USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 616 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 59 MET CE :methyl -143:sc= 0 (180deg=-0.279) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.01 K(o=-1,f=-5.9!) USER MOD Set 2.1: A 14 HIS : no HE2:sc= -4.47! C(o=-4.5!,f=-7.3!) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= -0.0121 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.85) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0.222 (180deg=0.193) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.501 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -38:sc= 0.662! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 130:sc=-0.00245 USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.492 (180deg=-1.58) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.142 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0704 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.642! F(o=-1.5,f=-0.64!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0734 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.62 K(o=-1.6,f=-5.2!) USER MOD Single : A 74 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.45) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 63.575 -9.419 8.060 1.00 0.00 N ATOM 18 CA GLU A 2 62.875 -8.343 8.816 1.00 0.00 C ATOM 19 C GLU A 2 63.754 -7.890 9.984 1.00 0.00 C ATOM 20 O GLU A 2 63.770 -6.731 10.347 1.00 0.00 O ATOM 21 CB GLU A 2 61.543 -8.875 9.351 1.00 0.00 C ATOM 22 CG GLU A 2 61.730 -10.305 9.862 1.00 0.00 C ATOM 23 CD GLU A 2 60.534 -10.698 10.729 1.00 0.00 C ATOM 24 OE1 GLU A 2 60.049 -9.847 11.456 1.00 0.00 O ATOM 25 OE2 GLU A 2 60.121 -11.844 10.650 1.00 0.00 O ATOM 0 HA GLU A 2 62.685 -7.498 8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 2 61.181 -8.235 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.789 -8.855 8.564 1.00 0.00 H new ATOM 0 HG2 GLU A 2 61.825 -10.993 9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 2 62.651 -10.378 10.440 1.00 0.00 H new ATOM 32 N GLN A 3 64.484 -8.796 10.574 1.00 0.00 N ATOM 33 CA GLN A 3 65.362 -8.417 11.717 1.00 0.00 C ATOM 34 C GLN A 3 66.361 -7.354 11.259 1.00 0.00 C ATOM 35 O GLN A 3 66.646 -6.408 11.966 1.00 0.00 O ATOM 36 CB GLN A 3 66.121 -9.653 12.208 1.00 0.00 C ATOM 37 CG GLN A 3 65.869 -9.851 13.706 1.00 0.00 C ATOM 38 CD GLN A 3 66.255 -11.276 14.105 1.00 0.00 C ATOM 39 OE1 GLN A 3 65.768 -12.232 13.534 1.00 0.00 O ATOM 40 NE2 GLN A 3 67.117 -11.460 15.068 1.00 0.00 N ATOM 0 H GLN A 3 64.511 -9.782 10.314 1.00 0.00 H new ATOM 0 HA GLN A 3 64.753 -8.019 12.528 1.00 0.00 H new ATOM 0 HB2 GLN A 3 65.797 -10.535 11.655 1.00 0.00 H new ATOM 0 HB3 GLN A 3 67.188 -9.534 12.021 1.00 0.00 H new ATOM 0 HG2 GLN A 3 66.451 -9.131 14.282 1.00 0.00 H new ATOM 0 HG3 GLN A 3 64.819 -9.669 13.936 1.00 0.00 H new ATOM 0 HE21 GLN A 3 67.526 -10.657 15.547 1.00 0.00 H new ATOM 0 HE22 GLN A 3 67.382 -12.406 15.341 1.00 0.00 H new ATOM 49 N LEU A 4 66.896 -7.505 10.079 1.00 0.00 N ATOM 50 CA LEU A 4 67.880 -6.507 9.569 1.00 0.00 C ATOM 51 C LEU A 4 67.156 -5.202 9.235 1.00 0.00 C ATOM 52 O LEU A 4 67.761 -4.152 9.138 1.00 0.00 O ATOM 53 CB LEU A 4 68.549 -7.053 8.305 1.00 0.00 C ATOM 54 CG LEU A 4 69.429 -8.250 8.667 1.00 0.00 C ATOM 55 CD1 LEU A 4 69.879 -8.958 7.387 1.00 0.00 C ATOM 56 CD2 LEU A 4 70.658 -7.764 9.439 1.00 0.00 C ATOM 0 H LEU A 4 66.694 -8.278 9.444 1.00 0.00 H new ATOM 0 HA LEU A 4 68.636 -6.320 10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.791 -7.352 7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 4 69.151 -6.275 7.835 1.00 0.00 H new ATOM 0 HG LEU A 4 68.861 -8.944 9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 4 70.506 -9.811 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 4 69.005 -9.304 6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 4 70.447 -8.264 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 4 71.286 -8.617 9.698 1.00 0.00 H new ATOM 0 HD22 LEU A 4 71.226 -7.070 8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.339 -7.259 10.351 1.00 0.00 H new ATOM 68 N ALA A 5 65.866 -5.258 9.059 1.00 0.00 N ATOM 69 CA ALA A 5 65.103 -4.021 8.729 1.00 0.00 C ATOM 70 C ALA A 5 64.497 -3.437 10.006 1.00 0.00 C ATOM 71 O ALA A 5 63.819 -2.428 9.977 1.00 0.00 O ATOM 72 CB ALA A 5 63.983 -4.364 7.745 1.00 0.00 C ATOM 0 H ALA A 5 65.306 -6.107 9.129 1.00 0.00 H new ATOM 0 HA ALA A 5 65.774 -3.289 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 5 63.423 -3.461 7.502 1.00 0.00 H new ATOM 0 HB2 ALA A 5 64.414 -4.780 6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 5 63.313 -5.096 8.197 1.00 0.00 H new ATOM 78 N LYS A 6 64.733 -4.060 11.128 1.00 0.00 N ATOM 79 CA LYS A 6 64.165 -3.538 12.403 1.00 0.00 C ATOM 80 C LYS A 6 65.292 -2.987 13.280 1.00 0.00 C ATOM 81 O LYS A 6 65.371 -1.799 13.530 1.00 0.00 O ATOM 82 CB LYS A 6 63.451 -4.673 13.140 1.00 0.00 C ATOM 83 CG LYS A 6 61.996 -4.748 12.675 1.00 0.00 C ATOM 84 CD LYS A 6 61.093 -4.080 13.713 1.00 0.00 C ATOM 85 CE LYS A 6 59.797 -4.879 13.852 1.00 0.00 C ATOM 86 NZ LYS A 6 58.811 -4.408 12.838 1.00 0.00 N ATOM 0 H LYS A 6 65.294 -4.907 11.217 1.00 0.00 H new ATOM 0 HA LYS A 6 63.455 -2.740 12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.955 -5.620 12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.492 -4.504 14.216 1.00 0.00 H new ATOM 0 HG2 LYS A 6 61.886 -4.254 11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.701 -5.788 12.536 1.00 0.00 H new ATOM 0 HD2 LYS A 6 61.604 -4.026 14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 6 60.871 -3.056 13.412 1.00 0.00 H new ATOM 0 HE2 LYS A 6 59.996 -5.942 13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 6 59.389 -4.758 14.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.929 -4.951 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.613 -3.398 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 59.202 -4.545 11.884 1.00 0.00 H new ATOM 100 N GLN A 7 66.163 -3.836 13.751 1.00 0.00 N ATOM 101 CA GLN A 7 67.280 -3.356 14.613 1.00 0.00 C ATOM 102 C GLN A 7 68.012 -2.211 13.914 1.00 0.00 C ATOM 103 O GLN A 7 68.121 -1.120 14.435 1.00 0.00 O ATOM 104 CB GLN A 7 68.259 -4.502 14.872 1.00 0.00 C ATOM 105 CG GLN A 7 67.563 -5.594 15.686 1.00 0.00 C ATOM 106 CD GLN A 7 66.975 -4.984 16.961 1.00 0.00 C ATOM 107 OE1 GLN A 7 67.604 -4.167 17.603 1.00 0.00 O ATOM 108 NE2 GLN A 7 65.787 -5.352 17.356 1.00 0.00 N ATOM 0 H GLN A 7 66.150 -4.841 13.577 1.00 0.00 H new ATOM 0 HA GLN A 7 66.875 -3.003 15.562 1.00 0.00 H new ATOM 0 HB2 GLN A 7 68.616 -4.910 13.926 1.00 0.00 H new ATOM 0 HB3 GLN A 7 69.132 -4.134 15.410 1.00 0.00 H new ATOM 0 HG2 GLN A 7 66.773 -6.056 15.094 1.00 0.00 H new ATOM 0 HG3 GLN A 7 68.273 -6.381 15.941 1.00 0.00 H new ATOM 0 HE21 GLN A 7 65.260 -6.038 16.816 1.00 0.00 H new ATOM 0 HE22 GLN A 7 65.386 -4.953 18.205 1.00 0.00 H new ATOM 117 N LYS A 8 68.517 -2.456 12.739 1.00 0.00 N ATOM 118 CA LYS A 8 69.246 -1.385 12.002 1.00 0.00 C ATOM 119 C LYS A 8 68.471 -0.072 12.115 1.00 0.00 C ATOM 120 O LYS A 8 69.040 0.979 12.332 1.00 0.00 O ATOM 121 CB LYS A 8 69.372 -1.775 10.527 1.00 0.00 C ATOM 122 CG LYS A 8 70.849 -1.782 10.126 1.00 0.00 C ATOM 123 CD LYS A 8 71.279 -0.367 9.738 1.00 0.00 C ATOM 124 CE LYS A 8 72.371 0.115 10.693 1.00 0.00 C ATOM 125 NZ LYS A 8 71.989 1.442 11.254 1.00 0.00 N ATOM 0 H LYS A 8 68.457 -3.352 12.255 1.00 0.00 H new ATOM 0 HA LYS A 8 70.240 -1.260 12.432 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.934 -2.759 10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.819 -1.071 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.459 -2.145 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.007 -2.463 9.290 1.00 0.00 H new ATOM 0 HD2 LYS A 8 71.648 -0.356 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 8 70.424 0.308 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 8 72.509 -0.606 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 8 73.322 0.191 10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 72.640 1.693 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 72.043 2.163 10.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 71.017 1.397 11.622 1.00 0.00 H new ATOM 139 N GLY A 9 67.176 -0.124 11.971 1.00 0.00 N ATOM 140 CA GLY A 9 66.364 1.121 12.073 1.00 0.00 C ATOM 141 C GLY A 9 66.018 1.622 10.670 1.00 0.00 C ATOM 142 O GLY A 9 66.023 2.807 10.405 1.00 0.00 O ATOM 0 H GLY A 9 66.645 -0.975 11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.451 0.927 12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.918 1.886 12.617 1.00 0.00 H new ATOM 146 N CYS A 10 65.715 0.728 9.768 1.00 0.00 N ATOM 147 CA CYS A 10 65.369 1.155 8.384 1.00 0.00 C ATOM 148 C CYS A 10 63.868 1.442 8.296 1.00 0.00 C ATOM 149 O CYS A 10 63.450 2.481 7.826 1.00 0.00 O ATOM 150 CB CYS A 10 65.729 0.040 7.399 1.00 0.00 C ATOM 151 SG CYS A 10 67.469 -0.420 7.607 1.00 0.00 S ATOM 0 H CYS A 10 65.692 -0.279 9.930 1.00 0.00 H new ATOM 0 HA CYS A 10 65.928 2.057 8.135 1.00 0.00 H new ATOM 0 HB2 CYS A 10 65.091 -0.827 7.568 1.00 0.00 H new ATOM 0 HB3 CYS A 10 65.551 0.373 6.377 1.00 0.00 H new ATOM 0 HG CYS A 10 67.770 -1.368 6.771 1.00 0.00 H new ATOM 156 N MET A 11 63.053 0.524 8.741 1.00 0.00 N ATOM 157 CA MET A 11 61.578 0.738 8.678 1.00 0.00 C ATOM 158 C MET A 11 61.203 2.005 9.450 1.00 0.00 C ATOM 159 O MET A 11 60.116 2.529 9.307 1.00 0.00 O ATOM 160 CB MET A 11 60.866 -0.467 9.295 1.00 0.00 C ATOM 161 CG MET A 11 60.845 -1.616 8.287 1.00 0.00 C ATOM 162 SD MET A 11 59.853 -2.980 8.945 1.00 0.00 S ATOM 163 CE MET A 11 59.118 -3.504 7.376 1.00 0.00 C ATOM 0 H MET A 11 63.345 -0.366 9.146 1.00 0.00 H new ATOM 0 HA MET A 11 61.273 0.851 7.638 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.377 -0.778 10.206 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.848 -0.197 9.576 1.00 0.00 H new ATOM 0 HG2 MET A 11 60.429 -1.274 7.339 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.861 -1.956 8.086 1.00 0.00 H new ATOM 0 HE1 MET A 11 58.456 -4.352 7.550 1.00 0.00 H new ATOM 0 HE2 MET A 11 58.548 -2.680 6.948 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.908 -3.796 6.684 1.00 0.00 H new ATOM 173 N ALA A 12 62.091 2.504 10.266 1.00 0.00 N ATOM 174 CA ALA A 12 61.776 3.739 11.040 1.00 0.00 C ATOM 175 C ALA A 12 61.194 4.789 10.093 1.00 0.00 C ATOM 176 O ALA A 12 60.341 5.572 10.463 1.00 0.00 O ATOM 177 CB ALA A 12 63.056 4.280 11.680 1.00 0.00 C ATOM 0 H ALA A 12 63.018 2.112 10.430 1.00 0.00 H new ATOM 0 HA ALA A 12 61.052 3.509 11.821 1.00 0.00 H new ATOM 0 HB1 ALA A 12 62.826 5.183 12.246 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.474 3.528 12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.781 4.515 10.901 1.00 0.00 H new ATOM 183 N CYS A 13 61.648 4.806 8.871 1.00 0.00 N ATOM 184 CA CYS A 13 61.125 5.798 7.891 1.00 0.00 C ATOM 185 C CYS A 13 60.484 5.053 6.718 1.00 0.00 C ATOM 186 O CYS A 13 59.785 5.630 5.911 1.00 0.00 O ATOM 187 CB CYS A 13 62.277 6.661 7.375 1.00 0.00 C ATOM 188 SG CYS A 13 63.192 7.349 8.777 1.00 0.00 S ATOM 0 H CYS A 13 62.361 4.174 8.508 1.00 0.00 H new ATOM 0 HA CYS A 13 60.383 6.435 8.373 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.942 6.063 6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.891 7.466 6.749 1.00 0.00 H new ATOM 0 HG CYS A 13 64.173 8.081 8.338 1.00 0.00 H new ATOM 193 N HIS A 14 60.721 3.774 6.619 1.00 0.00 N ATOM 194 CA HIS A 14 60.130 2.993 5.496 1.00 0.00 C ATOM 195 C HIS A 14 58.830 2.330 5.957 1.00 0.00 C ATOM 196 O HIS A 14 58.384 2.518 7.072 1.00 0.00 O ATOM 197 CB HIS A 14 61.118 1.915 5.049 1.00 0.00 C ATOM 198 CG HIS A 14 62.117 2.514 4.098 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.937 2.484 2.724 1.00 0.00 N ATOM 200 CD2 HIS A 14 63.309 3.161 4.307 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.996 3.098 2.165 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.862 3.529 3.084 1.00 0.00 N ATOM 0 H HIS A 14 61.298 3.236 7.266 1.00 0.00 H new ATOM 0 HA HIS A 14 59.919 3.664 4.663 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.630 1.495 5.914 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.585 1.096 4.565 1.00 0.00 H new ATOM 0 HD1 HIS A 14 61.147 2.072 2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.751 3.355 5.273 1.00 0.00 H new ATOM 0 HE1 HIS A 14 63.129 3.226 1.101 1.00 0.00 H new ATOM 210 N ASP A 15 58.220 1.555 5.103 1.00 0.00 N ATOM 211 CA ASP A 15 56.951 0.875 5.481 1.00 0.00 C ATOM 212 C ASP A 15 56.369 0.175 4.252 1.00 0.00 C ATOM 213 O ASP A 15 56.344 0.725 3.168 1.00 0.00 O ATOM 214 CB ASP A 15 55.951 1.908 6.003 1.00 0.00 C ATOM 215 CG ASP A 15 55.775 1.731 7.512 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.055 0.826 7.902 1.00 0.00 O ATOM 217 OD2 ASP A 15 56.365 2.501 8.253 1.00 0.00 O ATOM 0 H ASP A 15 58.548 1.363 4.156 1.00 0.00 H new ATOM 0 HA ASP A 15 57.149 0.140 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.305 2.915 5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.992 1.789 5.498 1.00 0.00 H new ATOM 222 N LEU A 16 55.905 -1.034 4.408 1.00 0.00 N ATOM 223 CA LEU A 16 55.330 -1.764 3.243 1.00 0.00 C ATOM 224 C LEU A 16 54.099 -1.025 2.725 1.00 0.00 C ATOM 225 O LEU A 16 53.958 -0.789 1.542 1.00 0.00 O ATOM 226 CB LEU A 16 54.915 -3.172 3.671 1.00 0.00 C ATOM 227 CG LEU A 16 56.137 -3.949 4.170 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.806 -5.441 4.219 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.316 -3.723 3.219 1.00 0.00 C ATOM 0 H LEU A 16 55.899 -1.547 5.289 1.00 0.00 H new ATOM 0 HA LEU A 16 56.083 -1.822 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.164 -3.115 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.458 -3.696 2.832 1.00 0.00 H new ATOM 0 HG LEU A 16 56.404 -3.599 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.675 -5.995 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.969 -5.606 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.538 -5.787 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.184 -4.277 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.050 -4.071 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.555 -2.660 3.181 1.00 0.00 H new ATOM 241 N LYS A 17 53.201 -0.668 3.599 1.00 0.00 N ATOM 242 CA LYS A 17 51.974 0.041 3.149 1.00 0.00 C ATOM 243 C LYS A 17 51.793 1.329 3.955 1.00 0.00 C ATOM 244 O LYS A 17 50.703 1.656 4.379 1.00 0.00 O ATOM 245 CB LYS A 17 50.761 -0.866 3.357 1.00 0.00 C ATOM 246 CG LYS A 17 49.745 -0.631 2.236 1.00 0.00 C ATOM 247 CD LYS A 17 48.337 -0.540 2.831 1.00 0.00 C ATOM 248 CE LYS A 17 47.949 -1.890 3.438 1.00 0.00 C ATOM 249 NZ LYS A 17 46.930 -2.550 2.572 1.00 0.00 N ATOM 0 H LYS A 17 53.264 -0.836 4.603 1.00 0.00 H new ATOM 0 HA LYS A 17 52.069 0.291 2.092 1.00 0.00 H new ATOM 0 HB2 LYS A 17 51.073 -1.910 3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 17 50.303 -0.662 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 17 49.985 0.288 1.701 1.00 0.00 H new ATOM 0 HG3 LYS A 17 49.793 -1.444 1.511 1.00 0.00 H new ATOM 0 HD2 LYS A 17 48.303 0.237 3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 17 47.622 -0.258 2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 17 48.830 -2.526 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 17 47.551 -1.748 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 46.666 -3.468 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 46.087 -1.945 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 47.326 -2.698 1.622 1.00 0.00 H new ATOM 263 N ALA A 18 52.849 2.063 4.168 1.00 0.00 N ATOM 264 CA ALA A 18 52.731 3.330 4.945 1.00 0.00 C ATOM 265 C ALA A 18 53.831 4.298 4.506 1.00 0.00 C ATOM 266 O ALA A 18 54.856 4.419 5.147 1.00 0.00 O ATOM 267 CB ALA A 18 52.881 3.031 6.437 1.00 0.00 C ATOM 0 H ALA A 18 53.788 1.841 3.838 1.00 0.00 H new ATOM 0 HA ALA A 18 51.755 3.779 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.795 3.958 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.099 2.340 6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.857 2.582 6.622 1.00 0.00 H new ATOM 273 N LYS A 19 53.626 4.987 3.417 1.00 0.00 N ATOM 274 CA LYS A 19 54.660 5.944 2.935 1.00 0.00 C ATOM 275 C LYS A 19 54.998 6.940 4.047 1.00 0.00 C ATOM 276 O LYS A 19 54.385 7.981 4.170 1.00 0.00 O ATOM 277 CB LYS A 19 54.132 6.698 1.713 1.00 0.00 C ATOM 278 CG LYS A 19 55.308 7.234 0.897 1.00 0.00 C ATOM 279 CD LYS A 19 55.136 8.739 0.683 1.00 0.00 C ATOM 280 CE LYS A 19 56.407 9.465 1.126 1.00 0.00 C ATOM 281 NZ LYS A 19 56.270 10.924 0.852 1.00 0.00 N ATOM 0 H LYS A 19 52.787 4.928 2.840 1.00 0.00 H new ATOM 0 HA LYS A 19 55.559 5.394 2.659 1.00 0.00 H new ATOM 0 HB2 LYS A 19 53.522 6.035 1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.490 7.520 2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.246 7.034 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 19 55.361 6.723 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 19 54.933 8.947 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 19 54.280 9.103 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.581 9.299 2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 19 57.271 9.064 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 57.135 11.417 1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 56.124 11.074 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 55.456 11.301 1.378 1.00 0.00 H new ATOM 295 N LYS A 20 55.971 6.627 4.859 1.00 0.00 N ATOM 296 CA LYS A 20 56.351 7.552 5.963 1.00 0.00 C ATOM 297 C LYS A 20 57.424 8.527 5.462 1.00 0.00 C ATOM 298 O LYS A 20 57.540 8.773 4.278 1.00 0.00 O ATOM 299 CB LYS A 20 56.898 6.734 7.135 1.00 0.00 C ATOM 300 CG LYS A 20 55.986 6.916 8.351 1.00 0.00 C ATOM 301 CD LYS A 20 54.614 6.308 8.052 1.00 0.00 C ATOM 302 CE LYS A 20 53.657 6.604 9.208 1.00 0.00 C ATOM 303 NZ LYS A 20 52.251 6.448 8.742 1.00 0.00 N ATOM 0 H LYS A 20 56.520 5.769 4.805 1.00 0.00 H new ATOM 0 HA LYS A 20 55.479 8.117 6.291 1.00 0.00 H new ATOM 0 HB2 LYS A 20 56.954 5.680 6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 20 57.912 7.055 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 20 56.426 6.436 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 20 55.883 7.975 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 20 54.217 6.720 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 20 54.706 5.231 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 20 53.853 5.926 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 20 53.819 7.617 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 51.600 6.649 9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 52.068 7.112 7.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 52.101 5.474 8.410 1.00 0.00 H new ATOM 317 N VAL A 21 58.208 9.084 6.349 1.00 0.00 N ATOM 318 CA VAL A 21 59.270 10.038 5.915 1.00 0.00 C ATOM 319 C VAL A 21 59.965 9.479 4.677 1.00 0.00 C ATOM 320 O VAL A 21 60.431 10.210 3.826 1.00 0.00 O ATOM 321 CB VAL A 21 60.294 10.208 7.037 1.00 0.00 C ATOM 322 CG1 VAL A 21 61.416 11.137 6.569 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.609 10.815 8.264 1.00 0.00 C ATOM 0 H VAL A 21 58.158 8.919 7.354 1.00 0.00 H new ATOM 0 HA VAL A 21 58.823 11.005 5.684 1.00 0.00 H new ATOM 0 HB VAL A 21 60.712 9.236 7.297 1.00 0.00 H new ATOM 0 HG11 VAL A 21 62.146 11.258 7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.904 10.706 5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.998 12.110 6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.338 10.937 9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 21 59.191 11.787 8.003 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.810 10.154 8.599 1.00 0.00 H new ATOM 333 N GLY A 22 60.030 8.183 4.570 1.00 0.00 N ATOM 334 CA GLY A 22 60.688 7.560 3.389 1.00 0.00 C ATOM 335 C GLY A 22 59.625 6.897 2.509 1.00 0.00 C ATOM 336 O GLY A 22 58.461 6.877 2.856 1.00 0.00 O ATOM 0 H GLY A 22 59.654 7.525 5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 22 61.229 8.315 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 22 61.420 6.821 3.714 1.00 0.00 H new ATOM 340 N PRO A 23 60.060 6.373 1.393 1.00 0.00 N ATOM 341 CA PRO A 23 59.169 5.698 0.434 1.00 0.00 C ATOM 342 C PRO A 23 58.824 4.287 0.920 1.00 0.00 C ATOM 343 O PRO A 23 59.692 3.514 1.276 1.00 0.00 O ATOM 344 CB PRO A 23 60.003 5.641 -0.850 1.00 0.00 C ATOM 345 CG PRO A 23 61.483 5.761 -0.415 1.00 0.00 C ATOM 346 CD PRO A 23 61.480 6.406 0.984 1.00 0.00 C ATOM 0 HA PRO A 23 58.218 6.213 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 23 59.830 4.707 -1.384 1.00 0.00 H new ATOM 0 HB3 PRO A 23 59.730 6.451 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.960 4.781 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 23 62.046 6.371 -1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 23 62.108 5.851 1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 23 61.862 7.426 0.953 1.00 0.00 H new ATOM 354 N ALA A 24 57.564 3.943 0.937 1.00 0.00 N ATOM 355 CA ALA A 24 57.174 2.582 1.399 1.00 0.00 C ATOM 356 C ALA A 24 57.904 1.538 0.552 1.00 0.00 C ATOM 357 O ALA A 24 58.057 1.691 -0.643 1.00 0.00 O ATOM 358 CB ALA A 24 55.662 2.397 1.250 1.00 0.00 C ATOM 0 H ALA A 24 56.791 4.544 0.652 1.00 0.00 H new ATOM 0 HA ALA A 24 57.445 2.461 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 24 55.382 1.400 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 24 55.143 3.144 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 24 55.382 2.516 0.203 1.00 0.00 H new ATOM 364 N TYR A 25 58.359 0.481 1.163 1.00 0.00 N ATOM 365 CA TYR A 25 59.082 -0.569 0.400 1.00 0.00 C ATOM 366 C TYR A 25 58.202 -1.078 -0.744 1.00 0.00 C ATOM 367 O TYR A 25 58.666 -1.303 -1.845 1.00 0.00 O ATOM 368 CB TYR A 25 59.416 -1.723 1.342 1.00 0.00 C ATOM 369 CG TYR A 25 60.509 -1.297 2.293 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.639 -0.625 1.809 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.394 -1.575 3.660 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.651 -0.232 2.693 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.406 -1.182 4.543 1.00 0.00 C ATOM 374 CZ TYR A 25 62.535 -0.511 4.060 1.00 0.00 C ATOM 375 OH TYR A 25 63.532 -0.123 4.931 1.00 0.00 O ATOM 0 H TYR A 25 58.260 0.300 2.162 1.00 0.00 H new ATOM 0 HA TYR A 25 59.999 -0.153 -0.017 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.528 -2.019 1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.737 -2.593 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.729 -0.410 0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.523 -2.093 4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.522 0.287 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.316 -1.397 5.598 1.00 0.00 H new ATOM 0 HH TYR A 25 63.293 -0.393 5.842 1.00 0.00 H new ATOM 385 N ALA A 26 56.936 -1.267 -0.493 1.00 0.00 N ATOM 386 CA ALA A 26 56.030 -1.768 -1.565 1.00 0.00 C ATOM 387 C ALA A 26 56.007 -0.776 -2.729 1.00 0.00 C ATOM 388 O ALA A 26 56.039 -1.158 -3.882 1.00 0.00 O ATOM 389 CB ALA A 26 54.616 -1.921 -1.002 1.00 0.00 C ATOM 0 H ALA A 26 56.489 -1.096 0.408 1.00 0.00 H new ATOM 0 HA ALA A 26 56.392 -2.733 -1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.951 -2.287 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.629 -2.630 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.260 -0.954 -0.646 1.00 0.00 H new ATOM 395 N ASP A 27 55.946 0.494 -2.439 1.00 0.00 N ATOM 396 CA ASP A 27 55.916 1.506 -3.529 1.00 0.00 C ATOM 397 C ASP A 27 57.266 1.528 -4.251 1.00 0.00 C ATOM 398 O ASP A 27 57.357 1.903 -5.402 1.00 0.00 O ATOM 399 CB ASP A 27 55.638 2.887 -2.932 1.00 0.00 C ATOM 400 CG ASP A 27 54.128 3.133 -2.895 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.489 2.636 -1.983 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.637 3.813 -3.781 1.00 0.00 O ATOM 0 H ASP A 27 55.916 0.874 -1.493 1.00 0.00 H new ATOM 0 HA ASP A 27 55.131 1.248 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 27 56.052 2.950 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 27 56.128 3.657 -3.527 1.00 0.00 H new ATOM 407 N VAL A 28 58.315 1.134 -3.583 1.00 0.00 N ATOM 408 CA VAL A 28 59.654 1.139 -4.229 1.00 0.00 C ATOM 409 C VAL A 28 59.708 0.060 -5.313 1.00 0.00 C ATOM 410 O VAL A 28 59.948 0.344 -6.470 1.00 0.00 O ATOM 411 CB VAL A 28 60.728 0.863 -3.175 1.00 0.00 C ATOM 412 CG1 VAL A 28 62.104 0.852 -3.841 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.685 1.961 -2.110 1.00 0.00 C ATOM 0 H VAL A 28 58.301 0.809 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 28 59.833 2.113 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 28 60.543 -0.105 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.870 0.655 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.133 0.073 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.291 1.820 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.449 1.768 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 28 60.872 2.928 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.703 1.970 -1.637 1.00 0.00 H new ATOM 423 N ALA A 29 59.488 -1.174 -4.952 1.00 0.00 N ATOM 424 CA ALA A 29 59.531 -2.265 -5.966 1.00 0.00 C ATOM 425 C ALA A 29 58.529 -1.962 -7.082 1.00 0.00 C ATOM 426 O ALA A 29 58.825 -2.110 -8.252 1.00 0.00 O ATOM 427 CB ALA A 29 59.170 -3.596 -5.304 1.00 0.00 C ATOM 0 H ALA A 29 59.280 -1.474 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 29 60.535 -2.331 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 29 59.202 -4.393 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.884 -3.812 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 29 58.167 -3.533 -4.883 1.00 0.00 H new ATOM 433 N LYS A 30 57.347 -1.536 -6.731 1.00 0.00 N ATOM 434 CA LYS A 30 56.329 -1.222 -7.773 1.00 0.00 C ATOM 435 C LYS A 30 56.842 -0.080 -8.651 1.00 0.00 C ATOM 436 O LYS A 30 56.576 -0.025 -9.835 1.00 0.00 O ATOM 437 CB LYS A 30 55.024 -0.798 -7.098 1.00 0.00 C ATOM 438 CG LYS A 30 53.854 -1.041 -8.053 1.00 0.00 C ATOM 439 CD LYS A 30 52.898 0.153 -8.007 1.00 0.00 C ATOM 440 CE LYS A 30 51.692 -0.190 -7.131 1.00 0.00 C ATOM 441 NZ LYS A 30 50.527 0.645 -7.541 1.00 0.00 N ATOM 0 H LYS A 30 57.042 -1.392 -5.768 1.00 0.00 H new ATOM 0 HA LYS A 30 56.150 -2.104 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 30 54.879 -1.362 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.070 0.256 -6.823 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.224 -1.185 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.327 -1.953 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 30 53.412 1.028 -7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 30 52.568 0.407 -9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 30 51.447 -1.248 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 30 51.929 -0.013 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 49.707 0.412 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 50.764 1.651 -7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 50.297 0.455 -8.537 1.00 0.00 H new ATOM 455 N LYS A 31 57.576 0.835 -8.077 1.00 0.00 N ATOM 456 CA LYS A 31 58.107 1.973 -8.874 1.00 0.00 C ATOM 457 C LYS A 31 58.998 1.438 -9.995 1.00 0.00 C ATOM 458 O LYS A 31 59.149 2.055 -11.031 1.00 0.00 O ATOM 459 CB LYS A 31 58.927 2.891 -7.965 1.00 0.00 C ATOM 460 CG LYS A 31 58.645 4.350 -8.325 1.00 0.00 C ATOM 461 CD LYS A 31 59.864 5.205 -7.975 1.00 0.00 C ATOM 462 CE LYS A 31 60.652 5.517 -9.249 1.00 0.00 C ATOM 463 NZ LYS A 31 60.252 6.857 -9.763 1.00 0.00 N ATOM 0 H LYS A 31 57.830 0.842 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 31 57.278 2.534 -9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.673 2.707 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 31 59.990 2.677 -8.077 1.00 0.00 H new ATOM 0 HG2 LYS A 31 58.419 4.437 -9.388 1.00 0.00 H new ATOM 0 HG3 LYS A 31 57.769 4.707 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 31 59.546 6.131 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 31 60.498 4.678 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 31 61.722 5.500 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 31 60.461 4.754 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 60.787 7.070 -10.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 59.234 6.857 -9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 60.456 7.580 -9.043 1.00 0.00 H new ATOM 477 N TYR A 32 59.590 0.292 -9.799 1.00 0.00 N ATOM 478 CA TYR A 32 60.471 -0.283 -10.852 1.00 0.00 C ATOM 479 C TYR A 32 59.689 -1.323 -11.663 1.00 0.00 C ATOM 480 O TYR A 32 58.898 -0.982 -12.520 1.00 0.00 O ATOM 481 CB TYR A 32 61.687 -0.934 -10.191 1.00 0.00 C ATOM 482 CG TYR A 32 62.559 0.136 -9.585 1.00 0.00 C ATOM 483 CD1 TYR A 32 62.999 1.208 -10.371 1.00 0.00 C ATOM 484 CD2 TYR A 32 62.926 0.061 -8.236 1.00 0.00 C ATOM 485 CE1 TYR A 32 63.806 2.205 -9.809 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.733 1.057 -7.674 1.00 0.00 C ATOM 487 CZ TYR A 32 64.173 2.129 -8.460 1.00 0.00 C ATOM 488 OH TYR A 32 64.968 3.111 -7.905 1.00 0.00 O ATOM 0 H TYR A 32 59.501 -0.271 -8.953 1.00 0.00 H new ATOM 0 HA TYR A 32 60.809 0.506 -11.524 1.00 0.00 H new ATOM 0 HB2 TYR A 32 61.365 -1.635 -9.421 1.00 0.00 H new ATOM 0 HB3 TYR A 32 62.252 -1.506 -10.927 1.00 0.00 H new ATOM 0 HD1 TYR A 32 62.716 1.266 -11.412 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.586 -0.765 -7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 32 64.145 3.032 -10.416 1.00 0.00 H new ATOM 0 HE2 TYR A 32 64.016 0.999 -6.634 1.00 0.00 H new ATOM 0 HH TYR A 32 65.643 3.393 -8.557 1.00 0.00 H new ATOM 498 N ALA A 33 59.897 -2.589 -11.406 1.00 0.00 N ATOM 499 CA ALA A 33 59.159 -3.631 -12.172 1.00 0.00 C ATOM 500 C ALA A 33 59.710 -3.697 -13.593 1.00 0.00 C ATOM 501 O ALA A 33 59.454 -2.837 -14.413 1.00 0.00 O ATOM 502 CB ALA A 33 57.670 -3.280 -12.214 1.00 0.00 C ATOM 0 H ALA A 33 60.544 -2.943 -10.701 1.00 0.00 H new ATOM 0 HA ALA A 33 59.286 -4.599 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 33 57.132 -4.044 -12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 33 57.279 -3.233 -11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 33 57.538 -2.313 -12.699 1.00 0.00 H new ATOM 508 N GLY A 34 60.476 -4.708 -13.886 1.00 0.00 N ATOM 509 CA GLY A 34 61.059 -4.830 -15.250 1.00 0.00 C ATOM 510 C GLY A 34 62.427 -4.146 -15.270 1.00 0.00 C ATOM 511 O GLY A 34 63.160 -4.228 -16.234 1.00 0.00 O ATOM 0 H GLY A 34 60.724 -5.457 -13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.159 -5.880 -15.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.398 -4.371 -15.985 1.00 0.00 H new ATOM 515 N ARG A 35 62.776 -3.472 -14.206 1.00 0.00 N ATOM 516 CA ARG A 35 64.096 -2.782 -14.159 1.00 0.00 C ATOM 517 C ARG A 35 65.175 -3.780 -13.734 1.00 0.00 C ATOM 518 O ARG A 35 65.152 -4.306 -12.639 1.00 0.00 O ATOM 519 CB ARG A 35 64.036 -1.635 -13.149 1.00 0.00 C ATOM 520 CG ARG A 35 63.926 -0.302 -13.892 1.00 0.00 C ATOM 521 CD ARG A 35 65.255 0.448 -13.794 1.00 0.00 C ATOM 522 NE ARG A 35 65.255 1.590 -14.753 1.00 0.00 N ATOM 523 CZ ARG A 35 64.618 2.693 -14.461 1.00 0.00 C ATOM 524 NH1 ARG A 35 63.978 2.801 -13.328 1.00 0.00 N ATOM 525 NH2 ARG A 35 64.625 3.689 -15.304 1.00 0.00 N ATOM 0 H ARG A 35 62.203 -3.370 -13.368 1.00 0.00 H new ATOM 0 HA ARG A 35 64.335 -2.384 -15.145 1.00 0.00 H new ATOM 0 HB2 ARG A 35 63.181 -1.765 -12.486 1.00 0.00 H new ATOM 0 HB3 ARG A 35 64.928 -1.641 -12.523 1.00 0.00 H new ATOM 0 HG2 ARG A 35 63.671 -0.476 -14.937 1.00 0.00 H new ATOM 0 HG3 ARG A 35 63.124 0.300 -13.464 1.00 0.00 H new ATOM 0 HD2 ARG A 35 65.404 0.813 -12.778 1.00 0.00 H new ATOM 0 HD3 ARG A 35 66.082 -0.226 -14.015 1.00 0.00 H new ATOM 0 HE ARG A 35 65.754 1.510 -15.639 1.00 0.00 H new ATOM 0 HH11 ARG A 35 63.974 2.023 -12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 35 63.482 3.663 -13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 35 65.127 3.605 -16.188 1.00 0.00 H new ATOM 0 HH22 ARG A 35 64.129 4.551 -15.079 1.00 0.00 H new ATOM 539 N LYS A 36 66.121 -4.048 -14.593 1.00 0.00 N ATOM 540 CA LYS A 36 67.197 -5.016 -14.235 1.00 0.00 C ATOM 541 C LYS A 36 68.247 -4.321 -13.364 1.00 0.00 C ATOM 542 O LYS A 36 69.261 -4.897 -13.022 1.00 0.00 O ATOM 543 CB LYS A 36 67.856 -5.538 -15.514 1.00 0.00 C ATOM 544 CG LYS A 36 68.066 -7.049 -15.401 1.00 0.00 C ATOM 545 CD LYS A 36 67.202 -7.766 -16.441 1.00 0.00 C ATOM 546 CE LYS A 36 68.097 -8.591 -17.369 1.00 0.00 C ATOM 547 NZ LYS A 36 68.192 -7.920 -18.697 1.00 0.00 N ATOM 0 H LYS A 36 66.195 -3.640 -15.525 1.00 0.00 H new ATOM 0 HA LYS A 36 66.765 -5.849 -13.681 1.00 0.00 H new ATOM 0 HB2 LYS A 36 67.230 -5.311 -16.377 1.00 0.00 H new ATOM 0 HB3 LYS A 36 68.812 -5.038 -15.673 1.00 0.00 H new ATOM 0 HG2 LYS A 36 69.117 -7.293 -15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 67.804 -7.389 -14.399 1.00 0.00 H new ATOM 0 HD2 LYS A 36 66.480 -8.414 -15.945 1.00 0.00 H new ATOM 0 HD3 LYS A 36 66.633 -7.039 -17.020 1.00 0.00 H new ATOM 0 HE2 LYS A 36 69.090 -8.698 -16.932 1.00 0.00 H new ATOM 0 HE3 LYS A 36 67.690 -9.595 -17.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 68.800 -8.481 -19.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 67.243 -7.839 -19.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 68.599 -6.971 -18.578 1.00 0.00 H new ATOM 561 N ASP A 37 68.013 -3.090 -12.999 1.00 0.00 N ATOM 562 CA ASP A 37 69.003 -2.367 -12.149 1.00 0.00 C ATOM 563 C ASP A 37 68.302 -1.800 -10.913 1.00 0.00 C ATOM 564 O ASP A 37 68.749 -0.837 -10.323 1.00 0.00 O ATOM 565 CB ASP A 37 69.628 -1.224 -12.949 1.00 0.00 C ATOM 566 CG ASP A 37 71.015 -0.909 -12.385 1.00 0.00 C ATOM 567 OD1 ASP A 37 71.092 -0.548 -11.223 1.00 0.00 O ATOM 568 OD2 ASP A 37 71.977 -1.035 -13.125 1.00 0.00 O ATOM 0 H ASP A 37 67.182 -2.555 -13.251 1.00 0.00 H new ATOM 0 HA ASP A 37 69.784 -3.061 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 37 69.705 -1.501 -14.000 1.00 0.00 H new ATOM 0 HB3 ASP A 37 68.993 -0.340 -12.898 1.00 0.00 H new ATOM 573 N ALA A 38 67.209 -2.390 -10.514 1.00 0.00 N ATOM 574 CA ALA A 38 66.489 -1.882 -9.313 1.00 0.00 C ATOM 575 C ALA A 38 67.219 -2.352 -8.055 1.00 0.00 C ATOM 576 O ALA A 38 67.167 -1.719 -7.020 1.00 0.00 O ATOM 577 CB ALA A 38 65.058 -2.422 -9.306 1.00 0.00 C ATOM 0 H ALA A 38 66.784 -3.200 -10.966 1.00 0.00 H new ATOM 0 HA ALA A 38 66.461 -0.793 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA A 38 64.533 -2.049 -8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 38 64.540 -2.091 -10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.080 -3.511 -9.281 1.00 0.00 H new ATOM 583 N VAL A 39 67.906 -3.459 -8.140 1.00 0.00 N ATOM 584 CA VAL A 39 68.646 -3.968 -6.954 1.00 0.00 C ATOM 585 C VAL A 39 69.966 -3.208 -6.822 1.00 0.00 C ATOM 586 O VAL A 39 70.286 -2.674 -5.778 1.00 0.00 O ATOM 587 CB VAL A 39 68.932 -5.459 -7.133 1.00 0.00 C ATOM 588 CG1 VAL A 39 69.580 -6.011 -5.862 1.00 0.00 C ATOM 589 CG2 VAL A 39 67.620 -6.198 -7.398 1.00 0.00 C ATOM 0 H VAL A 39 67.986 -4.032 -8.980 1.00 0.00 H new ATOM 0 HA VAL A 39 68.046 -3.820 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 39 69.608 -5.602 -7.976 1.00 0.00 H new ATOM 0 HG11 VAL A 39 69.784 -7.074 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 70.514 -5.483 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 39 68.904 -5.870 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 39 67.821 -7.262 -7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 39 66.945 -6.055 -6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.157 -5.805 -8.303 1.00 0.00 H new ATOM 599 N ASP A 40 70.734 -3.151 -7.876 1.00 0.00 N ATOM 600 CA ASP A 40 72.030 -2.420 -7.810 1.00 0.00 C ATOM 601 C ASP A 40 71.759 -0.937 -7.562 1.00 0.00 C ATOM 602 O ASP A 40 72.388 -0.311 -6.734 1.00 0.00 O ATOM 603 CB ASP A 40 72.780 -2.586 -9.134 1.00 0.00 C ATOM 604 CG ASP A 40 73.776 -3.740 -9.017 1.00 0.00 C ATOM 605 OD1 ASP A 40 73.368 -4.872 -9.213 1.00 0.00 O ATOM 606 OD2 ASP A 40 74.932 -3.471 -8.731 1.00 0.00 O ATOM 0 H ASP A 40 70.520 -3.578 -8.777 1.00 0.00 H new ATOM 0 HA ASP A 40 72.636 -2.823 -6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 40 72.074 -2.782 -9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.304 -1.664 -9.385 1.00 0.00 H new ATOM 611 N TYR A 41 70.824 -0.370 -8.273 1.00 0.00 N ATOM 612 CA TYR A 41 70.509 1.072 -8.079 1.00 0.00 C ATOM 613 C TYR A 41 70.143 1.319 -6.614 1.00 0.00 C ATOM 614 O TYR A 41 70.765 2.111 -5.935 1.00 0.00 O ATOM 615 CB TYR A 41 69.330 1.462 -8.972 1.00 0.00 C ATOM 616 CG TYR A 41 69.011 2.924 -8.777 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.038 3.876 -8.799 1.00 0.00 C ATOM 618 CD2 TYR A 41 67.686 3.329 -8.574 1.00 0.00 C ATOM 619 CE1 TYR A 41 69.739 5.233 -8.618 1.00 0.00 C ATOM 620 CE2 TYR A 41 67.387 4.684 -8.392 1.00 0.00 C ATOM 621 CZ TYR A 41 68.413 5.636 -8.415 1.00 0.00 C ATOM 622 OH TYR A 41 68.119 6.973 -8.236 1.00 0.00 O ATOM 0 H TYR A 41 70.264 -0.845 -8.981 1.00 0.00 H new ATOM 0 HA TYR A 41 71.379 1.673 -8.344 1.00 0.00 H new ATOM 0 HB2 TYR A 41 69.572 1.268 -10.017 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.459 0.853 -8.729 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.060 3.564 -8.955 1.00 0.00 H new ATOM 0 HD2 TYR A 41 66.894 2.595 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 41 70.530 5.968 -8.635 1.00 0.00 H new ATOM 0 HE2 TYR A 41 66.365 4.995 -8.234 1.00 0.00 H new ATOM 0 HH TYR A 41 67.390 7.231 -8.838 1.00 0.00 H new ATOM 632 N LEU A 42 69.138 0.648 -6.122 1.00 0.00 N ATOM 633 CA LEU A 42 68.739 0.847 -4.700 1.00 0.00 C ATOM 634 C LEU A 42 69.982 0.792 -3.813 1.00 0.00 C ATOM 635 O LEU A 42 70.332 1.751 -3.154 1.00 0.00 O ATOM 636 CB LEU A 42 67.761 -0.254 -4.285 1.00 0.00 C ATOM 637 CG LEU A 42 66.422 -0.044 -4.995 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.601 -1.333 -4.937 1.00 0.00 C ATOM 639 CD2 LEU A 42 65.650 1.082 -4.303 1.00 0.00 C ATOM 0 H LEU A 42 68.577 -0.028 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 42 68.256 1.818 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.169 -1.232 -4.539 1.00 0.00 H new ATOM 0 HB3 LEU A 42 67.618 -0.239 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 42 66.603 0.223 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.648 -1.180 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.149 -2.136 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.420 -1.603 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 42 64.696 1.233 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.471 0.814 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.232 2.002 -4.346 1.00 0.00 H new ATOM 651 N ALA A 43 70.651 -0.325 -3.795 1.00 0.00 N ATOM 652 CA ALA A 43 71.876 -0.451 -2.954 1.00 0.00 C ATOM 653 C ALA A 43 72.725 0.813 -3.094 1.00 0.00 C ATOM 654 O ALA A 43 73.279 1.311 -2.134 1.00 0.00 O ATOM 655 CB ALA A 43 72.689 -1.662 -3.413 1.00 0.00 C ATOM 0 H ALA A 43 70.403 -1.159 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 43 71.586 -0.581 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.584 -1.754 -2.798 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.086 -2.564 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 43 72.977 -1.533 -4.456 1.00 0.00 H new ATOM 661 N GLY A 44 72.831 1.338 -4.283 1.00 0.00 N ATOM 662 CA GLY A 44 73.643 2.571 -4.483 1.00 0.00 C ATOM 663 C GLY A 44 73.096 3.689 -3.596 1.00 0.00 C ATOM 664 O GLY A 44 73.822 4.315 -2.849 1.00 0.00 O ATOM 0 H GLY A 44 72.391 0.967 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.687 2.376 -4.238 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.612 2.874 -5.530 1.00 0.00 H new ATOM 668 N LYS A 45 71.819 3.946 -3.670 1.00 0.00 N ATOM 669 CA LYS A 45 71.225 5.023 -2.831 1.00 0.00 C ATOM 670 C LYS A 45 71.077 4.529 -1.391 1.00 0.00 C ATOM 671 O LYS A 45 70.663 5.260 -0.513 1.00 0.00 O ATOM 672 CB LYS A 45 69.848 5.395 -3.383 1.00 0.00 C ATOM 673 CG LYS A 45 69.765 6.911 -3.567 1.00 0.00 C ATOM 674 CD LYS A 45 70.210 7.278 -4.984 1.00 0.00 C ATOM 675 CE LYS A 45 70.872 8.657 -4.972 1.00 0.00 C ATOM 676 NZ LYS A 45 69.831 9.708 -5.142 1.00 0.00 N ATOM 0 H LYS A 45 71.161 3.456 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 45 71.876 5.897 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 45 69.678 4.893 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.068 5.057 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 45 68.745 7.254 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.398 7.412 -2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 45 70.908 6.531 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 45 69.352 7.281 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.406 8.808 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.608 8.726 -5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 70.168 10.600 -4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 69.640 9.847 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 68.957 9.412 -4.663 1.00 0.00 H new ATOM 690 N ILE A 46 71.410 3.292 -1.139 1.00 0.00 N ATOM 691 CA ILE A 46 71.285 2.755 0.244 1.00 0.00 C ATOM 692 C ILE A 46 72.550 3.090 1.037 1.00 0.00 C ATOM 693 O ILE A 46 72.491 3.455 2.194 1.00 0.00 O ATOM 694 CB ILE A 46 71.105 1.235 0.182 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.681 0.910 -0.274 1.00 0.00 C ATOM 696 CG2 ILE A 46 71.344 0.627 1.566 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.486 -0.607 -0.296 1.00 0.00 C ATOM 0 H ILE A 46 71.763 2.631 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 46 70.422 3.204 0.735 1.00 0.00 H new ATOM 0 HB ILE A 46 71.822 0.817 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.958 1.371 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.502 1.325 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 46 71.215 -0.454 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 46 72.358 0.856 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.630 1.045 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.472 -0.839 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.200 -1.056 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.648 -1.009 0.704 1.00 0.00 H new ATOM 709 N LYS A 47 73.695 2.965 0.425 1.00 0.00 N ATOM 710 CA LYS A 47 74.962 3.272 1.145 1.00 0.00 C ATOM 711 C LYS A 47 75.371 4.722 0.868 1.00 0.00 C ATOM 712 O LYS A 47 76.291 5.240 1.467 1.00 0.00 O ATOM 713 CB LYS A 47 76.063 2.329 0.657 1.00 0.00 C ATOM 714 CG LYS A 47 76.700 1.622 1.856 1.00 0.00 C ATOM 715 CD LYS A 47 78.196 1.431 1.599 1.00 0.00 C ATOM 716 CE LYS A 47 78.992 2.422 2.450 1.00 0.00 C ATOM 717 NZ LYS A 47 80.449 2.145 2.300 1.00 0.00 N ATOM 0 H LYS A 47 73.808 2.663 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 47 74.814 3.137 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.648 1.594 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.820 2.890 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.548 2.210 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.222 0.656 2.019 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.490 0.410 1.841 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.416 1.584 0.543 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.771 3.444 2.140 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.700 2.336 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.992 2.818 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.652 1.175 2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.721 2.248 1.302 1.00 0.00 H new ATOM 731 N LYS A 48 74.695 5.378 -0.035 1.00 0.00 N ATOM 732 CA LYS A 48 75.050 6.792 -0.347 1.00 0.00 C ATOM 733 C LYS A 48 73.865 7.706 -0.025 1.00 0.00 C ATOM 734 O LYS A 48 73.994 8.913 0.018 1.00 0.00 O ATOM 735 CB LYS A 48 75.397 6.912 -1.834 1.00 0.00 C ATOM 736 CG LYS A 48 76.761 7.588 -1.988 1.00 0.00 C ATOM 737 CD LYS A 48 76.563 9.080 -2.262 1.00 0.00 C ATOM 738 CE LYS A 48 77.680 9.879 -1.586 1.00 0.00 C ATOM 739 NZ LYS A 48 77.165 10.481 -0.323 1.00 0.00 N ATOM 0 H LYS A 48 73.914 4.997 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 48 75.908 7.090 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.415 5.924 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.632 7.491 -2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.352 7.449 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.317 7.128 -2.805 1.00 0.00 H new ATOM 0 HD2 LYS A 48 76.567 9.267 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.592 9.403 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 48 78.529 9.229 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 48 78.038 10.661 -2.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 77.923 11.024 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 76.368 11.114 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 76.844 9.726 0.316 1.00 0.00 H new ATOM 753 N GLY A 49 72.709 7.142 0.201 1.00 0.00 N ATOM 754 CA GLY A 49 71.520 7.983 0.517 1.00 0.00 C ATOM 755 C GLY A 49 71.409 9.113 -0.508 1.00 0.00 C ATOM 756 O GLY A 49 71.616 8.914 -1.688 1.00 0.00 O ATOM 0 H GLY A 49 72.537 6.137 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.616 7.374 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.610 8.396 1.522 1.00 0.00 H new ATOM 760 N GLY A 50 71.086 10.299 -0.068 1.00 0.00 N ATOM 761 CA GLY A 50 70.964 11.440 -1.022 1.00 0.00 C ATOM 762 C GLY A 50 69.527 11.963 -1.018 1.00 0.00 C ATOM 763 O GLY A 50 68.813 11.834 -0.045 1.00 0.00 O ATOM 0 H GLY A 50 70.902 10.528 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.652 12.237 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 50 71.242 11.119 -2.026 1.00 0.00 H new ATOM 767 N SER A 51 69.095 12.552 -2.099 1.00 0.00 N ATOM 768 CA SER A 51 67.706 13.081 -2.154 1.00 0.00 C ATOM 769 C SER A 51 67.400 13.576 -3.569 1.00 0.00 C ATOM 770 O SER A 51 68.250 14.126 -4.242 1.00 0.00 O ATOM 771 CB SER A 51 67.561 14.240 -1.166 1.00 0.00 C ATOM 772 OG SER A 51 68.846 14.779 -0.885 1.00 0.00 O ATOM 0 H SER A 51 69.646 12.689 -2.947 1.00 0.00 H new ATOM 0 HA SER A 51 67.007 12.288 -1.889 1.00 0.00 H new ATOM 0 HB2 SER A 51 66.914 15.011 -1.584 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.090 13.893 -0.246 1.00 0.00 H new ATOM 0 HG SER A 51 68.758 15.523 -0.253 1.00 0.00 H new ATOM 778 N GLY A 52 66.192 13.386 -4.027 1.00 0.00 N ATOM 779 CA GLY A 52 65.833 13.846 -5.397 1.00 0.00 C ATOM 780 C GLY A 52 65.180 12.697 -6.163 1.00 0.00 C ATOM 781 O GLY A 52 64.561 12.894 -7.190 1.00 0.00 O ATOM 0 H GLY A 52 65.439 12.932 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.151 14.694 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.724 14.188 -5.923 1.00 0.00 H new ATOM 785 N VAL A 53 65.313 11.497 -5.671 1.00 0.00 N ATOM 786 CA VAL A 53 64.702 10.332 -6.369 1.00 0.00 C ATOM 787 C VAL A 53 63.314 10.058 -5.786 1.00 0.00 C ATOM 788 O VAL A 53 62.469 9.462 -6.424 1.00 0.00 O ATOM 789 CB VAL A 53 65.590 9.102 -6.177 1.00 0.00 C ATOM 790 CG1 VAL A 53 65.155 8.001 -7.145 1.00 0.00 C ATOM 791 CG2 VAL A 53 67.046 9.479 -6.456 1.00 0.00 C ATOM 0 H VAL A 53 65.819 11.273 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 53 64.610 10.551 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 53 65.496 8.742 -5.153 1.00 0.00 H new ATOM 0 HG11 VAL A 53 65.788 7.125 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 53 64.117 7.733 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 53 65.249 8.360 -8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 53 67.681 8.604 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 53 67.139 9.839 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 53 67.357 10.264 -5.767 1.00 0.00 H new ATOM 801 N TRP A 54 63.072 10.490 -4.578 1.00 0.00 N ATOM 802 CA TRP A 54 61.738 10.255 -3.956 1.00 0.00 C ATOM 803 C TRP A 54 61.220 11.559 -3.347 1.00 0.00 C ATOM 804 O TRP A 54 60.364 11.554 -2.485 1.00 0.00 O ATOM 805 CB TRP A 54 61.865 9.198 -2.857 1.00 0.00 C ATOM 806 CG TRP A 54 61.963 7.842 -3.478 1.00 0.00 C ATOM 807 CD1 TRP A 54 63.119 7.191 -3.741 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.887 6.962 -3.917 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.822 5.967 -4.313 1.00 0.00 N ATOM 810 CE2 TRP A 54 61.459 5.779 -4.443 1.00 0.00 C ATOM 811 CE3 TRP A 54 59.485 7.074 -3.910 1.00 0.00 C ATOM 812 CZ2 TRP A 54 60.669 4.744 -4.943 1.00 0.00 C ATOM 813 CZ3 TRP A 54 58.685 6.034 -4.414 1.00 0.00 C ATOM 814 CH2 TRP A 54 59.277 4.872 -4.928 1.00 0.00 C ATOM 0 H TRP A 54 63.740 10.995 -3.996 1.00 0.00 H new ATOM 0 HA TRP A 54 61.041 9.907 -4.718 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.747 9.395 -2.248 1.00 0.00 H new ATOM 0 HB3 TRP A 54 61.002 9.244 -2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 54 64.111 7.565 -3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 54 63.524 5.286 -4.603 1.00 0.00 H new ATOM 0 HE3 TRP A 54 59.020 7.965 -3.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 61.129 3.851 -5.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 57.609 6.131 -4.405 1.00 0.00 H new ATOM 0 HH2 TRP A 54 58.657 4.075 -5.313 1.00 0.00 H new ATOM 825 N GLY A 55 61.729 12.677 -3.787 1.00 0.00 N ATOM 826 CA GLY A 55 61.261 13.977 -3.229 1.00 0.00 C ATOM 827 C GLY A 55 62.467 14.844 -2.866 1.00 0.00 C ATOM 828 O GLY A 55 63.393 14.994 -3.639 1.00 0.00 O ATOM 0 H GLY A 55 62.448 12.746 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.636 14.493 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.645 13.805 -2.346 1.00 0.00 H new ATOM 832 N SER A 56 62.465 15.420 -1.693 1.00 0.00 N ATOM 833 CA SER A 56 63.612 16.277 -1.282 1.00 0.00 C ATOM 834 C SER A 56 64.134 15.818 0.083 1.00 0.00 C ATOM 835 O SER A 56 65.087 16.358 0.608 1.00 0.00 O ATOM 836 CB SER A 56 63.150 17.737 -1.201 1.00 0.00 C ATOM 837 OG SER A 56 63.309 18.217 0.129 1.00 0.00 O ATOM 0 H SER A 56 61.719 15.333 -1.003 1.00 0.00 H new ATOM 0 HA SER A 56 64.414 16.192 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.729 18.351 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 56 62.106 17.816 -1.504 1.00 0.00 H new ATOM 0 HG SER A 56 63.015 19.150 0.177 1.00 0.00 H new ATOM 843 N VAL A 57 63.517 14.825 0.664 1.00 0.00 N ATOM 844 CA VAL A 57 63.979 14.335 1.992 1.00 0.00 C ATOM 845 C VAL A 57 65.380 13.721 1.851 1.00 0.00 C ATOM 846 O VAL A 57 65.540 12.703 1.209 1.00 0.00 O ATOM 847 CB VAL A 57 63.008 13.270 2.503 1.00 0.00 C ATOM 848 CG1 VAL A 57 63.423 12.833 3.909 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.595 13.851 2.547 1.00 0.00 C ATOM 0 H VAL A 57 62.713 14.332 0.275 1.00 0.00 H new ATOM 0 HA VAL A 57 64.015 15.166 2.696 1.00 0.00 H new ATOM 0 HB VAL A 57 63.028 12.409 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.731 12.074 4.273 1.00 0.00 H new ATOM 0 HG12 VAL A 57 64.431 12.420 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.403 13.693 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 57 60.901 13.093 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.576 14.712 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.299 14.163 1.546 1.00 0.00 H new ATOM 859 N PRO A 58 66.354 14.357 2.455 1.00 0.00 N ATOM 860 CA PRO A 58 67.751 13.888 2.410 1.00 0.00 C ATOM 861 C PRO A 58 67.965 12.729 3.389 1.00 0.00 C ATOM 862 O PRO A 58 67.930 12.907 4.591 1.00 0.00 O ATOM 863 CB PRO A 58 68.556 15.118 2.842 1.00 0.00 C ATOM 864 CG PRO A 58 67.584 16.014 3.645 1.00 0.00 C ATOM 865 CD PRO A 58 66.159 15.595 3.237 1.00 0.00 C ATOM 0 HA PRO A 58 68.042 13.512 1.429 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.411 14.828 3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 58 68.949 15.650 1.975 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.734 15.884 4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.756 17.067 3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.530 15.419 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.671 16.368 2.643 1.00 0.00 H new ATOM 873 N MET A 59 68.192 11.545 2.887 1.00 0.00 N ATOM 874 CA MET A 59 68.415 10.382 3.793 1.00 0.00 C ATOM 875 C MET A 59 69.916 10.258 4.086 1.00 0.00 C ATOM 876 O MET A 59 70.727 10.356 3.186 1.00 0.00 O ATOM 877 CB MET A 59 67.916 9.102 3.115 1.00 0.00 C ATOM 878 CG MET A 59 68.432 7.875 3.872 1.00 0.00 C ATOM 879 SD MET A 59 69.411 6.842 2.753 1.00 0.00 S ATOM 880 CE MET A 59 69.542 5.397 3.835 1.00 0.00 C ATOM 0 H MET A 59 68.233 11.333 1.890 1.00 0.00 H new ATOM 0 HA MET A 59 67.869 10.530 4.725 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.826 9.094 3.092 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.257 9.072 2.080 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.040 8.188 4.721 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.595 7.303 4.273 1.00 0.00 H new ATOM 0 HE1 MET A 59 70.528 4.947 3.723 1.00 0.00 H new ATOM 0 HE2 MET A 59 69.399 5.704 4.871 1.00 0.00 H new ATOM 0 HE3 MET A 59 68.778 4.669 3.564 1.00 0.00 H new ATOM 890 N PRO A 60 70.243 10.047 5.337 1.00 0.00 N ATOM 891 CA PRO A 60 71.643 9.908 5.776 1.00 0.00 C ATOM 892 C PRO A 60 72.168 8.507 5.447 1.00 0.00 C ATOM 893 O PRO A 60 71.400 7.574 5.319 1.00 0.00 O ATOM 894 CB PRO A 60 71.569 10.121 7.290 1.00 0.00 C ATOM 895 CG PRO A 60 70.113 9.804 7.704 1.00 0.00 C ATOM 896 CD PRO A 60 69.254 9.927 6.430 1.00 0.00 C ATOM 0 HA PRO A 60 72.318 10.609 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 60 72.271 9.469 7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.833 11.146 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 60 70.040 8.801 8.125 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.769 10.498 8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.615 9.055 6.295 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.600 10.798 6.473 1.00 0.00 H new ATOM 904 N PRO A 61 73.466 8.405 5.317 1.00 0.00 N ATOM 905 CA PRO A 61 74.136 7.131 4.997 1.00 0.00 C ATOM 906 C PRO A 61 74.241 6.252 6.249 1.00 0.00 C ATOM 907 O PRO A 61 74.486 6.732 7.338 1.00 0.00 O ATOM 908 CB PRO A 61 75.524 7.565 4.521 1.00 0.00 C ATOM 909 CG PRO A 61 75.772 8.971 5.121 1.00 0.00 C ATOM 910 CD PRO A 61 74.388 9.550 5.473 1.00 0.00 C ATOM 0 HA PRO A 61 73.600 6.540 4.254 1.00 0.00 H new ATOM 0 HB2 PRO A 61 76.286 6.861 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.570 7.594 3.432 1.00 0.00 H new ATOM 0 HG2 PRO A 61 76.403 8.908 6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 61 76.290 9.611 4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 61 74.367 9.942 6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 61 74.119 10.371 4.809 1.00 0.00 H new ATOM 918 N GLN A 62 74.059 4.970 6.098 1.00 0.00 N ATOM 919 CA GLN A 62 74.150 4.060 7.274 1.00 0.00 C ATOM 920 C GLN A 62 75.390 3.174 7.134 1.00 0.00 C ATOM 921 O GLN A 62 76.087 3.220 6.139 1.00 0.00 O ATOM 922 CB GLN A 62 72.900 3.180 7.329 1.00 0.00 C ATOM 923 CG GLN A 62 71.684 3.989 6.874 1.00 0.00 C ATOM 924 CD GLN A 62 71.400 5.101 7.885 1.00 0.00 C ATOM 925 OE1 GLN A 62 72.179 5.332 8.788 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.305 5.802 7.772 1.00 0.00 N ATOM 0 H GLN A 62 73.851 4.512 5.210 1.00 0.00 H new ATOM 0 HA GLN A 62 74.224 4.648 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 62 73.029 2.307 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.746 2.812 8.343 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.868 4.418 5.889 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.815 3.337 6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.651 5.608 7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.103 6.544 8.442 1.00 0.00 H new ATOM 935 N ASN A 63 75.670 2.365 8.119 1.00 0.00 N ATOM 936 CA ASN A 63 76.863 1.477 8.037 1.00 0.00 C ATOM 937 C ASN A 63 76.416 0.057 7.683 1.00 0.00 C ATOM 938 O ASN A 63 76.627 -0.875 8.433 1.00 0.00 O ATOM 939 CB ASN A 63 77.588 1.463 9.384 1.00 0.00 C ATOM 940 CG ASN A 63 76.607 1.071 10.490 1.00 0.00 C ATOM 941 OD1 ASN A 63 75.990 2.005 11.161 1.00 0.00 O flip ATOM 942 ND2 ASN A 63 76.398 -0.099 10.749 1.00 0.00 N flip ATOM 0 H ASN A 63 75.124 2.281 8.977 1.00 0.00 H new ATOM 0 HA ASN A 63 77.539 1.849 7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 63 78.419 0.758 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 63 78.011 2.446 9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 63 76.879 -0.831 10.226 1.00 0.00 H new ATOM 0 HD22 ASN A 63 75.742 -0.348 11.489 1.00 0.00 H new ATOM 949 N VAL A 64 75.798 -0.115 6.545 1.00 0.00 N ATOM 950 CA VAL A 64 75.339 -1.475 6.145 1.00 0.00 C ATOM 951 C VAL A 64 76.438 -2.165 5.337 1.00 0.00 C ATOM 952 O VAL A 64 77.223 -1.526 4.666 1.00 0.00 O ATOM 953 CB VAL A 64 74.078 -1.359 5.289 1.00 0.00 C ATOM 954 CG1 VAL A 64 72.895 -0.958 6.170 1.00 0.00 C ATOM 955 CG2 VAL A 64 74.292 -0.295 4.209 1.00 0.00 C ATOM 0 H VAL A 64 75.592 0.627 5.876 1.00 0.00 H new ATOM 0 HA VAL A 64 75.119 -2.060 7.038 1.00 0.00 H new ATOM 0 HB VAL A 64 73.870 -2.320 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.997 -0.876 5.558 1.00 0.00 H new ATOM 0 HG12 VAL A 64 72.742 -1.714 6.940 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.102 0.003 6.642 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.393 -0.211 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.501 0.665 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 64 75.134 -0.581 3.579 1.00 0.00 H new ATOM 965 N THR A 65 76.497 -3.468 5.390 1.00 0.00 N ATOM 966 CA THR A 65 77.543 -4.195 4.619 1.00 0.00 C ATOM 967 C THR A 65 77.091 -4.326 3.164 1.00 0.00 C ATOM 968 O THR A 65 75.914 -4.323 2.870 1.00 0.00 O ATOM 969 CB THR A 65 77.749 -5.588 5.221 1.00 0.00 C ATOM 970 OG1 THR A 65 76.993 -5.701 6.419 1.00 0.00 O ATOM 971 CG2 THR A 65 79.233 -5.795 5.528 1.00 0.00 C ATOM 0 H THR A 65 75.867 -4.059 5.933 1.00 0.00 H new ATOM 0 HA THR A 65 78.482 -3.644 4.663 1.00 0.00 H new ATOM 0 HB THR A 65 77.418 -6.346 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 65 77.122 -6.593 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 65 79.381 -6.786 5.957 1.00 0.00 H new ATOM 0 HG22 THR A 65 79.811 -5.708 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 65 79.566 -5.039 6.239 1.00 0.00 H new ATOM 979 N ASP A 66 78.015 -4.432 2.249 1.00 0.00 N ATOM 980 CA ASP A 66 77.628 -4.553 0.816 1.00 0.00 C ATOM 981 C ASP A 66 76.558 -5.634 0.661 1.00 0.00 C ATOM 982 O ASP A 66 75.414 -5.350 0.366 1.00 0.00 O ATOM 983 CB ASP A 66 78.858 -4.927 -0.015 1.00 0.00 C ATOM 984 CG ASP A 66 80.015 -3.989 0.334 1.00 0.00 C ATOM 985 OD1 ASP A 66 79.760 -2.971 0.954 1.00 0.00 O ATOM 986 OD2 ASP A 66 81.137 -4.305 -0.027 1.00 0.00 O ATOM 0 H ASP A 66 79.019 -4.440 2.431 1.00 0.00 H new ATOM 0 HA ASP A 66 77.230 -3.600 0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.142 -5.961 0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.627 -4.857 -1.078 1.00 0.00 H new ATOM 991 N ALA A 67 76.917 -6.872 0.851 1.00 0.00 N ATOM 992 CA ALA A 67 75.917 -7.966 0.710 1.00 0.00 C ATOM 993 C ALA A 67 74.630 -7.580 1.442 1.00 0.00 C ATOM 994 O ALA A 67 73.551 -8.017 1.094 1.00 0.00 O ATOM 995 CB ALA A 67 76.480 -9.254 1.314 1.00 0.00 C ATOM 0 H ALA A 67 77.860 -7.174 1.098 1.00 0.00 H new ATOM 0 HA ALA A 67 75.700 -8.124 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.748 -10.055 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.396 -9.530 0.792 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.698 -9.096 2.370 1.00 0.00 H new ATOM 1001 N GLU A 68 74.735 -6.767 2.458 1.00 0.00 N ATOM 1002 CA GLU A 68 73.521 -6.360 3.214 1.00 0.00 C ATOM 1003 C GLU A 68 72.609 -5.516 2.321 1.00 0.00 C ATOM 1004 O GLU A 68 71.444 -5.813 2.150 1.00 0.00 O ATOM 1005 CB GLU A 68 73.930 -5.543 4.440 1.00 0.00 C ATOM 1006 CG GLU A 68 73.530 -6.296 5.711 1.00 0.00 C ATOM 1007 CD GLU A 68 72.319 -5.615 6.348 1.00 0.00 C ATOM 1008 OE1 GLU A 68 72.505 -4.589 6.981 1.00 0.00 O ATOM 1009 OE2 GLU A 68 71.224 -6.131 6.192 1.00 0.00 O ATOM 0 H GLU A 68 75.611 -6.368 2.796 1.00 0.00 H new ATOM 0 HA GLU A 68 72.984 -7.253 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 68 75.006 -5.368 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 68 73.448 -4.566 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 68 73.294 -7.333 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 68 74.363 -6.312 6.414 1.00 0.00 H new ATOM 1016 N ALA A 69 73.130 -4.466 1.754 1.00 0.00 N ATOM 1017 CA ALA A 69 72.290 -3.603 0.875 1.00 0.00 C ATOM 1018 C ALA A 69 71.678 -4.455 -0.235 1.00 0.00 C ATOM 1019 O ALA A 69 70.564 -4.227 -0.666 1.00 0.00 O ATOM 1020 CB ALA A 69 73.156 -2.503 0.259 1.00 0.00 C ATOM 0 H ALA A 69 74.099 -4.167 1.860 1.00 0.00 H new ATOM 0 HA ALA A 69 71.494 -3.147 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.541 -1.873 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.592 -1.896 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 69 73.953 -2.955 -0.332 1.00 0.00 H new ATOM 1026 N LYS A 70 72.397 -5.436 -0.701 1.00 0.00 N ATOM 1027 CA LYS A 70 71.863 -6.306 -1.782 1.00 0.00 C ATOM 1028 C LYS A 70 70.633 -7.059 -1.272 1.00 0.00 C ATOM 1029 O LYS A 70 69.596 -7.067 -1.901 1.00 0.00 O ATOM 1030 CB LYS A 70 72.938 -7.310 -2.206 1.00 0.00 C ATOM 1031 CG LYS A 70 73.865 -6.665 -3.239 1.00 0.00 C ATOM 1032 CD LYS A 70 74.325 -7.723 -4.244 1.00 0.00 C ATOM 1033 CE LYS A 70 75.606 -7.249 -4.933 1.00 0.00 C ATOM 1034 NZ LYS A 70 75.353 -7.087 -6.392 1.00 0.00 N ATOM 0 H LYS A 70 73.335 -5.673 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 70 71.582 -5.691 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.513 -7.631 -1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.472 -8.201 -2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 70 73.345 -5.859 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 70 74.728 -6.221 -2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.502 -8.671 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.545 -7.900 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 70 75.935 -6.303 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 70 76.408 -7.969 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 76.223 -6.765 -6.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 75.058 -7.999 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 74.600 -6.384 -6.538 1.00 0.00 H new ATOM 1048 N GLN A 71 70.741 -7.696 -0.138 1.00 0.00 N ATOM 1049 CA GLN A 71 69.581 -8.452 0.410 1.00 0.00 C ATOM 1050 C GLN A 71 68.447 -7.487 0.750 1.00 0.00 C ATOM 1051 O GLN A 71 67.303 -7.875 0.842 1.00 0.00 O ATOM 1052 CB GLN A 71 70.016 -9.202 1.675 1.00 0.00 C ATOM 1053 CG GLN A 71 68.783 -9.671 2.455 1.00 0.00 C ATOM 1054 CD GLN A 71 68.595 -8.788 3.692 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.339 -8.896 4.645 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.626 -7.909 3.718 1.00 0.00 N ATOM 0 H GLN A 71 71.585 -7.725 0.434 1.00 0.00 H new ATOM 0 HA GLN A 71 69.230 -9.166 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.634 -10.059 1.406 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.627 -8.552 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.898 -9.621 1.821 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.903 -10.713 2.753 1.00 0.00 H new ATOM 0 HE21 GLN A 71 67.000 -7.817 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.497 -7.316 4.538 1.00 0.00 H new ATOM 1065 N LEU A 72 68.748 -6.234 0.941 1.00 0.00 N ATOM 1066 CA LEU A 72 67.668 -5.264 1.277 1.00 0.00 C ATOM 1067 C LEU A 72 66.861 -4.935 0.022 1.00 0.00 C ATOM 1068 O LEU A 72 65.660 -4.762 0.077 1.00 0.00 O ATOM 1069 CB LEU A 72 68.286 -3.982 1.840 1.00 0.00 C ATOM 1070 CG LEU A 72 68.728 -4.219 3.285 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.628 -3.068 3.739 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.496 -4.289 4.189 1.00 0.00 C ATOM 0 H LEU A 72 69.687 -5.841 0.880 1.00 0.00 H new ATOM 0 HA LEU A 72 67.008 -5.706 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.139 -3.680 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.562 -3.168 1.799 1.00 0.00 H new ATOM 0 HG LEU A 72 69.279 -5.157 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 72 69.943 -3.237 4.769 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.506 -3.017 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.077 -2.129 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.810 -4.458 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 72 66.945 -3.350 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.854 -5.109 3.866 1.00 0.00 H new ATOM 1084 N ALA A 73 67.503 -4.847 -1.108 1.00 0.00 N ATOM 1085 CA ALA A 73 66.754 -4.532 -2.356 1.00 0.00 C ATOM 1086 C ALA A 73 66.028 -5.789 -2.836 1.00 0.00 C ATOM 1087 O ALA A 73 64.873 -5.746 -3.212 1.00 0.00 O ATOM 1088 CB ALA A 73 67.730 -4.056 -3.434 1.00 0.00 C ATOM 0 H ALA A 73 68.508 -4.979 -1.222 1.00 0.00 H new ATOM 0 HA ALA A 73 66.027 -3.744 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.180 -3.826 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.248 -3.162 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.459 -4.841 -3.637 1.00 0.00 H new ATOM 1094 N GLN A 74 66.694 -6.909 -2.819 1.00 0.00 N ATOM 1095 CA GLN A 74 66.040 -8.169 -3.264 1.00 0.00 C ATOM 1096 C GLN A 74 64.950 -8.549 -2.262 1.00 0.00 C ATOM 1097 O GLN A 74 63.939 -9.123 -2.615 1.00 0.00 O ATOM 1098 CB GLN A 74 67.081 -9.288 -3.338 1.00 0.00 C ATOM 1099 CG GLN A 74 67.623 -9.388 -4.765 1.00 0.00 C ATOM 1100 CD GLN A 74 69.102 -9.780 -4.725 1.00 0.00 C ATOM 1101 OE1 GLN A 74 69.859 -9.257 -3.932 1.00 0.00 O ATOM 1102 NE2 GLN A 74 69.546 -10.685 -5.553 1.00 0.00 N ATOM 0 H GLN A 74 67.663 -7.006 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 74 65.598 -8.024 -4.250 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.895 -9.088 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.633 -10.236 -3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.055 -10.128 -5.330 1.00 0.00 H new ATOM 0 HG3 GLN A 74 67.503 -8.434 -5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 74 68.909 -11.124 -6.218 1.00 0.00 H new ATOM 0 HE22 GLN A 74 70.530 -10.954 -5.535 1.00 0.00 H new ATOM 1111 N TRP A 75 65.146 -8.231 -1.010 1.00 0.00 N ATOM 1112 CA TRP A 75 64.117 -8.574 0.013 1.00 0.00 C ATOM 1113 C TRP A 75 62.900 -7.660 -0.171 1.00 0.00 C ATOM 1114 O TRP A 75 61.771 -8.110 -0.176 1.00 0.00 O ATOM 1115 CB TRP A 75 64.716 -8.382 1.414 1.00 0.00 C ATOM 1116 CG TRP A 75 63.628 -8.187 2.423 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.598 -9.036 2.641 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.451 -7.080 3.349 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.798 -8.516 3.644 1.00 0.00 N ATOM 1120 CE2 TRP A 75 62.283 -7.311 4.113 1.00 0.00 C ATOM 1121 CE3 TRP A 75 64.186 -5.909 3.594 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.860 -6.409 5.089 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.763 -4.997 4.576 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.601 -5.247 5.322 1.00 0.00 C ATOM 0 H TRP A 75 65.972 -7.750 -0.653 1.00 0.00 H new ATOM 0 HA TRP A 75 63.805 -9.612 -0.103 1.00 0.00 H new ATOM 0 HB2 TRP A 75 65.318 -9.251 1.682 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.382 -7.519 1.417 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.428 -9.966 2.119 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.953 -8.968 3.994 1.00 0.00 H new ATOM 0 HE3 TRP A 75 65.081 -5.708 3.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.966 -6.607 5.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.335 -4.099 4.757 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.280 -4.543 6.075 1.00 0.00 H new ATOM 1135 N ILE A 76 63.118 -6.383 -0.322 1.00 0.00 N ATOM 1136 CA ILE A 76 61.969 -5.452 -0.503 1.00 0.00 C ATOM 1137 C ILE A 76 61.197 -5.836 -1.766 1.00 0.00 C ATOM 1138 O ILE A 76 59.986 -5.742 -1.817 1.00 0.00 O ATOM 1139 CB ILE A 76 62.488 -4.020 -0.634 1.00 0.00 C ATOM 1140 CG1 ILE A 76 62.981 -3.528 0.728 1.00 0.00 C ATOM 1141 CG2 ILE A 76 61.359 -3.110 -1.124 1.00 0.00 C ATOM 1142 CD1 ILE A 76 63.951 -2.362 0.529 1.00 0.00 C ATOM 0 H ILE A 76 64.039 -5.945 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 76 61.307 -5.518 0.360 1.00 0.00 H new ATOM 0 HB ILE A 76 63.311 -3.998 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.136 -3.212 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.476 -4.339 1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 76 61.729 -2.089 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.006 -3.458 -2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 76 60.536 -3.134 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.302 -2.011 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 76 64.801 -2.694 -0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.441 -1.549 0.012 1.00 0.00 H new ATOM 1154 N LEU A 77 61.885 -6.269 -2.786 1.00 0.00 N ATOM 1155 CA LEU A 77 61.185 -6.659 -4.042 1.00 0.00 C ATOM 1156 C LEU A 77 60.303 -7.878 -3.772 1.00 0.00 C ATOM 1157 O LEU A 77 59.153 -7.925 -4.163 1.00 0.00 O ATOM 1158 CB LEU A 77 62.217 -7.009 -5.115 1.00 0.00 C ATOM 1159 CG LEU A 77 63.059 -5.774 -5.436 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.416 -6.214 -5.987 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.335 -4.925 -6.484 1.00 0.00 C ATOM 0 H LEU A 77 62.900 -6.370 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 77 60.569 -5.829 -4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 77 62.858 -7.819 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 77 61.715 -7.364 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 77 63.207 -5.187 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.018 -5.335 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 77 64.931 -6.822 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.268 -6.799 -6.895 1.00 0.00 H new ATOM 0 HD21 LEU A 77 62.933 -4.044 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.189 -5.512 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.366 -4.614 -6.094 1.00 0.00 H new ATOM 1173 N SER A 78 60.834 -8.866 -3.105 1.00 0.00 N ATOM 1174 CA SER A 78 60.031 -10.085 -2.809 1.00 0.00 C ATOM 1175 C SER A 78 58.820 -9.702 -1.955 1.00 0.00 C ATOM 1176 O SER A 78 57.854 -10.432 -1.868 1.00 0.00 O ATOM 1177 CB SER A 78 60.896 -11.088 -2.047 1.00 0.00 C ATOM 1178 OG SER A 78 60.890 -12.331 -2.737 1.00 0.00 O ATOM 0 H SER A 78 61.791 -8.881 -2.752 1.00 0.00 H new ATOM 0 HA SER A 78 59.690 -10.533 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.916 -10.713 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.515 -11.219 -1.034 1.00 0.00 H new ATOM 0 HG SER A 78 61.445 -12.977 -2.252 1.00 0.00 H new ATOM 1184 N ILE A 79 58.868 -8.561 -1.323 1.00 0.00 N ATOM 1185 CA ILE A 79 57.722 -8.130 -0.474 1.00 0.00 C ATOM 1186 C ILE A 79 56.545 -7.730 -1.366 1.00 0.00 C ATOM 1187 O ILE A 79 56.511 -6.648 -1.918 1.00 0.00 O ATOM 1188 CB ILE A 79 58.149 -6.933 0.381 1.00 0.00 C ATOM 1189 CG1 ILE A 79 59.099 -7.412 1.481 1.00 0.00 C ATOM 1190 CG2 ILE A 79 56.916 -6.291 1.018 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.546 -6.218 2.328 1.00 0.00 C ATOM 0 H ILE A 79 59.651 -7.909 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 79 57.418 -8.952 0.174 1.00 0.00 H new ATOM 0 HB ILE A 79 58.654 -6.199 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.601 -8.151 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.966 -7.902 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.222 -5.440 1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.237 -5.953 0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.409 -7.022 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 79 60.223 -6.560 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 79 60.060 -5.495 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.674 -5.747 2.782 1.00 0.00 H new ATOM 1203 N LYS A 80 55.579 -8.596 -1.514 1.00 0.00 N ATOM 1204 CA LYS A 80 54.405 -8.263 -2.371 1.00 0.00 C ATOM 1205 C LYS A 80 54.894 -7.682 -3.699 1.00 0.00 C ATOM 1206 O LYS A 80 54.330 -6.690 -4.132 1.00 0.00 O ATOM 1207 CB LYS A 80 53.525 -7.235 -1.655 1.00 0.00 C ATOM 1208 CG LYS A 80 52.130 -7.822 -1.434 1.00 0.00 C ATOM 1209 CD LYS A 80 51.077 -6.729 -1.637 1.00 0.00 C ATOM 1210 CE LYS A 80 50.365 -6.946 -2.974 1.00 0.00 C ATOM 1211 NZ LYS A 80 48.902 -6.721 -2.799 1.00 0.00 N ATOM 1212 OXT LYS A 80 55.822 -8.238 -4.261 1.00 0.00 O ATOM 0 H LYS A 80 55.552 -9.518 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 80 53.825 -9.166 -2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 80 53.972 -6.962 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 80 53.457 -6.323 -2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 80 51.955 -8.643 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 80 52.053 -8.234 -0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 80 50.355 -6.749 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 80 51.549 -5.747 -1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 80 50.762 -6.263 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS A 80 50.548 -7.958 -3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 48.417 -6.868 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 48.530 -7.390 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 48.737 -5.747 -2.472 1.00 0.00 H new