USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 760 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 102 MET CE :methyl 154:sc= -0.24 (180deg=-1.01) USER MOD Set 1.2: A 106 GLN : amide:sc= 0.806 K(o=0.57,f=-0.24) USER MOD Set 2.1: A 85 GLN :FLIP amide:sc= -1.53! F(o=-1.7,f=-1.2!) USER MOD Set 2.2: A 87 HIS : no HD1:sc= 0.313 K(o=-1.2,f=-1.7) USER MOD Single : A 3 HIS : no HD1:sc= 0.566 K(o=0.57,f=-5.5!) USER MOD Single : A 4 SER OG : rot -18:sc= 0.795 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3! C(o=-3!,f=-2.6!) USER MOD Single : A 23 SER OG : rot 180:sc= -1.66! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 60:sc= -0.238! USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 36 LYS NZ :NH3+ -98:sc= -0.135 (180deg=-0.978) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 43 SER OG : rot -76:sc= -0.782 USER MOD Single : A 44 THR OG1 : rot -28:sc= 1.04 USER MOD Single : A 47 LYS NZ :NH3+ -107:sc= 1.33 (180deg=0.0925) USER MOD Single : A 49 GLN : amide:sc= -0.0728 K(o=-0.073,f=-1.3!) USER MOD Single : A 51 THR OG1 : rot -28:sc= -0.89 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 160:sc= 0.283 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -149:sc= 0 (180deg=-0.447) USER MOD Single : A 59 MET CE :methyl 153:sc= -0.127 (180deg=-0.602) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= -0.0417 (180deg=-0.333) USER MOD Single : A 88 MET CE :methyl -121:sc= -6.22! (180deg=-9.07!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 93 ASN : amide:sc= -0.0891 K(o=-0.089,f=-10!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -160:sc= -2.28 (180deg=-6.51!) USER MOD Single : A 99 ASN :FLIP amide:sc= -0.764 F(o=-2.4!,f=-0.76) USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.17) USER MOD Single : A 103 THR OG1 : rot 53:sc= 1.25 USER MOD Single : A 105 GLN : amide:sc= -1.43! C(o=-1.4!,f=-7!) USER MOD Single : A 109 SER OG : rot 83:sc= 1.15 USER MOD Single : A 111 TYR OH : rot 165:sc= -0.602 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 13.891 -2.733 2.882 1.00 0.35 N ATOM 29 CA HIS A 3 13.674 -1.413 2.278 1.00 0.24 C ATOM 30 C HIS A 3 13.663 -1.458 0.750 1.00 0.16 C ATOM 31 O HIS A 3 13.577 -0.427 0.102 1.00 0.19 O ATOM 32 CB HIS A 3 14.749 -0.421 2.742 1.00 0.32 C ATOM 33 CG HIS A 3 14.537 0.155 4.107 1.00 0.71 C ATOM 34 ND1 HIS A 3 14.756 -0.547 5.274 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.134 1.390 4.484 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.492 0.234 6.306 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.115 1.414 5.853 1.00 1.85 N ATOM 0 HA HIS A 3 12.690 -1.083 2.612 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.716 -0.923 2.723 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.800 0.397 2.024 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.875 2.207 3.826 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.571 -0.046 7.346 1.00 1.64 H new ATOM 0 HE2 HIS A 3 13.852 2.214 6.429 1.00 1.85 H new ATOM 46 N SER A 4 13.755 -2.638 0.180 1.00 0.14 N ATOM 47 CA SER A 4 13.755 -2.794 -1.270 1.00 0.13 C ATOM 48 C SER A 4 13.351 -4.218 -1.637 1.00 0.15 C ATOM 49 O SER A 4 13.605 -5.159 -0.882 1.00 0.24 O ATOM 50 CB SER A 4 15.130 -2.476 -1.875 1.00 0.17 C ATOM 51 OG SER A 4 15.589 -1.188 -1.495 1.00 0.95 O ATOM 0 H SER A 4 13.832 -3.514 0.697 1.00 0.14 H new ATOM 0 HA SER A 4 13.035 -2.086 -1.681 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.851 -3.228 -1.554 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.071 -2.535 -2.962 1.00 0.17 H new ATOM 0 HG SER A 4 14.834 -0.653 -1.173 1.00 0.95 H new ATOM 57 N GLY A 5 12.706 -4.358 -2.778 1.00 0.14 N ATOM 58 CA GLY A 5 12.271 -5.653 -3.251 1.00 0.15 C ATOM 59 C GLY A 5 11.467 -5.506 -4.516 1.00 0.15 C ATOM 60 O GLY A 5 10.792 -4.500 -4.698 1.00 0.16 O ATOM 0 H GLY A 5 12.471 -3.583 -3.398 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.136 -6.290 -3.434 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.670 -6.144 -2.485 1.00 0.15 H new ATOM 64 N ALA A 6 11.539 -6.483 -5.398 1.00 0.16 N ATOM 65 CA ALA A 6 10.873 -6.371 -6.686 1.00 0.17 C ATOM 66 C ALA A 6 9.353 -6.526 -6.549 1.00 0.21 C ATOM 67 O ALA A 6 8.874 -7.367 -5.783 1.00 0.43 O ATOM 68 CB ALA A 6 11.430 -7.390 -7.663 1.00 0.21 C ATOM 0 H ALA A 6 12.046 -7.356 -5.252 1.00 0.16 H new ATOM 0 HA ALA A 6 11.068 -5.372 -7.076 1.00 0.17 H new ATOM 0 HB1 ALA A 6 10.920 -7.292 -8.621 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.497 -7.217 -7.800 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.273 -8.394 -7.270 1.00 0.21 H new ATOM 74 N ALA A 7 8.602 -5.718 -7.296 1.00 0.11 N ATOM 75 CA ALA A 7 7.142 -5.761 -7.247 1.00 0.12 C ATOM 76 C ALA A 7 6.523 -5.394 -8.592 1.00 0.12 C ATOM 77 O ALA A 7 7.167 -4.807 -9.450 1.00 0.13 O ATOM 78 CB ALA A 7 6.606 -4.830 -6.173 1.00 0.12 C ATOM 0 H ALA A 7 8.981 -5.026 -7.942 1.00 0.11 H new ATOM 0 HA ALA A 7 6.863 -6.787 -7.005 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.517 -4.881 -6.158 1.00 0.12 H new ATOM 0 HB2 ALA A 7 6.997 -5.132 -5.201 1.00 0.12 H new ATOM 0 HB3 ALA A 7 6.918 -3.808 -6.388 1.00 0.12 H new ATOM 84 N ILE A 8 5.262 -5.738 -8.747 1.00 0.15 N ATOM 85 CA ILE A 8 4.505 -5.485 -9.963 1.00 0.19 C ATOM 86 C ILE A 8 3.475 -4.404 -9.689 1.00 0.22 C ATOM 87 O ILE A 8 2.690 -4.512 -8.750 1.00 0.26 O ATOM 88 CB ILE A 8 3.776 -6.769 -10.452 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.750 -7.815 -11.018 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.724 -6.426 -11.490 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.670 -8.443 -9.993 1.00 0.25 C ATOM 0 H ILE A 8 4.722 -6.209 -8.022 1.00 0.15 H new ATOM 0 HA ILE A 8 5.199 -5.167 -10.741 1.00 0.19 H new ATOM 0 HB ILE A 8 3.292 -7.208 -9.579 1.00 0.23 H new ATOM 0 HG12 ILE A 8 4.174 -8.604 -11.501 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.357 -7.345 -11.792 1.00 0.26 H new ATOM 0 HG21 ILE A 8 2.226 -7.338 -11.819 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.990 -5.749 -11.054 1.00 0.29 H new ATOM 0 HG23 ILE A 8 3.199 -5.944 -12.344 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.320 -9.167 -10.483 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.277 -7.668 -9.526 1.00 0.25 H new ATOM 0 HD13 ILE A 8 5.076 -8.947 -9.231 1.00 0.25 H new ATOM 103 N PHE A 9 3.481 -3.367 -10.497 1.00 0.28 N ATOM 104 CA PHE A 9 2.554 -2.274 -10.308 1.00 0.34 C ATOM 105 C PHE A 9 1.583 -2.200 -11.475 1.00 0.46 C ATOM 106 O PHE A 9 1.903 -1.657 -12.526 1.00 0.52 O ATOM 107 CB PHE A 9 3.335 -0.967 -10.158 1.00 0.35 C ATOM 108 CG PHE A 9 2.491 0.269 -10.008 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.830 0.536 -8.821 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.381 1.178 -11.048 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.076 1.683 -8.675 1.00 0.45 C ATOM 112 CE2 PHE A 9 1.625 2.324 -10.910 1.00 0.56 C ATOM 113 CZ PHE A 9 0.972 2.578 -9.721 1.00 0.52 C ATOM 0 H PHE A 9 4.115 -3.258 -11.288 1.00 0.28 H new ATOM 0 HA PHE A 9 1.973 -2.440 -9.401 1.00 0.34 H new ATOM 0 HB2 PHE A 9 3.987 -1.050 -9.289 1.00 0.35 H new ATOM 0 HB3 PHE A 9 3.979 -0.845 -11.029 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.905 -0.161 -8.000 1.00 0.40 H new ATOM 0 HD2 PHE A 9 2.894 0.987 -11.979 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.568 1.880 -7.743 1.00 0.45 H new ATOM 0 HE2 PHE A 9 1.544 3.021 -11.731 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.381 3.475 -9.609 1.00 0.52 H new ATOM 123 N GLU A 10 0.388 -2.735 -11.271 1.00 0.58 N ATOM 124 CA GLU A 10 -0.628 -2.792 -12.318 1.00 0.73 C ATOM 125 C GLU A 10 -0.105 -3.519 -13.552 1.00 0.64 C ATOM 126 O GLU A 10 -0.029 -2.952 -14.646 1.00 0.67 O ATOM 127 CB GLU A 10 -1.102 -1.397 -12.701 1.00 0.87 C ATOM 128 CG GLU A 10 -1.703 -0.626 -11.538 1.00 0.98 C ATOM 129 CD GLU A 10 -2.540 0.554 -11.986 1.00 1.21 C ATOM 130 OE1 GLU A 10 -1.971 1.626 -12.273 1.00 1.25 O ATOM 131 OE2 GLU A 10 -3.781 0.413 -12.057 1.00 1.46 O ATOM 0 H GLU A 10 0.094 -3.140 -10.382 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.475 -3.349 -11.918 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -0.261 -0.834 -13.106 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -1.843 -1.478 -13.496 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -2.321 -1.299 -10.943 1.00 0.98 H new ATOM 0 HG3 GLU A 10 -0.901 -0.272 -10.890 1.00 0.98 H new ATOM 138 N LYS A 11 0.283 -4.767 -13.340 1.00 0.58 N ATOM 139 CA LYS A 11 0.622 -5.706 -14.413 1.00 0.55 C ATOM 140 C LYS A 11 1.995 -5.450 -15.044 1.00 0.49 C ATOM 141 O LYS A 11 2.460 -6.261 -15.845 1.00 0.56 O ATOM 142 CB LYS A 11 -0.471 -5.734 -15.479 1.00 0.65 C ATOM 143 CG LYS A 11 -1.843 -5.940 -14.874 1.00 0.74 C ATOM 144 CD LYS A 11 -1.974 -7.272 -14.185 1.00 1.29 C ATOM 145 CE LYS A 11 -3.031 -7.221 -13.103 1.00 1.32 C ATOM 146 NZ LYS A 11 -4.393 -7.014 -13.661 1.00 1.91 N ATOM 0 H LYS A 11 0.374 -5.168 -12.406 1.00 0.58 H new ATOM 0 HA LYS A 11 0.686 -6.688 -13.943 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.457 -4.798 -16.038 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.264 -6.533 -16.191 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -2.045 -5.143 -14.158 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.597 -5.864 -15.657 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.232 -8.039 -14.915 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -1.016 -7.556 -13.749 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.011 -8.150 -12.533 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -2.798 -6.415 -12.407 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -5.085 -6.985 -12.885 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -4.421 -6.115 -14.184 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -4.627 -7.796 -14.305 1.00 1.91 H new ATOM 160 N VAL A 12 2.648 -4.342 -14.707 1.00 0.44 N ATOM 161 CA VAL A 12 4.045 -4.170 -15.104 1.00 0.42 C ATOM 162 C VAL A 12 4.964 -4.577 -13.962 1.00 0.35 C ATOM 163 O VAL A 12 4.779 -4.157 -12.819 1.00 0.30 O ATOM 164 CB VAL A 12 4.397 -2.729 -15.568 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.718 -1.688 -14.706 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.908 -2.528 -15.542 1.00 0.46 C ATOM 0 H VAL A 12 2.248 -3.569 -14.175 1.00 0.44 H new ATOM 0 HA VAL A 12 4.194 -4.817 -15.968 1.00 0.42 H new ATOM 0 HB VAL A 12 4.033 -2.606 -16.588 1.00 0.47 H new ATOM 0 HG11 VAL A 12 3.986 -0.692 -15.059 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.637 -1.815 -14.766 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.041 -1.806 -13.671 1.00 0.47 H new ATOM 0 HG21 VAL A 12 6.146 -1.516 -15.869 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.278 -2.678 -14.528 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.382 -3.246 -16.211 1.00 0.46 H new ATOM 176 N SER A 13 5.941 -5.408 -14.273 1.00 0.35 N ATOM 177 CA SER A 13 6.873 -5.892 -13.276 1.00 0.30 C ATOM 178 C SER A 13 8.019 -4.909 -13.085 1.00 0.28 C ATOM 179 O SER A 13 8.600 -4.408 -14.052 1.00 0.40 O ATOM 180 CB SER A 13 7.406 -7.269 -13.672 1.00 0.34 C ATOM 181 OG SER A 13 8.155 -7.851 -12.620 1.00 1.02 O ATOM 0 H SER A 13 6.109 -5.763 -15.214 1.00 0.35 H new ATOM 0 HA SER A 13 6.344 -5.984 -12.327 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.574 -7.922 -13.934 1.00 0.34 H new ATOM 0 HB3 SER A 13 8.031 -7.178 -14.560 1.00 0.34 H new ATOM 0 HG SER A 13 8.482 -8.731 -12.900 1.00 1.02 H new ATOM 187 N GLY A 14 8.332 -4.629 -11.833 1.00 0.16 N ATOM 188 CA GLY A 14 9.398 -3.715 -11.524 1.00 0.14 C ATOM 189 C GLY A 14 9.989 -3.955 -10.159 1.00 0.12 C ATOM 190 O GLY A 14 9.921 -5.061 -9.630 1.00 0.14 O ATOM 0 H GLY A 14 7.860 -5.024 -11.020 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.181 -3.808 -12.276 1.00 0.14 H new ATOM 0 HA3 GLY A 14 9.023 -2.693 -11.579 1.00 0.14 H new ATOM 194 N ILE A 15 10.587 -2.926 -9.601 1.00 0.11 N ATOM 195 CA ILE A 15 11.238 -3.021 -8.313 1.00 0.12 C ATOM 196 C ILE A 15 10.718 -1.950 -7.371 1.00 0.10 C ATOM 197 O ILE A 15 10.269 -0.908 -7.802 1.00 0.08 O ATOM 198 CB ILE A 15 12.762 -2.862 -8.440 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.303 -3.693 -9.601 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.461 -3.253 -7.149 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.275 -5.187 -9.394 1.00 0.19 C ATOM 0 H ILE A 15 10.636 -2.000 -10.027 1.00 0.11 H new ATOM 0 HA ILE A 15 11.013 -4.010 -7.914 1.00 0.12 H new ATOM 0 HB ILE A 15 12.967 -1.810 -8.640 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.726 -3.456 -10.495 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.332 -3.389 -9.795 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.538 -3.131 -7.267 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.110 -2.615 -6.338 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.237 -4.294 -6.915 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.680 -5.684 -10.275 1.00 0.19 H new ATOM 0 HD12 ILE A 15 13.877 -5.445 -8.523 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.247 -5.513 -9.234 1.00 0.19 H new ATOM 213 N ILE A 16 10.786 -2.224 -6.094 1.00 0.13 N ATOM 214 CA ILE A 16 10.335 -1.297 -5.071 1.00 0.11 C ATOM 215 C ILE A 16 11.478 -0.970 -4.123 1.00 0.12 C ATOM 216 O ILE A 16 12.216 -1.858 -3.696 1.00 0.15 O ATOM 217 CB ILE A 16 9.130 -1.882 -4.296 1.00 0.12 C ATOM 218 CG1 ILE A 16 7.885 -1.060 -4.591 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.381 -1.928 -2.792 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.632 -1.627 -3.970 1.00 0.16 C ATOM 0 H ILE A 16 11.157 -3.100 -5.725 1.00 0.13 H new ATOM 0 HA ILE A 16 10.009 -0.376 -5.554 1.00 0.11 H new ATOM 0 HB ILE A 16 8.986 -2.909 -4.632 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.035 -0.044 -4.226 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.749 -0.994 -5.671 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.508 -2.346 -2.290 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.251 -2.552 -2.587 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.564 -0.919 -2.423 1.00 0.13 H new ATOM 0 HD11 ILE A 16 5.782 -0.992 -4.220 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.459 -2.632 -4.354 1.00 0.16 H new ATOM 0 HD13 ILE A 16 6.749 -1.667 -2.887 1.00 0.16 H new ATOM 232 N ALA A 17 11.662 0.305 -3.848 1.00 0.10 N ATOM 233 CA ALA A 17 12.684 0.732 -2.910 1.00 0.10 C ATOM 234 C ALA A 17 12.175 1.820 -1.969 1.00 0.08 C ATOM 235 O ALA A 17 11.950 2.953 -2.379 1.00 0.08 O ATOM 236 CB ALA A 17 13.918 1.198 -3.657 1.00 0.12 C ATOM 0 H ALA A 17 11.119 1.064 -4.259 1.00 0.10 H new ATOM 0 HA ALA A 17 12.948 -0.126 -2.293 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.677 1.516 -2.943 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.308 0.379 -4.261 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.657 2.035 -4.305 1.00 0.12 H new ATOM 242 N ILE A 18 11.998 1.462 -0.712 1.00 0.08 N ATOM 243 CA ILE A 18 11.658 2.417 0.325 1.00 0.08 C ATOM 244 C ILE A 18 12.935 3.031 0.865 1.00 0.09 C ATOM 245 O ILE A 18 13.758 2.338 1.462 1.00 0.18 O ATOM 246 CB ILE A 18 10.935 1.798 1.527 1.00 0.10 C ATOM 247 CG1 ILE A 18 9.772 0.906 1.086 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.453 2.915 2.452 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.164 -0.529 0.854 1.00 0.12 C ATOM 0 H ILE A 18 12.086 0.501 -0.381 1.00 0.08 H new ATOM 0 HA ILE A 18 10.991 3.141 -0.143 1.00 0.08 H new ATOM 0 HB ILE A 18 11.634 1.159 2.067 1.00 0.10 H new ATOM 0 HG12 ILE A 18 8.990 0.942 1.845 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.344 1.309 0.168 1.00 0.12 H new ATOM 0 HG21 ILE A 18 9.938 2.481 3.309 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.308 3.495 2.798 1.00 0.13 H new ATOM 0 HG23 ILE A 18 9.768 3.567 1.909 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.289 -1.100 0.544 1.00 0.12 H new ATOM 0 HD12 ILE A 18 10.923 -0.577 0.074 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.564 -0.950 1.776 1.00 0.12 H new ATOM 261 N ASN A 19 13.100 4.311 0.674 1.00 0.13 N ATOM 262 CA ASN A 19 14.283 4.992 1.144 1.00 0.18 C ATOM 263 C ASN A 19 13.906 6.043 2.142 1.00 0.20 C ATOM 264 O ASN A 19 13.046 6.878 1.864 1.00 0.21 O ATOM 265 CB ASN A 19 15.037 5.614 -0.039 1.00 0.22 C ATOM 266 CG ASN A 19 15.912 6.791 0.363 1.00 0.43 C ATOM 267 OD1 ASN A 19 17.056 6.623 0.777 1.00 1.12 O ATOM 268 ND2 ASN A 19 15.378 7.998 0.222 1.00 0.29 N ATOM 0 H ASN A 19 12.428 4.910 0.194 1.00 0.13 H new ATOM 0 HA ASN A 19 14.940 4.272 1.631 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.658 4.851 -0.508 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.317 5.943 -0.788 1.00 0.22 H new ATOM 0 HD21 ASN A 19 15.922 8.827 0.461 1.00 0.29 H new ATOM 0 HD22 ASN A 19 14.424 8.096 -0.125 1.00 0.29 H new ATOM 275 N GLU A 20 14.509 6.012 3.321 1.00 0.24 N ATOM 276 CA GLU A 20 14.411 7.178 4.139 1.00 0.28 C ATOM 277 C GLU A 20 15.796 7.813 4.202 1.00 0.34 C ATOM 278 O GLU A 20 16.567 7.596 5.140 1.00 0.40 O ATOM 279 CB GLU A 20 13.990 6.773 5.553 1.00 0.33 C ATOM 280 CG GLU A 20 12.979 5.643 5.595 1.00 0.33 C ATOM 281 CD GLU A 20 13.083 4.830 6.868 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.437 5.195 7.866 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.830 3.830 6.880 1.00 0.74 O ATOM 0 H GLU A 20 15.041 5.231 3.705 1.00 0.24 H new ATOM 0 HA GLU A 20 13.678 7.873 3.729 1.00 0.28 H new ATOM 0 HB2 GLU A 20 14.876 6.475 6.114 1.00 0.33 H new ATOM 0 HB3 GLU A 20 13.570 7.642 6.059 1.00 0.33 H new ATOM 0 HG2 GLU A 20 11.973 6.054 5.510 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.130 4.990 4.735 1.00 0.33 H new ATOM 290 N ASP A 21 16.086 8.593 3.181 1.00 0.35 N ATOM 291 CA ASP A 21 17.073 9.660 3.193 1.00 0.41 C ATOM 292 C ASP A 21 16.337 10.935 2.843 1.00 0.41 C ATOM 293 O ASP A 21 16.827 12.055 2.985 1.00 0.46 O ATOM 294 CB ASP A 21 18.193 9.362 2.185 1.00 0.44 C ATOM 295 CG ASP A 21 19.150 10.522 1.990 1.00 0.51 C ATOM 296 OD1 ASP A 21 19.920 10.831 2.923 1.00 0.59 O ATOM 297 OD2 ASP A 21 19.152 11.120 0.893 1.00 0.53 O ATOM 0 H ASP A 21 15.621 8.498 2.278 1.00 0.35 H new ATOM 0 HA ASP A 21 17.548 9.753 4.169 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.754 8.491 2.523 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.748 9.102 1.225 1.00 0.44 H new ATOM 302 N VAL A 22 15.108 10.699 2.418 1.00 0.35 N ATOM 303 CA VAL A 22 14.355 11.602 1.568 1.00 0.33 C ATOM 304 C VAL A 22 13.327 12.416 2.362 1.00 0.31 C ATOM 305 O VAL A 22 13.159 12.222 3.571 1.00 0.30 O ATOM 306 CB VAL A 22 13.636 10.705 0.515 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.643 9.785 1.202 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.939 11.480 -0.587 1.00 0.32 C ATOM 0 H VAL A 22 14.594 9.852 2.661 1.00 0.35 H new ATOM 0 HA VAL A 22 15.022 12.327 1.102 1.00 0.33 H new ATOM 0 HB VAL A 22 14.423 10.126 0.031 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.147 9.163 0.457 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.169 9.148 1.914 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.899 10.382 1.730 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.464 10.783 -1.278 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.182 12.131 -0.151 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.670 12.083 -1.126 1.00 0.32 H new ATOM 318 N SER A 23 12.676 13.346 1.664 1.00 0.32 N ATOM 319 CA SER A 23 11.478 14.018 2.154 1.00 0.28 C ATOM 320 C SER A 23 10.492 12.910 2.519 1.00 0.18 C ATOM 321 O SER A 23 10.694 11.800 2.041 1.00 0.16 O ATOM 322 CB SER A 23 10.924 14.944 1.060 1.00 0.35 C ATOM 323 OG SER A 23 10.283 16.085 1.609 1.00 1.31 O ATOM 0 H SER A 23 12.969 13.655 0.737 1.00 0.32 H new ATOM 0 HA SER A 23 11.676 14.645 3.023 1.00 0.28 H new ATOM 0 HB2 SER A 23 11.737 15.263 0.408 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.216 14.392 0.441 1.00 0.35 H new ATOM 0 HG SER A 23 9.945 16.651 0.884 1.00 1.31 H new ATOM 329 N PRO A 24 9.390 13.151 3.268 1.00 0.16 N ATOM 330 CA PRO A 24 8.801 12.112 4.137 1.00 0.16 C ATOM 331 C PRO A 24 8.795 10.755 3.458 1.00 0.15 C ATOM 332 O PRO A 24 8.279 10.618 2.346 1.00 0.22 O ATOM 333 CB PRO A 24 7.363 12.613 4.327 1.00 0.21 C ATOM 334 CG PRO A 24 7.192 13.680 3.301 1.00 0.19 C ATOM 335 CD PRO A 24 8.534 14.336 3.236 1.00 0.17 C ATOM 0 HA PRO A 24 9.354 11.974 5.066 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.642 11.808 4.184 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.210 13.004 5.333 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.904 13.263 2.336 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.415 14.388 3.587 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.668 14.924 2.328 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.714 15.004 4.078 1.00 0.17 H new ATOM 343 N ALA A 25 9.343 9.766 4.188 1.00 0.15 N ATOM 344 CA ALA A 25 9.897 8.535 3.605 1.00 0.14 C ATOM 345 C ALA A 25 9.190 8.086 2.353 1.00 0.14 C ATOM 346 O ALA A 25 7.964 8.019 2.294 1.00 0.18 O ATOM 347 CB ALA A 25 9.920 7.408 4.606 1.00 0.20 C ATOM 0 H ALA A 25 9.413 9.801 5.205 1.00 0.15 H new ATOM 0 HA ALA A 25 10.918 8.791 3.323 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.336 6.515 4.139 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.536 7.692 5.459 1.00 0.20 H new ATOM 0 HB3 ALA A 25 8.905 7.201 4.944 1.00 0.20 H new ATOM 353 N GLU A 26 9.982 7.718 1.377 1.00 0.14 N ATOM 354 CA GLU A 26 9.473 7.494 0.057 1.00 0.15 C ATOM 355 C GLU A 26 9.825 6.105 -0.443 1.00 0.11 C ATOM 356 O GLU A 26 10.942 5.622 -0.275 1.00 0.13 O ATOM 357 CB GLU A 26 9.957 8.569 -0.938 1.00 0.27 C ATOM 358 CG GLU A 26 9.265 9.908 -0.766 1.00 0.66 C ATOM 359 CD GLU A 26 9.529 10.854 -1.919 1.00 0.71 C ATOM 360 OE1 GLU A 26 10.561 10.702 -2.604 1.00 1.26 O ATOM 361 OE2 GLU A 26 8.709 11.762 -2.146 1.00 1.14 O ATOM 0 H GLU A 26 10.986 7.568 1.478 1.00 0.14 H new ATOM 0 HA GLU A 26 8.387 7.569 0.121 1.00 0.15 H new ATOM 0 HB2 GLU A 26 11.032 8.706 -0.818 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.793 8.212 -1.955 1.00 0.27 H new ATOM 0 HG2 GLU A 26 8.191 9.748 -0.671 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.602 10.370 0.162 1.00 0.66 H new ATOM 368 N LEU A 27 8.850 5.489 -1.069 1.00 0.10 N ATOM 369 CA LEU A 27 9.015 4.219 -1.738 1.00 0.09 C ATOM 370 C LEU A 27 9.149 4.521 -3.200 1.00 0.09 C ATOM 371 O LEU A 27 8.486 5.405 -3.705 1.00 0.13 O ATOM 372 CB LEU A 27 7.776 3.347 -1.484 1.00 0.11 C ATOM 373 CG LEU A 27 7.588 2.100 -2.373 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.559 1.207 -1.736 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.118 2.448 -3.789 1.00 0.11 C ATOM 0 H LEU A 27 7.903 5.863 -1.129 1.00 0.10 H new ATOM 0 HA LEU A 27 9.889 3.680 -1.373 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.803 3.018 -0.445 1.00 0.11 H new ATOM 0 HB3 LEU A 27 6.893 3.976 -1.596 1.00 0.11 H new ATOM 0 HG LEU A 27 8.557 1.608 -2.457 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.415 0.320 -2.353 1.00 0.15 H new ATOM 0 HD12 LEU A 27 6.900 0.908 -0.745 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.615 1.745 -1.648 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.003 1.533 -4.369 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.161 2.968 -3.737 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.855 3.092 -4.269 1.00 0.11 H new ATOM 387 N THR A 28 9.991 3.809 -3.884 1.00 0.08 N ATOM 388 CA THR A 28 10.184 4.077 -5.278 1.00 0.09 C ATOM 389 C THR A 28 10.077 2.802 -6.079 1.00 0.08 C ATOM 390 O THR A 28 10.940 1.932 -5.996 1.00 0.10 O ATOM 391 CB THR A 28 11.539 4.743 -5.536 1.00 0.14 C ATOM 392 OG1 THR A 28 11.767 5.783 -4.573 1.00 0.21 O ATOM 393 CG2 THR A 28 11.573 5.328 -6.930 1.00 0.14 C ATOM 0 H THR A 28 10.551 3.045 -3.506 1.00 0.08 H new ATOM 0 HA THR A 28 9.401 4.766 -5.594 1.00 0.09 H new ATOM 0 HB THR A 28 12.322 3.990 -5.444 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.636 6.202 -4.744 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.541 5.799 -7.103 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.419 4.535 -7.661 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.783 6.073 -7.031 1.00 0.14 H new ATOM 401 N TRP A 29 9.000 2.682 -6.823 1.00 0.08 N ATOM 402 CA TRP A 29 8.836 1.550 -7.703 1.00 0.08 C ATOM 403 C TRP A 29 9.466 1.852 -9.050 1.00 0.08 C ATOM 404 O TRP A 29 9.019 2.722 -9.783 1.00 0.12 O ATOM 405 CB TRP A 29 7.366 1.177 -7.863 1.00 0.11 C ATOM 406 CG TRP A 29 7.161 0.004 -8.770 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.308 -1.319 -8.460 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.779 0.053 -10.140 1.00 0.14 C ATOM 409 NE1 TRP A 29 7.045 -2.090 -9.564 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.718 -1.270 -10.607 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.480 1.092 -11.018 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.376 -1.580 -11.915 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.138 0.783 -12.313 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.089 -0.541 -12.751 1.00 0.24 C ATOM 0 H TRP A 29 8.230 3.351 -6.836 1.00 0.08 H new ATOM 0 HA TRP A 29 9.341 0.692 -7.259 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.944 0.951 -6.884 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.819 2.034 -8.256 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.589 -1.701 -7.490 1.00 0.13 H new ATOM 0 HE1 TRP A 29 7.087 -3.109 -9.600 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.516 2.120 -10.688 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.338 -2.603 -12.258 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 5.903 1.579 -13.004 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.818 -0.748 -13.776 1.00 0.24 H new ATOM 425 N ARG A 30 10.510 1.125 -9.351 1.00 0.10 N ATOM 426 CA ARG A 30 11.273 1.321 -10.560 1.00 0.12 C ATOM 427 C ARG A 30 11.254 0.039 -11.375 1.00 0.13 C ATOM 428 O ARG A 30 11.667 -0.999 -10.881 1.00 0.15 O ATOM 429 CB ARG A 30 12.704 1.703 -10.176 1.00 0.15 C ATOM 430 CG ARG A 30 13.656 1.770 -11.347 1.00 0.21 C ATOM 431 CD ARG A 30 14.566 0.558 -11.378 1.00 0.32 C ATOM 432 NE ARG A 30 15.341 0.483 -12.616 1.00 0.33 N ATOM 433 CZ ARG A 30 16.268 -0.443 -12.861 1.00 0.47 C ATOM 434 NH1 ARG A 30 16.521 -1.390 -11.963 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.945 -0.419 -14.002 1.00 0.51 N ATOM 0 H ARG A 30 10.860 0.372 -8.759 1.00 0.10 H new ATOM 0 HA ARG A 30 10.842 2.119 -11.164 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.689 2.672 -9.677 1.00 0.15 H new ATOM 0 HB3 ARG A 30 13.082 0.978 -9.455 1.00 0.15 H new ATOM 0 HG2 ARG A 30 13.090 1.828 -12.277 1.00 0.21 H new ATOM 0 HG3 ARG A 30 14.256 2.678 -11.281 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.246 0.594 -10.527 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.968 -0.347 -11.270 1.00 0.32 H new ATOM 0 HE ARG A 30 15.161 1.182 -13.336 1.00 0.33 H new ATOM 0 HH11 ARG A 30 16.005 -1.410 -11.083 1.00 0.87 H new ATOM 0 HH12 ARG A 30 17.231 -2.097 -12.154 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.756 0.308 -14.692 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.654 -1.128 -14.189 1.00 0.51 H new ATOM 449 N SER A 31 10.791 0.111 -12.620 1.00 0.16 N ATOM 450 CA SER A 31 10.623 -1.079 -13.440 1.00 0.18 C ATOM 451 C SER A 31 11.937 -1.835 -13.556 1.00 0.20 C ATOM 452 O SER A 31 13.004 -1.238 -13.672 1.00 0.24 O ATOM 453 CB SER A 31 10.126 -0.690 -14.830 1.00 0.28 C ATOM 454 OG SER A 31 8.921 0.046 -14.756 1.00 0.75 O ATOM 0 H SER A 31 10.526 0.982 -13.080 1.00 0.16 H new ATOM 0 HA SER A 31 9.887 -1.727 -12.964 1.00 0.18 H new ATOM 0 HB2 SER A 31 10.887 -0.097 -15.338 1.00 0.28 H new ATOM 0 HB3 SER A 31 9.970 -1.588 -15.428 1.00 0.28 H new ATOM 0 HG SER A 31 9.067 0.860 -14.230 1.00 0.75 H new ATOM 460 N THR A 32 11.830 -3.156 -13.527 1.00 0.20 N ATOM 461 CA THR A 32 12.989 -4.040 -13.552 1.00 0.26 C ATOM 462 C THR A 32 13.834 -3.776 -14.795 1.00 0.30 C ATOM 463 O THR A 32 15.061 -3.836 -14.754 1.00 0.38 O ATOM 464 CB THR A 32 12.553 -5.519 -13.541 1.00 0.31 C ATOM 465 OG1 THR A 32 11.600 -5.735 -12.490 1.00 0.31 O ATOM 466 CG2 THR A 32 13.746 -6.440 -13.334 1.00 0.39 C ATOM 0 H THR A 32 10.937 -3.646 -13.485 1.00 0.20 H new ATOM 0 HA THR A 32 13.581 -3.837 -12.659 1.00 0.26 H new ATOM 0 HB THR A 32 12.101 -5.747 -14.507 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.324 -6.675 -12.487 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.409 -7.477 -13.331 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.463 -6.294 -14.142 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.222 -6.210 -12.381 1.00 0.39 H new ATOM 474 N ASP A 33 13.155 -3.465 -15.892 1.00 0.32 N ATOM 475 CA ASP A 33 13.794 -3.188 -17.156 1.00 0.39 C ATOM 476 C ASP A 33 14.175 -1.716 -17.269 1.00 0.37 C ATOM 477 O ASP A 33 14.853 -1.312 -18.216 1.00 0.44 O ATOM 478 CB ASP A 33 12.837 -3.556 -18.284 1.00 0.52 C ATOM 479 CG ASP A 33 12.514 -5.037 -18.336 1.00 1.60 C ATOM 480 OD1 ASP A 33 11.651 -5.493 -17.554 1.00 2.33 O ATOM 481 OD2 ASP A 33 13.116 -5.755 -19.162 1.00 2.07 O ATOM 0 H ASP A 33 12.138 -3.399 -15.921 1.00 0.32 H new ATOM 0 HA ASP A 33 14.707 -3.780 -17.225 1.00 0.39 H new ATOM 0 HB2 ASP A 33 11.911 -2.993 -18.164 1.00 0.52 H new ATOM 0 HB3 ASP A 33 13.274 -3.253 -19.235 1.00 0.52 H new ATOM 486 N GLY A 34 13.728 -0.913 -16.306 1.00 0.36 N ATOM 487 CA GLY A 34 14.008 0.508 -16.335 1.00 0.37 C ATOM 488 C GLY A 34 12.996 1.279 -17.158 1.00 0.42 C ATOM 489 O GLY A 34 13.272 2.388 -17.614 1.00 0.55 O ATOM 0 H GLY A 34 13.176 -1.224 -15.506 1.00 0.36 H new ATOM 0 HA2 GLY A 34 14.014 0.895 -15.316 1.00 0.37 H new ATOM 0 HA3 GLY A 34 15.005 0.671 -16.744 1.00 0.37 H new ATOM 493 N ASP A 35 11.825 0.686 -17.353 1.00 0.45 N ATOM 494 CA ASP A 35 10.786 1.283 -18.190 1.00 0.55 C ATOM 495 C ASP A 35 10.170 2.527 -17.552 1.00 0.46 C ATOM 496 O ASP A 35 10.168 3.603 -18.150 1.00 0.74 O ATOM 497 CB ASP A 35 9.698 0.261 -18.491 1.00 0.73 C ATOM 498 CG ASP A 35 8.660 0.787 -19.461 1.00 0.89 C ATOM 499 OD1 ASP A 35 8.906 0.742 -20.684 1.00 1.13 O ATOM 500 OD2 ASP A 35 7.590 1.243 -19.009 1.00 0.92 O ATOM 0 H ASP A 35 11.568 -0.212 -16.942 1.00 0.45 H new ATOM 0 HA ASP A 35 11.263 1.594 -19.119 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.154 -0.639 -18.904 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.208 -0.028 -17.561 1.00 0.73 H new ATOM 505 N LYS A 36 9.647 2.381 -16.345 1.00 0.34 N ATOM 506 CA LYS A 36 8.960 3.483 -15.679 1.00 0.34 C ATOM 507 C LYS A 36 9.227 3.464 -14.169 1.00 0.27 C ATOM 508 O LYS A 36 9.661 2.450 -13.617 1.00 0.34 O ATOM 509 CB LYS A 36 7.456 3.401 -15.963 1.00 0.55 C ATOM 510 CG LYS A 36 6.739 2.357 -15.137 1.00 0.92 C ATOM 511 CD LYS A 36 5.421 1.933 -15.744 1.00 0.90 C ATOM 512 CE LYS A 36 4.415 3.060 -15.706 1.00 1.25 C ATOM 513 NZ LYS A 36 4.512 3.952 -16.893 1.00 2.03 N ATOM 0 H LYS A 36 9.683 1.516 -15.806 1.00 0.34 H new ATOM 0 HA LYS A 36 9.345 4.424 -16.072 1.00 0.34 H new ATOM 0 HB2 LYS A 36 7.005 4.375 -15.773 1.00 0.55 H new ATOM 0 HB3 LYS A 36 7.306 3.182 -17.020 1.00 0.55 H new ATOM 0 HG2 LYS A 36 7.381 1.483 -15.028 1.00 0.92 H new ATOM 0 HG3 LYS A 36 6.563 2.751 -14.136 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.578 1.616 -16.775 1.00 0.90 H new ATOM 0 HD3 LYS A 36 5.028 1.073 -15.202 1.00 0.90 H new ATOM 0 HE2 LYS A 36 3.409 2.643 -15.650 1.00 1.25 H new ATOM 0 HE3 LYS A 36 4.567 3.648 -14.801 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 5.074 4.793 -16.650 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 4.972 3.442 -17.674 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 3.558 4.246 -17.185 1.00 2.03 H new ATOM 527 N VAL A 37 8.984 4.594 -13.513 1.00 0.22 N ATOM 528 CA VAL A 37 9.224 4.731 -12.074 1.00 0.21 C ATOM 529 C VAL A 37 8.021 5.390 -11.384 1.00 0.22 C ATOM 530 O VAL A 37 7.436 6.339 -11.912 1.00 0.32 O ATOM 531 CB VAL A 37 10.492 5.575 -11.796 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.749 5.702 -10.304 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.708 4.976 -12.488 1.00 0.55 C ATOM 0 H VAL A 37 8.618 5.437 -13.956 1.00 0.22 H new ATOM 0 HA VAL A 37 9.370 3.728 -11.672 1.00 0.21 H new ATOM 0 HB VAL A 37 10.318 6.572 -12.201 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.645 6.300 -10.139 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.897 6.187 -9.828 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.889 4.711 -9.873 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.585 5.588 -12.277 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.874 3.964 -12.120 1.00 0.55 H new ATOM 0 HG23 VAL A 37 11.537 4.947 -13.564 1.00 0.55 H new ATOM 543 N HIS A 38 7.650 4.873 -10.216 1.00 0.17 N ATOM 544 CA HIS A 38 6.543 5.414 -9.434 1.00 0.19 C ATOM 545 C HIS A 38 6.922 5.513 -7.958 1.00 0.17 C ATOM 546 O HIS A 38 7.141 4.498 -7.304 1.00 0.17 O ATOM 547 CB HIS A 38 5.321 4.516 -9.569 1.00 0.25 C ATOM 548 CG HIS A 38 4.047 5.174 -9.134 1.00 0.41 C ATOM 549 ND1 HIS A 38 3.181 5.782 -10.014 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.502 5.332 -7.906 1.00 0.56 C ATOM 551 CE1 HIS A 38 2.163 6.290 -9.347 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.330 6.032 -8.063 1.00 0.69 N ATOM 0 H HIS A 38 8.107 4.069 -9.786 1.00 0.17 H new ATOM 0 HA HIS A 38 6.316 6.410 -9.814 1.00 0.19 H new ATOM 0 HB2 HIS A 38 5.223 4.203 -10.608 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.475 3.614 -8.977 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.913 4.974 -6.974 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.332 6.827 -9.779 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.695 6.306 -7.313 1.00 0.69 H new ATOM 561 N THR A 39 6.976 6.721 -7.427 1.00 0.18 N ATOM 562 CA THR A 39 7.354 6.911 -6.034 1.00 0.17 C ATOM 563 C THR A 39 6.115 7.096 -5.133 1.00 0.19 C ATOM 564 O THR A 39 5.125 7.705 -5.540 1.00 0.30 O ATOM 565 CB THR A 39 8.286 8.130 -5.880 1.00 0.22 C ATOM 566 OG1 THR A 39 9.375 8.033 -6.812 1.00 0.23 O ATOM 567 CG2 THR A 39 8.842 8.214 -4.468 1.00 0.23 C ATOM 0 H THR A 39 6.765 7.581 -7.933 1.00 0.18 H new ATOM 0 HA THR A 39 7.883 6.011 -5.719 1.00 0.17 H new ATOM 0 HB THR A 39 7.704 9.029 -6.082 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.963 8.811 -6.711 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.496 9.082 -4.386 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.020 8.310 -3.758 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.409 7.310 -4.246 1.00 0.23 H new ATOM 575 N VAL A 40 6.173 6.540 -3.922 1.00 0.13 N ATOM 576 CA VAL A 40 5.117 6.700 -2.926 1.00 0.18 C ATOM 577 C VAL A 40 5.632 7.442 -1.685 1.00 0.11 C ATOM 578 O VAL A 40 6.655 7.069 -1.117 1.00 0.11 O ATOM 579 CB VAL A 40 4.571 5.324 -2.486 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.795 5.439 -1.191 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.693 4.714 -3.558 1.00 0.66 C ATOM 0 H VAL A 40 6.955 5.966 -3.606 1.00 0.13 H new ATOM 0 HA VAL A 40 4.322 7.283 -3.390 1.00 0.18 H new ATOM 0 HB VAL A 40 5.428 4.670 -2.326 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.421 4.457 -0.902 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.449 5.823 -0.408 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.956 6.121 -1.329 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.324 3.746 -3.219 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.849 5.375 -3.757 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.273 4.581 -4.471 1.00 0.66 H new ATOM 591 N VAL A 41 4.920 8.488 -1.272 1.00 0.10 N ATOM 592 CA VAL A 41 5.239 9.212 -0.049 1.00 0.10 C ATOM 593 C VAL A 41 4.486 8.603 1.125 1.00 0.08 C ATOM 594 O VAL A 41 3.269 8.736 1.236 1.00 0.09 O ATOM 595 CB VAL A 41 4.892 10.714 -0.154 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.331 11.463 1.103 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.526 11.322 -1.394 1.00 0.18 C ATOM 0 H VAL A 41 4.111 8.854 -1.774 1.00 0.10 H new ATOM 0 HA VAL A 41 6.314 9.126 0.107 1.00 0.10 H new ATOM 0 HB VAL A 41 3.810 10.809 -0.241 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.076 12.518 1.005 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.822 11.046 1.972 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.409 11.360 1.230 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.271 12.380 -1.452 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.609 11.212 -1.340 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.153 10.810 -2.281 1.00 0.18 H new ATOM 607 N LEU A 42 5.227 7.944 1.989 1.00 0.08 N ATOM 608 CA LEU A 42 4.685 7.270 3.175 1.00 0.09 C ATOM 609 C LEU A 42 3.849 8.199 4.052 1.00 0.10 C ATOM 610 O LEU A 42 2.973 7.741 4.775 1.00 0.12 O ATOM 611 CB LEU A 42 5.815 6.681 4.016 1.00 0.10 C ATOM 612 CG LEU A 42 6.360 5.321 3.563 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.440 4.218 4.051 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.520 5.248 2.048 1.00 0.10 C ATOM 0 H LEU A 42 6.239 7.853 1.897 1.00 0.08 H new ATOM 0 HA LEU A 42 4.033 6.478 2.807 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.640 7.393 4.028 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.463 6.584 5.043 1.00 0.10 H new ATOM 0 HG LEU A 42 7.351 5.192 3.998 1.00 0.10 H new ATOM 0 HD11 LEU A 42 5.828 3.252 3.729 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.387 4.243 5.139 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.443 4.366 3.636 1.00 0.12 H new ATOM 0 HD21 LEU A 42 6.908 4.268 1.770 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.552 5.403 1.572 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.214 6.021 1.718 1.00 0.10 H new ATOM 626 N SER A 43 4.122 9.494 4.005 1.00 0.12 N ATOM 627 CA SER A 43 3.348 10.439 4.798 1.00 0.15 C ATOM 628 C SER A 43 1.973 10.675 4.191 1.00 0.14 C ATOM 629 O SER A 43 0.996 10.864 4.909 1.00 0.17 O ATOM 630 CB SER A 43 4.080 11.756 4.947 1.00 0.20 C ATOM 631 OG SER A 43 5.152 11.624 5.854 1.00 1.06 O ATOM 0 H SER A 43 4.860 9.910 3.437 1.00 0.12 H new ATOM 0 HA SER A 43 3.218 9.999 5.787 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.455 12.083 3.977 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.391 12.524 5.298 1.00 0.20 H new ATOM 0 HG SER A 43 4.805 11.610 6.770 1.00 1.06 H new ATOM 637 N THR A 44 1.896 10.666 2.865 1.00 0.13 N ATOM 638 CA THR A 44 0.606 10.751 2.193 1.00 0.14 C ATOM 639 C THR A 44 -0.122 9.421 2.326 1.00 0.13 C ATOM 640 O THR A 44 -1.318 9.320 2.071 1.00 0.18 O ATOM 641 CB THR A 44 0.744 11.125 0.701 1.00 0.16 C ATOM 642 OG1 THR A 44 1.472 10.114 -0.014 1.00 0.17 O ATOM 643 CG2 THR A 44 1.451 12.463 0.548 1.00 0.20 C ATOM 0 H THR A 44 2.701 10.602 2.241 1.00 0.13 H new ATOM 0 HA THR A 44 0.035 11.545 2.674 1.00 0.14 H new ATOM 0 HB THR A 44 -0.260 11.200 0.283 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.090 9.662 0.598 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.539 12.709 -0.510 1.00 0.20 H new ATOM 0 HG22 THR A 44 0.876 13.238 1.055 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.446 12.402 0.990 1.00 0.20 H new ATOM 651 N ILE A 45 0.631 8.406 2.724 1.00 0.11 N ATOM 652 CA ILE A 45 0.099 7.089 3.001 1.00 0.12 C ATOM 653 C ILE A 45 -0.477 7.021 4.415 1.00 0.16 C ATOM 654 O ILE A 45 0.243 7.159 5.400 1.00 0.23 O ATOM 655 CB ILE A 45 1.202 6.029 2.841 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.760 6.054 1.416 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.683 4.651 3.185 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.732 5.753 0.333 1.00 0.10 C ATOM 0 H ILE A 45 1.639 8.479 2.864 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.702 6.889 2.289 1.00 0.12 H new ATOM 0 HB ILE A 45 2.008 6.267 3.535 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.194 7.036 1.226 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.570 5.328 1.343 1.00 0.10 H new ATOM 0 HG21 ILE A 45 1.483 3.920 3.064 1.00 0.16 H new ATOM 0 HG22 ILE A 45 0.336 4.640 4.218 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.144 4.398 2.522 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.212 5.792 -0.645 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.315 4.759 0.494 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.067 6.493 0.374 1.00 0.10 H new ATOM 670 N ASP A 46 -1.784 6.835 4.503 1.00 0.16 N ATOM 671 CA ASP A 46 -2.459 6.695 5.782 1.00 0.22 C ATOM 672 C ASP A 46 -2.199 5.329 6.396 1.00 0.22 C ATOM 673 O ASP A 46 -2.007 5.206 7.603 1.00 0.28 O ATOM 674 CB ASP A 46 -3.964 6.885 5.615 1.00 0.28 C ATOM 675 CG ASP A 46 -4.675 7.016 6.946 1.00 0.46 C ATOM 676 OD1 ASP A 46 -4.257 7.860 7.766 1.00 0.70 O ATOM 677 OD2 ASP A 46 -5.653 6.275 7.182 1.00 0.61 O ATOM 0 H ASP A 46 -2.403 6.777 3.695 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.062 7.463 6.446 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.152 7.776 5.015 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.377 6.038 5.066 1.00 0.28 H new ATOM 682 N LYS A 47 -2.190 4.306 5.561 1.00 0.21 N ATOM 683 CA LYS A 47 -2.062 2.942 6.039 1.00 0.27 C ATOM 684 C LYS A 47 -1.305 2.103 5.030 1.00 0.18 C ATOM 685 O LYS A 47 -1.241 2.449 3.863 1.00 0.20 O ATOM 686 CB LYS A 47 -3.451 2.336 6.259 1.00 0.41 C ATOM 687 CG LYS A 47 -3.445 1.112 7.161 1.00 1.07 C ATOM 688 CD LYS A 47 -2.859 1.418 8.529 1.00 1.01 C ATOM 689 CE LYS A 47 -3.676 2.461 9.265 1.00 1.60 C ATOM 690 NZ LYS A 47 -5.060 1.997 9.550 1.00 1.95 N ATOM 0 H LYS A 47 -2.270 4.394 4.548 1.00 0.21 H new ATOM 0 HA LYS A 47 -1.514 2.953 6.981 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.104 3.093 6.693 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.876 2.063 5.293 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.464 0.742 7.277 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -2.869 0.316 6.689 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -2.818 0.503 9.121 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -1.834 1.771 8.416 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -3.180 2.713 10.202 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -3.716 3.374 8.670 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.728 2.492 8.925 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -5.124 0.972 9.383 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -5.297 2.202 10.542 1.00 1.95 H new ATOM 704 N LEU A 48 -0.728 1.010 5.471 1.00 0.14 N ATOM 705 CA LEU A 48 -0.149 0.059 4.553 1.00 0.10 C ATOM 706 C LEU A 48 -0.749 -1.316 4.786 1.00 0.11 C ATOM 707 O LEU A 48 -1.066 -1.693 5.915 1.00 0.14 O ATOM 708 CB LEU A 48 1.368 -0.001 4.694 1.00 0.10 C ATOM 709 CG LEU A 48 1.997 -1.269 4.138 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.009 -1.254 2.630 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.395 -1.433 4.660 1.00 0.13 C ATOM 0 H LEU A 48 -0.647 0.758 6.456 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.377 0.388 3.539 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.803 0.860 4.186 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.627 0.087 5.749 1.00 0.10 H new ATOM 0 HG LEU A 48 1.392 -2.114 4.468 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.464 -2.173 2.261 1.00 0.12 H new ATOM 0 HD12 LEU A 48 0.987 -1.181 2.259 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.585 -0.397 2.279 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.831 -2.345 4.253 1.00 0.13 H new ATOM 0 HD22 LEU A 48 3.999 -0.577 4.359 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.372 -1.496 5.748 1.00 0.13 H new ATOM 723 N GLN A 49 -0.883 -2.047 3.707 1.00 0.10 N ATOM 724 CA GLN A 49 -1.435 -3.385 3.721 1.00 0.11 C ATOM 725 C GLN A 49 -0.438 -4.353 3.123 1.00 0.10 C ATOM 726 O GLN A 49 0.419 -3.967 2.330 1.00 0.12 O ATOM 727 CB GLN A 49 -2.728 -3.449 2.921 1.00 0.15 C ATOM 728 CG GLN A 49 -3.849 -2.579 3.472 1.00 0.27 C ATOM 729 CD GLN A 49 -4.295 -3.005 4.859 1.00 0.86 C ATOM 730 OE1 GLN A 49 -3.779 -2.528 5.864 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.258 -3.910 4.924 1.00 1.03 N ATOM 0 H GLN A 49 -0.608 -1.727 2.778 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.647 -3.655 4.756 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.521 -3.148 1.894 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -3.070 -4.483 2.887 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.515 -1.542 3.505 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.701 -2.618 2.793 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.664 -4.285 4.067 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.594 -4.233 5.831 1.00 1.03 H new ATOM 740 N ALA A 50 -0.567 -5.601 3.499 1.00 0.11 N ATOM 741 CA ALA A 50 0.336 -6.645 3.048 1.00 0.13 C ATOM 742 C ALA A 50 -0.294 -8.013 3.300 1.00 0.18 C ATOM 743 O ALA A 50 -0.928 -8.216 4.337 1.00 0.25 O ATOM 744 CB ALA A 50 1.669 -6.514 3.777 1.00 0.16 C ATOM 0 H ALA A 50 -1.301 -5.928 4.128 1.00 0.11 H new ATOM 0 HA ALA A 50 0.516 -6.543 1.978 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.347 -7.297 3.439 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.106 -5.539 3.563 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.508 -6.612 4.851 1.00 0.16 H new ATOM 750 N THR A 51 -0.161 -8.925 2.338 1.00 0.17 N ATOM 751 CA THR A 51 -0.660 -10.296 2.479 1.00 0.22 C ATOM 752 C THR A 51 -0.174 -10.905 3.784 1.00 0.33 C ATOM 753 O THR A 51 1.023 -10.902 4.084 1.00 0.37 O ATOM 754 CB THR A 51 -0.177 -11.188 1.321 1.00 0.21 C ATOM 755 OG1 THR A 51 1.239 -11.098 1.195 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.820 -10.801 0.003 1.00 0.20 C ATOM 0 H THR A 51 0.292 -8.738 1.444 1.00 0.17 H new ATOM 0 HA THR A 51 -1.749 -10.246 2.468 1.00 0.22 H new ATOM 0 HB THR A 51 -0.469 -12.212 1.555 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.541 -10.222 1.515 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.452 -11.455 -0.787 1.00 0.20 H new ATOM 0 HG22 THR A 51 -1.902 -10.902 0.083 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.569 -9.767 -0.235 1.00 0.20 H new ATOM 764 N PRO A 52 -1.114 -11.414 4.573 1.00 0.41 N ATOM 765 CA PRO A 52 -0.833 -12.052 5.863 1.00 0.54 C ATOM 766 C PRO A 52 -0.033 -13.336 5.702 1.00 0.61 C ATOM 767 O PRO A 52 0.063 -13.882 4.604 1.00 0.58 O ATOM 768 CB PRO A 52 -2.234 -12.363 6.400 1.00 0.64 C ATOM 769 CG PRO A 52 -3.086 -12.442 5.191 1.00 0.60 C ATOM 770 CD PRO A 52 -2.550 -11.413 4.260 1.00 0.45 C ATOM 0 HA PRO A 52 -0.234 -11.420 6.519 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -2.247 -13.300 6.956 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -2.580 -11.584 7.079 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -3.043 -13.436 4.745 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.131 -12.246 5.433 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -2.738 -11.672 3.218 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.002 -10.436 4.432 1.00 0.45 H new ATOM 778 N ALA A 53 0.537 -13.820 6.797 1.00 0.73 N ATOM 779 CA ALA A 53 1.238 -15.098 6.790 1.00 0.86 C ATOM 780 C ALA A 53 0.269 -16.225 6.441 1.00 0.91 C ATOM 781 O ALA A 53 0.670 -17.291 5.975 1.00 1.00 O ATOM 782 CB ALA A 53 1.891 -15.357 8.140 1.00 1.02 C ATOM 0 H ALA A 53 0.528 -13.348 7.701 1.00 0.73 H new ATOM 0 HA ALA A 53 2.021 -15.062 6.033 1.00 0.86 H new ATOM 0 HB1 ALA A 53 2.409 -16.315 8.115 1.00 1.02 H new ATOM 0 HB2 ALA A 53 2.606 -14.563 8.357 1.00 1.02 H new ATOM 0 HB3 ALA A 53 1.126 -15.378 8.916 1.00 1.02 H new ATOM 788 N SER A 54 -1.011 -15.967 6.681 1.00 0.89 N ATOM 789 CA SER A 54 -2.073 -16.898 6.343 1.00 0.98 C ATOM 790 C SER A 54 -2.332 -16.894 4.834 1.00 0.88 C ATOM 791 O SER A 54 -2.823 -17.877 4.277 1.00 0.97 O ATOM 792 CB SER A 54 -3.345 -16.508 7.098 1.00 1.07 C ATOM 793 OG SER A 54 -4.281 -17.570 7.132 1.00 1.58 O ATOM 0 H SER A 54 -1.339 -15.105 7.116 1.00 0.89 H new ATOM 0 HA SER A 54 -1.771 -17.904 6.633 1.00 0.98 H new ATOM 0 HB2 SER A 54 -3.089 -16.216 8.116 1.00 1.07 H new ATOM 0 HB3 SER A 54 -3.798 -15.639 6.622 1.00 1.07 H new ATOM 0 HG SER A 54 -5.080 -17.286 7.623 1.00 1.58 H new ATOM 799 N SER A 55 -1.989 -15.787 4.178 1.00 0.71 N ATOM 800 CA SER A 55 -2.162 -15.659 2.732 1.00 0.61 C ATOM 801 C SER A 55 -1.193 -16.598 2.015 1.00 0.63 C ATOM 802 O SER A 55 -0.099 -16.872 2.513 1.00 0.71 O ATOM 803 CB SER A 55 -1.904 -14.208 2.277 1.00 0.55 C ATOM 804 OG SER A 55 -2.078 -14.072 0.876 1.00 0.54 O ATOM 0 H SER A 55 -1.588 -14.963 4.627 1.00 0.71 H new ATOM 0 HA SER A 55 -3.189 -15.925 2.481 1.00 0.61 H new ATOM 0 HB2 SER A 55 -2.584 -13.534 2.798 1.00 0.55 H new ATOM 0 HB3 SER A 55 -0.891 -13.913 2.551 1.00 0.55 H new ATOM 0 HG SER A 55 -2.228 -13.129 0.655 1.00 0.54 H new ATOM 810 N GLU A 56 -1.601 -17.099 0.855 1.00 0.61 N ATOM 811 CA GLU A 56 -0.744 -17.957 0.045 1.00 0.69 C ATOM 812 C GLU A 56 0.077 -17.102 -0.897 1.00 0.60 C ATOM 813 O GLU A 56 0.968 -17.583 -1.599 1.00 0.70 O ATOM 814 CB GLU A 56 -1.567 -18.935 -0.776 1.00 0.80 C ATOM 815 CG GLU A 56 -2.755 -19.509 -0.040 1.00 1.19 C ATOM 816 CD GLU A 56 -3.973 -18.615 -0.133 1.00 2.20 C ATOM 817 OE1 GLU A 56 -4.597 -18.565 -1.211 1.00 2.89 O ATOM 818 OE2 GLU A 56 -4.324 -17.974 0.878 1.00 2.66 O ATOM 0 H GLU A 56 -2.522 -16.925 0.453 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.095 -18.520 0.716 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -1.919 -18.431 -1.676 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -0.923 -19.753 -1.100 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -2.995 -20.490 -0.450 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -2.494 -19.657 1.008 1.00 1.19 H new ATOM 825 N LYS A 57 -0.253 -15.825 -0.911 1.00 0.46 N ATOM 826 CA LYS A 57 0.313 -14.894 -1.863 1.00 0.39 C ATOM 827 C LYS A 57 1.294 -13.954 -1.184 1.00 0.32 C ATOM 828 O LYS A 57 1.594 -14.095 0.004 1.00 0.39 O ATOM 829 CB LYS A 57 -0.809 -14.087 -2.506 1.00 0.41 C ATOM 830 CG LYS A 57 -2.039 -14.915 -2.848 1.00 0.56 C ATOM 831 CD LYS A 57 -1.735 -15.997 -3.861 1.00 0.89 C ATOM 832 CE LYS A 57 -1.327 -15.417 -5.203 1.00 1.84 C ATOM 833 NZ LYS A 57 -1.090 -16.472 -6.221 1.00 2.59 N ATOM 0 H LYS A 57 -0.920 -15.406 -0.263 1.00 0.46 H new ATOM 0 HA LYS A 57 0.850 -15.458 -2.626 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.100 -13.283 -1.830 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.433 -13.619 -3.415 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.433 -15.370 -1.939 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -2.818 -14.261 -3.240 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -0.936 -16.634 -3.483 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.613 -16.630 -3.991 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -2.106 -14.741 -5.557 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -0.421 -14.823 -5.080 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -0.814 -16.030 -7.121 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -0.329 -17.102 -5.897 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -1.961 -17.023 -6.359 1.00 2.59 H new ATOM 847 N MET A 58 1.799 -13.010 -1.959 1.00 0.27 N ATOM 848 CA MET A 58 2.668 -11.965 -1.451 1.00 0.25 C ATOM 849 C MET A 58 2.337 -10.656 -2.151 1.00 0.23 C ATOM 850 O MET A 58 2.614 -10.494 -3.337 1.00 0.29 O ATOM 851 CB MET A 58 4.149 -12.284 -1.698 1.00 0.29 C ATOM 852 CG MET A 58 4.443 -13.576 -2.468 1.00 0.42 C ATOM 853 SD MET A 58 3.606 -13.688 -4.067 1.00 1.78 S ATOM 854 CE MET A 58 4.103 -15.325 -4.596 1.00 1.53 C ATOM 0 H MET A 58 1.617 -12.947 -2.961 1.00 0.27 H new ATOM 0 HA MET A 58 2.504 -11.890 -0.376 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.593 -11.451 -2.244 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.654 -12.338 -0.733 1.00 0.29 H new ATOM 0 HG2 MET A 58 5.519 -13.655 -2.626 1.00 0.42 H new ATOM 0 HG3 MET A 58 4.148 -14.427 -1.855 1.00 0.42 H new ATOM 0 HE1 MET A 58 4.168 -15.352 -5.684 1.00 1.53 H new ATOM 0 HE2 MET A 58 5.076 -15.566 -4.169 1.00 1.53 H new ATOM 0 HE3 MET A 58 3.368 -16.055 -4.258 1.00 1.53 H new ATOM 864 N MET A 59 1.760 -9.723 -1.421 1.00 0.20 N ATOM 865 CA MET A 59 1.331 -8.456 -2.001 1.00 0.21 C ATOM 866 C MET A 59 1.245 -7.359 -0.944 1.00 0.18 C ATOM 867 O MET A 59 0.801 -7.600 0.174 1.00 0.26 O ATOM 868 CB MET A 59 -0.031 -8.603 -2.693 1.00 0.27 C ATOM 869 CG MET A 59 0.011 -9.152 -4.115 1.00 0.64 C ATOM 870 SD MET A 59 -0.434 -10.901 -4.208 1.00 1.30 S ATOM 871 CE MET A 59 -2.159 -10.838 -3.727 1.00 0.62 C ATOM 0 H MET A 59 1.575 -9.814 -0.422 1.00 0.20 H new ATOM 0 HA MET A 59 2.081 -8.172 -2.739 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.658 -9.258 -2.088 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.516 -7.627 -2.713 1.00 0.27 H new ATOM 0 HG2 MET A 59 -0.669 -8.576 -4.742 1.00 0.64 H new ATOM 0 HG3 MET A 59 1.013 -9.015 -4.522 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.692 -11.679 -4.171 1.00 0.62 H new ATOM 0 HE2 MET A 59 -2.236 -10.893 -2.641 1.00 0.62 H new ATOM 0 HE3 MET A 59 -2.600 -9.904 -4.076 1.00 0.62 H new ATOM 881 N LEU A 60 1.674 -6.163 -1.310 1.00 0.12 N ATOM 882 CA LEU A 60 1.493 -4.972 -0.474 1.00 0.10 C ATOM 883 C LEU A 60 0.481 -4.005 -1.108 1.00 0.10 C ATOM 884 O LEU A 60 0.289 -4.004 -2.324 1.00 0.13 O ATOM 885 CB LEU A 60 2.812 -4.226 -0.307 1.00 0.13 C ATOM 886 CG LEU A 60 3.499 -4.364 1.045 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.253 -5.669 1.168 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.450 -3.220 1.245 1.00 0.14 C ATOM 0 H LEU A 60 2.157 -5.983 -2.190 1.00 0.12 H new ATOM 0 HA LEU A 60 1.127 -5.312 0.495 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.501 -4.572 -1.078 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.632 -3.167 -0.493 1.00 0.13 H new ATOM 0 HG LEU A 60 2.724 -4.352 1.811 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.727 -5.724 2.148 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.560 -6.502 1.053 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.017 -5.723 0.392 1.00 0.12 H new ATOM 0 HD21 LEU A 60 4.941 -3.320 2.213 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.201 -3.228 0.455 1.00 0.14 H new ATOM 0 HD23 LEU A 60 3.900 -2.280 1.213 1.00 0.14 H new ATOM 900 N ARG A 61 -0.147 -3.178 -0.279 1.00 0.10 N ATOM 901 CA ARG A 61 -0.975 -2.070 -0.757 1.00 0.11 C ATOM 902 C ARG A 61 -0.859 -0.879 0.197 1.00 0.11 C ATOM 903 O ARG A 61 -1.293 -0.940 1.339 1.00 0.11 O ATOM 904 CB ARG A 61 -2.457 -2.461 -0.941 1.00 0.16 C ATOM 905 CG ARG A 61 -3.289 -1.330 -1.542 1.00 0.32 C ATOM 906 CD ARG A 61 -4.786 -1.589 -1.504 1.00 0.56 C ATOM 907 NE ARG A 61 -5.244 -2.683 -2.351 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.014 -2.507 -3.435 1.00 1.67 C ATOM 909 NH1 ARG A 61 -6.185 -1.295 -3.950 1.00 1.46 N ATOM 910 NH2 ARG A 61 -6.599 -3.543 -4.018 1.00 2.72 N ATOM 0 H ARG A 61 -0.099 -3.253 0.737 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.598 -1.795 -1.742 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.521 -3.337 -1.586 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.877 -2.744 0.024 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -3.075 -0.407 -1.003 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.982 -1.174 -2.576 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -5.077 -1.800 -0.475 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -5.305 -0.678 -1.801 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.964 -3.633 -2.106 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -5.729 -0.490 -3.521 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -6.772 -1.169 -4.775 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.465 -4.482 -3.643 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -7.183 -3.402 -4.842 1.00 2.72 H new ATOM 924 N LEU A 62 -0.276 0.203 -0.292 1.00 0.11 N ATOM 925 CA LEU A 62 -0.054 1.407 0.498 1.00 0.11 C ATOM 926 C LEU A 62 -1.227 2.373 0.343 1.00 0.15 C ATOM 927 O LEU A 62 -1.424 2.959 -0.714 1.00 0.19 O ATOM 928 CB LEU A 62 1.270 2.077 0.083 1.00 0.12 C ATOM 929 CG LEU A 62 2.527 1.333 0.526 1.00 0.20 C ATOM 930 CD1 LEU A 62 2.850 0.196 -0.434 1.00 0.90 C ATOM 931 CD2 LEU A 62 3.702 2.279 0.643 1.00 0.86 C ATOM 0 H LEU A 62 0.059 0.273 -1.253 1.00 0.11 H new ATOM 0 HA LEU A 62 0.016 1.129 1.550 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.287 2.177 -1.002 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.296 3.085 0.496 1.00 0.12 H new ATOM 0 HG LEU A 62 2.334 0.906 1.510 1.00 0.20 H new ATOM 0 HD11 LEU A 62 3.750 -0.320 -0.098 1.00 0.90 H new ATOM 0 HD12 LEU A 62 2.017 -0.507 -0.459 1.00 0.90 H new ATOM 0 HD13 LEU A 62 3.015 0.599 -1.433 1.00 0.90 H new ATOM 0 HD21 LEU A 62 4.585 1.725 0.960 1.00 0.86 H new ATOM 0 HD22 LEU A 62 3.893 2.743 -0.324 1.00 0.86 H new ATOM 0 HD23 LEU A 62 3.475 3.051 1.378 1.00 0.86 H new ATOM 943 N ILE A 63 -1.979 2.553 1.413 1.00 0.17 N ATOM 944 CA ILE A 63 -3.209 3.339 1.388 1.00 0.23 C ATOM 945 C ILE A 63 -2.897 4.802 1.623 1.00 0.21 C ATOM 946 O ILE A 63 -2.277 5.138 2.618 1.00 0.25 O ATOM 947 CB ILE A 63 -4.191 2.910 2.510 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.075 1.414 2.822 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.624 3.275 2.140 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.470 0.512 1.689 1.00 0.33 C ATOM 0 H ILE A 63 -1.758 2.160 2.328 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.663 3.174 0.411 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.917 3.455 3.413 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.046 1.193 3.105 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.699 1.186 3.686 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.296 2.966 2.940 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.700 4.353 1.999 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.902 2.768 1.216 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.358 -0.528 1.996 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.509 0.701 1.419 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.830 0.707 0.828 1.00 0.33 H new ATOM 962 N GLY A 64 -3.332 5.670 0.727 1.00 0.27 N ATOM 963 CA GLY A 64 -3.104 7.085 0.916 1.00 0.30 C ATOM 964 C GLY A 64 -4.226 7.726 1.694 1.00 0.35 C ATOM 965 O GLY A 64 -5.337 7.200 1.722 1.00 0.48 O ATOM 0 H GLY A 64 -3.837 5.423 -0.124 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -2.162 7.236 1.443 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -3.008 7.572 -0.054 1.00 0.30 H new ATOM 969 N LYS A 65 -3.945 8.845 2.347 1.00 0.30 N ATOM 970 CA LYS A 65 -4.977 9.565 3.068 1.00 0.33 C ATOM 971 C LYS A 65 -6.025 10.076 2.101 1.00 0.38 C ATOM 972 O LYS A 65 -5.702 10.631 1.049 1.00 0.41 O ATOM 973 CB LYS A 65 -4.415 10.751 3.857 1.00 0.34 C ATOM 974 CG LYS A 65 -3.737 10.387 5.172 1.00 0.36 C ATOM 975 CD LYS A 65 -2.246 10.173 5.016 1.00 0.40 C ATOM 976 CE LYS A 65 -1.567 10.031 6.369 1.00 0.43 C ATOM 977 NZ LYS A 65 -1.627 11.284 7.170 1.00 1.15 N ATOM 0 H LYS A 65 -3.018 9.269 2.391 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.418 8.863 3.776 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.697 11.278 3.229 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -5.227 11.447 4.065 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -3.913 11.180 5.899 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.191 9.481 5.572 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -2.065 9.279 4.419 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -1.810 11.012 4.474 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.041 9.224 6.927 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -0.525 9.747 6.221 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.913 11.248 7.925 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -1.438 12.100 6.553 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -2.572 11.381 7.592 1.00 1.15 H new ATOM 991 N VAL A 66 -7.276 9.877 2.460 1.00 0.42 N ATOM 992 CA VAL A 66 -8.376 10.414 1.687 1.00 0.51 C ATOM 993 C VAL A 66 -8.564 11.882 2.039 1.00 0.57 C ATOM 994 O VAL A 66 -8.127 12.340 3.099 1.00 0.61 O ATOM 995 CB VAL A 66 -9.677 9.617 1.936 1.00 0.57 C ATOM 996 CG1 VAL A 66 -10.083 9.671 3.399 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.813 10.097 1.042 1.00 0.69 C ATOM 0 H VAL A 66 -7.557 9.346 3.284 1.00 0.42 H new ATOM 0 HA VAL A 66 -8.141 10.324 0.626 1.00 0.51 H new ATOM 0 HB VAL A 66 -9.471 8.578 1.678 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -11.001 9.102 3.543 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.290 9.243 4.013 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.249 10.708 3.692 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.710 9.512 1.247 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -11.013 11.150 1.241 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -10.530 9.973 -0.003 1.00 0.69 H new ATOM 1294 N GLN A 85 -7.531 6.613 -1.927 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.718 6.077 -2.996 1.00 0.52 C ATOM 1296 C GLN A 85 -5.536 5.361 -2.396 1.00 0.43 C ATOM 1297 O GLN A 85 -4.931 5.822 -1.432 1.00 0.54 O ATOM 1298 CB GLN A 85 -6.287 7.180 -3.972 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.585 8.345 -3.302 1.00 0.85 C ATOM 1300 CD GLN A 85 -4.090 8.137 -3.165 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -3.526 8.645 -2.087 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -3.453 7.503 -4.009 1.00 0.97 N flip ATOM 0 HA GLN A 85 -7.302 5.364 -3.578 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -5.624 6.750 -4.722 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -7.166 7.551 -4.499 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.769 9.252 -3.878 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -6.016 8.502 -2.313 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -3.928 7.126 -4.829 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -2.451 7.355 -3.887 1.00 0.97 H new ATOM 1311 N ARG A 86 -5.233 4.218 -2.941 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.244 3.358 -2.347 1.00 0.27 C ATOM 1313 C ARG A 86 -3.423 2.643 -3.410 1.00 0.26 C ATOM 1314 O ARG A 86 -3.937 2.221 -4.442 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.922 2.391 -1.369 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.147 1.681 -1.912 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.792 0.850 -0.816 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.031 0.197 -1.243 1.00 1.21 N ATOM 1319 CZ ARG A 86 -8.636 -0.778 -0.555 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -8.134 -1.185 0.605 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -9.748 -1.333 -1.020 1.00 2.29 N ATOM 0 H ARG A 86 -5.656 3.858 -3.797 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.536 3.961 -1.779 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.194 1.641 -1.060 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -5.209 2.945 -0.475 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -6.861 2.410 -2.295 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -5.866 1.041 -2.748 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -6.085 0.091 -0.481 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -7.003 1.490 0.041 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.458 0.504 -2.117 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -7.286 -0.754 0.973 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -8.597 -1.928 1.128 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -10.144 -1.017 -1.905 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -10.206 -2.076 -0.493 1.00 2.29 H new ATOM 1335 N HIS A 87 -2.139 2.527 -3.132 1.00 0.19 N ATOM 1336 CA HIS A 87 -1.158 2.067 -4.099 1.00 0.18 C ATOM 1337 C HIS A 87 -0.773 0.622 -3.829 1.00 0.15 C ATOM 1338 O HIS A 87 -0.122 0.326 -2.838 1.00 0.14 O ATOM 1339 CB HIS A 87 0.086 2.955 -3.995 1.00 0.21 C ATOM 1340 CG HIS A 87 -0.187 4.407 -4.254 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.607 4.897 -5.473 1.00 0.41 N ATOM 1342 CD2 HIS A 87 -0.122 5.478 -3.425 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.788 6.202 -5.379 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.500 6.576 -4.148 1.00 0.47 N ATOM 0 H HIS A 87 -1.742 2.751 -2.220 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.586 2.127 -5.100 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.516 2.847 -2.999 1.00 0.21 H new ATOM 0 HB3 HIS A 87 0.834 2.603 -4.705 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.173 5.466 -2.386 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -1.116 6.853 -6.176 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.551 7.531 -3.792 1.00 0.47 H new ATOM 1353 N MET A 88 -1.145 -0.266 -4.723 1.00 0.16 N ATOM 1354 CA MET A 88 -0.866 -1.683 -4.536 1.00 0.15 C ATOM 1355 C MET A 88 0.281 -2.124 -5.413 1.00 0.20 C ATOM 1356 O MET A 88 0.361 -1.737 -6.578 1.00 0.30 O ATOM 1357 CB MET A 88 -2.082 -2.555 -4.858 1.00 0.20 C ATOM 1358 CG MET A 88 -1.724 -4.034 -4.942 1.00 0.23 C ATOM 1359 SD MET A 88 -3.074 -5.077 -5.520 1.00 0.32 S ATOM 1360 CE MET A 88 -4.028 -5.223 -4.020 1.00 0.42 C ATOM 0 H MET A 88 -1.640 -0.039 -5.586 1.00 0.16 H new ATOM 0 HA MET A 88 -0.607 -1.810 -3.485 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.844 -2.410 -4.092 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.517 -2.234 -5.805 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.872 -4.155 -5.611 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.407 -4.378 -3.957 1.00 0.23 H new ATOM 0 HE1 MET A 88 -4.115 -6.274 -3.745 1.00 0.42 H new ATOM 0 HE2 MET A 88 -3.530 -4.678 -3.218 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.023 -4.806 -4.179 1.00 0.42 H new ATOM 1370 N PHE A 89 1.171 -2.930 -4.858 1.00 0.18 N ATOM 1371 CA PHE A 89 2.162 -3.584 -5.661 1.00 0.28 C ATOM 1372 C PHE A 89 2.059 -5.083 -5.429 1.00 0.31 C ATOM 1373 O PHE A 89 1.812 -5.527 -4.309 1.00 0.43 O ATOM 1374 CB PHE A 89 3.552 -3.050 -5.319 1.00 0.34 C ATOM 1375 CG PHE A 89 3.681 -1.566 -5.517 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.189 -0.681 -4.572 1.00 0.93 C ATOM 1377 CD2 PHE A 89 4.290 -1.057 -6.647 1.00 0.81 C ATOM 1378 CE1 PHE A 89 3.304 0.684 -4.752 1.00 1.26 C ATOM 1379 CE2 PHE A 89 4.407 0.306 -6.831 1.00 1.17 C ATOM 1380 CZ PHE A 89 3.913 1.179 -5.884 1.00 1.33 C ATOM 0 H PHE A 89 1.219 -3.139 -3.861 1.00 0.18 H new ATOM 0 HA PHE A 89 1.992 -3.381 -6.718 1.00 0.28 H new ATOM 0 HB2 PHE A 89 3.782 -3.293 -4.282 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.292 -3.558 -5.937 1.00 0.34 H new ATOM 0 HD1 PHE A 89 2.709 -1.063 -3.683 1.00 0.93 H new ATOM 0 HD2 PHE A 89 4.679 -1.732 -7.395 1.00 0.81 H new ATOM 0 HE1 PHE A 89 2.917 1.362 -4.006 1.00 1.26 H new ATOM 0 HE2 PHE A 89 4.887 0.690 -7.719 1.00 1.17 H new ATOM 0 HZ PHE A 89 4.003 2.245 -6.029 1.00 1.33 H new ATOM 1390 N SER A 90 2.183 -5.857 -6.483 1.00 0.26 N ATOM 1391 CA SER A 90 2.136 -7.296 -6.366 1.00 0.26 C ATOM 1392 C SER A 90 3.551 -7.838 -6.262 1.00 0.23 C ATOM 1393 O SER A 90 4.386 -7.578 -7.118 1.00 0.24 O ATOM 1394 CB SER A 90 1.412 -7.900 -7.568 1.00 0.28 C ATOM 1395 OG SER A 90 0.160 -7.266 -7.785 1.00 0.94 O ATOM 0 H SER A 90 2.318 -5.513 -7.434 1.00 0.26 H new ATOM 0 HA SER A 90 1.584 -7.570 -5.467 1.00 0.26 H new ATOM 0 HB2 SER A 90 2.033 -7.799 -8.458 1.00 0.28 H new ATOM 0 HB3 SER A 90 1.259 -8.967 -7.405 1.00 0.28 H new ATOM 0 HG SER A 90 -0.281 -7.670 -8.561 1.00 0.94 H new ATOM 1401 N PHE A 91 3.823 -8.583 -5.213 1.00 0.21 N ATOM 1402 CA PHE A 91 5.177 -9.057 -4.957 1.00 0.21 C ATOM 1403 C PHE A 91 5.276 -10.543 -5.265 1.00 0.23 C ATOM 1404 O PHE A 91 4.268 -11.198 -5.506 1.00 0.28 O ATOM 1405 CB PHE A 91 5.555 -8.769 -3.495 1.00 0.30 C ATOM 1406 CG PHE A 91 5.528 -7.297 -3.160 1.00 0.63 C ATOM 1407 CD1 PHE A 91 4.346 -6.580 -3.149 1.00 0.99 C ATOM 1408 CD2 PHE A 91 6.693 -6.637 -2.835 1.00 0.91 C ATOM 1409 CE1 PHE A 91 4.341 -5.233 -2.820 1.00 1.29 C ATOM 1410 CE2 PHE A 91 6.688 -5.302 -2.510 1.00 1.20 C ATOM 1411 CZ PHE A 91 5.443 -4.581 -2.585 1.00 1.33 C ATOM 0 H PHE A 91 3.132 -8.876 -4.523 1.00 0.21 H new ATOM 0 HA PHE A 91 5.877 -8.531 -5.606 1.00 0.21 H new ATOM 0 HB2 PHE A 91 4.867 -9.299 -2.836 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.552 -9.163 -3.298 1.00 0.30 H new ATOM 0 HD1 PHE A 91 3.418 -7.073 -3.399 1.00 0.99 H new ATOM 0 HD2 PHE A 91 7.627 -7.179 -2.836 1.00 0.91 H new ATOM 0 HE1 PHE A 91 3.398 -4.711 -2.757 1.00 1.29 H new ATOM 0 HE2 PHE A 91 7.597 -4.804 -2.205 1.00 1.20 H new ATOM 0 HZ PHE A 91 5.424 -3.510 -2.448 1.00 1.33 H new ATOM 1421 N ASN A 92 6.494 -11.064 -5.308 1.00 0.31 N ATOM 1422 CA ASN A 92 6.706 -12.450 -5.705 1.00 0.39 C ATOM 1423 C ASN A 92 7.246 -13.277 -4.554 1.00 0.35 C ATOM 1424 O ASN A 92 7.368 -14.496 -4.657 1.00 0.42 O ATOM 1425 CB ASN A 92 7.675 -12.528 -6.887 1.00 0.51 C ATOM 1426 CG ASN A 92 7.034 -12.171 -8.219 1.00 0.80 C ATOM 1427 OD1 ASN A 92 6.098 -11.374 -8.287 1.00 1.53 O ATOM 1428 ND2 ASN A 92 7.537 -12.765 -9.291 1.00 1.27 N ATOM 0 H ASN A 92 7.345 -10.553 -5.075 1.00 0.31 H new ATOM 0 HA ASN A 92 5.739 -12.857 -6.002 1.00 0.39 H new ATOM 0 HB2 ASN A 92 8.514 -11.856 -6.704 1.00 0.51 H new ATOM 0 HB3 ASN A 92 8.082 -13.537 -6.947 1.00 0.51 H new ATOM 0 HD21 ASN A 92 7.148 -12.568 -10.213 1.00 1.27 H new ATOM 0 HD22 ASN A 92 8.313 -13.420 -9.194 1.00 1.27 H new ATOM 1435 N ASN A 93 7.570 -12.620 -3.451 1.00 0.30 N ATOM 1436 CA ASN A 93 8.151 -13.314 -2.318 1.00 0.32 C ATOM 1437 C ASN A 93 7.559 -12.811 -1.010 1.00 0.28 C ATOM 1438 O ASN A 93 7.606 -11.618 -0.703 1.00 0.23 O ATOM 1439 CB ASN A 93 9.668 -13.114 -2.335 1.00 0.37 C ATOM 1440 CG ASN A 93 10.414 -13.964 -1.317 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.883 -14.325 -0.269 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.668 -14.265 -1.612 1.00 0.83 N ATOM 0 H ASN A 93 7.441 -11.617 -3.319 1.00 0.30 H new ATOM 0 HA ASN A 93 7.923 -14.377 -2.394 1.00 0.32 H new ATOM 0 HB2 ASN A 93 10.044 -13.345 -3.332 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.888 -12.063 -2.147 1.00 0.37 H new ATOM 0 HD21 ASN A 93 12.228 -14.814 -0.960 1.00 0.83 H new ATOM 0 HD22 ASN A 93 12.075 -13.948 -2.492 1.00 0.83 H new ATOM 1449 N ARG A 94 6.995 -13.756 -0.259 1.00 0.34 N ATOM 1450 CA ARG A 94 6.397 -13.499 1.047 1.00 0.37 C ATOM 1451 C ARG A 94 7.383 -12.811 1.982 1.00 0.30 C ATOM 1452 O ARG A 94 7.011 -11.904 2.716 1.00 0.27 O ATOM 1453 CB ARG A 94 5.916 -14.825 1.652 1.00 0.57 C ATOM 1454 CG ARG A 94 5.792 -14.820 3.161 1.00 0.90 C ATOM 1455 CD ARG A 94 4.635 -13.969 3.624 1.00 0.71 C ATOM 1456 NE ARG A 94 4.577 -13.910 5.081 1.00 0.99 N ATOM 1457 CZ ARG A 94 4.272 -12.822 5.779 1.00 1.35 C ATOM 1458 NH1 ARG A 94 3.903 -11.711 5.159 1.00 2.16 N ATOM 1459 NH2 ARG A 94 4.328 -12.854 7.104 1.00 1.70 N ATOM 0 H ARG A 94 6.941 -14.733 -0.546 1.00 0.34 H new ATOM 0 HA ARG A 94 5.548 -12.828 0.918 1.00 0.37 H new ATOM 0 HB2 ARG A 94 4.946 -15.075 1.222 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.608 -15.615 1.360 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.658 -15.841 3.518 1.00 0.90 H new ATOM 0 HG3 ARG A 94 6.717 -14.447 3.601 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.736 -12.962 3.220 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.701 -14.376 3.236 1.00 0.71 H new ATOM 0 HE ARG A 94 4.785 -14.764 5.599 1.00 0.99 H new ATOM 0 HH11 ARG A 94 3.852 -11.688 4.141 1.00 2.16 H new ATOM 0 HH12 ARG A 94 3.670 -10.878 5.700 1.00 2.16 H new ATOM 0 HH21 ARG A 94 4.604 -13.712 7.582 1.00 1.70 H new ATOM 0 HH22 ARG A 94 4.095 -12.021 7.645 1.00 1.70 H new ATOM 1473 N THR A 95 8.634 -13.227 1.930 1.00 0.30 N ATOM 1474 CA THR A 95 9.645 -12.683 2.814 1.00 0.27 C ATOM 1475 C THR A 95 9.983 -11.251 2.424 1.00 0.21 C ATOM 1476 O THR A 95 9.851 -10.338 3.232 1.00 0.18 O ATOM 1477 CB THR A 95 10.916 -13.547 2.796 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.606 -14.875 3.245 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.986 -12.936 3.683 1.00 0.32 C ATOM 0 H THR A 95 8.974 -13.940 1.285 1.00 0.30 H new ATOM 0 HA THR A 95 9.240 -12.687 3.826 1.00 0.27 H new ATOM 0 HB THR A 95 11.296 -13.592 1.775 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.418 -15.423 3.230 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.879 -13.560 3.659 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.232 -11.937 3.322 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.617 -12.871 4.706 1.00 0.32 H new ATOM 1487 N VAL A 96 10.404 -11.068 1.177 1.00 0.23 N ATOM 1488 CA VAL A 96 10.683 -9.746 0.626 1.00 0.21 C ATOM 1489 C VAL A 96 9.577 -8.766 0.960 1.00 0.19 C ATOM 1490 O VAL A 96 9.827 -7.718 1.546 1.00 0.19 O ATOM 1491 CB VAL A 96 10.807 -9.797 -0.908 1.00 0.25 C ATOM 1492 CG1 VAL A 96 11.017 -8.399 -1.468 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.947 -10.714 -1.321 1.00 0.29 C ATOM 0 H VAL A 96 10.562 -11.832 0.520 1.00 0.23 H new ATOM 0 HA VAL A 96 11.623 -9.419 1.071 1.00 0.21 H new ATOM 0 HB VAL A 96 9.880 -10.198 -1.317 1.00 0.25 H new ATOM 0 HG11 VAL A 96 11.103 -8.451 -2.553 1.00 0.28 H new ATOM 0 HG12 VAL A 96 10.169 -7.769 -1.201 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.930 -7.974 -1.052 1.00 0.28 H new ATOM 0 HG21 VAL A 96 12.019 -10.738 -2.408 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.883 -10.342 -0.903 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.758 -11.721 -0.948 1.00 0.29 H new ATOM 1503 N MET A 97 8.357 -9.115 0.594 1.00 0.19 N ATOM 1504 CA MET A 97 7.233 -8.230 0.806 1.00 0.19 C ATOM 1505 C MET A 97 6.979 -8.030 2.293 1.00 0.17 C ATOM 1506 O MET A 97 6.531 -6.966 2.695 1.00 0.19 O ATOM 1507 CB MET A 97 5.995 -8.761 0.086 1.00 0.21 C ATOM 1508 CG MET A 97 5.337 -9.969 0.732 1.00 0.22 C ATOM 1509 SD MET A 97 3.677 -9.624 1.334 1.00 0.29 S ATOM 1510 CE MET A 97 3.998 -9.210 3.035 1.00 0.17 C ATOM 0 H MET A 97 8.123 -10.003 0.150 1.00 0.19 H new ATOM 0 HA MET A 97 7.469 -7.254 0.383 1.00 0.19 H new ATOM 0 HB2 MET A 97 5.260 -7.959 0.022 1.00 0.21 H new ATOM 0 HB3 MET A 97 6.273 -9.022 -0.935 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.294 -10.783 0.008 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.955 -10.313 1.562 1.00 0.22 H new ATOM 0 HE1 MET A 97 3.082 -9.320 3.615 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.762 -9.877 3.434 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.347 -8.179 3.099 1.00 0.17 H new ATOM 1520 N ASP A 98 7.310 -9.031 3.115 1.00 0.16 N ATOM 1521 CA ASP A 98 7.133 -8.904 4.563 1.00 0.16 C ATOM 1522 C ASP A 98 8.164 -7.933 5.112 1.00 0.15 C ATOM 1523 O ASP A 98 7.941 -7.242 6.106 1.00 0.22 O ATOM 1524 CB ASP A 98 7.262 -10.255 5.264 1.00 0.21 C ATOM 1525 CG ASP A 98 6.913 -10.169 6.736 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.716 -10.022 7.061 1.00 0.38 O ATOM 1527 OD2 ASP A 98 7.833 -10.257 7.578 1.00 0.39 O ATOM 0 H ASP A 98 7.696 -9.924 2.808 1.00 0.16 H new ATOM 0 HA ASP A 98 6.128 -8.527 4.754 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.608 -10.979 4.778 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.282 -10.624 5.155 1.00 0.21 H new ATOM 1532 N ASN A 99 9.282 -7.874 4.421 1.00 0.12 N ATOM 1533 CA ASN A 99 10.356 -6.954 4.749 1.00 0.13 C ATOM 1534 C ASN A 99 9.992 -5.564 4.258 1.00 0.15 C ATOM 1535 O ASN A 99 10.282 -4.558 4.904 1.00 0.24 O ATOM 1536 CB ASN A 99 11.651 -7.431 4.086 1.00 0.22 C ATOM 1537 CG ASN A 99 12.097 -8.783 4.600 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.604 -9.617 3.706 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 11.950 -9.094 5.784 1.00 0.50 N flip ATOM 0 H ASN A 99 9.475 -8.464 3.612 1.00 0.12 H new ATOM 0 HA ASN A 99 10.503 -6.921 5.829 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.505 -7.485 3.007 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.439 -6.699 4.265 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.555 -8.422 6.442 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.223 -10.023 6.105 1.00 0.50 H new ATOM 1546 N ILE A 100 9.340 -5.531 3.109 1.00 0.12 N ATOM 1547 CA ILE A 100 8.851 -4.293 2.521 1.00 0.12 C ATOM 1548 C ILE A 100 7.782 -3.650 3.401 1.00 0.11 C ATOM 1549 O ILE A 100 7.903 -2.479 3.763 1.00 0.13 O ATOM 1550 CB ILE A 100 8.271 -4.550 1.112 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.373 -4.994 0.161 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.599 -3.307 0.561 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.404 -3.919 -0.079 1.00 0.11 C ATOM 0 H ILE A 100 9.134 -6.362 2.555 1.00 0.12 H new ATOM 0 HA ILE A 100 9.698 -3.611 2.442 1.00 0.12 H new ATOM 0 HB ILE A 100 7.524 -5.339 1.199 1.00 0.11 H new ATOM 0 HG12 ILE A 100 9.864 -5.878 0.568 1.00 0.13 H new ATOM 0 HG13 ILE A 100 8.930 -5.286 -0.791 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.201 -3.518 -0.431 1.00 0.12 H new ATOM 0 HG22 ILE A 100 6.786 -3.009 1.223 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.327 -2.499 0.495 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.165 -4.291 -0.765 1.00 0.11 H new ATOM 0 HD12 ILE A 100 9.922 -3.043 -0.513 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.871 -3.645 0.867 1.00 0.11 H new ATOM 1565 N LYS A 101 6.744 -4.412 3.761 1.00 0.11 N ATOM 1566 CA LYS A 101 5.687 -3.891 4.584 1.00 0.12 C ATOM 1567 C LYS A 101 6.238 -3.404 5.921 1.00 0.11 C ATOM 1568 O LYS A 101 5.891 -2.325 6.373 1.00 0.14 O ATOM 1569 CB LYS A 101 4.618 -4.944 4.826 1.00 0.18 C ATOM 1570 CG LYS A 101 5.197 -6.288 5.124 1.00 0.89 C ATOM 1571 CD LYS A 101 4.322 -7.142 6.026 1.00 0.75 C ATOM 1572 CE LYS A 101 4.717 -6.984 7.487 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.274 -8.143 8.308 1.00 1.11 N ATOM 0 H LYS A 101 6.628 -5.388 3.488 1.00 0.11 H new ATOM 0 HA LYS A 101 5.238 -3.050 4.055 1.00 0.12 H new ATOM 0 HB2 LYS A 101 3.986 -4.632 5.657 1.00 0.18 H new ATOM 0 HB3 LYS A 101 3.977 -5.015 3.947 1.00 0.18 H new ATOM 0 HG2 LYS A 101 5.364 -6.818 4.186 1.00 0.89 H new ATOM 0 HG3 LYS A 101 6.172 -6.158 5.595 1.00 0.89 H new ATOM 0 HD2 LYS A 101 3.277 -6.860 5.897 1.00 0.75 H new ATOM 0 HD3 LYS A 101 4.408 -8.189 5.735 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.799 -6.878 7.561 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.279 -6.068 7.885 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.576 -8.006 9.294 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.237 -8.219 8.271 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 4.698 -9.016 7.934 1.00 1.11 H new ATOM 1587 N MET A 102 7.134 -4.188 6.529 1.00 0.09 N ATOM 1588 CA MET A 102 7.645 -3.867 7.859 1.00 0.09 C ATOM 1589 C MET A 102 8.503 -2.617 7.790 1.00 0.09 C ATOM 1590 O MET A 102 8.646 -1.890 8.768 1.00 0.12 O ATOM 1591 CB MET A 102 8.431 -5.049 8.454 1.00 0.10 C ATOM 1592 CG MET A 102 9.821 -5.267 7.868 1.00 0.16 C ATOM 1593 SD MET A 102 11.096 -4.218 8.602 1.00 0.88 S ATOM 1594 CE MET A 102 11.079 -4.813 10.291 1.00 1.17 C ATOM 0 H MET A 102 7.516 -5.042 6.123 1.00 0.09 H new ATOM 0 HA MET A 102 6.801 -3.676 8.521 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.528 -4.896 9.529 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.848 -5.959 8.313 1.00 0.10 H new ATOM 0 HG2 MET A 102 10.102 -6.312 8.002 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.785 -5.082 6.794 1.00 0.16 H new ATOM 0 HE1 MET A 102 12.053 -4.638 10.748 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.312 -4.283 10.856 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.862 -5.881 10.298 1.00 1.17 H new ATOM 1604 N THR A 103 9.062 -2.376 6.618 1.00 0.08 N ATOM 1605 CA THR A 103 9.797 -1.163 6.357 1.00 0.08 C ATOM 1606 C THR A 103 8.857 0.031 6.411 1.00 0.08 C ATOM 1607 O THR A 103 9.092 1.000 7.134 1.00 0.09 O ATOM 1608 CB THR A 103 10.457 -1.228 4.969 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.484 -2.229 4.945 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.033 0.107 4.576 1.00 0.11 C ATOM 0 H THR A 103 9.017 -3.017 5.826 1.00 0.08 H new ATOM 0 HA THR A 103 10.571 -1.054 7.117 1.00 0.08 H new ATOM 0 HB THR A 103 9.684 -1.494 4.248 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.118 -3.081 5.262 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.492 0.029 3.591 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.238 0.852 4.548 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.786 0.407 5.305 1.00 0.11 H new ATOM 1618 N LEU A 104 7.772 -0.072 5.660 1.00 0.08 N ATOM 1619 CA LEU A 104 6.826 1.016 5.529 1.00 0.09 C ATOM 1620 C LEU A 104 6.041 1.215 6.810 1.00 0.11 C ATOM 1621 O LEU A 104 6.036 2.302 7.360 1.00 0.13 O ATOM 1622 CB LEU A 104 5.864 0.744 4.372 1.00 0.09 C ATOM 1623 CG LEU A 104 6.510 0.501 3.004 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.594 -0.303 2.114 1.00 0.11 C ATOM 1625 CD2 LEU A 104 6.839 1.806 2.328 1.00 0.11 C ATOM 0 H LEU A 104 7.527 -0.908 5.129 1.00 0.08 H new ATOM 0 HA LEU A 104 7.389 1.927 5.325 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.259 -0.126 4.626 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.183 1.591 4.285 1.00 0.09 H new ATOM 0 HG LEU A 104 7.431 -0.059 3.170 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.073 -0.463 1.148 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.387 -1.266 2.580 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.659 0.239 1.970 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.297 1.608 1.359 1.00 0.11 H new ATOM 0 HD22 LEU A 104 5.925 2.383 2.187 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.534 2.372 2.948 1.00 0.11 H new ATOM 1637 N GLN A 105 5.369 0.160 7.258 1.00 0.12 N ATOM 1638 CA GLN A 105 4.576 0.183 8.500 1.00 0.18 C ATOM 1639 C GLN A 105 5.285 0.896 9.638 1.00 0.18 C ATOM 1640 O GLN A 105 4.644 1.566 10.451 1.00 0.22 O ATOM 1641 CB GLN A 105 4.232 -1.221 8.951 1.00 0.28 C ATOM 1642 CG GLN A 105 3.446 -1.986 7.924 1.00 0.39 C ATOM 1643 CD GLN A 105 2.013 -1.525 7.762 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.666 -0.376 8.031 1.00 1.45 O ATOM 1645 NE2 GLN A 105 1.185 -2.425 7.260 1.00 0.99 N ATOM 0 H GLN A 105 5.353 -0.739 6.777 1.00 0.12 H new ATOM 0 HA GLN A 105 3.667 0.736 8.261 1.00 0.18 H new ATOM 0 HB2 GLN A 105 5.152 -1.761 9.175 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.659 -1.170 9.877 1.00 0.28 H new ATOM 0 HG2 GLN A 105 3.952 -1.904 6.962 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.447 -3.042 8.196 1.00 0.39 H new ATOM 0 HE21 GLN A 105 1.519 -3.366 7.053 1.00 0.99 H new ATOM 0 HE22 GLN A 105 0.212 -2.178 7.080 1.00 0.99 H new ATOM 1654 N GLN A 106 6.604 0.761 9.691 1.00 0.17 N ATOM 1655 CA GLN A 106 7.383 1.409 10.716 1.00 0.20 C ATOM 1656 C GLN A 106 7.291 2.907 10.526 1.00 0.20 C ATOM 1657 O GLN A 106 6.969 3.646 11.444 1.00 0.36 O ATOM 1658 CB GLN A 106 8.826 0.948 10.636 1.00 0.25 C ATOM 1659 CG GLN A 106 9.104 -0.345 11.383 1.00 0.30 C ATOM 1660 CD GLN A 106 10.568 -0.734 11.341 1.00 0.38 C ATOM 1661 OE1 GLN A 106 11.355 -0.337 12.202 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.943 -1.520 10.348 1.00 0.47 N ATOM 0 H GLN A 106 7.149 0.206 9.031 1.00 0.17 H new ATOM 0 HA GLN A 106 6.996 1.147 11.701 1.00 0.20 H new ATOM 0 HB2 GLN A 106 9.097 0.816 9.588 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.470 1.732 11.035 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.790 -0.236 12.421 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.505 -1.147 10.951 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.260 -1.827 9.655 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.915 -1.820 10.274 1.00 0.47 H new ATOM 1671 N ILE A 107 7.506 3.314 9.288 1.00 0.13 N ATOM 1672 CA ILE A 107 7.437 4.706 8.875 1.00 0.13 C ATOM 1673 C ILE A 107 6.044 5.262 9.103 1.00 0.14 C ATOM 1674 O ILE A 107 5.877 6.381 9.576 1.00 0.17 O ATOM 1675 CB ILE A 107 7.749 4.813 7.373 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.136 4.242 7.063 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.625 6.251 6.918 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.382 3.988 5.592 1.00 0.14 C ATOM 0 H ILE A 107 7.738 2.676 8.527 1.00 0.13 H new ATOM 0 HA ILE A 107 8.161 5.271 9.463 1.00 0.13 H new ATOM 0 HB ILE A 107 7.023 4.219 6.819 1.00 0.13 H new ATOM 0 HG12 ILE A 107 9.893 4.933 7.434 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.263 3.307 7.609 1.00 0.13 H new ATOM 0 HG21 ILE A 107 7.848 6.316 5.853 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.609 6.603 7.098 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.328 6.871 7.474 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.385 3.584 5.455 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.649 3.273 5.219 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.289 4.924 5.041 1.00 0.14 H new ATOM 1690 N ILE A 108 5.051 4.468 8.752 1.00 0.13 N ATOM 1691 CA ILE A 108 3.664 4.880 8.867 1.00 0.17 C ATOM 1692 C ILE A 108 3.322 5.146 10.328 1.00 0.23 C ATOM 1693 O ILE A 108 2.883 6.238 10.683 1.00 0.29 O ATOM 1694 CB ILE A 108 2.744 3.795 8.276 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.388 3.270 6.982 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.338 4.337 8.047 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.477 3.166 5.783 1.00 0.15 C ATOM 0 H ILE A 108 5.180 3.526 8.382 1.00 0.13 H new ATOM 0 HA ILE A 108 3.512 5.802 8.305 1.00 0.17 H new ATOM 0 HB ILE A 108 2.636 2.967 8.977 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.222 3.923 6.724 1.00 0.18 H new ATOM 0 HG13 ILE A 108 3.806 2.283 7.182 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.709 3.551 7.629 1.00 0.26 H new ATOM 0 HG22 ILE A 108 0.918 4.672 8.995 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.380 5.176 7.352 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.040 2.785 4.931 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.655 2.486 6.008 1.00 0.15 H new ATOM 0 HD13 ILE A 108 2.078 4.151 5.543 1.00 0.15 H new ATOM 1709 N SER A 109 3.563 4.152 11.171 1.00 0.28 N ATOM 1710 CA SER A 109 3.424 4.305 12.618 1.00 0.37 C ATOM 1711 C SER A 109 4.257 5.488 13.124 1.00 0.37 C ATOM 1712 O SER A 109 3.878 6.177 14.071 1.00 0.43 O ATOM 1713 CB SER A 109 3.871 3.019 13.310 1.00 0.45 C ATOM 1714 OG SER A 109 3.211 1.892 12.756 1.00 1.22 O ATOM 0 H SER A 109 3.859 3.221 10.877 1.00 0.28 H new ATOM 0 HA SER A 109 2.377 4.502 12.850 1.00 0.37 H new ATOM 0 HB2 SER A 109 4.950 2.901 13.207 1.00 0.45 H new ATOM 0 HB3 SER A 109 3.658 3.082 14.377 1.00 0.45 H new ATOM 0 HG SER A 109 3.678 1.607 11.943 1.00 1.22 H new ATOM 1720 N ARG A 110 5.380 5.724 12.459 1.00 0.33 N ATOM 1721 CA ARG A 110 6.298 6.796 12.814 1.00 0.35 C ATOM 1722 C ARG A 110 5.697 8.150 12.477 1.00 0.38 C ATOM 1723 O ARG A 110 6.000 9.153 13.120 1.00 0.48 O ATOM 1724 CB ARG A 110 7.619 6.603 12.066 1.00 0.34 C ATOM 1725 CG ARG A 110 8.585 5.672 12.743 1.00 1.27 C ATOM 1726 CD ARG A 110 9.760 5.394 11.832 1.00 1.25 C ATOM 1727 NE ARG A 110 10.650 4.363 12.359 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.526 3.690 11.616 1.00 2.70 C ATOM 1729 NH1 ARG A 110 11.671 3.981 10.329 1.00 1.97 N ATOM 1730 NH2 ARG A 110 12.261 2.736 12.165 1.00 3.79 N ATOM 0 H ARG A 110 5.681 5.174 11.654 1.00 0.33 H new ATOM 0 HA ARG A 110 6.482 6.764 13.888 1.00 0.35 H new ATOM 0 HB2 ARG A 110 7.405 6.222 11.068 1.00 0.34 H new ATOM 0 HB3 ARG A 110 8.097 7.575 11.941 1.00 0.34 H new ATOM 0 HG2 ARG A 110 8.934 6.113 13.677 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.084 4.738 12.999 1.00 1.27 H new ATOM 0 HD2 ARG A 110 9.391 5.085 10.854 1.00 1.25 H new ATOM 0 HD3 ARG A 110 10.325 6.314 11.683 1.00 1.25 H new ATOM 0 HE ARG A 110 10.597 4.146 13.354 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.111 4.722 9.907 1.00 1.97 H new ATOM 0 HH12 ARG A 110 12.343 3.464 9.762 1.00 1.97 H new ATOM 0 HH21 ARG A 110 12.156 2.517 13.156 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.933 2.219 11.597 1.00 3.79 H new ATOM 1744 N TYR A 111 4.831 8.172 11.480 1.00 0.34 N ATOM 1745 CA TYR A 111 4.229 9.412 11.047 1.00 0.41 C ATOM 1746 C TYR A 111 2.873 9.621 11.694 1.00 0.49 C ATOM 1747 O TYR A 111 2.416 10.749 11.841 1.00 0.60 O ATOM 1748 CB TYR A 111 4.137 9.478 9.531 1.00 0.37 C ATOM 1749 CG TYR A 111 5.366 10.108 8.924 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.613 11.471 9.050 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.288 9.336 8.253 1.00 0.34 C ATOM 1752 CE1 TYR A 111 6.752 12.041 8.511 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.432 9.891 7.713 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.660 11.244 7.844 1.00 0.48 C ATOM 1755 OH TYR A 111 8.799 11.801 7.304 1.00 0.55 O ATOM 0 H TYR A 111 4.532 7.347 10.959 1.00 0.34 H new ATOM 0 HA TYR A 111 4.876 10.226 11.373 1.00 0.41 H new ATOM 0 HB2 TYR A 111 4.008 8.473 9.130 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.255 10.051 9.245 1.00 0.37 H new ATOM 0 HD1 TYR A 111 4.905 12.093 9.577 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.113 8.276 8.147 1.00 0.34 H new ATOM 0 HE1 TYR A 111 6.929 13.102 8.611 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.144 9.268 7.191 1.00 0.40 H new ATOM 0 HH TYR A 111 9.438 11.091 7.084 1.00 0.55 H new ATOM 2059 N PHE B 261 -5.419 -8.455 2.450 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.178 -8.242 3.158 1.00 0.48 C ATOM 2061 C PHE B 261 -4.478 -7.978 4.627 1.00 0.66 C ATOM 2062 O PHE B 261 -5.642 -7.887 5.024 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.426 -7.049 2.562 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.181 -7.131 1.075 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.522 -8.262 0.347 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -2.621 -6.058 0.404 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.313 -8.318 -1.014 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -2.412 -6.108 -0.958 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.759 -7.238 -1.667 1.00 0.62 C ATOM 0 HA PHE B 261 -3.554 -9.131 3.064 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -3.990 -6.140 2.773 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.466 -6.953 3.069 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.957 -9.110 0.854 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -2.344 -5.171 0.954 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -3.583 -9.205 -1.567 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -1.977 -5.262 -1.469 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.597 -7.277 -2.734 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.438 -7.852 5.430 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.610 -7.562 6.840 1.00 0.67 C ATOM 2081 C VAL B 262 -2.860 -6.288 7.214 1.00 0.54 C ATOM 2082 O VAL B 262 -1.758 -6.033 6.721 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.130 -8.738 7.723 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -1.629 -8.950 7.596 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -3.522 -8.517 9.175 1.00 1.14 C ATOM 0 H VAL B 262 -2.468 -7.946 5.130 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.675 -7.418 7.021 1.00 0.67 H new ATOM 0 HB VAL B 262 -3.624 -9.642 7.368 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -1.324 -9.783 8.229 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -1.379 -9.172 6.558 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.106 -8.046 7.909 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -3.174 -9.356 9.777 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.067 -7.596 9.539 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -4.607 -8.440 9.251 1.00 1.14 H new ATOM 2095 N GLU B 263 -3.482 -5.473 8.053 1.00 0.57 N ATOM 2096 CA GLU B 263 -2.836 -4.286 8.578 1.00 0.55 C ATOM 2097 C GLU B 263 -1.845 -4.693 9.656 1.00 0.56 C ATOM 2098 O GLU B 263 -2.217 -5.336 10.642 1.00 0.62 O ATOM 2099 CB GLU B 263 -3.868 -3.321 9.159 1.00 0.73 C ATOM 2100 CG GLU B 263 -3.261 -2.014 9.637 1.00 1.21 C ATOM 2101 CD GLU B 263 -4.251 -1.144 10.380 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -5.234 -0.690 9.759 1.00 2.20 O ATOM 2103 OE2 GLU B 263 -4.064 -0.919 11.593 1.00 2.24 O ATOM 0 H GLU B 263 -4.436 -5.615 8.384 1.00 0.57 H new ATOM 0 HA GLU B 263 -2.313 -3.779 7.767 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -4.623 -3.108 8.403 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -4.378 -3.804 9.992 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -2.413 -2.229 10.288 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -2.873 -1.464 8.780 1.00 1.21 H new