ATOM 0 HA LYS A 7 87.632 5.783 30.515 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.784 6.244 28.320 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.892 4.925 27.589 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.731 6.071 28.157 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.623 7.390 28.889 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.807 7.767 26.673 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.811 6.514 25.959 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.725 9.041 27.305 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.879 8.824 25.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 83.870 7.887 25.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.557 6.565 26.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 83.860 7.837 27.335 1.00 0.00 H new ATOM 114 N ALA A 8 86.517 2.979 29.190 1.00 0.00 N ATOM 115 CA ALA A 8 85.327 2.081 29.173 1.00 0.00 C ATOM 116 C ALA A 8 84.902 1.768 30.609 1.00 0.00 C ATOM 117 O ALA A 8 83.729 1.667 30.911 1.00 0.00 O ATOM 118 CB ALA A 8 85.678 0.784 28.442 1.00 0.00 C ATOM 0 H ALA A 8 87.349 2.603 28.735 1.00 0.00 H new ATOM 0 HA ALA A 8 84.505 2.575 28.655 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.808 0.127 28.429 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.976 1.012 27.419 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.501 0.287 28.957 1.00 0.00 H new ATOM 124 N GLN A 9 85.843 1.606 31.501 1.00 0.00 N ATOM 125 CA GLN A 9 85.482 1.294 32.914 1.00 0.00 C ATOM 126 C GLN A 9 84.621 2.432 33.472 1.00 0.00 C ATOM 127 O GLN A 9 83.643 2.212 34.156 1.00 0.00 O ATOM 128 CB GLN A 9 86.762 1.184 33.751 1.00 0.00 C ATOM 129 CG GLN A 9 87.535 -0.078 33.363 1.00 0.00 C ATOM 130 CD GLN A 9 88.915 -0.049 34.022 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.411 1.005 34.371 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.561 -1.167 34.214 1.00 0.00 N ATOM 0 H GLN A 9 86.843 1.676 31.313 1.00 0.00 H new ATOM 0 HA GLN A 9 84.932 0.354 32.954 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.385 2.064 33.595 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.511 1.155 34.811 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.987 -0.966 33.679 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.638 -0.136 32.279 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.147 -2.052 33.922 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.480 -1.155 34.656 1.00 0.00 H new ATOM 141 N GLU A 10 84.985 3.651 33.180 1.00 0.00 N ATOM 142 CA GLU A 10 84.204 4.818 33.682 1.00 0.00 C ATOM 143 C GLU A 10 82.768 4.769 33.145 1.00 0.00 C ATOM 144 O GLU A 10 81.826 5.090 33.841 1.00 0.00 O ATOM 145 CB GLU A 10 84.879 6.112 33.220 1.00 0.00 C ATOM 146 CG GLU A 10 86.199 6.293 33.970 1.00 0.00 C ATOM 147 CD GLU A 10 86.885 7.570 33.484 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.403 8.147 32.523 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.882 7.946 34.077 1.00 0.00 O ATOM 0 H GLU A 10 85.797 3.890 32.611 1.00 0.00 H new ATOM 0 HA GLU A 10 84.173 4.784 34.771 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.060 6.077 32.146 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.223 6.963 33.405 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.016 6.351 35.043 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.847 5.432 33.803 1.00 0.00 H new ATOM 156 N GLU A 11 82.595 4.394 31.904 1.00 0.00 N ATOM 157 CA GLU A 11 81.221 4.350 31.307 1.00 0.00 C ATOM 158 C GLU A 11 80.623 2.948 31.442 1.00 0.00 C ATOM 159 O GLU A 11 79.555 2.671 30.935 1.00 0.00 O ATOM 160 CB GLU A 11 81.305 4.715 29.824 1.00 0.00 C ATOM 161 CG GLU A 11 81.645 6.199 29.680 1.00 0.00 C ATOM 162 CD GLU A 11 81.769 6.551 28.197 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.779 5.636 27.390 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.858 7.729 27.894 1.00 0.00 O ATOM 0 H GLU A 11 83.347 4.115 31.274 1.00 0.00 H new ATOM 0 HA GLU A 11 80.585 5.060 31.836 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.065 4.108 29.332 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.357 4.499 29.332 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.870 6.808 30.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.579 6.421 30.197 1.00 0.00 H new ATOM 171 N CYS A 12 81.294 2.058 32.119 1.00 0.00 N ATOM 172 CA CYS A 12 80.744 0.681 32.273 1.00 0.00 C ATOM 173 C CYS A 12 79.285 0.767 32.736 1.00 0.00 C ATOM 174 O CYS A 12 78.435 0.024 32.287 1.00 0.00 O ATOM 175 CB CYS A 12 81.569 -0.085 33.309 1.00 0.00 C ATOM 176 SG CYS A 12 80.937 -1.776 33.456 1.00 0.00 S ATOM 0 H CYS A 12 82.194 2.222 32.570 1.00 0.00 H new ATOM 0 HA CYS A 12 80.791 0.158 31.318 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.618 -0.102 33.013 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.518 0.419 34.274 1.00 0.00 H new ATOM 181 N GLU A 13 78.987 1.677 33.625 1.00 0.00 N ATOM 182 CA GLU A 13 77.583 1.816 34.110 1.00 0.00 C ATOM 183 C GLU A 13 76.664 2.155 32.935 1.00 0.00 C ATOM 184 O GLU A 13 75.557 1.663 32.838 1.00 0.00 O ATOM 185 CB GLU A 13 77.509 2.938 35.150 1.00 0.00 C ATOM 186 CG GLU A 13 78.218 2.498 36.432 1.00 0.00 C ATOM 187 CD GLU A 13 77.420 1.375 37.099 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.293 1.627 37.488 1.00 0.00 O ATOM 189 OE2 GLU A 13 77.953 0.284 37.211 1.00 0.00 O ATOM 0 H GLU A 13 79.655 2.330 34.036 1.00 0.00 H new ATOM 0 HA GLU A 13 77.264 0.877 34.562 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.974 3.842 34.758 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.468 3.182 35.363 1.00 0.00 H new ATOM 0 HG2 GLU A 13 79.227 2.155 36.202 1.00 0.00 H new ATOM 0 HG3 GLU A 13 78.316 3.343 37.114 1.00 0.00 H new ATOM 196 N LYS A 14 77.112 2.995 32.044 1.00 0.00 N ATOM 197 CA LYS A 14 76.265 3.375 30.879 1.00 0.00 C ATOM 198 C LYS A 14 75.930 2.129 30.055 1.00 0.00 C ATOM 199 O LYS A 14 74.825 1.977 29.571 1.00 0.00 O ATOM 200 CB LYS A 14 77.012 4.392 30.011 1.00 0.00 C ATOM 201 CG LYS A 14 76.099 4.862 28.876 1.00 0.00 C ATOM 202 CD LYS A 14 76.836 5.892 28.019 1.00 0.00 C ATOM 203 CE LYS A 14 75.919 6.366 26.890 1.00 0.00 C ATOM 204 NZ LYS A 14 75.705 5.254 25.923 1.00 0.00 N ATOM 0 H LYS A 14 78.031 3.436 32.073 1.00 0.00 H new ATOM 0 HA LYS A 14 75.338 3.823 31.236 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.325 5.243 30.616 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.917 3.942 29.602 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.797 4.013 28.263 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.188 5.299 29.285 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.143 6.739 28.633 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.744 5.453 27.605 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.964 6.696 27.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.362 7.223 26.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.336 5.637 25.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.608 4.770 25.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.022 4.577 26.318 1.00 0.00 H new ATOM 218 N TYR A 15 76.867 1.234 29.889 1.00 0.00 N ATOM 219 CA TYR A 15 76.584 0.003 29.092 1.00 0.00 C ATOM 220 C TYR A 15 75.928 -1.044 29.994 1.00 0.00 C ATOM 221 O TYR A 15 75.332 -1.992 29.526 1.00 0.00 O ATOM 222 CB TYR A 15 77.890 -0.561 28.534 1.00 0.00 C ATOM 223 CG TYR A 15 78.420 0.359 27.462 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.034 0.171 26.130 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.295 1.398 27.798 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.522 1.021 25.134 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.784 2.249 26.800 1.00 0.00 C ATOM 228 CZ TYR A 15 79.398 2.062 25.468 1.00 0.00 C ATOM 229 OH TYR A 15 79.880 2.899 24.484 1.00 0.00 O ATOM 0 H TYR A 15 77.812 1.300 30.268 1.00 0.00 H new ATOM 0 HA TYR A 15 75.915 0.252 28.268 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.624 -0.666 29.333 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.722 -1.556 28.123 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.359 -0.631 25.872 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.593 1.543 28.826 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.224 0.875 24.106 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.460 3.051 27.058 1.00 0.00 H new ATOM 0 HH TYR A 15 79.631 2.547 23.604 1.00 0.00 H new ATOM 239 N HIS A 16 76.023 -0.872 31.284 1.00 0.00 N ATOM 240 CA HIS A 16 75.392 -1.845 32.221 1.00 0.00 C ATOM 241 C HIS A 16 75.952 -3.249 31.979 1.00 0.00 C ATOM 242 O HIS A 16 77.143 -3.442 31.840 1.00 0.00 O ATOM 243 CB HIS A 16 73.875 -1.854 32.012 1.00 0.00 C ATOM 244 CG HIS A 16 73.374 -0.439 31.937 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.165 0.513 32.905 1.00 0.00 N flip ATOM 246 CD2 HIS A 16 73.017 0.158 30.735 1.00 0.00 C flip ATOM 247 CE1 HIS A 16 72.688 1.678 32.314 1.00 0.00 C flip ATOM 248 NE2 HIS A 16 72.616 1.413 31.009 1.00 0.00 N flip ATOM 0 H HIS A 16 76.512 -0.097 31.731 1.00 0.00 H new ATOM 0 HA HIS A 16 75.616 -1.545 33.245 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.626 -2.389 31.095 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.387 -2.382 32.831 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.054 -0.301 29.758 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.430 2.603 32.808 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.297 2.079 30.306 1.00 0.00 H new ATOM 257 N SER A 17 75.094 -4.235 31.941 1.00 0.00 N ATOM 258 CA SER A 17 75.563 -5.636 31.726 1.00 0.00 C ATOM 259 C SER A 17 75.715 -5.917 30.228 1.00 0.00 C ATOM 260 O SER A 17 76.091 -7.003 29.831 1.00 0.00 O ATOM 261 CB SER A 17 74.538 -6.607 32.316 1.00 0.00 C ATOM 262 OG SER A 17 74.357 -6.319 33.696 1.00 0.00 O ATOM 0 H SER A 17 74.085 -4.130 32.050 1.00 0.00 H new ATOM 0 HA SER A 17 76.528 -5.767 32.215 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.589 -6.518 31.787 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.879 -7.635 32.189 1.00 0.00 H new ATOM 0 HG SER A 17 73.700 -6.939 34.076 1.00 0.00 H new ATOM 268 N ASN A 18 75.418 -4.962 29.391 1.00 0.00 N ATOM 269 CA ASN A 18 75.540 -5.202 27.923 1.00 0.00 C ATOM 270 C ASN A 18 76.996 -5.031 27.486 1.00 0.00 C ATOM 271 O ASN A 18 77.352 -4.064 26.841 1.00 0.00 O ATOM 272 CB ASN A 18 74.671 -4.194 27.172 1.00 0.00 C ATOM 273 CG ASN A 18 73.197 -4.497 27.439 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.841 -5.614 27.758 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.319 -3.539 27.330 1.00 0.00 N ATOM 0 H ASN A 18 75.098 -4.031 29.656 1.00 0.00 H new ATOM 0 HA ASN A 18 75.212 -6.217 27.698 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.910 -3.180 27.494 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.876 -4.245 26.103 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.333 -3.727 27.513 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.618 -2.601 27.062 1.00 0.00 H new ATOM 282 N TRP A 19 77.839 -5.968 27.820 1.00 0.00 N ATOM 283 CA TRP A 19 79.266 -5.861 27.408 1.00 0.00 C ATOM 284 C TRP A 19 79.368 -6.059 25.895 1.00 0.00 C ATOM 285 O TRP A 19 80.263 -5.549 25.249 1.00 0.00 O ATOM 286 CB TRP A 19 80.095 -6.929 28.130 1.00 0.00 C ATOM 287 CG TRP A 19 79.590 -8.294 27.783 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.610 -8.949 28.447 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.024 -9.183 26.712 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.414 -10.182 27.851 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.261 -10.372 26.778 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.995 -9.075 25.698 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.453 -11.416 25.872 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.190 -10.126 24.785 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.420 -11.293 24.873 1.00 0.00 C ATOM 0 H TRP A 19 77.602 -6.801 28.359 1.00 0.00 H new ATOM 0 HA TRP A 19 79.651 -4.876 27.673 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.144 -6.838 27.848 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.040 -6.776 29.208 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.069 -8.571 29.302 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.727 -10.867 28.166 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.594 -8.179 25.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.857 -12.314 25.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.938 -10.033 24.011 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.574 -12.097 24.168 1.00 0.00 H new ATOM 306 N ARG A 20 78.459 -6.804 25.322 1.00 0.00 N ATOM 307 CA ARG A 20 78.504 -7.042 23.850 1.00 0.00 C ATOM 308 C ARG A 20 78.398 -5.710 23.104 1.00 0.00 C ATOM 309 O ARG A 20 79.066 -5.486 22.114 1.00 0.00 O ATOM 310 CB ARG A 20 77.329 -7.934 23.449 1.00 0.00 C ATOM 311 CG ARG A 20 77.558 -9.345 23.987 1.00 0.00 C ATOM 312 CD ARG A 20 76.385 -10.243 23.591 1.00 0.00 C ATOM 313 NE ARG A 20 76.630 -11.621 24.100 1.00 0.00 N ATOM 314 CZ ARG A 20 75.654 -12.487 24.148 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.449 -12.138 23.789 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.883 -13.703 24.561 1.00 0.00 N ATOM 0 H ARG A 20 77.687 -7.258 25.811 1.00 0.00 H new ATOM 0 HA ARG A 20 79.446 -7.526 23.593 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.398 -7.528 23.845 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.230 -7.958 22.364 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.489 -9.750 23.590 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.659 -9.319 25.072 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.455 -9.850 24.003 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.272 -10.257 22.507 1.00 0.00 H new ATOM 0 HE ARG A 20 77.563 -11.889 24.412 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.267 -11.186 23.470 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.689 -12.817 23.828 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.824 -13.976 24.846 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.122 -14.381 24.599 1.00 0.00 H new ATOM 330 N ALA A 21 77.559 -4.826 23.569 1.00 0.00 N ATOM 331 CA ALA A 21 77.408 -3.512 22.883 1.00 0.00 C ATOM 332 C ALA A 21 78.701 -2.712 23.036 1.00 0.00 C ATOM 333 O ALA A 21 79.188 -2.110 22.099 1.00 0.00 O ATOM 334 CB ALA A 21 76.253 -2.737 23.523 1.00 0.00 C ATOM 0 H ALA A 21 76.972 -4.956 24.393 1.00 0.00 H new ATOM 0 HA ALA A 21 77.199 -3.672 21.825 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.140 -1.775 23.024 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.331 -3.309 23.422 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.465 -2.574 24.580 1.00 0.00 H new ATOM 340 N MET A 22 79.261 -2.709 24.212 1.00 0.00 N ATOM 341 CA MET A 22 80.526 -1.961 24.441 1.00 0.00 C ATOM 342 C MET A 22 81.633 -2.537 23.554 1.00 0.00 C ATOM 343 O MET A 22 82.438 -1.813 23.000 1.00 0.00 O ATOM 344 CB MET A 22 80.917 -2.091 25.915 1.00 0.00 C ATOM 345 CG MET A 22 82.221 -1.331 26.183 1.00 0.00 C ATOM 346 SD MET A 22 82.640 -1.447 27.943 1.00 0.00 S ATOM 347 CE MET A 22 82.823 -3.247 28.028 1.00 0.00 C ATOM 0 H MET A 22 78.894 -3.196 25.030 1.00 0.00 H new ATOM 0 HA MET A 22 80.386 -0.909 24.190 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.121 -1.697 26.547 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.040 -3.142 26.175 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.027 -1.747 25.579 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.111 -0.286 25.893 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.500 -3.506 28.842 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.849 -3.704 28.206 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.230 -3.616 27.087 1.00 0.00 H new ATOM 357 N ALA A 23 81.684 -3.832 23.416 1.00 0.00 N ATOM 358 CA ALA A 23 82.745 -4.450 22.571 1.00 0.00 C ATOM 359 C ALA A 23 82.650 -3.903 21.143 1.00 0.00 C ATOM 360 O ALA A 23 83.646 -3.614 20.510 1.00 0.00 O ATOM 361 CB ALA A 23 82.549 -5.968 22.547 1.00 0.00 C ATOM 0 H ALA A 23 81.037 -4.490 23.851 1.00 0.00 H new ATOM 0 HA ALA A 23 83.725 -4.211 22.985 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.323 -6.425 21.930 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.616 -6.360 23.562 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.569 -6.202 22.132 1.00 0.00 H new ATOM 367 N SER A 24 81.457 -3.770 20.629 1.00 0.00 N ATOM 368 CA SER A 24 81.288 -3.252 19.240 1.00 0.00 C ATOM 369 C SER A 24 81.755 -1.795 19.151 1.00 0.00 C ATOM 370 O SER A 24 82.358 -1.387 18.178 1.00 0.00 O ATOM 371 CB SER A 24 79.816 -3.345 18.838 1.00 0.00 C ATOM 372 OG SER A 24 79.438 -4.714 18.754 1.00 0.00 O ATOM 0 H SER A 24 80.589 -3.999 21.113 1.00 0.00 H new ATOM 0 HA SER A 24 81.893 -3.855 18.563 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.194 -2.828 19.569 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.657 -2.852 17.879 1.00 0.00 H new ATOM 0 HG SER A 24 78.494 -4.778 18.498 1.00 0.00 H new ATOM 378 N ASP A 25 81.468 -1.001 20.146 1.00 0.00 N ATOM 379 CA ASP A 25 81.882 0.433 20.097 1.00 0.00 C ATOM 380 C ASP A 25 83.404 0.547 20.206 1.00 0.00 C ATOM 381 O ASP A 25 84.023 1.347 19.533 1.00 0.00 O ATOM 382 CB ASP A 25 81.232 1.191 21.256 1.00 0.00 C ATOM 383 CG ASP A 25 79.727 1.311 21.010 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.320 1.171 19.868 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.006 1.538 21.967 1.00 0.00 O ATOM 0 H ASP A 25 80.966 -1.281 20.989 1.00 0.00 H new ATOM 0 HA ASP A 25 81.560 0.863 19.148 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.417 0.669 22.195 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.676 2.182 21.350 1.00 0.00 H new ATOM 390 N PHE A 26 84.017 -0.245 21.042 1.00 0.00 N ATOM 391 CA PHE A 26 85.505 -0.187 21.186 1.00 0.00 C ATOM 392 C PHE A 26 86.146 -1.248 20.282 1.00 0.00 C ATOM 393 O PHE A 26 87.353 -1.348 20.189 1.00 0.00 O ATOM 394 CB PHE A 26 85.884 -0.441 22.651 1.00 0.00 C ATOM 395 CG PHE A 26 85.513 0.769 23.482 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.230 0.872 24.033 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.451 1.790 23.706 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.882 1.989 24.801 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.102 2.907 24.477 1.00 0.00 C ATOM 400 CZ PHE A 26 84.816 3.006 25.023 1.00 0.00 C ATOM 0 H PHE A 26 83.553 -0.933 21.635 1.00 0.00 H new ATOM 0 HA PHE A 26 85.867 0.797 20.890 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.367 -1.325 23.024 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.953 -0.639 22.733 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.507 0.087 23.865 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.442 1.714 23.284 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.891 2.066 25.223 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.824 3.691 24.650 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.546 3.868 25.615 1.00 0.00 H new ATOM 410 N ASN A 27 85.346 -2.028 19.600 1.00 0.00 N ATOM 411 CA ASN A 27 85.908 -3.068 18.686 1.00 0.00 C ATOM 412 C ASN A 27 86.931 -3.928 19.432 1.00 0.00 C ATOM 413 O ASN A 27 88.035 -4.136 18.968 1.00 0.00 O ATOM 414 CB ASN A 27 86.581 -2.388 17.492 1.00 0.00 C ATOM 415 CG ASN A 27 85.509 -1.848 16.543 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.287 -2.398 15.483 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.824 -0.792 16.886 1.00 0.00 N ATOM 0 H ASN A 27 84.327 -1.989 19.637 1.00 0.00 H new ATOM 0 HA ASN A 27 85.099 -3.708 18.334 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.221 -1.575 17.836 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.221 -3.098 16.969 1.00 0.00 H new ATOM 0 HD21 ASN A 27 84.102 -0.428 16.264 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.010 -0.330 17.776 1.00 0.00 H new ATOM 424 N LEU A 28 86.567 -4.428 20.588 1.00 0.00 N ATOM 425 CA LEU A 28 87.503 -5.285 21.389 1.00 0.00 C ATOM 426 C LEU A 28 86.903 -6.694 21.533 1.00 0.00 C ATOM 427 O LEU A 28 85.699 -6.854 21.525 1.00 0.00 O ATOM 428 CB LEU A 28 87.660 -4.676 22.782 1.00 0.00 C ATOM 429 CG LEU A 28 88.476 -3.377 22.706 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.283 -2.581 24.003 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.974 -3.692 22.511 1.00 0.00 C ATOM 0 H LEU A 28 85.653 -4.279 21.016 1.00 0.00 H new ATOM 0 HA LEU A 28 88.470 -5.342 20.889 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.679 -4.473 23.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.155 -5.387 23.444 1.00 0.00 H new ATOM 0 HG LEU A 28 88.129 -2.790 21.856 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.861 -1.658 23.953 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.227 -2.342 24.129 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.624 -3.177 24.850 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.538 -2.761 22.459 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.333 -4.287 23.351 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.111 -4.251 21.585 1.00 0.00 H new ATOM 443 N PRO A 29 87.726 -7.714 21.671 1.00 0.00 N ATOM 444 CA PRO A 29 87.232 -9.116 21.823 1.00 0.00 C ATOM 445 C PRO A 29 86.654 -9.382 23.230 1.00 0.00 C ATOM 446 O PRO A 29 87.041 -8.743 24.189 1.00 0.00 O ATOM 447 CB PRO A 29 88.487 -9.965 21.582 1.00 0.00 C ATOM 448 CG PRO A 29 89.622 -9.094 22.016 1.00 0.00 C ATOM 449 CD PRO A 29 89.202 -7.655 21.692 1.00 0.00 C ATOM 0 HA PRO A 29 86.416 -9.340 21.136 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.456 -10.891 22.157 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.581 -10.244 20.533 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.818 -9.212 23.082 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.540 -9.360 21.491 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.563 -6.954 22.444 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.603 -7.328 20.733 1.00 0.00 H new ATOM 457 N PRO A 30 85.745 -10.326 23.359 1.00 0.00 N ATOM 458 CA PRO A 30 85.128 -10.679 24.674 1.00 0.00 C ATOM 459 C PRO A 30 86.149 -10.726 25.819 1.00 0.00 C ATOM 460 O PRO A 30 85.810 -10.547 26.972 1.00 0.00 O ATOM 461 CB PRO A 30 84.550 -12.078 24.427 1.00 0.00 C ATOM 462 CG PRO A 30 84.210 -12.109 22.970 1.00 0.00 C ATOM 463 CD PRO A 30 85.195 -11.160 22.268 1.00 0.00 C ATOM 0 HA PRO A 30 84.392 -9.937 24.983 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.273 -12.853 24.679 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.667 -12.254 25.041 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.297 -13.121 22.573 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.181 -11.790 22.806 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.982 -11.713 21.755 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.692 -10.551 21.517 1.00 0.00 H new ATOM 471 N VAL A 31 87.387 -10.994 25.514 1.00 0.00 N ATOM 472 CA VAL A 31 88.417 -11.086 26.589 1.00 0.00 C ATOM 473 C VAL A 31 88.509 -9.756 27.340 1.00 0.00 C ATOM 474 O VAL A 31 88.472 -9.715 28.554 1.00 0.00 O ATOM 475 CB VAL A 31 89.778 -11.410 25.958 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.889 -11.303 27.011 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.748 -12.830 25.388 1.00 0.00 C ATOM 0 H VAL A 31 87.732 -11.154 24.567 1.00 0.00 H new ATOM 0 HA VAL A 31 88.137 -11.873 27.290 1.00 0.00 H new ATOM 0 HB VAL A 31 89.979 -10.697 25.159 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.850 -11.535 26.551 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.914 -10.290 27.412 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.694 -12.008 27.819 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.714 -13.062 24.939 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.540 -13.539 26.189 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.969 -12.901 24.629 1.00 0.00 H new ATOM 487 N VAL A 32 88.634 -8.668 26.633 1.00 0.00 N ATOM 488 CA VAL A 32 88.735 -7.346 27.313 1.00 0.00 C ATOM 489 C VAL A 32 87.354 -6.897 27.801 1.00 0.00 C ATOM 490 O VAL A 32 87.212 -6.369 28.885 1.00 0.00 O ATOM 491 CB VAL A 32 89.288 -6.316 26.332 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.391 -4.956 27.021 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.675 -6.756 25.858 1.00 0.00 C ATOM 0 H VAL A 32 88.671 -8.636 25.614 1.00 0.00 H new ATOM 0 HA VAL A 32 89.402 -7.435 28.171 1.00 0.00 H new ATOM 0 HB VAL A 32 88.619 -6.237 25.475 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.786 -4.222 26.319 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.402 -4.642 27.356 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.058 -5.033 27.880 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.070 -6.021 25.157 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.344 -6.837 26.715 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.600 -7.725 25.364 1.00 0.00 H new ATOM 503 N ALA A 33 86.334 -7.095 27.008 1.00 0.00 N ATOM 504 CA ALA A 33 84.971 -6.664 27.433 1.00 0.00 C ATOM 505 C ALA A 33 84.585 -7.389 28.723 1.00 0.00 C ATOM 506 O ALA A 33 84.215 -6.778 29.706 1.00 0.00 O ATOM 507 CB ALA A 33 83.970 -6.997 26.324 1.00 0.00 C ATOM 0 H ALA A 33 86.386 -7.534 26.089 1.00 0.00 H new ATOM 0 HA ALA A 33 84.963 -5.589 27.615 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.971 -6.684 26.629 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.251 -6.473 25.411 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.973 -8.072 26.141 1.00 0.00 H new ATOM 513 N LYS A 34 84.693 -8.685 28.734 1.00 0.00 N ATOM 514 CA LYS A 34 84.361 -9.454 29.966 1.00 0.00 C ATOM 515 C LYS A 34 85.269 -9.001 31.110 1.00 0.00 C ATOM 516 O LYS A 34 84.846 -8.875 32.242 1.00 0.00 O ATOM 517 CB LYS A 34 84.569 -10.944 29.698 1.00 0.00 C ATOM 518 CG LYS A 34 83.489 -11.440 28.736 1.00 0.00 C ATOM 519 CD LYS A 34 83.692 -12.932 28.464 1.00 0.00 C ATOM 520 CE LYS A 34 82.531 -13.463 27.620 1.00 0.00 C ATOM 521 NZ LYS A 34 82.914 -14.772 27.021 1.00 0.00 N ATOM 0 H LYS A 34 84.998 -9.249 27.941 1.00 0.00 H new ATOM 0 HA LYS A 34 83.322 -9.277 30.243 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.558 -11.114 29.272 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.524 -11.503 30.633 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.501 -11.269 29.163 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.534 -10.880 27.802 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.636 -13.092 27.943 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.751 -13.479 29.405 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.641 -13.580 28.238 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.282 -12.750 26.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.126 -15.135 26.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.752 -14.646 26.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.131 -15.450 27.779 1.00 0.00 H new ATOM 535 N GLU A 35 86.518 -8.765 30.823 1.00 0.00 N ATOM 536 CA GLU A 35 87.465 -8.332 31.890 1.00 0.00 C ATOM 537 C GLU A 35 87.010 -6.995 32.479 1.00 0.00 C ATOM 538 O GLU A 35 87.066 -6.787 33.674 1.00 0.00 O ATOM 539 CB GLU A 35 88.863 -8.169 31.291 1.00 0.00 C ATOM 540 CG GLU A 35 89.883 -7.905 32.407 1.00 0.00 C ATOM 541 CD GLU A 35 89.799 -6.444 32.862 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.465 -5.605 32.042 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.075 -6.190 34.023 1.00 0.00 O ATOM 0 H GLU A 35 86.926 -8.853 29.892 1.00 0.00 H new ATOM 0 HA GLU A 35 87.485 -9.085 32.678 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.139 -9.068 30.740 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.869 -7.344 30.579 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.691 -8.568 33.250 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.889 -8.126 32.051 1.00 0.00 H new ATOM 550 N ILE A 36 86.554 -6.088 31.659 1.00 0.00 N ATOM 551 CA ILE A 36 86.096 -4.778 32.200 1.00 0.00 C ATOM 552 C ILE A 36 84.947 -5.048 33.170 1.00 0.00 C ATOM 553 O ILE A 36 84.867 -4.474 34.239 1.00 0.00 O ATOM 554 CB ILE A 36 85.630 -3.886 31.045 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.842 -3.466 30.210 1.00 0.00 C ATOM 556 CG2 ILE A 36 84.950 -2.636 31.601 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.364 -2.852 28.892 1.00 0.00 C ATOM 0 H ILE A 36 86.479 -6.196 30.647 1.00 0.00 H new ATOM 0 HA ILE A 36 86.905 -4.266 32.721 1.00 0.00 H new ATOM 0 HB ILE A 36 84.925 -4.439 30.425 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.445 -2.745 30.762 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.478 -4.329 30.012 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.620 -2.004 30.776 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.089 -2.927 32.202 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.656 -2.084 32.222 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.226 -2.552 28.296 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.779 -3.587 28.339 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.746 -1.979 29.100 1.00 0.00 H new ATOM 569 N VAL A 37 84.084 -5.959 32.817 1.00 0.00 N ATOM 570 CA VAL A 37 82.958 -6.332 33.716 1.00 0.00 C ATOM 571 C VAL A 37 83.542 -7.016 34.952 1.00 0.00 C ATOM 572 O VAL A 37 83.098 -6.814 36.064 1.00 0.00 O ATOM 573 CB VAL A 37 82.029 -7.298 32.971 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.007 -7.891 33.944 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.294 -6.538 31.864 1.00 0.00 C ATOM 0 H VAL A 37 84.112 -6.467 31.933 1.00 0.00 H new ATOM 0 HA VAL A 37 82.390 -5.451 34.016 1.00 0.00 H new ATOM 0 HB VAL A 37 82.620 -8.104 32.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.350 -8.576 33.409 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.528 -8.431 34.735 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.414 -7.088 34.383 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.632 -7.221 31.331 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.706 -5.732 32.304 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.020 -6.119 31.167 1.00 0.00 H new ATOM 585 N ALA A 38 84.536 -7.837 34.749 1.00 0.00 N ATOM 586 CA ALA A 38 85.172 -8.561 35.884 1.00 0.00 C ATOM 587 C ALA A 38 85.757 -7.570 36.899 1.00 0.00 C ATOM 588 O ALA A 38 86.047 -7.930 38.022 1.00 0.00 O ATOM 589 CB ALA A 38 86.297 -9.450 35.347 1.00 0.00 C ATOM 0 H ALA A 38 84.939 -8.039 33.834 1.00 0.00 H new ATOM 0 HA ALA A 38 84.415 -9.167 36.381 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.766 -9.983 36.174 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.886 -10.169 34.639 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.041 -8.832 34.845 1.00 0.00 H new ATOM 595 N SER A 39 85.959 -6.332 36.518 1.00 0.00 N ATOM 596 CA SER A 39 86.551 -5.342 37.475 1.00 0.00 C ATOM 597 C SER A 39 85.444 -4.520 38.137 1.00 0.00 C ATOM 598 O SER A 39 85.524 -4.186 39.302 1.00 0.00 O ATOM 599 CB SER A 39 87.488 -4.405 36.712 1.00 0.00 C ATOM 600 OG SER A 39 88.325 -5.172 35.858 1.00 0.00 O ATOM 0 H SER A 39 85.741 -5.965 35.592 1.00 0.00 H new ATOM 0 HA SER A 39 87.105 -5.878 38.246 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.909 -3.690 36.127 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.093 -3.828 37.411 1.00 0.00 H new ATOM 0 HG SER A 39 87.799 -5.515 35.106 1.00 0.00 H new ATOM 606 N CYS A 40 84.410 -4.195 37.414 1.00 0.00 N ATOM 607 CA CYS A 40 83.307 -3.399 38.025 1.00 0.00 C ATOM 608 C CYS A 40 82.732 -4.167 39.217 1.00 0.00 C ATOM 609 O CYS A 40 82.444 -5.342 39.124 1.00 0.00 O ATOM 610 CB CYS A 40 82.211 -3.173 36.986 1.00 0.00 C ATOM 611 SG CYS A 40 81.051 -1.925 37.598 1.00 0.00 S ATOM 0 H CYS A 40 84.280 -4.443 36.433 1.00 0.00 H new ATOM 0 HA CYS A 40 83.691 -2.436 38.362 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.650 -2.846 36.043 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.686 -4.107 36.786 1.00 0.00 H new ATOM 616 N ASP A 41 82.571 -3.516 40.338 1.00 0.00 N ATOM 617 CA ASP A 41 82.024 -4.213 41.543 1.00 0.00 C ATOM 618 C ASP A 41 80.518 -4.450 41.402 1.00 0.00 C ATOM 619 O ASP A 41 79.995 -5.437 41.880 1.00 0.00 O ATOM 620 CB ASP A 41 82.286 -3.364 42.789 1.00 0.00 C ATOM 621 CG ASP A 41 83.779 -3.380 43.116 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.422 -4.373 42.817 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.256 -2.400 43.667 1.00 0.00 O ATOM 0 H ASP A 41 82.794 -2.530 40.473 1.00 0.00 H new ATOM 0 HA ASP A 41 82.522 -5.178 41.636 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.951 -2.340 42.621 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.715 -3.752 43.632 1.00 0.00 H new ATOM 628 N LYS A 42 79.806 -3.552 40.778 1.00 0.00 N ATOM 629 CA LYS A 42 78.331 -3.747 40.651 1.00 0.00 C ATOM 630 C LYS A 42 78.032 -4.899 39.690 1.00 0.00 C ATOM 631 O LYS A 42 77.140 -5.691 39.918 1.00 0.00 O ATOM 632 CB LYS A 42 77.690 -2.468 40.107 1.00 0.00 C ATOM 633 CG LYS A 42 77.900 -1.321 41.096 1.00 0.00 C ATOM 634 CD LYS A 42 77.254 -0.050 40.540 1.00 0.00 C ATOM 635 CE LYS A 42 77.488 1.111 41.509 1.00 0.00 C ATOM 636 NZ LYS A 42 78.927 1.498 41.478 1.00 0.00 N ATOM 0 H LYS A 42 80.175 -2.701 40.354 1.00 0.00 H new ATOM 0 HA LYS A 42 77.922 -3.980 41.634 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.128 -2.213 39.142 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.624 -2.627 39.941 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.462 -1.573 42.062 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.965 -1.159 41.262 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.676 0.187 39.564 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.185 -0.207 40.396 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.865 1.962 41.232 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.200 0.820 42.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.041 2.443 41.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.484 0.809 42.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.261 1.513 40.493 1.00 0.00 H new ATOM 650 N CYS A 43 78.766 -5.001 38.614 1.00 0.00 N ATOM 651 CA CYS A 43 78.515 -6.105 37.641 1.00 0.00 C ATOM 652 C CYS A 43 79.300 -7.356 38.051 1.00 0.00 C ATOM 653 O CYS A 43 79.249 -8.371 37.384 1.00 0.00 O ATOM 654 CB CYS A 43 78.937 -5.669 36.238 1.00 0.00 C ATOM 655 SG CYS A 43 78.135 -4.098 35.827 1.00 0.00 S ATOM 0 H CYS A 43 79.527 -4.369 38.367 1.00 0.00 H new ATOM 0 HA CYS A 43 77.450 -6.337 37.639 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.020 -5.560 36.190 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.661 -6.432 35.510 1.00 0.00 H new ATOM 660 N GLN A 44 80.032 -7.298 39.130 1.00 0.00 N ATOM 661 CA GLN A 44 80.817 -8.495 39.550 1.00 0.00 C ATOM 662 C GLN A 44 79.865 -9.586 40.037 1.00 0.00 C ATOM 663 O GLN A 44 79.828 -10.677 39.503 1.00 0.00 O ATOM 664 CB GLN A 44 81.772 -8.114 40.691 1.00 0.00 C ATOM 665 CG GLN A 44 82.669 -9.305 41.046 1.00 0.00 C ATOM 666 CD GLN A 44 83.556 -9.640 39.849 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.043 -8.668 39.128 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 83.803 -10.795 39.561 1.00 0.00 N flip ATOM 0 H GLN A 44 80.121 -6.481 39.735 1.00 0.00 H new ATOM 0 HA GLN A 44 81.392 -8.862 38.700 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.385 -7.263 40.394 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.201 -7.805 41.566 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.284 -9.067 41.914 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.059 -10.168 41.315 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.422 -11.554 40.126 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.392 -11.005 38.755 1.00 0.00 H new ATOM 677 N LEU A 45 79.100 -9.303 41.052 1.00 0.00 N ATOM 678 CA LEU A 45 78.149 -10.322 41.585 1.00 0.00 C ATOM 679 C LEU A 45 76.830 -10.247 40.813 1.00 0.00 C ATOM 680 O LEU A 45 76.412 -9.193 40.378 1.00 0.00 O ATOM 681 CB LEU A 45 77.885 -10.045 43.065 1.00 0.00 C ATOM 682 CG LEU A 45 79.203 -10.093 43.852 1.00 0.00 C ATOM 683 CD1 LEU A 45 78.939 -9.663 45.298 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.784 -11.520 43.837 1.00 0.00 C ATOM 0 H LEU A 45 79.091 -8.407 41.539 1.00 0.00 H new ATOM 0 HA LEU A 45 78.582 -11.316 41.469 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.417 -9.068 43.183 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.187 -10.782 43.463 1.00 0.00 H new ATOM 0 HG LEU A 45 79.922 -9.418 43.388 1.00 0.00 H new ATOM 0 HD11 LEU A 45 79.871 -9.695 45.863 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.542 -8.648 45.309 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.216 -10.340 45.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.718 -11.539 44.399 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.072 -12.207 44.294 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.973 -11.825 42.808 1.00 0.00 H new ATOM 696 N LYS A 46 76.166 -11.359 40.652 1.00 0.00 N ATOM 697 CA LYS A 46 74.868 -11.361 39.923 1.00 0.00 C ATOM 698 C LYS A 46 73.774 -10.862 40.872 1.00 0.00 C ATOM 699 O LYS A 46 73.986 -10.733 42.061 1.00 0.00 O ATOM 700 CB LYS A 46 74.540 -12.785 39.461 1.00 0.00 C ATOM 701 CG LYS A 46 75.640 -13.312 38.525 1.00 0.00 C ATOM 702 CD LYS A 46 75.609 -12.577 37.176 1.00 0.00 C ATOM 703 CE LYS A 46 76.435 -13.363 36.151 1.00 0.00 C ATOM 704 NZ LYS A 46 76.433 -12.641 34.847 1.00 0.00 N ATOM 0 H LYS A 46 76.469 -12.270 40.996 1.00 0.00 H new ATOM 0 HA LYS A 46 74.929 -10.711 39.050 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.444 -13.442 40.326 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.580 -12.795 38.945 1.00 0.00 H new ATOM 0 HG2 LYS A 46 76.616 -13.181 38.993 1.00 0.00 H new ATOM 0 HG3 LYS A 46 75.505 -14.382 38.364 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.581 -12.473 36.829 1.00 0.00 H new ATOM 0 HD3 LYS A 46 76.011 -11.570 37.288 1.00 0.00 H new ATOM 0 HE2 LYS A 46 77.457 -13.485 36.509 1.00 0.00 H new ATOM 0 HE3 LYS A 46 76.020 -14.363 36.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 76.994 -13.176 34.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 75.456 -12.547 34.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.848 -11.696 34.973 1.00 0.00 H new ATOM 718 N GLY A 47 72.612 -10.567 40.359 1.00 0.00 N ATOM 719 CA GLY A 47 71.513 -10.060 41.233 1.00 0.00 C ATOM 720 C GLY A 47 71.119 -11.109 42.285 1.00 0.00 C ATOM 721 O GLY A 47 70.075 -11.012 42.900 1.00 0.00 O ATOM 0 H GLY A 47 72.374 -10.655 39.371 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.832 -9.143 41.729 1.00 0.00 H new ATOM 0 HA3 GLY A 47 70.646 -9.807 40.623 1.00 0.00 H new ATOM 725 N GLU A 48 71.937 -12.104 42.511 1.00 0.00 N ATOM 726 CA GLU A 48 71.592 -13.136 43.534 1.00 0.00 C ATOM 727 C GLU A 48 72.886 -13.750 44.076 1.00 0.00 C ATOM 728 O GLU A 48 73.330 -14.789 43.633 1.00 0.00 O ATOM 729 CB GLU A 48 70.728 -14.219 42.885 1.00 0.00 C ATOM 730 CG GLU A 48 70.299 -15.240 43.941 1.00 0.00 C ATOM 731 CD GLU A 48 69.420 -16.309 43.288 1.00 0.00 C ATOM 732 OE1 GLU A 48 69.011 -16.102 42.157 1.00 0.00 O ATOM 733 OE2 GLU A 48 69.157 -17.308 43.936 1.00 0.00 O ATOM 0 H GLU A 48 72.827 -12.247 42.033 1.00 0.00 H new ATOM 0 HA GLU A 48 71.037 -12.682 44.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.849 -13.768 42.423 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.286 -14.715 42.091 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.176 -15.702 44.394 1.00 0.00 H new ATOM 0 HG3 GLU A 48 69.752 -14.743 44.742 1.00 0.00 H new ATOM 740 N ALA A 49 73.500 -13.099 45.028 1.00 0.00 N ATOM 741 CA ALA A 49 74.775 -13.621 45.602 1.00 0.00 C ATOM 742 C ALA A 49 74.492 -14.744 46.605 1.00 0.00 C ATOM 743 O ALA A 49 75.396 -15.402 47.077 1.00 0.00 O ATOM 744 CB ALA A 49 75.511 -12.485 46.312 1.00 0.00 C ATOM 0 H ALA A 49 73.171 -12.223 45.435 1.00 0.00 H new ATOM 0 HA ALA A 49 75.389 -14.017 44.793 1.00 0.00 H new ATOM 0 HB1 ALA A 49 76.443 -12.862 46.733 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.730 -11.691 45.598 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.885 -12.090 47.112 1.00 0.00 H new ATOM 750 N MET A 50 73.253 -14.964 46.947 1.00 0.00 N ATOM 751 CA MET A 50 72.940 -16.039 47.932 1.00 0.00 C ATOM 752 C MET A 50 73.109 -17.414 47.283 1.00 0.00 C ATOM 753 O MET A 50 72.728 -17.635 46.151 1.00 0.00 O ATOM 754 CB MET A 50 71.502 -15.878 48.431 1.00 0.00 C ATOM 755 CG MET A 50 71.180 -16.997 49.425 1.00 0.00 C ATOM 756 SD MET A 50 69.596 -16.654 50.234 1.00 0.00 S ATOM 757 CE MET A 50 70.253 -15.700 51.624 1.00 0.00 C ATOM 0 H MET A 50 72.447 -14.450 46.590 1.00 0.00 H new ATOM 0 HA MET A 50 73.627 -15.958 48.774 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.378 -14.906 48.908 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.808 -15.912 47.591 1.00 0.00 H new ATOM 0 HG2 MET A 50 71.135 -17.955 48.907 1.00 0.00 H new ATOM 0 HG3 MET A 50 71.971 -17.074 50.170 1.00 0.00 H new ATOM 0 HE1 MET A 50 69.432 -15.381 52.266 1.00 0.00 H new ATOM 0 HE2 MET A 50 70.942 -16.320 52.197 1.00 0.00 H new ATOM 0 HE3 MET A 50 70.781 -14.824 51.247 1.00 0.00 H new ATOM 767 N HIS A 51 73.686 -18.339 48.003 1.00 0.00 N ATOM 768 CA HIS A 51 73.897 -19.708 47.455 1.00 0.00 C ATOM 769 C HIS A 51 73.932 -20.710 48.610 1.00 0.00 C ATOM 770 O HIS A 51 73.960 -20.337 49.766 1.00 0.00 O ATOM 771 CB HIS A 51 75.222 -19.758 46.693 1.00 0.00 C ATOM 772 CG HIS A 51 75.344 -21.082 45.992 1.00 0.00 C ATOM 773 ND1 HIS A 51 76.010 -22.162 46.555 1.00 0.00 N ATOM 774 CD2 HIS A 51 74.884 -21.519 44.773 1.00 0.00 C ATOM 775 CE1 HIS A 51 75.934 -23.186 45.685 1.00 0.00 C ATOM 776 NE2 HIS A 51 75.260 -22.844 44.585 1.00 0.00 N ATOM 0 H HIS A 51 74.023 -18.202 48.956 1.00 0.00 H new ATOM 0 HA HIS A 51 73.083 -19.960 46.775 1.00 0.00 H new ATOM 0 HB2 HIS A 51 75.269 -18.945 45.969 1.00 0.00 H new ATOM 0 HB3 HIS A 51 76.056 -19.620 47.381 1.00 0.00 H new ATOM 0 HD2 HIS A 51 74.318 -20.925 44.070 1.00 0.00 H new ATOM 0 HE1 HIS A 51 76.364 -24.162 45.856 1.00 0.00 H new ATOM 0 HE2 HIS A 51 75.062 -23.432 43.775 1.00 0.00 H new ATOM 785 N GLY A 52 73.930 -21.980 48.309 1.00 0.00 N ATOM 786 CA GLY A 52 73.962 -23.006 49.391 1.00 0.00 C ATOM 787 C GLY A 52 75.049 -22.646 50.408 1.00 0.00 C ATOM 788 O GLY A 52 76.039 -22.024 50.079 1.00 0.00 O ATOM 0 H GLY A 52 73.908 -22.352 47.360 1.00 0.00 H new ATOM 0 HA2 GLY A 52 72.991 -23.059 49.884 1.00 0.00 H new ATOM 0 HA3 GLY A 52 74.158 -23.991 48.967 1.00 0.00 H new ATOM 792 N GLN A 53 74.869 -23.027 51.645 1.00 0.00 N ATOM 793 CA GLN A 53 75.887 -22.699 52.683 1.00 0.00 C ATOM 794 C GLN A 53 77.080 -23.646 52.571 1.00 0.00 C ATOM 795 O GLN A 53 76.945 -24.798 52.210 1.00 0.00 O ATOM 796 CB GLN A 53 75.265 -22.836 54.075 1.00 0.00 C ATOM 797 CG GLN A 53 74.277 -21.694 54.309 1.00 0.00 C ATOM 798 CD GLN A 53 73.526 -21.929 55.621 1.00 0.00 C ATOM 799 OE1 GLN A 53 74.091 -21.813 56.691 1.00 0.00 O ATOM 800 NE2 GLN A 53 72.264 -22.259 55.584 1.00 0.00 N ATOM 0 H GLN A 53 74.061 -23.551 51.980 1.00 0.00 H new ATOM 0 HA GLN A 53 76.227 -21.675 52.529 1.00 0.00 H new ATOM 0 HB2 GLN A 53 74.755 -23.795 54.164 1.00 0.00 H new ATOM 0 HB3 GLN A 53 76.045 -22.818 54.836 1.00 0.00 H new ATOM 0 HG2 GLN A 53 74.807 -20.742 54.347 1.00 0.00 H new ATOM 0 HG3 GLN A 53 73.572 -21.633 53.480 1.00 0.00 H new ATOM 0 HE21 GLN A 53 71.788 -22.357 54.687 1.00 0.00 H new ATOM 0 HE22 GLN A 53 71.753 -22.419 56.452 1.00 0.00 H new ATOM 809 N VAL A 54 78.252 -23.164 52.892 1.00 0.00 N ATOM 810 CA VAL A 54 79.473 -24.019 52.824 1.00 0.00 C ATOM 811 C VAL A 54 79.767 -24.578 54.219 1.00 0.00 C ATOM 812 O VAL A 54 80.550 -25.491 54.382 1.00 0.00 O ATOM 813 CB VAL A 54 80.656 -23.166 52.349 1.00 0.00 C ATOM 814 CG1 VAL A 54 81.771 -24.072 51.821 1.00 0.00 C ATOM 815 CG2 VAL A 54 80.186 -22.234 51.229 1.00 0.00 C ATOM 0 H VAL A 54 78.416 -22.206 53.201 1.00 0.00 H new ATOM 0 HA VAL A 54 79.317 -24.842 52.127 1.00 0.00 H new ATOM 0 HB VAL A 54 81.037 -22.579 53.184 1.00 0.00 H new ATOM 0 HG11 VAL A 54 82.608 -23.460 51.485 1.00 0.00 H new ATOM 0 HG12 VAL A 54 82.105 -24.739 52.616 1.00 0.00 H new ATOM 0 HG13 VAL A 54 81.395 -24.663 50.986 1.00 0.00 H new ATOM 0 HG21 VAL A 54 81.023 -21.625 50.887 1.00 0.00 H new ATOM 0 HG22 VAL A 54 79.806 -22.827 50.398 1.00 0.00 H new ATOM 0 HG23 VAL A 54 79.394 -21.585 51.604 1.00 0.00 H new ATOM 825 N ASP A 55 79.129 -24.034 55.226 1.00 0.00 N ATOM 826 CA ASP A 55 79.348 -24.517 56.624 1.00 0.00 C ATOM 827 C ASP A 55 78.038 -24.400 57.406 1.00 0.00 C ATOM 828 O ASP A 55 77.186 -25.255 57.229 1.00 0.00 O ATOM 829 CB ASP A 55 80.419 -23.659 57.305 1.00 0.00 C ATOM 830 CG ASP A 55 81.791 -23.969 56.705 1.00 0.00 C ATOM 831 OD1 ASP A 55 81.962 -25.066 56.200 1.00 0.00 O ATOM 832 OD2 ASP A 55 82.651 -23.105 56.762 1.00 0.00 O ATOM 833 OXT ASP A 55 77.908 -23.454 58.166 1.00 0.00 O ATOM 0 H ASP A 55 78.460 -23.269 55.138 1.00 0.00 H new ATOM 0 HA ASP A 55 79.677 -25.556 56.602 1.00 0.00 H new ATOM 0 HB2 ASP A 55 80.187 -22.602 57.177 1.00 0.00 H new ATOM 0 HB3 ASP A 55 80.428 -23.856 58.377 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.911 -11.530 22.504 1.00 0.00 N ATOM 840 CA PHE B 1 94.941 -12.620 22.804 1.00 0.00 C ATOM 841 C PHE B 1 95.426 -13.910 22.148 1.00 0.00 C ATOM 842 O PHE B 1 95.275 -14.115 20.961 1.00 0.00 O ATOM 843 CB PHE B 1 93.566 -12.238 22.262 1.00 0.00 C ATOM 844 CG PHE B 1 93.290 -10.786 22.593 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.075 -10.402 23.923 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.258 -9.822 21.574 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.826 -9.059 24.233 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.010 -8.478 21.887 1.00 0.00 C ATOM 849 CZ PHE B 1 92.794 -8.098 23.217 1.00 0.00 C ATOM 0 H1 PHE B 1 95.414 -10.617 22.490 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.649 -11.511 23.236 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.349 -11.700 21.576 1.00 0.00 H new ATOM 0 HA PHE B 1 94.867 -12.769 23.881 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.531 -12.391 21.183 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.798 -12.876 22.700 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.101 -11.142 24.709 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.424 -10.115 20.548 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.658 -8.765 25.259 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.986 -7.736 21.102 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.603 -7.063 23.459 1.00 0.00 H new ATOM 861 N LEU B 2 96.029 -14.773 22.919 1.00 0.00 N ATOM 862 CA LEU B 2 96.561 -16.054 22.361 1.00 0.00 C ATOM 863 C LEU B 2 95.596 -17.200 22.618 1.00 0.00 C ATOM 864 O LEU B 2 95.016 -17.311 23.672 1.00 0.00 O ATOM 865 CB LEU B 2 97.901 -16.383 23.024 1.00 0.00 C ATOM 866 CG LEU B 2 98.904 -15.250 22.791 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.221 -15.602 23.490 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.153 -15.060 21.284 1.00 0.00 C ATOM 0 H LEU B 2 96.178 -14.647 23.920 1.00 0.00 H new ATOM 0 HA LEU B 2 96.688 -15.930 21.286 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.757 -16.536 24.094 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.295 -17.315 22.619 1.00 0.00 H new ATOM 0 HG LEU B 2 98.502 -14.322 23.197 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.943 -14.801 23.330 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.044 -15.724 24.559 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.614 -16.532 23.079 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.868 -14.251 21.132 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.553 -15.982 20.862 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.214 -14.812 20.789 1.00 0.00 H new ATOM 880 N ASP B 3 95.446 -18.072 21.662 1.00 0.00 N ATOM 881 CA ASP B 3 94.542 -19.236 21.853 1.00 0.00 C ATOM 882 C ASP B 3 95.054 -20.046 23.043 1.00 0.00 C ATOM 883 O ASP B 3 94.288 -20.537 23.847 1.00 0.00 O ATOM 884 CB ASP B 3 94.541 -20.107 20.593 1.00 0.00 C ATOM 885 CG ASP B 3 93.822 -19.367 19.464 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.086 -18.442 19.764 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.011 -19.744 18.319 1.00 0.00 O ATOM 0 H ASP B 3 95.912 -18.028 20.756 1.00 0.00 H new ATOM 0 HA ASP B 3 93.524 -18.895 22.039 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.564 -20.339 20.297 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.045 -21.056 20.794 1.00 0.00 H new ATOM 892 N GLY B 4 96.349 -20.174 23.168 1.00 0.00 N ATOM 893 CA GLY B 4 96.922 -20.934 24.320 1.00 0.00 C ATOM 894 C GLY B 4 96.230 -20.491 25.613 1.00 0.00 C ATOM 895 O GLY B 4 96.308 -21.150 26.632 1.00 0.00 O ATOM 0 H GLY B 4 97.036 -19.785 22.522 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.784 -22.005 24.169 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.995 -20.757 24.389 1.00 0.00 H new ATOM 899 N ILE B 5 95.535 -19.388 25.566 1.00 0.00 N ATOM 900 CA ILE B 5 94.811 -18.900 26.771 1.00 0.00 C ATOM 901 C ILE B 5 93.799 -19.967 27.196 1.00 0.00 C ATOM 902 O ILE B 5 93.542 -20.166 28.367 1.00 0.00 O ATOM 903 CB ILE B 5 94.102 -17.578 26.429 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.135 -16.448 26.395 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.027 -17.258 27.473 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.511 -15.201 25.762 1.00 0.00 C ATOM 0 H ILE B 5 95.438 -18.800 24.738 1.00 0.00 H new ATOM 0 HA ILE B 5 95.503 -18.719 27.593 1.00 0.00 H new ATOM 0 HB ILE B 5 93.623 -17.675 25.455 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.476 -16.223 27.405 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.010 -16.759 25.824 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.537 -16.320 27.214 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.289 -18.060 27.493 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.490 -17.167 28.456 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.247 -14.398 25.739 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.191 -15.430 24.745 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.649 -14.886 26.351 1.00 0.00 H new ATOM 918 N ASP B 6 93.235 -20.664 26.250 1.00 0.00 N ATOM 919 CA ASP B 6 92.251 -21.730 26.588 1.00 0.00 C ATOM 920 C ASP B 6 92.946 -22.773 27.468 1.00 0.00 C ATOM 921 O ASP B 6 92.381 -23.285 28.414 1.00 0.00 O ATOM 922 CB ASP B 6 91.761 -22.393 25.299 1.00 0.00 C ATOM 923 CG ASP B 6 90.879 -21.413 24.522 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.365 -20.493 25.135 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.735 -21.600 23.325 1.00 0.00 O ATOM 0 H ASP B 6 93.414 -20.541 25.253 1.00 0.00 H new ATOM 0 HA ASP B 6 91.400 -21.303 27.118 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.611 -22.696 24.688 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.199 -23.297 25.534 1.00 0.00 H new ATOM 930 N LYS B 7 94.171 -23.086 27.156 1.00 0.00 N ATOM 931 CA LYS B 7 94.926 -24.090 27.960 1.00 0.00 C ATOM 932 C LYS B 7 95.060 -23.588 29.400 1.00 0.00 C ATOM 933 O LYS B 7 94.946 -24.343 30.347 1.00 0.00 O ATOM 934 CB LYS B 7 96.317 -24.264 27.344 1.00 0.00 C ATOM 935 CG LYS B 7 97.101 -25.335 28.107 1.00 0.00 C ATOM 936 CD LYS B 7 98.484 -25.486 27.470 1.00 0.00 C ATOM 937 CE LYS B 7 99.243 -26.625 28.152 1.00 0.00 C ATOM 938 NZ LYS B 7 99.480 -26.279 29.582 1.00 0.00 N ATOM 0 H LYS B 7 94.687 -22.687 26.372 1.00 0.00 H new ATOM 0 HA LYS B 7 94.399 -25.044 27.961 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.226 -24.547 26.295 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.857 -23.318 27.373 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.198 -25.055 29.156 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.567 -26.285 28.078 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.384 -25.690 26.404 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.043 -24.555 27.566 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.672 -27.551 28.081 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.193 -26.797 27.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.480 -26.441 29.817 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.245 -25.278 29.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.881 -26.876 30.187 1.00 0.00 H new ATOM 952 N ALA B 8 95.303 -22.318 29.572 1.00 0.00 N ATOM 953 CA ALA B 8 95.448 -21.761 30.946 1.00 0.00 C ATOM 954 C ALA B 8 94.157 -21.995 31.735 1.00 0.00 C ATOM 955 O ALA B 8 94.184 -22.270 32.918 1.00 0.00 O ATOM 956 CB ALA B 8 95.735 -20.259 30.856 1.00 0.00 C ATOM 0 H ALA B 8 95.408 -21.640 28.817 1.00 0.00 H new ATOM 0 HA ALA B 8 96.273 -22.258 31.456 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.842 -19.848 31.860 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.657 -20.098 30.298 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.910 -19.761 30.346 1.00 0.00 H new ATOM 962 N GLN B 9 93.024 -21.888 31.093 1.00 0.00 N ATOM 963 CA GLN B 9 91.737 -22.106 31.815 1.00 0.00 C ATOM 964 C GLN B 9 91.718 -23.529 32.383 1.00 0.00 C ATOM 965 O GLN B 9 91.306 -23.760 33.502 1.00 0.00 O ATOM 966 CB GLN B 9 90.574 -21.949 30.829 1.00 0.00 C ATOM 967 CG GLN B 9 90.429 -20.484 30.413 1.00 0.00 C ATOM 968 CD GLN B 9 89.438 -20.389 29.251 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.218 -21.354 28.546 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.822 -19.261 29.022 1.00 0.00 N ATOM 0 H GLN B 9 92.934 -21.660 30.103 1.00 0.00 H new ATOM 0 HA GLN B 9 91.639 -21.380 32.622 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.747 -22.569 29.949 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.649 -22.298 31.288 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.079 -19.887 31.255 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.397 -20.080 30.116 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.006 -18.450 29.613 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.157 -19.190 28.252 1.00 0.00 H new ATOM 979 N GLU B 10 92.165 -24.484 31.613 1.00 0.00 N ATOM 980 CA GLU B 10 92.181 -25.899 32.088 1.00 0.00 C ATOM 981 C GLU B 10 93.073 -26.035 33.327 1.00 0.00 C ATOM 982 O GLU B 10 92.760 -26.760 34.250 1.00 0.00 O ATOM 983 CB GLU B 10 92.722 -26.795 30.974 1.00 0.00 C ATOM 984 CG GLU B 10 91.698 -26.873 29.838 1.00 0.00 C ATOM 985 CD GLU B 10 92.252 -27.752 28.716 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.412 -28.120 28.798 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.511 -28.036 27.791 1.00 0.00 O ATOM 0 H GLU B 10 92.523 -24.344 30.668 1.00 0.00 H new ATOM 0 HA GLU B 10 91.166 -26.199 32.350 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.666 -26.399 30.600 1.00 0.00 H new ATOM 0 HB3 GLU B 10 92.927 -27.793 31.362 1.00 0.00 H new ATOM 0 HG2 GLU B 10 90.759 -27.285 30.208 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.481 -25.874 29.459 1.00 0.00 H new ATOM 994 N GLU B 11 94.193 -25.362 33.345 1.00 0.00 N ATOM 995 CA GLU B 11 95.124 -25.467 34.515 1.00 0.00 C ATOM 996 C GLU B 11 94.843 -24.352 35.520 1.00 0.00 C ATOM 997 O GLU B 11 95.552 -24.195 36.494 1.00 0.00 O ATOM 998 CB GLU B 11 96.567 -25.344 34.025 1.00 0.00 C ATOM 999 CG GLU B 11 96.948 -26.593 33.232 1.00 0.00 C ATOM 1000 CD GLU B 11 98.377 -26.449 32.707 1.00 0.00 C ATOM 1001 OE1 GLU B 11 98.918 -25.361 32.813 1.00 0.00 O ATOM 1002 OE2 GLU B 11 98.904 -27.426 32.203 1.00 0.00 O ATOM 0 H GLU B 11 94.507 -24.741 32.599 1.00 0.00 H new ATOM 0 HA GLU B 11 94.972 -26.431 35.000 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.675 -24.457 33.400 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.240 -25.220 34.873 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.869 -27.477 33.865 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.257 -26.734 32.401 1.00 0.00 H new ATOM 1009 N CYS B 12 93.821 -23.572 35.305 1.00 0.00 N ATOM 1010 CA CYS B 12 93.519 -22.474 36.267 1.00 0.00 C ATOM 1011 C CYS B 12 93.517 -23.036 37.692 1.00 0.00 C ATOM 1012 O CYS B 12 94.009 -22.417 38.614 1.00 0.00 O ATOM 1013 CB CYS B 12 92.149 -21.874 35.948 1.00 0.00 C ATOM 1014 SG CYS B 12 91.811 -20.506 37.085 1.00 0.00 S ATOM 0 H CYS B 12 93.185 -23.645 34.511 1.00 0.00 H new ATOM 0 HA CYS B 12 94.278 -21.697 36.184 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.126 -21.519 34.918 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.376 -22.637 36.039 1.00 0.00 H new ATOM 1019 N GLU B 13 92.972 -24.209 37.879 1.00 0.00 N ATOM 1020 CA GLU B 13 92.946 -24.815 39.242 1.00 0.00 C ATOM 1021 C GLU B 13 94.377 -24.996 39.758 1.00 0.00 C ATOM 1022 O GLU B 13 94.660 -24.778 40.919 1.00 0.00 O ATOM 1023 CB GLU B 13 92.250 -26.178 39.188 1.00 0.00 C ATOM 1024 CG GLU B 13 90.754 -25.988 38.927 1.00 0.00 C ATOM 1025 CD GLU B 13 90.101 -25.336 40.150 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.110 -25.953 41.202 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.601 -24.232 40.011 1.00 0.00 O ATOM 0 H GLU B 13 92.543 -24.774 37.146 1.00 0.00 H new ATOM 0 HA GLU B 13 92.400 -24.154 39.915 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.691 -26.790 38.401 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.400 -26.710 40.127 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.604 -25.364 38.046 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.285 -26.950 38.720 1.00 0.00 H new ATOM 1034 N LYS B 14 95.277 -25.403 38.906 1.00 0.00 N ATOM 1035 CA LYS B 14 96.687 -25.611 39.344 1.00 0.00 C ATOM 1036 C LYS B 14 97.265 -24.294 39.866 1.00 0.00 C ATOM 1037 O LYS B 14 97.988 -24.270 40.842 1.00 0.00 O ATOM 1038 CB LYS B 14 97.522 -26.113 38.162 1.00 0.00 C ATOM 1039 CG LYS B 14 98.943 -26.431 38.636 1.00 0.00 C ATOM 1040 CD LYS B 14 99.770 -26.952 37.459 1.00 0.00 C ATOM 1041 CE LYS B 14 101.190 -27.273 37.932 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.900 -26.011 38.282 1.00 0.00 N ATOM 0 H LYS B 14 95.096 -25.601 37.922 1.00 0.00 H new ATOM 0 HA LYS B 14 96.712 -26.353 40.143 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.063 -27.003 37.732 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.550 -25.358 37.377 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.407 -25.537 39.053 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.914 -27.176 39.432 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.304 -27.845 37.041 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.800 -26.207 36.664 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.154 -27.934 38.798 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.733 -27.802 37.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.924 -26.189 38.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.702 -25.290 37.560 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.570 -25.673 39.209 1.00 0.00 H new ATOM 1056 N TYR B 15 96.955 -23.197 39.230 1.00 0.00 N ATOM 1057 CA TYR B 15 97.495 -21.888 39.701 1.00 0.00 C ATOM 1058 C TYR B 15 96.602 -21.342 40.815 1.00 0.00 C ATOM 1059 O TYR B 15 96.993 -20.471 41.565 1.00 0.00 O ATOM 1060 CB TYR B 15 97.520 -20.892 38.539 1.00 0.00 C ATOM 1061 CG TYR B 15 98.583 -21.295 37.546 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.891 -20.815 37.692 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.266 -22.149 36.483 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.880 -21.188 36.775 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.255 -22.522 35.565 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.562 -22.041 35.711 1.00 0.00 C ATOM 1067 OH TYR B 15 101.539 -22.410 34.809 1.00 0.00 O ATOM 0 H TYR B 15 96.354 -23.150 38.408 1.00 0.00 H new ATOM 0 HA TYR B 15 98.508 -22.030 40.078 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.546 -20.863 38.051 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.720 -19.888 38.913 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.136 -20.157 38.513 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.258 -22.520 36.371 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.888 -20.818 36.888 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.010 -23.180 34.745 1.00 0.00 H new ATOM 0 HH TYR B 15 102.337 -21.859 34.948 1.00 0.00 H new ATOM 1077 N HIS B 16 95.410 -21.857 40.935 1.00 0.00 N ATOM 1078 CA HIS B 16 94.492 -21.383 42.010 1.00 0.00 C ATOM 1079 C HIS B 16 94.240 -19.880 41.864 1.00 0.00 C ATOM 1080 O HIS B 16 93.984 -19.383 40.785 1.00 0.00 O ATOM 1081 CB HIS B 16 95.107 -21.671 43.381 1.00 0.00 C ATOM 1082 CG HIS B 16 95.643 -23.076 43.403 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.017 -24.295 43.504 1.00 0.00 N flip ATOM 1084 CD2 HIS B 16 97.000 -23.354 43.308 1.00 0.00 C flip ATOM 1085 CE1 HIS B 16 95.967 -25.309 43.471 1.00 0.00 C flip ATOM 1086 NE2 HIS B 16 97.144 -24.691 43.352 1.00 0.00 N flip ATOM 0 H HIS B 16 95.030 -22.588 40.333 1.00 0.00 H new ATOM 0 HA HIS B 16 93.543 -21.912 41.921 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.908 -20.961 43.589 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.357 -21.544 44.162 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.795 -22.629 43.216 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.790 -26.373 43.529 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.042 -25.173 43.301 1.00 0.00 H new ATOM 1095 N SER B 17 94.296 -19.156 42.951 1.00 0.00 N ATOM 1096 CA SER B 17 94.043 -17.686 42.893 1.00 0.00 C ATOM 1097 C SER B 17 95.330 -16.942 42.531 1.00 0.00 C ATOM 1098 O SER B 17 95.345 -15.731 42.427 1.00 0.00 O ATOM 1099 CB SER B 17 93.556 -17.204 44.260 1.00 0.00 C ATOM 1100 OG SER B 17 92.386 -17.925 44.623 1.00 0.00 O ATOM 0 H SER B 17 94.507 -19.521 43.880 1.00 0.00 H new ATOM 0 HA SER B 17 93.288 -17.486 42.133 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.334 -17.351 45.009 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.343 -16.136 44.227 1.00 0.00 H new ATOM 0 HG SER B 17 92.072 -17.619 45.500 1.00 0.00 H new ATOM 1106 N ASN B 18 96.412 -17.646 42.350 1.00 0.00 N ATOM 1107 CA ASN B 18 97.691 -16.961 42.009 1.00 0.00 C ATOM 1108 C ASN B 18 97.730 -16.644 40.512 1.00 0.00 C ATOM 1109 O ASN B 18 98.452 -17.263 39.755 1.00 0.00 O ATOM 1110 CB ASN B 18 98.861 -17.881 42.359 1.00 0.00 C ATOM 1111 CG ASN B 18 98.957 -18.026 43.878 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.510 -17.168 44.613 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.523 -19.088 44.381 1.00 0.00 N ATOM 0 H ASN B 18 96.467 -18.662 42.423 1.00 0.00 H new ATOM 0 HA ASN B 18 97.764 -16.032 42.575 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.720 -18.858 41.898 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.790 -17.472 41.962 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.591 -19.199 45.393 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.898 -19.807 43.763 1.00 0.00 H new ATOM 1120 N TRP B 19 96.968 -15.678 40.079 1.00 0.00 N ATOM 1121 CA TRP B 19 96.976 -15.321 38.634 1.00 0.00 C ATOM 1122 C TRP B 19 98.314 -14.663 38.288 1.00 0.00 C ATOM 1123 O TRP B 19 98.782 -14.734 37.168 1.00 0.00 O ATOM 1124 CB TRP B 19 95.829 -14.352 38.336 1.00 0.00 C ATOM 1125 CG TRP B 19 95.985 -13.106 39.149 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.490 -12.928 40.395 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.659 -11.861 38.795 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.820 -11.658 40.830 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.540 -10.961 39.880 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.357 -11.429 37.651 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.092 -9.681 39.833 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.913 -10.141 37.600 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.781 -9.268 38.690 1.00 0.00 C ATOM 0 H TRP B 19 96.342 -15.122 40.662 1.00 0.00 H new ATOM 0 HA TRP B 19 96.845 -16.221 38.033 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.818 -14.104 37.275 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.874 -14.826 38.562 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.929 -13.659 40.958 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.563 -11.281 41.742 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.465 -12.093 36.807 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.987 -9.013 40.675 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.445 -9.820 36.717 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.211 -8.278 38.646 1.00 0.00 H new ATOM 1144 N ARG B 20 98.933 -14.022 39.242 1.00 0.00 N ATOM 1145 CA ARG B 20 100.240 -13.354 38.973 1.00 0.00 C ATOM 1146 C ARG B 20 101.269 -14.389 38.517 1.00 0.00 C ATOM 1147 O ARG B 20 102.058 -14.144 37.626 1.00 0.00 O ATOM 1148 CB ARG B 20 100.736 -12.688 40.256 1.00 0.00 C ATOM 1149 CG ARG B 20 99.849 -11.487 40.578 1.00 0.00 C ATOM 1150 CD ARG B 20 100.338 -10.814 41.861 1.00 0.00 C ATOM 1151 NE ARG B 20 99.482 -9.630 42.156 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.511 -9.074 43.338 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.265 -9.576 44.279 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.784 -8.018 43.581 1.00 0.00 N ATOM 0 H ARG B 20 98.590 -13.932 40.198 1.00 0.00 H new ATOM 0 HA ARG B 20 100.108 -12.607 38.190 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.716 -13.401 41.080 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.771 -12.368 40.136 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.870 -10.776 39.752 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.814 -11.808 40.696 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.301 -11.519 42.691 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.378 -10.506 41.750 1.00 0.00 H new ATOM 0 HE ARG B 20 98.871 -9.252 41.432 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.832 -10.403 44.091 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.287 -9.141 45.201 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.193 -7.626 42.848 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.807 -7.584 44.504 1.00 0.00 H new ATOM 1168 N ALA B 21 101.270 -15.543 39.123 1.00 0.00 N ATOM 1169 CA ALA B 21 102.252 -16.590 38.724 1.00 0.00 C ATOM 1170 C ALA B 21 101.931 -17.065 37.308 1.00 0.00 C ATOM 1171 O ALA B 21 102.804 -17.219 36.478 1.00 0.00 O ATOM 1172 CB ALA B 21 102.159 -17.769 39.697 1.00 0.00 C ATOM 0 H ALA B 21 100.635 -15.807 39.876 1.00 0.00 H new ATOM 0 HA ALA B 21 103.261 -16.180 38.750 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.876 -18.537 39.408 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.383 -17.426 40.707 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.152 -18.185 39.670 1.00 0.00 H new ATOM 1178 N MET B 22 100.679 -17.293 37.028 1.00 0.00 N ATOM 1179 CA MET B 22 100.282 -17.754 35.667 1.00 0.00 C ATOM 1180 C MET B 22 100.669 -16.695 34.631 1.00 0.00 C ATOM 1181 O MET B 22 101.122 -17.008 33.548 1.00 0.00 O ATOM 1182 CB MET B 22 98.767 -17.977 35.642 1.00 0.00 C ATOM 1183 CG MET B 22 98.325 -18.453 34.254 1.00 0.00 C ATOM 1184 SD MET B 22 96.540 -18.767 34.258 1.00 0.00 S ATOM 1185 CE MET B 22 95.997 -17.086 34.655 1.00 0.00 C ATOM 0 H MET B 22 99.908 -17.179 37.687 1.00 0.00 H new ATOM 0 HA MET B 22 100.794 -18.686 35.427 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.488 -18.716 36.394 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.252 -17.051 35.898 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.570 -17.700 33.505 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.863 -19.361 33.981 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.983 -16.934 34.286 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.015 -16.944 35.736 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.666 -16.367 34.183 1.00 0.00 H new ATOM 1195 N ALA B 23 100.488 -15.442 34.952 1.00 0.00 N ATOM 1196 CA ALA B 23 100.837 -14.366 33.982 1.00 0.00 C ATOM 1197 C ALA B 23 102.320 -14.467 33.612 1.00 0.00 C ATOM 1198 O ALA B 23 102.699 -14.308 32.469 1.00 0.00 O ATOM 1199 CB ALA B 23 100.566 -13.001 34.620 1.00 0.00 C ATOM 0 H ALA B 23 100.114 -15.118 35.844 1.00 0.00 H new ATOM 0 HA ALA B 23 100.231 -14.479 33.083 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.820 -12.212 33.913 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.511 -12.926 34.884 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.173 -12.892 35.519 1.00 0.00 H new ATOM 1205 N SER B 24 103.163 -14.724 34.575 1.00 0.00 N ATOM 1206 CA SER B 24 104.623 -14.829 34.287 1.00 0.00 C ATOM 1207 C SER B 24 104.906 -16.042 33.393 1.00 0.00 C ATOM 1208 O SER B 24 105.739 -15.989 32.510 1.00 0.00 O ATOM 1209 CB SER B 24 105.396 -14.970 35.599 1.00 0.00 C ATOM 1210 OG SER B 24 105.268 -13.769 36.349 1.00 0.00 O ATOM 0 H SER B 24 102.903 -14.866 35.551 1.00 0.00 H new ATOM 0 HA SER B 24 104.944 -13.926 33.767 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.012 -15.814 36.172 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.447 -15.175 35.395 1.00 0.00 H new ATOM 0 HG SER B 24 105.761 -13.856 37.192 1.00 0.00 H new ATOM 1216 N ASP B 25 104.239 -17.139 33.625 1.00 0.00 N ATOM 1217 CA ASP B 25 104.499 -18.353 32.796 1.00 0.00 C ATOM 1218 C ASP B 25 104.002 -18.131 31.367 1.00 0.00 C ATOM 1219 O ASP B 25 104.642 -18.525 30.412 1.00 0.00 O ATOM 1220 CB ASP B 25 103.775 -19.556 33.402 1.00 0.00 C ATOM 1221 CG ASP B 25 104.451 -19.948 34.716 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.595 -19.570 34.908 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.816 -20.626 35.507 1.00 0.00 O ATOM 0 H ASP B 25 103.528 -17.249 34.349 1.00 0.00 H new ATOM 0 HA ASP B 25 105.572 -18.542 32.777 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.727 -19.313 33.578 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.795 -20.395 32.706 1.00 0.00 H new ATOM 1228 N PHE B 26 102.870 -17.502 31.210 1.00 0.00 N ATOM 1229 CA PHE B 26 102.333 -17.250 29.836 1.00 0.00 C ATOM 1230 C PHE B 26 102.752 -15.848 29.373 1.00 0.00 C ATOM 1231 O PHE B 26 102.473 -15.441 28.264 1.00 0.00 O ATOM 1232 CB PHE B 26 100.805 -17.364 29.861 1.00 0.00 C ATOM 1233 CG PHE B 26 100.409 -18.820 30.010 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.273 -19.381 31.285 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.172 -19.608 28.873 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.905 -20.727 31.425 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.804 -20.952 29.015 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.671 -21.511 30.291 1.00 0.00 C ATOM 0 H PHE B 26 102.291 -17.150 31.972 1.00 0.00 H new ATOM 0 HA PHE B 26 102.734 -17.987 29.141 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.400 -16.779 30.687 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.384 -16.954 28.943 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.452 -18.777 32.162 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.273 -19.178 27.888 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.802 -21.159 32.410 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.623 -21.557 28.139 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.388 -22.547 30.400 1.00 0.00 H new ATOM 1248 N ASN B 27 103.438 -15.113 30.212 1.00 0.00 N ATOM 1249 CA ASN B 27 103.893 -13.746 29.820 1.00 0.00 C ATOM 1250 C ASN B 27 102.715 -12.931 29.282 1.00 0.00 C ATOM 1251 O ASN B 27 102.794 -12.334 28.226 1.00 0.00 O ATOM 1252 CB ASN B 27 104.977 -13.856 28.745 1.00 0.00 C ATOM 1253 CG ASN B 27 106.284 -14.328 29.389 1.00 0.00 C ATOM 1254 OD1 ASN B 27 107.205 -13.553 29.559 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.399 -15.570 29.769 1.00 0.00 N ATOM 0 H ASN B 27 103.703 -15.402 31.154 1.00 0.00 H new ATOM 0 HA ASN B 27 104.299 -13.242 30.697 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.667 -14.557 27.970 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.125 -12.890 28.261 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.262 -15.891 30.209 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.626 -16.221 29.627 1.00 0.00 H new ATOM 1262 N LEU B 28 101.624 -12.900 30.009 1.00 0.00 N ATOM 1263 CA LEU B 28 100.421 -12.121 29.564 1.00 0.00 C ATOM 1264 C LEU B 28 100.137 -11.001 30.579 1.00 0.00 C ATOM 1265 O LEU B 28 100.448 -11.134 31.747 1.00 0.00 O ATOM 1266 CB LEU B 28 99.210 -13.056 29.517 1.00 0.00 C ATOM 1267 CG LEU B 28 99.352 -14.047 28.352 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.380 -15.216 28.555 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.049 -13.348 27.008 1.00 0.00 C ATOM 0 H LEU B 28 101.513 -13.385 30.900 1.00 0.00 H new ATOM 0 HA LEU B 28 100.606 -11.693 28.579 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.124 -13.599 30.458 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.296 -12.474 29.400 1.00 0.00 H new ATOM 0 HG LEU B 28 100.376 -14.419 28.329 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.480 -15.920 27.729 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.610 -15.722 29.493 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.358 -14.838 28.588 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.154 -14.065 26.193 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.030 -12.960 27.021 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.748 -12.525 26.860 1.00 0.00 H new ATOM 1281 N PRO B 29 99.546 -9.903 30.151 1.00 0.00 N ATOM 1282 CA PRO B 29 99.223 -8.766 31.065 1.00 0.00 C ATOM 1283 C PRO B 29 98.013 -9.073 31.973 1.00 0.00 C ATOM 1284 O PRO B 29 97.156 -9.857 31.615 1.00 0.00 O ATOM 1285 CB PRO B 29 98.899 -7.615 30.104 1.00 0.00 C ATOM 1286 CG PRO B 29 98.380 -8.283 28.873 1.00 0.00 C ATOM 1287 CD PRO B 29 99.125 -9.618 28.764 1.00 0.00 C ATOM 0 HA PRO B 29 100.043 -8.546 31.749 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.157 -6.940 30.531 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.785 -7.019 29.887 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.304 -8.442 28.941 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.556 -7.666 27.992 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.480 -10.405 28.372 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.981 -9.544 28.094 1.00 0.00 H new ATOM 1295 N PRO B 30 97.932 -8.455 33.134 1.00 0.00 N ATOM 1296 CA PRO B 30 96.796 -8.667 34.083 1.00 0.00 C ATOM 1297 C PRO B 30 95.427 -8.723 33.382 1.00 0.00 C ATOM 1298 O PRO B 30 94.489 -9.312 33.881 1.00 0.00 O ATOM 1299 CB PRO B 30 96.864 -7.437 34.995 1.00 0.00 C ATOM 1300 CG PRO B 30 98.311 -7.054 35.026 1.00 0.00 C ATOM 1301 CD PRO B 30 98.912 -7.491 33.678 1.00 0.00 C ATOM 0 HA PRO B 30 96.886 -9.621 34.603 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.249 -6.624 34.608 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.495 -7.667 35.995 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.424 -5.980 35.170 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.823 -7.543 35.855 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.047 -6.641 33.009 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.891 -7.951 33.810 1.00 0.00 H new ATOM 1309 N VAL B 31 95.302 -8.093 32.248 1.00 0.00 N ATOM 1310 CA VAL B 31 93.989 -8.086 31.539 1.00 0.00 C ATOM 1311 C VAL B 31 93.569 -9.519 31.205 1.00 0.00 C ATOM 1312 O VAL B 31 92.456 -9.925 31.471 1.00 0.00 O ATOM 1313 CB VAL B 31 94.118 -7.276 30.243 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.838 -7.423 29.409 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.340 -5.800 30.587 1.00 0.00 C ATOM 0 H VAL B 31 96.051 -7.582 31.780 1.00 0.00 H new ATOM 0 HA VAL B 31 93.234 -7.634 32.183 1.00 0.00 H new ATOM 0 HB VAL B 31 94.965 -7.648 29.667 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.935 -6.846 28.489 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.682 -8.474 29.163 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.987 -7.054 29.981 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.432 -5.222 29.667 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.493 -5.430 31.165 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.253 -5.696 31.174 1.00 0.00 H new ATOM 1325 N VAL B 32 94.441 -10.284 30.614 1.00 0.00 N ATOM 1326 CA VAL B 32 94.080 -11.684 30.256 1.00 0.00 C ATOM 1327 C VAL B 32 94.115 -12.572 31.503 1.00 0.00 C ATOM 1328 O VAL B 32 93.265 -13.416 31.697 1.00 0.00 O ATOM 1329 CB VAL B 32 95.075 -12.216 29.229 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.713 -13.654 28.859 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.036 -11.338 27.978 1.00 0.00 C ATOM 0 H VAL B 32 95.388 -10.002 30.363 1.00 0.00 H new ATOM 0 HA VAL B 32 93.074 -11.696 29.837 1.00 0.00 H new ATOM 0 HB VAL B 32 96.079 -12.196 29.654 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.425 -14.031 28.125 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.746 -14.279 29.752 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.709 -13.679 28.436 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.747 -11.718 27.244 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.032 -11.354 27.553 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.301 -10.315 28.243 1.00 0.00 H new ATOM 1341 N ALA B 33 95.096 -12.396 32.349 1.00 0.00 N ATOM 1342 CA ALA B 33 95.179 -13.246 33.572 1.00 0.00 C ATOM 1343 C ALA B 33 93.920 -13.046 34.413 1.00 0.00 C ATOM 1344 O ALA B 33 93.244 -13.989 34.773 1.00 0.00 O ATOM 1345 CB ALA B 33 96.416 -12.847 34.381 1.00 0.00 C ATOM 0 H ALA B 33 95.839 -11.705 32.247 1.00 0.00 H new ATOM 0 HA ALA B 33 95.258 -14.296 33.289 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.481 -13.466 35.276 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.310 -12.992 33.774 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.339 -11.799 34.670 1.00 0.00 H new ATOM 1351 N LYS B 34 93.586 -11.824 34.707 1.00 0.00 N ATOM 1352 CA LYS B 34 92.356 -11.559 35.504 1.00 0.00 C ATOM 1353 C LYS B 34 91.137 -12.101 34.758 1.00 0.00 C ATOM 1354 O LYS B 34 90.230 -12.654 35.348 1.00 0.00 O ATOM 1355 CB LYS B 34 92.204 -10.050 35.707 1.00 0.00 C ATOM 1356 CG LYS B 34 93.287 -9.556 36.666 1.00 0.00 C ATOM 1357 CD LYS B 34 93.140 -8.049 36.875 1.00 0.00 C ATOM 1358 CE LYS B 34 94.125 -7.578 37.949 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.287 -6.100 37.863 1.00 0.00 N ATOM 0 H LYS B 34 94.111 -10.994 34.430 1.00 0.00 H new ATOM 0 HA LYS B 34 92.433 -12.053 36.473 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.286 -9.533 34.751 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.216 -9.823 36.108 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.205 -10.075 37.621 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.274 -9.783 36.263 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.328 -7.522 35.939 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.119 -7.812 37.175 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.762 -7.857 38.938 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.089 -8.068 37.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.956 -5.781 38.593 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.652 -5.845 36.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.366 -5.641 38.013 1.00 0.00 H new ATOM 1373 N GLU B 35 91.108 -11.939 33.464 1.00 0.00 N ATOM 1374 CA GLU B 35 89.944 -12.434 32.676 1.00 0.00 C ATOM 1375 C GLU B 35 89.827 -13.953 32.811 1.00 0.00 C ATOM 1376 O GLU B 35 88.745 -14.489 32.936 1.00 0.00 O ATOM 1377 CB GLU B 35 90.140 -12.074 31.203 1.00 0.00 C ATOM 1378 CG GLU B 35 88.868 -12.410 30.411 1.00 0.00 C ATOM 1379 CD GLU B 35 88.804 -13.915 30.131 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.855 -14.526 30.017 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.703 -14.433 30.033 1.00 0.00 O ATOM 0 H GLU B 35 91.840 -11.485 32.918 1.00 0.00 H new ATOM 0 HA GLU B 35 89.034 -11.969 33.055 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.370 -11.013 31.106 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.989 -12.623 30.795 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.987 -12.099 30.973 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.858 -11.857 29.472 1.00 0.00 H new ATOM 1388 N ILE B 36 90.927 -14.656 32.796 1.00 0.00 N ATOM 1389 CA ILE B 36 90.847 -16.135 32.933 1.00 0.00 C ATOM 1390 C ILE B 36 90.202 -16.443 34.285 1.00 0.00 C ATOM 1391 O ILE B 36 89.359 -17.311 34.406 1.00 0.00 O ATOM 1392 CB ILE B 36 92.257 -16.730 32.856 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.789 -16.586 31.428 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.214 -18.213 33.225 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.292 -16.873 31.415 1.00 0.00 C ATOM 0 H ILE B 36 91.867 -14.274 32.696 1.00 0.00 H new ATOM 0 HA ILE B 36 90.251 -16.572 32.132 1.00 0.00 H new ATOM 0 HB ILE B 36 92.909 -16.201 33.552 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.270 -17.276 30.763 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.596 -15.580 31.056 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.219 -18.631 33.169 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.831 -18.325 34.239 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.561 -18.742 32.530 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.673 -16.771 30.399 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.803 -16.165 32.067 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.472 -17.888 31.770 1.00 0.00 H new ATOM 1407 N VAL B 37 90.565 -15.699 35.290 1.00 0.00 N ATOM 1408 CA VAL B 37 89.956 -15.885 36.635 1.00 0.00 C ATOM 1409 C VAL B 37 88.483 -15.481 36.554 1.00 0.00 C ATOM 1410 O VAL B 37 87.617 -16.106 37.132 1.00 0.00 O ATOM 1411 CB VAL B 37 90.690 -14.991 37.640 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.936 -14.972 38.970 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.101 -15.542 37.864 1.00 0.00 C ATOM 0 H VAL B 37 91.267 -14.961 35.236 1.00 0.00 H new ATOM 0 HA VAL B 37 90.036 -16.923 36.956 1.00 0.00 H new ATOM 0 HB VAL B 37 90.745 -13.976 37.247 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.464 -14.334 39.679 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.930 -14.583 38.812 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.875 -15.985 39.368 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.629 -14.910 38.578 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.037 -16.557 38.255 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.642 -15.551 36.918 1.00 0.00 H new ATOM 1423 N ALA B 38 88.204 -14.427 35.837 1.00 0.00 N ATOM 1424 CA ALA B 38 86.800 -13.948 35.702 1.00 0.00 C ATOM 1425 C ALA B 38 85.919 -15.032 35.068 1.00 0.00 C ATOM 1426 O ALA B 38 84.707 -14.973 35.149 1.00 0.00 O ATOM 1427 CB ALA B 38 86.773 -12.699 34.818 1.00 0.00 C ATOM 0 H ALA B 38 88.896 -13.872 35.334 1.00 0.00 H new ATOM 0 HA ALA B 38 86.414 -13.714 36.694 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.746 -12.346 34.718 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.382 -11.918 35.273 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.171 -12.942 33.833 1.00 0.00 H new ATOM 1433 N SER B 39 86.503 -16.010 34.418 1.00 0.00 N ATOM 1434 CA SER B 39 85.672 -17.073 33.764 1.00 0.00 C ATOM 1435 C SER B 39 85.554 -18.292 34.679 1.00 0.00 C ATOM 1436 O SER B 39 84.525 -18.936 34.736 1.00 0.00 O ATOM 1437 CB SER B 39 86.333 -17.494 32.453 1.00 0.00 C ATOM 1438 OG SER B 39 86.723 -16.334 31.730 1.00 0.00 O ATOM 0 H SER B 39 87.512 -16.119 34.312 1.00 0.00 H new ATOM 0 HA SER B 39 84.676 -16.674 33.571 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.202 -18.120 32.655 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.641 -18.091 31.859 1.00 0.00 H new ATOM 0 HG SER B 39 87.484 -15.910 32.178 1.00 0.00 H new ATOM 1444 N CYS B 40 86.589 -18.619 35.397 1.00 0.00 N ATOM 1445 CA CYS B 40 86.511 -19.800 36.302 1.00 0.00 C ATOM 1446 C CYS B 40 85.386 -19.582 37.316 1.00 0.00 C ATOM 1447 O CYS B 40 85.289 -18.539 37.925 1.00 0.00 O ATOM 1448 CB CYS B 40 87.840 -19.970 37.036 1.00 0.00 C ATOM 1449 SG CYS B 40 87.864 -21.574 37.872 1.00 0.00 S ATOM 0 H CYS B 40 87.481 -18.124 35.398 1.00 0.00 H new ATOM 0 HA CYS B 40 86.307 -20.698 35.718 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.669 -19.903 36.331 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.973 -19.167 37.761 1.00 0.00 H new ATOM 1454 N ASP B 41 84.534 -20.555 37.496 1.00 0.00 N ATOM 1455 CA ASP B 41 83.405 -20.398 38.463 1.00 0.00 C ATOM 1456 C ASP B 41 83.903 -20.491 39.910 1.00 0.00 C ATOM 1457 O ASP B 41 83.379 -19.841 40.792 1.00 0.00 O ATOM 1458 CB ASP B 41 82.361 -21.492 38.219 1.00 0.00 C ATOM 1459 CG ASP B 41 81.632 -21.224 36.901 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.512 -20.065 36.538 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.200 -22.181 36.280 1.00 0.00 O ATOM 0 H ASP B 41 84.570 -21.454 37.015 1.00 0.00 H new ATOM 0 HA ASP B 41 82.960 -19.415 38.309 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.844 -22.469 38.186 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.647 -21.517 39.042 1.00 0.00 H new ATOM 1466 N LYS B 42 84.887 -21.304 40.174 1.00 0.00 N ATOM 1467 CA LYS B 42 85.372 -21.434 41.580 1.00 0.00 C ATOM 1468 C LYS B 42 86.090 -20.151 42.008 1.00 0.00 C ATOM 1469 O LYS B 42 85.946 -19.696 43.126 1.00 0.00 O ATOM 1470 CB LYS B 42 86.352 -22.607 41.676 1.00 0.00 C ATOM 1471 CG LYS B 42 85.633 -23.913 41.337 1.00 0.00 C ATOM 1472 CD LYS B 42 86.622 -25.077 41.435 1.00 0.00 C ATOM 1473 CE LYS B 42 85.915 -26.381 41.065 1.00 0.00 C ATOM 1474 NZ LYS B 42 85.631 -26.387 39.602 1.00 0.00 N ATOM 0 H LYS B 42 85.373 -21.880 39.487 1.00 0.00 H new ATOM 0 HA LYS B 42 84.517 -21.607 42.234 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.186 -22.452 40.992 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.770 -22.662 42.681 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.800 -24.071 42.022 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.214 -23.860 40.332 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.467 -24.907 40.768 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.023 -25.143 42.446 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.539 -27.235 41.330 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.987 -26.478 41.628 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.405 -27.355 39.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.823 -25.764 39.403 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.467 -26.047 39.085 1.00 0.00 H new ATOM 1488 N CYS B 43 86.866 -19.564 41.137 1.00 0.00 N ATOM 1489 CA CYS B 43 87.594 -18.311 41.504 1.00 0.00 C ATOM 1490 C CYS B 43 86.707 -17.089 41.238 1.00 0.00 C ATOM 1491 O CYS B 43 87.112 -15.965 41.461 1.00 0.00 O ATOM 1492 CB CYS B 43 88.881 -18.200 40.688 1.00 0.00 C ATOM 1493 SG CYS B 43 89.844 -19.723 40.866 1.00 0.00 S ATOM 0 H CYS B 43 87.028 -19.897 40.187 1.00 0.00 H new ATOM 0 HA CYS B 43 87.842 -18.346 42.565 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.644 -18.028 39.638 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.466 -17.345 41.027 1.00 0.00 H new ATOM 1498 N GLN B 44 85.508 -17.288 40.756 1.00 0.00 N ATOM 1499 CA GLN B 44 84.619 -16.119 40.474 1.00 0.00 C ATOM 1500 C GLN B 44 84.180 -15.480 41.792 1.00 0.00 C ATOM 1501 O GLN B 44 84.436 -14.321 42.047 1.00 0.00 O ATOM 1502 CB GLN B 44 83.376 -16.589 39.703 1.00 0.00 C ATOM 1503 CG GLN B 44 82.513 -15.386 39.303 1.00 0.00 C ATOM 1504 CD GLN B 44 83.283 -14.513 38.311 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.346 -13.224 38.503 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 83.829 -15.009 37.347 1.00 0.00 N flip ATOM 0 H GLN B 44 85.107 -18.202 40.546 1.00 0.00 H new ATOM 0 HA GLN B 44 85.165 -15.389 39.876 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.679 -17.140 38.813 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.794 -17.274 40.320 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.580 -15.727 38.855 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.249 -14.805 40.186 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.781 -16.017 37.196 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.336 -14.418 36.688 1.00 0.00 H new ATOM 1515 N LEU B 45 83.513 -16.225 42.626 1.00 0.00 N ATOM 1516 CA LEU B 45 83.047 -15.663 43.929 1.00 0.00 C ATOM 1517 C LEU B 45 84.153 -15.815 44.977 1.00 0.00 C ATOM 1518 O LEU B 45 84.918 -16.760 44.954 1.00 0.00 O ATOM 1519 CB LEU B 45 81.804 -16.426 44.393 1.00 0.00 C ATOM 1520 CG LEU B 45 80.692 -16.303 43.342 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.515 -17.194 43.751 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.216 -14.843 43.232 1.00 0.00 C ATOM 0 H LEU B 45 83.268 -17.202 42.464 1.00 0.00 H new ATOM 0 HA LEU B 45 82.806 -14.607 43.804 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.050 -17.476 44.554 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.459 -16.030 45.348 1.00 0.00 H new ATOM 0 HG LEU B 45 81.080 -16.618 42.374 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.721 -17.112 43.009 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.847 -18.230 43.813 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.138 -16.875 44.723 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.428 -14.773 42.483 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.830 -14.512 44.196 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.053 -14.209 42.939 1.00 0.00 H new ATOM 1534 N LYS B 46 84.235 -14.898 45.901 1.00 0.00 N ATOM 1535 CA LYS B 46 85.281 -14.991 46.959 1.00 0.00 C ATOM 1536 C LYS B 46 84.818 -15.996 48.020 1.00 0.00 C ATOM 1537 O LYS B 46 83.680 -16.422 48.026 1.00 0.00 O ATOM 1538 CB LYS B 46 85.483 -13.615 47.604 1.00 0.00 C ATOM 1539 CG LYS B 46 85.928 -12.589 46.548 1.00 0.00 C ATOM 1540 CD LYS B 46 87.362 -12.877 46.076 1.00 0.00 C ATOM 1541 CE LYS B 46 87.908 -11.651 45.337 1.00 0.00 C ATOM 1542 NZ LYS B 46 89.289 -11.931 44.851 1.00 0.00 N ATOM 0 H LYS B 46 83.621 -14.086 45.969 1.00 0.00 H new ATOM 0 HA LYS B 46 86.224 -15.320 46.523 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.555 -13.286 48.072 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.232 -13.682 48.393 1.00 0.00 H new ATOM 0 HG2 LYS B 46 85.248 -12.618 45.697 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.873 -11.584 46.966 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.997 -13.114 46.929 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.373 -13.747 45.419 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.260 -11.402 44.497 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.914 -10.787 46.001 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.656 -11.097 44.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.905 -12.148 45.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 89.271 -12.744 44.203 1.00 0.00 H new ATOM 1556 N GLY B 47 85.689 -16.387 48.908 1.00 0.00 N ATOM 1557 CA GLY B 47 85.297 -17.376 49.956 1.00 0.00 C ATOM 1558 C GLY B 47 84.186 -16.813 50.855 1.00 0.00 C ATOM 1559 O GLY B 47 83.926 -17.334 51.923 1.00 0.00 O ATOM 0 H GLY B 47 86.656 -16.066 48.955 1.00 0.00 H new ATOM 0 HA2 GLY B 47 84.956 -18.297 49.483 1.00 0.00 H new ATOM 0 HA3 GLY B 47 86.166 -17.632 50.562 1.00 0.00 H new ATOM 1563 N GLU B 48 83.520 -15.765 50.442 1.00 0.00 N ATOM 1564 CA GLU B 48 82.427 -15.196 51.287 1.00 0.00 C ATOM 1565 C GLU B 48 81.418 -14.482 50.381 1.00 0.00 C ATOM 1566 O GLU B 48 81.469 -13.282 50.199 1.00 0.00 O ATOM 1567 CB GLU B 48 83.026 -14.202 52.286 1.00 0.00 C ATOM 1568 CG GLU B 48 81.928 -13.678 53.213 1.00 0.00 C ATOM 1569 CD GLU B 48 82.536 -12.702 54.222 1.00 0.00 C ATOM 1570 OE1 GLU B 48 83.752 -12.646 54.306 1.00 0.00 O ATOM 1571 OE2 GLU B 48 81.775 -12.034 54.903 1.00 0.00 O ATOM 0 H GLU B 48 83.685 -15.280 49.560 1.00 0.00 H new ATOM 0 HA GLU B 48 81.923 -15.993 51.834 1.00 0.00 H new ATOM 0 HB2 GLU B 48 83.808 -14.686 52.870 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.492 -13.373 51.754 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.153 -13.180 52.631 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.451 -14.508 53.735 1.00 0.00 H new ATOM 1578 N ALA B 49 80.509 -15.222 49.803 1.00 0.00 N ATOM 1579 CA ALA B 49 79.499 -14.606 48.893 1.00 0.00 C ATOM 1580 C ALA B 49 78.386 -13.936 49.703 1.00 0.00 C ATOM 1581 O ALA B 49 77.545 -13.248 49.160 1.00 0.00 O ATOM 1582 CB ALA B 49 78.894 -15.693 48.004 1.00 0.00 C ATOM 0 H ALA B 49 80.422 -16.231 49.923 1.00 0.00 H new ATOM 0 HA ALA B 49 79.990 -13.851 48.279 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.155 -15.248 47.337 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.682 -16.160 47.413 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.413 -16.447 48.627 1.00 0.00 H new ATOM 1588 N MET B 50 78.360 -14.133 50.993 1.00 0.00 N ATOM 1589 CA MET B 50 77.284 -13.504 51.812 1.00 0.00 C ATOM 1590 C MET B 50 77.529 -11.998 51.934 1.00 0.00 C ATOM 1591 O MET B 50 78.642 -11.548 52.121 1.00 0.00 O ATOM 1592 CB MET B 50 77.261 -14.135 53.206 1.00 0.00 C ATOM 1593 CG MET B 50 76.162 -13.474 54.040 1.00 0.00 C ATOM 1594 SD MET B 50 75.928 -14.397 55.578 1.00 0.00 S ATOM 1595 CE MET B 50 74.668 -15.541 54.962 1.00 0.00 C ATOM 0 H MET B 50 79.032 -14.698 51.513 1.00 0.00 H new ATOM 0 HA MET B 50 76.324 -13.670 51.323 1.00 0.00 H new ATOM 0 HB2 MET B 50 77.081 -15.207 53.130 1.00 0.00 H new ATOM 0 HB3 MET B 50 78.229 -14.008 53.692 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.431 -12.441 54.261 1.00 0.00 H new ATOM 0 HG3 MET B 50 75.230 -13.446 53.475 1.00 0.00 H new ATOM 0 HE1 MET B 50 74.370 -16.219 55.762 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.800 -14.977 54.621 1.00 0.00 H new ATOM 0 HE3 MET B 50 75.075 -16.117 54.131 1.00 0.00 H new ATOM 1605 N HIS B 51 76.484 -11.218 51.831 1.00 0.00 N ATOM 1606 CA HIS B 51 76.625 -9.736 51.939 1.00 0.00 C ATOM 1607 C HIS B 51 75.312 -9.141 52.449 1.00 0.00 C ATOM 1608 O HIS B 51 74.311 -9.821 52.550 1.00 0.00 O ATOM 1609 CB HIS B 51 76.953 -9.151 50.563 1.00 0.00 C ATOM 1610 CG HIS B 51 77.278 -7.688 50.708 1.00 0.00 C ATOM 1611 ND1 HIS B 51 76.321 -6.698 50.528 1.00 0.00 N ATOM 1612 CD2 HIS B 51 78.444 -7.031 51.017 1.00 0.00 C ATOM 1613 CE1 HIS B 51 76.922 -5.511 50.730 1.00 0.00 C ATOM 1614 NE2 HIS B 51 78.213 -5.660 51.030 1.00 0.00 N ATOM 0 H HIS B 51 75.531 -11.548 51.675 1.00 0.00 H new ATOM 0 HA HIS B 51 77.430 -9.495 52.634 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.797 -9.681 50.122 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.107 -9.282 49.888 1.00 0.00 H new ATOM 0 HD2 HIS B 51 79.393 -7.506 51.219 1.00 0.00 H new ATOM 0 HE1 HIS B 51 76.421 -4.557 50.658 1.00 0.00 H new ATOM 0 HE2 HIS B 51 78.889 -4.922 51.228 1.00 0.00 H new ATOM 1623 N GLY B 52 75.304 -7.874 52.771 1.00 0.00 N ATOM 1624 CA GLY B 52 74.050 -7.240 53.275 1.00 0.00 C ATOM 1625 C GLY B 52 72.881 -7.624 52.364 1.00 0.00 C ATOM 1626 O GLY B 52 73.055 -7.879 51.189 1.00 0.00 O ATOM 0 H GLY B 52 76.110 -7.252 52.707 1.00 0.00 H new ATOM 0 HA2 GLY B 52 73.851 -7.565 54.296 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.163 -6.156 53.302 1.00 0.00 H new ATOM 1630 N GLN B 53 71.692 -7.677 52.898 1.00 0.00 N ATOM 1631 CA GLN B 53 70.515 -8.055 52.065 1.00 0.00 C ATOM 1632 C GLN B 53 70.063 -6.864 51.217 1.00 0.00 C ATOM 1633 O GLN B 53 70.170 -5.722 51.619 1.00 0.00 O ATOM 1634 CB GLN B 53 69.362 -8.486 52.974 1.00 0.00 C ATOM 1635 CG GLN B 53 69.677 -9.846 53.594 1.00 0.00 C ATOM 1636 CD GLN B 53 68.610 -10.188 54.634 1.00 0.00 C ATOM 1637 OE1 GLN B 53 67.478 -10.469 54.293 1.00 0.00 O ATOM 1638 NE2 GLN B 53 68.925 -10.173 55.900 1.00 0.00 N ATOM 0 H GLN B 53 71.484 -7.475 53.876 1.00 0.00 H new ATOM 0 HA GLN B 53 70.799 -8.877 51.409 1.00 0.00 H new ATOM 0 HB2 GLN B 53 69.208 -7.745 53.758 1.00 0.00 H new ATOM 0 HB3 GLN B 53 68.436 -8.542 52.402 1.00 0.00 H new ATOM 0 HG2 GLN B 53 69.706 -10.613 52.820 1.00 0.00 H new ATOM 0 HG3 GLN B 53 70.662 -9.826 54.060 1.00 0.00 H new ATOM 0 HE21 GLN B 53 69.875 -9.937 56.186 1.00 0.00 H new ATOM 0 HE22 GLN B 53 68.221 -10.397 56.603 1.00 0.00 H new ATOM 1647 N VAL B 54 69.549 -7.128 50.043 1.00 0.00 N ATOM 1648 CA VAL B 54 69.074 -6.025 49.155 1.00 0.00 C ATOM 1649 C VAL B 54 67.563 -5.853 49.337 1.00 0.00 C ATOM 1650 O VAL B 54 66.985 -4.871 48.919 1.00 0.00 O ATOM 1651 CB VAL B 54 69.383 -6.390 47.698 1.00 0.00 C ATOM 1652 CG1 VAL B 54 69.359 -5.131 46.827 1.00 0.00 C ATOM 1653 CG2 VAL B 54 70.771 -7.031 47.629 1.00 0.00 C ATOM 0 H VAL B 54 69.437 -8.066 49.659 1.00 0.00 H new ATOM 0 HA VAL B 54 69.578 -5.093 49.410 1.00 0.00 H new ATOM 0 HB VAL B 54 68.631 -7.089 47.332 1.00 0.00 H new ATOM 0 HG11 VAL B 54 69.579 -5.399 45.794 1.00 0.00 H new ATOM 0 HG12 VAL B 54 68.372 -4.671 46.880 1.00 0.00 H new ATOM 0 HG13 VAL B 54 70.108 -4.426 47.186 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.999 -7.294 46.596 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.516 -6.326 47.997 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.787 -7.930 48.245 1.00 0.00 H new ATOM 1663 N ASP B 55 66.926 -6.804 49.973 1.00 0.00 N ATOM 1664 CA ASP B 55 65.452 -6.718 50.203 1.00 0.00 C ATOM 1665 C ASP B 55 65.115 -7.373 51.543 1.00 0.00 C ATOM 1666 O ASP B 55 65.323 -6.732 52.562 1.00 0.00 O ATOM 1667 CB ASP B 55 64.709 -7.457 49.085 1.00 0.00 C ATOM 1668 CG ASP B 55 64.815 -6.669 47.778 1.00 0.00 C ATOM 1669 OD1 ASP B 55 64.991 -5.465 47.846 1.00 0.00 O ATOM 1670 OD2 ASP B 55 64.716 -7.286 46.729 1.00 0.00 O ATOM 1671 OXT ASP B 55 64.657 -8.504 51.530 1.00 0.00 O ATOM 0 H ASP B 55 67.369 -7.644 50.346 1.00 0.00 H new ATOM 0 HA ASP B 55 65.148 -5.671 50.211 1.00 0.00 H new ATOM 0 HB2 ASP B 55 65.130 -8.454 48.954 1.00 0.00 H new ATOM 0 HB3 ASP B 55 63.662 -7.587 49.357 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.468 -1.894 35.590 1.00 0.00 CD HETATM 1678 CD CD B 56 90.201 -21.389 38.923 1.00 0.00 CD