USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1078 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 50 GLN : amide:sc= -0.0161 K(o=0.55,f=-2.1) USER MOD Set 1.2: A 87 HIS :FLIP no HD1:sc= 0.562 F(o=-1.9!,f=0.55) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl -145:sc= -0.148 (180deg=-0.541) USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0775) USER MOD Single : A 26 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.9!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 1.21 (180deg=0.895) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 67 THR OG1 : rot 145:sc= 1.26 USER MOD Single : A 71 TYR OH : rot 180:sc= 1.1 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.14) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 80 SER OG : rot 45:sc= 0.11 USER MOD Single : A 85 HIS : no HE2:sc= 0.897 K(o=0.9,f=-3.8!) USER MOD Single : A 90 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-8.2!) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.1) USER MOD Single : A 101 HIS : no HE2:sc= 0.851 K(o=0.85,f=-6.6!) USER MOD Single : A 103 HIS : +bothHN:sc= 0.304 K(o=0.3,f=-6.7!) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.142 F(o=-1.5!,f=-0.14) USER MOD Single : A 109 CYS SG : rot 180:sc= -2.09! USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl -142:sc= -0.301 (180deg=-0.935) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.479 -20.132 -11.640 1.00 0.00 N ATOM 2 CA GLY A 1 -20.869 -20.016 -11.137 1.00 0.00 C ATOM 3 C GLY A 1 -21.231 -18.588 -10.787 1.00 0.00 C ATOM 4 O GLY A 1 -21.679 -17.831 -11.649 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.274 -21.126 -11.867 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.370 -19.551 -12.496 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.817 -19.800 -10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.560 -20.390 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.989 -20.646 -10.256 1.00 0.00 H new ATOM 10 N PRO A 2 -21.056 -18.189 -9.520 1.00 0.00 N ATOM 11 CA PRO A 2 -21.330 -16.830 -9.069 1.00 0.00 C ATOM 12 C PRO A 2 -20.183 -15.868 -9.376 1.00 0.00 C ATOM 13 O PRO A 2 -19.116 -15.943 -8.765 1.00 0.00 O ATOM 14 CB PRO A 2 -21.509 -16.974 -7.549 1.00 0.00 C ATOM 15 CG PRO A 2 -21.314 -18.428 -7.237 1.00 0.00 C ATOM 16 CD PRO A 2 -20.601 -19.031 -8.413 1.00 0.00 C ATOM 0 HA PRO A 2 -22.200 -16.411 -9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -20.785 -16.361 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -22.500 -16.640 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.730 -18.553 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -22.272 -18.920 -7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -19.518 -18.995 -8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -20.871 -20.077 -8.560 1.00 0.00 H new ATOM 24 N LEU A 3 -20.403 -14.980 -10.335 1.00 0.00 N ATOM 25 CA LEU A 3 -19.430 -13.942 -10.655 1.00 0.00 C ATOM 26 C LEU A 3 -19.877 -12.620 -10.053 1.00 0.00 C ATOM 27 O LEU A 3 -19.255 -12.101 -9.128 1.00 0.00 O ATOM 28 CB LEU A 3 -19.250 -13.772 -12.172 1.00 0.00 C ATOM 29 CG LEU A 3 -18.534 -14.915 -12.904 1.00 0.00 C ATOM 30 CD1 LEU A 3 -19.433 -16.132 -13.042 1.00 0.00 C ATOM 31 CD2 LEU A 3 -18.064 -14.446 -14.272 1.00 0.00 C ATOM 0 H LEU A 3 -21.248 -14.956 -10.906 1.00 0.00 H new ATOM 0 HA LEU A 3 -18.472 -14.247 -10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -20.235 -13.642 -12.621 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -18.695 -12.851 -12.350 1.00 0.00 H new ATOM 0 HG LEU A 3 -17.668 -15.207 -12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -18.896 -16.924 -13.565 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -19.724 -16.483 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -20.325 -15.863 -13.608 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -17.557 -15.265 -14.783 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -18.923 -14.126 -14.862 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -17.374 -13.610 -14.153 1.00 0.00 H new ATOM 43 N GLY A 4 -20.993 -12.108 -10.557 1.00 0.00 N ATOM 44 CA GLY A 4 -21.507 -10.834 -10.095 1.00 0.00 C ATOM 45 C GLY A 4 -22.224 -10.951 -8.767 1.00 0.00 C ATOM 46 O GLY A 4 -22.698 -9.961 -8.213 1.00 0.00 O ATOM 0 H GLY A 4 -21.554 -12.556 -11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.684 -10.126 -10.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.191 -10.429 -10.840 1.00 0.00 H new ATOM 50 N SER A 5 -22.299 -12.171 -8.255 1.00 0.00 N ATOM 51 CA SER A 5 -22.921 -12.427 -6.967 1.00 0.00 C ATOM 52 C SER A 5 -21.978 -12.012 -5.841 1.00 0.00 C ATOM 53 O SER A 5 -22.364 -11.948 -4.674 1.00 0.00 O ATOM 54 CB SER A 5 -23.273 -13.908 -6.856 1.00 0.00 C ATOM 55 OG SER A 5 -23.934 -14.353 -8.032 1.00 0.00 O ATOM 0 H SER A 5 -21.933 -13.004 -8.717 1.00 0.00 H new ATOM 0 HA SER A 5 -23.836 -11.841 -6.882 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.366 -14.492 -6.698 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.912 -14.072 -5.989 1.00 0.00 H new ATOM 0 HG SER A 5 -24.151 -15.305 -7.945 1.00 0.00 H new ATOM 61 N MET A 6 -20.736 -11.732 -6.211 1.00 0.00 N ATOM 62 CA MET A 6 -19.740 -11.243 -5.274 1.00 0.00 C ATOM 63 C MET A 6 -19.301 -9.849 -5.692 1.00 0.00 C ATOM 64 O MET A 6 -19.287 -9.529 -6.882 1.00 0.00 O ATOM 65 CB MET A 6 -18.523 -12.172 -5.237 1.00 0.00 C ATOM 66 CG MET A 6 -18.827 -13.578 -4.747 1.00 0.00 C ATOM 67 SD MET A 6 -17.380 -14.653 -4.804 1.00 0.00 S ATOM 68 CE MET A 6 -18.030 -16.139 -4.046 1.00 0.00 C ATOM 0 H MET A 6 -20.394 -11.838 -7.166 1.00 0.00 H new ATOM 0 HA MET A 6 -20.182 -11.214 -4.278 1.00 0.00 H new ATOM 0 HB2 MET A 6 -18.096 -12.233 -6.238 1.00 0.00 H new ATOM 0 HB3 MET A 6 -17.763 -11.731 -4.592 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.201 -13.531 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A 6 -19.621 -14.009 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 6 -17.250 -16.900 -4.009 1.00 0.00 H new ATOM 0 HE2 MET A 6 -18.366 -15.914 -3.034 1.00 0.00 H new ATOM 0 HE3 MET A 6 -18.871 -16.509 -4.633 1.00 0.00 H new ATOM 78 N LYS A 7 -18.942 -9.022 -4.729 1.00 0.00 N ATOM 79 CA LYS A 7 -18.461 -7.690 -5.034 1.00 0.00 C ATOM 80 C LYS A 7 -17.047 -7.525 -4.523 1.00 0.00 C ATOM 81 O LYS A 7 -16.701 -8.033 -3.453 1.00 0.00 O ATOM 82 CB LYS A 7 -19.365 -6.613 -4.438 1.00 0.00 C ATOM 83 CG LYS A 7 -20.770 -6.613 -5.013 1.00 0.00 C ATOM 84 CD LYS A 7 -21.430 -5.250 -4.873 1.00 0.00 C ATOM 85 CE LYS A 7 -21.570 -4.816 -3.421 1.00 0.00 C ATOM 86 NZ LYS A 7 -22.170 -3.458 -3.312 1.00 0.00 N ATOM 0 H LYS A 7 -18.974 -9.248 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 7 -18.474 -7.569 -6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -19.423 -6.755 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -18.912 -5.636 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -20.733 -6.894 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -21.373 -7.364 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -20.843 -4.509 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -22.416 -5.278 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -22.191 -5.533 -2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -20.591 -4.821 -2.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -22.251 -3.194 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -21.564 -2.770 -3.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -23.115 -3.460 -3.747 1.00 0.00 H new ATOM 100 N MET A 8 -16.225 -6.840 -5.293 1.00 0.00 N ATOM 101 CA MET A 8 -14.854 -6.619 -4.900 1.00 0.00 C ATOM 102 C MET A 8 -14.684 -5.266 -4.237 1.00 0.00 C ATOM 103 O MET A 8 -15.318 -4.277 -4.613 1.00 0.00 O ATOM 104 CB MET A 8 -13.902 -6.751 -6.092 1.00 0.00 C ATOM 105 CG MET A 8 -13.681 -8.189 -6.540 1.00 0.00 C ATOM 106 SD MET A 8 -12.412 -8.338 -7.815 1.00 0.00 S ATOM 107 CE MET A 8 -13.076 -7.264 -9.085 1.00 0.00 C ATOM 0 H MET A 8 -16.484 -6.430 -6.190 1.00 0.00 H new ATOM 0 HA MET A 8 -14.598 -7.391 -4.174 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.299 -6.176 -6.928 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.941 -6.310 -5.829 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.397 -8.793 -5.679 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.619 -8.595 -6.918 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.837 -7.671 -10.067 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.158 -7.195 -8.974 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.637 -6.271 -8.987 1.00 0.00 H new ATOM 117 N ILE A 9 -13.851 -5.259 -3.222 1.00 0.00 N ATOM 118 CA ILE A 9 -13.470 -4.051 -2.533 1.00 0.00 C ATOM 119 C ILE A 9 -12.059 -3.702 -2.950 1.00 0.00 C ATOM 120 O ILE A 9 -11.112 -4.390 -2.588 1.00 0.00 O ATOM 121 CB ILE A 9 -13.521 -4.249 -1.007 1.00 0.00 C ATOM 122 CG1 ILE A 9 -14.941 -4.604 -0.564 1.00 0.00 C ATOM 123 CG2 ILE A 9 -13.006 -3.028 -0.255 1.00 0.00 C ATOM 124 CD1 ILE A 9 -15.112 -4.649 0.938 1.00 0.00 C ATOM 0 H ILE A 9 -13.415 -6.102 -2.849 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.162 -3.250 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.858 -5.078 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.636 -3.874 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.211 -5.574 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.060 -3.212 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.971 -2.836 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.618 -2.161 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.143 -4.907 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -14.443 -5.400 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.874 -3.673 1.361 1.00 0.00 H new ATOM 136 N GLU A 10 -11.914 -2.647 -3.710 1.00 0.00 N ATOM 137 CA GLU A 10 -10.625 -2.320 -4.288 1.00 0.00 C ATOM 138 C GLU A 10 -9.863 -1.413 -3.344 1.00 0.00 C ATOM 139 O GLU A 10 -10.388 -0.395 -2.895 1.00 0.00 O ATOM 140 CB GLU A 10 -10.797 -1.628 -5.645 1.00 0.00 C ATOM 141 CG GLU A 10 -11.424 -2.501 -6.723 1.00 0.00 C ATOM 142 CD GLU A 10 -10.458 -3.517 -7.302 1.00 0.00 C ATOM 143 OE1 GLU A 10 -9.328 -3.132 -7.668 1.00 0.00 O ATOM 144 OE2 GLU A 10 -10.824 -4.702 -7.411 1.00 0.00 O ATOM 0 H GLU A 10 -12.666 -1.999 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 10 -10.067 -3.244 -4.441 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.414 -0.740 -5.510 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.821 -1.289 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -12.284 -3.024 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.797 -1.865 -7.526 1.00 0.00 H new ATOM 151 N VAL A 11 -8.641 -1.788 -3.025 1.00 0.00 N ATOM 152 CA VAL A 11 -7.808 -0.992 -2.149 1.00 0.00 C ATOM 153 C VAL A 11 -6.423 -0.864 -2.760 1.00 0.00 C ATOM 154 O VAL A 11 -5.826 -1.856 -3.179 1.00 0.00 O ATOM 155 CB VAL A 11 -7.690 -1.611 -0.734 1.00 0.00 C ATOM 156 CG1 VAL A 11 -6.838 -0.735 0.172 1.00 0.00 C ATOM 157 CG2 VAL A 11 -9.064 -1.834 -0.116 1.00 0.00 C ATOM 0 H VAL A 11 -8.201 -2.644 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.275 -0.013 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.201 -2.580 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.770 -1.191 1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.839 -0.637 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.294 0.251 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.950 -2.269 0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.586 -0.881 -0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.640 -2.512 -0.745 1.00 0.00 H new ATOM 167 N VAL A 12 -5.925 0.349 -2.833 1.00 0.00 N ATOM 168 CA VAL A 12 -4.598 0.584 -3.361 1.00 0.00 C ATOM 169 C VAL A 12 -3.646 0.957 -2.239 1.00 0.00 C ATOM 170 O VAL A 12 -3.982 1.756 -1.364 1.00 0.00 O ATOM 171 CB VAL A 12 -4.596 1.676 -4.455 1.00 0.00 C ATOM 172 CG1 VAL A 12 -5.090 1.108 -5.779 1.00 0.00 C ATOM 173 CG2 VAL A 12 -5.450 2.865 -4.030 1.00 0.00 C ATOM 0 H VAL A 12 -6.418 1.190 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.260 -0.342 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.571 2.022 -4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.082 1.891 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.437 0.293 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.106 0.732 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.435 3.622 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.475 2.535 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.051 3.289 -3.109 1.00 0.00 H new ATOM 183 N ALA A 13 -2.475 0.353 -2.256 1.00 0.00 N ATOM 184 CA ALA A 13 -1.465 0.608 -1.254 1.00 0.00 C ATOM 185 C ALA A 13 -0.241 1.209 -1.924 1.00 0.00 C ATOM 186 O ALA A 13 0.220 0.714 -2.956 1.00 0.00 O ATOM 187 CB ALA A 13 -1.107 -0.679 -0.519 1.00 0.00 C ATOM 0 H ALA A 13 -2.199 -0.327 -2.964 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.851 1.313 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.345 -0.469 0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.996 -1.079 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.723 -1.410 -1.231 1.00 0.00 H new ATOM 193 N ALA A 14 0.277 2.273 -1.349 1.00 0.00 N ATOM 194 CA ALA A 14 1.385 2.987 -1.946 1.00 0.00 C ATOM 195 C ALA A 14 2.674 2.643 -1.242 1.00 0.00 C ATOM 196 O ALA A 14 2.816 2.850 -0.036 1.00 0.00 O ATOM 197 CB ALA A 14 1.152 4.488 -1.888 1.00 0.00 C ATOM 0 H ALA A 14 -0.053 2.664 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 14 1.458 2.684 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.997 5.005 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.240 4.736 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.051 4.801 -0.849 1.00 0.00 H new ATOM 203 N ILE A 15 3.617 2.119 -1.996 1.00 0.00 N ATOM 204 CA ILE A 15 4.922 1.836 -1.460 1.00 0.00 C ATOM 205 C ILE A 15 5.827 3.013 -1.765 1.00 0.00 C ATOM 206 O ILE A 15 6.309 3.168 -2.892 1.00 0.00 O ATOM 207 CB ILE A 15 5.523 0.536 -2.040 1.00 0.00 C ATOM 208 CG1 ILE A 15 4.667 -0.666 -1.624 1.00 0.00 C ATOM 209 CG2 ILE A 15 6.965 0.356 -1.587 1.00 0.00 C ATOM 210 CD1 ILE A 15 5.387 -1.993 -1.718 1.00 0.00 C ATOM 0 H ILE A 15 3.500 1.882 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 15 4.832 1.686 -0.384 1.00 0.00 H new ATOM 0 HB ILE A 15 5.523 0.606 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.327 -0.520 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.777 -0.701 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.366 -0.566 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.562 1.201 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.001 0.304 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.716 -2.794 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.703 -2.163 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.261 -1.979 -1.067 1.00 0.00 H new ATOM 222 N ILE A 16 6.023 3.864 -0.773 1.00 0.00 N ATOM 223 CA ILE A 16 6.806 5.067 -0.953 1.00 0.00 C ATOM 224 C ILE A 16 8.241 4.787 -0.552 1.00 0.00 C ATOM 225 O ILE A 16 8.571 4.735 0.633 1.00 0.00 O ATOM 226 CB ILE A 16 6.229 6.233 -0.119 1.00 0.00 C ATOM 227 CG1 ILE A 16 4.729 6.374 -0.400 1.00 0.00 C ATOM 228 CG2 ILE A 16 6.960 7.537 -0.428 1.00 0.00 C ATOM 229 CD1 ILE A 16 4.061 7.482 0.375 1.00 0.00 C ATOM 0 H ILE A 16 5.648 3.741 0.167 1.00 0.00 H new ATOM 0 HA ILE A 16 6.770 5.363 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 16 6.374 6.014 0.939 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.585 6.552 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.235 5.431 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 16 6.536 8.343 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.018 7.426 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.849 7.775 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.002 7.517 0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.172 7.297 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.526 8.435 0.122 1.00 0.00 H new ATOM 241 N GLU A 17 9.081 4.586 -1.547 1.00 0.00 N ATOM 242 CA GLU A 17 10.442 4.158 -1.312 1.00 0.00 C ATOM 243 C GLU A 17 11.398 5.318 -1.528 1.00 0.00 C ATOM 244 O GLU A 17 11.620 5.753 -2.658 1.00 0.00 O ATOM 245 CB GLU A 17 10.793 2.998 -2.243 1.00 0.00 C ATOM 246 CG GLU A 17 12.198 2.453 -2.053 1.00 0.00 C ATOM 247 CD GLU A 17 12.588 1.485 -3.150 1.00 0.00 C ATOM 248 OE1 GLU A 17 12.492 1.865 -4.336 1.00 0.00 O ATOM 249 OE2 GLU A 17 12.978 0.343 -2.839 1.00 0.00 O ATOM 0 H GLU A 17 8.842 4.713 -2.530 1.00 0.00 H new ATOM 0 HA GLU A 17 10.535 3.818 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.078 2.191 -2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.679 3.328 -3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.907 3.280 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.264 1.951 -1.088 1.00 0.00 H new ATOM 256 N ARG A 18 11.948 5.825 -0.444 1.00 0.00 N ATOM 257 CA ARG A 18 12.898 6.911 -0.520 1.00 0.00 C ATOM 258 C ARG A 18 14.164 6.516 0.222 1.00 0.00 C ATOM 259 O ARG A 18 14.094 5.990 1.335 1.00 0.00 O ATOM 260 CB ARG A 18 12.306 8.197 0.060 1.00 0.00 C ATOM 261 CG ARG A 18 13.028 9.454 -0.401 1.00 0.00 C ATOM 262 CD ARG A 18 12.861 9.678 -1.901 1.00 0.00 C ATOM 263 NE ARG A 18 13.640 10.821 -2.372 1.00 0.00 N ATOM 264 CZ ARG A 18 14.659 10.735 -3.228 1.00 0.00 C ATOM 265 NH1 ARG A 18 15.038 9.555 -3.709 1.00 0.00 N ATOM 266 NH2 ARG A 18 15.302 11.831 -3.607 1.00 0.00 N ATOM 0 H ARG A 18 11.751 5.500 0.503 1.00 0.00 H new ATOM 0 HA ARG A 18 13.138 7.105 -1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.256 8.265 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.340 8.146 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.641 10.316 0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.088 9.375 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.171 8.782 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.807 9.838 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 18 13.388 11.746 -2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 18 14.548 8.707 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 18 15.818 9.498 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.017 12.741 -3.244 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.081 11.764 -4.262 1.00 0.00 H new ATOM 280 N ASP A 19 15.306 6.715 -0.433 1.00 0.00 N ATOM 281 CA ASP A 19 16.625 6.393 0.129 1.00 0.00 C ATOM 282 C ASP A 19 16.856 4.892 0.176 1.00 0.00 C ATOM 283 O ASP A 19 17.894 4.433 0.652 1.00 0.00 O ATOM 284 CB ASP A 19 16.817 6.970 1.539 1.00 0.00 C ATOM 285 CG ASP A 19 16.716 8.479 1.591 1.00 0.00 C ATOM 286 OD1 ASP A 19 17.680 9.157 1.182 1.00 0.00 O ATOM 287 OD2 ASP A 19 15.678 8.991 2.063 1.00 0.00 O ATOM 0 H ASP A 19 15.347 7.106 -1.374 1.00 0.00 H new ATOM 0 HA ASP A 19 17.354 6.855 -0.537 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.068 6.540 2.204 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.792 6.665 1.918 1.00 0.00 H new ATOM 292 N GLY A 20 15.901 4.122 -0.319 1.00 0.00 N ATOM 293 CA GLY A 20 16.014 2.683 -0.252 1.00 0.00 C ATOM 294 C GLY A 20 15.083 2.110 0.789 1.00 0.00 C ATOM 295 O GLY A 20 15.011 0.893 0.974 1.00 0.00 O ATOM 0 H GLY A 20 15.051 4.468 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.784 2.252 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 20 17.042 2.407 -0.016 1.00 0.00 H new ATOM 299 N LYS A 21 14.348 2.994 1.454 1.00 0.00 N ATOM 300 CA LYS A 21 13.465 2.597 2.533 1.00 0.00 C ATOM 301 C LYS A 21 12.014 2.862 2.159 1.00 0.00 C ATOM 302 O LYS A 21 11.727 3.726 1.334 1.00 0.00 O ATOM 303 CB LYS A 21 13.812 3.355 3.815 1.00 0.00 C ATOM 304 CG LYS A 21 15.274 3.252 4.207 1.00 0.00 C ATOM 305 CD LYS A 21 15.433 3.149 5.712 1.00 0.00 C ATOM 306 CE LYS A 21 16.886 2.963 6.111 1.00 0.00 C ATOM 307 NZ LYS A 21 17.719 4.142 5.753 1.00 0.00 N ATOM 0 H LYS A 21 14.350 3.995 1.260 1.00 0.00 H new ATOM 0 HA LYS A 21 13.598 1.529 2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.552 4.406 3.687 1.00 0.00 H new ATOM 0 HB3 LYS A 21 13.198 2.972 4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.720 2.379 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.814 4.125 3.841 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.039 4.050 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.843 2.311 6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.947 2.789 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.285 2.075 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.674 4.025 6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 17.779 4.223 4.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.287 5.004 6.143 1.00 0.00 H new ATOM 321 N ILE A 22 11.108 2.128 2.780 1.00 0.00 N ATOM 322 CA ILE A 22 9.686 2.244 2.493 1.00 0.00 C ATOM 323 C ILE A 22 8.987 3.002 3.615 1.00 0.00 C ATOM 324 O ILE A 22 9.406 2.933 4.771 1.00 0.00 O ATOM 325 CB ILE A 22 9.039 0.850 2.342 1.00 0.00 C ATOM 326 CG1 ILE A 22 9.925 -0.060 1.490 1.00 0.00 C ATOM 327 CG2 ILE A 22 7.653 0.963 1.716 1.00 0.00 C ATOM 328 CD1 ILE A 22 9.428 -1.482 1.425 1.00 0.00 C ATOM 0 H ILE A 22 11.334 1.437 3.495 1.00 0.00 H new ATOM 0 HA ILE A 22 9.574 2.788 1.555 1.00 0.00 H new ATOM 0 HB ILE A 22 8.937 0.414 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.984 0.344 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.937 -0.054 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.216 -0.031 1.619 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.016 1.579 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.735 1.421 0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.101 -2.075 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.395 -1.902 2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.428 -1.498 0.992 1.00 0.00 H new ATOM 340 N LEU A 23 7.943 3.741 3.271 1.00 0.00 N ATOM 341 CA LEU A 23 7.196 4.504 4.256 1.00 0.00 C ATOM 342 C LEU A 23 6.099 3.654 4.889 1.00 0.00 C ATOM 343 O LEU A 23 5.221 3.134 4.201 1.00 0.00 O ATOM 344 CB LEU A 23 6.581 5.752 3.622 1.00 0.00 C ATOM 345 CG LEU A 23 5.917 6.713 4.610 1.00 0.00 C ATOM 346 CD1 LEU A 23 6.949 7.305 5.558 1.00 0.00 C ATOM 347 CD2 LEU A 23 5.172 7.807 3.865 1.00 0.00 C ATOM 0 H LEU A 23 7.595 3.828 2.316 1.00 0.00 H new ATOM 0 HA LEU A 23 7.894 4.810 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.360 6.290 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.840 5.441 2.886 1.00 0.00 H new ATOM 0 HG LEU A 23 5.195 6.154 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.457 7.986 6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.432 6.503 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.699 7.851 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.705 8.482 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.872 8.365 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.404 7.360 3.235 1.00 0.00 H new ATOM 359 N LEU A 24 6.169 3.523 6.201 1.00 0.00 N ATOM 360 CA LEU A 24 5.160 2.796 6.958 1.00 0.00 C ATOM 361 C LEU A 24 4.427 3.743 7.899 1.00 0.00 C ATOM 362 O LEU A 24 5.047 4.586 8.553 1.00 0.00 O ATOM 363 CB LEU A 24 5.772 1.631 7.750 1.00 0.00 C ATOM 364 CG LEU A 24 6.243 0.428 6.920 1.00 0.00 C ATOM 365 CD1 LEU A 24 7.472 0.768 6.096 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.525 -0.761 7.824 1.00 0.00 C ATOM 0 H LEU A 24 6.920 3.913 6.771 1.00 0.00 H new ATOM 0 HA LEU A 24 4.451 2.375 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.621 2.010 8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.035 1.282 8.473 1.00 0.00 H new ATOM 0 HG LEU A 24 5.441 0.166 6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.778 -0.106 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.239 1.587 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.283 1.068 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.858 -1.606 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.303 -0.497 8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.616 -1.034 8.360 1.00 0.00 H new ATOM 378 N ALA A 25 3.111 3.609 7.953 1.00 0.00 N ATOM 379 CA ALA A 25 2.287 4.478 8.780 1.00 0.00 C ATOM 380 C ALA A 25 1.531 3.677 9.831 1.00 0.00 C ATOM 381 O ALA A 25 0.804 2.748 9.506 1.00 0.00 O ATOM 382 CB ALA A 25 1.321 5.263 7.912 1.00 0.00 C ATOM 0 H ALA A 25 2.589 2.904 7.432 1.00 0.00 H new ATOM 0 HA ALA A 25 2.942 5.178 9.299 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.710 5.910 8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.882 5.872 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.677 4.572 7.368 1.00 0.00 H new ATOM 388 N GLN A 26 1.727 4.030 11.090 1.00 0.00 N ATOM 389 CA GLN A 26 1.087 3.321 12.195 1.00 0.00 C ATOM 390 C GLN A 26 -0.419 3.583 12.241 1.00 0.00 C ATOM 391 O GLN A 26 -0.857 4.730 12.399 1.00 0.00 O ATOM 392 CB GLN A 26 1.733 3.725 13.519 1.00 0.00 C ATOM 393 CG GLN A 26 1.316 2.857 14.691 1.00 0.00 C ATOM 394 CD GLN A 26 2.184 3.083 15.910 1.00 0.00 C ATOM 395 OE1 GLN A 26 3.217 2.438 16.072 1.00 0.00 O ATOM 396 NE2 GLN A 26 1.771 3.988 16.781 1.00 0.00 N ATOM 0 H GLN A 26 2.325 4.805 11.377 1.00 0.00 H new ATOM 0 HA GLN A 26 1.230 2.253 12.032 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.817 3.680 13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.477 4.762 13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.277 3.067 14.944 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.368 1.808 14.400 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.907 4.503 16.610 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.316 4.171 17.623 1.00 0.00 H new ATOM 405 N ARG A 27 -1.197 2.510 12.106 1.00 0.00 N ATOM 406 CA ARG A 27 -2.658 2.579 12.145 1.00 0.00 C ATOM 407 C ARG A 27 -3.262 1.176 12.189 1.00 0.00 C ATOM 408 O ARG A 27 -3.032 0.372 11.292 1.00 0.00 O ATOM 409 CB ARG A 27 -3.193 3.322 10.914 1.00 0.00 C ATOM 410 CG ARG A 27 -4.708 3.260 10.753 1.00 0.00 C ATOM 411 CD ARG A 27 -5.434 4.095 11.797 1.00 0.00 C ATOM 412 NE ARG A 27 -6.889 3.949 11.698 1.00 0.00 N ATOM 413 CZ ARG A 27 -7.687 4.799 11.045 1.00 0.00 C ATOM 414 NH1 ARG A 27 -7.179 5.854 10.427 1.00 0.00 N ATOM 415 NH2 ARG A 27 -8.998 4.594 11.017 1.00 0.00 N ATOM 0 H ARG A 27 -0.833 1.568 11.966 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.945 3.121 13.046 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.888 4.367 10.974 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.727 2.905 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.980 3.610 9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.037 2.223 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.106 3.797 12.793 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.165 5.144 11.674 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.320 3.147 12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.173 6.022 10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.794 6.499 9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.398 3.786 11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.605 5.244 10.518 1.00 0.00 H new ATOM 429 N PRO A 28 -4.005 0.847 13.255 1.00 0.00 N ATOM 430 CA PRO A 28 -4.788 -0.374 13.318 1.00 0.00 C ATOM 431 C PRO A 28 -6.250 -0.120 12.946 1.00 0.00 C ATOM 432 O PRO A 28 -6.567 0.837 12.237 1.00 0.00 O ATOM 433 CB PRO A 28 -4.656 -0.736 14.790 1.00 0.00 C ATOM 434 CG PRO A 28 -4.692 0.581 15.482 1.00 0.00 C ATOM 435 CD PRO A 28 -4.108 1.599 14.518 1.00 0.00 C ATOM 0 HA PRO A 28 -4.455 -1.151 12.630 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.470 -1.383 15.118 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.726 -1.268 14.990 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.714 0.847 15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.115 0.548 16.406 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.752 2.472 14.415 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.135 1.959 14.853 1.00 0.00 H new ATOM 443 N ALA A 29 -7.142 -0.954 13.457 1.00 0.00 N ATOM 444 CA ALA A 29 -8.556 -0.835 13.133 1.00 0.00 C ATOM 445 C ALA A 29 -9.372 -0.517 14.380 1.00 0.00 C ATOM 446 O ALA A 29 -9.662 0.646 14.666 1.00 0.00 O ATOM 447 CB ALA A 29 -9.063 -2.105 12.465 1.00 0.00 C ATOM 0 H ALA A 29 -6.914 -1.717 14.095 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.676 -0.010 12.431 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.122 -1.995 12.231 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.505 -2.280 11.546 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.926 -2.950 13.139 1.00 0.00 H new ATOM 453 N GLN A 30 -9.725 -1.551 15.130 1.00 0.00 N ATOM 454 CA GLN A 30 -10.466 -1.375 16.372 1.00 0.00 C ATOM 455 C GLN A 30 -9.599 -1.774 17.554 1.00 0.00 C ATOM 456 O GLN A 30 -10.079 -1.905 18.681 1.00 0.00 O ATOM 457 CB GLN A 30 -11.754 -2.201 16.359 1.00 0.00 C ATOM 458 CG GLN A 30 -12.770 -1.730 15.332 1.00 0.00 C ATOM 459 CD GLN A 30 -14.062 -2.522 15.382 1.00 0.00 C ATOM 460 OE1 GLN A 30 -14.986 -2.178 16.120 1.00 0.00 O ATOM 461 NE2 GLN A 30 -14.137 -3.582 14.592 1.00 0.00 N ATOM 0 H GLN A 30 -9.510 -2.521 14.901 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.737 -0.323 16.466 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.505 -3.243 16.159 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -12.208 -2.166 17.349 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.988 -0.675 15.500 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.337 -1.811 14.335 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -13.347 -3.831 13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -14.984 -4.149 14.579 1.00 0.00 H new ATOM 470 N SER A 31 -8.318 -1.964 17.278 1.00 0.00 N ATOM 471 CA SER A 31 -7.358 -2.344 18.292 1.00 0.00 C ATOM 472 C SER A 31 -7.052 -1.157 19.198 1.00 0.00 C ATOM 473 O SER A 31 -6.757 -0.063 18.718 1.00 0.00 O ATOM 474 CB SER A 31 -6.080 -2.835 17.613 1.00 0.00 C ATOM 475 OG SER A 31 -6.388 -3.708 16.537 1.00 0.00 O ATOM 0 H SER A 31 -7.919 -1.858 16.345 1.00 0.00 H new ATOM 0 HA SER A 31 -7.773 -3.144 18.904 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.508 -1.984 17.245 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.452 -3.352 18.339 1.00 0.00 H new ATOM 0 HG SER A 31 -5.558 -4.011 16.113 1.00 0.00 H new ATOM 481 N ASP A 32 -7.131 -1.376 20.502 1.00 0.00 N ATOM 482 CA ASP A 32 -6.840 -0.327 21.473 1.00 0.00 C ATOM 483 C ASP A 32 -5.330 -0.193 21.663 1.00 0.00 C ATOM 484 O ASP A 32 -4.848 0.660 22.409 1.00 0.00 O ATOM 485 CB ASP A 32 -7.516 -0.650 22.808 1.00 0.00 C ATOM 486 CG ASP A 32 -7.595 0.544 23.735 1.00 0.00 C ATOM 487 OD1 ASP A 32 -8.298 1.516 23.388 1.00 0.00 O ATOM 488 OD2 ASP A 32 -6.996 0.495 24.832 1.00 0.00 O ATOM 0 H ASP A 32 -7.394 -2.271 20.914 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.231 0.620 21.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.522 -1.023 22.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.967 -1.451 23.303 1.00 0.00 H new ATOM 493 N GLN A 33 -4.592 -1.052 20.979 1.00 0.00 N ATOM 494 CA GLN A 33 -3.139 -1.040 21.038 1.00 0.00 C ATOM 495 C GLN A 33 -2.550 -0.455 19.762 1.00 0.00 C ATOM 496 O GLN A 33 -3.245 -0.305 18.757 1.00 0.00 O ATOM 497 CB GLN A 33 -2.601 -2.453 21.251 1.00 0.00 C ATOM 498 CG GLN A 33 -3.189 -3.480 20.301 1.00 0.00 C ATOM 499 CD GLN A 33 -2.460 -4.804 20.377 1.00 0.00 C ATOM 500 OE1 GLN A 33 -1.494 -5.035 19.654 1.00 0.00 O ATOM 501 NE2 GLN A 33 -2.910 -5.678 21.260 1.00 0.00 N ATOM 0 H GLN A 33 -4.980 -1.773 20.371 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.843 -0.414 21.880 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.517 -2.441 21.134 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.807 -2.760 22.276 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.242 -3.632 20.537 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.143 -3.099 19.281 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.716 -5.447 21.841 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.452 -6.584 21.360 1.00 0.00 H new ATOM 510 N ALA A 34 -1.266 -0.140 19.803 1.00 0.00 N ATOM 511 CA ALA A 34 -0.583 0.421 18.652 1.00 0.00 C ATOM 512 C ALA A 34 0.676 -0.377 18.344 1.00 0.00 C ATOM 513 O ALA A 34 0.954 -1.393 18.984 1.00 0.00 O ATOM 514 CB ALA A 34 -0.249 1.888 18.898 1.00 0.00 C ATOM 0 H ALA A 34 -0.675 -0.264 20.625 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.244 0.362 17.788 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.263 2.296 18.026 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.169 2.446 19.073 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.398 1.972 19.771 1.00 0.00 H new ATOM 520 N GLY A 35 1.424 0.077 17.356 1.00 0.00 N ATOM 521 CA GLY A 35 2.670 -0.569 17.008 1.00 0.00 C ATOM 522 C GLY A 35 2.632 -1.191 15.638 1.00 0.00 C ATOM 523 O GLY A 35 3.660 -1.298 14.972 1.00 0.00 O ATOM 0 H GLY A 35 1.189 0.888 16.784 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.478 0.161 17.050 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.896 -1.338 17.747 1.00 0.00 H new ATOM 527 N LEU A 36 1.453 -1.617 15.209 1.00 0.00 N ATOM 528 CA LEU A 36 1.279 -2.150 13.874 1.00 0.00 C ATOM 529 C LEU A 36 1.233 -1.045 12.825 1.00 0.00 C ATOM 530 O LEU A 36 0.393 -0.142 12.884 1.00 0.00 O ATOM 531 CB LEU A 36 -0.009 -2.969 13.840 1.00 0.00 C ATOM 532 CG LEU A 36 -0.149 -3.959 14.999 1.00 0.00 C ATOM 533 CD1 LEU A 36 -1.155 -3.457 16.027 1.00 0.00 C ATOM 534 CD2 LEU A 36 -0.537 -5.326 14.482 1.00 0.00 C ATOM 0 H LEU A 36 0.602 -1.602 15.772 1.00 0.00 H new ATOM 0 HA LEU A 36 2.134 -2.782 13.634 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.860 -2.288 13.852 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.053 -3.518 12.899 1.00 0.00 H new ATOM 0 HG LEU A 36 0.818 -4.044 15.496 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.236 -4.179 16.840 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.821 -2.499 16.425 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.129 -3.334 15.553 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.632 -6.018 15.319 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.489 -5.259 13.956 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.231 -5.688 13.798 1.00 0.00 H new ATOM 546 N TRP A 37 2.162 -1.114 11.887 1.00 0.00 N ATOM 547 CA TRP A 37 2.219 -0.164 10.788 1.00 0.00 C ATOM 548 C TRP A 37 1.557 -0.748 9.542 1.00 0.00 C ATOM 549 O TRP A 37 1.460 -1.967 9.394 1.00 0.00 O ATOM 550 CB TRP A 37 3.677 0.207 10.491 1.00 0.00 C ATOM 551 CG TRP A 37 4.431 0.653 11.708 1.00 0.00 C ATOM 552 CD1 TRP A 37 3.922 1.316 12.785 1.00 0.00 C ATOM 553 CD2 TRP A 37 5.830 0.479 11.971 1.00 0.00 C ATOM 554 NE1 TRP A 37 4.906 1.549 13.708 1.00 0.00 N ATOM 555 CE2 TRP A 37 6.089 1.050 13.231 1.00 0.00 C ATOM 556 CE3 TRP A 37 6.888 -0.110 11.269 1.00 0.00 C ATOM 557 CZ2 TRP A 37 7.360 1.052 13.801 1.00 0.00 C ATOM 558 CZ3 TRP A 37 8.148 -0.105 11.836 1.00 0.00 C ATOM 559 CH2 TRP A 37 8.375 0.472 13.091 1.00 0.00 C ATOM 0 H TRP A 37 2.893 -1.825 11.865 1.00 0.00 H new ATOM 0 HA TRP A 37 1.677 0.737 11.076 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.183 -0.654 10.053 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.699 1.002 9.746 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.890 1.615 12.894 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.779 2.018 14.605 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.722 -0.560 10.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.538 1.496 14.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 8.972 -0.554 11.302 1.00 0.00 H new ATOM 0 HH2 TRP A 37 9.372 0.459 13.507 1.00 0.00 H new ATOM 570 N GLU A 38 1.102 0.129 8.664 1.00 0.00 N ATOM 571 CA GLU A 38 0.472 -0.273 7.413 1.00 0.00 C ATOM 572 C GLU A 38 1.083 0.504 6.256 1.00 0.00 C ATOM 573 O GLU A 38 1.774 1.509 6.469 1.00 0.00 O ATOM 574 CB GLU A 38 -1.038 -0.010 7.455 1.00 0.00 C ATOM 575 CG GLU A 38 -1.384 1.413 7.879 1.00 0.00 C ATOM 576 CD GLU A 38 -2.742 1.885 7.395 1.00 0.00 C ATOM 577 OE1 GLU A 38 -3.766 1.420 7.927 1.00 0.00 O ATOM 578 OE2 GLU A 38 -2.779 2.772 6.508 1.00 0.00 O ATOM 0 H GLU A 38 1.158 1.139 8.796 1.00 0.00 H new ATOM 0 HA GLU A 38 0.640 -1.341 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.462 -0.203 6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.504 -0.712 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.355 1.475 8.967 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.619 2.091 7.501 1.00 0.00 H new ATOM 585 N PHE A 39 0.845 0.039 5.041 1.00 0.00 N ATOM 586 CA PHE A 39 1.258 0.770 3.858 1.00 0.00 C ATOM 587 C PHE A 39 0.156 1.737 3.446 1.00 0.00 C ATOM 588 O PHE A 39 -0.956 1.320 3.125 1.00 0.00 O ATOM 589 CB PHE A 39 1.594 -0.189 2.713 1.00 0.00 C ATOM 590 CG PHE A 39 2.906 -0.881 2.874 1.00 0.00 C ATOM 591 CD1 PHE A 39 3.206 -1.568 4.031 1.00 0.00 C ATOM 592 CD2 PHE A 39 3.831 -0.854 1.853 1.00 0.00 C ATOM 593 CE1 PHE A 39 4.413 -2.215 4.173 1.00 0.00 C ATOM 594 CE2 PHE A 39 5.039 -1.496 1.985 1.00 0.00 C ATOM 595 CZ PHE A 39 5.335 -2.181 3.147 1.00 0.00 C ATOM 0 H PHE A 39 0.368 -0.842 4.849 1.00 0.00 H new ATOM 0 HA PHE A 39 2.160 1.336 4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.806 -0.938 2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.599 0.367 1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.486 -1.599 4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.604 -0.323 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.638 -2.748 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.757 -1.465 1.179 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.283 -2.687 3.252 1.00 0.00 H new ATOM 605 N ALA A 40 0.473 3.027 3.471 1.00 0.00 N ATOM 606 CA ALA A 40 -0.511 4.070 3.207 1.00 0.00 C ATOM 607 C ALA A 40 -1.173 3.892 1.847 1.00 0.00 C ATOM 608 O ALA A 40 -0.567 3.380 0.908 1.00 0.00 O ATOM 609 CB ALA A 40 0.134 5.439 3.303 1.00 0.00 C ATOM 0 H ALA A 40 1.410 3.377 3.673 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.289 3.987 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.613 6.208 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.541 5.580 4.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.938 5.515 2.570 1.00 0.00 H new ATOM 615 N GLY A 41 -2.413 4.335 1.749 1.00 0.00 N ATOM 616 CA GLY A 41 -3.173 4.168 0.534 1.00 0.00 C ATOM 617 C GLY A 41 -4.635 4.469 0.764 1.00 0.00 C ATOM 618 O GLY A 41 -4.970 5.465 1.403 1.00 0.00 O ATOM 0 H GLY A 41 -2.912 4.813 2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.779 4.828 -0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.061 3.147 0.168 1.00 0.00 H new ATOM 622 N GLY A 42 -5.502 3.604 0.270 1.00 0.00 N ATOM 623 CA GLY A 42 -6.920 3.804 0.473 1.00 0.00 C ATOM 624 C GLY A 42 -7.781 2.965 -0.442 1.00 0.00 C ATOM 625 O GLY A 42 -7.278 2.277 -1.334 1.00 0.00 O ATOM 0 H GLY A 42 -5.253 2.772 -0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.168 3.570 1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.157 4.857 0.318 1.00 0.00 H new ATOM 629 N LYS A 43 -9.082 3.013 -0.204 1.00 0.00 N ATOM 630 CA LYS A 43 -10.043 2.292 -1.019 1.00 0.00 C ATOM 631 C LYS A 43 -10.286 3.028 -2.334 1.00 0.00 C ATOM 632 O LYS A 43 -10.269 4.258 -2.381 1.00 0.00 O ATOM 633 CB LYS A 43 -11.353 2.109 -0.240 1.00 0.00 C ATOM 634 CG LYS A 43 -12.509 1.596 -1.080 1.00 0.00 C ATOM 635 CD LYS A 43 -13.704 1.220 -0.221 1.00 0.00 C ATOM 636 CE LYS A 43 -14.923 0.900 -1.072 1.00 0.00 C ATOM 637 NZ LYS A 43 -15.605 2.130 -1.556 1.00 0.00 N ATOM 0 H LYS A 43 -9.499 3.551 0.556 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.641 1.307 -1.257 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.180 1.415 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.636 3.064 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.804 2.360 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.185 0.727 -1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.453 0.357 0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.938 2.040 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.620 0.294 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.624 0.302 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.310 1.875 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.079 2.601 -0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.903 2.775 -1.972 1.00 0.00 H new ATOM 651 N VAL A 44 -10.513 2.267 -3.394 1.00 0.00 N ATOM 652 CA VAL A 44 -10.698 2.832 -4.717 1.00 0.00 C ATOM 653 C VAL A 44 -12.174 2.885 -5.058 1.00 0.00 C ATOM 654 O VAL A 44 -12.858 1.860 -5.046 1.00 0.00 O ATOM 655 CB VAL A 44 -9.980 2.000 -5.801 1.00 0.00 C ATOM 656 CG1 VAL A 44 -10.086 2.673 -7.162 1.00 0.00 C ATOM 657 CG2 VAL A 44 -8.531 1.778 -5.428 1.00 0.00 C ATOM 0 H VAL A 44 -10.573 1.249 -3.360 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.270 3.835 -4.700 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.472 1.030 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.572 2.067 -7.908 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.136 2.774 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.626 3.660 -7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.042 1.190 -6.204 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.029 2.740 -5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.477 1.244 -4.479 1.00 0.00 H new ATOM 667 N GLU A 45 -12.668 4.076 -5.331 1.00 0.00 N ATOM 668 CA GLU A 45 -14.012 4.224 -5.841 1.00 0.00 C ATOM 669 C GLU A 45 -14.001 3.926 -7.336 1.00 0.00 C ATOM 670 O GLU A 45 -13.070 4.315 -8.037 1.00 0.00 O ATOM 671 CB GLU A 45 -14.538 5.633 -5.567 1.00 0.00 C ATOM 672 CG GLU A 45 -14.532 6.003 -4.090 1.00 0.00 C ATOM 673 CD GLU A 45 -15.214 4.967 -3.225 1.00 0.00 C ATOM 674 OE1 GLU A 45 -16.419 4.712 -3.436 1.00 0.00 O ATOM 675 OE2 GLU A 45 -14.552 4.400 -2.328 1.00 0.00 O ATOM 0 H GLU A 45 -12.159 4.951 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.678 3.524 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.932 6.353 -6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.555 5.714 -5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.502 6.128 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.029 6.964 -3.959 1.00 0.00 H new ATOM 682 N PRO A 46 -15.018 3.217 -7.843 1.00 0.00 N ATOM 683 CA PRO A 46 -15.067 2.794 -9.248 1.00 0.00 C ATOM 684 C PRO A 46 -14.932 3.965 -10.222 1.00 0.00 C ATOM 685 O PRO A 46 -14.420 3.813 -11.332 1.00 0.00 O ATOM 686 CB PRO A 46 -16.451 2.140 -9.387 1.00 0.00 C ATOM 687 CG PRO A 46 -17.216 2.553 -8.175 1.00 0.00 C ATOM 688 CD PRO A 46 -16.198 2.767 -7.094 1.00 0.00 C ATOM 0 HA PRO A 46 -14.240 2.127 -9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.951 2.471 -10.297 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.367 1.055 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.782 3.465 -8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.935 1.786 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.527 3.513 -6.371 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.999 1.851 -6.538 1.00 0.00 H new ATOM 696 N ASP A 47 -15.396 5.128 -9.789 1.00 0.00 N ATOM 697 CA ASP A 47 -15.397 6.325 -10.619 1.00 0.00 C ATOM 698 C ASP A 47 -14.065 7.073 -10.581 1.00 0.00 C ATOM 699 O ASP A 47 -13.887 8.070 -11.283 1.00 0.00 O ATOM 700 CB ASP A 47 -16.540 7.243 -10.194 1.00 0.00 C ATOM 701 CG ASP A 47 -16.446 7.674 -8.743 1.00 0.00 C ATOM 702 OD1 ASP A 47 -16.509 6.801 -7.852 1.00 0.00 O ATOM 703 OD2 ASP A 47 -16.345 8.891 -8.485 1.00 0.00 O ATOM 0 H ASP A 47 -15.781 5.269 -8.855 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.543 6.007 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.544 8.128 -10.831 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.489 6.731 -10.354 1.00 0.00 H new ATOM 708 N GLU A 48 -13.133 6.597 -9.780 1.00 0.00 N ATOM 709 CA GLU A 48 -11.790 7.174 -9.767 1.00 0.00 C ATOM 710 C GLU A 48 -10.770 6.135 -10.225 1.00 0.00 C ATOM 711 O GLU A 48 -11.061 4.938 -10.243 1.00 0.00 O ATOM 712 CB GLU A 48 -11.425 7.740 -8.385 1.00 0.00 C ATOM 713 CG GLU A 48 -11.203 6.698 -7.304 1.00 0.00 C ATOM 714 CD GLU A 48 -10.946 7.324 -5.947 1.00 0.00 C ATOM 715 OE1 GLU A 48 -9.988 8.113 -5.816 1.00 0.00 O ATOM 716 OE2 GLU A 48 -11.717 7.047 -5.007 1.00 0.00 O ATOM 0 H GLU A 48 -13.271 5.820 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.775 8.011 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.520 8.340 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.220 8.412 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.077 6.049 -7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.356 6.068 -7.578 1.00 0.00 H new ATOM 723 N SER A 49 -9.587 6.583 -10.621 1.00 0.00 N ATOM 724 CA SER A 49 -8.566 5.679 -11.129 1.00 0.00 C ATOM 725 C SER A 49 -7.749 5.122 -9.976 1.00 0.00 C ATOM 726 O SER A 49 -7.656 5.748 -8.927 1.00 0.00 O ATOM 727 CB SER A 49 -7.654 6.418 -12.113 1.00 0.00 C ATOM 728 OG SER A 49 -6.580 5.600 -12.551 1.00 0.00 O ATOM 0 H SER A 49 -9.311 7.565 -10.600 1.00 0.00 H new ATOM 0 HA SER A 49 -9.050 4.853 -11.651 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.237 6.745 -12.974 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.257 7.315 -11.638 1.00 0.00 H new ATOM 0 HG SER A 49 -6.020 6.103 -13.178 1.00 0.00 H new ATOM 734 N GLN A 50 -7.156 3.953 -10.173 1.00 0.00 N ATOM 735 CA GLN A 50 -6.345 3.334 -9.135 1.00 0.00 C ATOM 736 C GLN A 50 -5.138 4.199 -8.797 1.00 0.00 C ATOM 737 O GLN A 50 -4.805 4.377 -7.625 1.00 0.00 O ATOM 738 CB GLN A 50 -5.889 1.944 -9.559 1.00 0.00 C ATOM 739 CG GLN A 50 -7.035 0.970 -9.773 1.00 0.00 C ATOM 740 CD GLN A 50 -6.563 -0.460 -9.936 1.00 0.00 C ATOM 741 OE1 GLN A 50 -5.549 -0.859 -9.367 1.00 0.00 O ATOM 742 NE2 GLN A 50 -7.294 -1.243 -10.712 1.00 0.00 N ATOM 0 H GLN A 50 -7.221 3.416 -11.038 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.965 3.241 -8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.314 2.024 -10.481 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.218 1.543 -8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.719 1.028 -8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.598 1.266 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.129 -0.874 -11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.023 -2.216 -10.856 1.00 0.00 H new ATOM 751 N ARG A 51 -4.488 4.751 -9.820 1.00 0.00 N ATOM 752 CA ARG A 51 -3.375 5.664 -9.585 1.00 0.00 C ATOM 753 C ARG A 51 -3.895 6.941 -8.953 1.00 0.00 C ATOM 754 O ARG A 51 -3.287 7.489 -8.038 1.00 0.00 O ATOM 755 CB ARG A 51 -2.635 6.035 -10.870 1.00 0.00 C ATOM 756 CG ARG A 51 -2.031 4.874 -11.639 1.00 0.00 C ATOM 757 CD ARG A 51 -1.160 5.398 -12.771 1.00 0.00 C ATOM 758 NE ARG A 51 -0.431 4.346 -13.469 1.00 0.00 N ATOM 759 CZ ARG A 51 0.714 4.553 -14.121 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.252 5.769 -14.152 1.00 0.00 N ATOM 761 NH2 ARG A 51 1.318 3.549 -14.744 1.00 0.00 N ATOM 0 H ARG A 51 -4.708 4.585 -10.802 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.676 5.148 -8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.327 6.562 -11.527 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.838 6.735 -10.620 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.436 4.253 -10.969 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.823 4.242 -12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.786 5.932 -13.485 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.448 6.119 -12.369 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.817 3.402 -13.458 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.789 6.544 -13.677 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.128 5.927 -14.651 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.907 2.616 -14.725 1.00 0.00 H new ATOM 0 HH22 ARG A 51 2.194 3.711 -15.242 1.00 0.00 H new ATOM 775 N GLN A 52 -5.052 7.381 -9.431 1.00 0.00 N ATOM 776 CA GLN A 52 -5.642 8.635 -8.993 1.00 0.00 C ATOM 777 C GLN A 52 -6.045 8.537 -7.532 1.00 0.00 C ATOM 778 O GLN A 52 -5.874 9.484 -6.764 1.00 0.00 O ATOM 779 CB GLN A 52 -6.850 8.965 -9.874 1.00 0.00 C ATOM 780 CG GLN A 52 -7.684 10.135 -9.386 1.00 0.00 C ATOM 781 CD GLN A 52 -8.751 10.535 -10.385 1.00 0.00 C ATOM 782 OE1 GLN A 52 -9.868 10.018 -10.367 1.00 0.00 O ATOM 783 NE2 GLN A 52 -8.416 11.463 -11.267 1.00 0.00 N ATOM 0 H GLN A 52 -5.603 6.881 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.911 9.438 -9.089 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.499 9.181 -10.883 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.487 8.083 -9.940 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.156 9.873 -8.439 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.033 10.987 -9.192 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.480 11.868 -11.250 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.094 11.773 -11.963 1.00 0.00 H new ATOM 792 N ALA A 53 -6.552 7.372 -7.154 1.00 0.00 N ATOM 793 CA ALA A 53 -6.932 7.109 -5.782 1.00 0.00 C ATOM 794 C ALA A 53 -5.724 7.232 -4.868 1.00 0.00 C ATOM 795 O ALA A 53 -5.778 7.936 -3.868 1.00 0.00 O ATOM 796 CB ALA A 53 -7.564 5.733 -5.657 1.00 0.00 C ATOM 0 H ALA A 53 -6.709 6.589 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.671 7.850 -5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.843 5.554 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.453 5.683 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.850 4.974 -5.977 1.00 0.00 H new ATOM 802 N LEU A 54 -4.618 6.587 -5.233 1.00 0.00 N ATOM 803 CA LEU A 54 -3.396 6.669 -4.438 1.00 0.00 C ATOM 804 C LEU A 54 -2.927 8.108 -4.322 1.00 0.00 C ATOM 805 O LEU A 54 -2.618 8.584 -3.235 1.00 0.00 O ATOM 806 CB LEU A 54 -2.284 5.823 -5.063 1.00 0.00 C ATOM 807 CG LEU A 54 -2.364 4.327 -4.777 1.00 0.00 C ATOM 808 CD1 LEU A 54 -1.227 3.589 -5.466 1.00 0.00 C ATOM 809 CD2 LEU A 54 -2.328 4.083 -3.278 1.00 0.00 C ATOM 0 H LEU A 54 -4.543 6.006 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.621 6.284 -3.443 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.301 5.971 -6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.323 6.194 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.305 3.944 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.301 2.523 -5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.291 3.746 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.273 3.968 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.386 3.012 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.399 4.478 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.174 4.584 -2.807 1.00 0.00 H new ATOM 821 N VAL A 55 -2.906 8.795 -5.451 1.00 0.00 N ATOM 822 CA VAL A 55 -2.440 10.171 -5.509 1.00 0.00 C ATOM 823 C VAL A 55 -3.257 11.065 -4.581 1.00 0.00 C ATOM 824 O VAL A 55 -2.698 11.844 -3.809 1.00 0.00 O ATOM 825 CB VAL A 55 -2.498 10.718 -6.954 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.204 12.211 -6.985 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.515 9.967 -7.836 1.00 0.00 C ATOM 0 H VAL A 55 -3.209 8.418 -6.349 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.402 10.179 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.507 10.565 -7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.251 12.570 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.942 12.740 -6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.208 12.394 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.564 10.360 -8.852 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.505 10.094 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.770 8.907 -7.844 1.00 0.00 H new ATOM 837 N ARG A 56 -4.577 10.936 -4.637 1.00 0.00 N ATOM 838 CA ARG A 56 -5.441 11.779 -3.828 1.00 0.00 C ATOM 839 C ARG A 56 -5.460 11.315 -2.368 1.00 0.00 C ATOM 840 O ARG A 56 -5.409 12.140 -1.463 1.00 0.00 O ATOM 841 CB ARG A 56 -6.856 11.873 -4.435 1.00 0.00 C ATOM 842 CG ARG A 56 -7.659 10.582 -4.452 1.00 0.00 C ATOM 843 CD ARG A 56 -8.598 10.499 -3.262 1.00 0.00 C ATOM 844 NE ARG A 56 -9.570 9.418 -3.399 1.00 0.00 N ATOM 845 CZ ARG A 56 -10.394 9.047 -2.424 1.00 0.00 C ATOM 846 NH1 ARG A 56 -10.362 9.677 -1.253 1.00 0.00 N ATOM 847 NH2 ARG A 56 -11.255 8.059 -2.624 1.00 0.00 N ATOM 0 H ARG A 56 -5.066 10.263 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.030 12.788 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.420 12.622 -3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.768 12.237 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.234 10.521 -5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.980 9.729 -4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.016 10.349 -2.353 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.125 11.447 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.619 8.922 -4.289 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.706 10.444 -1.104 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.994 9.394 -0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.285 7.584 -3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.887 7.774 -1.876 1.00 0.00 H new ATOM 861 N GLU A 57 -5.500 10.003 -2.139 1.00 0.00 N ATOM 862 CA GLU A 57 -5.473 9.463 -0.775 1.00 0.00 C ATOM 863 C GLU A 57 -4.201 9.880 -0.042 1.00 0.00 C ATOM 864 O GLU A 57 -4.253 10.292 1.115 1.00 0.00 O ATOM 865 CB GLU A 57 -5.590 7.934 -0.783 1.00 0.00 C ATOM 866 CG GLU A 57 -6.984 7.421 -1.124 1.00 0.00 C ATOM 867 CD GLU A 57 -7.985 7.595 0.006 1.00 0.00 C ATOM 868 OE1 GLU A 57 -8.268 8.746 0.394 1.00 0.00 O ATOM 869 OE2 GLU A 57 -8.522 6.575 0.492 1.00 0.00 O ATOM 0 H GLU A 57 -5.551 9.296 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.332 9.877 -0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.879 7.529 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.303 7.553 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.350 7.945 -2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.921 6.364 -1.384 1.00 0.00 H new ATOM 876 N LEU A 58 -3.057 9.791 -0.716 1.00 0.00 N ATOM 877 CA LEU A 58 -1.801 10.206 -0.102 1.00 0.00 C ATOM 878 C LEU A 58 -1.785 11.718 0.073 1.00 0.00 C ATOM 879 O LEU A 58 -1.174 12.233 0.995 1.00 0.00 O ATOM 880 CB LEU A 58 -0.587 9.780 -0.928 1.00 0.00 C ATOM 881 CG LEU A 58 -0.525 8.300 -1.310 1.00 0.00 C ATOM 882 CD1 LEU A 58 0.770 7.992 -2.045 1.00 0.00 C ATOM 883 CD2 LEU A 58 -0.677 7.413 -0.087 1.00 0.00 C ATOM 0 H LEU A 58 -2.974 9.442 -1.671 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.736 9.713 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.568 10.373 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.315 10.029 -0.368 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.358 8.088 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.796 6.935 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.825 8.594 -2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.618 8.227 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.629 6.367 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.127 7.625 0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.638 7.610 0.388 1.00 0.00 H new ATOM 895 N ARG A 59 -2.438 12.429 -0.831 1.00 0.00 N ATOM 896 CA ARG A 59 -2.572 13.872 -0.701 1.00 0.00 C ATOM 897 C ARG A 59 -3.405 14.236 0.528 1.00 0.00 C ATOM 898 O ARG A 59 -3.125 15.222 1.209 1.00 0.00 O ATOM 899 CB ARG A 59 -3.195 14.464 -1.968 1.00 0.00 C ATOM 900 CG ARG A 59 -3.456 15.957 -1.876 1.00 0.00 C ATOM 901 CD ARG A 59 -3.933 16.525 -3.202 1.00 0.00 C ATOM 902 NE ARG A 59 -4.285 17.937 -3.089 1.00 0.00 N ATOM 903 CZ ARG A 59 -3.776 18.904 -3.856 1.00 0.00 C ATOM 904 NH1 ARG A 59 -2.919 18.610 -4.831 1.00 0.00 N ATOM 905 NH2 ARG A 59 -4.138 20.164 -3.657 1.00 0.00 N ATOM 0 H ARG A 59 -2.882 12.034 -1.660 1.00 0.00 H new ATOM 0 HA ARG A 59 -1.577 14.297 -0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.534 14.271 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.134 13.951 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.204 16.149 -1.107 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.544 16.468 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.151 16.404 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.799 15.961 -3.549 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.965 18.203 -2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.647 17.641 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.534 19.354 -5.413 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.804 20.393 -2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.750 20.904 -4.242 1.00 0.00 H new ATOM 919 N GLU A 60 -4.414 13.430 0.819 1.00 0.00 N ATOM 920 CA GLU A 60 -5.296 13.703 1.941 1.00 0.00 C ATOM 921 C GLU A 60 -4.701 13.188 3.249 1.00 0.00 C ATOM 922 O GLU A 60 -4.766 13.867 4.274 1.00 0.00 O ATOM 923 CB GLU A 60 -6.682 13.092 1.703 1.00 0.00 C ATOM 924 CG GLU A 60 -7.319 13.535 0.395 1.00 0.00 C ATOM 925 CD GLU A 60 -8.797 13.210 0.313 1.00 0.00 C ATOM 926 OE1 GLU A 60 -9.586 13.840 1.046 1.00 0.00 O ATOM 927 OE2 GLU A 60 -9.189 12.353 -0.512 1.00 0.00 O ATOM 0 H GLU A 60 -4.641 12.585 0.296 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.405 14.784 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.598 12.005 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.338 13.365 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.182 14.610 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.801 13.055 -0.435 1.00 0.00 H new ATOM 934 N GLU A 61 -4.107 12.002 3.213 1.00 0.00 N ATOM 935 CA GLU A 61 -3.540 11.404 4.415 1.00 0.00 C ATOM 936 C GLU A 61 -2.094 11.810 4.638 1.00 0.00 C ATOM 937 O GLU A 61 -1.719 12.171 5.753 1.00 0.00 O ATOM 938 CB GLU A 61 -3.632 9.883 4.378 1.00 0.00 C ATOM 939 CG GLU A 61 -5.018 9.370 4.631 1.00 0.00 C ATOM 940 CD GLU A 61 -5.419 9.682 6.046 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.618 9.370 6.957 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.497 10.272 6.258 1.00 0.00 O ATOM 0 H GLU A 61 -4.006 11.438 2.369 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.135 11.783 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.292 9.528 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.955 9.466 5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.719 9.828 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.056 8.294 4.460 1.00 0.00 H new ATOM 949 N LEU A 62 -1.285 11.759 3.592 1.00 0.00 N ATOM 950 CA LEU A 62 0.144 11.981 3.742 1.00 0.00 C ATOM 951 C LEU A 62 0.549 13.378 3.292 1.00 0.00 C ATOM 952 O LEU A 62 1.733 13.712 3.310 1.00 0.00 O ATOM 953 CB LEU A 62 0.926 10.941 2.943 1.00 0.00 C ATOM 954 CG LEU A 62 0.601 9.482 3.265 1.00 0.00 C ATOM 955 CD1 LEU A 62 1.491 8.566 2.448 1.00 0.00 C ATOM 956 CD2 LEU A 62 0.773 9.205 4.751 1.00 0.00 C ATOM 0 H LEU A 62 -1.590 11.568 2.638 1.00 0.00 H new ATOM 0 HA LEU A 62 0.379 11.885 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.742 11.110 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.990 11.104 3.112 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.440 9.290 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.256 7.527 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.323 8.747 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.536 8.764 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.536 8.161 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.804 9.407 5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.102 9.848 5.321 1.00 0.00 H new ATOM 968 N GLY A 63 -0.434 14.204 2.932 1.00 0.00 N ATOM 969 CA GLY A 63 -0.155 15.532 2.409 1.00 0.00 C ATOM 970 C GLY A 63 0.840 15.569 1.258 1.00 0.00 C ATOM 971 O GLY A 63 1.521 16.579 1.072 1.00 0.00 O ATOM 0 H GLY A 63 -1.426 13.973 2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.091 15.980 2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.225 16.154 3.219 1.00 0.00 H new ATOM 975 N ILE A 64 0.932 14.500 0.472 1.00 0.00 N ATOM 976 CA ILE A 64 1.869 14.487 -0.647 1.00 0.00 C ATOM 977 C ILE A 64 1.189 14.120 -1.957 1.00 0.00 C ATOM 978 O ILE A 64 0.287 13.282 -2.001 1.00 0.00 O ATOM 979 CB ILE A 64 3.073 13.538 -0.426 1.00 0.00 C ATOM 980 CG1 ILE A 64 2.621 12.086 -0.232 1.00 0.00 C ATOM 981 CG2 ILE A 64 3.909 14.000 0.755 1.00 0.00 C ATOM 982 CD1 ILE A 64 3.776 11.119 -0.062 1.00 0.00 C ATOM 0 H ILE A 64 0.382 13.648 0.585 1.00 0.00 H new ATOM 0 HA ILE A 64 2.246 15.508 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 64 3.689 13.574 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.975 12.027 0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.023 11.781 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.750 13.320 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.283 15.006 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.295 14.006 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.388 10.109 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.410 11.151 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.361 11.401 0.813 1.00 0.00 H new ATOM 994 N GLU A 65 1.633 14.767 -3.021 1.00 0.00 N ATOM 995 CA GLU A 65 1.166 14.472 -4.362 1.00 0.00 C ATOM 996 C GLU A 65 2.088 13.435 -4.985 1.00 0.00 C ATOM 997 O GLU A 65 3.169 13.768 -5.468 1.00 0.00 O ATOM 998 CB GLU A 65 1.160 15.745 -5.205 1.00 0.00 C ATOM 999 CG GLU A 65 0.225 16.820 -4.683 1.00 0.00 C ATOM 1000 CD GLU A 65 0.340 18.110 -5.466 1.00 0.00 C ATOM 1001 OE1 GLU A 65 -0.151 18.160 -6.613 1.00 0.00 O ATOM 1002 OE2 GLU A 65 0.931 19.078 -4.941 1.00 0.00 O ATOM 0 H GLU A 65 2.328 15.512 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 65 0.149 14.081 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.173 16.146 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.874 15.492 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.802 16.459 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.447 17.013 -3.634 1.00 0.00 H new ATOM 1009 N ALA A 66 1.678 12.180 -4.936 1.00 0.00 N ATOM 1010 CA ALA A 66 2.535 11.086 -5.362 1.00 0.00 C ATOM 1011 C ALA A 66 2.455 10.852 -6.864 1.00 0.00 C ATOM 1012 O ALA A 66 1.447 11.149 -7.504 1.00 0.00 O ATOM 1013 CB ALA A 66 2.171 9.817 -4.613 1.00 0.00 C ATOM 0 H ALA A 66 0.757 11.892 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 66 3.563 11.362 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.819 9.003 -4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.300 9.977 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.132 9.558 -4.819 1.00 0.00 H new ATOM 1019 N THR A 67 3.529 10.311 -7.410 1.00 0.00 N ATOM 1020 CA THR A 67 3.588 9.959 -8.811 1.00 0.00 C ATOM 1021 C THR A 67 3.620 8.441 -8.947 1.00 0.00 C ATOM 1022 O THR A 67 4.620 7.803 -8.620 1.00 0.00 O ATOM 1023 CB THR A 67 4.834 10.572 -9.488 1.00 0.00 C ATOM 1024 OG1 THR A 67 4.858 11.992 -9.275 1.00 0.00 O ATOM 1025 CG2 THR A 67 4.844 10.282 -10.982 1.00 0.00 C ATOM 0 H THR A 67 4.383 10.105 -6.892 1.00 0.00 H new ATOM 0 HA THR A 67 2.704 10.359 -9.307 1.00 0.00 H new ATOM 0 HB THR A 67 5.719 10.118 -9.042 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.785 12.291 -9.168 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.732 10.725 -11.433 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.855 9.204 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.952 10.709 -11.441 1.00 0.00 H new ATOM 1033 N VAL A 68 2.516 7.862 -9.395 1.00 0.00 N ATOM 1034 CA VAL A 68 2.413 6.417 -9.516 1.00 0.00 C ATOM 1035 C VAL A 68 3.092 5.943 -10.797 1.00 0.00 C ATOM 1036 O VAL A 68 2.937 6.564 -11.848 1.00 0.00 O ATOM 1037 CB VAL A 68 0.942 5.953 -9.512 1.00 0.00 C ATOM 1038 CG1 VAL A 68 0.860 4.435 -9.499 1.00 0.00 C ATOM 1039 CG2 VAL A 68 0.194 6.539 -8.323 1.00 0.00 C ATOM 0 H VAL A 68 1.680 8.371 -9.680 1.00 0.00 H new ATOM 0 HA VAL A 68 2.914 5.979 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 68 0.469 6.315 -10.425 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.186 4.127 -9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.353 4.036 -10.385 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.353 4.052 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -0.841 6.198 -8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.668 6.212 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.219 7.627 -8.378 1.00 0.00 H new ATOM 1049 N GLY A 69 3.864 4.866 -10.709 1.00 0.00 N ATOM 1050 CA GLY A 69 4.535 4.357 -11.886 1.00 0.00 C ATOM 1051 C GLY A 69 4.571 2.842 -11.952 1.00 0.00 C ATOM 1052 O GLY A 69 3.702 2.215 -12.560 1.00 0.00 O ATOM 0 H GLY A 69 4.035 4.341 -9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.034 4.740 -12.775 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.556 4.738 -11.906 1.00 0.00 H new ATOM 1056 N GLU A 70 5.567 2.256 -11.303 1.00 0.00 N ATOM 1057 CA GLU A 70 5.819 0.826 -11.412 1.00 0.00 C ATOM 1058 C GLU A 70 4.961 0.034 -10.425 1.00 0.00 C ATOM 1059 O GLU A 70 4.932 0.321 -9.223 1.00 0.00 O ATOM 1060 CB GLU A 70 7.310 0.539 -11.194 1.00 0.00 C ATOM 1061 CG GLU A 70 7.821 0.973 -9.832 1.00 0.00 C ATOM 1062 CD GLU A 70 9.331 1.027 -9.747 1.00 0.00 C ATOM 1063 OE1 GLU A 70 9.967 -0.031 -9.572 1.00 0.00 O ATOM 1064 OE2 GLU A 70 9.884 2.144 -9.825 1.00 0.00 O ATOM 0 H GLU A 70 6.217 2.752 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 70 5.542 0.504 -12.416 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.487 -0.530 -11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.886 1.047 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.416 1.957 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.446 0.284 -9.075 1.00 0.00 H new ATOM 1071 N TYR A 71 4.236 -0.941 -10.950 1.00 0.00 N ATOM 1072 CA TYR A 71 3.390 -1.801 -10.146 1.00 0.00 C ATOM 1073 C TYR A 71 4.228 -2.880 -9.466 1.00 0.00 C ATOM 1074 O TYR A 71 5.060 -3.518 -10.112 1.00 0.00 O ATOM 1075 CB TYR A 71 2.338 -2.450 -11.046 1.00 0.00 C ATOM 1076 CG TYR A 71 1.760 -1.512 -12.085 1.00 0.00 C ATOM 1077 CD1 TYR A 71 0.847 -0.526 -11.735 1.00 0.00 C ATOM 1078 CD2 TYR A 71 2.137 -1.611 -13.419 1.00 0.00 C ATOM 1079 CE1 TYR A 71 0.323 0.332 -12.682 1.00 0.00 C ATOM 1080 CE2 TYR A 71 1.618 -0.756 -14.372 1.00 0.00 C ATOM 1081 CZ TYR A 71 0.712 0.214 -13.998 1.00 0.00 C ATOM 1082 OH TYR A 71 0.190 1.067 -14.944 1.00 0.00 O ATOM 0 H TYR A 71 4.219 -1.157 -11.947 1.00 0.00 H new ATOM 0 HA TYR A 71 2.899 -1.207 -9.376 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.784 -3.306 -11.551 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.528 -2.833 -10.425 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.541 -0.428 -10.704 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.847 -2.369 -13.715 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.388 1.091 -12.392 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.920 -0.847 -15.405 1.00 0.00 H new ATOM 0 HH TYR A 71 0.568 0.852 -15.822 1.00 0.00 H new ATOM 1092 N VAL A 72 4.013 -3.080 -8.170 1.00 0.00 N ATOM 1093 CA VAL A 72 4.774 -4.073 -7.421 1.00 0.00 C ATOM 1094 C VAL A 72 4.059 -5.420 -7.409 1.00 0.00 C ATOM 1095 O VAL A 72 4.516 -6.381 -8.031 1.00 0.00 O ATOM 1096 CB VAL A 72 5.012 -3.623 -5.964 1.00 0.00 C ATOM 1097 CG1 VAL A 72 5.743 -4.698 -5.179 1.00 0.00 C ATOM 1098 CG2 VAL A 72 5.782 -2.311 -5.922 1.00 0.00 C ATOM 0 H VAL A 72 3.322 -2.571 -7.619 1.00 0.00 H new ATOM 0 HA VAL A 72 5.735 -4.176 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 72 4.040 -3.463 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.899 -4.358 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.148 -5.611 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.707 -4.898 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.938 -2.014 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.747 -2.440 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.213 -1.538 -6.439 1.00 0.00 H new ATOM 1108 N ALA A 73 2.927 -5.486 -6.716 1.00 0.00 N ATOM 1109 CA ALA A 73 2.172 -6.730 -6.621 1.00 0.00 C ATOM 1110 C ALA A 73 0.734 -6.479 -6.192 1.00 0.00 C ATOM 1111 O ALA A 73 0.403 -5.409 -5.681 1.00 0.00 O ATOM 1112 CB ALA A 73 2.847 -7.684 -5.645 1.00 0.00 C ATOM 0 H ALA A 73 2.515 -4.699 -6.215 1.00 0.00 H new ATOM 0 HA ALA A 73 2.154 -7.182 -7.612 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.273 -8.608 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.856 -7.906 -5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.896 -7.221 -4.659 1.00 0.00 H new ATOM 1118 N SER A 74 -0.115 -7.474 -6.396 1.00 0.00 N ATOM 1119 CA SER A 74 -1.499 -7.399 -5.970 1.00 0.00 C ATOM 1120 C SER A 74 -1.829 -8.575 -5.054 1.00 0.00 C ATOM 1121 O SER A 74 -1.244 -9.655 -5.175 1.00 0.00 O ATOM 1122 CB SER A 74 -2.430 -7.376 -7.189 1.00 0.00 C ATOM 1123 OG SER A 74 -2.184 -8.476 -8.051 1.00 0.00 O ATOM 0 H SER A 74 0.135 -8.348 -6.858 1.00 0.00 H new ATOM 0 HA SER A 74 -1.649 -6.475 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.468 -7.398 -6.856 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.291 -6.444 -7.737 1.00 0.00 H new ATOM 0 HG SER A 74 -2.794 -8.434 -8.817 1.00 0.00 H new ATOM 1129 N HIS A 75 -2.742 -8.357 -4.122 1.00 0.00 N ATOM 1130 CA HIS A 75 -3.146 -9.402 -3.195 1.00 0.00 C ATOM 1131 C HIS A 75 -4.656 -9.388 -3.007 1.00 0.00 C ATOM 1132 O HIS A 75 -5.268 -8.322 -2.919 1.00 0.00 O ATOM 1133 CB HIS A 75 -2.442 -9.230 -1.845 1.00 0.00 C ATOM 1134 CG HIS A 75 -2.790 -10.290 -0.847 1.00 0.00 C ATOM 1135 ND1 HIS A 75 -2.427 -11.607 -0.999 1.00 0.00 N ATOM 1136 CD2 HIS A 75 -3.480 -10.224 0.314 1.00 0.00 C ATOM 1137 CE1 HIS A 75 -2.874 -12.307 0.025 1.00 0.00 C ATOM 1138 NE2 HIS A 75 -3.517 -11.491 0.840 1.00 0.00 N ATOM 0 H HIS A 75 -3.218 -7.465 -3.987 1.00 0.00 H new ATOM 0 HA HIS A 75 -2.854 -10.364 -3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.364 -9.233 -2.004 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -2.700 -8.255 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.920 -9.338 0.747 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.737 -13.368 0.172 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.967 -11.758 1.716 1.00 0.00 H new ATOM 1147 N GLN A 76 -5.248 -10.569 -2.950 1.00 0.00 N ATOM 1148 CA GLN A 76 -6.680 -10.697 -2.754 1.00 0.00 C ATOM 1149 C GLN A 76 -6.995 -11.389 -1.440 1.00 0.00 C ATOM 1150 O GLN A 76 -6.348 -12.368 -1.065 1.00 0.00 O ATOM 1151 CB GLN A 76 -7.311 -11.463 -3.910 1.00 0.00 C ATOM 1152 CG GLN A 76 -7.556 -10.599 -5.130 1.00 0.00 C ATOM 1153 CD GLN A 76 -8.052 -11.397 -6.318 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -9.361 -11.553 -6.427 1.00 0.00 O flip ATOM 1155 NE2 GLN A 76 -7.260 -11.876 -7.128 1.00 0.00 N flip ATOM 0 H GLN A 76 -4.754 -11.457 -3.037 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.102 -9.692 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.662 -12.294 -4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.257 -11.893 -3.580 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.286 -9.828 -4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.632 -10.088 -5.400 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.257 -11.732 -7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.606 -12.417 -7.921 1.00 0.00 H new ATOM 1164 N ARG A 77 -7.987 -10.864 -0.753 1.00 0.00 N ATOM 1165 CA ARG A 77 -8.455 -11.425 0.504 1.00 0.00 C ATOM 1166 C ARG A 77 -9.945 -11.169 0.605 1.00 0.00 C ATOM 1167 O ARG A 77 -10.497 -10.481 -0.244 1.00 0.00 O ATOM 1168 CB ARG A 77 -7.716 -10.795 1.691 1.00 0.00 C ATOM 1169 CG ARG A 77 -7.886 -9.289 1.793 1.00 0.00 C ATOM 1170 CD ARG A 77 -7.108 -8.726 2.969 1.00 0.00 C ATOM 1171 NE ARG A 77 -7.207 -7.268 3.063 1.00 0.00 N ATOM 1172 CZ ARG A 77 -6.931 -6.575 4.173 1.00 0.00 C ATOM 1173 NH1 ARG A 77 -6.632 -7.214 5.298 1.00 0.00 N ATOM 1174 NH2 ARG A 77 -6.967 -5.244 4.161 1.00 0.00 N ATOM 0 H ARG A 77 -8.497 -10.032 -1.049 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.256 -12.496 0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -8.072 -11.254 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.654 -11.026 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.546 -8.819 0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.943 -9.047 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.478 -9.172 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.060 -9.010 2.876 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.503 -6.752 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.613 -8.234 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.422 -6.685 6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.206 -4.748 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.756 -4.720 5.010 1.00 0.00 H new ATOM 1188 N GLU A 78 -10.607 -11.708 1.606 1.00 0.00 N ATOM 1189 CA GLU A 78 -12.039 -11.501 1.716 1.00 0.00 C ATOM 1190 C GLU A 78 -12.399 -10.814 3.029 1.00 0.00 C ATOM 1191 O GLU A 78 -11.706 -10.960 4.038 1.00 0.00 O ATOM 1192 CB GLU A 78 -12.787 -12.834 1.573 1.00 0.00 C ATOM 1193 CG GLU A 78 -12.727 -13.709 2.812 1.00 0.00 C ATOM 1194 CD GLU A 78 -13.289 -15.096 2.578 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -12.578 -15.937 1.994 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -14.438 -15.355 2.989 1.00 0.00 O ATOM 0 H GLU A 78 -10.191 -12.280 2.341 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.348 -10.843 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.831 -12.630 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.369 -13.385 0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -11.692 -13.792 3.143 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.281 -13.228 3.618 1.00 0.00 H new ATOM 1203 N VAL A 79 -13.475 -10.047 2.986 1.00 0.00 N ATOM 1204 CA VAL A 79 -14.044 -9.424 4.160 1.00 0.00 C ATOM 1205 C VAL A 79 -15.519 -9.813 4.248 1.00 0.00 C ATOM 1206 O VAL A 79 -16.373 -9.224 3.578 1.00 0.00 O ATOM 1207 CB VAL A 79 -13.873 -7.882 4.155 1.00 0.00 C ATOM 1208 CG1 VAL A 79 -14.307 -7.272 2.829 1.00 0.00 C ATOM 1209 CG2 VAL A 79 -14.630 -7.248 5.318 1.00 0.00 C ATOM 0 H VAL A 79 -13.980 -9.840 2.125 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.508 -9.782 5.039 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.811 -7.670 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -14.172 -6.191 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -13.702 -7.687 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.357 -7.501 2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -14.495 -6.167 5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -15.691 -7.483 5.233 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.246 -7.640 6.259 1.00 0.00 H new ATOM 1219 N SER A 80 -15.790 -10.846 5.042 1.00 0.00 N ATOM 1220 CA SER A 80 -17.120 -11.445 5.154 1.00 0.00 C ATOM 1221 C SER A 80 -17.810 -11.578 3.791 1.00 0.00 C ATOM 1222 O SER A 80 -18.763 -10.857 3.490 1.00 0.00 O ATOM 1223 CB SER A 80 -17.996 -10.656 6.144 1.00 0.00 C ATOM 1224 OG SER A 80 -18.008 -9.268 5.846 1.00 0.00 O ATOM 0 H SER A 80 -15.088 -11.295 5.631 1.00 0.00 H new ATOM 0 HA SER A 80 -16.987 -12.454 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 80 -19.015 -11.043 6.116 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.625 -10.807 7.158 1.00 0.00 H new ATOM 0 HG SER A 80 -18.124 -9.142 4.881 1.00 0.00 H new ATOM 1230 N GLY A 81 -17.309 -12.488 2.957 1.00 0.00 N ATOM 1231 CA GLY A 81 -17.933 -12.738 1.666 1.00 0.00 C ATOM 1232 C GLY A 81 -17.473 -11.808 0.551 1.00 0.00 C ATOM 1233 O GLY A 81 -17.583 -12.156 -0.623 1.00 0.00 O ATOM 0 H GLY A 81 -16.484 -13.056 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.728 -13.767 1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -19.014 -12.647 1.775 1.00 0.00 H new ATOM 1237 N ARG A 82 -16.962 -10.633 0.898 1.00 0.00 N ATOM 1238 CA ARG A 82 -16.549 -9.662 -0.116 1.00 0.00 C ATOM 1239 C ARG A 82 -15.055 -9.766 -0.375 1.00 0.00 C ATOM 1240 O ARG A 82 -14.272 -9.878 0.553 1.00 0.00 O ATOM 1241 CB ARG A 82 -16.907 -8.240 0.318 1.00 0.00 C ATOM 1242 CG ARG A 82 -18.394 -8.029 0.521 1.00 0.00 C ATOM 1243 CD ARG A 82 -18.706 -6.589 0.889 1.00 0.00 C ATOM 1244 NE ARG A 82 -20.130 -6.397 1.162 1.00 0.00 N ATOM 1245 CZ ARG A 82 -20.676 -5.238 1.528 1.00 0.00 C ATOM 1246 NH1 ARG A 82 -19.924 -4.155 1.674 1.00 0.00 N ATOM 1247 NH2 ARG A 82 -21.982 -5.171 1.757 1.00 0.00 N ATOM 0 H ARG A 82 -16.823 -10.329 1.862 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.083 -9.889 -1.039 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.385 -8.009 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.547 -7.537 -0.433 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -18.928 -8.297 -0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -18.753 -8.693 1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -18.126 -6.304 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -18.399 -5.931 0.076 1.00 0.00 H new ATOM 0 HE ARG A 82 -20.746 -7.204 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.919 -4.205 1.506 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.351 -3.272 1.954 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -22.561 -6.004 1.653 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -22.406 -4.287 2.037 1.00 0.00 H new ATOM 1261 N ILE A 83 -14.660 -9.721 -1.632 1.00 0.00 N ATOM 1262 CA ILE A 83 -13.261 -9.902 -1.988 1.00 0.00 C ATOM 1263 C ILE A 83 -12.551 -8.558 -2.091 1.00 0.00 C ATOM 1264 O ILE A 83 -12.880 -7.736 -2.940 1.00 0.00 O ATOM 1265 CB ILE A 83 -13.098 -10.689 -3.316 1.00 0.00 C ATOM 1266 CG1 ILE A 83 -13.443 -12.175 -3.127 1.00 0.00 C ATOM 1267 CG2 ILE A 83 -11.681 -10.550 -3.861 1.00 0.00 C ATOM 1268 CD1 ILE A 83 -14.903 -12.456 -2.837 1.00 0.00 C ATOM 0 H ILE A 83 -15.283 -9.561 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.803 -10.488 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.795 -10.261 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.155 -12.718 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.842 -12.572 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.593 -11.110 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.465 -9.498 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.971 -10.942 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.050 -13.530 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.196 -11.946 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -15.514 -12.095 -3.664 1.00 0.00 H new ATOM 1280 N ILE A 84 -11.596 -8.336 -1.206 1.00 0.00 N ATOM 1281 CA ILE A 84 -10.794 -7.128 -1.240 1.00 0.00 C ATOM 1282 C ILE A 84 -9.597 -7.324 -2.154 1.00 0.00 C ATOM 1283 O ILE A 84 -8.884 -8.328 -2.071 1.00 0.00 O ATOM 1284 CB ILE A 84 -10.295 -6.693 0.152 1.00 0.00 C ATOM 1285 CG1 ILE A 84 -10.908 -7.546 1.256 1.00 0.00 C ATOM 1286 CG2 ILE A 84 -10.629 -5.239 0.402 1.00 0.00 C ATOM 1287 CD1 ILE A 84 -10.936 -6.837 2.590 1.00 0.00 C ATOM 0 H ILE A 84 -11.357 -8.980 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.443 -6.338 -1.617 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.214 -6.829 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -11.924 -7.823 0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.340 -8.472 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.270 -4.948 1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.149 -4.620 -0.356 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.709 -5.100 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.383 -7.490 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.919 -6.584 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -11.527 -5.925 2.505 1.00 0.00 H new ATOM 1299 N HIS A 85 -9.383 -6.352 -3.012 1.00 0.00 N ATOM 1300 CA HIS A 85 -8.377 -6.431 -4.049 1.00 0.00 C ATOM 1301 C HIS A 85 -7.329 -5.342 -3.833 1.00 0.00 C ATOM 1302 O HIS A 85 -7.536 -4.187 -4.206 1.00 0.00 O ATOM 1303 CB HIS A 85 -9.080 -6.264 -5.398 1.00 0.00 C ATOM 1304 CG HIS A 85 -8.269 -6.609 -6.607 1.00 0.00 C ATOM 1305 ND1 HIS A 85 -8.607 -6.172 -7.863 1.00 0.00 N ATOM 1306 CD2 HIS A 85 -7.164 -7.375 -6.762 1.00 0.00 C ATOM 1307 CE1 HIS A 85 -7.752 -6.650 -8.743 1.00 0.00 C ATOM 1308 NE2 HIS A 85 -6.861 -7.384 -8.101 1.00 0.00 N ATOM 0 H HIS A 85 -9.906 -5.477 -3.010 1.00 0.00 H new ATOM 0 HA HIS A 85 -7.864 -7.392 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -9.977 -6.884 -5.397 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -9.408 -5.229 -5.489 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -9.400 -5.569 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.622 -7.884 -5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.775 -6.472 -9.808 1.00 0.00 H new ATOM 1317 N LEU A 86 -6.212 -5.705 -3.214 1.00 0.00 N ATOM 1318 CA LEU A 86 -5.186 -4.728 -2.872 1.00 0.00 C ATOM 1319 C LEU A 86 -4.104 -4.663 -3.937 1.00 0.00 C ATOM 1320 O LEU A 86 -3.653 -5.691 -4.442 1.00 0.00 O ATOM 1321 CB LEU A 86 -4.550 -5.028 -1.509 1.00 0.00 C ATOM 1322 CG LEU A 86 -5.368 -4.587 -0.295 1.00 0.00 C ATOM 1323 CD1 LEU A 86 -6.464 -5.594 0.019 1.00 0.00 C ATOM 1324 CD2 LEU A 86 -4.460 -4.372 0.908 1.00 0.00 C ATOM 0 H LEU A 86 -5.994 -6.663 -2.940 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.683 -3.760 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.374 -6.101 -1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.576 -4.541 -1.466 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.850 -3.638 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.031 -5.256 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.132 -5.684 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.016 -6.564 0.234 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.058 -4.058 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.945 -5.303 1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.726 -3.601 0.676 1.00 0.00 H new ATOM 1336 N HIS A 87 -3.714 -3.445 -4.285 1.00 0.00 N ATOM 1337 CA HIS A 87 -2.641 -3.212 -5.245 1.00 0.00 C ATOM 1338 C HIS A 87 -1.502 -2.451 -4.581 1.00 0.00 C ATOM 1339 O HIS A 87 -1.679 -1.303 -4.192 1.00 0.00 O ATOM 1340 CB HIS A 87 -3.152 -2.384 -6.427 1.00 0.00 C ATOM 1341 CG HIS A 87 -4.286 -3.006 -7.179 1.00 0.00 C ATOM 1342 ND1 HIS A 87 -4.298 -3.741 -8.313 1.00 0.00 N flip ATOM 1343 CD2 HIS A 87 -5.604 -2.872 -6.799 1.00 0.00 C flip ATOM 1344 CE1 HIS A 87 -5.609 -4.036 -8.599 1.00 0.00 C flip ATOM 1345 NE2 HIS A 87 -6.373 -3.500 -7.666 1.00 0.00 N flip ATOM 0 H HIS A 87 -4.130 -2.592 -3.912 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.288 -4.180 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.469 -1.408 -6.060 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.326 -2.212 -7.117 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.952 -2.337 -5.928 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.956 -4.610 -9.445 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.390 -3.561 -7.623 1.00 0.00 H new ATOM 1354 N ALA A 88 -0.344 -3.081 -4.450 1.00 0.00 N ATOM 1355 CA ALA A 88 0.827 -2.402 -3.913 1.00 0.00 C ATOM 1356 C ALA A 88 1.642 -1.828 -5.054 1.00 0.00 C ATOM 1357 O ALA A 88 2.265 -2.568 -5.815 1.00 0.00 O ATOM 1358 CB ALA A 88 1.681 -3.350 -3.085 1.00 0.00 C ATOM 0 H ALA A 88 -0.190 -4.056 -4.706 1.00 0.00 H new ATOM 0 HA ALA A 88 0.493 -1.597 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.548 -2.815 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.092 -3.738 -2.254 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.016 -4.178 -3.710 1.00 0.00 H new ATOM 1364 N TRP A 89 1.607 -0.517 -5.200 1.00 0.00 N ATOM 1365 CA TRP A 89 2.313 0.136 -6.286 1.00 0.00 C ATOM 1366 C TRP A 89 3.422 1.027 -5.748 1.00 0.00 C ATOM 1367 O TRP A 89 3.285 1.648 -4.694 1.00 0.00 O ATOM 1368 CB TRP A 89 1.341 0.935 -7.160 1.00 0.00 C ATOM 1369 CG TRP A 89 0.380 0.068 -7.925 1.00 0.00 C ATOM 1370 CD1 TRP A 89 0.389 -1.297 -8.006 1.00 0.00 C ATOM 1371 CD2 TRP A 89 -0.720 0.506 -8.728 1.00 0.00 C ATOM 1372 NE1 TRP A 89 -0.640 -1.732 -8.800 1.00 0.00 N ATOM 1373 CE2 TRP A 89 -1.332 -0.647 -9.258 1.00 0.00 C ATOM 1374 CE3 TRP A 89 -1.250 1.757 -9.050 1.00 0.00 C ATOM 1375 CZ2 TRP A 89 -2.442 -0.583 -10.092 1.00 0.00 C ATOM 1376 CZ3 TRP A 89 -2.353 1.818 -9.879 1.00 0.00 C ATOM 1377 CH2 TRP A 89 -2.937 0.655 -10.391 1.00 0.00 C ATOM 0 H TRP A 89 1.099 0.115 -4.582 1.00 0.00 H new ATOM 0 HA TRP A 89 2.771 -0.633 -6.908 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.777 1.622 -6.529 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.911 1.542 -7.863 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.104 -1.940 -7.515 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.854 -2.706 -9.014 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -0.806 2.660 -8.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -2.896 -1.479 -10.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -2.771 2.780 -10.136 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -3.798 0.737 -11.037 1.00 0.00 H new ATOM 1388 N HIS A 90 4.523 1.071 -6.473 1.00 0.00 N ATOM 1389 CA HIS A 90 5.692 1.822 -6.049 1.00 0.00 C ATOM 1390 C HIS A 90 5.653 3.227 -6.625 1.00 0.00 C ATOM 1391 O HIS A 90 5.699 3.413 -7.842 1.00 0.00 O ATOM 1392 CB HIS A 90 6.963 1.091 -6.493 1.00 0.00 C ATOM 1393 CG HIS A 90 8.249 1.810 -6.192 1.00 0.00 C ATOM 1394 ND1 HIS A 90 8.873 2.643 -7.093 1.00 0.00 N ATOM 1395 CD2 HIS A 90 9.050 1.779 -5.102 1.00 0.00 C ATOM 1396 CE1 HIS A 90 9.998 3.093 -6.572 1.00 0.00 C ATOM 1397 NE2 HIS A 90 10.135 2.583 -5.362 1.00 0.00 N ATOM 0 H HIS A 90 4.634 0.591 -7.366 1.00 0.00 H new ATOM 0 HA HIS A 90 5.693 1.900 -4.962 1.00 0.00 H new ATOM 0 HB2 HIS A 90 6.989 0.114 -6.010 1.00 0.00 H new ATOM 0 HB3 HIS A 90 6.906 0.915 -7.567 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.870 1.224 -4.193 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.691 3.766 -7.055 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.914 2.756 -4.727 1.00 0.00 H new ATOM 1406 N VAL A 91 5.556 4.210 -5.747 1.00 0.00 N ATOM 1407 CA VAL A 91 5.610 5.600 -6.160 1.00 0.00 C ATOM 1408 C VAL A 91 7.054 6.101 -6.101 1.00 0.00 C ATOM 1409 O VAL A 91 7.613 6.303 -5.024 1.00 0.00 O ATOM 1410 CB VAL A 91 4.681 6.496 -5.307 1.00 0.00 C ATOM 1411 CG1 VAL A 91 3.226 6.226 -5.656 1.00 0.00 C ATOM 1412 CG2 VAL A 91 4.912 6.274 -3.821 1.00 0.00 C ATOM 0 H VAL A 91 5.439 4.071 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 91 5.250 5.660 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 91 4.917 7.536 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.582 6.863 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.059 6.442 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.992 5.180 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.244 6.918 -3.249 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.711 5.232 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.946 6.513 -3.574 1.00 0.00 H new ATOM 1422 N PRO A 92 7.695 6.258 -7.269 1.00 0.00 N ATOM 1423 CA PRO A 92 9.098 6.664 -7.350 1.00 0.00 C ATOM 1424 C PRO A 92 9.290 8.160 -7.128 1.00 0.00 C ATOM 1425 O PRO A 92 10.417 8.659 -7.126 1.00 0.00 O ATOM 1426 CB PRO A 92 9.485 6.281 -8.778 1.00 0.00 C ATOM 1427 CG PRO A 92 8.220 6.381 -9.559 1.00 0.00 C ATOM 1428 CD PRO A 92 7.104 6.045 -8.606 1.00 0.00 C ATOM 0 HA PRO A 92 9.706 6.189 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.248 6.952 -9.174 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.896 5.272 -8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 92 8.094 7.384 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 92 8.230 5.692 -10.404 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.237 6.686 -8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.767 5.016 -8.734 1.00 0.00 H new ATOM 1436 N ASP A 93 8.187 8.869 -6.946 1.00 0.00 N ATOM 1437 CA ASP A 93 8.222 10.314 -6.772 1.00 0.00 C ATOM 1438 C ASP A 93 7.009 10.792 -5.990 1.00 0.00 C ATOM 1439 O ASP A 93 5.914 10.247 -6.125 1.00 0.00 O ATOM 1440 CB ASP A 93 8.249 11.009 -8.132 1.00 0.00 C ATOM 1441 CG ASP A 93 8.178 12.521 -8.031 1.00 0.00 C ATOM 1442 OD1 ASP A 93 9.190 13.144 -7.653 1.00 0.00 O ATOM 1443 OD2 ASP A 93 7.111 13.091 -8.347 1.00 0.00 O ATOM 0 H ASP A 93 7.251 8.465 -6.915 1.00 0.00 H new ATOM 0 HA ASP A 93 9.125 10.565 -6.216 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.162 10.729 -8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.412 10.652 -8.732 1.00 0.00 H new ATOM 1448 N PHE A 94 7.225 11.790 -5.158 1.00 0.00 N ATOM 1449 CA PHE A 94 6.149 12.430 -4.415 1.00 0.00 C ATOM 1450 C PHE A 94 6.451 13.913 -4.234 1.00 0.00 C ATOM 1451 O PHE A 94 7.587 14.294 -3.950 1.00 0.00 O ATOM 1452 CB PHE A 94 5.946 11.752 -3.049 1.00 0.00 C ATOM 1453 CG PHE A 94 7.175 11.745 -2.178 1.00 0.00 C ATOM 1454 CD1 PHE A 94 8.167 10.794 -2.361 1.00 0.00 C ATOM 1455 CD2 PHE A 94 7.341 12.695 -1.183 1.00 0.00 C ATOM 1456 CE1 PHE A 94 9.299 10.791 -1.570 1.00 0.00 C ATOM 1457 CE2 PHE A 94 8.473 12.699 -0.390 1.00 0.00 C ATOM 1458 CZ PHE A 94 9.453 11.743 -0.584 1.00 0.00 C ATOM 0 H PHE A 94 8.148 12.183 -4.975 1.00 0.00 H new ATOM 0 HA PHE A 94 5.225 12.324 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.141 12.261 -2.519 1.00 0.00 H new ATOM 0 HB3 PHE A 94 5.622 10.724 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.053 10.046 -3.132 1.00 0.00 H new ATOM 0 HD2 PHE A 94 6.577 13.441 -1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.063 10.044 -1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 94 8.592 13.447 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 94 10.338 11.742 0.036 1.00 0.00 H new ATOM 1468 N HIS A 95 5.446 14.748 -4.440 1.00 0.00 N ATOM 1469 CA HIS A 95 5.594 16.185 -4.254 1.00 0.00 C ATOM 1470 C HIS A 95 5.010 16.603 -2.911 1.00 0.00 C ATOM 1471 O HIS A 95 3.828 16.385 -2.643 1.00 0.00 O ATOM 1472 CB HIS A 95 4.898 16.948 -5.388 1.00 0.00 C ATOM 1473 CG HIS A 95 5.450 16.649 -6.749 1.00 0.00 C ATOM 1474 ND1 HIS A 95 4.663 16.548 -7.874 1.00 0.00 N ATOM 1475 CD2 HIS A 95 6.720 16.427 -7.163 1.00 0.00 C ATOM 1476 CE1 HIS A 95 5.423 16.278 -8.918 1.00 0.00 C ATOM 1477 NE2 HIS A 95 6.677 16.199 -8.515 1.00 0.00 N ATOM 0 H HIS A 95 4.515 14.456 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 95 6.656 16.428 -4.271 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.835 16.706 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.984 18.018 -5.199 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.604 16.429 -6.543 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.077 16.144 -9.932 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.481 16.001 -9.110 1.00 0.00 H new ATOM 1486 N GLY A 96 5.843 17.191 -2.067 1.00 0.00 N ATOM 1487 CA GLY A 96 5.395 17.628 -0.762 1.00 0.00 C ATOM 1488 C GLY A 96 6.211 17.009 0.350 1.00 0.00 C ATOM 1489 O GLY A 96 7.326 16.541 0.122 1.00 0.00 O ATOM 0 H GLY A 96 6.827 17.374 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.462 18.714 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.345 17.365 -0.632 1.00 0.00 H new ATOM 1493 N THR A 97 5.670 17.015 1.555 1.00 0.00 N ATOM 1494 CA THR A 97 6.328 16.399 2.688 1.00 0.00 C ATOM 1495 C THR A 97 5.351 15.481 3.410 1.00 0.00 C ATOM 1496 O THR A 97 4.205 15.856 3.658 1.00 0.00 O ATOM 1497 CB THR A 97 6.882 17.467 3.649 1.00 0.00 C ATOM 1498 OG1 THR A 97 7.751 18.351 2.925 1.00 0.00 O ATOM 1499 CG2 THR A 97 7.650 16.827 4.798 1.00 0.00 C ATOM 0 H THR A 97 4.770 17.443 1.773 1.00 0.00 H new ATOM 0 HA THR A 97 7.170 15.809 2.327 1.00 0.00 H new ATOM 0 HB THR A 97 6.044 18.024 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.104 19.033 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.029 17.605 5.460 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.986 16.167 5.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.485 16.250 4.401 1.00 0.00 H new ATOM 1507 N LEU A 98 5.816 14.292 3.757 1.00 0.00 N ATOM 1508 CA LEU A 98 4.934 13.253 4.269 1.00 0.00 C ATOM 1509 C LEU A 98 4.471 13.569 5.683 1.00 0.00 C ATOM 1510 O LEU A 98 5.274 13.817 6.582 1.00 0.00 O ATOM 1511 CB LEU A 98 5.549 11.831 4.200 1.00 0.00 C ATOM 1512 CG LEU A 98 7.084 11.680 4.177 1.00 0.00 C ATOM 1513 CD1 LEU A 98 7.654 12.057 2.817 1.00 0.00 C ATOM 1514 CD2 LEU A 98 7.750 12.476 5.294 1.00 0.00 C ATOM 0 H LEU A 98 6.797 14.021 3.694 1.00 0.00 H new ATOM 0 HA LEU A 98 4.068 13.247 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.176 11.269 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 98 5.157 11.346 3.306 1.00 0.00 H new ATOM 0 HG LEU A 98 7.307 10.628 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.738 11.941 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.230 11.407 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.404 13.094 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.830 12.342 5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.509 13.533 5.181 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.387 12.123 6.259 1.00 0.00 H new ATOM 1526 N GLN A 99 3.164 13.581 5.857 1.00 0.00 N ATOM 1527 CA GLN A 99 2.558 13.845 7.147 1.00 0.00 C ATOM 1528 C GLN A 99 1.521 12.769 7.439 1.00 0.00 C ATOM 1529 O GLN A 99 1.037 12.113 6.524 1.00 0.00 O ATOM 1530 CB GLN A 99 1.923 15.239 7.151 1.00 0.00 C ATOM 1531 CG GLN A 99 0.764 15.390 6.181 1.00 0.00 C ATOM 1532 CD GLN A 99 0.303 16.827 6.048 1.00 0.00 C ATOM 1533 OE1 GLN A 99 1.097 17.760 6.176 1.00 0.00 O ATOM 1534 NE2 GLN A 99 -0.979 17.019 5.786 1.00 0.00 N ATOM 0 H GLN A 99 2.493 13.408 5.109 1.00 0.00 H new ATOM 0 HA GLN A 99 3.318 13.821 7.928 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.573 15.465 8.158 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.687 15.976 6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 99 1.063 15.015 5.202 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -0.070 14.774 6.517 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.605 16.220 5.687 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.342 17.967 5.683 1.00 0.00 H new ATOM 1543 N ALA A 100 1.202 12.566 8.702 1.00 0.00 N ATOM 1544 CA ALA A 100 0.253 11.529 9.073 1.00 0.00 C ATOM 1545 C ALA A 100 -1.065 12.123 9.558 1.00 0.00 C ATOM 1546 O ALA A 100 -1.137 12.673 10.654 1.00 0.00 O ATOM 1547 CB ALA A 100 0.855 10.620 10.132 1.00 0.00 C ATOM 0 H ALA A 100 1.581 13.099 9.485 1.00 0.00 H new ATOM 0 HA ALA A 100 0.037 10.938 8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.134 9.848 10.401 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.758 10.153 9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.105 11.207 11.016 1.00 0.00 H new ATOM 1553 N HIS A 101 -2.099 12.029 8.728 1.00 0.00 N ATOM 1554 CA HIS A 101 -3.426 12.515 9.096 1.00 0.00 C ATOM 1555 C HIS A 101 -4.147 11.501 9.986 1.00 0.00 C ATOM 1556 O HIS A 101 -4.267 11.690 11.193 1.00 0.00 O ATOM 1557 CB HIS A 101 -4.253 12.796 7.832 1.00 0.00 C ATOM 1558 CG HIS A 101 -5.668 13.203 8.106 1.00 0.00 C ATOM 1559 ND1 HIS A 101 -6.752 12.478 7.663 1.00 0.00 N ATOM 1560 CD2 HIS A 101 -6.175 14.256 8.785 1.00 0.00 C ATOM 1561 CE1 HIS A 101 -7.863 13.064 8.058 1.00 0.00 C ATOM 1562 NE2 HIS A 101 -7.543 14.146 8.743 1.00 0.00 N ATOM 0 H HIS A 101 -2.044 11.620 7.795 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.311 13.442 9.658 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.764 13.583 7.258 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.257 11.903 7.207 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -6.702 11.620 7.114 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.610 15.038 9.270 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.866 12.718 7.856 1.00 0.00 H new ATOM 1571 N GLU A 102 -4.613 10.419 9.378 1.00 0.00 N ATOM 1572 CA GLU A 102 -5.310 9.362 10.097 1.00 0.00 C ATOM 1573 C GLU A 102 -4.339 8.288 10.562 1.00 0.00 C ATOM 1574 O GLU A 102 -4.713 7.131 10.755 1.00 0.00 O ATOM 1575 CB GLU A 102 -6.369 8.735 9.200 1.00 0.00 C ATOM 1576 CG GLU A 102 -7.724 9.412 9.301 1.00 0.00 C ATOM 1577 CD GLU A 102 -8.836 8.570 8.716 1.00 0.00 C ATOM 1578 OE1 GLU A 102 -8.905 7.365 9.039 1.00 0.00 O ATOM 1579 OE2 GLU A 102 -9.645 9.106 7.934 1.00 0.00 O ATOM 0 H GLU A 102 -4.519 10.250 8.377 1.00 0.00 H new ATOM 0 HA GLU A 102 -5.785 9.804 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.028 8.775 8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.477 7.682 9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.944 9.623 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.687 10.371 8.783 1.00 0.00 H new ATOM 1586 N HIS A 103 -3.094 8.674 10.741 1.00 0.00 N ATOM 1587 CA HIS A 103 -2.062 7.746 11.153 1.00 0.00 C ATOM 1588 C HIS A 103 -1.254 8.372 12.277 1.00 0.00 C ATOM 1589 O HIS A 103 -1.105 9.591 12.324 1.00 0.00 O ATOM 1590 CB HIS A 103 -1.169 7.380 9.960 1.00 0.00 C ATOM 1591 CG HIS A 103 -1.895 6.630 8.876 1.00 0.00 C ATOM 1592 ND1 HIS A 103 -2.695 7.238 7.923 1.00 0.00 N ATOM 1593 CD2 HIS A 103 -1.937 5.306 8.601 1.00 0.00 C ATOM 1594 CE1 HIS A 103 -3.195 6.313 7.120 1.00 0.00 C ATOM 1595 NE2 HIS A 103 -2.747 5.139 7.512 1.00 0.00 N ATOM 0 H HIS A 103 -2.770 9.632 10.606 1.00 0.00 H new ATOM 0 HA HIS A 103 -2.516 6.824 11.518 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.746 8.292 9.539 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.334 6.775 10.313 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -2.871 8.240 7.851 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -1.425 4.524 9.142 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.857 6.491 6.286 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.969 4.246 7.073 1.00 0.00 H new ATOM 1604 N GLN A 104 -0.759 7.550 13.188 1.00 0.00 N ATOM 1605 CA GLN A 104 -0.070 8.058 14.367 1.00 0.00 C ATOM 1606 C GLN A 104 1.390 8.380 14.067 1.00 0.00 C ATOM 1607 O GLN A 104 1.810 9.531 14.171 1.00 0.00 O ATOM 1608 CB GLN A 104 -0.177 7.055 15.516 1.00 0.00 C ATOM 1609 CG GLN A 104 0.564 7.483 16.774 1.00 0.00 C ATOM 1610 CD GLN A 104 0.254 6.604 17.971 1.00 0.00 C ATOM 1611 OE1 GLN A 104 -0.975 6.120 18.055 1.00 0.00 O flip ATOM 1612 NE2 GLN A 104 1.110 6.379 18.826 1.00 0.00 N flip ATOM 0 H GLN A 104 -0.820 6.533 13.136 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.556 8.987 14.665 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -1.229 6.905 15.758 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.214 6.093 15.184 1.00 0.00 H new ATOM 0 HG2 GLN A 104 1.637 7.462 16.582 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.303 8.515 17.010 1.00 0.00 H new ATOM 0 HE21 GLN A 104 2.047 6.770 18.725 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.883 5.801 19.635 1.00 0.00 H new ATOM 1621 N ALA A 105 2.155 7.371 13.684 1.00 0.00 N ATOM 1622 CA ALA A 105 3.575 7.551 13.433 1.00 0.00 C ATOM 1623 C ALA A 105 3.917 7.210 11.992 1.00 0.00 C ATOM 1624 O ALA A 105 3.216 6.422 11.351 1.00 0.00 O ATOM 1625 CB ALA A 105 4.394 6.698 14.390 1.00 0.00 C ATOM 0 H ALA A 105 1.817 6.420 13.540 1.00 0.00 H new ATOM 0 HA ALA A 105 3.822 8.599 13.602 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.456 6.844 14.190 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.175 6.991 15.417 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.139 5.647 14.250 1.00 0.00 H new ATOM 1631 N LEU A 106 4.990 7.806 11.492 1.00 0.00 N ATOM 1632 CA LEU A 106 5.456 7.562 10.136 1.00 0.00 C ATOM 1633 C LEU A 106 6.932 7.190 10.182 1.00 0.00 C ATOM 1634 O LEU A 106 7.737 7.916 10.768 1.00 0.00 O ATOM 1635 CB LEU A 106 5.260 8.813 9.272 1.00 0.00 C ATOM 1636 CG LEU A 106 4.459 8.609 7.986 1.00 0.00 C ATOM 1637 CD1 LEU A 106 3.042 8.173 8.305 1.00 0.00 C ATOM 1638 CD2 LEU A 106 4.448 9.883 7.156 1.00 0.00 C ATOM 0 H LEU A 106 5.561 8.471 12.014 1.00 0.00 H new ATOM 0 HA LEU A 106 4.882 6.747 9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.761 9.573 9.873 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.241 9.208 9.009 1.00 0.00 H new ATOM 0 HG LEU A 106 4.939 7.822 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.487 8.033 7.377 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.066 7.235 8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.553 8.938 8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.873 9.719 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.992 10.689 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.471 10.156 6.896 1.00 0.00 H new ATOM 1650 N VAL A 107 7.287 6.060 9.592 1.00 0.00 N ATOM 1651 CA VAL A 107 8.655 5.573 9.671 1.00 0.00 C ATOM 1652 C VAL A 107 9.155 5.058 8.322 1.00 0.00 C ATOM 1653 O VAL A 107 8.393 4.503 7.530 1.00 0.00 O ATOM 1654 CB VAL A 107 8.777 4.460 10.740 1.00 0.00 C ATOM 1655 CG1 VAL A 107 7.924 3.255 10.377 1.00 0.00 C ATOM 1656 CG2 VAL A 107 10.228 4.051 10.950 1.00 0.00 C ATOM 0 H VAL A 107 6.653 5.467 9.057 1.00 0.00 H new ATOM 0 HA VAL A 107 9.281 6.417 9.960 1.00 0.00 H new ATOM 0 HB VAL A 107 8.405 4.867 11.680 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.030 2.490 11.146 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.879 3.557 10.307 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.251 2.853 9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 107 10.279 3.268 11.707 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.640 3.677 10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.805 4.914 11.282 1.00 0.00 H new ATOM 1666 N TRP A 108 10.435 5.277 8.064 1.00 0.00 N ATOM 1667 CA TRP A 108 11.092 4.733 6.887 1.00 0.00 C ATOM 1668 C TRP A 108 11.974 3.558 7.279 1.00 0.00 C ATOM 1669 O TRP A 108 12.917 3.713 8.056 1.00 0.00 O ATOM 1670 CB TRP A 108 11.945 5.795 6.186 1.00 0.00 C ATOM 1671 CG TRP A 108 11.244 6.511 5.074 1.00 0.00 C ATOM 1672 CD1 TRP A 108 10.581 5.940 4.028 1.00 0.00 C ATOM 1673 CD2 TRP A 108 11.170 7.926 4.873 1.00 0.00 C ATOM 1674 NE1 TRP A 108 10.082 6.911 3.197 1.00 0.00 N ATOM 1675 CE2 TRP A 108 10.431 8.139 3.693 1.00 0.00 C ATOM 1676 CE3 TRP A 108 11.649 9.034 5.578 1.00 0.00 C ATOM 1677 CZ2 TRP A 108 10.164 9.413 3.203 1.00 0.00 C ATOM 1678 CZ3 TRP A 108 11.383 10.298 5.089 1.00 0.00 C ATOM 1679 CH2 TRP A 108 10.646 10.478 3.912 1.00 0.00 C ATOM 0 H TRP A 108 11.045 5.834 8.662 1.00 0.00 H new ATOM 0 HA TRP A 108 10.317 4.399 6.197 1.00 0.00 H new ATOM 0 HB2 TRP A 108 12.273 6.527 6.924 1.00 0.00 H new ATOM 0 HB3 TRP A 108 12.842 5.320 5.788 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.465 4.877 3.876 1.00 0.00 H new ATOM 0 HE1 TRP A 108 9.540 6.745 2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 108 12.216 8.904 6.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 9.596 9.556 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 11.750 11.162 5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 108 10.454 11.480 3.557 1.00 0.00 H new ATOM 1690 N CYS A 109 11.661 2.389 6.752 1.00 0.00 N ATOM 1691 CA CYS A 109 12.479 1.209 6.988 1.00 0.00 C ATOM 1692 C CYS A 109 12.655 0.422 5.697 1.00 0.00 C ATOM 1693 O CYS A 109 11.831 0.519 4.788 1.00 0.00 O ATOM 1694 CB CYS A 109 11.867 0.327 8.078 1.00 0.00 C ATOM 1695 SG CYS A 109 10.189 -0.236 7.723 1.00 0.00 S ATOM 0 H CYS A 109 10.847 2.229 6.158 1.00 0.00 H new ATOM 0 HA CYS A 109 13.460 1.536 7.333 1.00 0.00 H new ATOM 0 HB2 CYS A 109 12.506 -0.544 8.226 1.00 0.00 H new ATOM 0 HB3 CYS A 109 11.861 0.881 9.017 1.00 0.00 H new ATOM 0 HG CYS A 109 9.763 -0.976 8.703 1.00 0.00 H new ATOM 1701 N SER A 110 13.724 -0.352 5.620 1.00 0.00 N ATOM 1702 CA SER A 110 14.038 -1.106 4.419 1.00 0.00 C ATOM 1703 C SER A 110 13.019 -2.231 4.222 1.00 0.00 C ATOM 1704 O SER A 110 12.383 -2.665 5.184 1.00 0.00 O ATOM 1705 CB SER A 110 15.451 -1.678 4.529 1.00 0.00 C ATOM 1706 OG SER A 110 16.394 -0.655 4.810 1.00 0.00 O ATOM 0 H SER A 110 14.393 -0.475 6.380 1.00 0.00 H new ATOM 0 HA SER A 110 13.990 -0.444 3.555 1.00 0.00 H new ATOM 0 HB2 SER A 110 15.482 -2.432 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 110 15.718 -2.178 3.598 1.00 0.00 H new ATOM 0 HG SER A 110 17.290 -1.046 4.877 1.00 0.00 H new ATOM 1712 N PRO A 111 12.843 -2.714 2.978 1.00 0.00 N ATOM 1713 CA PRO A 111 11.880 -3.779 2.665 1.00 0.00 C ATOM 1714 C PRO A 111 12.032 -5.000 3.573 1.00 0.00 C ATOM 1715 O PRO A 111 11.061 -5.472 4.161 1.00 0.00 O ATOM 1716 CB PRO A 111 12.196 -4.149 1.206 1.00 0.00 C ATOM 1717 CG PRO A 111 13.475 -3.451 0.872 1.00 0.00 C ATOM 1718 CD PRO A 111 13.553 -2.256 1.776 1.00 0.00 C ATOM 0 HA PRO A 111 10.854 -3.443 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 111 12.299 -5.228 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 111 11.393 -3.832 0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 111 14.329 -4.111 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 111 13.490 -3.148 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 111 14.585 -1.981 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 111 13.077 -1.381 1.333 1.00 0.00 H new ATOM 1726 N GLU A 112 13.259 -5.481 3.709 1.00 0.00 N ATOM 1727 CA GLU A 112 13.539 -6.665 4.517 1.00 0.00 C ATOM 1728 C GLU A 112 13.199 -6.414 5.988 1.00 0.00 C ATOM 1729 O GLU A 112 12.703 -7.303 6.682 1.00 0.00 O ATOM 1730 CB GLU A 112 15.013 -7.054 4.367 1.00 0.00 C ATOM 1731 CG GLU A 112 15.975 -5.944 4.765 1.00 0.00 C ATOM 1732 CD GLU A 112 17.414 -6.259 4.429 1.00 0.00 C ATOM 1733 OE1 GLU A 112 18.015 -7.121 5.101 1.00 0.00 O ATOM 1734 OE2 GLU A 112 17.954 -5.638 3.492 1.00 0.00 O ATOM 0 H GLU A 112 14.082 -5.069 3.269 1.00 0.00 H new ATOM 0 HA GLU A 112 12.915 -7.486 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.213 -7.934 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 112 15.203 -7.335 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.684 -5.022 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.889 -5.764 5.837 1.00 0.00 H new ATOM 1741 N GLU A 113 13.452 -5.190 6.439 1.00 0.00 N ATOM 1742 CA GLU A 113 13.192 -4.792 7.817 1.00 0.00 C ATOM 1743 C GLU A 113 11.693 -4.747 8.083 1.00 0.00 C ATOM 1744 O GLU A 113 11.223 -5.191 9.127 1.00 0.00 O ATOM 1745 CB GLU A 113 13.793 -3.405 8.079 1.00 0.00 C ATOM 1746 CG GLU A 113 15.261 -3.275 7.692 1.00 0.00 C ATOM 1747 CD GLU A 113 16.195 -3.991 8.642 1.00 0.00 C ATOM 1748 OE1 GLU A 113 16.612 -3.374 9.646 1.00 0.00 O ATOM 1749 OE2 GLU A 113 16.537 -5.160 8.384 1.00 0.00 O ATOM 0 H GLU A 113 13.843 -4.447 5.860 1.00 0.00 H new ATOM 0 HA GLU A 113 13.651 -5.524 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 113 13.217 -2.662 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.686 -3.170 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 113 15.401 -3.673 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 113 15.528 -2.219 7.657 1.00 0.00 H new ATOM 1756 N ALA A 114 10.952 -4.226 7.109 1.00 0.00 N ATOM 1757 CA ALA A 114 9.518 -3.993 7.251 1.00 0.00 C ATOM 1758 C ALA A 114 8.751 -5.279 7.542 1.00 0.00 C ATOM 1759 O ALA A 114 7.852 -5.294 8.381 1.00 0.00 O ATOM 1760 CB ALA A 114 8.971 -3.331 5.992 1.00 0.00 C ATOM 0 H ALA A 114 11.328 -3.954 6.201 1.00 0.00 H new ATOM 0 HA ALA A 114 9.377 -3.330 8.105 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.900 -3.161 6.106 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.475 -2.378 5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.146 -3.981 5.134 1.00 0.00 H new ATOM 1766 N LEU A 115 9.118 -6.358 6.863 1.00 0.00 N ATOM 1767 CA LEU A 115 8.390 -7.621 6.971 1.00 0.00 C ATOM 1768 C LEU A 115 8.656 -8.306 8.315 1.00 0.00 C ATOM 1769 O LEU A 115 8.020 -9.306 8.651 1.00 0.00 O ATOM 1770 CB LEU A 115 8.782 -8.536 5.805 1.00 0.00 C ATOM 1771 CG LEU A 115 7.634 -9.307 5.131 1.00 0.00 C ATOM 1772 CD1 LEU A 115 7.199 -10.502 5.962 1.00 0.00 C ATOM 1773 CD2 LEU A 115 6.445 -8.394 4.883 1.00 0.00 C ATOM 0 H LEU A 115 9.917 -6.386 6.230 1.00 0.00 H new ATOM 0 HA LEU A 115 7.321 -7.414 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.280 -7.931 5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.514 -9.258 6.167 1.00 0.00 H new ATOM 0 HG LEU A 115 8.009 -9.674 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.387 -11.022 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.041 -11.182 6.090 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.857 -10.161 6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.645 -8.960 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.090 -7.993 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.746 -7.573 4.233 1.00 0.00 H new ATOM 1785 N GLN A 116 9.590 -7.765 9.085 1.00 0.00 N ATOM 1786 CA GLN A 116 9.873 -8.284 10.416 1.00 0.00 C ATOM 1787 C GLN A 116 9.018 -7.572 11.461 1.00 0.00 C ATOM 1788 O GLN A 116 9.098 -7.865 12.654 1.00 0.00 O ATOM 1789 CB GLN A 116 11.355 -8.116 10.753 1.00 0.00 C ATOM 1790 CG GLN A 116 12.275 -8.933 9.864 1.00 0.00 C ATOM 1791 CD GLN A 116 13.733 -8.775 10.241 1.00 0.00 C ATOM 1792 OE1 GLN A 116 14.435 -7.911 9.719 1.00 0.00 O ATOM 1793 NE2 GLN A 116 14.195 -9.602 11.160 1.00 0.00 N ATOM 0 H GLN A 116 10.164 -6.968 8.811 1.00 0.00 H new ATOM 0 HA GLN A 116 9.628 -9.346 10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 116 11.622 -7.063 10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 116 11.518 -8.403 11.792 1.00 0.00 H new ATOM 0 HG2 GLN A 116 11.998 -9.985 9.929 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.136 -8.630 8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 116 13.580 -10.305 11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.167 -9.538 11.461 1.00 0.00 H new ATOM 1802 N TYR A 117 8.200 -6.636 11.004 1.00 0.00 N ATOM 1803 CA TYR A 117 7.345 -5.865 11.891 1.00 0.00 C ATOM 1804 C TYR A 117 5.891 -6.309 11.769 1.00 0.00 C ATOM 1805 O TYR A 117 5.531 -7.004 10.818 1.00 0.00 O ATOM 1806 CB TYR A 117 7.492 -4.374 11.583 1.00 0.00 C ATOM 1807 CG TYR A 117 8.730 -3.770 12.200 1.00 0.00 C ATOM 1808 CD1 TYR A 117 9.940 -3.788 11.525 1.00 0.00 C ATOM 1809 CD2 TYR A 117 8.692 -3.199 13.465 1.00 0.00 C ATOM 1810 CE1 TYR A 117 11.081 -3.255 12.090 1.00 0.00 C ATOM 1811 CE2 TYR A 117 9.828 -2.659 14.037 1.00 0.00 C ATOM 1812 CZ TYR A 117 11.020 -2.693 13.346 1.00 0.00 C ATOM 1813 OH TYR A 117 12.158 -2.163 13.912 1.00 0.00 O ATOM 0 H TYR A 117 8.111 -6.392 10.018 1.00 0.00 H new ATOM 0 HA TYR A 117 7.656 -6.042 12.921 1.00 0.00 H new ATOM 0 HB2 TYR A 117 7.523 -4.232 10.503 1.00 0.00 H new ATOM 0 HB3 TYR A 117 6.613 -3.843 11.949 1.00 0.00 H new ATOM 0 HD1 TYR A 117 9.991 -4.227 10.539 1.00 0.00 H new ATOM 0 HD2 TYR A 117 7.760 -3.177 14.010 1.00 0.00 H new ATOM 0 HE1 TYR A 117 12.016 -3.278 11.550 1.00 0.00 H new ATOM 0 HE2 TYR A 117 9.782 -2.213 15.020 1.00 0.00 H new ATOM 0 HH TYR A 117 11.946 -1.805 14.799 1.00 0.00 H new ATOM 1823 N PRO A 118 5.039 -5.926 12.740 1.00 0.00 N ATOM 1824 CA PRO A 118 3.625 -6.303 12.740 1.00 0.00 C ATOM 1825 C PRO A 118 2.827 -5.565 11.666 1.00 0.00 C ATOM 1826 O PRO A 118 2.063 -4.644 11.952 1.00 0.00 O ATOM 1827 CB PRO A 118 3.145 -5.924 14.142 1.00 0.00 C ATOM 1828 CG PRO A 118 4.071 -4.849 14.594 1.00 0.00 C ATOM 1829 CD PRO A 118 5.390 -5.100 13.911 1.00 0.00 C ATOM 0 HA PRO A 118 3.486 -7.360 12.512 1.00 0.00 H new ATOM 0 HB2 PRO A 118 2.113 -5.573 14.124 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.178 -6.781 14.815 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.680 -3.866 14.332 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.186 -4.868 15.678 1.00 0.00 H new ATOM 0 HD2 PRO A 118 5.868 -4.167 13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 118 6.087 -5.618 14.569 1.00 0.00 H new ATOM 1837 N LEU A 119 3.049 -5.961 10.426 1.00 0.00 N ATOM 1838 CA LEU A 119 2.303 -5.437 9.294 1.00 0.00 C ATOM 1839 C LEU A 119 0.961 -6.150 9.179 1.00 0.00 C ATOM 1840 O LEU A 119 0.820 -7.289 9.636 1.00 0.00 O ATOM 1841 CB LEU A 119 3.103 -5.633 8.003 1.00 0.00 C ATOM 1842 CG LEU A 119 4.342 -4.750 7.843 1.00 0.00 C ATOM 1843 CD1 LEU A 119 5.054 -5.074 6.540 1.00 0.00 C ATOM 1844 CD2 LEU A 119 3.960 -3.279 7.885 1.00 0.00 C ATOM 0 H LEU A 119 3.752 -6.656 10.174 1.00 0.00 H new ATOM 0 HA LEU A 119 2.130 -4.372 9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.414 -6.676 7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 119 2.440 -5.452 7.157 1.00 0.00 H new ATOM 0 HG LEU A 119 5.020 -4.953 8.672 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.934 -4.439 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.360 -6.120 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.379 -4.896 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.855 -2.667 7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.264 -3.061 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.487 -3.053 8.841 1.00 0.00 H new ATOM 1856 N ALA A 120 -0.026 -5.478 8.596 1.00 0.00 N ATOM 1857 CA ALA A 120 -1.328 -6.089 8.366 1.00 0.00 C ATOM 1858 C ALA A 120 -1.191 -7.324 7.469 1.00 0.00 C ATOM 1859 O ALA A 120 -0.303 -7.383 6.617 1.00 0.00 O ATOM 1860 CB ALA A 120 -2.287 -5.076 7.755 1.00 0.00 C ATOM 0 H ALA A 120 0.051 -4.513 8.275 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.737 -6.411 9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.256 -5.547 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.406 -4.232 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.887 -4.724 6.804 1.00 0.00 H new ATOM 1866 N PRO A 121 -2.072 -8.329 7.650 1.00 0.00 N ATOM 1867 CA PRO A 121 -1.995 -9.613 6.930 1.00 0.00 C ATOM 1868 C PRO A 121 -1.991 -9.471 5.406 1.00 0.00 C ATOM 1869 O PRO A 121 -1.555 -10.378 4.697 1.00 0.00 O ATOM 1870 CB PRO A 121 -3.252 -10.368 7.388 1.00 0.00 C ATOM 1871 CG PRO A 121 -4.130 -9.337 8.014 1.00 0.00 C ATOM 1872 CD PRO A 121 -3.207 -8.303 8.583 1.00 0.00 C ATOM 0 HA PRO A 121 -1.058 -10.123 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.750 -10.849 6.546 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -3.000 -11.154 8.100 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -4.803 -8.897 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -4.753 -9.776 8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.676 -7.320 8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -2.901 -8.550 9.599 1.00 0.00 H new ATOM 1880 N ALA A 122 -2.472 -8.339 4.902 1.00 0.00 N ATOM 1881 CA ALA A 122 -2.529 -8.111 3.463 1.00 0.00 C ATOM 1882 C ALA A 122 -1.250 -7.456 2.960 1.00 0.00 C ATOM 1883 O ALA A 122 -0.880 -7.610 1.797 1.00 0.00 O ATOM 1884 CB ALA A 122 -3.727 -7.248 3.106 1.00 0.00 C ATOM 0 H ALA A 122 -2.827 -7.568 5.467 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.633 -9.081 2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.752 -7.089 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.643 -7.749 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.647 -6.286 3.613 1.00 0.00 H new ATOM 1890 N ASP A 123 -0.574 -6.748 3.852 1.00 0.00 N ATOM 1891 CA ASP A 123 0.615 -5.976 3.502 1.00 0.00 C ATOM 1892 C ASP A 123 1.827 -6.884 3.398 1.00 0.00 C ATOM 1893 O ASP A 123 2.796 -6.576 2.702 1.00 0.00 O ATOM 1894 CB ASP A 123 0.875 -4.897 4.558 1.00 0.00 C ATOM 1895 CG ASP A 123 -0.238 -3.866 4.640 1.00 0.00 C ATOM 1896 OD1 ASP A 123 -1.400 -4.261 4.894 1.00 0.00 O ATOM 1897 OD2 ASP A 123 0.050 -2.663 4.477 1.00 0.00 O ATOM 0 H ASP A 123 -0.831 -6.691 4.837 1.00 0.00 H new ATOM 0 HA ASP A 123 0.442 -5.502 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.996 -5.371 5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.814 -4.392 4.330 1.00 0.00 H new ATOM 1902 N ILE A 124 1.753 -8.018 4.081 1.00 0.00 N ATOM 1903 CA ILE A 124 2.851 -8.974 4.109 1.00 0.00 C ATOM 1904 C ILE A 124 3.153 -9.514 2.701 1.00 0.00 C ATOM 1905 O ILE A 124 4.267 -9.343 2.206 1.00 0.00 O ATOM 1906 CB ILE A 124 2.553 -10.141 5.078 1.00 0.00 C ATOM 1907 CG1 ILE A 124 2.357 -9.607 6.501 1.00 0.00 C ATOM 1908 CG2 ILE A 124 3.668 -11.178 5.039 1.00 0.00 C ATOM 1909 CD1 ILE A 124 1.992 -10.678 7.505 1.00 0.00 C ATOM 0 H ILE A 124 0.938 -8.299 4.626 1.00 0.00 H new ATOM 0 HA ILE A 124 3.733 -8.446 4.471 1.00 0.00 H new ATOM 0 HB ILE A 124 1.632 -10.629 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 124 3.274 -9.115 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 124 1.574 -8.848 6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 124 3.435 -11.989 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 124 3.759 -11.576 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.609 -10.712 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 124 1.869 -10.227 8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 124 1.059 -11.155 7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 124 2.785 -11.425 7.544 1.00 0.00 H new ATOM 1921 N PRO A 125 2.168 -10.149 2.019 1.00 0.00 N ATOM 1922 CA PRO A 125 2.365 -10.691 0.663 1.00 0.00 C ATOM 1923 C PRO A 125 2.790 -9.622 -0.343 1.00 0.00 C ATOM 1924 O PRO A 125 3.462 -9.917 -1.333 1.00 0.00 O ATOM 1925 CB PRO A 125 0.986 -11.253 0.283 1.00 0.00 C ATOM 1926 CG PRO A 125 0.033 -10.628 1.239 1.00 0.00 C ATOM 1927 CD PRO A 125 0.802 -10.405 2.503 1.00 0.00 C ATOM 0 HA PRO A 125 3.162 -11.434 0.647 1.00 0.00 H new ATOM 0 HB2 PRO A 125 0.730 -11.005 -0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 125 0.968 -12.340 0.363 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -0.353 -9.687 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -0.825 -11.276 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.410 -9.561 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 125 0.762 -11.275 3.158 1.00 0.00 H new ATOM 1935 N LEU A 126 2.407 -8.379 -0.078 1.00 0.00 N ATOM 1936 CA LEU A 126 2.723 -7.277 -0.973 1.00 0.00 C ATOM 1937 C LEU A 126 4.186 -6.884 -0.827 1.00 0.00 C ATOM 1938 O LEU A 126 4.891 -6.691 -1.817 1.00 0.00 O ATOM 1939 CB LEU A 126 1.820 -6.076 -0.671 1.00 0.00 C ATOM 1940 CG LEU A 126 0.321 -6.334 -0.833 1.00 0.00 C ATOM 1941 CD1 LEU A 126 -0.483 -5.125 -0.375 1.00 0.00 C ATOM 1942 CD2 LEU A 126 -0.008 -6.680 -2.278 1.00 0.00 C ATOM 0 H LEU A 126 1.877 -8.111 0.751 1.00 0.00 H new ATOM 0 HA LEU A 126 2.548 -7.598 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.008 -5.748 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.104 -5.253 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 126 0.049 -7.183 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.547 -5.328 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.271 -4.924 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.208 -4.257 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.079 -6.860 -2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.280 -5.852 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.539 -7.576 -2.571 1.00 0.00 H new ATOM 1954 N LEU A 127 4.642 -6.787 0.415 1.00 0.00 N ATOM 1955 CA LEU A 127 6.025 -6.428 0.685 1.00 0.00 C ATOM 1956 C LEU A 127 6.947 -7.572 0.279 1.00 0.00 C ATOM 1957 O LEU A 127 8.041 -7.339 -0.247 1.00 0.00 O ATOM 1958 CB LEU A 127 6.206 -6.066 2.166 1.00 0.00 C ATOM 1959 CG LEU A 127 7.568 -5.466 2.548 1.00 0.00 C ATOM 1960 CD1 LEU A 127 8.635 -6.541 2.683 1.00 0.00 C ATOM 1961 CD2 LEU A 127 7.991 -4.431 1.519 1.00 0.00 C ATOM 0 H LEU A 127 4.076 -6.951 1.247 1.00 0.00 H new ATOM 0 HA LEU A 127 6.288 -5.550 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 127 5.427 -5.356 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.046 -6.965 2.762 1.00 0.00 H new ATOM 0 HG LEU A 127 7.459 -4.983 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.584 -6.079 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.342 -7.249 3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.745 -7.066 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.957 -4.013 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.071 -4.903 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.249 -3.634 1.478 1.00 0.00 H new ATOM 1973 N GLU A 128 6.494 -8.802 0.514 1.00 0.00 N ATOM 1974 CA GLU A 128 7.231 -9.994 0.108 1.00 0.00 C ATOM 1975 C GLU A 128 7.670 -9.894 -1.347 1.00 0.00 C ATOM 1976 O GLU A 128 8.828 -10.149 -1.675 1.00 0.00 O ATOM 1977 CB GLU A 128 6.357 -11.234 0.300 1.00 0.00 C ATOM 1978 CG GLU A 128 6.334 -11.761 1.724 1.00 0.00 C ATOM 1979 CD GLU A 128 7.564 -12.579 2.053 1.00 0.00 C ATOM 1980 OE1 GLU A 128 7.872 -13.520 1.291 1.00 0.00 O ATOM 1981 OE2 GLU A 128 8.224 -12.303 3.074 1.00 0.00 O ATOM 0 H GLU A 128 5.612 -8.998 0.988 1.00 0.00 H new ATOM 0 HA GLU A 128 8.122 -10.075 0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.338 -10.998 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.713 -12.023 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 128 6.261 -10.924 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.444 -12.373 1.868 1.00 0.00 H new ATOM 1988 N ALA A 129 6.753 -9.486 -2.215 1.00 0.00 N ATOM 1989 CA ALA A 129 7.055 -9.404 -3.631 1.00 0.00 C ATOM 1990 C ALA A 129 7.807 -8.129 -3.973 1.00 0.00 C ATOM 1991 O ALA A 129 8.447 -8.048 -5.016 1.00 0.00 O ATOM 1992 CB ALA A 129 5.799 -9.505 -4.465 1.00 0.00 C ATOM 0 H ALA A 129 5.804 -9.210 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 129 7.699 -10.251 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.058 -9.440 -5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.308 -10.458 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 129 5.124 -8.689 -4.206 1.00 0.00 H new ATOM 1998 N PHE A 130 7.759 -7.136 -3.094 1.00 0.00 N ATOM 1999 CA PHE A 130 8.475 -5.896 -3.341 1.00 0.00 C ATOM 2000 C PHE A 130 9.960 -6.127 -3.146 1.00 0.00 C ATOM 2001 O PHE A 130 10.780 -5.744 -3.983 1.00 0.00 O ATOM 2002 CB PHE A 130 7.993 -4.781 -2.410 1.00 0.00 C ATOM 2003 CG PHE A 130 8.729 -3.488 -2.612 1.00 0.00 C ATOM 2004 CD1 PHE A 130 8.423 -2.666 -3.685 1.00 0.00 C ATOM 2005 CD2 PHE A 130 9.734 -3.099 -1.741 1.00 0.00 C ATOM 2006 CE1 PHE A 130 9.100 -1.482 -3.884 1.00 0.00 C ATOM 2007 CE2 PHE A 130 10.417 -1.914 -1.938 1.00 0.00 C ATOM 2008 CZ PHE A 130 10.099 -1.105 -3.009 1.00 0.00 C ATOM 0 H PHE A 130 7.239 -7.165 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 130 8.280 -5.582 -4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 130 6.928 -4.615 -2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 130 8.112 -5.102 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 130 7.644 -2.957 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 130 9.986 -3.728 -0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 130 8.849 -0.850 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 130 11.200 -1.621 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 130 10.631 -0.178 -3.163 1.00 0.00 H new ATOM 2018 N MET A 131 10.305 -6.768 -2.038 1.00 0.00 N ATOM 2019 CA MET A 131 11.688 -7.119 -1.788 1.00 0.00 C ATOM 2020 C MET A 131 12.129 -8.193 -2.779 1.00 0.00 C ATOM 2021 O MET A 131 13.288 -8.222 -3.188 1.00 0.00 O ATOM 2022 CB MET A 131 11.896 -7.580 -0.339 1.00 0.00 C ATOM 2023 CG MET A 131 11.256 -8.915 -0.012 1.00 0.00 C ATOM 2024 SD MET A 131 11.612 -9.451 1.670 1.00 0.00 S ATOM 2025 CE MET A 131 10.838 -11.063 1.668 1.00 0.00 C ATOM 0 H MET A 131 9.652 -7.051 -1.308 1.00 0.00 H new ATOM 0 HA MET A 131 12.305 -6.232 -1.930 1.00 0.00 H new ATOM 0 HB2 MET A 131 12.966 -7.645 -0.140 1.00 0.00 H new ATOM 0 HB3 MET A 131 11.492 -6.822 0.333 1.00 0.00 H new ATOM 0 HG2 MET A 131 10.177 -8.840 -0.146 1.00 0.00 H new ATOM 0 HG3 MET A 131 11.613 -9.668 -0.714 1.00 0.00 H new ATOM 0 HE1 MET A 131 10.366 -11.241 2.634 1.00 0.00 H new ATOM 0 HE2 MET A 131 10.083 -11.103 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.592 -11.829 1.486 1.00 0.00 H new ATOM 2035 N ALA A 132 11.196 -9.068 -3.178 1.00 0.00 N ATOM 2036 CA ALA A 132 11.447 -10.028 -4.248 1.00 0.00 C ATOM 2037 C ALA A 132 11.850 -9.314 -5.534 1.00 0.00 C ATOM 2038 O ALA A 132 12.778 -9.733 -6.228 1.00 0.00 O ATOM 2039 CB ALA A 132 10.205 -10.886 -4.490 1.00 0.00 C ATOM 0 H ALA A 132 10.262 -9.126 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 132 12.270 -10.674 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 132 10.405 -11.598 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 132 9.953 -11.427 -3.578 1.00 0.00 H new ATOM 0 HB3 ALA A 132 9.370 -10.246 -4.774 1.00 0.00 H new ATOM 2045 N LEU A 133 11.172 -8.210 -5.824 1.00 0.00 N ATOM 2046 CA LEU A 133 11.425 -7.447 -7.036 1.00 0.00 C ATOM 2047 C LEU A 133 12.825 -6.849 -7.023 1.00 0.00 C ATOM 2048 O LEU A 133 13.481 -6.762 -8.062 1.00 0.00 O ATOM 2049 CB LEU A 133 10.388 -6.332 -7.190 1.00 0.00 C ATOM 2050 CG LEU A 133 9.392 -6.515 -8.337 1.00 0.00 C ATOM 2051 CD1 LEU A 133 8.586 -7.793 -8.161 1.00 0.00 C ATOM 2052 CD2 LEU A 133 8.471 -5.311 -8.430 1.00 0.00 C ATOM 0 H LEU A 133 10.438 -7.823 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 133 11.347 -8.129 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 133 9.830 -6.247 -6.257 1.00 0.00 H new ATOM 0 HB3 LEU A 133 10.913 -5.388 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 133 9.954 -6.599 -9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 133 7.886 -7.899 -8.990 1.00 0.00 H new ATOM 0 HD12 LEU A 133 9.260 -8.649 -8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 133 8.033 -7.748 -7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.767 -5.454 -9.250 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.921 -5.200 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 133 9.062 -4.414 -8.612 1.00 0.00 H new ATOM 2064 N ARG A 134 13.278 -6.427 -5.852 1.00 0.00 N ATOM 2065 CA ARG A 134 14.597 -5.823 -5.724 1.00 0.00 C ATOM 2066 C ARG A 134 15.706 -6.871 -5.668 1.00 0.00 C ATOM 2067 O ARG A 134 16.831 -6.604 -6.087 1.00 0.00 O ATOM 2068 CB ARG A 134 14.659 -4.939 -4.477 1.00 0.00 C ATOM 2069 CG ARG A 134 13.928 -3.615 -4.624 1.00 0.00 C ATOM 2070 CD ARG A 134 13.959 -2.818 -3.327 1.00 0.00 C ATOM 2071 NE ARG A 134 15.318 -2.668 -2.800 1.00 0.00 N ATOM 2072 CZ ARG A 134 15.663 -1.823 -1.824 1.00 0.00 C ATOM 2073 NH1 ARG A 134 14.795 -0.933 -1.354 1.00 0.00 N ATOM 2074 NH2 ARG A 134 16.902 -1.837 -1.354 1.00 0.00 N ATOM 0 H ARG A 134 12.754 -6.491 -4.979 1.00 0.00 H new ATOM 0 HA ARG A 134 14.759 -5.214 -6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 134 14.235 -5.486 -3.635 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.703 -4.741 -4.235 1.00 0.00 H new ATOM 0 HG2 ARG A 134 14.386 -3.031 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 134 12.894 -3.799 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 134 13.527 -1.832 -3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 134 13.336 -3.314 -2.583 1.00 0.00 H new ATOM 0 HE ARG A 134 16.051 -3.249 -3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 134 13.851 -0.889 -1.739 1.00 0.00 H new ATOM 0 HH12 ARG A 134 15.073 -0.294 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.585 -2.490 -1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 134 17.172 -1.195 -0.609 1.00 0.00 H new ATOM 2088 N ALA A 135 15.390 -8.067 -5.179 1.00 0.00 N ATOM 2089 CA ALA A 135 16.413 -9.088 -4.969 1.00 0.00 C ATOM 2090 C ALA A 135 16.547 -10.008 -6.179 1.00 0.00 C ATOM 2091 O ALA A 135 17.653 -10.375 -6.572 1.00 0.00 O ATOM 2092 CB ALA A 135 16.103 -9.901 -3.719 1.00 0.00 C ATOM 0 H ALA A 135 14.445 -8.352 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 135 17.366 -8.577 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.875 -10.658 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.078 -9.240 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.134 -10.388 -3.832 1.00 0.00 H new ATOM 2098 N ALA A 136 15.421 -10.369 -6.778 1.00 0.00 N ATOM 2099 CA ALA A 136 15.433 -11.222 -7.959 1.00 0.00 C ATOM 2100 C ALA A 136 15.571 -10.376 -9.213 1.00 0.00 C ATOM 2101 O ALA A 136 16.241 -10.768 -10.169 1.00 0.00 O ATOM 2102 CB ALA A 136 14.170 -12.066 -8.022 1.00 0.00 C ATOM 0 H ALA A 136 14.491 -10.086 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 136 16.289 -11.894 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 136 14.198 -12.696 -8.911 1.00 0.00 H new ATOM 0 HB2 ALA A 136 14.108 -12.694 -7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 136 13.298 -11.413 -8.067 1.00 0.00 H new ATOM 2108 N ARG A 137 14.939 -9.205 -9.174 1.00 0.00 N ATOM 2109 CA ARG A 137 14.953 -8.243 -10.274 1.00 0.00 C ATOM 2110 C ARG A 137 14.276 -8.817 -11.521 1.00 0.00 C ATOM 2111 O ARG A 137 14.843 -9.647 -12.225 1.00 0.00 O ATOM 2112 CB ARG A 137 16.383 -7.799 -10.601 1.00 0.00 C ATOM 2113 CG ARG A 137 16.459 -6.547 -11.464 1.00 0.00 C ATOM 2114 CD ARG A 137 16.352 -5.266 -10.639 1.00 0.00 C ATOM 2115 NE ARG A 137 15.088 -5.151 -9.902 1.00 0.00 N ATOM 2116 CZ ARG A 137 14.344 -4.040 -9.865 1.00 0.00 C ATOM 2117 NH1 ARG A 137 14.687 -2.972 -10.580 1.00 0.00 N ATOM 2118 NH2 ARG A 137 13.250 -4.007 -9.114 1.00 0.00 N ATOM 0 H ARG A 137 14.396 -8.894 -8.368 1.00 0.00 H new ATOM 0 HA ARG A 137 14.388 -7.369 -9.950 1.00 0.00 H new ATOM 0 HB2 ARG A 137 16.919 -7.619 -9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 137 16.897 -8.613 -11.112 1.00 0.00 H new ATOM 0 HG2 ARG A 137 17.400 -6.544 -12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 137 15.658 -6.569 -12.203 1.00 0.00 H new ATOM 0 HD2 ARG A 137 17.181 -5.228 -9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 137 16.458 -4.406 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 137 14.757 -5.967 -9.387 1.00 0.00 H new ATOM 0 HH11 ARG A 137 15.524 -2.996 -11.163 1.00 0.00 H new ATOM 0 HH12 ARG A 137 14.113 -2.129 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 137 12.981 -4.826 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 137 12.679 -3.163 -9.082 1.00 0.00 H new ATOM 2132 N PRO A 138 13.041 -8.372 -11.803 1.00 0.00 N ATOM 2133 CA PRO A 138 12.265 -8.832 -12.967 1.00 0.00 C ATOM 2134 C PRO A 138 12.866 -8.379 -14.287 1.00 0.00 C ATOM 2135 O PRO A 138 12.418 -8.766 -15.369 1.00 0.00 O ATOM 2136 CB PRO A 138 10.895 -8.185 -12.767 1.00 0.00 C ATOM 2137 CG PRO A 138 10.868 -7.743 -11.344 1.00 0.00 C ATOM 2138 CD PRO A 138 12.285 -7.406 -11.000 1.00 0.00 C ATOM 0 HA PRO A 138 12.238 -9.920 -13.022 1.00 0.00 H new ATOM 0 HB2 PRO A 138 10.757 -7.341 -13.443 1.00 0.00 H new ATOM 0 HB3 PRO A 138 10.093 -8.893 -12.973 1.00 0.00 H new ATOM 0 HG2 PRO A 138 10.217 -6.878 -11.214 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.484 -8.531 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO A 138 12.533 -6.377 -11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 138 12.483 -7.520 -9.934 1.00 0.00 H new ATOM 2146 N ALA A 139 13.869 -7.547 -14.175 1.00 0.00 N ATOM 2147 CA ALA A 139 14.604 -7.055 -15.325 1.00 0.00 C ATOM 2148 C ALA A 139 15.879 -7.871 -15.525 1.00 0.00 C ATOM 2149 O ALA A 139 16.980 -7.415 -15.209 1.00 0.00 O ATOM 2150 CB ALA A 139 14.929 -5.577 -15.162 1.00 0.00 C ATOM 0 H ALA A 139 14.205 -7.186 -13.282 1.00 0.00 H new ATOM 0 HA ALA A 139 13.979 -7.167 -16.211 1.00 0.00 H new ATOM 0 HB1 ALA A 139 15.480 -5.227 -16.035 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.003 -5.009 -15.066 1.00 0.00 H new ATOM 0 HB3 ALA A 139 15.536 -5.434 -14.268 1.00 0.00 H new ATOM 2156 N ASP A 140 15.709 -9.093 -16.013 1.00 0.00 N ATOM 2157 CA ASP A 140 16.823 -10.000 -16.260 1.00 0.00 C ATOM 2158 C ASP A 140 16.350 -11.192 -17.077 1.00 0.00 C ATOM 2159 O ASP A 140 16.738 -11.299 -18.256 1.00 0.00 O ATOM 2160 CB ASP A 140 17.452 -10.487 -14.949 1.00 0.00 C ATOM 2161 CG ASP A 140 18.592 -11.461 -15.190 1.00 0.00 C ATOM 2162 OD1 ASP A 140 19.547 -11.102 -15.911 1.00 0.00 O ATOM 2163 OD2 ASP A 140 18.544 -12.592 -14.654 1.00 0.00 O ATOM 2164 OXT ASP A 140 15.560 -12.003 -16.547 1.00 0.00 O ATOM 0 H ASP A 140 14.796 -9.483 -16.249 1.00 0.00 H new ATOM 0 HA ASP A 140 17.583 -9.452 -16.817 1.00 0.00 H new ATOM 0 HB2 ASP A 140 17.821 -9.631 -14.384 1.00 0.00 H new ATOM 0 HB3 ASP A 140 16.688 -10.967 -14.337 1.00 0.00 H new TER 2169 ASP A 140