USER MOD reduce.3.24.130724 H: found=0, std=0, add=1088, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1088 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 144 HIS : no HE2:sc= -0.163 K(o=0.19,f=-0.37) USER MOD Set 1.2: A 146 SER OG : rot -71:sc= 0.349 USER MOD Set 2.1: A 81 ASN : amide:sc= 0.246 K(o=0.7,f=-8.6!) USER MOD Set 2.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 123 LYS NZ :NH3+ -163:sc= 0.453 (180deg=-0.109) USER MOD Set 3.1: A 91 CYS SG : rot 180:sc= 0.497 USER MOD Set 3.2: A 93 SER OG : rot 94:sc= 0.456 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.0256 X(o=-1.1,f=-0.7) USER MOD Set 4.2: A 25 ASN : amide:sc= -1.04 K(o=-1.1,f=-2.2!) USER MOD Set 5.1: A 14 THR OG1 : rot 180:sc= 0.0335 USER MOD Set 5.2: A 18 CYS SG : rot -104:sc= 1.43 USER MOD Single : A 4 GLN : amide:sc= -0.582 K(o=-0.58,f=-4.5!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 180:sc= -0.607 USER MOD Single : A 9 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.086) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -136:sc= 0 (180deg=-0.994) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 1.02 K(o=1,f=-0.26) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 43:sc= 0.167 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 152:sc= -0.0449 USER MOD Single : A 54 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.15) USER MOD Single : A 63 GLN : amide:sc= 0.452 K(o=0.45,f=-1.5!) USER MOD Single : A 72 MET CE :methyl 163:sc= -0.0152 (180deg=-0.227) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 179:sc= -0.273 (180deg=-0.277) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 94 CYS SG : rot 87:sc= 0.723 USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.58 F(o=-2.7,f=-1.6) USER MOD Single : A 100 SER OG : rot 78:sc= 0.511 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -84:sc= 1 USER MOD Single : A 105 THR OG1 : rot 90:sc= 1.14 USER MOD Single : A 106 ASN : amide:sc= 0.133 K(o=0.13,f=-6.4!) USER MOD Single : A 109 THR OG1 : rot 46:sc= 0.27 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0249) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= -0.495 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLN A 4 -8.032 -3.504 5.556 1.00 2.13 N ATOM 45 CA GLN A 4 -6.687 -3.114 5.151 1.00 2.00 C ATOM 46 C GLN A 4 -6.509 -1.609 5.271 1.00 1.81 C ATOM 47 O GLN A 4 -7.269 -0.836 4.685 1.00 1.83 O ATOM 48 CB GLN A 4 -6.364 -3.573 3.723 1.00 2.00 C ATOM 49 CG GLN A 4 -6.898 -4.956 3.345 1.00 2.11 C ATOM 50 CD GLN A 4 -6.538 -6.096 4.286 1.00 2.79 C ATOM 51 OE1 GLN A 4 -5.920 -5.913 5.329 1.00 3.85 O ATOM 52 NE2 GLN A 4 -6.944 -7.300 3.932 1.00 2.81 N ATOM 0 HA GLN A 4 -5.989 -3.611 5.825 1.00 2.00 H new ATOM 0 HB2 GLN A 4 -6.769 -2.842 3.023 1.00 2.00 H new ATOM 0 HB3 GLN A 4 -5.282 -3.572 3.595 1.00 2.00 H new ATOM 0 HG2 GLN A 4 -7.984 -4.897 3.278 1.00 2.11 H new ATOM 0 HG3 GLN A 4 -6.530 -5.205 2.349 1.00 2.11 H new ATOM 0 HE21 GLN A 4 -7.457 -7.429 3.060 1.00 2.81 H new ATOM 0 HE22 GLN A 4 -6.745 -8.102 4.530 1.00 2.81 H new ATOM 61 N LYS A 5 -5.469 -1.195 5.998 1.00 1.86 N ATOM 62 CA LYS A 5 -5.220 0.205 6.269 1.00 1.75 C ATOM 63 C LYS A 5 -4.295 0.773 5.204 1.00 1.77 C ATOM 64 O LYS A 5 -3.357 0.100 4.784 1.00 2.10 O ATOM 65 CB LYS A 5 -4.635 0.388 7.675 1.00 1.86 C ATOM 66 CG LYS A 5 -3.149 0.025 7.758 1.00 2.41 C ATOM 67 CD LYS A 5 -2.660 -0.012 9.214 1.00 2.74 C ATOM 68 CE LYS A 5 -2.202 -1.430 9.588 1.00 3.04 C ATOM 69 NZ LYS A 5 -1.723 -1.512 10.983 1.00 3.79 N ATOM 0 H LYS A 5 -4.782 -1.827 6.410 1.00 1.86 H new ATOM 0 HA LYS A 5 -6.162 0.752 6.235 1.00 1.75 H new ATOM 0 HB2 LYS A 5 -4.768 1.424 7.986 1.00 1.86 H new ATOM 0 HB3 LYS A 5 -5.194 -0.230 8.378 1.00 1.86 H new ATOM 0 HG2 LYS A 5 -2.984 -0.947 7.293 1.00 2.41 H new ATOM 0 HG3 LYS A 5 -2.564 0.752 7.195 1.00 2.41 H new ATOM 0 HD2 LYS A 5 -1.837 0.690 9.346 1.00 2.74 H new ATOM 0 HD3 LYS A 5 -3.461 0.307 9.882 1.00 2.74 H new ATOM 0 HE2 LYS A 5 -3.029 -2.126 9.448 1.00 3.04 H new ATOM 0 HE3 LYS A 5 -1.405 -1.742 8.913 1.00 3.04 H new ATOM 0 HZ1 LYS A 5 -1.424 -2.486 11.191 1.00 3.79 H new ATOM 0 HZ2 LYS A 5 -0.917 -0.868 11.112 1.00 3.79 H new ATOM 0 HZ3 LYS A 5 -2.490 -1.240 11.630 1.00 3.79 H new ATOM 83 N CYS A 6 -4.556 2.014 4.802 1.00 1.53 N ATOM 84 CA CYS A 6 -3.676 2.794 3.938 1.00 1.59 C ATOM 85 C CYS A 6 -3.262 4.039 4.698 1.00 1.51 C ATOM 86 O CYS A 6 -3.992 4.463 5.591 1.00 1.56 O ATOM 87 CB CYS A 6 -4.375 3.184 2.635 1.00 1.61 C ATOM 88 SG CYS A 6 -5.589 4.491 2.892 1.00 2.76 S ATOM 0 H CYS A 6 -5.402 2.515 5.073 1.00 1.53 H new ATOM 0 HA CYS A 6 -2.805 2.195 3.671 1.00 1.59 H new ATOM 0 HB2 CYS A 6 -3.632 3.515 1.909 1.00 1.61 H new ATOM 0 HB3 CYS A 6 -4.867 2.309 2.211 1.00 1.61 H new ATOM 0 HG CYS A 6 -6.153 4.788 1.759 1.00 2.76 H new ATOM 94 N PHE A 7 -2.111 4.607 4.340 1.00 1.48 N ATOM 95 CA PHE A 7 -1.631 5.875 4.862 1.00 1.42 C ATOM 96 C PHE A 7 -1.570 6.856 3.707 1.00 1.21 C ATOM 97 O PHE A 7 -0.665 6.772 2.878 1.00 1.24 O ATOM 98 CB PHE A 7 -0.245 5.710 5.494 1.00 1.77 C ATOM 99 CG PHE A 7 -0.293 5.207 6.919 1.00 1.96 C ATOM 100 CD1 PHE A 7 -0.559 6.117 7.958 1.00 3.07 C ATOM 101 CD2 PHE A 7 -0.156 3.837 7.205 1.00 2.19 C ATOM 102 CE1 PHE A 7 -0.722 5.655 9.273 1.00 3.32 C ATOM 103 CE2 PHE A 7 -0.272 3.382 8.530 1.00 2.50 C ATOM 104 CZ PHE A 7 -0.585 4.287 9.559 1.00 2.63 C ATOM 0 H PHE A 7 -1.476 4.184 3.663 1.00 1.48 H new ATOM 0 HA PHE A 7 -2.304 6.240 5.638 1.00 1.42 H new ATOM 0 HB2 PHE A 7 0.341 5.017 4.891 1.00 1.77 H new ATOM 0 HB3 PHE A 7 0.273 6.669 5.472 1.00 1.77 H new ATOM 0 HD1 PHE A 7 -0.638 7.173 7.743 1.00 3.07 H new ATOM 0 HD2 PHE A 7 0.038 3.135 6.407 1.00 2.19 H new ATOM 0 HE1 PHE A 7 -0.953 6.352 10.065 1.00 3.32 H new ATOM 0 HE2 PHE A 7 -0.121 2.337 8.757 1.00 2.50 H new ATOM 0 HZ PHE A 7 -0.720 3.930 10.569 1.00 2.63 H new ATOM 114 N LEU A 8 -2.515 7.792 3.658 1.00 1.03 N ATOM 115 CA LEU A 8 -2.482 8.881 2.706 1.00 0.92 C ATOM 116 C LEU A 8 -2.302 10.202 3.442 1.00 0.89 C ATOM 117 O LEU A 8 -2.372 10.284 4.669 1.00 0.98 O ATOM 118 CB LEU A 8 -3.727 8.895 1.797 1.00 1.00 C ATOM 119 CG LEU A 8 -4.351 7.538 1.429 1.00 1.14 C ATOM 120 CD1 LEU A 8 -5.701 7.745 0.733 1.00 1.93 C ATOM 121 CD2 LEU A 8 -3.479 6.658 0.536 1.00 2.77 C ATOM 0 H LEU A 8 -3.322 7.810 4.281 1.00 1.03 H new ATOM 0 HA LEU A 8 -1.628 8.733 2.045 1.00 0.92 H new ATOM 0 HB2 LEU A 8 -4.494 9.497 2.285 1.00 1.00 H new ATOM 0 HB3 LEU A 8 -3.462 9.406 0.871 1.00 1.00 H new ATOM 0 HG LEU A 8 -4.465 7.014 2.378 1.00 1.14 H new ATOM 0 HD11 LEU A 8 -6.131 6.776 0.478 1.00 1.93 H new ATOM 0 HD12 LEU A 8 -6.377 8.278 1.402 1.00 1.93 H new ATOM 0 HD13 LEU A 8 -5.556 8.328 -0.176 1.00 1.93 H new ATOM 0 HD21 LEU A 8 -3.999 5.723 0.328 1.00 2.77 H new ATOM 0 HD22 LEU A 8 -3.278 7.177 -0.401 1.00 2.77 H new ATOM 0 HD23 LEU A 8 -2.538 6.445 1.043 1.00 2.77 H new ATOM 133 N GLN A 9 -2.062 11.250 2.665 1.00 0.82 N ATOM 134 CA GLN A 9 -2.102 12.624 3.115 1.00 0.84 C ATOM 135 C GLN A 9 -3.129 13.331 2.247 1.00 0.74 C ATOM 136 O GLN A 9 -3.274 12.981 1.071 1.00 0.77 O ATOM 137 CB GLN A 9 -0.700 13.269 3.082 1.00 1.00 C ATOM 138 CG GLN A 9 0.351 12.705 2.102 1.00 1.10 C ATOM 139 CD GLN A 9 0.382 13.366 0.724 1.00 1.07 C ATOM 140 OE1 GLN A 9 1.439 13.756 0.239 1.00 1.79 O ATOM 141 NE2 GLN A 9 -0.753 13.505 0.051 1.00 1.26 N ATOM 0 H GLN A 9 -1.828 11.159 1.676 1.00 0.82 H new ATOM 0 HA GLN A 9 -2.402 12.701 4.160 1.00 0.84 H new ATOM 0 HB2 GLN A 9 -0.828 14.328 2.856 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -0.283 13.205 4.087 1.00 1.00 H new ATOM 0 HG2 GLN A 9 1.337 12.804 2.556 1.00 1.10 H new ATOM 0 HG3 GLN A 9 0.166 11.639 1.971 1.00 1.10 H new ATOM 0 HE21 GLN A 9 -1.630 13.179 0.457 1.00 1.26 H new ATOM 0 HE22 GLN A 9 -0.748 13.937 -0.873 1.00 1.26 H new ATOM 150 N ILE A 10 -3.837 14.304 2.819 1.00 0.72 N ATOM 151 CA ILE A 10 -4.732 15.163 2.089 1.00 0.70 C ATOM 152 C ILE A 10 -3.980 16.457 1.795 1.00 0.84 C ATOM 153 O ILE A 10 -3.233 16.930 2.652 1.00 0.92 O ATOM 154 CB ILE A 10 -5.980 15.447 2.939 1.00 0.75 C ATOM 155 CG1 ILE A 10 -6.723 14.171 3.355 1.00 0.70 C ATOM 156 CG2 ILE A 10 -6.914 16.385 2.181 1.00 0.84 C ATOM 157 CD1 ILE A 10 -7.111 13.260 2.187 1.00 0.66 C ATOM 0 H ILE A 10 -3.795 14.510 3.817 1.00 0.72 H new ATOM 0 HA ILE A 10 -5.056 14.695 1.159 1.00 0.70 H new ATOM 0 HB ILE A 10 -5.644 15.922 3.860 1.00 0.75 H new ATOM 0 HG12 ILE A 10 -6.096 13.608 4.047 1.00 0.70 H new ATOM 0 HG13 ILE A 10 -7.626 14.451 3.898 1.00 0.70 H new ATOM 0 HG21 ILE A 10 -7.798 16.585 2.786 1.00 0.84 H new ATOM 0 HG22 ILE A 10 -6.398 17.322 1.972 1.00 0.84 H new ATOM 0 HG23 ILE A 10 -7.214 15.919 1.242 1.00 0.84 H new ATOM 0 HD11 ILE A 10 -7.632 12.382 2.568 1.00 0.66 H new ATOM 0 HD12 ILE A 10 -7.766 13.802 1.505 1.00 0.66 H new ATOM 0 HD13 ILE A 10 -6.212 12.947 1.656 1.00 0.66 H new ATOM 169 N LYS A 11 -4.194 17.051 0.619 1.00 0.98 N ATOM 170 CA LYS A 11 -3.792 18.427 0.353 1.00 1.18 C ATOM 171 C LYS A 11 -5.052 19.247 0.069 1.00 1.22 C ATOM 172 O LYS A 11 -5.857 18.856 -0.776 1.00 1.39 O ATOM 173 CB LYS A 11 -2.797 18.486 -0.813 1.00 1.37 C ATOM 174 CG LYS A 11 -1.357 18.177 -0.380 1.00 1.54 C ATOM 175 CD LYS A 11 -0.365 18.522 -1.503 1.00 2.16 C ATOM 176 CE LYS A 11 -0.479 17.583 -2.719 1.00 3.38 C ATOM 177 NZ LYS A 11 0.768 16.831 -2.968 1.00 3.38 N ATOM 0 H LYS A 11 -4.649 16.591 -0.170 1.00 0.98 H new ATOM 0 HA LYS A 11 -3.280 18.846 1.219 1.00 1.18 H new ATOM 0 HB2 LYS A 11 -3.101 17.775 -1.581 1.00 1.37 H new ATOM 0 HB3 LYS A 11 -2.831 19.477 -1.265 1.00 1.37 H new ATOM 0 HG2 LYS A 11 -1.112 18.747 0.516 1.00 1.54 H new ATOM 0 HG3 LYS A 11 -1.268 17.122 -0.121 1.00 1.54 H new ATOM 0 HD2 LYS A 11 -0.535 19.549 -1.827 1.00 2.16 H new ATOM 0 HD3 LYS A 11 0.650 18.476 -1.110 1.00 2.16 H new ATOM 0 HE2 LYS A 11 -1.297 16.881 -2.557 1.00 3.38 H new ATOM 0 HE3 LYS A 11 -0.731 18.168 -3.604 1.00 3.38 H new ATOM 0 HZ1 LYS A 11 0.642 16.214 -3.795 1.00 3.38 H new ATOM 0 HZ2 LYS A 11 1.545 17.498 -3.149 1.00 3.38 H new ATOM 0 HZ3 LYS A 11 0.996 16.251 -2.135 1.00 3.38 H new ATOM 191 N GLY A 12 -5.225 20.358 0.797 1.00 1.24 N ATOM 192 CA GLY A 12 -6.322 21.303 0.617 1.00 1.31 C ATOM 193 C GLY A 12 -6.597 22.079 1.906 1.00 1.41 C ATOM 194 O GLY A 12 -6.528 23.304 1.911 1.00 1.94 O ATOM 0 H GLY A 12 -4.586 20.626 1.546 1.00 1.24 H new ATOM 0 HA2 GLY A 12 -6.078 21.999 -0.185 1.00 1.31 H new ATOM 0 HA3 GLY A 12 -7.221 20.768 0.312 1.00 1.31 H new ATOM 198 N MET A 13 -6.896 21.348 2.989 1.00 1.14 N ATOM 199 CA MET A 13 -7.158 21.842 4.347 1.00 1.31 C ATOM 200 C MET A 13 -7.663 23.291 4.442 1.00 1.41 C ATOM 201 O MET A 13 -6.948 24.169 4.919 1.00 1.55 O ATOM 202 CB MET A 13 -5.912 21.654 5.220 1.00 1.63 C ATOM 203 CG MET A 13 -5.662 20.190 5.573 1.00 1.30 C ATOM 204 SD MET A 13 -4.246 19.977 6.670 1.00 2.13 S ATOM 205 CE MET A 13 -4.422 18.227 7.040 1.00 1.50 C ATOM 0 H MET A 13 -6.966 20.332 2.936 1.00 1.14 H new ATOM 0 HA MET A 13 -7.987 21.237 4.714 1.00 1.31 H new ATOM 0 HB2 MET A 13 -5.042 22.052 4.697 1.00 1.63 H new ATOM 0 HB3 MET A 13 -6.024 22.232 6.137 1.00 1.63 H new ATOM 0 HG2 MET A 13 -6.552 19.777 6.049 1.00 1.30 H new ATOM 0 HG3 MET A 13 -5.497 19.622 4.658 1.00 1.30 H new ATOM 0 HE1 MET A 13 -4.268 18.063 8.107 1.00 1.50 H new ATOM 0 HE2 MET A 13 -5.422 17.895 6.762 1.00 1.50 H new ATOM 0 HE3 MET A 13 -3.682 17.660 6.476 1.00 1.50 H new ATOM 215 N THR A 14 -8.921 23.534 4.065 1.00 1.49 N ATOM 216 CA THR A 14 -9.491 24.871 4.105 1.00 1.71 C ATOM 217 C THR A 14 -9.476 25.479 5.511 1.00 1.69 C ATOM 218 O THR A 14 -8.948 26.573 5.691 1.00 1.87 O ATOM 219 CB THR A 14 -10.908 24.824 3.523 1.00 1.98 C ATOM 220 OG1 THR A 14 -10.916 23.929 2.431 1.00 2.30 O ATOM 221 CG2 THR A 14 -11.389 26.209 3.083 1.00 2.50 C ATOM 0 H THR A 14 -9.561 22.815 3.728 1.00 1.49 H new ATOM 0 HA THR A 14 -8.869 25.529 3.498 1.00 1.71 H new ATOM 0 HB THR A 14 -11.595 24.481 4.297 1.00 1.98 H new ATOM 0 HG1 THR A 14 -11.817 23.887 2.049 1.00 2.30 H new ATOM 0 HG21 THR A 14 -12.397 26.132 2.676 1.00 2.50 H new ATOM 0 HG22 THR A 14 -11.394 26.882 3.941 1.00 2.50 H new ATOM 0 HG23 THR A 14 -10.718 26.601 2.318 1.00 2.50 H new ATOM 229 N CYS A 15 -10.096 24.822 6.505 1.00 1.77 N ATOM 230 CA CYS A 15 -10.260 25.460 7.813 1.00 2.15 C ATOM 231 C CYS A 15 -10.687 24.460 8.890 1.00 1.67 C ATOM 232 O CYS A 15 -11.779 24.564 9.440 1.00 2.16 O ATOM 233 CB CYS A 15 -11.249 26.637 7.711 1.00 2.99 C ATOM 234 SG CYS A 15 -10.844 27.809 9.023 1.00 3.91 S ATOM 0 H CYS A 15 -10.479 23.880 6.430 1.00 1.77 H new ATOM 0 HA CYS A 15 -9.289 25.850 8.120 1.00 2.15 H new ATOM 0 HB2 CYS A 15 -11.175 27.115 6.734 1.00 2.99 H new ATOM 0 HB3 CYS A 15 -12.275 26.285 7.816 1.00 2.99 H new ATOM 0 HG CYS A 15 -11.659 28.821 8.968 1.00 3.91 H new ATOM 240 N ALA A 16 -9.836 23.457 9.151 1.00 2.22 N ATOM 241 CA ALA A 16 -10.027 22.418 10.170 1.00 3.45 C ATOM 242 C ALA A 16 -11.485 21.950 10.275 1.00 2.87 C ATOM 243 O ALA A 16 -12.070 21.913 11.353 1.00 2.78 O ATOM 244 CB ALA A 16 -9.481 22.902 11.517 1.00 5.04 C ATOM 0 H ALA A 16 -8.962 23.344 8.637 1.00 2.22 H new ATOM 0 HA ALA A 16 -9.461 21.540 9.860 1.00 3.45 H new ATOM 0 HB1 ALA A 16 -9.626 22.126 12.268 1.00 5.04 H new ATOM 0 HB2 ALA A 16 -8.417 23.120 11.421 1.00 5.04 H new ATOM 0 HB3 ALA A 16 -10.011 23.805 11.821 1.00 5.04 H new ATOM 250 N SER A 17 -12.072 21.611 9.125 1.00 2.51 N ATOM 251 CA SER A 17 -13.504 21.373 8.984 1.00 1.83 C ATOM 252 C SER A 17 -13.774 20.715 7.631 1.00 1.53 C ATOM 253 O SER A 17 -14.504 19.734 7.539 1.00 1.51 O ATOM 254 CB SER A 17 -14.285 22.690 9.128 1.00 2.29 C ATOM 255 OG SER A 17 -15.682 22.453 9.126 1.00 1.99 O ATOM 0 H SER A 17 -11.555 21.493 8.254 1.00 2.51 H new ATOM 0 HA SER A 17 -13.842 20.703 9.774 1.00 1.83 H new ATOM 0 HB2 SER A 17 -13.998 23.188 10.054 1.00 2.29 H new ATOM 0 HB3 SER A 17 -14.025 23.363 8.311 1.00 2.29 H new ATOM 0 HG SER A 17 -16.158 23.304 9.220 1.00 1.99 H new ATOM 261 N CYS A 18 -13.165 21.232 6.565 1.00 1.36 N ATOM 262 CA CYS A 18 -13.407 20.723 5.223 1.00 1.27 C ATOM 263 C CYS A 18 -12.895 19.285 5.114 1.00 1.16 C ATOM 264 O CYS A 18 -13.625 18.390 4.708 1.00 1.13 O ATOM 265 CB CYS A 18 -12.783 21.681 4.210 1.00 1.38 C ATOM 266 SG CYS A 18 -13.418 21.281 2.573 1.00 1.54 S ATOM 0 H CYS A 18 -12.500 22.004 6.609 1.00 1.36 H new ATOM 0 HA CYS A 18 -14.474 20.679 5.003 1.00 1.27 H new ATOM 0 HB2 CYS A 18 -13.023 22.713 4.467 1.00 1.38 H new ATOM 0 HB3 CYS A 18 -11.697 21.593 4.226 1.00 1.38 H new ATOM 0 HG CYS A 18 -12.505 20.650 1.896 1.00 1.54 H new ATOM 272 N VAL A 19 -11.686 19.021 5.617 1.00 1.17 N ATOM 273 CA VAL A 19 -11.188 17.654 5.758 1.00 1.19 C ATOM 274 C VAL A 19 -12.055 16.820 6.717 1.00 1.28 C ATOM 275 O VAL A 19 -12.086 15.598 6.619 1.00 1.46 O ATOM 276 CB VAL A 19 -9.702 17.690 6.148 1.00 1.45 C ATOM 277 CG1 VAL A 19 -9.166 16.302 6.503 1.00 1.91 C ATOM 278 CG2 VAL A 19 -8.889 18.238 4.974 1.00 1.90 C ATOM 0 H VAL A 19 -11.034 19.739 5.933 1.00 1.17 H new ATOM 0 HA VAL A 19 -11.265 17.142 4.799 1.00 1.19 H new ATOM 0 HB VAL A 19 -9.607 18.328 7.027 1.00 1.45 H new ATOM 0 HG11 VAL A 19 -8.112 16.377 6.772 1.00 1.91 H new ATOM 0 HG12 VAL A 19 -9.728 15.900 7.346 1.00 1.91 H new ATOM 0 HG13 VAL A 19 -9.275 15.639 5.645 1.00 1.91 H new ATOM 0 HG21 VAL A 19 -7.833 18.266 5.244 1.00 1.90 H new ATOM 0 HG22 VAL A 19 -9.024 17.593 4.105 1.00 1.90 H new ATOM 0 HG23 VAL A 19 -9.229 19.245 4.735 1.00 1.90 H new ATOM 288 N SER A 20 -12.802 17.453 7.624 1.00 1.26 N ATOM 289 CA SER A 20 -13.834 16.732 8.369 1.00 1.31 C ATOM 290 C SER A 20 -14.918 16.215 7.421 1.00 1.28 C ATOM 291 O SER A 20 -15.398 15.102 7.586 1.00 1.35 O ATOM 292 CB SER A 20 -14.450 17.614 9.463 1.00 1.39 C ATOM 293 OG SER A 20 -14.646 16.880 10.654 1.00 1.81 O ATOM 0 H SER A 20 -12.715 18.442 7.857 1.00 1.26 H new ATOM 0 HA SER A 20 -13.361 15.879 8.855 1.00 1.31 H new ATOM 0 HB2 SER A 20 -13.798 18.465 9.659 1.00 1.39 H new ATOM 0 HB3 SER A 20 -15.403 18.015 9.118 1.00 1.39 H new ATOM 0 HG SER A 20 -15.038 17.463 11.337 1.00 1.81 H new ATOM 299 N ASN A 21 -15.312 16.992 6.411 1.00 1.24 N ATOM 300 CA ASN A 21 -16.368 16.599 5.488 1.00 1.21 C ATOM 301 C ASN A 21 -16.031 15.266 4.796 1.00 0.99 C ATOM 302 O ASN A 21 -16.907 14.420 4.595 1.00 0.92 O ATOM 303 CB ASN A 21 -16.655 17.768 4.530 1.00 1.41 C ATOM 304 CG ASN A 21 -16.353 17.427 3.077 1.00 1.92 C ATOM 305 OD1 ASN A 21 -15.212 17.265 2.660 1.00 3.78 O ATOM 306 ND2 ASN A 21 -17.410 17.285 2.301 1.00 1.12 N ATOM 0 H ASN A 21 -14.907 17.907 6.213 1.00 1.24 H new ATOM 0 HA ASN A 21 -17.295 16.399 6.025 1.00 1.21 H new ATOM 0 HB2 ASN A 21 -17.702 18.058 4.621 1.00 1.41 H new ATOM 0 HB3 ASN A 21 -16.059 18.631 4.828 1.00 1.41 H new ATOM 0 HD21 ASN A 21 -17.292 17.033 1.320 1.00 1.12 H new ATOM 0 HD22 ASN A 21 -18.345 17.428 2.682 1.00 1.12 H new ATOM 313 N ILE A 22 -14.743 15.061 4.498 1.00 1.03 N ATOM 314 CA ILE A 22 -14.212 13.803 3.986 1.00 1.13 C ATOM 315 C ILE A 22 -14.678 12.606 4.823 1.00 1.02 C ATOM 316 O ILE A 22 -14.887 11.533 4.265 1.00 1.16 O ATOM 317 CB ILE A 22 -12.674 13.890 3.829 1.00 1.45 C ATOM 318 CG1 ILE A 22 -12.271 14.275 2.396 1.00 1.96 C ATOM 319 CG2 ILE A 22 -11.918 12.611 4.223 1.00 1.95 C ATOM 320 CD1 ILE A 22 -11.379 15.517 2.368 1.00 1.92 C ATOM 0 H ILE A 22 -14.031 15.782 4.610 1.00 1.03 H new ATOM 0 HA ILE A 22 -14.619 13.630 2.990 1.00 1.13 H new ATOM 0 HB ILE A 22 -12.381 14.670 4.531 1.00 1.45 H new ATOM 0 HG12 ILE A 22 -11.746 13.441 1.930 1.00 1.96 H new ATOM 0 HG13 ILE A 22 -13.167 14.459 1.804 1.00 1.96 H new ATOM 0 HG21 ILE A 22 -10.848 12.763 4.081 1.00 1.95 H new ATOM 0 HG22 ILE A 22 -12.116 12.379 5.269 1.00 1.95 H new ATOM 0 HG23 ILE A 22 -12.253 11.783 3.598 1.00 1.95 H new ATOM 0 HD11 ILE A 22 -11.118 15.754 1.337 1.00 1.92 H new ATOM 0 HD12 ILE A 22 -11.913 16.358 2.810 1.00 1.92 H new ATOM 0 HD13 ILE A 22 -10.470 15.325 2.938 1.00 1.92 H new ATOM 332 N GLU A 23 -14.868 12.774 6.135 1.00 1.05 N ATOM 333 CA GLU A 23 -15.318 11.715 7.023 1.00 1.33 C ATOM 334 C GLU A 23 -16.632 11.109 6.519 1.00 1.07 C ATOM 335 O GLU A 23 -16.738 9.897 6.297 1.00 1.09 O ATOM 336 CB GLU A 23 -15.415 12.292 8.448 1.00 1.76 C ATOM 337 CG GLU A 23 -15.688 11.285 9.575 1.00 2.99 C ATOM 338 CD GLU A 23 -17.163 11.021 9.843 1.00 4.22 C ATOM 339 OE1 GLU A 23 -17.998 11.879 9.489 1.00 5.07 O ATOM 340 OE2 GLU A 23 -17.422 9.935 10.403 1.00 5.11 O ATOM 0 H GLU A 23 -14.710 13.663 6.609 1.00 1.05 H new ATOM 0 HA GLU A 23 -14.606 10.890 7.040 1.00 1.33 H new ATOM 0 HB2 GLU A 23 -14.482 12.810 8.671 1.00 1.76 H new ATOM 0 HB3 GLU A 23 -16.207 13.041 8.460 1.00 1.76 H new ATOM 0 HG2 GLU A 23 -15.202 10.341 9.327 1.00 2.99 H new ATOM 0 HG3 GLU A 23 -15.225 11.651 10.492 1.00 2.99 H new ATOM 347 N ARG A 24 -17.616 11.976 6.282 1.00 0.95 N ATOM 348 CA ARG A 24 -18.928 11.571 5.801 1.00 1.03 C ATOM 349 C ARG A 24 -18.825 11.117 4.355 1.00 0.89 C ATOM 350 O ARG A 24 -19.423 10.109 3.979 1.00 1.02 O ATOM 351 CB ARG A 24 -19.937 12.717 5.971 1.00 1.30 C ATOM 352 CG ARG A 24 -20.472 12.728 7.412 1.00 1.58 C ATOM 353 CD ARG A 24 -21.946 12.309 7.514 1.00 2.35 C ATOM 354 NE ARG A 24 -22.828 13.491 7.489 1.00 3.43 N ATOM 355 CZ ARG A 24 -23.773 13.803 8.397 1.00 4.03 C ATOM 356 NH1 ARG A 24 -24.133 12.928 9.344 1.00 4.11 N ATOM 357 NH2 ARG A 24 -24.361 15.004 8.353 1.00 5.35 N ATOM 0 H ARG A 24 -17.521 12.982 6.420 1.00 0.95 H new ATOM 0 HA ARG A 24 -19.290 10.730 6.393 1.00 1.03 H new ATOM 0 HB2 ARG A 24 -19.461 13.670 5.743 1.00 1.30 H new ATOM 0 HB3 ARG A 24 -20.761 12.596 5.268 1.00 1.30 H new ATOM 0 HG2 ARG A 24 -19.867 12.057 8.022 1.00 1.58 H new ATOM 0 HG3 ARG A 24 -20.356 13.729 7.828 1.00 1.58 H new ATOM 0 HD2 ARG A 24 -22.198 11.644 6.688 1.00 2.35 H new ATOM 0 HD3 ARG A 24 -22.107 11.749 8.435 1.00 2.35 H new ATOM 0 HE ARG A 24 -22.711 14.136 6.707 1.00 3.43 H new ATOM 0 HH11 ARG A 24 -23.690 12.010 9.385 1.00 4.11 H new ATOM 0 HH12 ARG A 24 -24.850 13.179 10.024 1.00 4.11 H new ATOM 0 HH21 ARG A 24 -24.093 15.677 7.635 1.00 5.35 H new ATOM 0 HH22 ARG A 24 -25.077 15.247 9.038 1.00 5.35 H new ATOM 371 N ASN A 25 -18.084 11.871 3.538 1.00 0.83 N ATOM 372 CA ASN A 25 -17.935 11.544 2.126 1.00 0.97 C ATOM 373 C ASN A 25 -17.433 10.108 1.980 1.00 0.84 C ATOM 374 O ASN A 25 -18.060 9.303 1.302 1.00 0.96 O ATOM 375 CB ASN A 25 -16.996 12.532 1.420 1.00 1.17 C ATOM 376 CG ASN A 25 -17.465 13.990 1.423 1.00 1.71 C ATOM 377 OD1 ASN A 25 -16.769 14.870 0.930 1.00 3.20 O ATOM 378 ND2 ASN A 25 -18.642 14.288 1.964 1.00 0.95 N ATOM 0 H ASN A 25 -17.581 12.708 3.833 1.00 0.83 H new ATOM 0 HA ASN A 25 -18.910 11.627 1.645 1.00 0.97 H new ATOM 0 HB2 ASN A 25 -16.016 12.481 1.895 1.00 1.17 H new ATOM 0 HB3 ASN A 25 -16.866 12.211 0.387 1.00 1.17 H new ATOM 0 HD21 ASN A 25 -18.971 15.254 1.970 1.00 0.95 H new ATOM 0 HD22 ASN A 25 -19.217 13.551 2.373 1.00 0.95 H new ATOM 385 N LEU A 26 -16.338 9.771 2.660 1.00 0.74 N ATOM 386 CA LEU A 26 -15.771 8.434 2.634 1.00 0.80 C ATOM 387 C LEU A 26 -16.688 7.411 3.284 1.00 0.82 C ATOM 388 O LEU A 26 -16.842 6.323 2.740 1.00 0.85 O ATOM 389 CB LEU A 26 -14.399 8.407 3.298 1.00 0.95 C ATOM 390 CG LEU A 26 -13.289 8.971 2.403 1.00 1.13 C ATOM 391 CD1 LEU A 26 -11.996 8.822 3.197 1.00 2.47 C ATOM 392 CD2 LEU A 26 -13.137 8.193 1.087 1.00 1.79 C ATOM 0 H LEU A 26 -15.820 10.426 3.246 1.00 0.74 H new ATOM 0 HA LEU A 26 -15.659 8.161 1.585 1.00 0.80 H new ATOM 0 HB2 LEU A 26 -14.438 8.981 4.224 1.00 0.95 H new ATOM 0 HB3 LEU A 26 -14.153 7.380 3.569 1.00 0.95 H new ATOM 0 HG LEU A 26 -13.526 10.002 2.140 1.00 1.13 H new ATOM 0 HD11 LEU A 26 -11.162 9.208 2.610 1.00 2.47 H new ATOM 0 HD12 LEU A 26 -12.074 9.382 4.129 1.00 2.47 H new ATOM 0 HD13 LEU A 26 -11.826 7.769 3.420 1.00 2.47 H new ATOM 0 HD21 LEU A 26 -12.337 8.636 0.493 1.00 1.79 H new ATOM 0 HD22 LEU A 26 -12.894 7.153 1.305 1.00 1.79 H new ATOM 0 HD23 LEU A 26 -14.072 8.238 0.528 1.00 1.79 H new ATOM 404 N GLN A 27 -17.337 7.728 4.412 1.00 0.88 N ATOM 405 CA GLN A 27 -18.335 6.801 4.948 1.00 1.03 C ATOM 406 C GLN A 27 -19.409 6.457 3.915 1.00 1.05 C ATOM 407 O GLN A 27 -20.065 5.425 4.045 1.00 1.21 O ATOM 408 CB GLN A 27 -18.981 7.333 6.235 1.00 1.22 C ATOM 409 CG GLN A 27 -18.690 6.405 7.426 1.00 1.24 C ATOM 410 CD GLN A 27 -18.290 7.177 8.671 1.00 1.50 C ATOM 411 OE1 GLN A 27 -18.861 6.972 9.738 1.00 2.07 O ATOM 412 NE2 GLN A 27 -17.301 8.055 8.537 1.00 1.50 N ATOM 0 H GLN A 27 -17.197 8.583 4.950 1.00 0.88 H new ATOM 0 HA GLN A 27 -17.799 5.884 5.195 1.00 1.03 H new ATOM 0 HB2 GLN A 27 -18.603 8.333 6.449 1.00 1.22 H new ATOM 0 HB3 GLN A 27 -20.058 7.422 6.095 1.00 1.22 H new ATOM 0 HG2 GLN A 27 -19.574 5.805 7.641 1.00 1.24 H new ATOM 0 HG3 GLN A 27 -17.892 5.712 7.158 1.00 1.24 H new ATOM 0 HE21 GLN A 27 -16.858 8.189 7.628 1.00 1.50 H new ATOM 0 HE22 GLN A 27 -16.985 8.594 9.343 1.00 1.50 H new ATOM 421 N LYS A 28 -19.607 7.318 2.910 1.00 1.00 N ATOM 422 CA LYS A 28 -20.493 7.039 1.795 1.00 1.12 C ATOM 423 C LYS A 28 -19.740 6.960 0.459 1.00 1.16 C ATOM 424 O LYS A 28 -20.315 7.297 -0.574 1.00 1.55 O ATOM 425 CB LYS A 28 -21.622 8.073 1.796 1.00 1.27 C ATOM 426 CG LYS A 28 -22.256 8.178 3.196 1.00 1.25 C ATOM 427 CD LYS A 28 -23.700 8.687 3.102 1.00 1.60 C ATOM 428 CE LYS A 28 -24.394 8.587 4.468 1.00 2.19 C ATOM 429 NZ LYS A 28 -25.814 8.991 4.396 1.00 3.11 N ATOM 0 H LYS A 28 -19.151 8.229 2.855 1.00 1.00 H new ATOM 0 HA LYS A 28 -20.934 6.050 1.917 1.00 1.12 H new ATOM 0 HB2 LYS A 28 -21.233 9.045 1.493 1.00 1.27 H new ATOM 0 HB3 LYS A 28 -22.381 7.792 1.067 1.00 1.27 H new ATOM 0 HG2 LYS A 28 -22.240 7.202 3.682 1.00 1.25 H new ATOM 0 HG3 LYS A 28 -21.667 8.853 3.817 1.00 1.25 H new ATOM 0 HD2 LYS A 28 -23.706 9.722 2.759 1.00 1.60 H new ATOM 0 HD3 LYS A 28 -24.250 8.104 2.364 1.00 1.60 H new ATOM 0 HE2 LYS A 28 -24.326 7.563 4.836 1.00 2.19 H new ATOM 0 HE3 LYS A 28 -23.873 9.219 5.187 1.00 2.19 H new ATOM 0 HZ1 LYS A 28 -26.246 8.909 5.338 1.00 3.11 H new ATOM 0 HZ2 LYS A 28 -25.878 9.976 4.070 1.00 3.11 H new ATOM 0 HZ3 LYS A 28 -26.318 8.372 3.729 1.00 3.11 H new ATOM 443 N GLU A 29 -18.491 6.471 0.468 1.00 0.89 N ATOM 444 CA GLU A 29 -17.828 5.973 -0.729 1.00 0.90 C ATOM 445 C GLU A 29 -18.428 4.597 -1.042 1.00 0.90 C ATOM 446 O GLU A 29 -19.477 4.513 -1.679 1.00 1.06 O ATOM 447 CB GLU A 29 -16.303 6.026 -0.512 1.00 0.97 C ATOM 448 CG GLU A 29 -15.417 5.503 -1.659 1.00 1.35 C ATOM 449 CD GLU A 29 -14.904 4.067 -1.514 1.00 2.43 C ATOM 450 OE1 GLU A 29 -15.181 3.427 -0.471 1.00 3.82 O ATOM 451 OE2 GLU A 29 -14.224 3.626 -2.463 1.00 3.05 O ATOM 0 H GLU A 29 -17.918 6.413 1.310 1.00 0.89 H new ATOM 0 HA GLU A 29 -17.995 6.583 -1.617 1.00 0.90 H new ATOM 0 HB2 GLU A 29 -16.024 7.061 -0.313 1.00 0.97 H new ATOM 0 HB3 GLU A 29 -16.068 5.454 0.386 1.00 0.97 H new ATOM 0 HG2 GLU A 29 -15.982 5.573 -2.588 1.00 1.35 H new ATOM 0 HG3 GLU A 29 -14.557 6.166 -1.758 1.00 1.35 H new ATOM 458 N ALA A 30 -17.805 3.521 -0.564 1.00 0.89 N ATOM 459 CA ALA A 30 -18.250 2.154 -0.781 1.00 0.95 C ATOM 460 C ALA A 30 -17.629 1.219 0.265 1.00 0.97 C ATOM 461 O ALA A 30 -18.130 1.154 1.385 1.00 0.96 O ATOM 462 CB ALA A 30 -17.969 1.740 -2.231 1.00 1.04 C ATOM 0 H ALA A 30 -16.956 3.582 -0.002 1.00 0.89 H new ATOM 0 HA ALA A 30 -19.329 2.080 -0.643 1.00 0.95 H new ATOM 0 HB1 ALA A 30 -18.304 0.715 -2.388 1.00 1.04 H new ATOM 0 HB2 ALA A 30 -18.504 2.405 -2.909 1.00 1.04 H new ATOM 0 HB3 ALA A 30 -16.899 1.806 -2.427 1.00 1.04 H new ATOM 468 N GLY A 31 -16.577 0.464 -0.075 1.00 1.09 N ATOM 469 CA GLY A 31 -15.984 -0.508 0.829 1.00 1.19 C ATOM 470 C GLY A 31 -15.372 0.120 2.080 1.00 1.10 C ATOM 471 O GLY A 31 -15.187 -0.577 3.073 1.00 1.24 O ATOM 0 H GLY A 31 -16.119 0.516 -0.985 1.00 1.09 H new ATOM 0 HA2 GLY A 31 -16.747 -1.227 1.129 1.00 1.19 H new ATOM 0 HA3 GLY A 31 -15.213 -1.065 0.297 1.00 1.19 H new ATOM 475 N VAL A 32 -14.999 1.403 2.045 1.00 1.06 N ATOM 476 CA VAL A 32 -14.323 2.012 3.184 1.00 1.04 C ATOM 477 C VAL A 32 -15.303 2.289 4.331 1.00 1.00 C ATOM 478 O VAL A 32 -16.351 2.896 4.127 1.00 1.01 O ATOM 479 CB VAL A 32 -13.544 3.253 2.731 1.00 1.12 C ATOM 480 CG1 VAL A 32 -14.470 4.411 2.362 1.00 1.45 C ATOM 481 CG2 VAL A 32 -12.571 3.721 3.816 1.00 1.52 C ATOM 0 H VAL A 32 -15.152 2.027 1.253 1.00 1.06 H new ATOM 0 HA VAL A 32 -13.593 1.310 3.588 1.00 1.04 H new ATOM 0 HB VAL A 32 -12.987 2.957 1.842 1.00 1.12 H new ATOM 0 HG11 VAL A 32 -13.874 5.268 2.047 1.00 1.45 H new ATOM 0 HG12 VAL A 32 -15.126 4.107 1.547 1.00 1.45 H new ATOM 0 HG13 VAL A 32 -15.072 4.686 3.228 1.00 1.45 H new ATOM 0 HG21 VAL A 32 -12.033 4.602 3.467 1.00 1.52 H new ATOM 0 HG22 VAL A 32 -13.127 3.970 4.720 1.00 1.52 H new ATOM 0 HG23 VAL A 32 -11.860 2.925 4.035 1.00 1.52 H new ATOM 491 N LEU A 33 -14.954 1.866 5.553 1.00 1.10 N ATOM 492 CA LEU A 33 -15.723 2.194 6.751 1.00 1.11 C ATOM 493 C LEU A 33 -14.792 2.460 7.940 1.00 1.16 C ATOM 494 O LEU A 33 -14.928 1.907 9.030 1.00 1.25 O ATOM 495 CB LEU A 33 -16.800 1.131 7.032 1.00 1.23 C ATOM 496 CG LEU A 33 -16.298 -0.292 7.352 1.00 1.56 C ATOM 497 CD1 LEU A 33 -17.402 -1.046 8.102 1.00 2.22 C ATOM 498 CD2 LEU A 33 -15.923 -1.089 6.097 1.00 2.17 C ATOM 0 H LEU A 33 -14.133 1.289 5.734 1.00 1.10 H new ATOM 0 HA LEU A 33 -16.266 3.123 6.578 1.00 1.11 H new ATOM 0 HB2 LEU A 33 -17.408 1.474 7.869 1.00 1.23 H new ATOM 0 HB3 LEU A 33 -17.457 1.074 6.164 1.00 1.23 H new ATOM 0 HG LEU A 33 -15.396 -0.192 7.956 1.00 1.56 H new ATOM 0 HD11 LEU A 33 -17.060 -2.055 8.335 1.00 2.22 H new ATOM 0 HD12 LEU A 33 -17.638 -0.520 9.027 1.00 2.22 H new ATOM 0 HD13 LEU A 33 -18.294 -1.100 7.478 1.00 2.22 H new ATOM 0 HD21 LEU A 33 -15.577 -2.081 6.386 1.00 2.17 H new ATOM 0 HD22 LEU A 33 -16.796 -1.183 5.451 1.00 2.17 H new ATOM 0 HD23 LEU A 33 -15.129 -0.570 5.560 1.00 2.17 H new ATOM 510 N SER A 34 -13.854 3.379 7.742 1.00 1.11 N ATOM 511 CA SER A 34 -13.017 3.922 8.792 1.00 1.10 C ATOM 512 C SER A 34 -12.509 5.264 8.304 1.00 1.04 C ATOM 513 O SER A 34 -12.220 5.406 7.119 1.00 1.04 O ATOM 514 CB SER A 34 -11.856 2.967 9.081 1.00 1.17 C ATOM 515 OG SER A 34 -12.150 2.191 10.223 1.00 1.68 O ATOM 0 H SER A 34 -13.654 3.773 6.823 1.00 1.11 H new ATOM 0 HA SER A 34 -13.575 4.045 9.720 1.00 1.10 H new ATOM 0 HB2 SER A 34 -11.685 2.317 8.223 1.00 1.17 H new ATOM 0 HB3 SER A 34 -10.938 3.533 9.241 1.00 1.17 H new ATOM 0 HG SER A 34 -13.081 1.887 10.181 1.00 1.68 H new ATOM 521 N VAL A 35 -12.399 6.225 9.216 1.00 1.05 N ATOM 522 CA VAL A 35 -11.850 7.538 8.949 1.00 1.04 C ATOM 523 C VAL A 35 -10.889 7.837 10.087 1.00 1.06 C ATOM 524 O VAL A 35 -11.343 8.194 11.172 1.00 1.22 O ATOM 525 CB VAL A 35 -12.975 8.574 8.832 1.00 1.08 C ATOM 526 CG1 VAL A 35 -12.356 9.971 8.677 1.00 2.37 C ATOM 527 CG2 VAL A 35 -13.851 8.250 7.611 1.00 1.95 C ATOM 0 H VAL A 35 -12.698 6.103 10.183 1.00 1.05 H new ATOM 0 HA VAL A 35 -11.318 7.576 7.999 1.00 1.04 H new ATOM 0 HB VAL A 35 -13.595 8.548 9.728 1.00 1.08 H new ATOM 0 HG11 VAL A 35 -13.150 10.713 8.593 1.00 2.37 H new ATOM 0 HG12 VAL A 35 -11.740 10.195 9.548 1.00 2.37 H new ATOM 0 HG13 VAL A 35 -11.738 9.998 7.779 1.00 2.37 H new ATOM 0 HG21 VAL A 35 -14.650 8.987 7.530 1.00 1.95 H new ATOM 0 HG22 VAL A 35 -13.241 8.276 6.708 1.00 1.95 H new ATOM 0 HG23 VAL A 35 -14.285 7.257 7.728 1.00 1.95 H new ATOM 537 N LEU A 36 -9.581 7.665 9.871 1.00 0.98 N ATOM 538 CA LEU A 36 -8.600 8.029 10.890 1.00 1.02 C ATOM 539 C LEU A 36 -7.682 9.109 10.307 1.00 0.99 C ATOM 540 O LEU A 36 -6.554 8.851 9.889 1.00 1.02 O ATOM 541 CB LEU A 36 -7.935 6.752 11.426 1.00 1.09 C ATOM 542 CG LEU A 36 -7.206 6.904 12.776 1.00 1.56 C ATOM 543 CD1 LEU A 36 -6.714 5.523 13.225 1.00 1.69 C ATOM 544 CD2 LEU A 36 -6.017 7.872 12.750 1.00 2.47 C ATOM 0 H LEU A 36 -9.185 7.282 9.013 1.00 0.98 H new ATOM 0 HA LEU A 36 -9.038 8.486 11.777 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -8.698 5.981 11.529 1.00 1.09 H new ATOM 0 HB3 LEU A 36 -7.220 6.396 10.684 1.00 1.09 H new ATOM 0 HG LEU A 36 -7.929 7.331 13.471 1.00 1.56 H new ATOM 0 HD11 LEU A 36 -6.196 5.614 14.180 1.00 1.69 H new ATOM 0 HD12 LEU A 36 -7.566 4.852 13.337 1.00 1.69 H new ATOM 0 HD13 LEU A 36 -6.030 5.120 12.478 1.00 1.69 H new ATOM 0 HD21 LEU A 36 -5.564 7.918 13.740 1.00 2.47 H new ATOM 0 HD22 LEU A 36 -5.279 7.522 12.029 1.00 2.47 H new ATOM 0 HD23 LEU A 36 -6.363 8.865 12.463 1.00 2.47 H new ATOM 556 N VAL A 37 -8.184 10.349 10.279 1.00 0.95 N ATOM 557 CA VAL A 37 -7.401 11.510 9.883 1.00 0.94 C ATOM 558 C VAL A 37 -6.994 12.289 11.124 1.00 1.03 C ATOM 559 O VAL A 37 -7.850 12.680 11.915 1.00 1.26 O ATOM 560 CB VAL A 37 -8.159 12.408 8.892 1.00 0.86 C ATOM 561 CG1 VAL A 37 -7.282 13.570 8.402 1.00 1.86 C ATOM 562 CG2 VAL A 37 -8.650 11.602 7.683 1.00 1.58 C ATOM 0 H VAL A 37 -9.147 10.569 10.532 1.00 0.95 H new ATOM 0 HA VAL A 37 -6.508 11.161 9.364 1.00 0.94 H new ATOM 0 HB VAL A 37 -9.017 12.816 9.426 1.00 0.86 H new ATOM 0 HG11 VAL A 37 -7.849 14.184 7.703 1.00 1.86 H new ATOM 0 HG12 VAL A 37 -6.975 14.178 9.253 1.00 1.86 H new ATOM 0 HG13 VAL A 37 -6.399 13.173 7.902 1.00 1.86 H new ATOM 0 HG21 VAL A 37 -9.183 12.262 6.998 1.00 1.58 H new ATOM 0 HG22 VAL A 37 -7.796 11.159 7.170 1.00 1.58 H new ATOM 0 HG23 VAL A 37 -9.320 10.812 8.021 1.00 1.58 H new ATOM 572 N ALA A 38 -5.696 12.558 11.266 1.00 0.97 N ATOM 573 CA ALA A 38 -5.201 13.501 12.252 1.00 1.01 C ATOM 574 C ALA A 38 -4.929 14.809 11.520 1.00 0.97 C ATOM 575 O ALA A 38 -3.850 14.976 10.957 1.00 1.01 O ATOM 576 CB ALA A 38 -3.942 12.959 12.936 1.00 1.10 C ATOM 0 H ALA A 38 -4.965 12.127 10.700 1.00 0.97 H new ATOM 0 HA ALA A 38 -5.933 13.662 13.044 1.00 1.01 H new ATOM 0 HB1 ALA A 38 -3.588 13.682 13.671 1.00 1.10 H new ATOM 0 HB2 ALA A 38 -4.175 12.018 13.435 1.00 1.10 H new ATOM 0 HB3 ALA A 38 -3.166 12.791 12.189 1.00 1.10 H new ATOM 582 N LEU A 39 -5.885 15.745 11.541 1.00 0.93 N ATOM 583 CA LEU A 39 -5.681 17.084 10.992 1.00 0.93 C ATOM 584 C LEU A 39 -4.531 17.801 11.720 1.00 1.04 C ATOM 585 O LEU A 39 -3.931 18.718 11.169 1.00 1.12 O ATOM 586 CB LEU A 39 -6.970 17.928 11.056 1.00 0.94 C ATOM 587 CG LEU A 39 -8.106 17.473 10.123 1.00 1.75 C ATOM 588 CD1 LEU A 39 -9.005 16.408 10.763 1.00 3.21 C ATOM 589 CD2 LEU A 39 -8.970 18.694 9.778 1.00 2.26 C ATOM 0 H LEU A 39 -6.813 15.594 11.936 1.00 0.93 H new ATOM 0 HA LEU A 39 -5.412 16.969 9.942 1.00 0.93 H new ATOM 0 HB2 LEU A 39 -7.339 17.918 12.081 1.00 0.94 H new ATOM 0 HB3 LEU A 39 -6.719 18.962 10.817 1.00 0.94 H new ATOM 0 HG LEU A 39 -7.650 17.033 9.236 1.00 1.75 H new ATOM 0 HD11 LEU A 39 -9.789 16.124 10.061 1.00 3.21 H new ATOM 0 HD12 LEU A 39 -8.408 15.531 11.015 1.00 3.21 H new ATOM 0 HD13 LEU A 39 -9.458 16.811 11.669 1.00 3.21 H new ATOM 0 HD21 LEU A 39 -9.781 18.390 9.117 1.00 2.26 H new ATOM 0 HD22 LEU A 39 -9.386 19.115 10.693 1.00 2.26 H new ATOM 0 HD23 LEU A 39 -8.357 19.444 9.279 1.00 2.26 H new ATOM 601 N MET A 40 -4.225 17.379 12.952 1.00 1.08 N ATOM 602 CA MET A 40 -3.217 17.994 13.806 1.00 1.21 C ATOM 603 C MET A 40 -1.822 17.829 13.196 1.00 1.23 C ATOM 604 O MET A 40 -1.040 18.773 13.153 1.00 1.31 O ATOM 605 CB MET A 40 -3.299 17.353 15.204 1.00 1.30 C ATOM 606 CG MET A 40 -2.607 18.196 16.284 1.00 1.95 C ATOM 607 SD MET A 40 -3.468 19.733 16.711 1.00 3.26 S ATOM 608 CE MET A 40 -2.415 20.337 18.048 1.00 4.12 C ATOM 0 H MET A 40 -4.686 16.580 13.388 1.00 1.08 H new ATOM 0 HA MET A 40 -3.405 19.064 13.893 1.00 1.21 H new ATOM 0 HB2 MET A 40 -4.346 17.212 15.474 1.00 1.30 H new ATOM 0 HB3 MET A 40 -2.842 16.364 15.173 1.00 1.30 H new ATOM 0 HG2 MET A 40 -2.502 17.592 17.185 1.00 1.95 H new ATOM 0 HG3 MET A 40 -1.600 18.441 15.945 1.00 1.95 H new ATOM 0 HE1 MET A 40 -2.809 21.281 18.423 1.00 4.12 H new ATOM 0 HE2 MET A 40 -2.396 19.605 18.855 1.00 4.12 H new ATOM 0 HE3 MET A 40 -1.403 20.490 17.673 1.00 4.12 H new ATOM 618 N ALA A 41 -1.510 16.606 12.753 1.00 1.21 N ATOM 619 CA ALA A 41 -0.228 16.251 12.155 1.00 1.24 C ATOM 620 C ALA A 41 -0.302 16.298 10.627 1.00 1.16 C ATOM 621 O ALA A 41 0.697 16.557 9.963 1.00 1.26 O ATOM 622 CB ALA A 41 0.181 14.856 12.634 1.00 1.29 C ATOM 0 H ALA A 41 -2.160 15.821 12.804 1.00 1.21 H new ATOM 0 HA ALA A 41 0.523 16.976 12.468 1.00 1.24 H new ATOM 0 HB1 ALA A 41 1.139 14.585 12.190 1.00 1.29 H new ATOM 0 HB2 ALA A 41 0.272 14.856 13.720 1.00 1.29 H new ATOM 0 HB3 ALA A 41 -0.576 14.132 12.333 1.00 1.29 H new ATOM 628 N GLY A 42 -1.484 16.018 10.075 1.00 1.01 N ATOM 629 CA GLY A 42 -1.753 15.998 8.651 1.00 0.95 C ATOM 630 C GLY A 42 -1.482 14.623 8.065 1.00 0.94 C ATOM 631 O GLY A 42 -0.576 14.462 7.251 1.00 0.98 O ATOM 0 H GLY A 42 -2.306 15.792 10.636 1.00 1.01 H new ATOM 0 HA2 GLY A 42 -2.791 16.276 8.469 1.00 0.95 H new ATOM 0 HA3 GLY A 42 -1.132 16.740 8.149 1.00 0.95 H new ATOM 635 N LYS A 43 -2.281 13.625 8.457 1.00 0.91 N ATOM 636 CA LYS A 43 -2.230 12.306 7.871 1.00 0.90 C ATOM 637 C LYS A 43 -3.665 11.822 7.790 1.00 0.87 C ATOM 638 O LYS A 43 -4.379 11.954 8.785 1.00 0.89 O ATOM 639 CB LYS A 43 -1.383 11.375 8.741 1.00 0.99 C ATOM 640 CG LYS A 43 -1.569 11.576 10.255 1.00 1.14 C ATOM 641 CD LYS A 43 -0.804 10.548 11.101 1.00 1.50 C ATOM 642 CE LYS A 43 0.709 10.811 11.095 1.00 2.41 C ATOM 643 NZ LYS A 43 1.434 9.878 11.984 1.00 3.08 N ATOM 0 H LYS A 43 -2.980 13.722 9.194 1.00 0.91 H new ATOM 0 HA LYS A 43 -1.771 12.321 6.883 1.00 0.90 H new ATOM 0 HB2 LYS A 43 -1.627 10.342 8.491 1.00 0.99 H new ATOM 0 HB3 LYS A 43 -0.332 11.523 8.494 1.00 0.99 H new ATOM 0 HG2 LYS A 43 -1.237 12.578 10.525 1.00 1.14 H new ATOM 0 HG3 LYS A 43 -2.631 11.516 10.495 1.00 1.14 H new ATOM 0 HD2 LYS A 43 -1.173 10.576 12.126 1.00 1.50 H new ATOM 0 HD3 LYS A 43 -1.000 9.546 10.719 1.00 1.50 H new ATOM 0 HE2 LYS A 43 1.090 10.714 10.078 1.00 2.41 H new ATOM 0 HE3 LYS A 43 0.901 11.836 11.411 1.00 2.41 H new ATOM 0 HZ1 LYS A 43 2.452 10.088 11.952 1.00 3.08 H new ATOM 0 HZ2 LYS A 43 1.088 9.988 12.959 1.00 3.08 H new ATOM 0 HZ3 LYS A 43 1.272 8.901 11.668 1.00 3.08 H new ATOM 657 N ALA A 44 -4.071 11.286 6.637 1.00 0.88 N ATOM 658 CA ALA A 44 -5.325 10.570 6.485 1.00 0.87 C ATOM 659 C ALA A 44 -5.048 9.084 6.294 1.00 0.91 C ATOM 660 O ALA A 44 -4.683 8.680 5.190 1.00 0.95 O ATOM 661 CB ALA A 44 -6.100 11.147 5.302 1.00 0.85 C ATOM 0 H ALA A 44 -3.527 11.341 5.776 1.00 0.88 H new ATOM 0 HA ALA A 44 -5.932 10.688 7.382 1.00 0.87 H new ATOM 0 HB1 ALA A 44 -7.042 10.610 5.187 1.00 0.85 H new ATOM 0 HB2 ALA A 44 -6.304 12.203 5.481 1.00 0.85 H new ATOM 0 HB3 ALA A 44 -5.508 11.041 4.393 1.00 0.85 H new ATOM 667 N GLU A 45 -5.251 8.265 7.333 1.00 0.96 N ATOM 668 CA GLU A 45 -5.301 6.824 7.153 1.00 1.03 C ATOM 669 C GLU A 45 -6.752 6.382 7.294 1.00 1.01 C ATOM 670 O GLU A 45 -7.544 6.977 8.027 1.00 1.04 O ATOM 671 CB GLU A 45 -4.331 6.061 8.074 1.00 1.21 C ATOM 672 CG GLU A 45 -4.428 6.410 9.560 1.00 2.25 C ATOM 673 CD GLU A 45 -4.008 5.255 10.467 1.00 2.62 C ATOM 674 OE1 GLU A 45 -4.630 4.172 10.347 1.00 3.22 O ATOM 675 OE2 GLU A 45 -3.098 5.481 11.294 1.00 3.46 O ATOM 0 H GLU A 45 -5.381 8.579 8.295 1.00 0.96 H new ATOM 0 HA GLU A 45 -4.947 6.571 6.153 1.00 1.03 H new ATOM 0 HB2 GLU A 45 -4.510 4.992 7.957 1.00 1.21 H new ATOM 0 HB3 GLU A 45 -3.312 6.252 7.739 1.00 1.21 H new ATOM 0 HG2 GLU A 45 -3.799 7.276 9.767 1.00 2.25 H new ATOM 0 HG3 GLU A 45 -5.453 6.697 9.795 1.00 2.25 H new ATOM 682 N ILE A 46 -7.123 5.350 6.544 1.00 1.03 N ATOM 683 CA ILE A 46 -8.413 4.717 6.628 1.00 1.10 C ATOM 684 C ILE A 46 -8.173 3.223 6.507 1.00 1.22 C ATOM 685 O ILE A 46 -7.071 2.823 6.123 1.00 1.23 O ATOM 686 CB ILE A 46 -9.360 5.267 5.551 1.00 1.07 C ATOM 687 CG1 ILE A 46 -8.949 5.108 4.085 1.00 1.33 C ATOM 688 CG2 ILE A 46 -9.604 6.755 5.750 1.00 1.80 C ATOM 689 CD1 ILE A 46 -8.948 3.647 3.671 1.00 2.72 C ATOM 0 H ILE A 46 -6.511 4.927 5.846 1.00 1.03 H new ATOM 0 HA ILE A 46 -8.908 4.928 7.576 1.00 1.10 H new ATOM 0 HB ILE A 46 -10.239 4.641 5.703 1.00 1.07 H new ATOM 0 HG12 ILE A 46 -9.635 5.668 3.449 1.00 1.33 H new ATOM 0 HG13 ILE A 46 -7.956 5.532 3.935 1.00 1.33 H new ATOM 0 HG21 ILE A 46 -10.278 7.120 4.975 1.00 1.80 H new ATOM 0 HG22 ILE A 46 -10.053 6.922 6.729 1.00 1.80 H new ATOM 0 HG23 ILE A 46 -8.657 7.290 5.689 1.00 1.80 H new ATOM 0 HD11 ILE A 46 -8.652 3.565 2.625 1.00 2.72 H new ATOM 0 HD12 ILE A 46 -8.243 3.093 4.292 1.00 2.72 H new ATOM 0 HD13 ILE A 46 -9.948 3.232 3.799 1.00 2.72 H new ATOM 701 N LYS A 47 -9.193 2.422 6.832 1.00 1.37 N ATOM 702 CA LYS A 47 -9.231 0.988 6.614 1.00 1.47 C ATOM 703 C LYS A 47 -10.310 0.685 5.575 1.00 1.49 C ATOM 704 O LYS A 47 -11.497 0.806 5.880 1.00 1.51 O ATOM 705 CB LYS A 47 -9.484 0.226 7.925 1.00 1.56 C ATOM 706 CG LYS A 47 -8.204 -0.037 8.736 1.00 2.37 C ATOM 707 CD LYS A 47 -7.598 1.194 9.430 1.00 3.40 C ATOM 708 CE LYS A 47 -8.430 1.669 10.629 1.00 3.71 C ATOM 709 NZ LYS A 47 -7.847 1.239 11.916 1.00 4.48 N ATOM 0 H LYS A 47 -10.043 2.777 7.270 1.00 1.37 H new ATOM 0 HA LYS A 47 -8.263 0.651 6.244 1.00 1.47 H new ATOM 0 HB2 LYS A 47 -10.183 0.795 8.538 1.00 1.56 H new ATOM 0 HB3 LYS A 47 -9.962 -0.726 7.696 1.00 1.56 H new ATOM 0 HG2 LYS A 47 -8.423 -0.789 9.494 1.00 2.37 H new ATOM 0 HG3 LYS A 47 -7.454 -0.464 8.070 1.00 2.37 H new ATOM 0 HD2 LYS A 47 -6.588 0.956 9.765 1.00 3.40 H new ATOM 0 HD3 LYS A 47 -7.511 2.007 8.709 1.00 3.40 H new ATOM 0 HE2 LYS A 47 -8.504 2.756 10.610 1.00 3.71 H new ATOM 0 HE3 LYS A 47 -9.444 1.279 10.543 1.00 3.71 H new ATOM 0 HZ1 LYS A 47 -8.441 1.582 12.698 1.00 4.48 H new ATOM 0 HZ2 LYS A 47 -7.800 0.200 11.946 1.00 4.48 H new ATOM 0 HZ3 LYS A 47 -6.889 1.632 12.012 1.00 4.48 H new ATOM 723 N TYR A 48 -9.890 0.327 4.357 1.00 1.49 N ATOM 724 CA TYR A 48 -10.762 -0.161 3.302 1.00 1.55 C ATOM 725 C TYR A 48 -10.651 -1.671 3.101 1.00 1.69 C ATOM 726 O TYR A 48 -9.889 -2.345 3.795 1.00 1.80 O ATOM 727 CB TYR A 48 -10.444 0.586 2.011 1.00 1.47 C ATOM 728 CG TYR A 48 -9.170 0.159 1.291 1.00 1.53 C ATOM 729 CD1 TYR A 48 -7.938 0.763 1.604 1.00 2.20 C ATOM 730 CD2 TYR A 48 -9.243 -0.712 0.188 1.00 2.15 C ATOM 731 CE1 TYR A 48 -6.823 0.552 0.776 1.00 2.18 C ATOM 732 CE2 TYR A 48 -8.152 -0.844 -0.686 1.00 2.19 C ATOM 733 CZ TYR A 48 -6.926 -0.248 -0.367 1.00 1.59 C ATOM 734 OH TYR A 48 -5.848 -0.403 -1.185 1.00 1.64 O ATOM 0 H TYR A 48 -8.910 0.372 4.078 1.00 1.49 H new ATOM 0 HA TYR A 48 -11.794 0.030 3.597 1.00 1.55 H new ATOM 0 HB2 TYR A 48 -11.284 0.463 1.327 1.00 1.47 H new ATOM 0 HB3 TYR A 48 -10.371 1.650 2.238 1.00 1.47 H new ATOM 0 HD1 TYR A 48 -7.850 1.388 2.480 1.00 2.20 H new ATOM 0 HD2 TYR A 48 -10.143 -1.282 0.013 1.00 2.15 H new ATOM 0 HE1 TYR A 48 -5.878 1.012 1.024 1.00 2.18 H new ATOM 0 HE2 TYR A 48 -8.258 -1.404 -1.603 1.00 2.19 H new ATOM 0 HH TYR A 48 -5.905 -1.268 -1.641 1.00 1.64 H new ATOM 744 N ASP A 49 -11.414 -2.173 2.124 1.00 1.72 N ATOM 745 CA ASP A 49 -11.453 -3.570 1.725 1.00 1.86 C ATOM 746 C ASP A 49 -11.115 -3.682 0.226 1.00 1.90 C ATOM 747 O ASP A 49 -11.936 -3.313 -0.622 1.00 1.84 O ATOM 748 CB ASP A 49 -12.843 -4.137 2.066 1.00 1.92 C ATOM 749 CG ASP A 49 -12.699 -5.403 2.899 1.00 2.84 C ATOM 750 OD1 ASP A 49 -11.974 -6.298 2.419 1.00 3.46 O ATOM 751 OD2 ASP A 49 -13.271 -5.429 4.011 1.00 3.92 O ATOM 0 H ASP A 49 -12.043 -1.589 1.573 1.00 1.72 H new ATOM 0 HA ASP A 49 -10.710 -4.158 2.264 1.00 1.86 H new ATOM 0 HB2 ASP A 49 -13.423 -3.395 2.615 1.00 1.92 H new ATOM 0 HB3 ASP A 49 -13.391 -4.355 1.149 1.00 1.92 H new ATOM 756 N PRO A 50 -9.897 -4.117 -0.149 1.00 1.99 N ATOM 757 CA PRO A 50 -9.451 -4.107 -1.535 1.00 2.01 C ATOM 758 C PRO A 50 -10.160 -5.151 -2.398 1.00 2.21 C ATOM 759 O PRO A 50 -9.938 -5.180 -3.607 1.00 2.28 O ATOM 760 CB PRO A 50 -7.939 -4.347 -1.508 1.00 2.07 C ATOM 761 CG PRO A 50 -7.732 -5.102 -0.204 1.00 2.17 C ATOM 762 CD PRO A 50 -8.827 -4.565 0.721 1.00 2.08 C ATOM 0 HA PRO A 50 -9.697 -3.149 -1.993 1.00 2.01 H new ATOM 0 HB2 PRO A 50 -7.608 -4.930 -2.368 1.00 2.07 H new ATOM 0 HB3 PRO A 50 -7.382 -3.410 -1.524 1.00 2.07 H new ATOM 0 HG2 PRO A 50 -7.825 -6.178 -0.348 1.00 2.17 H new ATOM 0 HG3 PRO A 50 -6.739 -4.921 0.208 1.00 2.17 H new ATOM 0 HD2 PRO A 50 -9.177 -5.340 1.403 1.00 2.08 H new ATOM 0 HD3 PRO A 50 -8.453 -3.745 1.334 1.00 2.08 H new ATOM 770 N GLU A 51 -11.003 -6.006 -1.809 1.00 2.37 N ATOM 771 CA GLU A 51 -11.761 -6.970 -2.583 1.00 2.57 C ATOM 772 C GLU A 51 -12.938 -6.312 -3.313 1.00 2.45 C ATOM 773 O GLU A 51 -13.513 -6.943 -4.199 1.00 2.70 O ATOM 774 CB GLU A 51 -12.231 -8.124 -1.682 1.00 2.72 C ATOM 775 CG GLU A 51 -13.235 -7.703 -0.595 1.00 2.77 C ATOM 776 CD GLU A 51 -13.862 -8.909 0.098 1.00 3.10 C ATOM 777 OE1 GLU A 51 -13.161 -9.938 0.218 1.00 3.69 O ATOM 778 OE2 GLU A 51 -15.055 -8.798 0.456 1.00 3.63 O ATOM 0 H GLU A 51 -11.171 -6.043 -0.804 1.00 2.37 H new ATOM 0 HA GLU A 51 -11.104 -7.380 -3.351 1.00 2.57 H new ATOM 0 HB2 GLU A 51 -12.687 -8.894 -2.304 1.00 2.72 H new ATOM 0 HB3 GLU A 51 -11.361 -8.575 -1.204 1.00 2.72 H new ATOM 0 HG2 GLU A 51 -12.730 -7.081 0.144 1.00 2.77 H new ATOM 0 HG3 GLU A 51 -14.020 -7.093 -1.042 1.00 2.77 H new ATOM 785 N VAL A 52 -13.326 -5.081 -2.937 1.00 2.13 N ATOM 786 CA VAL A 52 -14.530 -4.446 -3.459 1.00 2.07 C ATOM 787 C VAL A 52 -14.175 -3.086 -4.044 1.00 1.92 C ATOM 788 O VAL A 52 -14.667 -2.748 -5.119 1.00 2.09 O ATOM 789 CB VAL A 52 -15.650 -4.421 -2.399 1.00 1.98 C ATOM 790 CG1 VAL A 52 -15.378 -3.518 -1.196 1.00 2.91 C ATOM 791 CG2 VAL A 52 -16.996 -4.042 -3.029 1.00 2.02 C ATOM 0 H VAL A 52 -12.812 -4.509 -2.267 1.00 2.13 H new ATOM 0 HA VAL A 52 -14.943 -5.034 -4.279 1.00 2.07 H new ATOM 0 HB VAL A 52 -15.683 -5.440 -2.013 1.00 1.98 H new ATOM 0 HG11 VAL A 52 -16.221 -3.567 -0.507 1.00 2.91 H new ATOM 0 HG12 VAL A 52 -14.474 -3.852 -0.687 1.00 2.91 H new ATOM 0 HG13 VAL A 52 -15.245 -2.491 -1.535 1.00 2.91 H new ATOM 0 HG21 VAL A 52 -17.768 -4.032 -2.259 1.00 2.02 H new ATOM 0 HG22 VAL A 52 -16.921 -3.053 -3.480 1.00 2.02 H new ATOM 0 HG23 VAL A 52 -17.257 -4.772 -3.795 1.00 2.02 H new ATOM 801 N ILE A 53 -13.302 -2.323 -3.374 1.00 1.71 N ATOM 802 CA ILE A 53 -12.749 -1.107 -3.938 1.00 1.68 C ATOM 803 C ILE A 53 -11.248 -1.241 -4.194 1.00 1.75 C ATOM 804 O ILE A 53 -10.659 -2.299 -3.995 1.00 1.93 O ATOM 805 CB ILE A 53 -13.148 0.094 -3.076 1.00 1.43 C ATOM 806 CG1 ILE A 53 -12.555 0.203 -1.662 1.00 2.48 C ATOM 807 CG2 ILE A 53 -14.672 0.206 -3.013 1.00 2.15 C ATOM 808 CD1 ILE A 53 -11.172 0.857 -1.658 1.00 1.81 C ATOM 0 H ILE A 53 -12.968 -2.537 -2.434 1.00 1.71 H new ATOM 0 HA ILE A 53 -13.177 -0.928 -4.925 1.00 1.68 H new ATOM 0 HB ILE A 53 -12.689 0.934 -3.598 1.00 1.43 H new ATOM 0 HG12 ILE A 53 -13.230 0.782 -1.032 1.00 2.48 H new ATOM 0 HG13 ILE A 53 -12.485 -0.792 -1.223 1.00 2.48 H new ATOM 0 HG21 ILE A 53 -14.949 1.062 -2.398 1.00 2.15 H new ATOM 0 HG22 ILE A 53 -15.069 0.338 -4.019 1.00 2.15 H new ATOM 0 HG23 ILE A 53 -15.086 -0.703 -2.576 1.00 2.15 H new ATOM 0 HD11 ILE A 53 -10.798 0.910 -0.636 1.00 1.81 H new ATOM 0 HD12 ILE A 53 -10.487 0.264 -2.265 1.00 1.81 H new ATOM 0 HD13 ILE A 53 -11.244 1.863 -2.071 1.00 1.81 H new ATOM 820 N GLN A 54 -10.619 -0.167 -4.670 1.00 1.71 N ATOM 821 CA GLN A 54 -9.202 -0.085 -4.968 1.00 1.77 C ATOM 822 C GLN A 54 -8.786 1.299 -4.478 1.00 1.72 C ATOM 823 O GLN A 54 -9.639 2.184 -4.383 1.00 1.71 O ATOM 824 CB GLN A 54 -8.990 -0.248 -6.484 1.00 1.79 C ATOM 825 CG GLN A 54 -9.211 -1.677 -7.004 1.00 1.81 C ATOM 826 CD GLN A 54 -7.975 -2.558 -6.842 1.00 2.01 C ATOM 827 OE1 GLN A 54 -7.268 -2.819 -7.810 1.00 3.11 O ATOM 828 NE2 GLN A 54 -7.680 -3.019 -5.632 1.00 1.78 N ATOM 0 H GLN A 54 -11.111 0.705 -4.865 1.00 1.71 H new ATOM 0 HA GLN A 54 -8.609 -0.864 -4.489 1.00 1.77 H new ATOM 0 HB2 GLN A 54 -9.668 0.426 -7.008 1.00 1.79 H new ATOM 0 HB3 GLN A 54 -7.976 0.064 -6.733 1.00 1.79 H new ATOM 0 HG2 GLN A 54 -10.047 -2.129 -6.470 1.00 1.81 H new ATOM 0 HG3 GLN A 54 -9.489 -1.638 -8.057 1.00 1.81 H new ATOM 0 HE21 GLN A 54 -8.280 -2.791 -4.839 1.00 1.78 H new ATOM 0 HE22 GLN A 54 -6.853 -3.601 -5.495 1.00 1.78 H new ATOM 837 N PRO A 55 -7.505 1.516 -4.156 1.00 1.71 N ATOM 838 CA PRO A 55 -7.063 2.778 -3.587 1.00 1.71 C ATOM 839 C PRO A 55 -7.372 3.938 -4.546 1.00 1.69 C ATOM 840 O PRO A 55 -7.749 5.030 -4.117 1.00 1.73 O ATOM 841 CB PRO A 55 -5.577 2.568 -3.284 1.00 1.71 C ATOM 842 CG PRO A 55 -5.136 1.470 -4.249 1.00 1.61 C ATOM 843 CD PRO A 55 -6.389 0.605 -4.363 1.00 1.70 C ATOM 0 HA PRO A 55 -7.584 3.059 -2.672 1.00 1.71 H new ATOM 0 HB2 PRO A 55 -5.008 3.484 -3.440 1.00 1.71 H new ATOM 0 HB3 PRO A 55 -5.423 2.269 -2.247 1.00 1.71 H new ATOM 0 HG2 PRO A 55 -4.834 1.876 -5.215 1.00 1.61 H new ATOM 0 HG3 PRO A 55 -4.288 0.906 -3.861 1.00 1.61 H new ATOM 0 HD2 PRO A 55 -6.449 0.126 -5.340 1.00 1.70 H new ATOM 0 HD3 PRO A 55 -6.387 -0.190 -3.618 1.00 1.70 H new ATOM 851 N LEU A 56 -7.288 3.677 -5.855 1.00 1.69 N ATOM 852 CA LEU A 56 -7.728 4.613 -6.874 1.00 1.71 C ATOM 853 C LEU A 56 -9.195 5.018 -6.672 1.00 1.83 C ATOM 854 O LEU A 56 -9.501 6.197 -6.787 1.00 1.79 O ATOM 855 CB LEU A 56 -7.510 4.045 -8.285 1.00 1.79 C ATOM 856 CG LEU A 56 -6.052 4.134 -8.774 1.00 2.46 C ATOM 857 CD1 LEU A 56 -5.122 3.143 -8.067 1.00 3.92 C ATOM 858 CD2 LEU A 56 -6.008 3.873 -10.285 1.00 2.42 C ATOM 0 H LEU A 56 -6.911 2.807 -6.230 1.00 1.69 H new ATOM 0 HA LEU A 56 -7.118 5.510 -6.773 1.00 1.71 H new ATOM 0 HB2 LEU A 56 -7.825 3.002 -8.299 1.00 1.79 H new ATOM 0 HB3 LEU A 56 -8.151 4.581 -8.985 1.00 1.79 H new ATOM 0 HG LEU A 56 -5.696 5.137 -8.538 1.00 2.46 H new ATOM 0 HD11 LEU A 56 -4.109 3.254 -8.455 1.00 3.92 H new ATOM 0 HD12 LEU A 56 -5.124 3.343 -6.995 1.00 3.92 H new ATOM 0 HD13 LEU A 56 -5.470 2.126 -8.247 1.00 3.92 H new ATOM 0 HD21 LEU A 56 -4.978 3.935 -10.635 1.00 2.42 H new ATOM 0 HD22 LEU A 56 -6.403 2.879 -10.494 1.00 2.42 H new ATOM 0 HD23 LEU A 56 -6.612 4.619 -10.801 1.00 2.42 H new ATOM 870 N GLU A 57 -10.104 4.087 -6.371 1.00 1.97 N ATOM 871 CA GLU A 57 -11.533 4.386 -6.286 1.00 1.99 C ATOM 872 C GLU A 57 -11.821 5.338 -5.124 1.00 1.85 C ATOM 873 O GLU A 57 -12.543 6.325 -5.280 1.00 1.81 O ATOM 874 CB GLU A 57 -12.344 3.092 -6.153 1.00 2.19 C ATOM 875 CG GLU A 57 -12.126 2.157 -7.351 1.00 1.81 C ATOM 876 CD GLU A 57 -12.620 2.771 -8.654 1.00 1.92 C ATOM 877 OE1 GLU A 57 -13.844 3.005 -8.739 1.00 2.69 O ATOM 878 OE2 GLU A 57 -11.760 3.004 -9.530 1.00 2.69 O ATOM 0 H GLU A 57 -9.871 3.112 -6.181 1.00 1.97 H new ATOM 0 HA GLU A 57 -11.836 4.884 -7.207 1.00 1.99 H new ATOM 0 HB2 GLU A 57 -12.060 2.578 -5.235 1.00 2.19 H new ATOM 0 HB3 GLU A 57 -13.403 3.334 -6.069 1.00 2.19 H new ATOM 0 HG2 GLU A 57 -11.065 1.924 -7.440 1.00 1.81 H new ATOM 0 HG3 GLU A 57 -12.646 1.215 -7.175 1.00 1.81 H new ATOM 885 N ILE A 58 -11.191 5.079 -3.973 1.00 1.81 N ATOM 886 CA ILE A 58 -11.190 6.017 -2.863 1.00 1.67 C ATOM 887 C ILE A 58 -10.741 7.359 -3.414 1.00 1.61 C ATOM 888 O ILE A 58 -11.446 8.362 -3.286 1.00 1.52 O ATOM 889 CB ILE A 58 -10.246 5.510 -1.755 1.00 1.61 C ATOM 890 CG1 ILE A 58 -11.030 4.554 -0.850 1.00 1.80 C ATOM 891 CG2 ILE A 58 -9.645 6.664 -0.923 1.00 1.88 C ATOM 892 CD1 ILE A 58 -10.080 3.660 -0.055 1.00 1.75 C ATOM 0 H ILE A 58 -10.674 4.219 -3.793 1.00 1.81 H new ATOM 0 HA ILE A 58 -12.180 6.116 -2.418 1.00 1.67 H new ATOM 0 HB ILE A 58 -9.408 4.994 -2.223 1.00 1.61 H new ATOM 0 HG12 ILE A 58 -11.657 5.126 -0.166 1.00 1.80 H new ATOM 0 HG13 ILE A 58 -11.696 3.938 -1.454 1.00 1.80 H new ATOM 0 HG21 ILE A 58 -8.987 6.255 -0.156 1.00 1.88 H new ATOM 0 HG22 ILE A 58 -9.074 7.324 -1.576 1.00 1.88 H new ATOM 0 HG23 ILE A 58 -10.449 7.228 -0.449 1.00 1.88 H new ATOM 0 HD11 ILE A 58 -10.658 2.989 0.581 1.00 1.75 H new ATOM 0 HD12 ILE A 58 -9.471 3.073 -0.743 1.00 1.75 H new ATOM 0 HD13 ILE A 58 -9.432 4.279 0.565 1.00 1.75 H new ATOM 904 N ALA A 59 -9.562 7.364 -4.043 1.00 1.72 N ATOM 905 CA ALA A 59 -8.979 8.600 -4.506 1.00 1.69 C ATOM 906 C ALA A 59 -9.936 9.346 -5.437 1.00 1.69 C ATOM 907 O ALA A 59 -10.108 10.551 -5.288 1.00 1.66 O ATOM 908 CB ALA A 59 -7.601 8.369 -5.132 1.00 1.80 C ATOM 0 H ALA A 59 -9.008 6.530 -4.236 1.00 1.72 H new ATOM 0 HA ALA A 59 -8.818 9.245 -3.642 1.00 1.69 H new ATOM 0 HB1 ALA A 59 -7.191 9.321 -5.470 1.00 1.80 H new ATOM 0 HB2 ALA A 59 -6.934 7.929 -4.391 1.00 1.80 H new ATOM 0 HB3 ALA A 59 -7.696 7.693 -5.982 1.00 1.80 H new ATOM 914 N GLN A 60 -10.589 8.645 -6.366 1.00 1.76 N ATOM 915 CA GLN A 60 -11.535 9.215 -7.303 1.00 1.81 C ATOM 916 C GLN A 60 -12.619 9.978 -6.551 1.00 1.66 C ATOM 917 O GLN A 60 -12.890 11.123 -6.897 1.00 1.67 O ATOM 918 CB GLN A 60 -12.143 8.121 -8.194 1.00 1.98 C ATOM 919 CG GLN A 60 -11.205 7.557 -9.270 1.00 2.64 C ATOM 920 CD GLN A 60 -10.775 8.604 -10.290 1.00 2.08 C ATOM 921 OE1 GLN A 60 -11.427 8.798 -11.310 1.00 2.48 O ATOM 922 NE2 GLN A 60 -9.660 9.284 -10.036 1.00 1.92 N ATOM 0 H GLN A 60 -10.465 7.639 -6.483 1.00 1.76 H new ATOM 0 HA GLN A 60 -11.009 9.916 -7.952 1.00 1.81 H new ATOM 0 HB2 GLN A 60 -12.475 7.300 -7.558 1.00 1.98 H new ATOM 0 HB3 GLN A 60 -13.030 8.524 -8.683 1.00 1.98 H new ATOM 0 HG2 GLN A 60 -10.320 7.139 -8.790 1.00 2.64 H new ATOM 0 HG3 GLN A 60 -11.704 6.737 -9.787 1.00 2.64 H new ATOM 0 HE21 GLN A 60 -9.136 9.103 -9.180 1.00 1.92 H new ATOM 0 HE22 GLN A 60 -9.329 9.986 -10.698 1.00 1.92 H new ATOM 931 N PHE A 61 -13.189 9.385 -5.496 1.00 1.54 N ATOM 932 CA PHE A 61 -14.177 10.083 -4.679 1.00 1.40 C ATOM 933 C PHE A 61 -13.598 11.410 -4.185 1.00 1.29 C ATOM 934 O PHE A 61 -14.234 12.457 -4.299 1.00 1.34 O ATOM 935 CB PHE A 61 -14.661 9.201 -3.514 1.00 1.31 C ATOM 936 CG PHE A 61 -16.077 8.686 -3.689 1.00 1.57 C ATOM 937 CD1 PHE A 61 -16.349 7.718 -4.671 1.00 2.97 C ATOM 938 CD2 PHE A 61 -17.127 9.201 -2.904 1.00 1.84 C ATOM 939 CE1 PHE A 61 -17.662 7.249 -4.855 1.00 3.44 C ATOM 940 CE2 PHE A 61 -18.442 8.742 -3.096 1.00 1.99 C ATOM 941 CZ PHE A 61 -18.707 7.757 -4.064 1.00 2.45 C ATOM 0 H PHE A 61 -12.983 8.433 -5.193 1.00 1.54 H new ATOM 0 HA PHE A 61 -15.051 10.300 -5.293 1.00 1.40 H new ATOM 0 HB2 PHE A 61 -13.985 8.352 -3.407 1.00 1.31 H new ATOM 0 HB3 PHE A 61 -14.603 9.773 -2.588 1.00 1.31 H new ATOM 0 HD1 PHE A 61 -15.548 7.334 -5.285 1.00 2.97 H new ATOM 0 HD2 PHE A 61 -16.922 9.950 -2.153 1.00 1.84 H new ATOM 0 HE1 PHE A 61 -17.867 6.499 -5.604 1.00 3.44 H new ATOM 0 HE2 PHE A 61 -19.248 9.145 -2.501 1.00 1.99 H new ATOM 0 HZ PHE A 61 -19.714 7.391 -4.200 1.00 2.45 H new ATOM 951 N ILE A 62 -12.376 11.374 -3.648 1.00 1.19 N ATOM 952 CA ILE A 62 -11.714 12.573 -3.149 1.00 1.11 C ATOM 953 C ILE A 62 -11.527 13.612 -4.269 1.00 1.26 C ATOM 954 O ILE A 62 -11.770 14.807 -4.062 1.00 1.30 O ATOM 955 CB ILE A 62 -10.389 12.217 -2.447 1.00 1.00 C ATOM 956 CG1 ILE A 62 -10.509 11.066 -1.436 1.00 1.68 C ATOM 957 CG2 ILE A 62 -9.816 13.453 -1.748 1.00 1.08 C ATOM 958 CD1 ILE A 62 -11.751 11.143 -0.548 1.00 2.99 C ATOM 0 H ILE A 62 -11.826 10.521 -3.549 1.00 1.19 H new ATOM 0 HA ILE A 62 -12.357 13.035 -2.400 1.00 1.11 H new ATOM 0 HB ILE A 62 -9.717 11.872 -3.233 1.00 1.00 H new ATOM 0 HG12 ILE A 62 -10.521 10.120 -1.978 1.00 1.68 H new ATOM 0 HG13 ILE A 62 -9.622 11.059 -0.802 1.00 1.68 H new ATOM 0 HG21 ILE A 62 -8.880 13.191 -1.255 1.00 1.08 H new ATOM 0 HG22 ILE A 62 -9.632 14.235 -2.485 1.00 1.08 H new ATOM 0 HG23 ILE A 62 -10.528 13.814 -1.006 1.00 1.08 H new ATOM 0 HD11 ILE A 62 -11.762 10.295 0.137 1.00 2.99 H new ATOM 0 HD12 ILE A 62 -11.733 12.071 0.023 1.00 2.99 H new ATOM 0 HD13 ILE A 62 -12.645 11.118 -1.170 1.00 2.99 H new ATOM 970 N GLN A 63 -11.108 13.165 -5.459 1.00 1.41 N ATOM 971 CA GLN A 63 -10.888 14.059 -6.583 1.00 1.56 C ATOM 972 C GLN A 63 -12.214 14.700 -7.011 1.00 1.69 C ATOM 973 O GLN A 63 -12.265 15.906 -7.232 1.00 1.76 O ATOM 974 CB GLN A 63 -10.217 13.348 -7.769 1.00 1.68 C ATOM 975 CG GLN A 63 -8.931 12.544 -7.509 1.00 2.26 C ATOM 976 CD GLN A 63 -8.040 13.087 -6.394 1.00 1.67 C ATOM 977 OE1 GLN A 63 -7.236 13.985 -6.609 1.00 2.01 O ATOM 978 NE2 GLN A 63 -8.145 12.502 -5.204 1.00 1.85 N ATOM 0 H GLN A 63 -10.916 12.184 -5.661 1.00 1.41 H new ATOM 0 HA GLN A 63 -10.202 14.840 -6.255 1.00 1.56 H new ATOM 0 HB2 GLN A 63 -10.949 12.670 -8.207 1.00 1.68 H new ATOM 0 HB3 GLN A 63 -9.990 14.102 -8.523 1.00 1.68 H new ATOM 0 HG2 GLN A 63 -9.206 11.518 -7.265 1.00 2.26 H new ATOM 0 HG3 GLN A 63 -8.351 12.508 -8.431 1.00 2.26 H new ATOM 0 HE21 GLN A 63 -8.826 11.757 -5.060 1.00 1.85 H new ATOM 0 HE22 GLN A 63 -7.544 12.799 -4.435 1.00 1.85 H new ATOM 987 N ASP A 64 -13.283 13.901 -7.107 1.00 1.74 N ATOM 988 CA ASP A 64 -14.615 14.366 -7.486 1.00 1.92 C ATOM 989 C ASP A 64 -15.116 15.392 -6.474 1.00 1.93 C ATOM 990 O ASP A 64 -15.666 16.426 -6.847 1.00 2.18 O ATOM 991 CB ASP A 64 -15.604 13.181 -7.576 1.00 1.96 C ATOM 992 CG ASP A 64 -16.003 12.769 -8.992 1.00 3.34 C ATOM 993 OD1 ASP A 64 -15.802 13.571 -9.930 1.00 3.78 O ATOM 994 OD2 ASP A 64 -16.545 11.649 -9.106 1.00 4.67 O ATOM 0 H ASP A 64 -13.243 12.899 -6.920 1.00 1.74 H new ATOM 0 HA ASP A 64 -14.551 14.834 -8.468 1.00 1.92 H new ATOM 0 HB2 ASP A 64 -15.160 12.320 -7.076 1.00 1.96 H new ATOM 0 HB3 ASP A 64 -16.507 13.440 -7.023 1.00 1.96 H new ATOM 999 N LEU A 65 -14.924 15.111 -5.181 1.00 1.70 N ATOM 1000 CA LEU A 65 -15.204 16.030 -4.109 1.00 1.71 C ATOM 1001 C LEU A 65 -14.444 17.342 -4.367 1.00 1.85 C ATOM 1002 O LEU A 65 -15.020 18.423 -4.263 1.00 2.16 O ATOM 1003 CB LEU A 65 -14.862 15.304 -2.789 1.00 1.52 C ATOM 1004 CG LEU A 65 -14.241 16.203 -1.734 1.00 1.69 C ATOM 1005 CD1 LEU A 65 -15.271 17.223 -1.255 1.00 3.10 C ATOM 1006 CD2 LEU A 65 -13.720 15.385 -0.555 1.00 2.88 C ATOM 0 H LEU A 65 -14.561 14.214 -4.859 1.00 1.70 H new ATOM 0 HA LEU A 65 -16.252 16.324 -4.042 1.00 1.71 H new ATOM 0 HB2 LEU A 65 -15.771 14.860 -2.384 1.00 1.52 H new ATOM 0 HB3 LEU A 65 -14.176 14.485 -3.004 1.00 1.52 H new ATOM 0 HG LEU A 65 -13.395 16.727 -2.180 1.00 1.69 H new ATOM 0 HD11 LEU A 65 -14.822 17.866 -0.498 1.00 3.10 H new ATOM 0 HD12 LEU A 65 -15.601 17.830 -2.098 1.00 3.10 H new ATOM 0 HD13 LEU A 65 -16.127 16.702 -0.826 1.00 3.10 H new ATOM 0 HD21 LEU A 65 -13.281 16.053 0.186 1.00 2.88 H new ATOM 0 HD22 LEU A 65 -14.544 14.833 -0.102 1.00 2.88 H new ATOM 0 HD23 LEU A 65 -12.963 14.683 -0.905 1.00 2.88 H new ATOM 1018 N GLY A 66 -13.153 17.242 -4.699 1.00 1.68 N ATOM 1019 CA GLY A 66 -12.315 18.380 -5.061 1.00 1.72 C ATOM 1020 C GLY A 66 -11.142 18.555 -4.101 1.00 1.56 C ATOM 1021 O GLY A 66 -10.721 19.680 -3.840 1.00 1.65 O ATOM 0 H GLY A 66 -12.657 16.351 -4.723 1.00 1.68 H new ATOM 0 HA2 GLY A 66 -11.937 18.244 -6.074 1.00 1.72 H new ATOM 0 HA3 GLY A 66 -12.918 19.288 -5.065 1.00 1.72 H new ATOM 1025 N PHE A 67 -10.604 17.447 -3.588 1.00 1.37 N ATOM 1026 CA PHE A 67 -9.384 17.401 -2.797 1.00 1.24 C ATOM 1027 C PHE A 67 -8.358 16.529 -3.509 1.00 1.13 C ATOM 1028 O PHE A 67 -8.731 15.730 -4.364 1.00 1.15 O ATOM 1029 CB PHE A 67 -9.714 16.770 -1.447 1.00 1.13 C ATOM 1030 CG PHE A 67 -10.023 17.770 -0.370 1.00 1.01 C ATOM 1031 CD1 PHE A 67 -8.989 18.272 0.432 1.00 1.54 C ATOM 1032 CD2 PHE A 67 -11.353 18.117 -0.100 1.00 2.33 C ATOM 1033 CE1 PHE A 67 -9.296 19.032 1.569 1.00 1.67 C ATOM 1034 CE2 PHE A 67 -11.665 18.821 1.066 1.00 2.26 C ATOM 1035 CZ PHE A 67 -10.636 19.283 1.905 1.00 1.06 C ATOM 0 H PHE A 67 -11.025 16.527 -3.720 1.00 1.37 H new ATOM 0 HA PHE A 67 -8.983 18.406 -2.664 1.00 1.24 H new ATOM 0 HB2 PHE A 67 -10.568 16.104 -1.567 1.00 1.13 H new ATOM 0 HB3 PHE A 67 -8.872 16.155 -1.128 1.00 1.13 H new ATOM 0 HD1 PHE A 67 -7.959 18.074 0.175 1.00 1.54 H new ATOM 0 HD2 PHE A 67 -12.135 17.841 -0.791 1.00 2.33 H new ATOM 0 HE1 PHE A 67 -8.502 19.425 2.187 1.00 1.67 H new ATOM 0 HE2 PHE A 67 -12.697 19.010 1.323 1.00 2.26 H new ATOM 0 HZ PHE A 67 -10.875 19.829 2.805 1.00 1.06 H new ATOM 1045 N GLU A 68 -7.092 16.608 -3.085 1.00 1.05 N ATOM 1046 CA GLU A 68 -6.123 15.581 -3.428 1.00 1.00 C ATOM 1047 C GLU A 68 -5.977 14.644 -2.237 1.00 0.93 C ATOM 1048 O GLU A 68 -5.891 15.100 -1.095 1.00 1.09 O ATOM 1049 CB GLU A 68 -4.757 16.174 -3.751 1.00 1.03 C ATOM 1050 CG GLU A 68 -4.740 17.101 -4.969 1.00 1.24 C ATOM 1051 CD GLU A 68 -3.301 17.480 -5.321 1.00 1.32 C ATOM 1052 OE1 GLU A 68 -2.432 16.581 -5.261 1.00 2.18 O ATOM 1053 OE2 GLU A 68 -3.071 18.678 -5.583 1.00 2.04 O ATOM 0 H GLU A 68 -6.725 17.366 -2.510 1.00 1.05 H new ATOM 0 HA GLU A 68 -6.480 15.054 -4.313 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -4.401 16.729 -2.883 1.00 1.03 H new ATOM 0 HB3 GLU A 68 -4.052 15.360 -3.920 1.00 1.03 H new ATOM 0 HG2 GLU A 68 -5.212 16.607 -5.818 1.00 1.24 H new ATOM 0 HG3 GLU A 68 -5.320 18.000 -4.760 1.00 1.24 H new ATOM 1060 N ALA A 69 -5.893 13.347 -2.534 1.00 0.80 N ATOM 1061 CA ALA A 69 -5.463 12.301 -1.623 1.00 0.75 C ATOM 1062 C ALA A 69 -4.316 11.588 -2.325 1.00 0.79 C ATOM 1063 O ALA A 69 -4.506 11.116 -3.443 1.00 0.95 O ATOM 1064 CB ALA A 69 -6.608 11.323 -1.351 1.00 0.93 C ATOM 0 H ALA A 69 -6.135 12.987 -3.457 1.00 0.80 H new ATOM 0 HA ALA A 69 -5.156 12.710 -0.661 1.00 0.75 H new ATOM 0 HB1 ALA A 69 -6.268 10.546 -0.666 1.00 0.93 H new ATOM 0 HB2 ALA A 69 -7.446 11.859 -0.904 1.00 0.93 H new ATOM 0 HB3 ALA A 69 -6.927 10.867 -2.288 1.00 0.93 H new ATOM 1070 N ALA A 70 -3.139 11.526 -1.699 1.00 0.74 N ATOM 1071 CA ALA A 70 -2.012 10.766 -2.226 1.00 0.85 C ATOM 1072 C ALA A 70 -1.391 9.974 -1.087 1.00 0.75 C ATOM 1073 O ALA A 70 -1.357 10.450 0.049 1.00 0.71 O ATOM 1074 CB ALA A 70 -0.985 11.684 -2.892 1.00 0.98 C ATOM 0 H ALA A 70 -2.944 12.000 -0.817 1.00 0.74 H new ATOM 0 HA ALA A 70 -2.362 10.080 -2.998 1.00 0.85 H new ATOM 0 HB1 ALA A 70 -0.157 11.087 -3.275 1.00 0.98 H new ATOM 0 HB2 ALA A 70 -1.456 12.220 -3.715 1.00 0.98 H new ATOM 0 HB3 ALA A 70 -0.609 12.400 -2.161 1.00 0.98 H new ATOM 1080 N VAL A 71 -0.942 8.755 -1.386 1.00 0.88 N ATOM 1081 CA VAL A 71 -0.371 7.854 -0.433 1.00 0.95 C ATOM 1082 C VAL A 71 0.963 8.409 0.056 1.00 1.12 C ATOM 1083 O VAL A 71 1.771 8.888 -0.735 1.00 1.20 O ATOM 1084 CB VAL A 71 -0.328 6.423 -1.016 1.00 1.20 C ATOM 1085 CG1 VAL A 71 -0.024 6.335 -2.516 1.00 2.14 C ATOM 1086 CG2 VAL A 71 0.702 5.571 -0.296 1.00 2.85 C ATOM 0 H VAL A 71 -0.975 8.373 -2.331 1.00 0.88 H new ATOM 0 HA VAL A 71 -0.992 7.770 0.459 1.00 0.95 H new ATOM 0 HB VAL A 71 -1.343 6.056 -0.864 1.00 1.20 H new ATOM 0 HG11 VAL A 71 -0.017 5.290 -2.825 1.00 2.14 H new ATOM 0 HG12 VAL A 71 -0.790 6.873 -3.075 1.00 2.14 H new ATOM 0 HG13 VAL A 71 0.951 6.779 -2.716 1.00 2.14 H new ATOM 0 HG21 VAL A 71 0.711 4.570 -0.726 1.00 2.85 H new ATOM 0 HG22 VAL A 71 1.688 6.022 -0.406 1.00 2.85 H new ATOM 0 HG23 VAL A 71 0.447 5.509 0.762 1.00 2.85 H new ATOM 1096 N MET A 72 1.173 8.332 1.371 1.00 1.41 N ATOM 1097 CA MET A 72 2.465 8.545 1.999 1.00 1.76 C ATOM 1098 C MET A 72 3.496 7.638 1.343 1.00 2.01 C ATOM 1099 O MET A 72 4.533 8.095 0.876 1.00 2.30 O ATOM 1100 CB MET A 72 2.332 8.148 3.473 1.00 2.05 C ATOM 1101 CG MET A 72 1.732 9.289 4.311 1.00 2.92 C ATOM 1102 SD MET A 72 2.742 9.852 5.710 1.00 3.91 S ATOM 1103 CE MET A 72 4.271 10.345 4.875 1.00 4.27 C ATOM 0 H MET A 72 0.431 8.115 2.037 1.00 1.41 H new ATOM 0 HA MET A 72 2.775 9.585 1.897 1.00 1.76 H new ATOM 0 HB2 MET A 72 1.702 7.263 3.557 1.00 2.05 H new ATOM 0 HB3 MET A 72 3.312 7.880 3.869 1.00 2.05 H new ATOM 0 HG2 MET A 72 1.547 10.139 3.654 1.00 2.92 H new ATOM 0 HG3 MET A 72 0.764 8.965 4.693 1.00 2.92 H new ATOM 0 HE1 MET A 72 4.860 10.979 5.538 1.00 4.27 H new ATOM 0 HE2 MET A 72 4.847 9.457 4.617 1.00 4.27 H new ATOM 0 HE3 MET A 72 4.028 10.897 3.967 1.00 4.27 H new ATOM 1201 N GLY A 80 -2.664 -9.457 -1.237 1.00 1.85 N ATOM 1202 CA GLY A 80 -2.195 -9.795 -2.562 1.00 2.03 C ATOM 1203 C GLY A 80 -1.250 -8.704 -3.014 1.00 1.87 C ATOM 1204 O GLY A 80 -0.094 -8.968 -3.331 1.00 1.93 O ATOM 0 HA2 GLY A 80 -1.687 -10.759 -2.552 1.00 2.03 H new ATOM 0 HA3 GLY A 80 -3.034 -9.883 -3.252 1.00 2.03 H new ATOM 1208 N ASN A 81 -1.714 -7.458 -2.935 1.00 1.94 N ATOM 1209 CA ASN A 81 -0.953 -6.296 -3.323 1.00 2.02 C ATOM 1210 C ASN A 81 -0.251 -5.808 -2.082 1.00 2.13 C ATOM 1211 O ASN A 81 -0.733 -4.865 -1.465 1.00 2.51 O ATOM 1212 CB ASN A 81 -1.889 -5.184 -3.838 1.00 2.03 C ATOM 1213 CG ASN A 81 -1.144 -4.000 -4.451 1.00 2.58 C ATOM 1214 OD1 ASN A 81 -1.271 -3.717 -5.641 1.00 3.49 O ATOM 1215 ND2 ASN A 81 -0.313 -3.298 -3.685 1.00 2.45 N ATOM 0 H ASN A 81 -2.648 -7.235 -2.592 1.00 1.94 H new ATOM 0 HA ASN A 81 -0.251 -6.547 -4.119 1.00 2.02 H new ATOM 0 HB2 ASN A 81 -2.564 -5.604 -4.583 1.00 2.03 H new ATOM 0 HB3 ASN A 81 -2.506 -4.828 -3.013 1.00 2.03 H new ATOM 0 HD21 ASN A 81 0.219 -2.525 -4.085 1.00 2.45 H new ATOM 0 HD22 ASN A 81 -0.208 -3.533 -2.698 1.00 2.45 H new ATOM 1222 N ILE A 82 0.863 -6.427 -1.697 1.00 1.87 N ATOM 1223 CA ILE A 82 1.588 -5.982 -0.524 1.00 1.91 C ATOM 1224 C ILE A 82 3.012 -5.610 -0.872 1.00 1.74 C ATOM 1225 O ILE A 82 3.591 -6.150 -1.812 1.00 1.60 O ATOM 1226 CB ILE A 82 1.426 -6.944 0.651 1.00 1.88 C ATOM 1227 CG1 ILE A 82 2.645 -7.845 0.843 1.00 2.02 C ATOM 1228 CG2 ILE A 82 0.090 -7.709 0.551 1.00 3.13 C ATOM 1229 CD1 ILE A 82 2.310 -8.795 1.976 1.00 2.67 C ATOM 0 H ILE A 82 1.274 -7.227 -2.177 1.00 1.87 H new ATOM 0 HA ILE A 82 1.139 -5.057 -0.162 1.00 1.91 H new ATOM 0 HB ILE A 82 1.377 -6.355 1.567 1.00 1.88 H new ATOM 0 HG12 ILE A 82 2.867 -8.396 -0.071 1.00 2.02 H new ATOM 0 HG13 ILE A 82 3.529 -7.254 1.082 1.00 2.02 H new ATOM 0 HG21 ILE A 82 -0.004 -8.389 1.398 1.00 3.13 H new ATOM 0 HG22 ILE A 82 -0.737 -6.999 0.561 1.00 3.13 H new ATOM 0 HG23 ILE A 82 0.067 -8.280 -0.377 1.00 3.13 H new ATOM 0 HD11 ILE A 82 3.153 -9.463 2.153 1.00 2.67 H new ATOM 0 HD12 ILE A 82 2.104 -8.224 2.881 1.00 2.67 H new ATOM 0 HD13 ILE A 82 1.431 -9.383 1.710 1.00 2.67 H new ATOM 1241 N GLU A 83 3.552 -4.641 -0.134 1.00 1.89 N ATOM 1242 CA GLU A 83 4.930 -4.252 -0.250 1.00 1.78 C ATOM 1243 C GLU A 83 5.721 -4.916 0.864 1.00 1.72 C ATOM 1244 O GLU A 83 5.150 -5.269 1.896 1.00 1.89 O ATOM 1245 CB GLU A 83 5.072 -2.731 -0.235 1.00 1.93 C ATOM 1246 CG GLU A 83 4.691 -2.108 1.112 1.00 1.74 C ATOM 1247 CD GLU A 83 5.936 -1.576 1.821 1.00 2.06 C ATOM 1248 OE1 GLU A 83 6.736 -2.400 2.323 1.00 2.80 O ATOM 1249 OE2 GLU A 83 6.104 -0.341 1.769 1.00 2.82 O ATOM 0 H GLU A 83 3.030 -4.109 0.562 1.00 1.89 H new ATOM 0 HA GLU A 83 5.331 -4.586 -1.207 1.00 1.78 H new ATOM 0 HB2 GLU A 83 6.102 -2.465 -0.474 1.00 1.93 H new ATOM 0 HB3 GLU A 83 4.443 -2.305 -1.017 1.00 1.93 H new ATOM 0 HG2 GLU A 83 3.978 -1.298 0.957 1.00 1.74 H new ATOM 0 HG3 GLU A 83 4.198 -2.852 1.738 1.00 1.74 H new ATOM 1256 N LEU A 84 7.017 -5.103 0.635 1.00 1.55 N ATOM 1257 CA LEU A 84 7.951 -5.491 1.662 1.00 1.46 C ATOM 1258 C LEU A 84 9.173 -4.605 1.538 1.00 1.33 C ATOM 1259 O LEU A 84 9.606 -4.295 0.433 1.00 1.31 O ATOM 1260 CB LEU A 84 8.318 -6.981 1.580 1.00 1.37 C ATOM 1261 CG LEU A 84 7.136 -7.939 1.329 1.00 1.67 C ATOM 1262 CD1 LEU A 84 6.830 -8.082 -0.168 1.00 2.92 C ATOM 1263 CD2 LEU A 84 7.471 -9.334 1.861 1.00 2.25 C ATOM 0 H LEU A 84 7.444 -4.985 -0.284 1.00 1.55 H new ATOM 0 HA LEU A 84 7.492 -5.358 2.641 1.00 1.46 H new ATOM 0 HB2 LEU A 84 9.048 -7.115 0.782 1.00 1.37 H new ATOM 0 HB3 LEU A 84 8.807 -7.269 2.511 1.00 1.37 H new ATOM 0 HG LEU A 84 6.271 -7.517 1.841 1.00 1.67 H new ATOM 0 HD11 LEU A 84 5.991 -8.765 -0.304 1.00 2.92 H new ATOM 0 HD12 LEU A 84 6.575 -7.107 -0.582 1.00 2.92 H new ATOM 0 HD13 LEU A 84 7.706 -8.476 -0.682 1.00 2.92 H new ATOM 0 HD21 LEU A 84 6.631 -10.004 1.680 1.00 2.25 H new ATOM 0 HD22 LEU A 84 8.356 -9.715 1.351 1.00 2.25 H new ATOM 0 HD23 LEU A 84 7.666 -9.278 2.932 1.00 2.25 H new ATOM 1275 N THR A 85 9.745 -4.217 2.670 1.00 1.34 N ATOM 1276 CA THR A 85 10.902 -3.348 2.708 1.00 1.29 C ATOM 1277 C THR A 85 12.129 -4.244 2.830 1.00 1.09 C ATOM 1278 O THR A 85 12.176 -5.082 3.731 1.00 1.09 O ATOM 1279 CB THR A 85 10.740 -2.367 3.873 1.00 1.58 C ATOM 1280 OG1 THR A 85 9.663 -1.497 3.582 1.00 2.60 O ATOM 1281 CG2 THR A 85 12.009 -1.544 4.113 1.00 2.13 C ATOM 0 H THR A 85 9.413 -4.501 3.592 1.00 1.34 H new ATOM 0 HA THR A 85 11.013 -2.743 1.808 1.00 1.29 H new ATOM 0 HB THR A 85 10.546 -2.940 4.780 1.00 1.58 H new ATOM 0 HG1 THR A 85 9.546 -0.863 4.320 1.00 2.60 H new ATOM 0 HG21 THR A 85 11.848 -0.862 4.948 1.00 2.13 H new ATOM 0 HG22 THR A 85 12.838 -2.213 4.345 1.00 2.13 H new ATOM 0 HG23 THR A 85 12.246 -0.970 3.217 1.00 2.13 H new ATOM 1289 N ILE A 86 13.079 -4.110 1.896 1.00 0.99 N ATOM 1290 CA ILE A 86 14.237 -4.997 1.789 1.00 0.89 C ATOM 1291 C ILE A 86 15.460 -4.342 2.424 1.00 0.93 C ATOM 1292 O ILE A 86 15.980 -3.354 1.908 1.00 1.01 O ATOM 1293 CB ILE A 86 14.519 -5.485 0.349 1.00 0.81 C ATOM 1294 CG1 ILE A 86 13.750 -4.755 -0.759 1.00 0.96 C ATOM 1295 CG2 ILE A 86 14.179 -6.977 0.245 1.00 1.17 C ATOM 1296 CD1 ILE A 86 14.318 -3.363 -1.024 1.00 1.62 C ATOM 0 H ILE A 86 13.062 -3.375 1.189 1.00 0.99 H new ATOM 0 HA ILE A 86 13.995 -5.903 2.345 1.00 0.89 H new ATOM 0 HB ILE A 86 15.576 -5.274 0.185 1.00 0.81 H new ATOM 0 HG12 ILE A 86 13.788 -5.343 -1.676 1.00 0.96 H new ATOM 0 HG13 ILE A 86 12.700 -4.671 -0.478 1.00 0.96 H new ATOM 0 HG21 ILE A 86 14.376 -7.325 -0.769 1.00 1.17 H new ATOM 0 HG22 ILE A 86 14.793 -7.540 0.948 1.00 1.17 H new ATOM 0 HG23 ILE A 86 13.126 -7.128 0.482 1.00 1.17 H new ATOM 0 HD11 ILE A 86 13.745 -2.881 -1.816 1.00 1.62 H new ATOM 0 HD12 ILE A 86 14.255 -2.765 -0.115 1.00 1.62 H new ATOM 0 HD13 ILE A 86 15.360 -3.448 -1.331 1.00 1.62 H new ATOM 1308 N THR A 87 15.926 -4.905 3.540 1.00 1.03 N ATOM 1309 CA THR A 87 17.128 -4.449 4.228 1.00 1.13 C ATOM 1310 C THR A 87 18.286 -5.389 3.872 1.00 1.12 C ATOM 1311 O THR A 87 18.103 -6.607 3.854 1.00 1.17 O ATOM 1312 CB THR A 87 16.851 -4.385 5.737 1.00 1.29 C ATOM 1313 OG1 THR A 87 15.694 -3.604 5.959 1.00 1.95 O ATOM 1314 CG2 THR A 87 18.006 -3.753 6.518 1.00 1.44 C ATOM 0 H THR A 87 15.473 -5.698 3.994 1.00 1.03 H new ATOM 0 HA THR A 87 17.411 -3.445 3.912 1.00 1.13 H new ATOM 0 HB THR A 87 16.722 -5.409 6.087 1.00 1.29 H new ATOM 0 HG1 THR A 87 15.509 -3.559 6.920 1.00 1.95 H new ATOM 0 HG21 THR A 87 17.759 -3.732 7.579 1.00 1.44 H new ATOM 0 HG22 THR A 87 18.912 -4.341 6.368 1.00 1.44 H new ATOM 0 HG23 THR A 87 18.171 -2.735 6.164 1.00 1.44 H new ATOM 1322 N GLY A 88 19.461 -4.822 3.566 1.00 1.19 N ATOM 1323 CA GLY A 88 20.691 -5.558 3.269 1.00 1.27 C ATOM 1324 C GLY A 88 21.100 -5.436 1.798 1.00 1.17 C ATOM 1325 O GLY A 88 22.282 -5.487 1.470 1.00 1.28 O ATOM 0 H GLY A 88 19.582 -3.810 3.518 1.00 1.19 H new ATOM 0 HA2 GLY A 88 21.497 -5.184 3.900 1.00 1.27 H new ATOM 0 HA3 GLY A 88 20.552 -6.610 3.519 1.00 1.27 H new ATOM 1329 N MET A 89 20.117 -5.285 0.910 1.00 1.05 N ATOM 1330 CA MET A 89 20.318 -5.084 -0.516 1.00 1.04 C ATOM 1331 C MET A 89 21.120 -3.800 -0.784 1.00 1.15 C ATOM 1332 O MET A 89 20.743 -2.738 -0.296 1.00 1.29 O ATOM 1333 CB MET A 89 18.921 -5.045 -1.159 1.00 1.09 C ATOM 1334 CG MET A 89 18.848 -4.464 -2.582 1.00 1.48 C ATOM 1335 SD MET A 89 17.626 -3.148 -2.813 1.00 2.17 S ATOM 1336 CE MET A 89 18.161 -1.880 -1.640 1.00 2.82 C ATOM 0 H MET A 89 19.132 -5.300 1.176 1.00 1.05 H new ATOM 0 HA MET A 89 20.905 -5.893 -0.951 1.00 1.04 H new ATOM 0 HB2 MET A 89 18.525 -6.060 -1.182 1.00 1.09 H new ATOM 0 HB3 MET A 89 18.263 -4.461 -0.516 1.00 1.09 H new ATOM 0 HG2 MET A 89 19.831 -4.077 -2.850 1.00 1.48 H new ATOM 0 HG3 MET A 89 18.623 -5.273 -3.277 1.00 1.48 H new ATOM 0 HE1 MET A 89 17.496 -1.019 -1.707 1.00 2.82 H new ATOM 0 HE2 MET A 89 18.131 -2.284 -0.628 1.00 2.82 H new ATOM 0 HE3 MET A 89 19.179 -1.571 -1.877 1.00 2.82 H new ATOM 1346 N THR A 90 22.162 -3.896 -1.624 1.00 1.24 N ATOM 1347 CA THR A 90 22.947 -2.753 -2.091 1.00 1.43 C ATOM 1348 C THR A 90 23.478 -3.016 -3.512 1.00 1.39 C ATOM 1349 O THR A 90 24.655 -2.793 -3.783 1.00 1.54 O ATOM 1350 CB THR A 90 24.097 -2.461 -1.100 1.00 1.82 C ATOM 1351 OG1 THR A 90 23.652 -2.583 0.236 1.00 3.00 O ATOM 1352 CG2 THR A 90 24.664 -1.044 -1.262 1.00 2.70 C ATOM 0 H THR A 90 22.485 -4.787 -2.002 1.00 1.24 H new ATOM 0 HA THR A 90 22.308 -1.871 -2.134 1.00 1.43 H new ATOM 0 HB THR A 90 24.874 -3.192 -1.324 1.00 1.82 H new ATOM 0 HG1 THR A 90 24.395 -2.396 0.847 1.00 3.00 H new ATOM 0 HG21 THR A 90 25.469 -0.890 -0.543 1.00 2.70 H new ATOM 0 HG22 THR A 90 25.052 -0.921 -2.273 1.00 2.70 H new ATOM 0 HG23 THR A 90 23.874 -0.314 -1.085 1.00 2.70 H new ATOM 1360 N CYS A 91 22.638 -3.506 -4.435 1.00 1.35 N ATOM 1361 CA CYS A 91 23.060 -3.781 -5.811 1.00 1.45 C ATOM 1362 C CYS A 91 21.851 -4.085 -6.702 1.00 1.24 C ATOM 1363 O CYS A 91 20.937 -4.791 -6.273 1.00 1.14 O ATOM 1364 CB CYS A 91 24.032 -4.969 -5.850 1.00 1.98 C ATOM 1365 SG CYS A 91 24.636 -5.171 -7.540 1.00 2.65 S ATOM 0 H CYS A 91 21.658 -3.720 -4.249 1.00 1.35 H new ATOM 0 HA CYS A 91 23.564 -2.891 -6.188 1.00 1.45 H new ATOM 0 HB2 CYS A 91 24.866 -4.797 -5.169 1.00 1.98 H new ATOM 0 HB3 CYS A 91 23.531 -5.878 -5.517 1.00 1.98 H new ATOM 0 HG CYS A 91 25.463 -6.173 -7.588 1.00 2.65 H new ATOM 1371 N ALA A 92 21.842 -3.583 -7.941 1.00 1.45 N ATOM 1372 CA ALA A 92 20.808 -3.907 -8.920 1.00 1.79 C ATOM 1373 C ALA A 92 20.668 -5.423 -9.075 1.00 1.40 C ATOM 1374 O ALA A 92 19.560 -5.950 -9.071 1.00 1.61 O ATOM 1375 CB ALA A 92 21.130 -3.246 -10.262 1.00 2.47 C ATOM 0 H ALA A 92 22.553 -2.941 -8.290 1.00 1.45 H new ATOM 0 HA ALA A 92 19.854 -3.518 -8.565 1.00 1.79 H new ATOM 0 HB1 ALA A 92 20.353 -3.494 -10.985 1.00 2.47 H new ATOM 0 HB2 ALA A 92 21.175 -2.165 -10.133 1.00 2.47 H new ATOM 0 HB3 ALA A 92 22.092 -3.608 -10.625 1.00 2.47 H new ATOM 1381 N SER A 93 21.790 -6.137 -9.174 1.00 1.22 N ATOM 1382 CA SER A 93 21.820 -7.589 -9.247 1.00 1.34 C ATOM 1383 C SER A 93 21.032 -8.239 -8.105 1.00 1.26 C ATOM 1384 O SER A 93 20.344 -9.235 -8.320 1.00 1.39 O ATOM 1385 CB SER A 93 23.278 -8.051 -9.237 1.00 1.73 C ATOM 1386 OG SER A 93 24.027 -7.223 -10.109 1.00 2.35 O ATOM 0 H SER A 93 22.716 -5.711 -9.206 1.00 1.22 H new ATOM 0 HA SER A 93 21.337 -7.903 -10.172 1.00 1.34 H new ATOM 0 HB2 SER A 93 23.683 -7.999 -8.226 1.00 1.73 H new ATOM 0 HB3 SER A 93 23.346 -9.092 -9.554 1.00 1.73 H new ATOM 0 HG SER A 93 24.428 -6.489 -9.599 1.00 2.35 H new ATOM 1392 N CYS A 94 21.126 -7.682 -6.891 1.00 1.13 N ATOM 1393 CA CYS A 94 20.418 -8.222 -5.743 1.00 1.10 C ATOM 1394 C CYS A 94 18.915 -8.118 -5.988 1.00 0.97 C ATOM 1395 O CYS A 94 18.199 -9.118 -5.971 1.00 0.93 O ATOM 1396 CB CYS A 94 20.844 -7.518 -4.452 1.00 1.12 C ATOM 1397 SG CYS A 94 19.579 -7.853 -3.219 1.00 3.10 S ATOM 0 H CYS A 94 21.689 -6.856 -6.687 1.00 1.13 H new ATOM 0 HA CYS A 94 20.674 -9.274 -5.617 1.00 1.10 H new ATOM 0 HB2 CYS A 94 21.814 -7.884 -4.117 1.00 1.12 H new ATOM 0 HB3 CYS A 94 20.947 -6.445 -4.615 1.00 1.12 H new ATOM 0 HG CYS A 94 19.840 -8.979 -2.624 1.00 3.10 H new ATOM 1403 N VAL A 95 18.459 -6.898 -6.271 1.00 0.97 N ATOM 1404 CA VAL A 95 17.087 -6.630 -6.686 1.00 0.90 C ATOM 1405 C VAL A 95 16.650 -7.614 -7.772 1.00 0.95 C ATOM 1406 O VAL A 95 15.598 -8.238 -7.654 1.00 0.89 O ATOM 1407 CB VAL A 95 16.951 -5.167 -7.147 1.00 0.94 C ATOM 1408 CG1 VAL A 95 15.729 -4.959 -8.046 1.00 1.17 C ATOM 1409 CG2 VAL A 95 16.868 -4.268 -5.914 1.00 1.32 C ATOM 0 H VAL A 95 19.040 -6.061 -6.217 1.00 0.97 H new ATOM 0 HA VAL A 95 16.422 -6.774 -5.835 1.00 0.90 H new ATOM 0 HB VAL A 95 17.827 -4.908 -7.742 1.00 0.94 H new ATOM 0 HG11 VAL A 95 15.673 -3.913 -8.347 1.00 1.17 H new ATOM 0 HG12 VAL A 95 15.818 -5.587 -8.932 1.00 1.17 H new ATOM 0 HG13 VAL A 95 14.825 -5.228 -7.499 1.00 1.17 H new ATOM 0 HG21 VAL A 95 16.771 -3.229 -6.227 1.00 1.32 H new ATOM 0 HG22 VAL A 95 16.001 -4.549 -5.317 1.00 1.32 H new ATOM 0 HG23 VAL A 95 17.773 -4.384 -5.317 1.00 1.32 H new ATOM 1419 N HIS A 96 17.462 -7.764 -8.817 1.00 1.11 N ATOM 1420 CA HIS A 96 17.143 -8.629 -9.939 1.00 1.22 C ATOM 1421 C HIS A 96 16.934 -10.049 -9.436 1.00 1.16 C ATOM 1422 O HIS A 96 15.950 -10.692 -9.785 1.00 1.12 O ATOM 1423 CB HIS A 96 18.246 -8.574 -11.010 1.00 1.45 C ATOM 1424 CG HIS A 96 17.766 -8.017 -12.325 1.00 1.60 C ATOM 1425 ND1 HIS A 96 16.706 -8.491 -13.066 1.00 2.14 N ATOM 1426 CD2 HIS A 96 18.310 -6.960 -13.003 1.00 3.04 C ATOM 1427 CE1 HIS A 96 16.617 -7.730 -14.171 1.00 2.40 C ATOM 1428 NE2 HIS A 96 17.576 -6.789 -14.180 1.00 3.05 N ATOM 0 H HIS A 96 18.359 -7.287 -8.905 1.00 1.11 H new ATOM 0 HA HIS A 96 16.223 -8.281 -10.408 1.00 1.22 H new ATOM 0 HB2 HIS A 96 19.071 -7.963 -10.643 1.00 1.45 H new ATOM 0 HB3 HIS A 96 18.640 -9.578 -11.169 1.00 1.45 H new ATOM 0 HD2 HIS A 96 19.154 -6.365 -12.686 1.00 3.04 H new ATOM 0 HE1 HIS A 96 15.876 -7.858 -14.946 1.00 2.40 H new ATOM 0 HE2 HIS A 96 17.737 -6.088 -14.903 1.00 3.05 H new ATOM 1436 N ASN A 97 17.847 -10.538 -8.593 1.00 1.19 N ATOM 1437 CA ASN A 97 17.712 -11.873 -8.039 1.00 1.14 C ATOM 1438 C ASN A 97 16.418 -11.973 -7.246 1.00 0.96 C ATOM 1439 O ASN A 97 15.703 -12.959 -7.381 1.00 0.97 O ATOM 1440 CB ASN A 97 18.969 -12.361 -7.288 1.00 1.31 C ATOM 1441 CG ASN A 97 19.050 -12.110 -5.777 1.00 1.76 C ATOM 1442 OD1 ASN A 97 18.102 -12.608 -4.987 1.00 3.58 O flip ATOM 1443 ND2 ASN A 97 20.022 -11.549 -5.290 1.00 1.77 N flip ATOM 0 H ASN A 97 18.677 -10.030 -8.286 1.00 1.19 H new ATOM 0 HA ASN A 97 17.637 -12.581 -8.864 1.00 1.14 H new ATOM 0 HB2 ASN A 97 19.060 -13.435 -7.453 1.00 1.31 H new ATOM 0 HB3 ASN A 97 19.837 -11.892 -7.751 1.00 1.31 H new ATOM 0 HD21 ASN A 97 20.748 -11.168 -5.897 1.00 1.77 H new ATOM 0 HD22 ASN A 97 20.107 -11.463 -4.277 1.00 1.77 H new ATOM 1450 N ILE A 98 16.121 -10.986 -6.399 1.00 0.85 N ATOM 1451 CA ILE A 98 14.928 -10.992 -5.567 1.00 0.79 C ATOM 1452 C ILE A 98 13.690 -11.077 -6.454 1.00 0.77 C ATOM 1453 O ILE A 98 12.844 -11.945 -6.250 1.00 0.77 O ATOM 1454 CB ILE A 98 14.943 -9.772 -4.625 1.00 0.79 C ATOM 1455 CG1 ILE A 98 15.970 -10.040 -3.511 1.00 0.93 C ATOM 1456 CG2 ILE A 98 13.558 -9.467 -4.040 1.00 0.77 C ATOM 1457 CD1 ILE A 98 16.160 -8.839 -2.585 1.00 1.00 C ATOM 0 H ILE A 98 16.706 -10.160 -6.274 1.00 0.85 H new ATOM 0 HA ILE A 98 14.906 -11.871 -4.923 1.00 0.79 H new ATOM 0 HB ILE A 98 15.226 -8.887 -5.195 1.00 0.79 H new ATOM 0 HG12 ILE A 98 15.647 -10.899 -2.924 1.00 0.93 H new ATOM 0 HG13 ILE A 98 16.928 -10.303 -3.960 1.00 0.93 H new ATOM 0 HG21 ILE A 98 13.623 -8.599 -3.384 1.00 0.77 H new ATOM 0 HG22 ILE A 98 12.859 -9.258 -4.850 1.00 0.77 H new ATOM 0 HG23 ILE A 98 13.206 -10.327 -3.470 1.00 0.77 H new ATOM 0 HD11 ILE A 98 16.895 -9.084 -1.818 1.00 1.00 H new ATOM 0 HD12 ILE A 98 16.510 -7.985 -3.164 1.00 1.00 H new ATOM 0 HD13 ILE A 98 15.210 -8.591 -2.111 1.00 1.00 H new ATOM 1469 N GLU A 99 13.619 -10.217 -7.467 1.00 0.80 N ATOM 1470 CA GLU A 99 12.540 -10.185 -8.430 1.00 0.85 C ATOM 1471 C GLU A 99 12.426 -11.566 -9.079 1.00 0.91 C ATOM 1472 O GLU A 99 11.348 -12.147 -9.086 1.00 0.94 O ATOM 1473 CB GLU A 99 12.705 -9.049 -9.449 1.00 0.95 C ATOM 1474 CG GLU A 99 11.374 -8.316 -9.609 1.00 1.07 C ATOM 1475 CD GLU A 99 11.457 -7.223 -10.663 1.00 1.42 C ATOM 1476 OE1 GLU A 99 11.654 -7.596 -11.841 1.00 2.44 O ATOM 1477 OE2 GLU A 99 11.337 -6.045 -10.264 1.00 1.87 O ATOM 0 H GLU A 99 14.332 -9.508 -7.638 1.00 0.80 H new ATOM 0 HA GLU A 99 11.602 -9.963 -7.921 1.00 0.85 H new ATOM 0 HB2 GLU A 99 13.477 -8.356 -9.116 1.00 0.95 H new ATOM 0 HB3 GLU A 99 13.030 -9.451 -10.409 1.00 0.95 H new ATOM 0 HG2 GLU A 99 10.597 -9.029 -9.884 1.00 1.07 H new ATOM 0 HG3 GLU A 99 11.082 -7.879 -8.654 1.00 1.07 H new ATOM 1484 N SER A 100 13.535 -12.133 -9.567 1.00 0.95 N ATOM 1485 CA SER A 100 13.569 -13.459 -10.180 1.00 1.03 C ATOM 1486 C SER A 100 13.122 -14.563 -9.212 1.00 1.11 C ATOM 1487 O SER A 100 12.514 -15.550 -9.622 1.00 1.45 O ATOM 1488 CB SER A 100 14.973 -13.752 -10.716 1.00 1.09 C ATOM 1489 OG SER A 100 15.308 -12.807 -11.713 1.00 2.13 O ATOM 0 H SER A 100 14.446 -11.674 -9.545 1.00 0.95 H new ATOM 0 HA SER A 100 12.858 -13.455 -11.006 1.00 1.03 H new ATOM 0 HB2 SER A 100 15.699 -13.711 -9.904 1.00 1.09 H new ATOM 0 HB3 SER A 100 15.012 -14.760 -11.129 1.00 1.09 H new ATOM 0 HG SER A 100 15.571 -11.964 -11.289 1.00 2.13 H new ATOM 1495 N LYS A 101 13.464 -14.437 -7.928 1.00 0.91 N ATOM 1496 CA LYS A 101 13.027 -15.371 -6.905 1.00 0.92 C ATOM 1497 C LYS A 101 11.521 -15.264 -6.720 1.00 0.90 C ATOM 1498 O LYS A 101 10.816 -16.269 -6.709 1.00 0.97 O ATOM 1499 CB LYS A 101 13.738 -15.087 -5.572 1.00 0.86 C ATOM 1500 CG LYS A 101 14.872 -16.079 -5.302 1.00 1.13 C ATOM 1501 CD LYS A 101 16.044 -15.833 -6.256 1.00 1.31 C ATOM 1502 CE LYS A 101 17.164 -16.845 -5.975 1.00 1.94 C ATOM 1503 NZ LYS A 101 18.222 -16.814 -7.005 1.00 2.73 N ATOM 0 H LYS A 101 14.052 -13.682 -7.575 1.00 0.91 H new ATOM 0 HA LYS A 101 13.282 -16.381 -7.225 1.00 0.92 H new ATOM 0 HB2 LYS A 101 14.139 -14.073 -5.584 1.00 0.86 H new ATOM 0 HB3 LYS A 101 13.014 -15.134 -4.758 1.00 0.86 H new ATOM 0 HG2 LYS A 101 15.210 -15.981 -4.270 1.00 1.13 H new ATOM 0 HG3 LYS A 101 14.506 -17.099 -5.422 1.00 1.13 H new ATOM 0 HD2 LYS A 101 15.709 -15.925 -7.289 1.00 1.31 H new ATOM 0 HD3 LYS A 101 16.419 -14.817 -6.131 1.00 1.31 H new ATOM 0 HE2 LYS A 101 17.604 -16.635 -5.000 1.00 1.94 H new ATOM 0 HE3 LYS A 101 16.740 -17.848 -5.924 1.00 1.94 H new ATOM 0 HZ1 LYS A 101 18.955 -17.514 -6.771 1.00 2.73 H new ATOM 0 HZ2 LYS A 101 17.810 -17.041 -7.933 1.00 2.73 H new ATOM 0 HZ3 LYS A 101 18.647 -15.865 -7.037 1.00 2.73 H new ATOM 1517 N LEU A 102 11.011 -14.051 -6.541 1.00 0.86 N ATOM 1518 CA LEU A 102 9.614 -13.894 -6.202 1.00 0.94 C ATOM 1519 C LEU A 102 8.768 -14.247 -7.413 1.00 0.89 C ATOM 1520 O LEU A 102 7.834 -15.021 -7.268 1.00 0.85 O ATOM 1521 CB LEU A 102 9.341 -12.550 -5.528 1.00 1.09 C ATOM 1522 CG LEU A 102 9.666 -11.315 -6.355 1.00 1.56 C ATOM 1523 CD1 LEU A 102 8.513 -10.860 -7.240 1.00 2.64 C ATOM 1524 CD2 LEU A 102 10.053 -10.184 -5.406 1.00 2.43 C ATOM 0 H LEU A 102 11.537 -13.181 -6.624 1.00 0.86 H new ATOM 0 HA LEU A 102 9.312 -14.600 -5.428 1.00 0.94 H new ATOM 0 HB2 LEU A 102 8.287 -12.511 -5.251 1.00 1.09 H new ATOM 0 HB3 LEU A 102 9.916 -12.506 -4.603 1.00 1.09 H new ATOM 0 HG LEU A 102 10.486 -11.576 -7.023 1.00 1.56 H new ATOM 0 HD11 LEU A 102 8.813 -9.975 -7.802 1.00 2.64 H new ATOM 0 HD12 LEU A 102 8.250 -11.658 -7.934 1.00 2.64 H new ATOM 0 HD13 LEU A 102 7.650 -10.620 -6.619 1.00 2.64 H new ATOM 0 HD21 LEU A 102 10.289 -9.290 -5.983 1.00 2.43 H new ATOM 0 HD22 LEU A 102 9.222 -9.973 -4.734 1.00 2.43 H new ATOM 0 HD23 LEU A 102 10.925 -10.481 -4.823 1.00 2.43 H new ATOM 1536 N THR A 103 9.155 -13.814 -8.617 1.00 0.98 N ATOM 1537 CA THR A 103 8.525 -14.252 -9.865 1.00 1.09 C ATOM 1538 C THR A 103 8.526 -15.773 -10.045 1.00 1.11 C ATOM 1539 O THR A 103 7.783 -16.279 -10.883 1.00 1.23 O ATOM 1540 CB THR A 103 9.058 -13.520 -11.101 1.00 1.16 C ATOM 1541 OG1 THR A 103 10.455 -13.508 -11.147 1.00 2.34 O ATOM 1542 CG2 THR A 103 8.554 -12.077 -11.191 1.00 1.53 C ATOM 0 H THR A 103 9.916 -13.148 -8.753 1.00 0.98 H new ATOM 0 HA THR A 103 7.479 -13.961 -9.768 1.00 1.09 H new ATOM 0 HB THR A 103 8.674 -14.083 -11.952 1.00 1.16 H new ATOM 0 HG1 THR A 103 10.794 -12.767 -10.602 1.00 2.34 H new ATOM 0 HG21 THR A 103 8.962 -11.604 -12.085 1.00 1.53 H new ATOM 0 HG22 THR A 103 7.465 -12.074 -11.244 1.00 1.53 H new ATOM 0 HG23 THR A 103 8.876 -11.523 -10.309 1.00 1.53 H new ATOM 1550 N ARG A 104 9.338 -16.517 -9.287 1.00 1.06 N ATOM 1551 CA ARG A 104 9.246 -17.976 -9.307 1.00 1.09 C ATOM 1552 C ARG A 104 7.883 -18.460 -8.778 1.00 1.00 C ATOM 1553 O ARG A 104 7.429 -19.548 -9.128 1.00 1.08 O ATOM 1554 CB ARG A 104 10.396 -18.603 -8.502 1.00 1.15 C ATOM 1555 CG ARG A 104 10.985 -19.832 -9.204 1.00 1.57 C ATOM 1556 CD ARG A 104 12.218 -19.386 -9.999 1.00 1.63 C ATOM 1557 NE ARG A 104 12.672 -20.428 -10.934 1.00 2.37 N ATOM 1558 CZ ARG A 104 13.926 -20.573 -11.395 1.00 3.53 C ATOM 1559 NH1 ARG A 104 14.911 -19.793 -10.933 1.00 4.38 N ATOM 1560 NH2 ARG A 104 14.193 -21.498 -12.322 1.00 4.38 N ATOM 0 H ARG A 104 10.052 -16.140 -8.664 1.00 1.06 H new ATOM 0 HA ARG A 104 9.333 -18.301 -10.344 1.00 1.09 H new ATOM 0 HB2 ARG A 104 11.180 -17.861 -8.352 1.00 1.15 H new ATOM 0 HB3 ARG A 104 10.034 -18.888 -7.514 1.00 1.15 H new ATOM 0 HG2 ARG A 104 11.259 -20.592 -8.473 1.00 1.57 H new ATOM 0 HG3 ARG A 104 10.246 -20.280 -9.868 1.00 1.57 H new ATOM 0 HD2 ARG A 104 11.984 -18.477 -10.553 1.00 1.63 H new ATOM 0 HD3 ARG A 104 13.025 -19.140 -9.309 1.00 1.63 H new ATOM 0 HE ARG A 104 11.975 -21.098 -11.260 1.00 2.37 H new ATOM 0 HH11 ARG A 104 14.712 -19.084 -10.227 1.00 4.38 H new ATOM 0 HH12 ARG A 104 15.861 -19.908 -11.287 1.00 4.38 H new ATOM 0 HH21 ARG A 104 13.445 -22.093 -12.679 1.00 4.38 H new ATOM 0 HH22 ARG A 104 15.144 -21.609 -12.673 1.00 4.38 H new ATOM 1574 N THR A 105 7.257 -17.668 -7.903 1.00 0.89 N ATOM 1575 CA THR A 105 5.952 -17.917 -7.307 1.00 0.90 C ATOM 1576 C THR A 105 4.875 -18.004 -8.396 1.00 1.00 C ATOM 1577 O THR A 105 4.982 -17.358 -9.434 1.00 1.22 O ATOM 1578 CB THR A 105 5.656 -16.766 -6.331 1.00 0.98 C ATOM 1579 OG1 THR A 105 6.728 -16.601 -5.427 1.00 1.43 O ATOM 1580 CG2 THR A 105 4.413 -16.956 -5.475 1.00 1.49 C ATOM 0 H THR A 105 7.671 -16.794 -7.579 1.00 0.89 H new ATOM 0 HA THR A 105 5.950 -18.867 -6.773 1.00 0.90 H new ATOM 0 HB THR A 105 5.503 -15.903 -6.979 1.00 0.98 H new ATOM 0 HG1 THR A 105 7.379 -15.972 -5.803 1.00 1.43 H new ATOM 0 HG21 THR A 105 4.287 -16.094 -4.820 1.00 1.49 H new ATOM 0 HG22 THR A 105 3.539 -17.053 -6.119 1.00 1.49 H new ATOM 0 HG23 THR A 105 4.521 -17.858 -4.872 1.00 1.49 H new ATOM 1588 N ASN A 106 3.815 -18.779 -8.147 1.00 0.98 N ATOM 1589 CA ASN A 106 2.710 -18.955 -9.085 1.00 1.12 C ATOM 1590 C ASN A 106 1.809 -17.717 -9.154 1.00 1.21 C ATOM 1591 O ASN A 106 1.564 -17.197 -10.237 1.00 1.36 O ATOM 1592 CB ASN A 106 1.919 -20.234 -8.768 1.00 1.27 C ATOM 1593 CG ASN A 106 1.350 -20.292 -7.352 1.00 1.45 C ATOM 1594 OD1 ASN A 106 1.724 -19.508 -6.481 1.00 2.26 O ATOM 1595 ND2 ASN A 106 0.449 -21.234 -7.100 1.00 1.69 N ATOM 0 H ASN A 106 3.702 -19.305 -7.280 1.00 0.98 H new ATOM 0 HA ASN A 106 3.138 -19.074 -10.080 1.00 1.12 H new ATOM 0 HB2 ASN A 106 1.098 -20.324 -9.480 1.00 1.27 H new ATOM 0 HB3 ASN A 106 2.569 -21.095 -8.920 1.00 1.27 H new ATOM 0 HD21 ASN A 106 0.049 -21.320 -6.166 1.00 1.69 H new ATOM 0 HD22 ASN A 106 0.156 -21.871 -7.841 1.00 1.69 H new ATOM 1602 N GLY A 107 1.290 -17.257 -8.013 1.00 1.25 N ATOM 1603 CA GLY A 107 0.298 -16.184 -7.978 1.00 1.46 C ATOM 1604 C GLY A 107 0.885 -14.826 -8.360 1.00 1.46 C ATOM 1605 O GLY A 107 0.200 -13.963 -8.911 1.00 1.68 O ATOM 0 H GLY A 107 1.545 -17.617 -7.093 1.00 1.25 H new ATOM 0 HA2 GLY A 107 -0.518 -16.427 -8.658 1.00 1.46 H new ATOM 0 HA3 GLY A 107 -0.129 -16.122 -6.977 1.00 1.46 H new ATOM 1609 N ILE A 108 2.159 -14.604 -8.020 1.00 1.28 N ATOM 1610 CA ILE A 108 2.774 -13.306 -8.230 1.00 1.26 C ATOM 1611 C ILE A 108 2.674 -12.920 -9.707 1.00 1.33 C ATOM 1612 O ILE A 108 3.154 -13.641 -10.579 1.00 1.42 O ATOM 1613 CB ILE A 108 4.194 -13.251 -7.657 1.00 1.19 C ATOM 1614 CG1 ILE A 108 4.586 -11.861 -7.128 1.00 1.53 C ATOM 1615 CG2 ILE A 108 5.245 -13.748 -8.642 1.00 1.26 C ATOM 1616 CD1 ILE A 108 4.585 -10.729 -8.159 1.00 2.51 C ATOM 0 H ILE A 108 2.772 -15.304 -7.603 1.00 1.28 H new ATOM 0 HA ILE A 108 2.226 -12.548 -7.671 1.00 1.26 H new ATOM 0 HB ILE A 108 4.172 -13.932 -6.806 1.00 1.19 H new ATOM 0 HG12 ILE A 108 3.902 -11.594 -6.323 1.00 1.53 H new ATOM 0 HG13 ILE A 108 5.582 -11.928 -6.691 1.00 1.53 H new ATOM 0 HG21 ILE A 108 6.232 -13.687 -8.183 1.00 1.26 H new ATOM 0 HG22 ILE A 108 5.033 -14.783 -8.909 1.00 1.26 H new ATOM 0 HG23 ILE A 108 5.223 -13.130 -9.540 1.00 1.26 H new ATOM 0 HD11 ILE A 108 4.876 -9.796 -7.676 1.00 2.51 H new ATOM 0 HD12 ILE A 108 5.292 -10.961 -8.955 1.00 2.51 H new ATOM 0 HD13 ILE A 108 3.586 -10.622 -8.581 1.00 2.51 H new ATOM 1628 N THR A 109 2.009 -11.802 -9.982 1.00 1.33 N ATOM 1629 CA THR A 109 1.739 -11.364 -11.337 1.00 1.39 C ATOM 1630 C THR A 109 2.678 -10.241 -11.744 1.00 1.40 C ATOM 1631 O THR A 109 3.277 -10.302 -12.815 1.00 1.45 O ATOM 1632 CB THR A 109 0.249 -11.017 -11.440 1.00 1.49 C ATOM 1633 OG1 THR A 109 -0.520 -12.162 -11.113 1.00 2.04 O ATOM 1634 CG2 THR A 109 -0.138 -10.568 -12.852 1.00 2.29 C ATOM 0 H THR A 109 1.643 -11.176 -9.265 1.00 1.33 H new ATOM 0 HA THR A 109 1.940 -12.159 -12.056 1.00 1.39 H new ATOM 0 HB THR A 109 0.054 -10.197 -10.749 1.00 1.49 H new ATOM 0 HG1 THR A 109 -0.157 -12.580 -10.305 1.00 2.04 H new ATOM 0 HG21 THR A 109 -1.202 -10.332 -12.880 1.00 2.29 H new ATOM 0 HG22 THR A 109 0.437 -9.683 -13.123 1.00 2.29 H new ATOM 0 HG23 THR A 109 0.075 -11.369 -13.560 1.00 2.29 H new ATOM 1642 N TYR A 110 2.818 -9.211 -10.909 1.00 1.43 N ATOM 1643 CA TYR A 110 3.748 -8.132 -11.187 1.00 1.55 C ATOM 1644 C TYR A 110 4.402 -7.682 -9.893 1.00 1.49 C ATOM 1645 O TYR A 110 3.692 -7.211 -9.009 1.00 1.64 O ATOM 1646 CB TYR A 110 3.024 -7.008 -11.949 1.00 1.92 C ATOM 1647 CG TYR A 110 2.028 -6.122 -11.208 1.00 1.61 C ATOM 1648 CD1 TYR A 110 0.672 -6.498 -11.086 1.00 2.29 C ATOM 1649 CD2 TYR A 110 2.422 -4.829 -10.813 1.00 2.08 C ATOM 1650 CE1 TYR A 110 -0.273 -5.595 -10.553 1.00 2.51 C ATOM 1651 CE2 TYR A 110 1.487 -3.941 -10.252 1.00 2.04 C ATOM 1652 CZ TYR A 110 0.143 -4.321 -10.123 1.00 1.84 C ATOM 1653 OH TYR A 110 -0.675 -3.570 -9.332 1.00 2.13 O ATOM 0 H TYR A 110 2.297 -9.107 -10.038 1.00 1.43 H new ATOM 0 HA TYR A 110 4.555 -8.468 -11.838 1.00 1.55 H new ATOM 0 HB2 TYR A 110 3.788 -6.357 -12.374 1.00 1.92 H new ATOM 0 HB3 TYR A 110 2.495 -7.467 -12.784 1.00 1.92 H new ATOM 0 HD1 TYR A 110 0.357 -7.481 -11.402 1.00 2.29 H new ATOM 0 HD2 TYR A 110 3.448 -4.518 -10.942 1.00 2.08 H new ATOM 0 HE1 TYR A 110 -1.312 -5.881 -10.475 1.00 2.51 H new ATOM 0 HE2 TYR A 110 1.805 -2.964 -9.920 1.00 2.04 H new ATOM 0 HH TYR A 110 -0.237 -2.718 -9.124 1.00 2.13 H new ATOM 1663 N ALA A 111 5.728 -7.813 -9.753 1.00 1.33 N ATOM 1664 CA ALA A 111 6.408 -7.031 -8.728 1.00 1.31 C ATOM 1665 C ALA A 111 7.030 -5.779 -9.330 1.00 1.36 C ATOM 1666 O ALA A 111 7.344 -5.746 -10.517 1.00 1.44 O ATOM 1667 CB ALA A 111 7.485 -7.857 -8.048 1.00 1.20 C ATOM 0 H ALA A 111 6.323 -8.425 -10.311 1.00 1.33 H new ATOM 0 HA ALA A 111 5.665 -6.737 -7.986 1.00 1.31 H new ATOM 0 HB1 ALA A 111 7.980 -7.254 -7.287 1.00 1.20 H new ATOM 0 HB2 ALA A 111 7.032 -8.731 -7.581 1.00 1.20 H new ATOM 0 HB3 ALA A 111 8.218 -8.180 -8.788 1.00 1.20 H new ATOM 1673 N SER A 112 7.219 -4.758 -8.494 1.00 1.37 N ATOM 1674 CA SER A 112 8.148 -3.669 -8.779 1.00 1.37 C ATOM 1675 C SER A 112 8.875 -3.267 -7.490 1.00 1.25 C ATOM 1676 O SER A 112 8.228 -2.790 -6.559 1.00 1.43 O ATOM 1677 CB SER A 112 7.378 -2.495 -9.394 1.00 1.67 C ATOM 1678 OG SER A 112 8.264 -1.506 -9.875 1.00 2.60 O ATOM 0 H SER A 112 6.733 -4.664 -7.602 1.00 1.37 H new ATOM 0 HA SER A 112 8.902 -3.989 -9.499 1.00 1.37 H new ATOM 0 HB2 SER A 112 6.751 -2.854 -10.210 1.00 1.67 H new ATOM 0 HB3 SER A 112 6.713 -2.061 -8.648 1.00 1.67 H new ATOM 0 HG SER A 112 7.750 -0.768 -10.264 1.00 2.60 H new ATOM 1684 N VAL A 113 10.196 -3.470 -7.406 1.00 1.03 N ATOM 1685 CA VAL A 113 10.997 -3.061 -6.250 1.00 1.00 C ATOM 1686 C VAL A 113 11.930 -1.885 -6.561 1.00 1.06 C ATOM 1687 O VAL A 113 12.490 -1.818 -7.653 1.00 1.13 O ATOM 1688 CB VAL A 113 11.708 -4.295 -5.656 1.00 0.80 C ATOM 1689 CG1 VAL A 113 12.442 -5.096 -6.731 1.00 1.82 C ATOM 1690 CG2 VAL A 113 12.683 -3.935 -4.527 1.00 2.00 C ATOM 0 H VAL A 113 10.739 -3.924 -8.141 1.00 1.03 H new ATOM 0 HA VAL A 113 10.334 -2.666 -5.480 1.00 1.00 H new ATOM 0 HB VAL A 113 10.917 -4.912 -5.230 1.00 0.80 H new ATOM 0 HG11 VAL A 113 12.930 -5.957 -6.274 1.00 1.82 H new ATOM 0 HG12 VAL A 113 11.728 -5.439 -7.480 1.00 1.82 H new ATOM 0 HG13 VAL A 113 13.192 -4.464 -7.207 1.00 1.82 H new ATOM 0 HG21 VAL A 113 13.153 -4.843 -4.149 1.00 2.00 H new ATOM 0 HG22 VAL A 113 13.450 -3.262 -4.910 1.00 2.00 H new ATOM 0 HG23 VAL A 113 12.140 -3.444 -3.720 1.00 2.00 H new ATOM 1700 N ALA A 114 12.074 -0.943 -5.612 1.00 1.11 N ATOM 1701 CA ALA A 114 12.772 0.320 -5.832 1.00 1.23 C ATOM 1702 C ALA A 114 13.752 0.636 -4.696 1.00 1.20 C ATOM 1703 O ALA A 114 13.374 1.085 -3.617 1.00 1.32 O ATOM 1704 CB ALA A 114 11.744 1.436 -6.026 1.00 1.47 C ATOM 0 H ALA A 114 11.704 -1.045 -4.667 1.00 1.11 H new ATOM 0 HA ALA A 114 13.376 0.237 -6.736 1.00 1.23 H new ATOM 0 HB1 ALA A 114 12.260 2.382 -6.191 1.00 1.47 H new ATOM 0 HB2 ALA A 114 11.119 1.209 -6.889 1.00 1.47 H new ATOM 0 HB3 ALA A 114 11.119 1.514 -5.136 1.00 1.47 H new ATOM 1710 N LEU A 115 15.042 0.451 -4.968 1.00 1.14 N ATOM 1711 CA LEU A 115 16.140 0.632 -4.031 1.00 1.15 C ATOM 1712 C LEU A 115 16.340 2.080 -3.576 1.00 1.24 C ATOM 1713 O LEU A 115 16.925 2.312 -2.524 1.00 1.31 O ATOM 1714 CB LEU A 115 17.426 -0.007 -4.577 1.00 1.17 C ATOM 1715 CG LEU A 115 17.947 0.367 -5.978 1.00 1.36 C ATOM 1716 CD1 LEU A 115 17.100 -0.148 -7.151 1.00 2.97 C ATOM 1717 CD2 LEU A 115 18.263 1.853 -6.165 1.00 2.69 C ATOM 0 H LEU A 115 15.361 0.157 -5.891 1.00 1.14 H new ATOM 0 HA LEU A 115 15.863 0.105 -3.118 1.00 1.15 H new ATOM 0 HB2 LEU A 115 18.223 0.215 -3.867 1.00 1.17 H new ATOM 0 HB3 LEU A 115 17.280 -1.087 -4.565 1.00 1.17 H new ATOM 0 HG LEU A 115 18.892 -0.176 -6.010 1.00 1.36 H new ATOM 0 HD11 LEU A 115 17.551 0.168 -8.092 1.00 2.97 H new ATOM 0 HD12 LEU A 115 17.056 -1.237 -7.118 1.00 2.97 H new ATOM 0 HD13 LEU A 115 16.091 0.258 -7.077 1.00 2.97 H new ATOM 0 HD21 LEU A 115 18.623 2.024 -7.180 1.00 2.69 H new ATOM 0 HD22 LEU A 115 17.361 2.441 -5.997 1.00 2.69 H new ATOM 0 HD23 LEU A 115 19.031 2.154 -5.452 1.00 2.69 H new ATOM 1729 N ALA A 116 15.825 3.055 -4.330 1.00 1.27 N ATOM 1730 CA ALA A 116 15.828 4.453 -3.912 1.00 1.34 C ATOM 1731 C ALA A 116 15.052 4.630 -2.602 1.00 1.31 C ATOM 1732 O ALA A 116 15.353 5.520 -1.813 1.00 1.46 O ATOM 1733 CB ALA A 116 15.211 5.312 -5.020 1.00 1.42 C ATOM 0 H ALA A 116 15.397 2.895 -5.242 1.00 1.27 H new ATOM 0 HA ALA A 116 16.856 4.771 -3.737 1.00 1.34 H new ATOM 0 HB1 ALA A 116 15.211 6.358 -4.712 1.00 1.42 H new ATOM 0 HB2 ALA A 116 15.796 5.203 -5.933 1.00 1.42 H new ATOM 0 HB3 ALA A 116 14.187 4.988 -5.204 1.00 1.42 H new ATOM 1739 N THR A 117 14.028 3.795 -2.412 1.00 1.20 N ATOM 1740 CA THR A 117 13.076 3.858 -1.313 1.00 1.27 C ATOM 1741 C THR A 117 13.152 2.589 -0.436 1.00 1.21 C ATOM 1742 O THR A 117 12.681 2.585 0.701 1.00 1.33 O ATOM 1743 CB THR A 117 11.685 4.187 -1.909 1.00 1.45 C ATOM 1744 OG1 THR A 117 10.638 3.674 -1.133 1.00 1.84 O ATOM 1745 CG2 THR A 117 11.430 3.626 -3.312 1.00 1.51 C ATOM 0 H THR A 117 13.836 3.024 -3.051 1.00 1.20 H new ATOM 0 HA THR A 117 13.315 4.658 -0.612 1.00 1.27 H new ATOM 0 HB THR A 117 11.703 5.277 -1.936 1.00 1.45 H new ATOM 0 HG1 THR A 117 9.780 3.907 -1.546 1.00 1.84 H new ATOM 0 HG21 THR A 117 10.430 3.910 -3.641 1.00 1.51 H new ATOM 0 HG22 THR A 117 12.169 4.029 -4.005 1.00 1.51 H new ATOM 0 HG23 THR A 117 11.509 2.539 -3.289 1.00 1.51 H new ATOM 1753 N SER A 118 13.741 1.505 -0.957 1.00 1.09 N ATOM 1754 CA SER A 118 13.927 0.212 -0.302 1.00 1.07 C ATOM 1755 C SER A 118 12.620 -0.569 -0.172 1.00 1.15 C ATOM 1756 O SER A 118 12.552 -1.516 0.609 1.00 1.29 O ATOM 1757 CB SER A 118 14.667 0.345 1.037 1.00 1.15 C ATOM 1758 OG SER A 118 15.858 1.087 0.850 1.00 1.45 O ATOM 0 H SER A 118 14.122 1.512 -1.903 1.00 1.09 H new ATOM 0 HA SER A 118 14.570 -0.379 -0.955 1.00 1.07 H new ATOM 0 HB2 SER A 118 14.029 0.841 1.769 1.00 1.15 H new ATOM 0 HB3 SER A 118 14.901 -0.643 1.435 1.00 1.15 H new ATOM 0 HG SER A 118 16.328 1.172 1.706 1.00 1.45 H new ATOM 1764 N LYS A 119 11.596 -0.196 -0.946 1.00 1.16 N ATOM 1765 CA LYS A 119 10.293 -0.832 -0.960 1.00 1.32 C ATOM 1766 C LYS A 119 10.170 -1.764 -2.161 1.00 1.17 C ATOM 1767 O LYS A 119 10.542 -1.386 -3.272 1.00 1.25 O ATOM 1768 CB LYS A 119 9.246 0.275 -1.060 1.00 1.75 C ATOM 1769 CG LYS A 119 9.394 1.267 0.095 1.00 1.46 C ATOM 1770 CD LYS A 119 9.083 0.604 1.434 1.00 2.28 C ATOM 1771 CE LYS A 119 8.319 1.557 2.364 1.00 2.23 C ATOM 1772 NZ LYS A 119 9.073 2.796 2.636 1.00 2.98 N ATOM 0 H LYS A 119 11.663 0.585 -1.599 1.00 1.16 H new ATOM 0 HA LYS A 119 10.151 -1.424 -0.056 1.00 1.32 H new ATOM 0 HB2 LYS A 119 9.352 0.798 -2.011 1.00 1.75 H new ATOM 0 HB3 LYS A 119 8.247 -0.161 -1.046 1.00 1.75 H new ATOM 0 HG2 LYS A 119 10.409 1.664 0.110 1.00 1.46 H new ATOM 0 HG3 LYS A 119 8.724 2.112 -0.060 1.00 1.46 H new ATOM 0 HD2 LYS A 119 8.492 -0.297 1.268 1.00 2.28 H new ATOM 0 HD3 LYS A 119 10.012 0.292 1.912 1.00 2.28 H new ATOM 0 HE2 LYS A 119 7.359 1.810 1.913 1.00 2.23 H new ATOM 0 HE3 LYS A 119 8.106 1.050 3.305 1.00 2.23 H new ATOM 0 HZ1 LYS A 119 8.575 3.354 3.358 1.00 2.98 H new ATOM 0 HZ2 LYS A 119 10.024 2.555 2.980 1.00 2.98 H new ATOM 0 HZ3 LYS A 119 9.152 3.353 1.762 1.00 2.98 H new ATOM 1786 N ALA A 120 9.631 -2.962 -1.938 1.00 1.07 N ATOM 1787 CA ALA A 120 9.336 -3.966 -2.943 1.00 1.06 C ATOM 1788 C ALA A 120 7.831 -4.157 -3.028 1.00 1.28 C ATOM 1789 O ALA A 120 7.282 -4.735 -2.103 1.00 1.40 O ATOM 1790 CB ALA A 120 10.033 -5.284 -2.580 1.00 0.90 C ATOM 0 H ALA A 120 9.377 -3.268 -0.999 1.00 1.07 H new ATOM 0 HA ALA A 120 9.707 -3.640 -3.915 1.00 1.06 H new ATOM 0 HB1 ALA A 120 9.809 -6.035 -3.338 1.00 0.90 H new ATOM 0 HB2 ALA A 120 11.110 -5.125 -2.534 1.00 0.90 H new ATOM 0 HB3 ALA A 120 9.676 -5.629 -1.610 1.00 0.90 H new ATOM 1796 N LEU A 121 7.173 -3.750 -4.120 1.00 1.37 N ATOM 1797 CA LEU A 121 5.726 -3.879 -4.294 1.00 1.52 C ATOM 1798 C LEU A 121 5.505 -5.230 -4.971 1.00 1.42 C ATOM 1799 O LEU A 121 6.100 -5.473 -6.016 1.00 1.39 O ATOM 1800 CB LEU A 121 5.195 -2.759 -5.220 1.00 1.80 C ATOM 1801 CG LEU A 121 4.833 -1.413 -4.571 1.00 1.71 C ATOM 1802 CD1 LEU A 121 3.506 -1.515 -3.828 1.00 2.67 C ATOM 1803 CD2 LEU A 121 5.945 -0.868 -3.672 1.00 1.54 C ATOM 0 H LEU A 121 7.639 -3.316 -4.917 1.00 1.37 H new ATOM 0 HA LEU A 121 5.207 -3.804 -3.338 1.00 1.52 H new ATOM 0 HB2 LEU A 121 5.947 -2.571 -5.986 1.00 1.80 H new ATOM 0 HB3 LEU A 121 4.308 -3.136 -5.729 1.00 1.80 H new ATOM 0 HG LEU A 121 4.720 -0.689 -5.378 1.00 1.71 H new ATOM 0 HD11 LEU A 121 3.267 -0.552 -3.376 1.00 2.67 H new ATOM 0 HD12 LEU A 121 2.718 -1.793 -4.528 1.00 2.67 H new ATOM 0 HD13 LEU A 121 3.583 -2.273 -3.049 1.00 2.67 H new ATOM 0 HD21 LEU A 121 5.632 0.083 -3.242 1.00 1.54 H new ATOM 0 HD22 LEU A 121 6.147 -1.579 -2.871 1.00 1.54 H new ATOM 0 HD23 LEU A 121 6.850 -0.720 -4.262 1.00 1.54 H new ATOM 1815 N VAL A 122 4.676 -6.103 -4.384 1.00 1.43 N ATOM 1816 CA VAL A 122 4.486 -7.489 -4.825 1.00 1.33 C ATOM 1817 C VAL A 122 2.986 -7.787 -4.942 1.00 1.44 C ATOM 1818 O VAL A 122 2.227 -7.417 -4.049 1.00 1.57 O ATOM 1819 CB VAL A 122 5.168 -8.446 -3.827 1.00 1.22 C ATOM 1820 CG1 VAL A 122 5.038 -9.908 -4.271 1.00 1.94 C ATOM 1821 CG2 VAL A 122 6.662 -8.128 -3.689 1.00 2.31 C ATOM 0 H VAL A 122 4.108 -5.860 -3.573 1.00 1.43 H new ATOM 0 HA VAL A 122 4.942 -7.635 -5.804 1.00 1.33 H new ATOM 0 HB VAL A 122 4.664 -8.305 -2.871 1.00 1.22 H new ATOM 0 HG11 VAL A 122 5.530 -10.554 -3.544 1.00 1.94 H new ATOM 0 HG12 VAL A 122 3.983 -10.175 -4.339 1.00 1.94 H new ATOM 0 HG13 VAL A 122 5.508 -10.035 -5.246 1.00 1.94 H new ATOM 0 HG21 VAL A 122 7.117 -8.819 -2.979 1.00 2.31 H new ATOM 0 HG22 VAL A 122 7.147 -8.233 -4.659 1.00 2.31 H new ATOM 0 HG23 VAL A 122 6.785 -7.106 -3.331 1.00 2.31 H new ATOM 1831 N LYS A 123 2.548 -8.387 -6.062 1.00 1.45 N ATOM 1832 CA LYS A 123 1.138 -8.617 -6.352 1.00 1.61 C ATOM 1833 C LYS A 123 0.884 -10.106 -6.502 1.00 1.58 C ATOM 1834 O LYS A 123 0.968 -10.620 -7.618 1.00 1.58 O ATOM 1835 CB LYS A 123 0.711 -7.851 -7.609 1.00 1.74 C ATOM 1836 CG LYS A 123 0.566 -6.364 -7.292 1.00 1.49 C ATOM 1837 CD LYS A 123 1.887 -5.609 -7.144 1.00 2.65 C ATOM 1838 CE LYS A 123 1.805 -4.679 -5.946 1.00 3.14 C ATOM 1839 NZ LYS A 123 1.248 -3.372 -6.352 1.00 3.40 N ATOM 0 H LYS A 123 3.175 -8.726 -6.792 1.00 1.45 H new ATOM 0 HA LYS A 123 0.537 -8.244 -5.522 1.00 1.61 H new ATOM 0 HB2 LYS A 123 1.449 -7.992 -8.399 1.00 1.74 H new ATOM 0 HB3 LYS A 123 -0.234 -8.246 -7.981 1.00 1.74 H new ATOM 0 HG2 LYS A 123 -0.019 -5.894 -8.083 1.00 1.49 H new ATOM 0 HG3 LYS A 123 -0.003 -6.257 -6.368 1.00 1.49 H new ATOM 0 HD2 LYS A 123 2.709 -6.313 -7.016 1.00 2.65 H new ATOM 0 HD3 LYS A 123 2.095 -5.037 -8.048 1.00 2.65 H new ATOM 0 HE2 LYS A 123 1.179 -5.125 -5.173 1.00 3.14 H new ATOM 0 HE3 LYS A 123 2.796 -4.542 -5.514 1.00 3.14 H new ATOM 0 HZ1 LYS A 123 1.458 -2.663 -5.621 1.00 3.40 H new ATOM 0 HZ2 LYS A 123 1.676 -3.077 -7.253 1.00 3.40 H new ATOM 0 HZ3 LYS A 123 0.218 -3.455 -6.469 1.00 3.40 H new ATOM 1853 N PHE A 124 0.595 -10.772 -5.381 1.00 1.57 N ATOM 1854 CA PHE A 124 0.277 -12.205 -5.338 1.00 1.55 C ATOM 1855 C PHE A 124 -1.205 -12.449 -5.038 1.00 1.70 C ATOM 1856 O PHE A 124 -1.957 -11.493 -4.874 1.00 1.90 O ATOM 1857 CB PHE A 124 1.198 -12.923 -4.340 1.00 1.44 C ATOM 1858 CG PHE A 124 0.965 -12.564 -2.886 1.00 1.46 C ATOM 1859 CD1 PHE A 124 1.559 -11.410 -2.348 1.00 2.15 C ATOM 1860 CD2 PHE A 124 0.169 -13.385 -2.064 1.00 1.98 C ATOM 1861 CE1 PHE A 124 1.353 -11.078 -1.001 1.00 2.19 C ATOM 1862 CE2 PHE A 124 -0.021 -13.059 -0.710 1.00 2.13 C ATOM 1863 CZ PHE A 124 0.560 -11.896 -0.180 1.00 1.74 C ATOM 0 H PHE A 124 0.575 -10.326 -4.464 1.00 1.57 H new ATOM 0 HA PHE A 124 0.460 -12.628 -6.326 1.00 1.55 H new ATOM 0 HB2 PHE A 124 1.070 -13.999 -4.459 1.00 1.44 H new ATOM 0 HB3 PHE A 124 2.233 -12.695 -4.594 1.00 1.44 H new ATOM 0 HD1 PHE A 124 2.174 -10.779 -2.972 1.00 2.15 H new ATOM 0 HD2 PHE A 124 -0.297 -14.268 -2.475 1.00 1.98 H new ATOM 0 HE1 PHE A 124 1.807 -10.187 -0.592 1.00 2.19 H new ATOM 0 HE2 PHE A 124 -0.614 -13.703 -0.077 1.00 2.13 H new ATOM 0 HZ PHE A 124 0.398 -11.632 0.855 1.00 1.74 H new ATOM 1873 N ASP A 125 -1.618 -13.723 -4.962 1.00 1.66 N ATOM 1874 CA ASP A 125 -2.989 -14.125 -4.675 1.00 1.83 C ATOM 1875 C ASP A 125 -3.038 -14.688 -3.249 1.00 1.82 C ATOM 1876 O ASP A 125 -2.422 -15.730 -2.993 1.00 1.68 O ATOM 1877 CB ASP A 125 -3.406 -15.205 -5.674 1.00 1.83 C ATOM 1878 CG ASP A 125 -3.506 -14.680 -7.095 1.00 2.84 C ATOM 1879 OD1 ASP A 125 -4.418 -13.862 -7.340 1.00 3.07 O ATOM 1880 OD2 ASP A 125 -2.656 -15.109 -7.904 1.00 4.13 O ATOM 0 H ASP A 125 -0.989 -14.514 -5.102 1.00 1.66 H new ATOM 0 HA ASP A 125 -3.667 -13.275 -4.760 1.00 1.83 H new ATOM 0 HB2 ASP A 125 -2.685 -16.022 -5.642 1.00 1.83 H new ATOM 0 HB3 ASP A 125 -4.369 -15.619 -5.375 1.00 1.83 H new ATOM 1885 N PRO A 126 -3.713 -14.019 -2.299 1.00 1.99 N ATOM 1886 CA PRO A 126 -3.661 -14.371 -0.889 1.00 2.03 C ATOM 1887 C PRO A 126 -4.581 -15.555 -0.582 1.00 2.16 C ATOM 1888 O PRO A 126 -5.567 -15.439 0.143 1.00 2.40 O ATOM 1889 CB PRO A 126 -4.062 -13.094 -0.153 1.00 2.20 C ATOM 1890 CG PRO A 126 -5.058 -12.448 -1.116 1.00 2.33 C ATOM 1891 CD PRO A 126 -4.486 -12.802 -2.489 1.00 2.18 C ATOM 0 HA PRO A 126 -2.673 -14.706 -0.573 1.00 2.03 H new ATOM 0 HB2 PRO A 126 -4.516 -13.310 0.814 1.00 2.20 H new ATOM 0 HB3 PRO A 126 -3.204 -12.449 0.035 1.00 2.20 H new ATOM 0 HG2 PRO A 126 -6.064 -12.846 -0.983 1.00 2.33 H new ATOM 0 HG3 PRO A 126 -5.119 -11.370 -0.970 1.00 2.33 H new ATOM 0 HD2 PRO A 126 -5.283 -12.956 -3.216 1.00 2.18 H new ATOM 0 HD3 PRO A 126 -3.858 -11.996 -2.870 1.00 2.18 H new ATOM 1899 N GLU A 127 -4.209 -16.712 -1.120 1.00 2.02 N ATOM 1900 CA GLU A 127 -4.880 -17.982 -0.911 1.00 2.13 C ATOM 1901 C GLU A 127 -3.938 -19.122 -1.290 1.00 1.99 C ATOM 1902 O GLU A 127 -3.789 -20.083 -0.538 1.00 2.05 O ATOM 1903 CB GLU A 127 -6.206 -18.057 -1.688 1.00 2.28 C ATOM 1904 CG GLU A 127 -6.152 -17.583 -3.150 1.00 2.89 C ATOM 1905 CD GLU A 127 -7.294 -18.194 -3.952 1.00 3.15 C ATOM 1906 OE1 GLU A 127 -7.206 -19.417 -4.196 1.00 3.50 O ATOM 1907 OE2 GLU A 127 -8.231 -17.442 -4.289 1.00 3.78 O ATOM 0 H GLU A 127 -3.400 -16.789 -1.737 1.00 2.02 H new ATOM 0 HA GLU A 127 -5.136 -18.075 0.144 1.00 2.13 H new ATOM 0 HB2 GLU A 127 -6.556 -19.089 -1.673 1.00 2.28 H new ATOM 0 HB3 GLU A 127 -6.949 -17.460 -1.159 1.00 2.28 H new ATOM 0 HG2 GLU A 127 -6.214 -16.495 -3.188 1.00 2.89 H new ATOM 0 HG3 GLU A 127 -5.197 -17.864 -3.594 1.00 2.89 H new ATOM 1914 N ILE A 128 -3.286 -19.007 -2.451 1.00 1.84 N ATOM 1915 CA ILE A 128 -2.457 -20.059 -2.997 1.00 1.74 C ATOM 1916 C ILE A 128 -1.057 -20.003 -2.405 1.00 1.63 C ATOM 1917 O ILE A 128 -0.392 -21.027 -2.267 1.00 1.64 O ATOM 1918 CB ILE A 128 -2.433 -19.990 -4.534 1.00 1.69 C ATOM 1919 CG1 ILE A 128 -2.323 -18.571 -5.110 1.00 1.67 C ATOM 1920 CG2 ILE A 128 -3.666 -20.714 -5.092 1.00 1.84 C ATOM 1921 CD1 ILE A 128 -2.199 -18.598 -6.627 1.00 1.91 C ATOM 0 H ILE A 128 -3.326 -18.171 -3.034 1.00 1.84 H new ATOM 0 HA ILE A 128 -2.889 -21.021 -2.721 1.00 1.74 H new ATOM 0 HB ILE A 128 -1.518 -20.489 -4.853 1.00 1.69 H new ATOM 0 HG12 ILE A 128 -3.201 -17.991 -4.825 1.00 1.67 H new ATOM 0 HG13 ILE A 128 -1.456 -18.068 -4.681 1.00 1.67 H new ATOM 0 HG21 ILE A 128 -3.653 -20.668 -6.181 1.00 1.84 H new ATOM 0 HG22 ILE A 128 -3.651 -21.756 -4.773 1.00 1.84 H new ATOM 0 HG23 ILE A 128 -4.570 -20.233 -4.719 1.00 1.84 H new ATOM 0 HD11 ILE A 128 -2.123 -17.578 -7.004 1.00 1.91 H new ATOM 0 HD12 ILE A 128 -1.307 -19.157 -6.909 1.00 1.91 H new ATOM 0 HD13 ILE A 128 -3.079 -19.079 -7.055 1.00 1.91 H new ATOM 1933 N ILE A 129 -0.615 -18.794 -2.074 1.00 1.54 N ATOM 1934 CA ILE A 129 0.696 -18.524 -1.524 1.00 1.47 C ATOM 1935 C ILE A 129 0.536 -17.521 -0.382 1.00 1.51 C ATOM 1936 O ILE A 129 -0.495 -16.856 -0.275 1.00 1.58 O ATOM 1937 CB ILE A 129 1.612 -18.070 -2.678 1.00 1.37 C ATOM 1938 CG1 ILE A 129 2.667 -19.143 -2.990 1.00 1.55 C ATOM 1939 CG2 ILE A 129 2.171 -16.652 -2.514 1.00 1.20 C ATOM 1940 CD1 ILE A 129 3.854 -19.154 -2.022 1.00 1.45 C ATOM 0 H ILE A 129 -1.182 -17.954 -2.187 1.00 1.54 H new ATOM 0 HA ILE A 129 1.174 -19.401 -1.087 1.00 1.47 H new ATOM 0 HB ILE A 129 0.989 -17.978 -3.568 1.00 1.37 H new ATOM 0 HG12 ILE A 129 2.189 -20.123 -2.973 1.00 1.55 H new ATOM 0 HG13 ILE A 129 3.039 -18.987 -4.003 1.00 1.55 H new ATOM 0 HG21 ILE A 129 2.805 -16.410 -3.367 1.00 1.20 H new ATOM 0 HG22 ILE A 129 1.347 -15.940 -2.460 1.00 1.20 H new ATOM 0 HG23 ILE A 129 2.759 -16.596 -1.598 1.00 1.20 H new ATOM 0 HD11 ILE A 129 4.552 -19.939 -2.311 1.00 1.45 H new ATOM 0 HD12 ILE A 129 4.359 -18.189 -2.055 1.00 1.45 H new ATOM 0 HD13 ILE A 129 3.496 -19.342 -1.010 1.00 1.45 H new ATOM 1952 N GLY A 130 1.549 -17.432 0.483 1.00 1.49 N ATOM 1953 CA GLY A 130 1.535 -16.587 1.662 1.00 1.55 C ATOM 1954 C GLY A 130 2.934 -16.029 1.911 1.00 1.43 C ATOM 1955 O GLY A 130 3.913 -16.578 1.399 1.00 1.35 O ATOM 0 H GLY A 130 2.416 -17.959 0.374 1.00 1.49 H new ATOM 0 HA2 GLY A 130 0.826 -15.770 1.528 1.00 1.55 H new ATOM 0 HA3 GLY A 130 1.202 -17.159 2.528 1.00 1.55 H new ATOM 1959 N PRO A 131 3.039 -14.960 2.714 1.00 1.45 N ATOM 1960 CA PRO A 131 4.276 -14.226 2.920 1.00 1.38 C ATOM 1961 C PRO A 131 5.390 -15.136 3.435 1.00 1.43 C ATOM 1962 O PRO A 131 6.540 -14.970 3.045 1.00 1.36 O ATOM 1963 CB PRO A 131 3.936 -13.101 3.903 1.00 1.43 C ATOM 1964 CG PRO A 131 2.688 -13.610 4.627 1.00 1.57 C ATOM 1965 CD PRO A 131 1.975 -14.412 3.538 1.00 1.55 C ATOM 0 HA PRO A 131 4.660 -13.817 1.986 1.00 1.38 H new ATOM 0 HB2 PRO A 131 4.755 -12.917 4.599 1.00 1.43 H new ATOM 0 HB3 PRO A 131 3.742 -12.162 3.384 1.00 1.43 H new ATOM 0 HG2 PRO A 131 2.943 -14.230 5.486 1.00 1.57 H new ATOM 0 HG3 PRO A 131 2.071 -12.791 4.997 1.00 1.57 H new ATOM 0 HD2 PRO A 131 1.362 -15.204 3.969 1.00 1.55 H new ATOM 0 HD3 PRO A 131 1.310 -13.777 2.952 1.00 1.55 H new ATOM 1973 N ARG A 132 5.054 -16.110 4.289 1.00 1.58 N ATOM 1974 CA ARG A 132 6.019 -17.024 4.885 1.00 1.64 C ATOM 1975 C ARG A 132 6.948 -17.658 3.847 1.00 1.50 C ATOM 1976 O ARG A 132 8.125 -17.873 4.128 1.00 1.46 O ATOM 1977 CB ARG A 132 5.309 -18.082 5.745 1.00 1.84 C ATOM 1978 CG ARG A 132 4.700 -19.232 4.925 1.00 3.15 C ATOM 1979 CD ARG A 132 3.936 -20.209 5.825 1.00 3.62 C ATOM 1980 NE ARG A 132 2.598 -19.699 6.174 1.00 4.75 N ATOM 1981 CZ ARG A 132 1.892 -20.006 7.277 1.00 5.29 C ATOM 1982 NH1 ARG A 132 2.441 -20.726 8.262 1.00 4.69 N ATOM 1983 NH2 ARG A 132 0.624 -19.591 7.387 1.00 6.90 N ATOM 0 H ARG A 132 4.093 -16.282 4.585 1.00 1.58 H new ATOM 0 HA ARG A 132 6.661 -16.435 5.540 1.00 1.64 H new ATOM 0 HB2 ARG A 132 6.020 -18.494 6.461 1.00 1.84 H new ATOM 0 HB3 ARG A 132 4.520 -17.600 6.322 1.00 1.84 H new ATOM 0 HG2 ARG A 132 4.027 -18.827 4.169 1.00 3.15 H new ATOM 0 HG3 ARG A 132 5.491 -19.763 4.395 1.00 3.15 H new ATOM 0 HD2 ARG A 132 3.838 -21.169 5.319 1.00 3.62 H new ATOM 0 HD3 ARG A 132 4.507 -20.386 6.737 1.00 3.62 H new ATOM 0 HE ARG A 132 2.166 -19.051 5.516 1.00 4.75 H new ATOM 0 HH11 ARG A 132 3.405 -21.049 8.181 1.00 4.69 H new ATOM 0 HH12 ARG A 132 1.895 -20.952 9.093 1.00 4.69 H new ATOM 0 HH21 ARG A 132 0.199 -19.046 6.637 1.00 6.90 H new ATOM 0 HH22 ARG A 132 0.083 -19.820 8.221 1.00 6.90 H new ATOM 1997 N ASP A 133 6.420 -17.975 2.662 1.00 1.45 N ATOM 1998 CA ASP A 133 7.220 -18.613 1.631 1.00 1.35 C ATOM 1999 C ASP A 133 8.257 -17.624 1.100 1.00 1.15 C ATOM 2000 O ASP A 133 9.437 -17.943 0.979 1.00 1.09 O ATOM 2001 CB ASP A 133 6.312 -19.130 0.518 1.00 1.43 C ATOM 2002 CG ASP A 133 7.135 -19.944 -0.469 1.00 2.09 C ATOM 2003 OD1 ASP A 133 7.583 -21.037 -0.059 1.00 2.54 O ATOM 2004 OD2 ASP A 133 7.303 -19.453 -1.603 1.00 3.30 O ATOM 0 H ASP A 133 5.450 -17.799 2.401 1.00 1.45 H new ATOM 0 HA ASP A 133 7.753 -19.467 2.050 1.00 1.35 H new ATOM 0 HB2 ASP A 133 5.516 -19.745 0.939 1.00 1.43 H new ATOM 0 HB3 ASP A 133 5.833 -18.295 0.007 1.00 1.43 H new ATOM 2009 N ILE A 134 7.819 -16.388 0.846 1.00 1.09 N ATOM 2010 CA ILE A 134 8.686 -15.322 0.373 1.00 0.95 C ATOM 2011 C ILE A 134 9.757 -15.069 1.434 1.00 0.93 C ATOM 2012 O ILE A 134 10.942 -14.967 1.114 1.00 0.83 O ATOM 2013 CB ILE A 134 7.866 -14.055 0.059 1.00 0.96 C ATOM 2014 CG1 ILE A 134 6.704 -14.372 -0.903 1.00 1.07 C ATOM 2015 CG2 ILE A 134 8.796 -12.992 -0.541 1.00 0.89 C ATOM 2016 CD1 ILE A 134 5.852 -13.144 -1.244 1.00 0.93 C ATOM 0 H ILE A 134 6.847 -16.104 0.965 1.00 1.09 H new ATOM 0 HA ILE A 134 9.174 -15.612 -0.558 1.00 0.95 H new ATOM 0 HB ILE A 134 7.429 -13.674 0.982 1.00 0.96 H new ATOM 0 HG12 ILE A 134 7.107 -14.794 -1.824 1.00 1.07 H new ATOM 0 HG13 ILE A 134 6.068 -15.135 -0.455 1.00 1.07 H new ATOM 0 HG21 ILE A 134 8.223 -12.092 -0.766 1.00 0.89 H new ATOM 0 HG22 ILE A 134 9.583 -12.752 0.174 1.00 0.89 H new ATOM 0 HG23 ILE A 134 9.244 -13.376 -1.458 1.00 0.89 H new ATOM 0 HD11 ILE A 134 5.052 -13.434 -1.925 1.00 0.93 H new ATOM 0 HD12 ILE A 134 5.421 -12.735 -0.330 1.00 0.93 H new ATOM 0 HD13 ILE A 134 6.477 -12.388 -1.720 1.00 0.93 H new ATOM 2028 N ILE A 135 9.327 -14.989 2.697 1.00 1.12 N ATOM 2029 CA ILE A 135 10.212 -14.850 3.838 1.00 1.24 C ATOM 2030 C ILE A 135 11.256 -15.966 3.787 1.00 1.20 C ATOM 2031 O ILE A 135 12.426 -15.651 3.627 1.00 1.14 O ATOM 2032 CB ILE A 135 9.421 -14.746 5.156 1.00 1.57 C ATOM 2033 CG1 ILE A 135 8.643 -13.414 5.164 1.00 1.53 C ATOM 2034 CG2 ILE A 135 10.371 -14.800 6.361 1.00 2.03 C ATOM 2035 CD1 ILE A 135 7.571 -13.344 6.253 1.00 1.87 C ATOM 0 H ILE A 135 8.339 -15.020 2.950 1.00 1.12 H new ATOM 0 HA ILE A 135 10.759 -13.908 3.794 1.00 1.24 H new ATOM 0 HB ILE A 135 8.729 -15.585 5.228 1.00 1.57 H new ATOM 0 HG12 ILE A 135 9.345 -12.592 5.303 1.00 1.53 H new ATOM 0 HG13 ILE A 135 8.172 -13.271 4.191 1.00 1.53 H new ATOM 0 HG21 ILE A 135 9.794 -14.725 7.283 1.00 2.03 H new ATOM 0 HG22 ILE A 135 10.918 -15.743 6.351 1.00 2.03 H new ATOM 0 HG23 ILE A 135 11.076 -13.971 6.306 1.00 2.03 H new ATOM 0 HD11 ILE A 135 7.063 -12.381 6.202 1.00 1.87 H new ATOM 0 HD12 ILE A 135 6.847 -14.145 6.103 1.00 1.87 H new ATOM 0 HD13 ILE A 135 8.038 -13.456 7.231 1.00 1.87 H new ATOM 2047 N LYS A 136 10.873 -17.247 3.820 1.00 1.24 N ATOM 2048 CA LYS A 136 11.783 -18.355 3.701 1.00 1.26 C ATOM 2049 C LYS A 136 12.767 -18.137 2.544 1.00 1.06 C ATOM 2050 O LYS A 136 13.975 -18.223 2.751 1.00 1.09 O ATOM 2051 CB LYS A 136 10.951 -19.646 3.600 1.00 1.43 C ATOM 2052 CG LYS A 136 11.852 -20.725 3.030 1.00 2.02 C ATOM 2053 CD LYS A 136 11.403 -22.173 3.238 1.00 1.97 C ATOM 2054 CE LYS A 136 10.540 -22.676 2.073 1.00 3.57 C ATOM 2055 NZ LYS A 136 10.288 -24.126 2.180 1.00 3.92 N ATOM 0 H LYS A 136 9.900 -17.531 3.933 1.00 1.24 H new ATOM 0 HA LYS A 136 12.419 -18.443 4.582 1.00 1.26 H new ATOM 0 HB2 LYS A 136 10.576 -19.938 4.581 1.00 1.43 H new ATOM 0 HB3 LYS A 136 10.083 -19.493 2.959 1.00 1.43 H new ATOM 0 HG2 LYS A 136 11.956 -20.551 1.959 1.00 2.02 H new ATOM 0 HG3 LYS A 136 12.843 -20.609 3.470 1.00 2.02 H new ATOM 0 HD2 LYS A 136 12.279 -22.813 3.344 1.00 1.97 H new ATOM 0 HD3 LYS A 136 10.838 -22.248 4.167 1.00 1.97 H new ATOM 0 HE2 LYS A 136 9.591 -22.140 2.062 1.00 3.57 H new ATOM 0 HE3 LYS A 136 11.039 -22.460 1.128 1.00 3.57 H new ATOM 0 HZ1 LYS A 136 9.702 -24.437 1.379 1.00 3.92 H new ATOM 0 HZ2 LYS A 136 11.193 -24.638 2.166 1.00 3.92 H new ATOM 0 HZ3 LYS A 136 9.791 -24.327 3.071 1.00 3.92 H new ATOM 2069 N ILE A 137 12.274 -17.854 1.334 1.00 0.94 N ATOM 2070 CA ILE A 137 13.146 -17.633 0.184 1.00 0.86 C ATOM 2071 C ILE A 137 14.225 -16.595 0.532 1.00 0.87 C ATOM 2072 O ILE A 137 15.419 -16.849 0.356 1.00 0.99 O ATOM 2073 CB ILE A 137 12.318 -17.252 -1.063 1.00 0.87 C ATOM 2074 CG1 ILE A 137 11.482 -18.452 -1.547 1.00 1.04 C ATOM 2075 CG2 ILE A 137 13.234 -16.780 -2.199 1.00 0.99 C ATOM 2076 CD1 ILE A 137 10.411 -18.064 -2.575 1.00 2.43 C ATOM 0 H ILE A 137 11.278 -17.773 1.129 1.00 0.94 H new ATOM 0 HA ILE A 137 13.664 -18.559 -0.064 1.00 0.86 H new ATOM 0 HB ILE A 137 11.649 -16.439 -0.783 1.00 0.87 H new ATOM 0 HG12 ILE A 137 12.146 -19.196 -1.986 1.00 1.04 H new ATOM 0 HG13 ILE A 137 11.001 -18.921 -0.689 1.00 1.04 H new ATOM 0 HG21 ILE A 137 12.630 -16.517 -3.068 1.00 0.99 H new ATOM 0 HG22 ILE A 137 13.799 -15.907 -1.872 1.00 0.99 H new ATOM 0 HG23 ILE A 137 13.924 -17.580 -2.466 1.00 0.99 H new ATOM 0 HD11 ILE A 137 9.857 -18.953 -2.876 1.00 2.43 H new ATOM 0 HD12 ILE A 137 9.726 -17.342 -2.131 1.00 2.43 H new ATOM 0 HD13 ILE A 137 10.889 -17.621 -3.449 1.00 2.43 H new ATOM 2088 N ILE A 138 13.830 -15.419 1.028 1.00 0.86 N ATOM 2089 CA ILE A 138 14.815 -14.392 1.352 1.00 1.00 C ATOM 2090 C ILE A 138 15.669 -14.713 2.581 1.00 1.20 C ATOM 2091 O ILE A 138 16.816 -14.276 2.632 1.00 1.37 O ATOM 2092 CB ILE A 138 14.230 -12.976 1.356 1.00 1.01 C ATOM 2093 CG1 ILE A 138 13.145 -12.707 2.402 1.00 1.07 C ATOM 2094 CG2 ILE A 138 13.673 -12.638 -0.035 1.00 0.90 C ATOM 2095 CD1 ILE A 138 13.675 -12.348 3.790 1.00 1.65 C ATOM 0 H ILE A 138 12.860 -15.161 1.209 1.00 0.86 H new ATOM 0 HA ILE A 138 15.523 -14.407 0.524 1.00 1.00 H new ATOM 0 HB ILE A 138 15.068 -12.334 1.629 1.00 1.01 H new ATOM 0 HG12 ILE A 138 12.511 -11.894 2.048 1.00 1.07 H new ATOM 0 HG13 ILE A 138 12.513 -13.591 2.486 1.00 1.07 H new ATOM 0 HG21 ILE A 138 13.258 -11.630 -0.026 1.00 0.90 H new ATOM 0 HG22 ILE A 138 14.475 -12.694 -0.771 1.00 0.90 H new ATOM 0 HG23 ILE A 138 12.890 -13.350 -0.296 1.00 0.90 H new ATOM 0 HD11 ILE A 138 12.837 -12.174 4.466 1.00 1.65 H new ATOM 0 HD12 ILE A 138 14.284 -13.168 4.170 1.00 1.65 H new ATOM 0 HD13 ILE A 138 14.282 -11.445 3.725 1.00 1.65 H new ATOM 2107 N GLU A 139 15.159 -15.484 3.544 1.00 1.24 N ATOM 2108 CA GLU A 139 15.942 -16.007 4.659 1.00 1.47 C ATOM 2109 C GLU A 139 17.049 -16.910 4.112 1.00 1.49 C ATOM 2110 O GLU A 139 18.193 -16.822 4.552 1.00 1.58 O ATOM 2111 CB GLU A 139 15.064 -16.797 5.646 1.00 1.58 C ATOM 2112 CG GLU A 139 14.056 -15.939 6.425 1.00 1.68 C ATOM 2113 CD GLU A 139 13.293 -16.768 7.452 1.00 2.35 C ATOM 2114 OE1 GLU A 139 12.576 -17.694 7.016 1.00 3.11 O ATOM 2115 OE2 GLU A 139 13.437 -16.458 8.653 1.00 2.80 O ATOM 0 H GLU A 139 14.179 -15.764 3.569 1.00 1.24 H new ATOM 0 HA GLU A 139 16.375 -15.166 5.201 1.00 1.47 H new ATOM 0 HB2 GLU A 139 14.520 -17.565 5.096 1.00 1.58 H new ATOM 0 HB3 GLU A 139 15.710 -17.312 6.357 1.00 1.58 H new ATOM 0 HG2 GLU A 139 14.580 -15.127 6.928 1.00 1.68 H new ATOM 0 HG3 GLU A 139 13.352 -15.481 5.730 1.00 1.68 H new ATOM 2122 N GLU A 140 16.710 -17.752 3.132 1.00 1.44 N ATOM 2123 CA GLU A 140 17.646 -18.656 2.478 1.00 1.50 C ATOM 2124 C GLU A 140 18.756 -17.828 1.828 1.00 1.54 C ATOM 2125 O GLU A 140 19.925 -18.204 1.874 1.00 1.67 O ATOM 2126 CB GLU A 140 16.906 -19.543 1.449 1.00 1.43 C ATOM 2127 CG GLU A 140 16.962 -21.057 1.747 1.00 2.25 C ATOM 2128 CD GLU A 140 15.571 -21.686 1.818 1.00 3.07 C ATOM 2129 OE1 GLU A 140 14.908 -21.725 0.759 1.00 3.22 O ATOM 2130 OE2 GLU A 140 15.186 -22.126 2.923 1.00 4.36 O ATOM 0 H GLU A 140 15.760 -17.822 2.768 1.00 1.44 H new ATOM 0 HA GLU A 140 18.097 -19.327 3.209 1.00 1.50 H new ATOM 0 HB2 GLU A 140 15.862 -19.233 1.406 1.00 1.43 H new ATOM 0 HB3 GLU A 140 17.332 -19.364 0.462 1.00 1.43 H new ATOM 0 HG2 GLU A 140 17.545 -21.556 0.973 1.00 2.25 H new ATOM 0 HG3 GLU A 140 17.481 -21.220 2.692 1.00 2.25 H new ATOM 2137 N ILE A 141 18.394 -16.689 1.229 1.00 1.44 N ATOM 2138 CA ILE A 141 19.378 -15.785 0.656 1.00 1.47 C ATOM 2139 C ILE A 141 20.179 -15.076 1.757 1.00 1.54 C ATOM 2140 O ILE A 141 21.384 -14.879 1.621 1.00 1.64 O ATOM 2141 CB ILE A 141 18.683 -14.779 -0.273 1.00 1.35 C ATOM 2142 CG1 ILE A 141 18.039 -15.494 -1.468 1.00 1.16 C ATOM 2143 CG2 ILE A 141 19.745 -13.812 -0.798 1.00 1.57 C ATOM 2144 CD1 ILE A 141 17.002 -14.625 -2.190 1.00 1.26 C ATOM 0 H ILE A 141 17.428 -16.378 1.132 1.00 1.44 H new ATOM 0 HA ILE A 141 20.088 -16.363 0.065 1.00 1.47 H new ATOM 0 HB ILE A 141 17.904 -14.255 0.281 1.00 1.35 H new ATOM 0 HG12 ILE A 141 18.817 -15.786 -2.174 1.00 1.16 H new ATOM 0 HG13 ILE A 141 17.561 -16.411 -1.123 1.00 1.16 H new ATOM 0 HG21 ILE A 141 19.278 -13.085 -1.462 1.00 1.57 H new ATOM 0 HG22 ILE A 141 20.210 -13.292 0.040 1.00 1.57 H new ATOM 0 HG23 ILE A 141 20.505 -14.369 -1.346 1.00 1.57 H new ATOM 0 HD11 ILE A 141 16.579 -15.182 -3.026 1.00 1.26 H new ATOM 0 HD12 ILE A 141 16.207 -14.355 -1.495 1.00 1.26 H new ATOM 0 HD13 ILE A 141 17.482 -13.720 -2.562 1.00 1.26 H new ATOM 2156 N GLY A 142 19.493 -14.651 2.817 1.00 1.50 N ATOM 2157 CA GLY A 142 20.031 -13.841 3.894 1.00 1.54 C ATOM 2158 C GLY A 142 19.706 -12.356 3.709 1.00 1.33 C ATOM 2159 O GLY A 142 20.491 -11.510 4.131 1.00 1.37 O ATOM 0 H GLY A 142 18.506 -14.874 2.948 1.00 1.50 H new ATOM 0 HA2 GLY A 142 19.625 -14.186 4.845 1.00 1.54 H new ATOM 0 HA3 GLY A 142 21.112 -13.973 3.942 1.00 1.54 H new ATOM 2163 N PHE A 143 18.549 -12.027 3.117 1.00 1.15 N ATOM 2164 CA PHE A 143 18.003 -10.667 3.172 1.00 1.01 C ATOM 2165 C PHE A 143 16.888 -10.606 4.218 1.00 1.04 C ATOM 2166 O PHE A 143 16.606 -11.606 4.874 1.00 1.21 O ATOM 2167 CB PHE A 143 17.531 -10.214 1.784 1.00 0.85 C ATOM 2168 CG PHE A 143 18.602 -10.214 0.710 1.00 0.94 C ATOM 2169 CD1 PHE A 143 19.844 -9.590 0.944 1.00 2.27 C ATOM 2170 CD2 PHE A 143 18.323 -10.754 -0.559 1.00 1.97 C ATOM 2171 CE1 PHE A 143 20.825 -9.567 -0.063 1.00 2.38 C ATOM 2172 CE2 PHE A 143 19.287 -10.683 -1.578 1.00 2.06 C ATOM 2173 CZ PHE A 143 20.555 -10.138 -1.317 1.00 1.35 C ATOM 0 H PHE A 143 17.974 -12.687 2.594 1.00 1.15 H new ATOM 0 HA PHE A 143 18.784 -9.970 3.476 1.00 1.01 H new ATOM 0 HB2 PHE A 143 16.717 -10.864 1.464 1.00 0.85 H new ATOM 0 HB3 PHE A 143 17.121 -9.207 1.867 1.00 0.85 H new ATOM 0 HD1 PHE A 143 20.043 -9.128 1.900 1.00 2.27 H new ATOM 0 HD2 PHE A 143 17.369 -11.223 -0.749 1.00 1.97 H new ATOM 0 HE1 PHE A 143 21.785 -9.111 0.128 1.00 2.38 H new ATOM 0 HE2 PHE A 143 19.052 -11.049 -2.567 1.00 2.06 H new ATOM 0 HZ PHE A 143 21.320 -10.158 -2.079 1.00 1.35 H new ATOM 2183 N HIS A 144 16.254 -9.438 4.387 1.00 0.98 N ATOM 2184 CA HIS A 144 15.171 -9.241 5.341 1.00 1.11 C ATOM 2185 C HIS A 144 14.107 -8.444 4.601 1.00 1.01 C ATOM 2186 O HIS A 144 14.371 -7.307 4.212 1.00 1.02 O ATOM 2187 CB HIS A 144 15.707 -8.499 6.571 1.00 1.32 C ATOM 2188 CG HIS A 144 14.755 -8.292 7.731 1.00 2.80 C ATOM 2189 ND1 HIS A 144 15.140 -7.953 9.009 1.00 3.64 N ATOM 2190 CD2 HIS A 144 13.382 -8.312 7.718 1.00 4.40 C ATOM 2191 CE1 HIS A 144 14.026 -7.765 9.739 1.00 5.16 C ATOM 2192 NE2 HIS A 144 12.927 -7.962 8.992 1.00 5.70 N ATOM 0 H HIS A 144 16.486 -8.599 3.856 1.00 0.98 H new ATOM 0 HA HIS A 144 14.748 -10.178 5.705 1.00 1.11 H new ATOM 0 HB2 HIS A 144 16.575 -9.044 6.941 1.00 1.32 H new ATOM 0 HB3 HIS A 144 16.060 -7.520 6.246 1.00 1.32 H new ATOM 0 HD1 HIS A 144 16.099 -7.861 9.343 1.00 3.64 H new ATOM 0 HD2 HIS A 144 12.761 -8.556 6.869 1.00 4.40 H new ATOM 0 HE1 HIS A 144 14.016 -7.493 10.784 1.00 5.16 H new ATOM 2200 N ALA A 145 12.949 -9.072 4.388 1.00 1.00 N ATOM 2201 CA ALA A 145 11.769 -8.501 3.759 1.00 1.06 C ATOM 2202 C ALA A 145 10.729 -8.210 4.840 1.00 1.29 C ATOM 2203 O ALA A 145 10.141 -9.130 5.404 1.00 1.32 O ATOM 2204 CB ALA A 145 11.213 -9.477 2.723 1.00 1.00 C ATOM 0 H ALA A 145 12.808 -10.043 4.666 1.00 1.00 H new ATOM 0 HA ALA A 145 12.026 -7.573 3.249 1.00 1.06 H new ATOM 0 HB1 ALA A 145 10.329 -9.045 2.254 1.00 1.00 H new ATOM 0 HB2 ALA A 145 11.969 -9.670 1.962 1.00 1.00 H new ATOM 0 HB3 ALA A 145 10.944 -10.413 3.213 1.00 1.00 H new ATOM 2210 N SER A 146 10.518 -6.931 5.134 1.00 1.50 N ATOM 2211 CA SER A 146 9.662 -6.447 6.201 1.00 1.64 C ATOM 2212 C SER A 146 8.382 -5.925 5.549 1.00 1.95 C ATOM 2213 O SER A 146 8.360 -4.803 5.049 1.00 2.24 O ATOM 2214 CB SER A 146 10.418 -5.358 6.976 1.00 2.06 C ATOM 2215 OG SER A 146 11.716 -5.804 7.335 1.00 2.24 O ATOM 0 H SER A 146 10.959 -6.175 4.611 1.00 1.50 H new ATOM 0 HA SER A 146 9.396 -7.226 6.915 1.00 1.64 H new ATOM 0 HB2 SER A 146 10.494 -4.458 6.366 1.00 2.06 H new ATOM 0 HB3 SER A 146 9.860 -5.090 7.873 1.00 2.06 H new ATOM 0 HG SER A 146 11.646 -6.486 8.035 1.00 2.24 H new ATOM 2221 N LEU A 147 7.351 -6.769 5.488 1.00 2.18 N ATOM 2222 CA LEU A 147 6.063 -6.499 4.864 1.00 2.84 C ATOM 2223 C LEU A 147 5.349 -5.338 5.549 1.00 3.10 C ATOM 2224 O LEU A 147 4.530 -5.562 6.438 1.00 4.11 O ATOM 2225 CB LEU A 147 5.208 -7.769 4.816 1.00 3.87 C ATOM 2226 CG LEU A 147 5.157 -8.504 6.166 1.00 4.33 C ATOM 2227 CD1 LEU A 147 3.702 -8.755 6.579 1.00 5.36 C ATOM 2228 CD2 LEU A 147 5.899 -9.838 6.063 1.00 4.86 C ATOM 0 H LEU A 147 7.398 -7.704 5.893 1.00 2.18 H new ATOM 0 HA LEU A 147 6.236 -6.190 3.833 1.00 2.84 H new ATOM 0 HB2 LEU A 147 4.195 -7.508 4.511 1.00 3.87 H new ATOM 0 HB3 LEU A 147 5.606 -8.441 4.056 1.00 3.87 H new ATOM 0 HG LEU A 147 5.638 -7.881 6.920 1.00 4.33 H new ATOM 0 HD11 LEU A 147 3.680 -9.276 7.536 1.00 5.36 H new ATOM 0 HD12 LEU A 147 3.181 -7.802 6.672 1.00 5.36 H new ATOM 0 HD13 LEU A 147 3.209 -9.366 5.822 1.00 5.36 H new ATOM 0 HD21 LEU A 147 5.858 -10.352 7.023 1.00 4.86 H new ATOM 0 HD22 LEU A 147 5.429 -10.458 5.299 1.00 4.86 H new ATOM 0 HD23 LEU A 147 6.939 -9.656 5.793 1.00 4.86 H new ATOM 2240 N ALA A 148 5.673 -4.107 5.143 1.00 2.49 N ATOM 2241 CA ALA A 148 5.127 -2.892 5.731 1.00 3.11 C ATOM 2242 C ALA A 148 5.198 -2.973 7.262 1.00 3.18 C ATOM 2243 O ALA A 148 4.188 -2.846 7.955 1.00 4.35 O ATOM 2244 CB ALA A 148 3.701 -2.699 5.213 1.00 4.70 C ATOM 0 H ALA A 148 6.332 -3.930 4.385 1.00 2.49 H new ATOM 0 HA ALA A 148 5.713 -2.020 5.439 1.00 3.11 H new ATOM 0 HB1 ALA A 148 3.277 -1.792 5.644 1.00 4.70 H new ATOM 0 HB2 ALA A 148 3.717 -2.611 4.127 1.00 4.70 H new ATOM 0 HB3 ALA A 148 3.091 -3.556 5.498 1.00 4.70 H new ATOM 2250 N GLN A 149 6.398 -3.260 7.772 1.00 3.24 N ATOM 2251 CA GLN A 149 6.677 -3.436 9.188 1.00 4.79 C ATOM 2252 C GLN A 149 7.555 -2.282 9.660 1.00 5.56 C ATOM 2253 O GLN A 149 8.453 -1.908 8.873 1.00 6.23 O ATOM 2254 CB GLN A 149 7.398 -4.778 9.398 1.00 5.73 C ATOM 2255 CG GLN A 149 6.932 -5.508 10.662 1.00 6.63 C ATOM 2256 CD GLN A 149 5.772 -6.463 10.388 1.00 6.51 C ATOM 2257 OE1 GLN A 149 5.812 -7.618 10.798 1.00 7.67 O ATOM 2258 NE2 GLN A 149 4.737 -6.017 9.683 1.00 5.73 N ATOM 2259 OXT GLN A 149 7.334 -1.826 10.802 1.00 6.08 O ATOM 0 H GLN A 149 7.225 -3.379 7.187 1.00 3.24 H new ATOM 0 HA GLN A 149 5.750 -3.442 9.762 1.00 4.79 H new ATOM 0 HB2 GLN A 149 7.228 -5.417 8.531 1.00 5.73 H new ATOM 0 HB3 GLN A 149 8.472 -4.603 9.460 1.00 5.73 H new ATOM 0 HG2 GLN A 149 7.767 -6.067 11.084 1.00 6.63 H new ATOM 0 HG3 GLN A 149 6.628 -4.776 11.410 1.00 6.63 H new ATOM 0 HE21 GLN A 149 4.723 -5.053 9.351 1.00 5.73 H new ATOM 0 HE22 GLN A 149 3.956 -6.639 9.474 1.00 5.73 H new