USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 715 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 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.5) USER MOD Set 2.1: A 14 THR OG1 : rot -60:sc= 0.404 USER MOD Set 2.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= -1.07! (180deg=-1.61) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -46:sc= 1.25 USER MOD Single : A 17 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.35) USER MOD Single : A 20 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.0438 (180deg=-0.315) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -11:sc= 0.926 USER MOD Single : A 29 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.018) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 31:sc= -1.85! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 0:sc= -0.898! USER MOD Single : A 59 MET CE :methyl -123:sc= -0.186 (180deg=-1.98) USER MOD Single : A 62 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.39) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 136:sc= -1.8 (180deg=-4.34!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -2.6! C(o=-2.6!,f=-2.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 108:sc= 1.03 USER MOD Single : A 86 ASN : amide:sc= -1.43 K(o=-1.4,f=-2.1) USER MOD Single : A 90 GLN : amide:sc= -0.698 K(o=-0.7,f=-2.3!) USER MOD Single : A 91 THR OG1 : rot 117:sc= 1.05 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 15:sc= -1.02 USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.805) USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 1.22 (180deg=1.2) USER MOD Single : A 105 LYS NZ :NH3+ 142:sc= 0.934 (180deg=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.159 -12.776 6.035 1.00 0.00 N ATOM 2 CA ALA A 1 9.959 -11.925 4.841 1.00 0.00 C ATOM 3 C ALA A 1 9.240 -10.630 5.212 1.00 0.00 C ATOM 4 O ALA A 1 9.677 -9.541 4.834 1.00 0.00 O ATOM 5 CB ALA A 1 9.181 -12.681 3.772 1.00 0.00 C ATOM 0 H1 ALA A 1 10.649 -13.651 5.760 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.733 -12.263 6.735 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.236 -13.013 6.451 1.00 0.00 H new ATOM 0 HA ALA A 1 10.938 -11.667 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.043 -12.040 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.735 -13.574 3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.207 -12.971 4.167 1.00 0.00 H new ATOM 13 N PHE A 2 8.168 -10.749 5.991 1.00 0.00 N ATOM 14 CA PHE A 2 7.408 -9.588 6.446 1.00 0.00 C ATOM 15 C PHE A 2 6.867 -9.826 7.854 1.00 0.00 C ATOM 16 O PHE A 2 6.719 -10.968 8.277 1.00 0.00 O ATOM 17 CB PHE A 2 6.234 -9.283 5.501 1.00 0.00 C ATOM 18 CG PHE A 2 6.621 -8.660 4.185 1.00 0.00 C ATOM 19 CD1 PHE A 2 6.997 -9.444 3.107 1.00 0.00 C ATOM 20 CD2 PHE A 2 6.578 -7.287 4.022 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.331 -8.867 1.896 1.00 0.00 C ATOM 22 CE2 PHE A 2 6.905 -6.703 2.813 1.00 0.00 C ATOM 23 CZ PHE A 2 7.284 -7.495 1.748 1.00 0.00 C ATOM 0 H PHE A 2 7.805 -11.643 6.322 1.00 0.00 H new ATOM 0 HA PHE A 2 8.086 -8.734 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.697 -10.210 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.540 -8.615 6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 2 7.030 -10.518 3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 2 6.284 -6.662 4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.629 -9.490 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.864 -5.630 2.702 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.543 -7.043 0.802 1.00 0.00 H new ATOM 32 N ASP A 3 6.472 -8.748 8.518 1.00 0.00 N ATOM 33 CA ASP A 3 5.814 -8.817 9.824 1.00 0.00 C ATOM 34 C ASP A 3 5.370 -7.433 10.261 1.00 0.00 C ATOM 35 O ASP A 3 4.186 -7.131 10.201 1.00 0.00 O ATOM 36 CB ASP A 3 6.705 -9.464 10.877 1.00 0.00 C ATOM 37 CG ASP A 3 6.110 -9.391 12.268 1.00 0.00 C ATOM 38 OD1 ASP A 3 5.049 -10.014 12.496 1.00 0.00 O ATOM 39 OD2 ASP A 3 6.701 -8.718 13.145 1.00 0.00 O ATOM 0 H ASP A 3 6.597 -7.798 8.169 1.00 0.00 H new ATOM 0 HA ASP A 3 4.934 -9.451 9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.874 -10.508 10.613 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.678 -8.973 10.876 1.00 0.00 H new ATOM 43 N GLY A 4 6.290 -6.520 10.517 1.00 0.00 N ATOM 44 CA GLY A 4 5.871 -5.166 10.483 1.00 0.00 C ATOM 45 C GLY A 4 6.918 -4.179 10.870 1.00 0.00 C ATOM 46 O GLY A 4 6.755 -3.577 11.928 1.00 0.00 O ATOM 0 H GLY A 4 7.271 -6.692 10.737 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.525 -4.932 9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.016 -5.048 11.149 1.00 0.00 H new ATOM 50 N THR A 5 7.683 -3.704 9.902 1.00 0.00 N ATOM 51 CA THR A 5 8.325 -2.419 10.044 1.00 0.00 C ATOM 52 C THR A 5 9.076 -2.031 8.770 1.00 0.00 C ATOM 53 O THR A 5 10.212 -2.448 8.577 1.00 0.00 O ATOM 54 CB THR A 5 9.256 -2.296 11.273 1.00 0.00 C ATOM 55 OG1 THR A 5 9.568 -3.586 11.823 1.00 0.00 O ATOM 56 CG2 THR A 5 8.619 -1.404 12.339 1.00 0.00 C ATOM 0 H THR A 5 7.870 -4.185 9.022 1.00 0.00 H new ATOM 0 HA THR A 5 7.509 -1.718 10.217 1.00 0.00 H new ATOM 0 HB THR A 5 10.188 -1.838 10.941 1.00 0.00 H new ATOM 0 HG1 THR A 5 10.159 -3.477 12.597 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.287 -1.328 13.197 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.445 -0.411 11.926 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.670 -1.836 12.656 1.00 0.00 H new ATOM 64 N TRP A 6 8.506 -1.145 7.964 1.00 0.00 N ATOM 65 CA TRP A 6 9.217 -0.615 6.795 1.00 0.00 C ATOM 66 C TRP A 6 8.913 0.867 6.666 1.00 0.00 C ATOM 67 O TRP A 6 7.907 1.234 6.070 1.00 0.00 O ATOM 68 CB TRP A 6 8.761 -1.302 5.487 1.00 0.00 C ATOM 69 CG TRP A 6 8.880 -2.802 5.445 1.00 0.00 C ATOM 70 CD1 TRP A 6 8.315 -3.700 6.303 1.00 0.00 C ATOM 71 CD2 TRP A 6 9.579 -3.579 4.461 1.00 0.00 C ATOM 72 NE1 TRP A 6 8.647 -4.979 5.936 1.00 0.00 N ATOM 73 CE2 TRP A 6 9.416 -4.934 4.807 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.337 -3.262 3.329 1.00 0.00 C ATOM 75 CZ2 TRP A 6 9.980 -5.968 4.062 1.00 0.00 C ATOM 76 CZ3 TRP A 6 10.891 -4.290 2.590 1.00 0.00 C ATOM 77 CH2 TRP A 6 10.712 -5.628 2.959 1.00 0.00 C ATOM 0 H TRP A 6 7.563 -0.778 8.091 1.00 0.00 H new ATOM 0 HA TRP A 6 10.281 -0.800 6.941 1.00 0.00 H new ATOM 0 HB2 TRP A 6 7.719 -1.036 5.306 1.00 0.00 H new ATOM 0 HB3 TRP A 6 9.343 -0.889 4.663 1.00 0.00 H new ATOM 0 HD1 TRP A 6 7.696 -3.441 7.149 1.00 0.00 H new ATOM 0 HE1 TRP A 6 8.365 -5.828 6.427 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.487 -2.233 3.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 9.844 -7.001 4.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.473 -4.056 1.711 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.161 -6.407 2.361 1.00 0.00 H new ATOM 87 N LYS A 7 9.803 1.729 7.141 1.00 0.00 N ATOM 88 CA LYS A 7 9.544 3.157 7.057 1.00 0.00 C ATOM 89 C LYS A 7 10.771 3.992 7.395 1.00 0.00 C ATOM 90 O LYS A 7 11.775 3.477 7.880 1.00 0.00 O ATOM 91 CB LYS A 7 8.380 3.524 7.975 1.00 0.00 C ATOM 92 CG LYS A 7 7.549 4.697 7.490 1.00 0.00 C ATOM 93 CD LYS A 7 6.715 4.347 6.271 1.00 0.00 C ATOM 94 CE LYS A 7 5.653 5.406 6.021 1.00 0.00 C ATOM 95 NZ LYS A 7 4.757 5.058 4.886 1.00 0.00 N ATOM 0 H LYS A 7 10.688 1.472 7.578 1.00 0.00 H new ATOM 0 HA LYS A 7 9.283 3.384 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.731 2.655 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.772 3.756 8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.892 5.031 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.208 5.531 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.360 4.259 5.397 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.240 3.377 6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.056 5.537 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.138 6.361 5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.434 5.929 4.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.275 4.470 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.934 4.531 5.242 1.00 0.00 H new ATOM 105 N VAL A 8 10.683 5.276 7.072 1.00 0.00 N ATOM 106 CA VAL A 8 11.776 6.218 7.259 1.00 0.00 C ATOM 107 C VAL A 8 11.539 7.117 8.471 1.00 0.00 C ATOM 108 O VAL A 8 10.467 7.704 8.607 1.00 0.00 O ATOM 109 CB VAL A 8 11.920 7.124 6.019 1.00 0.00 C ATOM 110 CG1 VAL A 8 13.152 8.010 6.130 1.00 0.00 C ATOM 111 CG2 VAL A 8 11.963 6.294 4.744 1.00 0.00 C ATOM 0 H VAL A 8 9.844 5.695 6.670 1.00 0.00 H new ATOM 0 HA VAL A 8 12.681 5.630 7.414 1.00 0.00 H new ATOM 0 HB VAL A 8 11.044 7.771 5.973 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.229 8.638 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.068 8.641 7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.042 7.387 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.065 6.955 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.813 5.613 4.782 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.042 5.719 4.653 1.00 0.00 H new ATOM 121 N GLY A 9 12.596 7.337 9.245 1.00 0.00 N ATOM 122 CA GLY A 9 12.561 8.316 10.318 1.00 0.00 C ATOM 123 C GLY A 9 11.425 8.122 11.302 1.00 0.00 C ATOM 124 O GLY A 9 11.177 7.011 11.772 1.00 0.00 O ATOM 0 H GLY A 9 13.486 6.849 9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.506 8.278 10.860 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.483 9.312 9.883 1.00 0.00 H new ATOM 128 N GLY A 10 10.754 9.220 11.637 1.00 0.00 N ATOM 129 CA GLY A 10 9.676 9.177 12.606 1.00 0.00 C ATOM 130 C GLY A 10 8.361 8.717 12.011 1.00 0.00 C ATOM 131 O GLY A 10 7.290 9.134 12.455 1.00 0.00 O ATOM 0 H GLY A 10 10.941 10.145 11.250 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.954 8.508 13.420 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.545 10.169 13.039 1.00 0.00 H new ATOM 135 N LEU A 11 8.436 7.807 11.055 1.00 0.00 N ATOM 136 CA LEU A 11 7.252 7.201 10.479 1.00 0.00 C ATOM 137 C LEU A 11 7.334 5.702 10.701 1.00 0.00 C ATOM 138 O LEU A 11 8.421 5.126 10.648 1.00 0.00 O ATOM 139 CB LEU A 11 7.137 7.485 8.973 1.00 0.00 C ATOM 140 CG LEU A 11 7.413 8.922 8.519 1.00 0.00 C ATOM 141 CD1 LEU A 11 7.200 9.050 7.018 1.00 0.00 C ATOM 142 CD2 LEU A 11 6.526 9.906 9.265 1.00 0.00 C ATOM 0 H LEU A 11 9.314 7.470 10.660 1.00 0.00 H new ATOM 0 HA LEU A 11 6.372 7.626 10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.828 6.824 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.131 7.214 8.652 1.00 0.00 H new ATOM 0 HG LEU A 11 8.452 9.160 8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.399 10.076 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.878 8.375 6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.170 8.791 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.741 10.919 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.479 9.672 9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.721 9.833 10.335 1.00 0.00 H new ATOM 153 N LYS A 12 6.206 5.072 10.965 1.00 0.00 N ATOM 154 CA LYS A 12 6.187 3.636 11.165 1.00 0.00 C ATOM 155 C LYS A 12 5.262 2.965 10.166 1.00 0.00 C ATOM 156 O LYS A 12 4.194 3.487 9.837 1.00 0.00 O ATOM 157 CB LYS A 12 5.773 3.281 12.597 1.00 0.00 C ATOM 158 CG LYS A 12 4.418 3.833 13.017 1.00 0.00 C ATOM 159 CD LYS A 12 4.027 3.354 14.407 1.00 0.00 C ATOM 160 CE LYS A 12 5.066 3.743 15.443 1.00 0.00 C ATOM 161 NZ LYS A 12 4.675 3.313 16.810 1.00 0.00 N ATOM 0 H LYS A 12 5.297 5.528 11.046 1.00 0.00 H new ATOM 0 HA LYS A 12 7.199 3.266 11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.757 2.196 12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.532 3.654 13.284 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.447 4.922 13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.659 3.524 12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.062 3.779 14.681 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.907 2.271 14.399 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.024 3.294 15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.206 4.824 15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.411 3.598 17.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.773 3.761 17.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.567 2.279 16.831 1.00 0.00 H new ATOM 171 N LEU A 13 5.681 1.807 9.691 1.00 0.00 N ATOM 172 CA LEU A 13 4.893 1.024 8.761 1.00 0.00 C ATOM 173 C LEU A 13 5.049 -0.437 9.128 1.00 0.00 C ATOM 174 O LEU A 13 6.138 -0.889 9.427 1.00 0.00 O ATOM 175 CB LEU A 13 5.353 1.278 7.316 1.00 0.00 C ATOM 176 CG LEU A 13 4.317 1.028 6.203 1.00 0.00 C ATOM 177 CD1 LEU A 13 4.880 1.423 4.844 1.00 0.00 C ATOM 178 CD2 LEU A 13 3.879 -0.426 6.166 1.00 0.00 C ATOM 0 H LEU A 13 6.576 1.384 9.939 1.00 0.00 H new ATOM 0 HA LEU A 13 3.843 1.311 8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.687 2.313 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.221 0.648 7.120 1.00 0.00 H new ATOM 0 HG LEU A 13 3.448 1.646 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.132 1.238 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.140 2.482 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.772 0.832 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.148 -0.566 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.744 -1.062 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.429 -0.695 7.122 1.00 0.00 H new ATOM 189 N THR A 14 3.947 -1.137 9.197 1.00 0.00 N ATOM 190 CA THR A 14 3.935 -2.524 9.602 1.00 0.00 C ATOM 191 C THR A 14 3.184 -3.358 8.576 1.00 0.00 C ATOM 192 O THR A 14 2.098 -2.989 8.145 1.00 0.00 O ATOM 193 CB THR A 14 3.284 -2.665 10.991 1.00 0.00 C ATOM 194 OG1 THR A 14 4.148 -2.104 11.987 1.00 0.00 O ATOM 195 CG2 THR A 14 2.965 -4.113 11.334 1.00 0.00 C ATOM 0 H THR A 14 3.025 -0.761 8.973 1.00 0.00 H new ATOM 0 HA THR A 14 4.962 -2.886 9.662 1.00 0.00 H new ATOM 0 HB THR A 14 2.339 -2.122 10.969 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.006 -2.578 11.980 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.508 -4.161 12.322 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.274 -4.518 10.595 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.884 -4.699 11.331 1.00 0.00 H new ATOM 203 N ILE A 15 3.811 -4.430 8.134 1.00 0.00 N ATOM 204 CA ILE A 15 3.233 -5.291 7.120 1.00 0.00 C ATOM 205 C ILE A 15 3.161 -6.710 7.643 1.00 0.00 C ATOM 206 O ILE A 15 4.157 -7.429 7.615 1.00 0.00 O ATOM 207 CB ILE A 15 4.137 -5.296 5.889 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.353 -3.870 5.368 1.00 0.00 C ATOM 209 CG2 ILE A 15 3.543 -6.183 4.798 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.256 -3.790 4.154 1.00 0.00 C ATOM 0 H ILE A 15 4.729 -4.728 8.464 1.00 0.00 H new ATOM 0 HA ILE A 15 2.238 -4.925 6.868 1.00 0.00 H new ATOM 0 HB ILE A 15 5.107 -5.702 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.385 -3.435 5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.779 -3.263 6.166 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.198 -6.177 3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.445 -7.202 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.561 -5.804 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.360 -2.750 3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.237 -4.194 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.822 -4.369 3.339 1.00 0.00 H new ATOM 221 N THR A 16 2.006 -7.110 8.128 1.00 0.00 N ATOM 222 CA THR A 16 1.881 -8.400 8.783 1.00 0.00 C ATOM 223 C THR A 16 1.190 -9.410 7.884 1.00 0.00 C ATOM 224 O THR A 16 0.220 -9.073 7.202 1.00 0.00 O ATOM 225 CB THR A 16 1.091 -8.258 10.102 1.00 0.00 C ATOM 226 OG1 THR A 16 1.624 -7.172 10.869 1.00 0.00 O ATOM 227 CG2 THR A 16 1.148 -9.535 10.925 1.00 0.00 C ATOM 0 H THR A 16 1.144 -6.567 8.083 1.00 0.00 H new ATOM 0 HA THR A 16 2.887 -8.760 8.999 1.00 0.00 H new ATOM 0 HB THR A 16 0.049 -8.061 9.850 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.602 -7.235 10.890 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.582 -9.400 11.846 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.718 -10.357 10.352 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.185 -9.766 11.167 1.00 0.00 H new ATOM 235 N GLN A 17 1.680 -10.644 7.885 1.00 0.00 N ATOM 236 CA GLN A 17 1.075 -11.680 7.065 1.00 0.00 C ATOM 237 C GLN A 17 1.218 -13.064 7.677 1.00 0.00 C ATOM 238 O GLN A 17 2.240 -13.397 8.279 1.00 0.00 O ATOM 239 CB GLN A 17 1.643 -11.663 5.638 1.00 0.00 C ATOM 240 CG GLN A 17 3.147 -11.431 5.546 1.00 0.00 C ATOM 241 CD GLN A 17 3.967 -12.632 5.965 1.00 0.00 C ATOM 242 OE1 GLN A 17 3.844 -13.717 5.395 1.00 0.00 O ATOM 243 NE2 GLN A 17 4.818 -12.442 6.956 1.00 0.00 N ATOM 0 H GLN A 17 2.483 -10.946 8.437 1.00 0.00 H new ATOM 0 HA GLN A 17 0.010 -11.454 7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.407 -12.613 5.158 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.135 -10.884 5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.404 -11.165 4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.415 -10.581 6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.887 -11.526 7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.406 -13.211 7.278 1.00 0.00 H new ATOM 250 N GLU A 18 0.190 -13.873 7.479 1.00 0.00 N ATOM 251 CA GLU A 18 0.206 -15.263 7.894 1.00 0.00 C ATOM 252 C GLU A 18 0.522 -16.147 6.680 1.00 0.00 C ATOM 253 O GLU A 18 1.545 -15.938 6.028 1.00 0.00 O ATOM 254 CB GLU A 18 -1.127 -15.630 8.557 1.00 0.00 C ATOM 255 CG GLU A 18 -2.352 -15.160 7.785 1.00 0.00 C ATOM 256 CD GLU A 18 -3.645 -15.559 8.458 1.00 0.00 C ATOM 257 OE1 GLU A 18 -3.864 -16.768 8.655 1.00 0.00 O ATOM 258 OE2 GLU A 18 -4.440 -14.665 8.810 1.00 0.00 O ATOM 0 H GLU A 18 -0.677 -13.584 7.027 1.00 0.00 H new ATOM 0 HA GLU A 18 0.985 -15.428 8.639 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.177 -16.713 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.154 -15.200 9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.319 -14.075 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.326 -15.577 6.778 1.00 0.00 H new ATOM 263 N GLY A 19 -0.395 -17.034 6.292 1.00 0.00 N ATOM 264 CA GLY A 19 -0.202 -17.790 5.066 1.00 0.00 C ATOM 265 C GLY A 19 -0.300 -16.888 3.855 1.00 0.00 C ATOM 266 O GLY A 19 0.681 -16.683 3.137 1.00 0.00 O ATOM 0 H GLY A 19 -1.256 -17.240 6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.773 -18.277 5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.951 -18.579 4.999 1.00 0.00 H new ATOM 270 N ASN A 20 -1.413 -16.176 3.779 1.00 0.00 N ATOM 271 CA ASN A 20 -1.587 -15.107 2.813 1.00 0.00 C ATOM 272 C ASN A 20 -2.678 -14.175 3.295 1.00 0.00 C ATOM 273 O ASN A 20 -3.863 -14.380 3.036 1.00 0.00 O ATOM 274 CB ASN A 20 -1.947 -15.642 1.417 1.00 0.00 C ATOM 275 CG ASN A 20 -2.942 -16.800 1.429 1.00 0.00 C ATOM 276 OD1 ASN A 20 -2.686 -17.854 2.010 1.00 0.00 O ATOM 277 ND2 ASN A 20 -4.074 -16.622 0.773 1.00 0.00 N ATOM 0 H ASN A 20 -2.220 -16.324 4.385 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.640 -14.575 2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.362 -14.827 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.034 -15.967 0.918 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.766 -17.370 0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.256 -15.736 0.302 1.00 0.00 H new ATOM 283 N LYS A 21 -2.245 -13.104 3.922 1.00 0.00 N ATOM 284 CA LYS A 21 -3.125 -12.059 4.396 1.00 0.00 C ATOM 285 C LYS A 21 -2.267 -10.898 4.853 1.00 0.00 C ATOM 286 O LYS A 21 -1.435 -11.069 5.736 1.00 0.00 O ATOM 287 CB LYS A 21 -3.992 -12.569 5.548 1.00 0.00 C ATOM 288 CG LYS A 21 -4.994 -11.550 6.037 1.00 0.00 C ATOM 289 CD LYS A 21 -5.870 -12.119 7.137 1.00 0.00 C ATOM 290 CE LYS A 21 -6.433 -11.022 8.022 1.00 0.00 C ATOM 291 NZ LYS A 21 -5.373 -10.388 8.855 1.00 0.00 N ATOM 0 H LYS A 21 -1.259 -12.932 4.120 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.794 -11.741 3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.523 -13.465 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.348 -12.862 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.469 -10.669 6.407 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.618 -11.223 5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.688 -12.687 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.290 -12.815 7.743 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.911 -10.264 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.205 -11.437 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.808 -9.933 9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.700 -11.115 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.870 -9.673 8.292 1.00 0.00 H new ATOM 301 N PHE A 22 -2.375 -9.763 4.198 1.00 0.00 N ATOM 302 CA PHE A 22 -1.490 -8.653 4.501 1.00 0.00 C ATOM 303 C PHE A 22 -2.242 -7.485 5.110 1.00 0.00 C ATOM 304 O PHE A 22 -3.384 -7.205 4.749 1.00 0.00 O ATOM 305 CB PHE A 22 -0.740 -8.194 3.250 1.00 0.00 C ATOM 306 CG PHE A 22 0.386 -9.103 2.836 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.157 -10.439 2.547 1.00 0.00 C ATOM 308 CD2 PHE A 22 1.675 -8.610 2.728 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.193 -11.266 2.162 1.00 0.00 C ATOM 310 CE2 PHE A 22 2.715 -9.431 2.343 1.00 0.00 C ATOM 311 CZ PHE A 22 2.474 -10.761 2.060 1.00 0.00 C ATOM 0 H PHE A 22 -3.057 -9.582 3.461 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.768 -9.012 5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.448 -8.113 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.340 -7.196 3.426 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.844 -10.838 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.869 -7.571 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.002 -12.306 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.716 -9.034 2.263 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.287 -11.406 1.759 1.00 0.00 H new ATOM 320 N THR A 23 -1.559 -6.765 5.978 1.00 0.00 N ATOM 321 CA THR A 23 -2.094 -5.557 6.564 1.00 0.00 C ATOM 322 C THR A 23 -0.978 -4.526 6.672 1.00 0.00 C ATOM 323 O THR A 23 0.176 -4.875 6.935 1.00 0.00 O ATOM 324 CB THR A 23 -2.732 -5.817 7.947 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.403 -4.638 8.407 1.00 0.00 O ATOM 326 CG2 THR A 23 -1.691 -6.240 8.974 1.00 0.00 C ATOM 0 H THR A 23 -0.619 -7.002 6.295 1.00 0.00 H new ATOM 0 HA THR A 23 -2.888 -5.180 5.919 1.00 0.00 H new ATOM 0 HB THR A 23 -3.448 -6.630 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.806 -4.812 9.283 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.177 -6.414 9.934 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.204 -7.157 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.945 -5.452 9.082 1.00 0.00 H new ATOM 334 N VAL A 24 -1.289 -3.294 6.307 1.00 0.00 N ATOM 335 CA VAL A 24 -0.295 -2.242 6.232 1.00 0.00 C ATOM 336 C VAL A 24 -0.568 -1.185 7.283 1.00 0.00 C ATOM 337 O VAL A 24 -1.670 -0.660 7.366 1.00 0.00 O ATOM 338 CB VAL A 24 -0.281 -1.589 4.828 1.00 0.00 C ATOM 339 CG1 VAL A 24 0.668 -0.399 4.783 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.102 -2.613 3.768 1.00 0.00 C ATOM 0 H VAL A 24 -2.232 -2.998 6.056 1.00 0.00 H new ATOM 0 HA VAL A 24 0.681 -2.690 6.416 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.287 -1.226 4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.656 0.038 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.350 0.348 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.679 -0.730 5.022 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.107 -2.137 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.095 -3.007 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.621 -3.429 3.772 1.00 0.00 H new ATOM 350 N LYS A 25 0.452 -0.846 8.046 1.00 0.00 N ATOM 351 CA LYS A 25 0.335 0.183 9.064 1.00 0.00 C ATOM 352 C LYS A 25 0.937 1.472 8.548 1.00 0.00 C ATOM 353 O LYS A 25 2.142 1.560 8.350 1.00 0.00 O ATOM 354 CB LYS A 25 1.064 -0.244 10.344 1.00 0.00 C ATOM 355 CG LYS A 25 1.266 0.885 11.347 1.00 0.00 C ATOM 356 CD LYS A 25 2.155 0.467 12.511 1.00 0.00 C ATOM 357 CE LYS A 25 1.514 -0.643 13.329 1.00 0.00 C ATOM 358 NZ LYS A 25 2.227 -0.866 14.614 1.00 0.00 N ATOM 0 H LYS A 25 1.377 -1.270 7.981 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.720 0.333 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.499 -1.044 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.037 -0.657 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.711 1.742 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.297 1.207 11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.120 0.130 12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.347 1.328 13.151 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.473 -0.391 13.530 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.512 -1.566 12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.760 -1.630 15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.214 -1.131 14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.207 0.007 15.178 1.00 0.00 H new ATOM 368 N GLU A 26 0.095 2.447 8.288 1.00 0.00 N ATOM 369 CA GLU A 26 0.558 3.724 7.784 1.00 0.00 C ATOM 370 C GLU A 26 0.453 4.802 8.849 1.00 0.00 C ATOM 371 O GLU A 26 -0.582 4.950 9.500 1.00 0.00 O ATOM 372 CB GLU A 26 -0.221 4.129 6.532 1.00 0.00 C ATOM 373 CG GLU A 26 0.397 3.593 5.249 1.00 0.00 C ATOM 374 CD GLU A 26 1.782 4.163 4.991 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.217 5.068 5.737 1.00 0.00 O ATOM 376 OE2 GLU A 26 2.444 3.723 4.032 1.00 0.00 O ATOM 0 H GLU A 26 -0.915 2.382 8.417 1.00 0.00 H new ATOM 0 HA GLU A 26 1.609 3.615 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.245 3.766 6.615 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.272 5.216 6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.459 2.506 5.305 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.254 3.832 4.408 1.00 0.00 H new ATOM 381 N SER A 27 1.527 5.560 9.003 1.00 0.00 N ATOM 382 CA SER A 27 1.569 6.663 9.947 1.00 0.00 C ATOM 383 C SER A 27 2.401 7.797 9.364 1.00 0.00 C ATOM 384 O SER A 27 3.583 7.613 9.058 1.00 0.00 O ATOM 385 CB SER A 27 2.171 6.211 11.282 1.00 0.00 C ATOM 386 OG SER A 27 1.499 5.071 11.788 1.00 0.00 O ATOM 0 H SER A 27 2.392 5.428 8.478 1.00 0.00 H new ATOM 0 HA SER A 27 0.551 7.009 10.128 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.229 5.983 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.109 7.024 12.006 1.00 0.00 H new ATOM 0 HG SER A 27 1.904 4.803 12.639 1.00 0.00 H new ATOM 391 N SER A 28 1.771 8.945 9.163 1.00 0.00 N ATOM 392 CA SER A 28 2.433 10.100 8.571 1.00 0.00 C ATOM 393 C SER A 28 1.660 11.370 8.895 1.00 0.00 C ATOM 394 O SER A 28 0.429 11.349 8.959 1.00 0.00 O ATOM 395 CB SER A 28 2.561 9.939 7.050 1.00 0.00 C ATOM 396 OG SER A 28 3.370 8.820 6.713 1.00 0.00 O ATOM 0 H SER A 28 0.792 9.103 9.404 1.00 0.00 H new ATOM 0 HA SER A 28 3.435 10.172 8.995 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.571 9.819 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.992 10.844 6.622 1.00 0.00 H new ATOM 0 HG SER A 28 3.828 8.494 7.516 1.00 0.00 H new ATOM 401 N ASN A 29 2.400 12.453 9.128 1.00 0.00 N ATOM 402 CA ASN A 29 1.834 13.763 9.470 1.00 0.00 C ATOM 403 C ASN A 29 1.160 13.733 10.844 1.00 0.00 C ATOM 404 O ASN A 29 1.732 14.194 11.835 1.00 0.00 O ATOM 405 CB ASN A 29 0.837 14.243 8.404 1.00 0.00 C ATOM 406 CG ASN A 29 1.461 14.506 7.037 1.00 0.00 C ATOM 407 OD1 ASN A 29 0.765 14.914 6.104 1.00 0.00 O ATOM 408 ND2 ASN A 29 2.758 14.267 6.894 1.00 0.00 N ATOM 0 H ASN A 29 3.419 12.449 9.085 1.00 0.00 H new ATOM 0 HA ASN A 29 2.663 14.470 9.504 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.052 13.495 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.360 15.158 8.755 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.208 14.420 5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.305 13.930 7.686 1.00 0.00 H new ATOM 414 N PHE A 30 -0.023 13.134 10.915 1.00 0.00 N ATOM 415 CA PHE A 30 -0.757 13.020 12.168 1.00 0.00 C ATOM 416 C PHE A 30 -1.914 12.036 12.009 1.00 0.00 C ATOM 417 O PHE A 30 -3.081 12.388 12.191 1.00 0.00 O ATOM 418 CB PHE A 30 -1.283 14.396 12.610 1.00 0.00 C ATOM 419 CG PHE A 30 -1.870 14.408 13.996 1.00 0.00 C ATOM 420 CD1 PHE A 30 -1.186 13.841 15.060 1.00 0.00 C ATOM 421 CD2 PHE A 30 -3.106 14.988 14.233 1.00 0.00 C ATOM 422 CE1 PHE A 30 -1.725 13.851 16.332 1.00 0.00 C ATOM 423 CE2 PHE A 30 -3.650 15.000 15.503 1.00 0.00 C ATOM 424 CZ PHE A 30 -2.958 14.431 16.554 1.00 0.00 C ATOM 0 H PHE A 30 -0.496 12.717 10.113 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.080 12.647 12.937 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.467 15.117 12.565 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.042 14.729 11.902 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.221 13.386 14.893 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.651 15.436 13.415 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.182 13.405 17.152 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.615 15.454 15.674 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.381 14.440 17.548 1.00 0.00 H new ATOM 433 N ARG A 31 -1.592 10.806 11.631 1.00 0.00 N ATOM 434 CA ARG A 31 -2.612 9.789 11.408 1.00 0.00 C ATOM 435 C ARG A 31 -2.011 8.388 11.410 1.00 0.00 C ATOM 436 O ARG A 31 -0.929 8.161 10.865 1.00 0.00 O ATOM 437 CB ARG A 31 -3.323 10.040 10.075 1.00 0.00 C ATOM 438 CG ARG A 31 -2.404 9.926 8.875 1.00 0.00 C ATOM 439 CD ARG A 31 -2.996 10.593 7.654 1.00 0.00 C ATOM 440 NE ARG A 31 -2.068 10.591 6.527 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.182 11.403 5.481 1.00 0.00 C ATOM 442 NH1 ARG A 31 -3.173 12.286 5.436 1.00 0.00 N ATOM 443 NH2 ARG A 31 -1.304 11.345 4.487 1.00 0.00 N ATOM 0 H ARG A 31 -0.636 10.489 11.473 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.331 9.854 12.225 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.140 9.327 9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.768 11.035 10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.442 10.382 9.109 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.215 8.874 8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.914 10.079 7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.268 11.620 7.898 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.290 9.931 6.543 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.844 12.339 6.203 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.263 12.911 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.536 10.674 4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.397 11.971 3.687 1.00 0.00 H new ATOM 454 N ASN A 32 -2.749 7.451 11.978 1.00 0.00 N ATOM 455 CA ASN A 32 -2.367 6.046 11.983 1.00 0.00 C ATOM 456 C ASN A 32 -3.527 5.230 11.435 1.00 0.00 C ATOM 457 O ASN A 32 -4.677 5.451 11.820 1.00 0.00 O ATOM 458 CB ASN A 32 -2.012 5.590 13.405 1.00 0.00 C ATOM 459 CG ASN A 32 -1.581 4.132 13.487 1.00 0.00 C ATOM 460 OD1 ASN A 32 -2.352 3.216 13.195 1.00 0.00 O ATOM 461 ND2 ASN A 32 -0.343 3.908 13.897 1.00 0.00 N ATOM 0 H ASN A 32 -3.633 7.641 12.451 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.486 5.900 11.359 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.210 6.220 13.790 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.875 5.742 14.053 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.002 2.952 13.980 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.267 4.692 14.130 1.00 0.00 H new ATOM 467 N ILE A 33 -3.251 4.376 10.466 1.00 0.00 N ATOM 468 CA ILE A 33 -4.300 3.619 9.802 1.00 0.00 C ATOM 469 C ILE A 33 -3.741 2.327 9.220 1.00 0.00 C ATOM 470 O ILE A 33 -2.623 2.298 8.708 1.00 0.00 O ATOM 471 CB ILE A 33 -4.973 4.458 8.687 1.00 0.00 C ATOM 472 CG1 ILE A 33 -6.072 3.649 7.990 1.00 0.00 C ATOM 473 CG2 ILE A 33 -3.939 4.950 7.679 1.00 0.00 C ATOM 474 CD1 ILE A 33 -6.832 4.433 6.944 1.00 0.00 C ATOM 0 H ILE A 33 -2.310 4.188 10.120 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.056 3.372 10.548 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.434 5.331 9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.624 2.773 7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.774 3.285 8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.435 5.537 6.906 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.201 5.570 8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.441 4.095 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.593 3.796 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.310 5.294 7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.142 4.775 6.173 1.00 0.00 H new ATOM 485 N ASP A 34 -4.500 1.249 9.352 1.00 0.00 N ATOM 486 CA ASP A 34 -4.071 -0.048 8.853 1.00 0.00 C ATOM 487 C ASP A 34 -4.917 -0.462 7.661 1.00 0.00 C ATOM 488 O ASP A 34 -6.146 -0.377 7.700 1.00 0.00 O ATOM 489 CB ASP A 34 -4.169 -1.117 9.940 1.00 0.00 C ATOM 490 CG ASP A 34 -3.369 -0.775 11.181 1.00 0.00 C ATOM 491 OD1 ASP A 34 -2.125 -0.778 11.119 1.00 0.00 O ATOM 492 OD2 ASP A 34 -3.985 -0.496 12.231 1.00 0.00 O ATOM 0 H ASP A 34 -5.416 1.247 9.801 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.029 0.044 8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.215 -1.253 10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.818 -2.068 9.539 1.00 0.00 H new ATOM 496 N VAL A 35 -4.262 -0.930 6.614 1.00 0.00 N ATOM 497 CA VAL A 35 -4.950 -1.401 5.424 1.00 0.00 C ATOM 498 C VAL A 35 -4.801 -2.910 5.314 1.00 0.00 C ATOM 499 O VAL A 35 -3.703 -3.409 5.092 1.00 0.00 O ATOM 500 CB VAL A 35 -4.378 -0.750 4.146 1.00 0.00 C ATOM 501 CG1 VAL A 35 -5.257 -1.056 2.942 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.208 0.753 4.326 1.00 0.00 C ATOM 0 H VAL A 35 -3.245 -0.995 6.563 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.001 -1.126 5.514 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.393 -1.179 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.834 -0.587 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.308 -2.135 2.793 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.260 -0.666 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.804 1.186 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.176 1.205 4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.523 0.945 5.152 1.00 0.00 H new ATOM 512 N VAL A 36 -5.886 -3.636 5.513 1.00 0.00 N ATOM 513 CA VAL A 36 -5.829 -5.088 5.471 1.00 0.00 C ATOM 514 C VAL A 36 -6.407 -5.610 4.158 1.00 0.00 C ATOM 515 O VAL A 36 -7.370 -5.052 3.625 1.00 0.00 O ATOM 516 CB VAL A 36 -6.570 -5.729 6.673 1.00 0.00 C ATOM 517 CG1 VAL A 36 -8.068 -5.469 6.607 1.00 0.00 C ATOM 518 CG2 VAL A 36 -6.286 -7.223 6.752 1.00 0.00 C ATOM 0 H VAL A 36 -6.810 -3.249 5.704 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.779 -5.373 5.537 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.191 -5.259 7.581 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.556 -5.932 7.465 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.252 -4.395 6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.471 -5.894 5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.817 -7.650 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.623 -7.706 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.215 -7.384 6.875 1.00 0.00 H new ATOM 528 N PHE A 37 -5.745 -6.608 3.589 1.00 0.00 N ATOM 529 CA PHE A 37 -6.130 -7.150 2.297 1.00 0.00 C ATOM 530 C PHE A 37 -5.575 -8.553 2.101 1.00 0.00 C ATOM 531 O PHE A 37 -4.469 -8.876 2.544 1.00 0.00 O ATOM 532 CB PHE A 37 -5.660 -6.232 1.161 1.00 0.00 C ATOM 533 CG PHE A 37 -4.232 -5.771 1.282 1.00 0.00 C ATOM 534 CD1 PHE A 37 -3.188 -6.565 0.840 1.00 0.00 C ATOM 535 CD2 PHE A 37 -3.939 -4.531 1.829 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.881 -6.135 0.943 1.00 0.00 C ATOM 537 CE2 PHE A 37 -2.634 -4.095 1.933 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.602 -4.899 1.490 1.00 0.00 C ATOM 0 H PHE A 37 -4.932 -7.061 4.008 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.218 -7.207 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.780 -6.757 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.309 -5.357 1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.399 -7.533 0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.742 -3.899 2.178 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.076 -6.766 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.420 -3.126 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.579 -4.561 1.571 1.00 0.00 H new ATOM 547 N GLU A 38 -6.349 -9.378 1.425 1.00 0.00 N ATOM 548 CA GLU A 38 -5.939 -10.730 1.110 1.00 0.00 C ATOM 549 C GLU A 38 -5.533 -10.811 -0.354 1.00 0.00 C ATOM 550 O GLU A 38 -6.015 -10.036 -1.181 1.00 0.00 O ATOM 551 CB GLU A 38 -7.067 -11.711 1.414 1.00 0.00 C ATOM 552 CG GLU A 38 -7.379 -11.835 2.896 1.00 0.00 C ATOM 553 CD GLU A 38 -8.636 -12.636 3.167 1.00 0.00 C ATOM 554 OE1 GLU A 38 -9.342 -12.994 2.201 1.00 0.00 O ATOM 555 OE2 GLU A 38 -8.937 -12.890 4.352 1.00 0.00 O ATOM 0 H GLU A 38 -7.276 -9.131 1.080 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.083 -10.999 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.966 -11.393 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.799 -12.693 1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.537 -12.307 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.489 -10.839 3.324 1.00 0.00 H new ATOM 560 N LEU A 39 -4.583 -11.685 -0.650 1.00 0.00 N ATOM 561 CA LEU A 39 -4.055 -11.818 -2.000 1.00 0.00 C ATOM 562 C LEU A 39 -5.143 -12.270 -2.966 1.00 0.00 C ATOM 563 O LEU A 39 -5.799 -13.291 -2.749 1.00 0.00 O ATOM 564 CB LEU A 39 -2.884 -12.813 -2.030 1.00 0.00 C ATOM 565 CG LEU A 39 -1.550 -12.298 -1.464 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.657 -12.001 0.023 1.00 0.00 C ATOM 567 CD2 LEU A 39 -0.442 -13.307 -1.721 1.00 0.00 C ATOM 0 H LEU A 39 -4.160 -12.316 0.030 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.693 -10.839 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.174 -13.703 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.723 -13.123 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.308 -11.367 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.697 -11.639 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.420 -11.240 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.931 -12.911 0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.496 -12.929 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.691 -14.252 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.335 -13.465 -2.794 1.00 0.00 H new ATOM 578 N GLY A 40 -5.337 -11.492 -4.018 1.00 0.00 N ATOM 579 CA GLY A 40 -6.344 -11.802 -5.007 1.00 0.00 C ATOM 580 C GLY A 40 -7.752 -11.567 -4.502 1.00 0.00 C ATOM 581 O GLY A 40 -8.672 -12.317 -4.845 1.00 0.00 O ATOM 0 H GLY A 40 -4.807 -10.641 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.175 -11.193 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.241 -12.844 -5.311 1.00 0.00 H new ATOM 585 N VAL A 41 -7.938 -10.511 -3.718 1.00 0.00 N ATOM 586 CA VAL A 41 -9.259 -10.167 -3.209 1.00 0.00 C ATOM 587 C VAL A 41 -9.609 -8.724 -3.560 1.00 0.00 C ATOM 588 O VAL A 41 -8.786 -7.822 -3.397 1.00 0.00 O ATOM 589 CB VAL A 41 -9.351 -10.375 -1.678 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.666 -9.839 -1.132 1.00 0.00 C ATOM 591 CG2 VAL A 41 -9.201 -11.849 -1.335 1.00 0.00 C ATOM 0 H VAL A 41 -7.193 -9.880 -3.422 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.977 -10.835 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.537 -9.819 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.704 -9.998 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.740 -8.772 -1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.497 -10.362 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.268 -11.980 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.995 -12.418 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.233 -12.207 -1.685 1.00 0.00 H new ATOM 601 N ASP A 42 -10.836 -8.514 -4.027 1.00 0.00 N ATOM 602 CA ASP A 42 -11.313 -7.178 -4.363 1.00 0.00 C ATOM 603 C ASP A 42 -12.253 -6.683 -3.275 1.00 0.00 C ATOM 604 O ASP A 42 -12.969 -7.477 -2.658 1.00 0.00 O ATOM 605 CB ASP A 42 -12.011 -7.163 -5.732 1.00 0.00 C ATOM 606 CG ASP A 42 -13.359 -7.862 -5.738 1.00 0.00 C ATOM 607 OD1 ASP A 42 -14.353 -7.275 -5.259 1.00 0.00 O ATOM 608 OD2 ASP A 42 -13.432 -9.009 -6.229 1.00 0.00 O ATOM 0 H ASP A 42 -11.520 -9.255 -4.181 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.455 -6.509 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.146 -6.129 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.361 -7.639 -6.466 1.00 0.00 H new ATOM 612 N PHE A 43 -12.126 -5.412 -2.930 1.00 0.00 N ATOM 613 CA PHE A 43 -12.849 -4.857 -1.799 1.00 0.00 C ATOM 614 C PHE A 43 -12.874 -3.336 -1.866 1.00 0.00 C ATOM 615 O PHE A 43 -11.968 -2.716 -2.423 1.00 0.00 O ATOM 616 CB PHE A 43 -12.195 -5.318 -0.489 1.00 0.00 C ATOM 617 CG PHE A 43 -10.730 -4.986 -0.402 1.00 0.00 C ATOM 618 CD1 PHE A 43 -10.306 -3.772 0.119 1.00 0.00 C ATOM 619 CD2 PHE A 43 -9.778 -5.889 -0.848 1.00 0.00 C ATOM 620 CE1 PHE A 43 -8.961 -3.469 0.192 1.00 0.00 C ATOM 621 CE2 PHE A 43 -8.434 -5.592 -0.778 1.00 0.00 C ATOM 622 CZ PHE A 43 -8.024 -4.378 -0.259 1.00 0.00 C ATOM 0 H PHE A 43 -11.528 -4.745 -3.418 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.878 -5.216 -1.834 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -12.715 -4.856 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.322 -6.396 -0.388 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.035 -3.057 0.471 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.093 -6.838 -1.256 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.642 -2.522 0.601 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.703 -6.306 -1.128 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.972 -4.141 -0.206 1.00 0.00 H new ATOM 631 N ALA A 44 -13.874 -2.746 -1.238 1.00 0.00 N ATOM 632 CA ALA A 44 -13.970 -1.300 -1.137 1.00 0.00 C ATOM 633 C ALA A 44 -13.584 -0.861 0.268 1.00 0.00 C ATOM 634 O ALA A 44 -13.927 -1.530 1.249 1.00 0.00 O ATOM 635 CB ALA A 44 -15.374 -0.830 -1.476 1.00 0.00 C ATOM 0 H ALA A 44 -14.637 -3.250 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.283 -0.849 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -15.424 0.256 -1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.622 -1.129 -2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.085 -1.279 -0.783 1.00 0.00 H new ATOM 641 N TYR A 45 -12.807 0.203 0.365 1.00 0.00 N ATOM 642 CA TYR A 45 -12.310 0.654 1.651 1.00 0.00 C ATOM 643 C TYR A 45 -11.992 2.143 1.609 1.00 0.00 C ATOM 644 O TYR A 45 -11.482 2.649 0.608 1.00 0.00 O ATOM 645 CB TYR A 45 -11.059 -0.143 2.033 1.00 0.00 C ATOM 646 CG TYR A 45 -10.729 -0.111 3.508 1.00 0.00 C ATOM 647 CD1 TYR A 45 -11.693 -0.417 4.460 1.00 0.00 C ATOM 648 CD2 TYR A 45 -9.453 0.212 3.950 1.00 0.00 C ATOM 649 CE1 TYR A 45 -11.397 -0.399 5.809 1.00 0.00 C ATOM 650 CE2 TYR A 45 -9.149 0.228 5.298 1.00 0.00 C ATOM 651 CZ TYR A 45 -10.125 -0.077 6.222 1.00 0.00 C ATOM 652 OH TYR A 45 -9.825 -0.066 7.566 1.00 0.00 O ATOM 0 H TYR A 45 -12.508 0.769 -0.429 1.00 0.00 H new ATOM 0 HA TYR A 45 -13.082 0.489 2.402 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.195 -1.180 1.725 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.209 0.247 1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.692 -0.674 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.686 0.454 3.229 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.160 -0.636 6.536 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.151 0.478 5.626 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.885 0.180 7.689 1.00 0.00 H new ATOM 661 N SER A 46 -12.278 2.831 2.701 1.00 0.00 N ATOM 662 CA SER A 46 -11.998 4.251 2.802 1.00 0.00 C ATOM 663 C SER A 46 -10.751 4.473 3.641 1.00 0.00 C ATOM 664 O SER A 46 -10.607 3.908 4.728 1.00 0.00 O ATOM 665 CB SER A 46 -13.192 4.993 3.412 1.00 0.00 C ATOM 666 OG SER A 46 -12.873 6.350 3.675 1.00 0.00 O ATOM 0 H SER A 46 -12.706 2.426 3.533 1.00 0.00 H new ATOM 0 HA SER A 46 -11.826 4.647 1.801 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.042 4.942 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.495 4.502 4.337 1.00 0.00 H new ATOM 0 HG SER A 46 -13.653 6.800 4.062 1.00 0.00 H new ATOM 671 N LEU A 47 -9.818 5.236 3.096 1.00 0.00 N ATOM 672 CA LEU A 47 -8.549 5.480 3.754 1.00 0.00 C ATOM 673 C LEU A 47 -8.422 6.937 4.182 1.00 0.00 C ATOM 674 O LEU A 47 -8.616 7.851 3.372 1.00 0.00 O ATOM 675 CB LEU A 47 -7.394 5.100 2.827 1.00 0.00 C ATOM 676 CG LEU A 47 -7.298 3.613 2.478 1.00 0.00 C ATOM 677 CD1 LEU A 47 -6.175 3.370 1.483 1.00 0.00 C ATOM 678 CD2 LEU A 47 -7.080 2.786 3.733 1.00 0.00 C ATOM 0 H LEU A 47 -9.919 5.699 2.193 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.507 4.860 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.490 5.668 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.459 5.408 3.294 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.238 3.307 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.122 2.307 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.368 3.935 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.229 3.693 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.014 1.731 3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.154 3.097 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.915 2.936 4.417 1.00 0.00 H new ATOM 689 N ALA A 48 -8.140 7.133 5.472 1.00 0.00 N ATOM 690 CA ALA A 48 -7.994 8.461 6.069 1.00 0.00 C ATOM 691 C ALA A 48 -9.225 9.322 5.816 1.00 0.00 C ATOM 692 O ALA A 48 -9.124 10.545 5.709 1.00 0.00 O ATOM 693 CB ALA A 48 -6.738 9.149 5.546 1.00 0.00 C ATOM 0 H ALA A 48 -8.006 6.370 6.135 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.895 8.333 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.647 10.135 6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.863 8.550 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.805 9.254 4.463 1.00 0.00 H new ATOM 699 N ASP A 49 -10.382 8.664 5.729 1.00 0.00 N ATOM 700 CA ASP A 49 -11.660 9.332 5.484 1.00 0.00 C ATOM 701 C ASP A 49 -11.562 10.295 4.298 1.00 0.00 C ATOM 702 O ASP A 49 -11.931 11.470 4.394 1.00 0.00 O ATOM 703 CB ASP A 49 -12.136 10.073 6.737 1.00 0.00 C ATOM 704 CG ASP A 49 -13.603 10.456 6.665 1.00 0.00 C ATOM 705 OD1 ASP A 49 -14.281 10.064 5.691 1.00 0.00 O ATOM 706 OD2 ASP A 49 -14.090 11.134 7.595 1.00 0.00 O ATOM 0 H ASP A 49 -10.459 7.652 5.827 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.393 8.564 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.971 9.444 7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.535 10.972 6.873 1.00 0.00 H new ATOM 710 N GLY A 50 -11.029 9.804 3.189 1.00 0.00 N ATOM 711 CA GLY A 50 -10.869 10.643 2.020 1.00 0.00 C ATOM 712 C GLY A 50 -10.863 9.848 0.734 1.00 0.00 C ATOM 713 O GLY A 50 -11.652 10.116 -0.175 1.00 0.00 O ATOM 0 H GLY A 50 -10.706 8.843 3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.677 11.374 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.937 11.202 2.102 1.00 0.00 H new ATOM 717 N THR A 51 -9.997 8.852 0.654 1.00 0.00 N ATOM 718 CA THR A 51 -9.944 8.007 -0.522 1.00 0.00 C ATOM 719 C THR A 51 -10.839 6.791 -0.333 1.00 0.00 C ATOM 720 O THR A 51 -10.627 5.997 0.583 1.00 0.00 O ATOM 721 CB THR A 51 -8.503 7.546 -0.826 1.00 0.00 C ATOM 722 OG1 THR A 51 -8.000 6.763 0.260 1.00 0.00 O ATOM 723 CG2 THR A 51 -7.586 8.734 -1.063 1.00 0.00 C ATOM 0 H THR A 51 -9.327 8.612 1.384 1.00 0.00 H new ATOM 0 HA THR A 51 -10.298 8.596 -1.368 1.00 0.00 H new ATOM 0 HB THR A 51 -8.527 6.942 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.739 6.279 0.684 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.578 8.379 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.952 9.313 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.569 9.364 -0.174 1.00 0.00 H new ATOM 731 N GLU A 52 -11.787 6.605 -1.235 1.00 0.00 N ATOM 732 CA GLU A 52 -12.644 5.437 -1.196 1.00 0.00 C ATOM 733 C GLU A 52 -12.312 4.556 -2.379 1.00 0.00 C ATOM 734 O GLU A 52 -12.691 4.860 -3.514 1.00 0.00 O ATOM 735 CB GLU A 52 -14.125 5.829 -1.221 1.00 0.00 C ATOM 736 CG GLU A 52 -14.527 6.783 -0.109 1.00 0.00 C ATOM 737 CD GLU A 52 -16.030 6.929 0.011 1.00 0.00 C ATOM 738 OE1 GLU A 52 -16.674 7.350 -0.975 1.00 0.00 O ATOM 739 OE2 GLU A 52 -16.575 6.626 1.092 1.00 0.00 O ATOM 0 H GLU A 52 -11.981 7.248 -2.002 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.469 4.897 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.353 6.290 -2.182 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.731 4.926 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -14.123 6.424 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.083 7.761 -0.295 1.00 0.00 H new ATOM 744 N LEU A 53 -11.446 3.588 -2.141 1.00 0.00 N ATOM 745 CA LEU A 53 -10.931 2.758 -3.212 1.00 0.00 C ATOM 746 C LEU A 53 -11.574 1.380 -3.205 1.00 0.00 C ATOM 747 O LEU A 53 -11.440 0.624 -2.243 1.00 0.00 O ATOM 748 CB LEU A 53 -9.409 2.611 -3.105 1.00 0.00 C ATOM 749 CG LEU A 53 -8.573 3.748 -3.710 1.00 0.00 C ATOM 750 CD1 LEU A 53 -8.855 5.067 -3.013 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.095 3.411 -3.616 1.00 0.00 C ATOM 0 H LEU A 53 -11.085 3.358 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.179 3.254 -4.151 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.147 2.517 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.120 1.678 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.851 3.855 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.249 5.853 -3.463 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.911 5.317 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.608 4.979 -1.955 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.509 4.222 -4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.818 3.279 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.896 2.489 -4.163 1.00 0.00 H new ATOM 762 N THR A 54 -12.157 1.020 -4.331 1.00 0.00 N ATOM 763 CA THR A 54 -12.660 -0.325 -4.535 1.00 0.00 C ATOM 764 C THR A 54 -11.704 -1.063 -5.459 1.00 0.00 C ATOM 765 O THR A 54 -11.472 -0.609 -6.578 1.00 0.00 O ATOM 766 CB THR A 54 -14.053 -0.304 -5.186 1.00 0.00 C ATOM 767 OG1 THR A 54 -14.878 0.680 -4.545 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.721 -1.667 -5.095 1.00 0.00 C ATOM 0 H THR A 54 -12.295 1.645 -5.125 1.00 0.00 H new ATOM 0 HA THR A 54 -12.736 -0.820 -3.567 1.00 0.00 H new ATOM 0 HB THR A 54 -13.930 -0.050 -6.239 1.00 0.00 H new ATOM 0 HG1 THR A 54 -15.763 0.689 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.704 -1.622 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.108 -2.408 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.830 -1.949 -4.048 1.00 0.00 H new ATOM 776 N GLY A 55 -11.033 -2.093 -4.965 1.00 0.00 N ATOM 777 CA GLY A 55 -10.012 -2.713 -5.778 1.00 0.00 C ATOM 778 C GLY A 55 -9.533 -4.056 -5.276 1.00 0.00 C ATOM 779 O GLY A 55 -9.731 -4.405 -4.114 1.00 0.00 O ATOM 0 H GLY A 55 -11.172 -2.501 -4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.397 -2.835 -6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.158 -2.039 -5.841 1.00 0.00 H new ATOM 783 N THR A 56 -8.829 -4.766 -6.150 1.00 0.00 N ATOM 784 CA THR A 56 -8.204 -6.037 -5.814 1.00 0.00 C ATOM 785 C THR A 56 -6.690 -5.859 -5.691 1.00 0.00 C ATOM 786 O THR A 56 -6.107 -4.990 -6.350 1.00 0.00 O ATOM 787 CB THR A 56 -8.517 -7.113 -6.882 1.00 0.00 C ATOM 788 OG1 THR A 56 -7.967 -8.377 -6.496 1.00 0.00 O ATOM 789 CG2 THR A 56 -7.969 -6.714 -8.246 1.00 0.00 C ATOM 0 H THR A 56 -8.676 -4.474 -7.115 1.00 0.00 H new ATOM 0 HA THR A 56 -8.611 -6.371 -4.860 1.00 0.00 H new ATOM 0 HB THR A 56 -9.601 -7.198 -6.955 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.175 -9.047 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.205 -7.490 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.422 -5.773 -8.559 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.888 -6.593 -8.182 1.00 0.00 H new ATOM 797 N TRP A 57 -6.065 -6.647 -4.823 1.00 0.00 N ATOM 798 CA TRP A 57 -4.625 -6.556 -4.603 1.00 0.00 C ATOM 799 C TRP A 57 -3.957 -7.916 -4.801 1.00 0.00 C ATOM 800 O TRP A 57 -4.494 -8.947 -4.394 1.00 0.00 O ATOM 801 CB TRP A 57 -4.331 -6.039 -3.192 1.00 0.00 C ATOM 802 CG TRP A 57 -2.879 -5.739 -2.961 1.00 0.00 C ATOM 803 CD1 TRP A 57 -1.959 -6.556 -2.370 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.186 -4.530 -3.296 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.734 -5.937 -2.334 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.849 -4.690 -2.888 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.564 -3.329 -3.899 1.00 0.00 C ATOM 808 CZ2 TRP A 57 0.108 -3.698 -3.071 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.613 -2.343 -4.077 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.291 -2.533 -3.661 1.00 0.00 C ATOM 0 H TRP A 57 -6.533 -7.357 -4.259 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.218 -5.856 -5.333 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.914 -5.135 -3.015 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.662 -6.780 -2.465 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -2.165 -7.545 -1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.123 -6.341 -1.956 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.583 -3.173 -4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 1.131 -3.844 -2.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -1.894 -1.411 -4.545 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.429 -1.742 -3.810 1.00 0.00 H new ATOM 820 N THR A 58 -2.779 -7.909 -5.411 1.00 0.00 N ATOM 821 CA THR A 58 -2.019 -9.124 -5.658 1.00 0.00 C ATOM 822 C THR A 58 -0.553 -8.943 -5.263 1.00 0.00 C ATOM 823 O THR A 58 0.061 -7.922 -5.580 1.00 0.00 O ATOM 824 CB THR A 58 -2.082 -9.527 -7.149 1.00 0.00 C ATOM 825 OG1 THR A 58 -1.791 -8.394 -7.990 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.451 -10.092 -7.508 1.00 0.00 C ATOM 0 H THR A 58 -2.325 -7.060 -5.748 1.00 0.00 H new ATOM 0 HA THR A 58 -2.467 -9.910 -5.050 1.00 0.00 H new ATOM 0 HB THR A 58 -1.332 -10.301 -7.315 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.616 -7.608 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.466 -10.367 -8.563 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.651 -10.974 -6.900 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.216 -9.339 -7.318 1.00 0.00 H new ATOM 834 N MET A 59 0.045 -9.990 -4.712 1.00 0.00 N ATOM 835 CA MET A 59 1.479 -9.991 -4.474 1.00 0.00 C ATOM 836 C MET A 59 2.108 -11.206 -5.131 1.00 0.00 C ATOM 837 O MET A 59 1.980 -12.333 -4.647 1.00 0.00 O ATOM 838 CB MET A 59 1.821 -9.985 -2.985 1.00 0.00 C ATOM 839 CG MET A 59 3.325 -9.962 -2.728 1.00 0.00 C ATOM 840 SD MET A 59 3.739 -10.046 -0.977 1.00 0.00 S ATOM 841 CE MET A 59 5.524 -9.910 -1.045 1.00 0.00 C ATOM 0 H MET A 59 -0.436 -10.842 -4.424 1.00 0.00 H new ATOM 0 HA MET A 59 1.880 -9.075 -4.909 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.362 -9.115 -2.514 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.389 -10.868 -2.513 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.790 -10.801 -3.247 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.747 -9.051 -3.153 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.974 -10.775 -0.557 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.847 -9.872 -2.085 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.839 -9.000 -0.534 1.00 0.00 H new ATOM 849 N GLU A 60 2.797 -10.967 -6.226 1.00 0.00 N ATOM 850 CA GLU A 60 3.460 -12.030 -6.949 1.00 0.00 C ATOM 851 C GLU A 60 4.954 -11.983 -6.670 1.00 0.00 C ATOM 852 O GLU A 60 5.639 -11.042 -7.069 1.00 0.00 O ATOM 853 CB GLU A 60 3.177 -11.888 -8.443 1.00 0.00 C ATOM 854 CG GLU A 60 3.728 -13.020 -9.287 1.00 0.00 C ATOM 855 CD GLU A 60 3.235 -12.974 -10.717 1.00 0.00 C ATOM 856 OE1 GLU A 60 2.406 -12.094 -11.042 1.00 0.00 O ATOM 857 OE2 GLU A 60 3.662 -13.829 -11.523 1.00 0.00 O ATOM 0 H GLU A 60 2.913 -10.040 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 60 3.079 -12.996 -6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.099 -11.828 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.601 -10.947 -8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.817 -12.976 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.445 -13.973 -8.840 1.00 0.00 H new ATOM 862 N GLY A 61 5.434 -12.956 -5.906 1.00 0.00 N ATOM 863 CA GLY A 61 6.823 -12.966 -5.500 1.00 0.00 C ATOM 864 C GLY A 61 7.150 -11.816 -4.571 1.00 0.00 C ATOM 865 O GLY A 61 6.707 -11.788 -3.424 1.00 0.00 O ATOM 0 H GLY A 61 4.882 -13.741 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.049 -13.909 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.459 -12.911 -6.383 1.00 0.00 H new ATOM 869 N ASN A 62 7.833 -10.824 -5.110 1.00 0.00 N ATOM 870 CA ASN A 62 8.137 -9.602 -4.382 1.00 0.00 C ATOM 871 C ASN A 62 7.628 -8.404 -5.170 1.00 0.00 C ATOM 872 O ASN A 62 8.255 -7.345 -5.204 1.00 0.00 O ATOM 873 CB ASN A 62 9.646 -9.476 -4.114 1.00 0.00 C ATOM 874 CG ASN A 62 10.502 -9.610 -5.364 1.00 0.00 C ATOM 875 OD1 ASN A 62 10.386 -8.832 -6.311 1.00 0.00 O ATOM 876 ND2 ASN A 62 11.379 -10.599 -5.370 1.00 0.00 N ATOM 0 H ASN A 62 8.193 -10.840 -6.064 1.00 0.00 H new ATOM 0 HA ASN A 62 7.635 -9.635 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.844 -8.510 -3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.944 -10.241 -3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.987 -10.736 -6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.448 -11.225 -4.567 1.00 0.00 H new ATOM 882 N LYS A 63 6.444 -8.563 -5.740 1.00 0.00 N ATOM 883 CA LYS A 63 5.796 -7.494 -6.471 1.00 0.00 C ATOM 884 C LYS A 63 4.416 -7.247 -5.907 1.00 0.00 C ATOM 885 O LYS A 63 3.621 -8.170 -5.732 1.00 0.00 O ATOM 886 CB LYS A 63 5.689 -7.802 -7.968 1.00 0.00 C ATOM 887 CG LYS A 63 6.957 -7.501 -8.758 1.00 0.00 C ATOM 888 CD LYS A 63 7.940 -8.661 -8.738 1.00 0.00 C ATOM 889 CE LYS A 63 7.398 -9.855 -9.505 1.00 0.00 C ATOM 890 NZ LYS A 63 8.406 -10.938 -9.639 1.00 0.00 N ATOM 0 H LYS A 63 5.911 -9.432 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 63 6.412 -6.602 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.437 -8.855 -8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.866 -7.224 -8.389 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.693 -7.270 -9.790 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.437 -6.614 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.888 -8.345 -9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.144 -8.950 -7.707 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.516 -10.243 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.078 -9.534 -10.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.994 -11.732 -10.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.238 -10.577 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.693 -11.264 -8.694 1.00 0.00 H new ATOM 900 N LEU A 64 4.168 -6.001 -5.605 1.00 0.00 N ATOM 901 CA LEU A 64 2.918 -5.563 -5.045 1.00 0.00 C ATOM 902 C LEU A 64 2.154 -4.779 -6.095 1.00 0.00 C ATOM 903 O LEU A 64 2.718 -3.912 -6.758 1.00 0.00 O ATOM 904 CB LEU A 64 3.219 -4.706 -3.822 1.00 0.00 C ATOM 905 CG LEU A 64 3.972 -5.449 -2.718 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.554 -4.462 -1.718 1.00 0.00 C ATOM 907 CD2 LEU A 64 3.047 -6.430 -2.014 1.00 0.00 C ATOM 0 H LEU A 64 4.842 -5.248 -5.744 1.00 0.00 H new ATOM 0 HA LEU A 64 2.303 -6.410 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.807 -3.842 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.281 -4.326 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 64 4.790 -6.008 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.087 -5.006 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.244 -3.791 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.748 -3.881 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.598 -6.951 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.211 -5.888 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.668 -7.155 -2.735 1.00 0.00 H new ATOM 918 N VAL A 65 0.959 -5.236 -6.400 1.00 0.00 N ATOM 919 CA VAL A 65 0.229 -4.716 -7.543 1.00 0.00 C ATOM 920 C VAL A 65 -1.252 -5.023 -7.411 1.00 0.00 C ATOM 921 O VAL A 65 -1.631 -5.979 -6.750 1.00 0.00 O ATOM 922 CB VAL A 65 0.789 -5.326 -8.851 1.00 0.00 C ATOM 923 CG1 VAL A 65 0.855 -6.836 -8.760 1.00 0.00 C ATOM 924 CG2 VAL A 65 -0.003 -4.887 -10.077 1.00 0.00 C ATOM 0 H VAL A 65 0.471 -5.963 -5.877 1.00 0.00 H new ATOM 0 HA VAL A 65 0.355 -3.634 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 65 1.803 -4.945 -8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.252 -7.240 -9.692 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.506 -7.123 -7.934 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.145 -7.234 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.428 -5.340 -10.970 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.040 -5.205 -9.973 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.037 -3.801 -10.166 1.00 0.00 H new ATOM 934 N GLY A 66 -2.083 -4.195 -8.012 1.00 0.00 N ATOM 935 CA GLY A 66 -3.503 -4.425 -7.976 1.00 0.00 C ATOM 936 C GLY A 66 -4.239 -3.447 -8.854 1.00 0.00 C ATOM 937 O GLY A 66 -3.676 -2.927 -9.816 1.00 0.00 O ATOM 0 H GLY A 66 -1.796 -3.363 -8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.717 -5.443 -8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.862 -4.337 -6.950 1.00 0.00 H new ATOM 941 N LYS A 67 -5.461 -3.129 -8.478 1.00 0.00 N ATOM 942 CA LYS A 67 -6.248 -2.144 -9.195 1.00 0.00 C ATOM 943 C LYS A 67 -7.382 -1.661 -8.314 1.00 0.00 C ATOM 944 O LYS A 67 -8.339 -2.390 -8.072 1.00 0.00 O ATOM 945 CB LYS A 67 -6.813 -2.733 -10.491 1.00 0.00 C ATOM 946 CG LYS A 67 -7.581 -1.725 -11.334 1.00 0.00 C ATOM 947 CD LYS A 67 -8.209 -2.356 -12.573 1.00 0.00 C ATOM 948 CE LYS A 67 -7.170 -2.761 -13.613 1.00 0.00 C ATOM 949 NZ LYS A 67 -6.389 -3.959 -13.204 1.00 0.00 N ATOM 0 H LYS A 67 -5.934 -3.541 -7.674 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.601 -1.306 -9.453 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.993 -3.140 -11.083 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.472 -3.566 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.363 -1.269 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.908 -0.924 -11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.784 -3.234 -12.278 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.910 -1.651 -13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.669 -2.963 -14.561 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.488 -1.928 -13.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.299 -4.607 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.442 -3.665 -12.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.878 -4.443 -12.424 1.00 0.00 H new ATOM 959 N PHE A 68 -7.259 -0.442 -7.828 1.00 0.00 N ATOM 960 CA PHE A 68 -8.274 0.151 -6.976 1.00 0.00 C ATOM 961 C PHE A 68 -8.852 1.372 -7.655 1.00 0.00 C ATOM 962 O PHE A 68 -8.189 1.997 -8.482 1.00 0.00 O ATOM 963 CB PHE A 68 -7.693 0.545 -5.614 1.00 0.00 C ATOM 964 CG PHE A 68 -7.288 -0.617 -4.751 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.294 -1.492 -5.157 1.00 0.00 C ATOM 966 CD2 PHE A 68 -7.907 -0.831 -3.532 1.00 0.00 C ATOM 967 CE1 PHE A 68 -5.928 -2.560 -4.364 1.00 0.00 C ATOM 968 CE2 PHE A 68 -7.544 -1.898 -2.734 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.553 -2.763 -3.150 1.00 0.00 C ATOM 0 H PHE A 68 -6.459 0.163 -8.010 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.058 -0.588 -6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.824 1.183 -5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.431 1.141 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.800 -1.337 -6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.683 -0.156 -3.201 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.153 -3.237 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.035 -2.055 -1.785 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.267 -3.597 -2.527 1.00 0.00 H new ATOM 978 N LYS A 69 -10.106 1.671 -7.375 1.00 0.00 N ATOM 979 CA LYS A 69 -10.744 2.802 -8.006 1.00 0.00 C ATOM 980 C LYS A 69 -11.249 3.801 -6.973 1.00 0.00 C ATOM 981 O LYS A 69 -11.940 3.443 -6.023 1.00 0.00 O ATOM 982 CB LYS A 69 -11.869 2.344 -8.937 1.00 0.00 C ATOM 983 CG LYS A 69 -13.089 1.777 -8.244 1.00 0.00 C ATOM 984 CD LYS A 69 -14.156 1.389 -9.257 1.00 0.00 C ATOM 985 CE LYS A 69 -13.589 0.504 -10.362 1.00 0.00 C ATOM 986 NZ LYS A 69 -13.225 -0.852 -9.868 1.00 0.00 N ATOM 0 H LYS A 69 -10.694 1.152 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.996 3.313 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.180 3.191 -9.549 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.472 1.589 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.806 0.904 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.492 2.513 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.966 0.864 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.586 2.289 -9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.322 0.412 -11.163 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.708 0.981 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.844 -1.417 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.506 -0.768 -9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.070 -1.320 -9.483 1.00 0.00 H new ATOM 996 N ARG A 70 -10.831 5.044 -7.148 1.00 0.00 N ATOM 997 CA ARG A 70 -11.189 6.134 -6.255 1.00 0.00 C ATOM 998 C ARG A 70 -12.409 6.859 -6.807 1.00 0.00 C ATOM 999 O ARG A 70 -12.319 7.526 -7.838 1.00 0.00 O ATOM 1000 CB ARG A 70 -10.004 7.093 -6.165 1.00 0.00 C ATOM 1001 CG ARG A 70 -9.922 7.903 -4.875 1.00 0.00 C ATOM 1002 CD ARG A 70 -10.987 8.982 -4.814 1.00 0.00 C ATOM 1003 NE ARG A 70 -10.930 9.768 -3.581 1.00 0.00 N ATOM 1004 CZ ARG A 70 -9.986 10.671 -3.295 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -8.971 10.884 -4.124 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -10.062 11.371 -2.174 1.00 0.00 N ATOM 0 H ARG A 70 -10.228 5.327 -7.921 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.428 5.751 -5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.084 6.519 -6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.051 7.784 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.032 7.236 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.936 8.361 -4.797 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.872 9.648 -5.669 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.971 8.520 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.664 9.616 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.903 10.355 -4.994 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.259 11.576 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.839 11.221 -1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.343 12.060 -1.953 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.551 6.654 -6.176 1.00 0.00 N ATOM 1018 CA VAL A 71 -14.815 7.185 -6.686 1.00 0.00 C ATOM 1019 C VAL A 71 -14.845 8.720 -6.715 1.00 0.00 C ATOM 1020 O VAL A 71 -15.357 9.310 -7.665 1.00 0.00 O ATOM 1021 CB VAL A 71 -16.017 6.630 -5.882 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -15.862 6.911 -4.396 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -17.334 7.190 -6.403 1.00 0.00 C ATOM 0 H VAL A 71 -13.636 6.124 -5.309 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.898 6.846 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 71 -16.033 5.549 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -16.721 6.510 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.951 6.438 -4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -15.803 7.987 -4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -18.159 6.782 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.328 8.276 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -17.459 6.913 -7.450 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.306 9.363 -5.681 1.00 0.00 N ATOM 1034 CA ASP A 72 -14.310 10.829 -5.607 1.00 0.00 C ATOM 1035 C ASP A 72 -13.523 11.448 -6.762 1.00 0.00 C ATOM 1036 O ASP A 72 -13.937 12.453 -7.340 1.00 0.00 O ATOM 1037 CB ASP A 72 -13.733 11.309 -4.276 1.00 0.00 C ATOM 1038 CG ASP A 72 -13.732 12.821 -4.159 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -14.820 13.431 -4.232 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -12.641 13.409 -3.996 1.00 0.00 O ATOM 0 H ASP A 72 -13.864 8.900 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 72 -15.348 11.153 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.313 10.884 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.713 10.938 -4.170 1.00 0.00 H new ATOM 1044 N ASN A 73 -12.423 10.806 -7.135 1.00 0.00 N ATOM 1045 CA ASN A 73 -11.616 11.255 -8.273 1.00 0.00 C ATOM 1046 C ASN A 73 -12.360 10.986 -9.568 1.00 0.00 C ATOM 1047 O ASN A 73 -12.490 11.853 -10.431 1.00 0.00 O ATOM 1048 CB ASN A 73 -10.272 10.521 -8.307 1.00 0.00 C ATOM 1049 CG ASN A 73 -9.261 11.034 -7.299 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -8.272 10.360 -7.014 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -9.483 12.219 -6.756 1.00 0.00 N ATOM 0 H ASN A 73 -12.066 9.972 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 73 -11.434 12.324 -8.163 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.445 9.460 -8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.848 10.608 -9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.824 12.601 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.314 12.751 -7.015 1.00 0.00 H new ATOM 1057 N GLY A 74 -12.854 9.771 -9.670 1.00 0.00 N ATOM 1058 CA GLY A 74 -13.606 9.340 -10.821 1.00 0.00 C ATOM 1059 C GLY A 74 -13.866 7.862 -10.718 1.00 0.00 C ATOM 1060 O GLY A 74 -14.978 7.450 -10.389 1.00 0.00 O ATOM 0 H GLY A 74 -12.743 9.054 -8.953 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -14.549 9.884 -10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.054 9.561 -11.734 1.00 0.00 H new ATOM 1064 N LYS A 75 -12.778 7.093 -10.759 1.00 0.00 N ATOM 1065 CA LYS A 75 -12.824 5.664 -10.475 1.00 0.00 C ATOM 1066 C LYS A 75 -11.462 5.008 -10.687 1.00 0.00 C ATOM 1067 O LYS A 75 -11.361 3.997 -11.383 1.00 0.00 O ATOM 1068 CB LYS A 75 -13.864 4.951 -11.337 1.00 0.00 C ATOM 1069 CG LYS A 75 -13.693 5.186 -12.832 1.00 0.00 C ATOM 1070 CD LYS A 75 -14.623 4.311 -13.656 1.00 0.00 C ATOM 1071 CE LYS A 75 -16.085 4.623 -13.379 1.00 0.00 C ATOM 1072 NZ LYS A 75 -16.989 3.805 -14.227 1.00 0.00 N ATOM 0 H LYS A 75 -11.848 7.442 -10.989 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.107 5.566 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.813 3.880 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.858 5.283 -11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.886 6.235 -13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.660 4.984 -13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.415 4.457 -14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.427 3.262 -13.434 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.304 4.437 -12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.273 5.681 -13.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.978 4.044 -14.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.796 4.001 -15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.827 2.796 -14.034 1.00 0.00 H new ATOM 1082 N GLU A 76 -10.427 5.536 -10.041 1.00 0.00 N ATOM 1083 CA GLU A 76 -9.100 4.919 -10.124 1.00 0.00 C ATOM 1084 C GLU A 76 -8.110 5.477 -9.104 1.00 0.00 C ATOM 1085 O GLU A 76 -8.030 6.682 -8.891 1.00 0.00 O ATOM 1086 CB GLU A 76 -8.524 5.065 -11.530 1.00 0.00 C ATOM 1087 CG GLU A 76 -8.390 3.740 -12.261 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.011 3.917 -13.716 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -7.014 4.618 -14.000 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -8.706 3.345 -14.583 1.00 0.00 O ATOM 0 H GLU A 76 -10.475 6.375 -9.463 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.244 3.864 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.163 5.730 -12.111 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.544 5.539 -11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.636 3.129 -11.764 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.333 3.197 -12.198 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.320 4.574 -8.540 1.00 0.00 N ATOM 1096 CA LEU A 77 -6.150 4.902 -7.730 1.00 0.00 C ATOM 1097 C LEU A 77 -5.378 3.603 -7.508 1.00 0.00 C ATOM 1098 O LEU A 77 -5.869 2.698 -6.838 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.551 5.549 -6.398 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.462 6.383 -5.703 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -6.072 7.220 -4.588 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -4.356 5.497 -5.145 1.00 0.00 C ATOM 0 H LEU A 77 -7.476 3.570 -8.634 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.526 5.634 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.416 6.189 -6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.870 4.762 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.021 7.045 -6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.291 7.806 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.823 7.891 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.540 6.563 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.602 6.118 -4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.778 4.803 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.895 4.935 -5.957 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.281 3.430 -8.226 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.604 2.140 -8.251 1.00 0.00 C ATOM 1115 C ILE A 78 -2.180 2.235 -7.713 1.00 0.00 C ATOM 1116 O ILE A 78 -1.383 3.044 -8.177 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.566 1.572 -9.689 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.982 1.515 -10.279 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.927 0.190 -9.703 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -5.026 1.063 -11.724 1.00 0.00 C ATOM 0 H ILE A 78 -3.843 4.155 -8.794 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.173 1.471 -7.606 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.960 2.236 -10.305 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.589 0.838 -9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.437 2.503 -10.203 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.910 -0.192 -10.724 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.908 0.257 -9.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.506 -0.485 -9.072 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.060 1.048 -12.069 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.448 1.753 -12.339 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.602 0.062 -11.805 1.00 0.00 H new ATOM 1131 N ALA A 79 -1.838 1.334 -6.805 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.481 1.243 -6.293 1.00 0.00 C ATOM 1133 C ALA A 79 0.212 0.010 -6.867 1.00 0.00 C ATOM 1134 O ALA A 79 -0.346 -1.088 -6.841 1.00 0.00 O ATOM 1135 CB ALA A 79 -0.492 1.190 -4.773 1.00 0.00 C ATOM 0 H ALA A 79 -2.485 0.653 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 79 0.073 2.130 -6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.531 1.122 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.960 2.093 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.055 0.317 -4.443 1.00 0.00 H new ATOM 1141 N VAL A 80 1.409 0.198 -7.409 1.00 0.00 N ATOM 1142 CA VAL A 80 2.177 -0.899 -8.000 1.00 0.00 C ATOM 1143 C VAL A 80 3.654 -0.731 -7.656 1.00 0.00 C ATOM 1144 O VAL A 80 4.211 0.355 -7.839 1.00 0.00 O ATOM 1145 CB VAL A 80 2.032 -0.946 -9.544 1.00 0.00 C ATOM 1146 CG1 VAL A 80 2.829 -2.104 -10.126 1.00 0.00 C ATOM 1147 CG2 VAL A 80 0.572 -1.050 -9.961 1.00 0.00 C ATOM 0 H VAL A 80 1.874 1.105 -7.453 1.00 0.00 H new ATOM 0 HA VAL A 80 1.784 -1.829 -7.589 1.00 0.00 H new ATOM 0 HB VAL A 80 2.432 -0.012 -9.940 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.713 -2.117 -11.210 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.883 -1.983 -9.876 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.463 -3.043 -9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.506 -1.081 -11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.139 -1.960 -9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.025 -0.184 -9.588 1.00 0.00 H new ATOM 1157 N ARG A 81 4.283 -1.781 -7.133 1.00 0.00 N ATOM 1158 CA ARG A 81 5.686 -1.695 -6.746 1.00 0.00 C ATOM 1159 C ARG A 81 6.294 -3.065 -6.480 1.00 0.00 C ATOM 1160 O ARG A 81 5.655 -3.923 -5.892 1.00 0.00 O ATOM 1161 CB ARG A 81 5.850 -0.842 -5.492 1.00 0.00 C ATOM 1162 CG ARG A 81 7.282 -0.395 -5.286 1.00 0.00 C ATOM 1163 CD ARG A 81 7.718 0.539 -6.397 1.00 0.00 C ATOM 1164 NE ARG A 81 9.167 0.529 -6.589 1.00 0.00 N ATOM 1165 CZ ARG A 81 9.780 1.083 -7.636 1.00 0.00 C ATOM 1166 NH1 ARG A 81 9.073 1.532 -8.665 1.00 0.00 N ATOM 1167 NH2 ARG A 81 11.104 1.122 -7.681 1.00 0.00 N ATOM 0 H ARG A 81 3.849 -2.689 -6.970 1.00 0.00 H new ATOM 0 HA ARG A 81 6.209 -1.236 -7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.205 0.034 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.520 -1.411 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.376 0.108 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.939 -1.264 -5.257 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.228 0.249 -7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.391 1.553 -6.167 1.00 0.00 H new ATOM 0 HE ARG A 81 9.742 0.072 -5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.056 1.454 -8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.546 1.955 -9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.652 0.729 -6.916 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.575 1.545 -8.481 1.00 0.00 H new ATOM 1178 N GLU A 82 7.581 -3.192 -6.747 1.00 0.00 N ATOM 1179 CA GLU A 82 8.323 -4.383 -6.374 1.00 0.00 C ATOM 1180 C GLU A 82 9.218 -4.075 -5.176 1.00 0.00 C ATOM 1181 O GLU A 82 9.446 -2.907 -4.851 1.00 0.00 O ATOM 1182 CB GLU A 82 9.172 -4.873 -7.549 1.00 0.00 C ATOM 1183 CG GLU A 82 10.242 -3.880 -7.978 1.00 0.00 C ATOM 1184 CD GLU A 82 11.023 -4.345 -9.184 1.00 0.00 C ATOM 1185 OE1 GLU A 82 10.416 -4.521 -10.260 1.00 0.00 O ATOM 1186 OE2 GLU A 82 12.248 -4.535 -9.068 1.00 0.00 O ATOM 0 H GLU A 82 8.137 -2.481 -7.223 1.00 0.00 H new ATOM 0 HA GLU A 82 7.617 -5.169 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.649 -5.814 -7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.520 -5.081 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.773 -2.922 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.929 -3.712 -7.149 1.00 0.00 H new ATOM 1191 N ILE A 83 9.739 -5.112 -4.541 1.00 0.00 N ATOM 1192 CA ILE A 83 10.628 -4.939 -3.401 1.00 0.00 C ATOM 1193 C ILE A 83 12.075 -5.146 -3.850 1.00 0.00 C ATOM 1194 O ILE A 83 12.411 -6.195 -4.404 1.00 0.00 O ATOM 1195 CB ILE A 83 10.334 -5.970 -2.285 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.831 -6.082 -2.012 1.00 0.00 C ATOM 1197 CG2 ILE A 83 11.078 -5.603 -1.011 1.00 0.00 C ATOM 1198 CD1 ILE A 83 8.161 -4.763 -1.716 1.00 0.00 C ATOM 0 H ILE A 83 9.562 -6.084 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 83 10.469 -3.933 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 83 10.686 -6.943 -2.629 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.348 -6.537 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.674 -6.755 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.859 -6.339 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.150 -5.590 -1.207 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.759 -4.617 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.099 -4.927 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.615 -4.314 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 83 8.284 -4.093 -2.567 1.00 0.00 H new ATOM 1209 N SER A 84 12.924 -4.157 -3.631 1.00 0.00 N ATOM 1210 CA SER A 84 14.329 -4.270 -3.998 1.00 0.00 C ATOM 1211 C SER A 84 15.193 -4.413 -2.747 1.00 0.00 C ATOM 1212 O SER A 84 15.088 -3.602 -1.827 1.00 0.00 O ATOM 1213 CB SER A 84 14.745 -3.047 -4.814 1.00 0.00 C ATOM 1214 OG SER A 84 14.180 -1.861 -4.276 1.00 0.00 O ATOM 0 H SER A 84 12.668 -3.268 -3.202 1.00 0.00 H new ATOM 0 HA SER A 84 14.473 -5.161 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.832 -2.964 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.425 -3.170 -5.849 1.00 0.00 H new ATOM 0 HG SER A 84 14.882 -1.330 -3.845 1.00 0.00 H new ATOM 1219 N GLY A 85 15.969 -5.494 -2.674 1.00 0.00 N ATOM 1220 CA GLY A 85 16.744 -5.771 -1.473 1.00 0.00 C ATOM 1221 C GLY A 85 15.850 -5.845 -0.255 1.00 0.00 C ATOM 1222 O GLY A 85 14.783 -6.466 -0.310 1.00 0.00 O ATOM 0 H GLY A 85 16.075 -6.180 -3.421 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.281 -6.712 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.493 -4.992 -1.332 1.00 0.00 H new ATOM 1226 N ASN A 86 16.127 -5.002 0.726 1.00 0.00 N ATOM 1227 CA ASN A 86 15.153 -4.772 1.771 1.00 0.00 C ATOM 1228 C ASN A 86 14.848 -3.280 1.851 1.00 0.00 C ATOM 1229 O ASN A 86 15.541 -2.502 2.505 1.00 0.00 O ATOM 1230 CB ASN A 86 15.634 -5.329 3.126 1.00 0.00 C ATOM 1231 CG ASN A 86 16.901 -4.675 3.656 1.00 0.00 C ATOM 1232 OD1 ASN A 86 17.920 -4.605 2.970 1.00 0.00 O ATOM 1233 ND2 ASN A 86 16.849 -4.205 4.893 1.00 0.00 N ATOM 0 H ASN A 86 16.998 -4.478 0.818 1.00 0.00 H new ATOM 0 HA ASN A 86 14.236 -5.307 1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.839 -5.202 3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 86 15.807 -6.400 3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.672 -3.767 5.307 1.00 0.00 H new ATOM 0 HD22 ASN A 86 15.986 -4.281 5.432 1.00 0.00 H new ATOM 1239 N GLU A 87 13.768 -2.907 1.193 1.00 0.00 N ATOM 1240 CA GLU A 87 13.286 -1.539 1.163 1.00 0.00 C ATOM 1241 C GLU A 87 11.905 -1.552 0.535 1.00 0.00 C ATOM 1242 O GLU A 87 11.533 -2.537 -0.103 1.00 0.00 O ATOM 1243 CB GLU A 87 14.232 -0.616 0.377 1.00 0.00 C ATOM 1244 CG GLU A 87 14.126 -0.756 -1.133 1.00 0.00 C ATOM 1245 CD GLU A 87 15.143 0.081 -1.882 1.00 0.00 C ATOM 1246 OE1 GLU A 87 15.171 1.314 -1.692 1.00 0.00 O ATOM 1247 OE2 GLU A 87 15.915 -0.494 -2.681 1.00 0.00 O ATOM 0 H GLU A 87 13.192 -3.555 0.656 1.00 0.00 H new ATOM 0 HA GLU A 87 13.244 -1.145 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.023 0.418 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.258 -0.824 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.256 -1.804 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.124 -0.467 -1.449 1.00 0.00 H new ATOM 1252 N LEU A 88 11.164 -0.472 0.652 1.00 0.00 N ATOM 1253 CA LEU A 88 9.868 -0.415 0.011 1.00 0.00 C ATOM 1254 C LEU A 88 9.626 0.940 -0.629 1.00 0.00 C ATOM 1255 O LEU A 88 9.616 1.966 0.039 1.00 0.00 O ATOM 1256 CB LEU A 88 8.752 -0.721 1.004 1.00 0.00 C ATOM 1257 CG LEU A 88 7.349 -0.692 0.398 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.141 -1.869 -0.533 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.292 -0.676 1.490 1.00 0.00 C ATOM 0 H LEU A 88 11.429 0.363 1.174 1.00 0.00 H new ATOM 0 HA LEU A 88 9.863 -1.174 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.928 -1.705 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.798 0.001 1.819 1.00 0.00 H new ATOM 0 HG LEU A 88 7.250 0.223 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.136 -1.828 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.873 -1.829 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.264 -2.799 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.301 -0.655 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.391 -1.570 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.425 0.209 2.112 1.00 0.00 H new ATOM 1270 N ILE A 89 9.275 0.908 -1.894 1.00 0.00 N ATOM 1271 CA ILE A 89 8.843 2.095 -2.595 1.00 0.00 C ATOM 1272 C ILE A 89 7.333 2.016 -2.756 1.00 0.00 C ATOM 1273 O ILE A 89 6.772 0.923 -2.737 1.00 0.00 O ATOM 1274 CB ILE A 89 9.518 2.206 -3.981 1.00 0.00 C ATOM 1275 CG1 ILE A 89 11.035 2.026 -3.860 1.00 0.00 C ATOM 1276 CG2 ILE A 89 9.192 3.537 -4.649 1.00 0.00 C ATOM 1277 CD1 ILE A 89 11.711 3.073 -3.003 1.00 0.00 C ATOM 0 H ILE A 89 9.281 0.062 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 89 9.127 2.979 -2.024 1.00 0.00 H new ATOM 0 HB ILE A 89 9.122 1.408 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.242 1.040 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.474 2.048 -4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.681 3.585 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.113 3.624 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.548 4.355 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.783 2.877 -2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 89 11.537 4.061 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.301 3.037 -1.994 1.00 0.00 H new ATOM 1288 N GLN A 90 6.664 3.144 -2.800 1.00 0.00 N ATOM 1289 CA GLN A 90 5.213 3.135 -2.879 1.00 0.00 C ATOM 1290 C GLN A 90 4.736 4.063 -3.986 1.00 0.00 C ATOM 1291 O GLN A 90 4.936 5.275 -3.919 1.00 0.00 O ATOM 1292 CB GLN A 90 4.624 3.552 -1.534 1.00 0.00 C ATOM 1293 CG GLN A 90 3.117 3.369 -1.428 1.00 0.00 C ATOM 1294 CD GLN A 90 2.683 1.930 -1.640 1.00 0.00 C ATOM 1295 OE1 GLN A 90 2.735 1.409 -2.756 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.265 1.272 -0.570 1.00 0.00 N ATOM 0 H GLN A 90 7.089 4.071 -2.783 1.00 0.00 H new ATOM 0 HA GLN A 90 4.874 2.126 -3.115 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.105 2.974 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.865 4.600 -1.354 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.783 3.703 -0.446 1.00 0.00 H new ATOM 0 HG3 GLN A 90 2.626 4.004 -2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.236 1.738 0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.971 0.299 -0.652 1.00 0.00 H new ATOM 1303 N THR A 91 4.162 3.475 -5.026 1.00 0.00 N ATOM 1304 CA THR A 91 3.728 4.236 -6.185 1.00 0.00 C ATOM 1305 C THR A 91 2.218 4.404 -6.202 1.00 0.00 C ATOM 1306 O THR A 91 1.481 3.426 -6.290 1.00 0.00 O ATOM 1307 CB THR A 91 4.145 3.546 -7.495 1.00 0.00 C ATOM 1308 OG1 THR A 91 5.357 2.805 -7.295 1.00 0.00 O ATOM 1309 CG2 THR A 91 4.353 4.567 -8.602 1.00 0.00 C ATOM 0 H THR A 91 3.987 2.472 -5.089 1.00 0.00 H new ATOM 0 HA THR A 91 4.208 5.212 -6.111 1.00 0.00 H new ATOM 0 HB THR A 91 3.345 2.867 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.185 1.851 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.647 4.055 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.425 5.112 -8.773 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.136 5.266 -8.309 1.00 0.00 H new ATOM 1317 N TYR A 92 1.779 5.643 -6.300 1.00 0.00 N ATOM 1318 CA TYR A 92 0.377 5.937 -6.500 1.00 0.00 C ATOM 1319 C TYR A 92 0.153 6.343 -7.948 1.00 0.00 C ATOM 1320 O TYR A 92 0.611 7.401 -8.389 1.00 0.00 O ATOM 1321 CB TYR A 92 -0.096 7.049 -5.558 1.00 0.00 C ATOM 1322 CG TYR A 92 -0.068 6.674 -4.090 1.00 0.00 C ATOM 1323 CD1 TYR A 92 1.134 6.501 -3.414 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -1.248 6.488 -3.384 1.00 0.00 C ATOM 1325 CE1 TYR A 92 1.158 6.153 -2.077 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -1.234 6.140 -2.046 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.028 5.973 -1.398 1.00 0.00 C ATOM 1328 OH TYR A 92 -0.009 5.624 -0.064 1.00 0.00 O ATOM 0 H TYR A 92 2.379 6.466 -6.244 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.204 5.043 -6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.530 7.928 -5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.113 7.332 -5.830 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.065 6.641 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.194 6.617 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 92 2.101 6.023 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.162 6.000 -1.511 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.928 5.537 0.265 1.00 0.00 H new ATOM 1337 N THR A 93 -0.462 5.457 -8.704 1.00 0.00 N ATOM 1338 CA THR A 93 -0.701 5.681 -10.117 1.00 0.00 C ATOM 1339 C THR A 93 -2.164 6.039 -10.351 1.00 0.00 C ATOM 1340 O THR A 93 -3.058 5.420 -9.773 1.00 0.00 O ATOM 1341 CB THR A 93 -0.343 4.421 -10.930 1.00 0.00 C ATOM 1342 OG1 THR A 93 0.902 3.887 -10.456 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.229 4.736 -12.417 1.00 0.00 C ATOM 0 H THR A 93 -0.810 4.563 -8.358 1.00 0.00 H new ATOM 0 HA THR A 93 -0.070 6.507 -10.446 1.00 0.00 H new ATOM 0 HB THR A 93 -1.140 3.689 -10.798 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.131 3.085 -10.970 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.024 3.827 -12.963 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.180 5.125 -12.781 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.551 5.482 -12.572 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.403 7.062 -11.154 1.00 0.00 N ATOM 1352 CA TYR A 94 -3.762 7.501 -11.427 1.00 0.00 C ATOM 1353 C TYR A 94 -3.892 8.017 -12.854 1.00 0.00 C ATOM 1354 O TYR A 94 -3.187 8.954 -13.249 1.00 0.00 O ATOM 1355 CB TYR A 94 -4.181 8.594 -10.441 1.00 0.00 C ATOM 1356 CG TYR A 94 -5.566 9.137 -10.700 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -6.656 8.285 -10.794 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -5.780 10.499 -10.870 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -7.920 8.773 -11.048 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -7.045 10.995 -11.121 1.00 0.00 C ATOM 1361 CZ TYR A 94 -8.111 10.126 -11.209 1.00 0.00 C ATOM 1362 OH TYR A 94 -9.374 10.610 -11.462 1.00 0.00 O ATOM 0 H TYR A 94 -1.678 7.602 -11.626 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.421 6.641 -11.307 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.139 8.194 -9.428 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.463 9.412 -10.491 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.512 7.222 -10.666 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.945 11.181 -10.805 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.758 8.095 -11.120 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.197 12.057 -11.247 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.036 9.916 -11.261 1.00 0.00 H new ATOM 1371 N GLU A 95 -4.807 7.395 -13.604 1.00 0.00 N ATOM 1372 CA GLU A 95 -5.107 7.752 -14.995 1.00 0.00 C ATOM 1373 C GLU A 95 -3.939 7.419 -15.928 1.00 0.00 C ATOM 1374 O GLU A 95 -4.070 6.594 -16.834 1.00 0.00 O ATOM 1375 CB GLU A 95 -5.480 9.234 -15.107 1.00 0.00 C ATOM 1376 CG GLU A 95 -6.101 9.606 -16.444 1.00 0.00 C ATOM 1377 CD GLU A 95 -7.363 8.819 -16.735 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -8.301 8.866 -15.914 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -7.421 8.151 -17.785 1.00 0.00 O ATOM 0 H GLU A 95 -5.369 6.618 -13.257 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.962 7.154 -15.309 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.178 9.486 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.586 9.838 -14.950 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.331 10.671 -16.451 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.376 9.432 -17.239 1.00 0.00 H new ATOM 1384 N GLY A 96 -2.792 8.029 -15.673 1.00 0.00 N ATOM 1385 CA GLY A 96 -1.607 7.769 -16.462 1.00 0.00 C ATOM 1386 C GLY A 96 -0.392 8.467 -15.891 1.00 0.00 C ATOM 1387 O GLY A 96 0.528 8.835 -16.622 1.00 0.00 O ATOM 0 H GLY A 96 -2.661 8.708 -14.923 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.425 6.695 -16.502 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.771 8.103 -17.486 1.00 0.00 H new ATOM 1391 N VAL A 97 -0.375 8.620 -14.573 1.00 0.00 N ATOM 1392 CA VAL A 97 0.747 9.247 -13.887 1.00 0.00 C ATOM 1393 C VAL A 97 1.175 8.394 -12.707 1.00 0.00 C ATOM 1394 O VAL A 97 0.347 8.030 -11.869 1.00 0.00 O ATOM 1395 CB VAL A 97 0.390 10.654 -13.355 1.00 0.00 C ATOM 1396 CG1 VAL A 97 1.625 11.356 -12.812 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -0.275 11.498 -14.431 1.00 0.00 C ATOM 0 H VAL A 97 -1.129 8.317 -13.956 1.00 0.00 H new ATOM 0 HA VAL A 97 1.552 9.339 -14.616 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.322 10.529 -12.539 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.349 12.344 -12.443 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.048 10.769 -11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.364 11.458 -13.607 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.514 12.481 -14.026 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.403 11.609 -15.277 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.191 11.010 -14.762 1.00 0.00 H new ATOM 1407 N GLU A 98 2.464 8.115 -12.612 1.00 0.00 N ATOM 1408 CA GLU A 98 2.989 7.370 -11.482 1.00 0.00 C ATOM 1409 C GLU A 98 3.886 8.253 -10.620 1.00 0.00 C ATOM 1410 O GLU A 98 4.868 8.826 -11.097 1.00 0.00 O ATOM 1411 CB GLU A 98 3.755 6.125 -11.947 1.00 0.00 C ATOM 1412 CG GLU A 98 4.823 6.403 -12.995 1.00 0.00 C ATOM 1413 CD GLU A 98 6.102 5.626 -12.752 1.00 0.00 C ATOM 1414 OE1 GLU A 98 6.244 5.012 -11.673 1.00 0.00 O ATOM 1415 OE2 GLU A 98 6.991 5.644 -13.628 1.00 0.00 O ATOM 0 H GLU A 98 3.163 8.392 -13.301 1.00 0.00 H new ATOM 0 HA GLU A 98 2.142 7.043 -10.879 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.225 5.657 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.044 5.405 -12.352 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.432 6.151 -13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.048 7.470 -13.004 1.00 0.00 H new ATOM 1420 N ALA A 99 3.578 8.307 -9.336 1.00 0.00 N ATOM 1421 CA ALA A 99 4.395 9.034 -8.380 1.00 0.00 C ATOM 1422 C ALA A 99 4.682 8.131 -7.194 1.00 0.00 C ATOM 1423 O ALA A 99 3.771 7.489 -6.670 1.00 0.00 O ATOM 1424 CB ALA A 99 3.697 10.310 -7.936 1.00 0.00 C ATOM 0 H ALA A 99 2.761 7.852 -8.929 1.00 0.00 H new ATOM 0 HA ALA A 99 5.335 9.324 -8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.326 10.839 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.518 10.947 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.745 10.060 -7.467 1.00 0.00 H new ATOM 1430 N LYS A 100 5.954 7.971 -6.865 1.00 0.00 N ATOM 1431 CA LYS A 100 6.352 7.008 -5.851 1.00 0.00 C ATOM 1432 C LYS A 100 7.291 7.617 -4.821 1.00 0.00 C ATOM 1433 O LYS A 100 8.219 8.352 -5.161 1.00 0.00 O ATOM 1434 CB LYS A 100 7.003 5.787 -6.510 1.00 0.00 C ATOM 1435 CG LYS A 100 8.002 6.130 -7.601 1.00 0.00 C ATOM 1436 CD LYS A 100 8.523 4.880 -8.287 1.00 0.00 C ATOM 1437 CE LYS A 100 9.379 5.217 -9.496 1.00 0.00 C ATOM 1438 NZ LYS A 100 8.594 5.897 -10.563 1.00 0.00 N ATOM 0 H LYS A 100 6.725 8.492 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 100 5.451 6.696 -5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.507 5.199 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.221 5.156 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.530 6.781 -8.337 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.836 6.686 -7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.108 4.294 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.683 4.259 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.204 5.859 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.818 4.303 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 9.132 5.882 -11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.689 5.402 -10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.412 6.883 -10.285 1.00 0.00 H new ATOM 1448 N ARG A 101 7.046 7.290 -3.562 1.00 0.00 N ATOM 1449 CA ARG A 101 7.878 7.763 -2.469 1.00 0.00 C ATOM 1450 C ARG A 101 8.771 6.627 -1.979 1.00 0.00 C ATOM 1451 O ARG A 101 8.475 5.455 -2.220 1.00 0.00 O ATOM 1452 CB ARG A 101 7.013 8.294 -1.326 1.00 0.00 C ATOM 1453 CG ARG A 101 7.768 9.204 -0.369 1.00 0.00 C ATOM 1454 CD ARG A 101 6.953 9.493 0.877 1.00 0.00 C ATOM 1455 NE ARG A 101 7.607 10.447 1.776 1.00 0.00 N ATOM 1456 CZ ARG A 101 8.787 10.253 2.378 1.00 0.00 C ATOM 1457 NH1 ARG A 101 9.506 9.161 2.142 1.00 0.00 N ATOM 1458 NH2 ARG A 101 9.246 11.161 3.225 1.00 0.00 N ATOM 0 H ARG A 101 6.271 6.694 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 101 8.504 8.580 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.167 8.840 -1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 101 6.604 7.452 -0.768 1.00 0.00 H new ATOM 0 HG2 ARG A 101 8.712 8.737 -0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 101 8.013 10.140 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.979 9.885 0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.774 8.561 1.412 1.00 0.00 H new ATOM 0 HE ARG A 101 7.126 11.328 1.957 1.00 0.00 H new ATOM 0 HH11 ARG A 101 9.161 8.454 1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 101 10.403 9.030 2.610 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.701 12.002 3.416 1.00 0.00 H new ATOM 0 HH22 ARG A 101 10.144 11.019 3.687 1.00 0.00 H new ATOM 1469 N ILE A 102 9.904 6.974 -1.386 1.00 0.00 N ATOM 1470 CA ILE A 102 10.896 5.978 -1.000 1.00 0.00 C ATOM 1471 C ILE A 102 10.842 5.665 0.499 1.00 0.00 C ATOM 1472 O ILE A 102 10.704 6.561 1.337 1.00 0.00 O ATOM 1473 CB ILE A 102 12.322 6.442 -1.389 1.00 0.00 C ATOM 1474 CG1 ILE A 102 13.369 5.415 -0.946 1.00 0.00 C ATOM 1475 CG2 ILE A 102 12.627 7.809 -0.794 1.00 0.00 C ATOM 1476 CD1 ILE A 102 14.771 5.731 -1.421 1.00 0.00 C ATOM 0 H ILE A 102 10.160 7.935 -1.161 1.00 0.00 H new ATOM 0 HA ILE A 102 10.656 5.064 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 102 12.365 6.525 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 102 13.369 5.355 0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.081 4.432 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 102 13.633 8.114 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.907 8.537 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 102 12.559 7.756 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.457 4.960 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.788 5.762 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.079 6.699 -1.026 1.00 0.00 H new ATOM 1487 N PHE A 103 10.925 4.373 0.810 1.00 0.00 N ATOM 1488 CA PHE A 103 10.918 3.869 2.180 1.00 0.00 C ATOM 1489 C PHE A 103 11.843 2.659 2.249 1.00 0.00 C ATOM 1490 O PHE A 103 12.290 2.157 1.215 1.00 0.00 O ATOM 1491 CB PHE A 103 9.511 3.458 2.642 1.00 0.00 C ATOM 1492 CG PHE A 103 8.455 4.502 2.434 1.00 0.00 C ATOM 1493 CD1 PHE A 103 8.301 5.540 3.337 1.00 0.00 C ATOM 1494 CD2 PHE A 103 7.603 4.432 1.344 1.00 0.00 C ATOM 1495 CE1 PHE A 103 7.319 6.494 3.154 1.00 0.00 C ATOM 1496 CE2 PHE A 103 6.621 5.383 1.155 1.00 0.00 C ATOM 1497 CZ PHE A 103 6.478 6.414 2.061 1.00 0.00 C ATOM 0 H PHE A 103 11.000 3.638 0.107 1.00 0.00 H new ATOM 0 HA PHE A 103 11.257 4.667 2.841 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.218 2.553 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 103 9.550 3.206 3.702 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.956 5.605 4.194 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.708 3.625 0.635 1.00 0.00 H new ATOM 0 HE1 PHE A 103 7.209 7.301 3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.965 5.320 0.299 1.00 0.00 H new ATOM 0 HZ PHE A 103 5.709 7.158 1.916 1.00 0.00 H new ATOM 1506 N LYS A 104 12.171 2.213 3.449 1.00 0.00 N ATOM 1507 CA LYS A 104 13.076 1.081 3.606 1.00 0.00 C ATOM 1508 C LYS A 104 12.645 0.175 4.757 1.00 0.00 C ATOM 1509 O LYS A 104 11.881 0.593 5.623 1.00 0.00 O ATOM 1510 CB LYS A 104 14.526 1.568 3.795 1.00 0.00 C ATOM 1511 CG LYS A 104 14.704 2.731 4.772 1.00 0.00 C ATOM 1512 CD LYS A 104 14.303 2.363 6.192 1.00 0.00 C ATOM 1513 CE LYS A 104 14.771 3.397 7.201 1.00 0.00 C ATOM 1514 NZ LYS A 104 14.357 3.039 8.584 1.00 0.00 N ATOM 0 H LYS A 104 11.829 2.611 4.324 1.00 0.00 H new ATOM 0 HA LYS A 104 13.031 0.488 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.131 0.730 4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.920 1.867 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.745 3.053 4.763 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.106 3.578 4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.219 2.266 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.724 1.391 6.447 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.857 3.484 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.362 4.373 6.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.722 3.749 9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.319 3.013 8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.740 2.104 8.830 1.00 0.00 H new ATOM 1524 N LYS A 105 13.166 -1.048 4.779 1.00 0.00 N ATOM 1525 CA LYS A 105 12.892 -1.969 5.876 1.00 0.00 C ATOM 1526 C LYS A 105 13.557 -1.461 7.149 1.00 0.00 C ATOM 1527 O LYS A 105 14.718 -1.059 7.129 1.00 0.00 O ATOM 1528 CB LYS A 105 13.392 -3.385 5.539 1.00 0.00 C ATOM 1529 CG LYS A 105 13.244 -4.392 6.678 1.00 0.00 C ATOM 1530 CD LYS A 105 11.801 -4.496 7.154 1.00 0.00 C ATOM 1531 CE LYS A 105 11.641 -5.451 8.330 1.00 0.00 C ATOM 1532 NZ LYS A 105 12.626 -5.183 9.415 1.00 0.00 N ATOM 0 H LYS A 105 13.777 -1.423 4.053 1.00 0.00 H new ATOM 0 HA LYS A 105 11.814 -2.020 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 105 12.846 -3.753 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 105 14.443 -3.328 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 105 13.589 -5.371 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 105 13.882 -4.096 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 105 11.445 -3.507 7.442 1.00 0.00 H new ATOM 0 HD3 LYS A 105 11.173 -4.833 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 105 10.631 -5.365 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 105 11.759 -6.477 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 12.169 -5.318 10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 13.428 -5.839 9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 12.969 -4.204 9.338 1.00 0.00 H new ATOM 1542 N GLU A 106 12.798 -1.426 8.231 1.00 0.00 N ATOM 1543 CA GLU A 106 13.301 -0.934 9.498 1.00 0.00 C ATOM 1544 C GLU A 106 14.417 -1.838 10.001 1.00 0.00 C ATOM 1545 O GLU A 106 15.451 -1.312 10.454 1.00 0.00 O ATOM 1546 CB GLU A 106 12.175 -0.886 10.521 1.00 0.00 C ATOM 1547 CG GLU A 106 12.454 0.042 11.688 1.00 0.00 C ATOM 1548 CD GLU A 106 12.471 1.495 11.269 1.00 0.00 C ATOM 1549 OE1 GLU A 106 11.399 2.021 10.905 1.00 0.00 O ATOM 1550 OE2 GLU A 106 13.556 2.114 11.295 1.00 0.00 O ATOM 1551 OXT GLU A 106 14.248 -3.076 9.933 1.00 0.00 O ATOM 0 H GLU A 106 11.826 -1.735 8.255 1.00 0.00 H new ATOM 0 HA GLU A 106 13.695 0.072 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.258 -0.567 10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 106 11.998 -1.892 10.902 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.695 -0.104 12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.414 -0.217 12.135 1.00 0.00 H new TER 1556 GLU A 106