USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 81 THR OG1 : rot -60:sc= 0.235 USER MOD Set 1.2: A 135 HIS : no HD1:sc= -0.0214 X(o=0.21,f=-0.00021) USER MOD Set 2.1: A 96 HIS : no HD1:sc= 0.494 K(o=0.87,f=-3.2!) USER MOD Set 2.2: A 98 TYR OH : rot -70:sc= 0.375 USER MOD Set 3.1: A 83 THR OG1 : rot 180:sc= 0.701 USER MOD Set 3.2: A 133 SER OG : rot 89:sc= 0.811 USER MOD Set 4.1: A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 80 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4.6!) USER MOD Set 5.1: A 66 SER OG : rot -112:sc= 0.258 USER MOD Set 5.2: A 68 ASN : amide:sc= 0.656 K(o=0.91,f=-0.93) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 1 HIS N :NH3+ 144:sc= 0.0194 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.244 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.12) USER MOD Single : A 24 ASN : amide:sc=-0.000562 K(o=-0.00056,f=-1) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 29 MET CE :methyl 159:sc= -0.787 (180deg=-1.82!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 34 SER OG : rot -37:sc= 0.0434 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.15) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0.101 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0.665 K(o=0.66,f=-2.1!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 3:sc= 1.15 USER MOD Single : A 87 THR OG1 : rot -59:sc= 0.0839 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.392 USER MOD Single : A 93 SER OG : rot 180:sc= 0.0844 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 126 SER OG : rot -119:sc= 0.651 USER MOD Single : A 129 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 131 ASN : amide:sc= -0.309 K(o=-0.31,f=-3!) USER MOD Single : A 134 HIS : no HD1:sc= -0.866 K(o=-0.87,f=-3.6!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.34) USER MOD Single : A 157 THR OG1 : rot 80:sc= 0.204 USER MOD Single : A 159 ASN : amide:sc= 0.111 K(o=0.11,f=-0.41) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.3) USER MOD Single : A 171 ASN : amide:sc= -0.526 K(o=-0.53,f=-3.9!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.530 0.204 -0.248 1.00 25.00 N ATOM 2 CA HIS A 1 0.787 0.795 -0.870 1.00 25.00 C ATOM 3 C HIS A 1 0.554 1.188 -2.292 1.00 25.00 C ATOM 4 O HIS A 1 -0.232 0.526 -3.026 1.00 25.00 O ATOM 5 CB HIS A 1 1.899 -0.253 -0.832 1.00 0.00 C ATOM 6 CG HIS A 1 2.524 -0.399 0.516 1.00 0.00 C ATOM 7 ND1 HIS A 1 1.997 -1.299 1.359 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.333 0.412 1.232 1.00 0.00 C ATOM 9 CE1 HIS A 1 2.700 -1.154 2.509 1.00 0.00 C ATOM 10 NE2 HIS A 1 3.553 -0.078 2.461 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.289 -0.567 0.407 1.00 25.00 H new ATOM 0 H2 HIS A 1 -1.036 0.952 0.268 1.00 25.00 H new ATOM 0 H3 HIS A 1 -1.138 -0.164 -1.007 1.00 25.00 H new ATOM 0 HA HIS A 1 1.079 1.669 -0.288 1.00 25.00 H new ATOM 0 HB2 HIS A 1 1.493 -1.216 -1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.669 0.017 -1.555 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.750 1.337 0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.601 -1.808 3.363 1.00 0.00 H new ATOM 0 HE2 HIS A 1 4.192 0.262 3.179 1.00 0.00 H new ATOM 17 N GLY A 2 1.080 2.314 -2.694 1.00 25.00 N ATOM 18 CA GLY A 2 0.896 2.715 -4.046 1.00 25.00 C ATOM 19 C GLY A 2 1.876 3.745 -4.599 1.00 25.00 C ATOM 20 O GLY A 2 2.688 4.218 -3.825 1.00 25.00 O ATOM 0 H GLY A 2 1.626 2.951 -2.114 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.948 1.826 -4.674 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.112 3.117 -4.146 1.00 25.00 H new ATOM 24 N PHE A 3 1.820 4.064 -5.885 1.00 25.00 N ATOM 25 CA PHE A 3 2.850 4.956 -6.440 1.00 25.00 C ATOM 26 C PHE A 3 2.127 6.132 -7.139 1.00 25.00 C ATOM 27 O PHE A 3 0.906 6.124 -7.417 1.00 25.00 O ATOM 28 CB PHE A 3 3.821 4.287 -7.394 1.00 25.00 C ATOM 29 CG PHE A 3 3.190 3.485 -8.531 1.00 25.00 C ATOM 30 CD1 PHE A 3 2.857 4.073 -9.748 1.00 50.00 C ATOM 31 CD2 PHE A 3 2.957 2.159 -8.321 1.00 50.00 C ATOM 32 CE1 PHE A 3 2.275 3.295 -10.807 1.00 25.00 C ATOM 33 CE2 PHE A 3 2.372 1.352 -9.334 1.00 25.00 C ATOM 34 CZ PHE A 3 2.031 1.908 -10.575 1.00 25.00 C ATOM 0 H PHE A 3 1.111 3.741 -6.544 1.00 25.00 H new ATOM 0 HA PHE A 3 3.471 5.295 -5.611 1.00 25.00 H new ATOM 0 HB2 PHE A 3 4.462 5.055 -7.828 1.00 25.00 H new ATOM 0 HB3 PHE A 3 4.465 3.622 -6.819 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.038 5.127 -9.898 1.00 50.00 H new ATOM 0 HD2 PHE A 3 3.220 1.715 -7.372 1.00 50.00 H new ATOM 0 HE1 PHE A 3 2.028 3.749 -11.755 1.00 25.00 H new ATOM 0 HE2 PHE A 3 2.189 0.304 -9.147 1.00 25.00 H new ATOM 0 HZ PHE A 3 1.589 1.294 -11.346 1.00 25.00 H new ATOM 44 N ILE A 4 2.883 7.118 -7.543 1.00 25.00 N ATOM 45 CA ILE A 4 2.392 8.175 -8.359 1.00 25.00 C ATOM 46 C ILE A 4 2.381 7.706 -9.800 1.00 25.00 C ATOM 47 O ILE A 4 3.422 7.392 -10.387 1.00 25.00 O ATOM 48 CB ILE A 4 3.276 9.445 -8.233 1.00 25.00 C ATOM 49 CG1 ILE A 4 3.234 10.006 -6.796 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.998 10.623 -9.243 1.00 25.00 C ATOM 51 CD1 ILE A 4 1.806 10.301 -6.259 1.00 25.00 C ATOM 0 H ILE A 4 3.871 7.203 -7.306 1.00 25.00 H new ATOM 0 HA ILE A 4 1.386 8.435 -8.030 1.00 25.00 H new ATOM 0 HB ILE A 4 4.264 9.071 -8.501 1.00 25.00 H new ATOM 0 HG12 ILE A 4 3.720 9.295 -6.128 1.00 25.00 H new ATOM 0 HG13 ILE A 4 3.818 10.926 -6.762 1.00 25.00 H new ATOM 0 HG21 ILE A 4 3.686 11.444 -9.042 1.00 25.00 H new ATOM 0 HG22 ILE A 4 3.143 10.269 -10.264 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.972 10.971 -9.122 1.00 25.00 H new ATOM 0 HD11 ILE A 4 1.873 10.692 -5.244 1.00 25.00 H new ATOM 0 HD12 ILE A 4 1.321 11.037 -6.900 1.00 25.00 H new ATOM 0 HD13 ILE A 4 1.221 9.381 -6.256 1.00 25.00 H new ATOM 63 N GLU A 5 1.182 7.639 -10.369 1.00 25.00 N ATOM 64 CA GLU A 5 0.968 7.214 -11.750 1.00 25.00 C ATOM 65 C GLU A 5 1.293 8.369 -12.696 1.00 25.00 C ATOM 66 O GLU A 5 1.863 8.143 -13.806 1.00 25.00 O ATOM 67 CB GLU A 5 -0.471 6.760 -11.839 1.00 25.00 C ATOM 68 CG GLU A 5 -0.989 6.200 -13.204 1.00 25.00 C ATOM 69 CD GLU A 5 -0.595 4.800 -13.552 1.00 25.00 C ATOM 70 OE1 GLU A 5 0.567 4.587 -13.857 1.00 25.00 O ATOM 71 OE2 GLU A 5 -1.394 3.904 -13.485 1.00 25.00 O1- ATOM 0 H GLU A 5 0.321 7.881 -9.879 1.00 25.00 H new ATOM 0 HA GLU A 5 1.621 6.392 -12.044 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -0.623 5.989 -11.084 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -1.103 7.604 -11.565 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -2.078 6.256 -13.203 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -0.637 6.859 -13.997 1.00 25.00 H new ATOM 78 N LYS A 6 0.892 9.574 -12.327 1.00 25.00 N ATOM 79 CA LYS A 6 1.167 10.740 -13.172 1.00 25.00 C ATOM 80 C LYS A 6 1.176 11.932 -12.218 1.00 25.00 C ATOM 81 O LYS A 6 0.319 12.032 -11.386 1.00 25.00 O ATOM 82 CB LYS A 6 0.078 10.855 -14.211 1.00 25.00 C ATOM 83 CG LYS A 6 0.222 12.025 -15.222 1.00 25.00 C ATOM 84 CD LYS A 6 -0.839 12.034 -16.328 1.00 25.00 C ATOM 85 CE LYS A 6 -0.648 11.028 -17.420 1.00 25.00 C ATOM 86 NZ LYS A 6 -1.581 11.262 -18.479 1.00 25.00 N1+ ATOM 0 H LYS A 6 0.384 9.776 -11.466 1.00 25.00 H new ATOM 0 HA LYS A 6 2.113 10.676 -13.709 1.00 25.00 H new ATOM 0 HB2 LYS A 6 0.037 9.921 -14.771 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -0.877 10.961 -13.697 1.00 25.00 H new ATOM 0 HG2 LYS A 6 0.172 12.968 -14.678 1.00 25.00 H new ATOM 0 HG3 LYS A 6 1.209 11.974 -15.681 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -1.814 11.866 -15.871 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -0.863 13.028 -16.775 1.00 25.00 H new ATOM 0 HE2 LYS A 6 0.370 11.087 -17.804 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -0.782 10.021 -17.024 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -1.438 10.557 -19.230 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -2.551 11.184 -18.111 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -1.434 12.216 -18.867 1.00 25.00 H new ATOM 100 N PRO A 7 2.151 12.821 -12.385 1.00 25.00 N ATOM 101 CA PRO A 7 3.271 12.848 -13.337 1.00 25.00 C ATOM 102 C PRO A 7 4.307 11.717 -13.166 1.00 25.00 C ATOM 103 O PRO A 7 4.502 11.209 -12.069 1.00 25.00 O ATOM 104 CB PRO A 7 3.937 14.193 -13.119 1.00 25.00 C ATOM 105 CG PRO A 7 3.554 14.548 -11.679 1.00 25.00 C ATOM 106 CD PRO A 7 2.221 13.956 -11.444 1.00 25.00 C ATOM 0 HA PRO A 7 2.882 12.697 -14.344 1.00 25.00 H new ATOM 0 HB2 PRO A 7 5.018 14.131 -13.244 1.00 25.00 H new ATOM 0 HB3 PRO A 7 3.576 14.940 -13.827 1.00 25.00 H new ATOM 0 HG2 PRO A 7 4.285 14.152 -10.974 1.00 25.00 H new ATOM 0 HG3 PRO A 7 3.529 15.629 -11.539 1.00 25.00 H new ATOM 0 HD2 PRO A 7 2.110 13.624 -10.412 1.00 25.00 H new ATOM 0 HD3 PRO A 7 1.427 14.678 -11.633 1.00 25.00 H new ATOM 114 N GLY A 8 4.876 11.249 -14.272 1.00 25.00 N ATOM 115 CA GLY A 8 5.751 10.066 -14.230 1.00 25.00 C ATOM 116 C GLY A 8 7.108 10.382 -13.570 1.00 25.00 C ATOM 117 O GLY A 8 7.349 11.539 -13.191 1.00 25.00 O ATOM 0 H GLY A 8 4.755 11.658 -15.199 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.256 9.267 -13.679 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.916 9.699 -15.243 1.00 25.00 H new ATOM 121 N SER A 9 7.844 9.327 -13.326 1.00 25.00 N ATOM 122 CA SER A 9 9.049 9.448 -12.550 1.00 25.00 C ATOM 123 C SER A 9 10.221 10.170 -13.191 1.00 25.00 C ATOM 124 O SER A 9 10.232 10.310 -14.397 1.00 25.00 O ATOM 125 CB SER A 9 9.479 8.035 -12.129 1.00 25.00 C ATOM 126 OG SER A 9 9.914 7.228 -13.178 1.00 25.00 O ATOM 0 H SER A 9 7.632 8.384 -13.651 1.00 25.00 H new ATOM 0 HA SER A 9 8.788 10.093 -11.711 1.00 25.00 H new ATOM 0 HB2 SER A 9 10.279 8.116 -11.394 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.640 7.546 -11.634 1.00 25.00 H new ATOM 0 HG SER A 9 10.171 6.349 -12.830 1.00 25.00 H new ATOM 132 N ARG A 10 11.181 10.607 -12.432 1.00 25.00 N ATOM 133 CA ARG A 10 12.391 11.203 -13.031 1.00 25.00 C ATOM 134 C ARG A 10 13.237 10.099 -13.783 1.00 25.00 C ATOM 135 O ARG A 10 14.191 10.406 -14.474 1.00 25.00 O ATOM 136 CB ARG A 10 13.235 12.031 -12.082 1.00 25.00 C ATOM 137 CG ARG A 10 13.886 11.271 -10.915 1.00 25.00 C ATOM 138 CD ARG A 10 14.794 12.205 -10.000 1.00 25.00 C ATOM 139 NE ARG A 10 16.001 12.650 -10.595 1.00 25.00 N ATOM 140 CZ ARG A 10 16.630 13.799 -10.411 1.00 25.00 C ATOM 141 NH1 ARG A 10 17.771 14.004 -10.960 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 16.208 14.741 -9.648 1.00 25.00 N ATOM 0 H ARG A 10 11.175 10.574 -11.413 1.00 25.00 H new ATOM 0 HA ARG A 10 12.035 11.931 -13.760 1.00 25.00 H new ATOM 0 HB2 ARG A 10 14.024 12.515 -12.658 1.00 25.00 H new ATOM 0 HB3 ARG A 10 12.610 12.823 -11.669 1.00 25.00 H new ATOM 0 HG2 ARG A 10 13.106 10.818 -10.303 1.00 25.00 H new ATOM 0 HG3 ARG A 10 14.493 10.457 -11.311 1.00 25.00 H new ATOM 0 HD2 ARG A 10 14.210 13.077 -9.708 1.00 25.00 H new ATOM 0 HD3 ARG A 10 15.037 11.663 -9.086 1.00 25.00 H new ATOM 0 HE ARG A 10 16.441 12.002 -11.248 1.00 25.00 H new ATOM 0 HH11 ARG A 10 18.195 13.280 -11.540 1.00 25.00 H new ATOM 0 HH12 ARG A 10 18.254 14.891 -10.817 1.00 25.00 H new ATOM 0 HH21 ARG A 10 15.333 14.629 -9.135 1.00 25.00 H new ATOM 0 HH22 ARG A 10 16.747 15.602 -9.555 1.00 25.00 H new ATOM 156 N ALA A 11 12.793 8.863 -13.702 1.00 25.00 N ATOM 157 CA ALA A 11 13.434 7.835 -14.494 1.00 25.00 C ATOM 158 C ALA A 11 13.205 8.075 -15.991 1.00 25.00 C ATOM 159 O ALA A 11 14.076 7.820 -16.772 1.00 25.00 O ATOM 160 CB ALA A 11 12.931 6.396 -14.116 1.00 25.00 C ATOM 0 H ALA A 11 12.018 8.552 -13.117 1.00 25.00 H new ATOM 0 HA ALA A 11 14.500 7.893 -14.274 1.00 25.00 H new ATOM 0 HB1 ALA A 11 13.440 5.658 -14.736 1.00 25.00 H new ATOM 0 HB2 ALA A 11 13.148 6.199 -13.066 1.00 25.00 H new ATOM 0 HB3 ALA A 11 11.856 6.331 -14.283 1.00 25.00 H new ATOM 166 N ALA A 12 12.087 8.732 -16.323 1.00 25.00 N ATOM 167 CA ALA A 12 11.865 9.183 -17.688 1.00 25.00 C ATOM 168 C ALA A 12 12.971 10.191 -18.054 1.00 25.00 C ATOM 169 O ALA A 12 13.545 10.178 -19.112 1.00 25.00 O ATOM 170 CB ALA A 12 10.459 9.835 -17.732 1.00 25.00 C ATOM 0 H ALA A 12 11.336 8.957 -15.670 1.00 25.00 H new ATOM 0 HA ALA A 12 11.904 8.365 -18.407 1.00 25.00 H new ATOM 0 HB1 ALA A 12 10.253 10.188 -18.743 1.00 25.00 H new ATOM 0 HB2 ALA A 12 9.708 9.100 -17.444 1.00 25.00 H new ATOM 0 HB3 ALA A 12 10.426 10.677 -17.040 1.00 25.00 H new ATOM 176 N LEU A 13 13.212 11.115 -17.118 1.00 25.00 N ATOM 177 CA LEU A 13 14.211 12.200 -17.288 1.00 25.00 C ATOM 178 C LEU A 13 15.672 11.759 -17.283 1.00 25.00 C ATOM 179 O LEU A 13 16.603 12.447 -17.696 1.00 25.00 O ATOM 180 CB LEU A 13 14.045 13.303 -16.238 1.00 25.00 C ATOM 181 CG LEU A 13 12.724 13.980 -16.234 1.00 25.00 C ATOM 182 CD1 LEU A 13 12.657 14.849 -15.015 1.00 75.00 C ATOM 183 CD2 LEU A 13 12.478 14.749 -17.518 1.00 75.00 C ATOM 0 H LEU A 13 12.727 11.141 -16.221 1.00 25.00 H new ATOM 0 HA LEU A 13 13.992 12.573 -18.288 1.00 25.00 H new ATOM 0 HB2 LEU A 13 14.217 12.872 -15.252 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.819 14.054 -16.398 1.00 25.00 H new ATOM 0 HG LEU A 13 11.924 13.241 -16.192 1.00 25.00 H new ATOM 0 HD11 LEU A 13 11.695 15.360 -14.985 1.00 75.00 H new ATOM 0 HD12 LEU A 13 12.768 14.233 -14.123 1.00 75.00 H new ATOM 0 HD13 LEU A 13 13.459 15.586 -15.049 1.00 75.00 H new ATOM 0 HD21 LEU A 13 11.500 15.229 -17.473 1.00 75.00 H new ATOM 0 HD22 LEU A 13 13.250 15.509 -17.641 1.00 75.00 H new ATOM 0 HD23 LEU A 13 12.507 14.063 -18.364 1.00 75.00 H new ATOM 195 N CYS A 14 15.927 10.509 -16.914 1.00 25.00 N ATOM 196 CA CYS A 14 17.199 9.840 -16.842 1.00 25.00 C ATOM 197 C CYS A 14 17.523 9.254 -18.240 1.00 25.00 C ATOM 198 O CYS A 14 18.621 8.693 -18.440 1.00 25.00 O ATOM 199 CB CYS A 14 17.061 8.679 -15.839 1.00 25.00 C ATOM 200 SG CYS A 14 18.616 7.736 -15.586 1.00 25.00 S ATOM 0 H CYS A 14 15.168 9.888 -16.633 1.00 25.00 H new ATOM 0 HA CYS A 14 17.987 10.527 -16.532 1.00 25.00 H new ATOM 0 HB2 CYS A 14 16.727 9.076 -14.880 1.00 25.00 H new ATOM 0 HB3 CYS A 14 16.286 7.998 -16.189 1.00 25.00 H new ATOM 205 N SER A 15 16.609 9.248 -19.193 1.00 25.00 N ATOM 206 CA SER A 15 16.865 8.660 -20.479 1.00 25.00 C ATOM 207 C SER A 15 17.966 9.503 -21.148 1.00 25.00 C ATOM 208 O SER A 15 18.012 10.702 -21.011 1.00 25.00 O ATOM 209 CB SER A 15 15.616 8.605 -21.407 1.00 25.00 C ATOM 210 OG SER A 15 15.858 8.278 -22.787 1.00 25.00 O ATOM 0 H SER A 15 15.677 9.650 -19.091 1.00 25.00 H new ATOM 0 HA SER A 15 17.164 7.623 -20.326 1.00 25.00 H new ATOM 0 HB2 SER A 15 14.920 7.872 -20.999 1.00 25.00 H new ATOM 0 HB3 SER A 15 15.118 9.574 -21.368 1.00 25.00 H new ATOM 0 HG SER A 15 15.008 8.270 -23.275 1.00 25.00 H new ATOM 216 N GLU A 16 18.791 8.897 -21.999 1.00 25.00 N ATOM 217 CA GLU A 16 19.841 9.527 -22.764 1.00 25.00 C ATOM 218 C GLU A 16 19.446 10.346 -23.963 1.00 25.00 C ATOM 219 O GLU A 16 20.286 11.097 -24.471 1.00 25.00 O ATOM 220 CB GLU A 16 20.922 8.517 -23.196 1.00 25.00 C ATOM 221 CG GLU A 16 21.658 7.863 -21.985 1.00 25.00 C ATOM 222 CD GLU A 16 20.999 6.472 -21.601 1.00 25.00 C ATOM 223 OE1 GLU A 16 19.735 6.292 -21.566 1.00 25.00 O ATOM 224 OE2 GLU A 16 21.722 5.489 -21.256 1.00 25.00 O1- ATOM 0 H GLU A 16 18.733 7.894 -22.176 1.00 25.00 H new ATOM 0 HA GLU A 16 20.221 10.249 -22.042 1.00 25.00 H new ATOM 0 HB2 GLU A 16 20.462 7.736 -23.800 1.00 25.00 H new ATOM 0 HB3 GLU A 16 21.652 9.022 -23.829 1.00 25.00 H new ATOM 0 HG2 GLU A 16 22.710 7.715 -22.231 1.00 25.00 H new ATOM 0 HG3 GLU A 16 21.622 8.535 -21.128 1.00 25.00 H new ATOM 231 N ALA A 17 18.130 10.378 -24.283 1.00 25.00 N ATOM 232 CA ALA A 17 17.540 11.172 -25.380 1.00 25.00 C ATOM 233 C ALA A 17 17.694 12.704 -25.098 1.00 25.00 C ATOM 234 O ALA A 17 17.738 13.523 -25.973 1.00 25.00 O ATOM 235 CB ALA A 17 16.054 10.752 -25.609 1.00 25.00 C ATOM 0 H ALA A 17 17.434 9.837 -23.770 1.00 25.00 H new ATOM 0 HA ALA A 17 18.081 10.967 -26.304 1.00 25.00 H new ATOM 0 HB1 ALA A 17 15.629 11.344 -26.420 1.00 25.00 H new ATOM 0 HB2 ALA A 17 16.011 9.695 -25.870 1.00 25.00 H new ATOM 0 HB3 ALA A 17 15.483 10.924 -24.697 1.00 25.00 H new ATOM 241 N PHE A 18 17.831 12.981 -23.827 1.00 25.00 N ATOM 242 CA PHE A 18 18.059 14.359 -23.312 1.00 25.00 C ATOM 243 C PHE A 18 19.484 14.937 -23.508 1.00 25.00 C ATOM 244 O PHE A 18 19.819 16.022 -23.034 1.00 25.00 O ATOM 245 CB PHE A 18 17.670 14.465 -21.840 1.00 25.00 C ATOM 246 CG PHE A 18 16.258 14.323 -21.572 1.00 25.00 C ATOM 247 CD1 PHE A 18 15.454 15.436 -21.886 1.00 50.00 C ATOM 248 CD2 PHE A 18 15.595 13.092 -21.157 1.00 50.00 C ATOM 249 CE1 PHE A 18 14.075 15.328 -21.759 1.00 25.00 C ATOM 250 CE2 PHE A 18 14.258 13.037 -21.018 1.00 25.00 C ATOM 251 CZ PHE A 18 13.500 14.181 -21.275 1.00 25.00 C ATOM 0 H PHE A 18 17.792 12.272 -23.095 1.00 25.00 H new ATOM 0 HA PHE A 18 17.410 14.973 -23.937 1.00 25.00 H new ATOM 0 HB2 PHE A 18 18.210 13.701 -21.281 1.00 25.00 H new ATOM 0 HB3 PHE A 18 18.002 15.431 -21.460 1.00 25.00 H new ATOM 0 HD1 PHE A 18 15.903 16.360 -22.220 1.00 50.00 H new ATOM 0 HD2 PHE A 18 16.187 12.211 -20.958 1.00 50.00 H new ATOM 0 HE1 PHE A 18 13.447 16.159 -22.045 1.00 25.00 H new ATOM 0 HE2 PHE A 18 13.777 12.120 -20.712 1.00 25.00 H new ATOM 0 HZ PHE A 18 12.436 14.162 -21.088 1.00 25.00 H new ATOM 261 N GLY A 19 20.381 14.211 -24.179 1.00 25.00 N ATOM 262 CA GLY A 19 21.717 14.747 -24.456 1.00 25.00 C ATOM 263 C GLY A 19 22.892 13.769 -24.464 1.00 25.00 C ATOM 264 O GLY A 19 23.998 14.043 -24.990 1.00 25.00 O ATOM 0 H GLY A 19 20.213 13.270 -24.535 1.00 25.00 H new ATOM 0 HA2 GLY A 19 21.685 15.239 -25.428 1.00 25.00 H new ATOM 0 HA3 GLY A 19 21.928 15.518 -23.715 1.00 25.00 H new ATOM 268 N PHE A 20 22.717 12.608 -23.825 1.00 25.00 N ATOM 269 CA PHE A 20 23.614 11.416 -23.906 1.00 25.00 C ATOM 270 C PHE A 20 24.957 11.414 -23.140 1.00 25.00 C ATOM 271 O PHE A 20 25.243 10.451 -22.400 1.00 25.00 O ATOM 272 CB PHE A 20 23.785 10.915 -25.345 1.00 25.00 C ATOM 273 CG PHE A 20 24.771 9.740 -25.493 1.00 25.00 C ATOM 274 CD1 PHE A 20 24.378 8.459 -25.335 1.00 50.00 C ATOM 275 CD2 PHE A 20 26.160 10.003 -25.775 1.00 50.00 C ATOM 276 CE1 PHE A 20 25.288 7.409 -25.570 1.00 25.00 C ATOM 277 CE2 PHE A 20 27.050 8.948 -25.902 1.00 25.00 C ATOM 278 CZ PHE A 20 26.637 7.648 -25.809 1.00 25.00 C ATOM 0 H PHE A 20 21.919 12.451 -23.209 1.00 25.00 H new ATOM 0 HA PHE A 20 23.038 10.703 -23.316 1.00 25.00 H new ATOM 0 HB2 PHE A 20 22.812 10.608 -25.729 1.00 25.00 H new ATOM 0 HB3 PHE A 20 24.127 11.742 -25.967 1.00 25.00 H new ATOM 0 HD1 PHE A 20 23.366 8.238 -25.028 1.00 50.00 H new ATOM 0 HD2 PHE A 20 26.506 11.020 -25.887 1.00 50.00 H new ATOM 0 HE1 PHE A 20 24.928 6.391 -25.564 1.00 25.00 H new ATOM 0 HE2 PHE A 20 28.095 9.158 -26.079 1.00 25.00 H new ATOM 0 HZ PHE A 20 27.336 6.832 -25.918 1.00 25.00 H new ATOM 288 N LEU A 21 25.744 12.460 -23.233 1.00 25.00 N ATOM 289 CA LEU A 21 27.086 12.498 -22.621 1.00 25.00 C ATOM 290 C LEU A 21 26.952 12.368 -21.118 1.00 25.00 C ATOM 291 O LEU A 21 27.892 11.836 -20.470 1.00 25.00 O ATOM 292 CB LEU A 21 27.736 13.862 -22.921 1.00 25.00 C ATOM 293 CG LEU A 21 28.196 13.979 -24.364 1.00 25.00 C ATOM 294 CD1 LEU A 21 28.775 15.330 -24.642 1.00 50.00 C ATOM 295 CD2 LEU A 21 29.307 12.918 -24.864 1.00 50.00 C ATOM 0 H LEU A 21 25.490 13.314 -23.729 1.00 25.00 H new ATOM 0 HA LEU A 21 27.691 11.685 -23.023 1.00 25.00 H new ATOM 0 HB2 LEU A 21 27.022 14.657 -22.704 1.00 25.00 H new ATOM 0 HB3 LEU A 21 28.588 14.009 -22.258 1.00 25.00 H new ATOM 0 HG LEU A 21 27.273 13.777 -24.907 1.00 25.00 H new ATOM 0 HD11 LEU A 21 29.095 15.382 -25.683 1.00 50.00 H new ATOM 0 HD12 LEU A 21 28.021 16.094 -24.456 1.00 50.00 H new ATOM 0 HD13 LEU A 21 29.632 15.500 -23.990 1.00 50.00 H new ATOM 0 HD21 LEU A 21 29.548 13.109 -25.910 1.00 50.00 H new ATOM 0 HD22 LEU A 21 30.208 13.022 -24.259 1.00 50.00 H new ATOM 0 HD23 LEU A 21 28.916 11.906 -24.761 1.00 50.00 H new ATOM 307 N ASN A 22 25.840 12.869 -20.546 1.00 25.00 N ATOM 308 CA ASN A 22 25.607 12.858 -19.116 1.00 25.00 C ATOM 309 C ASN A 22 24.176 12.596 -18.759 1.00 25.00 C ATOM 310 O ASN A 22 23.319 12.778 -19.613 1.00 25.00 O ATOM 311 CB ASN A 22 25.932 14.244 -18.545 1.00 25.00 C ATOM 312 CG ASN A 22 27.304 14.627 -18.806 1.00 25.00 C ATOM 313 OD1 ASN A 22 28.272 13.999 -18.344 1.00 25.00 O ATOM 314 ND2 ASN A 22 27.480 15.771 -19.398 1.00 25.00 N ATOM 0 H ASN A 22 25.081 13.293 -21.080 1.00 25.00 H new ATOM 0 HA ASN A 22 26.235 12.065 -18.710 1.00 25.00 H new ATOM 0 HB2 ASN A 22 25.260 14.983 -18.981 1.00 25.00 H new ATOM 0 HB3 ASN A 22 25.753 14.245 -17.470 1.00 25.00 H new ATOM 0 HD21 ASN A 22 28.419 16.160 -19.486 1.00 25.00 H new ATOM 0 HD22 ASN A 22 26.680 16.279 -19.774 1.00 25.00 H new ATOM 321 N LEU A 23 23.872 12.264 -17.501 1.00 25.00 N ATOM 322 CA LEU A 23 22.526 11.978 -17.034 1.00 25.00 C ATOM 323 C LEU A 23 22.602 12.067 -15.483 1.00 25.00 C ATOM 324 O LEU A 23 23.649 12.166 -14.959 1.00 25.00 O ATOM 325 CB LEU A 23 22.100 10.594 -17.518 1.00 25.00 C ATOM 326 CG LEU A 23 22.414 9.316 -16.761 1.00 25.00 C ATOM 327 CD1 LEU A 23 21.917 7.961 -17.262 1.00 50.00 C ATOM 328 CD2 LEU A 23 23.971 9.142 -16.514 1.00 50.00 C ATOM 0 H LEU A 23 24.576 12.187 -16.767 1.00 25.00 H new ATOM 0 HA LEU A 23 21.782 12.676 -17.418 1.00 25.00 H new ATOM 0 HB2 LEU A 23 21.016 10.627 -17.632 1.00 25.00 H new ATOM 0 HB3 LEU A 23 22.522 10.473 -18.516 1.00 25.00 H new ATOM 0 HG LEU A 23 21.818 9.521 -15.872 1.00 25.00 H new ATOM 0 HD11 LEU A 23 22.248 7.177 -16.580 1.00 50.00 H new ATOM 0 HD12 LEU A 23 20.828 7.967 -17.307 1.00 50.00 H new ATOM 0 HD13 LEU A 23 22.320 7.771 -18.257 1.00 50.00 H new ATOM 0 HD21 LEU A 23 24.152 8.215 -15.969 1.00 50.00 H new ATOM 0 HD22 LEU A 23 24.490 9.107 -17.472 1.00 50.00 H new ATOM 0 HD23 LEU A 23 24.343 9.984 -15.930 1.00 50.00 H new ATOM 340 N ASN A 24 21.456 12.067 -14.823 1.00 25.00 N ATOM 341 CA ASN A 24 21.344 12.164 -13.357 1.00 25.00 C ATOM 342 C ASN A 24 20.072 11.476 -12.944 1.00 25.00 C ATOM 343 O ASN A 24 19.082 12.106 -12.728 1.00 25.00 O ATOM 344 CB ASN A 24 21.371 13.634 -12.864 1.00 25.00 C ATOM 345 CG ASN A 24 21.324 13.752 -11.343 1.00 25.00 C ATOM 346 OD1 ASN A 24 21.544 12.815 -10.628 1.00 25.00 O ATOM 347 ND2 ASN A 24 21.137 14.974 -10.849 1.00 25.00 N ATOM 0 H ASN A 24 20.552 11.999 -15.291 1.00 25.00 H new ATOM 0 HA ASN A 24 22.204 11.678 -12.897 1.00 25.00 H new ATOM 0 HB2 ASN A 24 22.275 14.119 -13.233 1.00 25.00 H new ATOM 0 HB3 ASN A 24 20.524 14.171 -13.291 1.00 25.00 H new ATOM 0 HD21 ASN A 24 21.179 15.129 -9.842 1.00 25.00 H new ATOM 0 HD22 ASN A 24 20.951 15.755 -11.478 1.00 25.00 H new ATOM 354 N CYS A 25 20.048 10.131 -12.932 1.00 25.00 N ATOM 355 CA CYS A 25 18.824 9.380 -12.614 1.00 25.00 C ATOM 356 C CYS A 25 18.187 9.762 -11.286 1.00 25.00 C ATOM 357 O CYS A 25 16.959 9.933 -11.255 1.00 25.00 O ATOM 358 CB CYS A 25 19.153 7.902 -12.571 1.00 25.00 C ATOM 359 SG CYS A 25 18.442 6.782 -13.812 1.00 25.00 S ATOM 0 H CYS A 25 20.858 9.546 -13.138 1.00 25.00 H new ATOM 0 HA CYS A 25 18.104 9.624 -13.395 1.00 25.00 H new ATOM 0 HB2 CYS A 25 20.237 7.808 -12.632 1.00 25.00 H new ATOM 0 HB3 CYS A 25 18.856 7.531 -11.590 1.00 25.00 H new ATOM 364 N GLY A 26 18.971 10.043 -10.235 1.00 25.00 N ATOM 365 CA GLY A 26 18.384 10.533 -9.022 1.00 25.00 C ATOM 366 C GLY A 26 17.766 9.536 -8.022 1.00 25.00 C ATOM 367 O GLY A 26 16.642 9.041 -8.207 1.00 25.00 O ATOM 0 H GLY A 26 19.985 9.937 -10.217 1.00 25.00 H new ATOM 0 HA2 GLY A 26 19.152 11.095 -8.491 1.00 25.00 H new ATOM 0 HA3 GLY A 26 17.605 11.243 -9.300 1.00 25.00 H new ATOM 371 N SER A 27 18.459 9.212 -6.944 1.00 25.00 N ATOM 372 CA SER A 27 17.970 8.289 -5.882 1.00 25.00 C ATOM 373 C SER A 27 16.614 8.485 -5.350 1.00 25.00 C ATOM 374 O SER A 27 16.061 7.584 -4.728 1.00 25.00 O ATOM 375 CB SER A 27 18.980 8.345 -4.713 1.00 25.00 C ATOM 376 OG SER A 27 20.317 8.285 -5.252 1.00 25.00 O ATOM 0 H SER A 27 19.393 9.577 -6.760 1.00 25.00 H new ATOM 0 HA SER A 27 17.898 7.321 -6.379 1.00 25.00 H new ATOM 0 HB2 SER A 27 18.844 9.263 -4.140 1.00 25.00 H new ATOM 0 HB3 SER A 27 18.811 7.514 -4.028 1.00 25.00 H new ATOM 0 HG SER A 27 20.967 8.322 -4.519 1.00 25.00 H new ATOM 382 N VAL A 28 15.965 9.653 -5.570 1.00 25.00 N ATOM 383 CA VAL A 28 14.600 9.916 -5.109 1.00 25.00 C ATOM 384 C VAL A 28 13.586 8.964 -5.763 1.00 25.00 C ATOM 385 O VAL A 28 12.515 8.836 -5.292 1.00 25.00 O ATOM 386 CB VAL A 28 14.117 11.373 -5.436 1.00 25.00 C ATOM 387 CG1 VAL A 28 13.122 11.994 -4.359 1.00 50.00 C ATOM 388 CG2 VAL A 28 15.315 12.345 -5.588 1.00 50.00 C ATOM 0 H VAL A 28 16.383 10.435 -6.074 1.00 25.00 H new ATOM 0 HA VAL A 28 14.640 9.769 -4.030 1.00 25.00 H new ATOM 0 HB VAL A 28 13.573 11.267 -6.375 1.00 25.00 H new ATOM 0 HG11 VAL A 28 12.839 13.002 -4.664 1.00 50.00 H new ATOM 0 HG12 VAL A 28 12.230 11.372 -4.287 1.00 50.00 H new ATOM 0 HG13 VAL A 28 13.616 12.034 -3.388 1.00 50.00 H new ATOM 0 HG21 VAL A 28 14.946 13.345 -5.814 1.00 50.00 H new ATOM 0 HG22 VAL A 28 15.884 12.370 -4.658 1.00 50.00 H new ATOM 0 HG23 VAL A 28 15.959 12.004 -6.398 1.00 50.00 H new ATOM 398 N MET A 29 13.966 8.340 -6.875 1.00 25.00 N ATOM 399 CA MET A 29 13.091 7.484 -7.681 1.00 25.00 C ATOM 400 C MET A 29 12.850 6.146 -7.023 1.00 25.00 C ATOM 401 O MET A 29 12.079 5.328 -7.521 1.00 25.00 O ATOM 402 CB MET A 29 13.553 7.324 -9.143 1.00 25.00 C ATOM 403 CG MET A 29 14.772 6.429 -9.221 1.00 25.00 C ATOM 404 SD MET A 29 15.237 6.478 -10.902 1.00 25.00 S ATOM 405 CE MET A 29 16.727 5.525 -11.045 1.00 25.00 C ATOM 0 H MET A 29 14.911 8.415 -7.252 1.00 25.00 H new ATOM 0 HA MET A 29 12.137 8.009 -7.729 1.00 25.00 H new ATOM 0 HB2 MET A 29 12.746 6.901 -9.741 1.00 25.00 H new ATOM 0 HB3 MET A 29 13.785 8.301 -9.566 1.00 25.00 H new ATOM 0 HG2 MET A 29 15.573 6.791 -8.576 1.00 25.00 H new ATOM 0 HG3 MET A 29 14.540 5.413 -8.902 1.00 25.00 H new ATOM 0 HE1 MET A 29 16.859 5.209 -12.080 1.00 25.00 H new ATOM 0 HE2 MET A 29 17.579 6.133 -10.740 1.00 25.00 H new ATOM 0 HE3 MET A 29 16.660 4.647 -10.403 1.00 25.00 H new ATOM 415 N TYR A 30 13.725 5.853 -6.066 1.00 25.00 N ATOM 416 CA TYR A 30 13.862 4.439 -5.611 1.00 25.00 C ATOM 417 C TYR A 30 12.693 4.030 -4.753 1.00 25.00 C ATOM 418 O TYR A 30 12.028 3.047 -5.054 1.00 25.00 O ATOM 419 CB TYR A 30 15.137 4.204 -4.847 1.00 25.00 C ATOM 420 CG TYR A 30 15.247 2.806 -4.112 1.00 25.00 C ATOM 421 CD1 TYR A 30 15.330 1.561 -4.771 1.00 50.00 C ATOM 422 CD2 TYR A 30 15.319 2.768 -2.639 1.00 50.00 C ATOM 423 CE1 TYR A 30 15.395 0.349 -4.037 1.00 25.00 C ATOM 424 CE2 TYR A 30 15.400 1.587 -1.927 1.00 25.00 C ATOM 425 CZ TYR A 30 15.436 0.399 -2.600 1.00 25.00 C ATOM 426 OH TYR A 30 15.669 -0.772 -1.904 1.00 25.00 O ATOM 0 H TYR A 30 14.332 6.526 -5.598 1.00 25.00 H new ATOM 0 HA TYR A 30 13.886 3.830 -6.515 1.00 25.00 H new ATOM 0 HB2 TYR A 30 15.975 4.298 -5.537 1.00 25.00 H new ATOM 0 HB3 TYR A 30 15.245 4.994 -4.104 1.00 25.00 H new ATOM 0 HD1 TYR A 30 15.344 1.530 -5.850 1.00 50.00 H new ATOM 0 HD2 TYR A 30 15.308 3.701 -2.095 1.00 50.00 H new ATOM 0 HE1 TYR A 30 15.413 -0.601 -4.551 1.00 25.00 H new ATOM 0 HE2 TYR A 30 15.435 1.603 -0.848 1.00 25.00 H new ATOM 0 HH TYR A 30 15.670 -0.586 -0.942 1.00 25.00 H new ATOM 436 N GLU A 31 12.339 4.796 -3.755 1.00 25.00 N ATOM 437 CA GLU A 31 11.082 4.515 -2.999 1.00 25.00 C ATOM 438 C GLU A 31 10.349 5.821 -2.558 1.00 25.00 C ATOM 439 O GLU A 31 10.063 5.982 -1.389 1.00 25.00 O ATOM 440 CB GLU A 31 11.310 3.554 -1.827 1.00 25.00 C ATOM 441 CG GLU A 31 12.403 3.988 -0.836 1.00 25.00 C ATOM 442 CD GLU A 31 12.559 3.169 0.415 1.00 25.00 C ATOM 443 OE1 GLU A 31 13.402 3.498 1.310 1.00 25.00 O ATOM 444 OE2 GLU A 31 11.980 2.046 0.462 1.00 25.00 O1- ATOM 0 H GLU A 31 12.867 5.606 -3.430 1.00 25.00 H new ATOM 0 HA GLU A 31 10.414 4.005 -3.693 1.00 25.00 H new ATOM 0 HB2 GLU A 31 10.372 3.439 -1.283 1.00 25.00 H new ATOM 0 HB3 GLU A 31 11.570 2.573 -2.226 1.00 25.00 H new ATOM 0 HG2 GLU A 31 13.357 3.986 -1.363 1.00 25.00 H new ATOM 0 HG3 GLU A 31 12.203 5.019 -0.543 1.00 25.00 H new ATOM 451 N PRO A 32 9.867 6.676 -3.480 1.00 25.00 N ATOM 452 CA PRO A 32 9.309 7.916 -2.965 1.00 25.00 C ATOM 453 C PRO A 32 8.038 7.740 -2.173 1.00 25.00 C ATOM 454 O PRO A 32 7.660 8.535 -1.324 1.00 25.00 O ATOM 455 CB PRO A 32 9.113 8.767 -4.150 1.00 25.00 C ATOM 456 CG PRO A 32 8.889 7.797 -5.187 1.00 25.00 C ATOM 457 CD PRO A 32 9.776 6.703 -4.941 1.00 25.00 C ATOM 0 HA PRO A 32 9.987 8.364 -2.239 1.00 25.00 H new ATOM 0 HB2 PRO A 32 8.264 9.440 -4.032 1.00 25.00 H new ATOM 0 HB3 PRO A 32 9.986 9.387 -4.354 1.00 25.00 H new ATOM 0 HG2 PRO A 32 7.852 7.460 -5.182 1.00 25.00 H new ATOM 0 HG3 PRO A 32 9.078 8.232 -6.168 1.00 25.00 H new ATOM 0 HD2 PRO A 32 9.383 5.767 -5.338 1.00 25.00 H new ATOM 0 HD3 PRO A 32 10.750 6.861 -5.403 1.00 25.00 H new ATOM 465 N GLN A 33 7.300 6.697 -2.452 1.00 25.00 N ATOM 466 CA GLN A 33 6.085 6.318 -1.653 1.00 25.00 C ATOM 467 C GLN A 33 6.266 6.016 -0.199 1.00 25.00 C ATOM 468 O GLN A 33 5.279 5.740 0.540 1.00 25.00 O ATOM 469 CB GLN A 33 5.284 5.177 -2.299 1.00 25.00 C ATOM 470 CG GLN A 33 5.992 3.792 -2.350 1.00 25.00 C ATOM 471 CD GLN A 33 5.271 2.826 -3.217 1.00 25.00 C ATOM 472 OE1 GLN A 33 5.555 2.787 -4.460 1.00 25.00 O ATOM 473 NE2 GLN A 33 4.398 2.037 -2.653 1.00 25.00 N ATOM 0 H GLN A 33 7.494 6.066 -3.230 1.00 25.00 H new ATOM 0 HA GLN A 33 5.532 7.257 -1.680 1.00 25.00 H new ATOM 0 HB2 GLN A 33 4.346 5.064 -1.755 1.00 25.00 H new ATOM 0 HB3 GLN A 33 5.028 5.470 -3.317 1.00 25.00 H new ATOM 0 HG2 GLN A 33 7.010 3.919 -2.719 1.00 25.00 H new ATOM 0 HG3 GLN A 33 6.067 3.387 -1.341 1.00 25.00 H new ATOM 0 HE21 GLN A 33 4.212 2.114 -1.653 1.00 25.00 H new ATOM 0 HE22 GLN A 33 3.902 1.343 -3.212 1.00 25.00 H new ATOM 482 N SER A 34 7.533 5.902 0.271 1.00 25.00 N ATOM 483 CA SER A 34 7.863 5.379 1.584 1.00 25.00 C ATOM 484 C SER A 34 7.568 6.351 2.705 1.00 25.00 C ATOM 485 O SER A 34 7.607 5.893 3.870 1.00 25.00 O ATOM 486 CB SER A 34 9.316 4.870 1.652 1.00 25.00 C ATOM 487 OG SER A 34 9.453 3.859 2.609 1.00 25.00 O ATOM 0 H SER A 34 8.351 6.179 -0.272 1.00 25.00 H new ATOM 0 HA SER A 34 7.202 4.525 1.736 1.00 25.00 H new ATOM 0 HB2 SER A 34 9.618 4.493 0.675 1.00 25.00 H new ATOM 0 HB3 SER A 34 9.983 5.697 1.895 1.00 25.00 H new ATOM 0 HG SER A 34 8.889 4.063 3.384 1.00 25.00 H new ATOM 493 N LEU A 35 7.165 7.571 2.442 1.00 25.00 N ATOM 494 CA LEU A 35 7.007 8.570 3.485 1.00 25.00 C ATOM 495 C LEU A 35 5.722 8.372 4.312 1.00 25.00 C ATOM 496 O LEU A 35 4.636 8.344 3.787 1.00 25.00 O ATOM 497 CB LEU A 35 7.022 9.983 2.912 1.00 25.00 C ATOM 498 CG LEU A 35 8.163 10.317 1.993 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.914 11.651 1.317 1.00 50.00 C ATOM 500 CD2 LEU A 35 9.520 10.348 2.699 1.00 50.00 C ATOM 0 H LEU A 35 6.937 7.903 1.505 1.00 25.00 H new ATOM 0 HA LEU A 35 7.861 8.438 4.150 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.089 10.143 2.371 1.00 25.00 H new ATOM 0 HB3 LEU A 35 7.034 10.689 3.743 1.00 25.00 H new ATOM 0 HG LEU A 35 8.206 9.518 1.253 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.747 11.884 0.653 1.00 50.00 H new ATOM 0 HD12 LEU A 35 6.992 11.599 0.738 1.00 50.00 H new ATOM 0 HD13 LEU A 35 7.824 12.431 2.073 1.00 50.00 H new ATOM 0 HD21 LEU A 35 10.300 10.595 1.978 1.00 50.00 H new ATOM 0 HD22 LEU A 35 9.503 11.101 3.487 1.00 50.00 H new ATOM 0 HD23 LEU A 35 9.726 9.370 3.135 1.00 50.00 H new ATOM 512 N GLU A 36 5.922 8.225 5.615 1.00 25.00 N ATOM 513 CA GLU A 36 4.821 8.037 6.585 1.00 25.00 C ATOM 514 C GLU A 36 4.950 8.867 7.885 1.00 25.00 C ATOM 515 O GLU A 36 6.074 9.343 8.202 1.00 25.00 O ATOM 516 CB GLU A 36 4.717 6.591 6.975 1.00 25.00 C ATOM 517 CG GLU A 36 4.334 5.534 5.880 1.00 25.00 C ATOM 518 CD GLU A 36 4.277 4.162 6.453 1.00 25.00 C ATOM 519 OE1 GLU A 36 5.156 3.315 6.154 1.00 25.00 O ATOM 520 OE2 GLU A 36 3.356 3.845 7.229 1.00 25.00 O1- ATOM 0 H GLU A 36 6.848 8.231 6.042 1.00 25.00 H new ATOM 0 HA GLU A 36 3.931 8.389 6.064 1.00 25.00 H new ATOM 0 HB2 GLU A 36 5.677 6.294 7.398 1.00 25.00 H new ATOM 0 HB3 GLU A 36 3.980 6.518 7.775 1.00 25.00 H new ATOM 0 HG2 GLU A 36 3.367 5.790 5.446 1.00 25.00 H new ATOM 0 HG3 GLU A 36 5.064 5.563 5.071 1.00 25.00 H new ATOM 527 N ALA A 37 3.825 8.956 8.637 1.00 25.00 N ATOM 528 CA ALA A 37 3.909 9.339 10.083 1.00 25.00 C ATOM 529 C ALA A 37 2.816 8.546 10.794 1.00 25.00 C ATOM 530 O ALA A 37 1.727 8.367 10.231 1.00 25.00 O ATOM 531 CB ALA A 37 3.715 10.837 10.284 1.00 25.00 C ATOM 0 H ALA A 37 2.882 8.778 8.292 1.00 25.00 H new ATOM 0 HA ALA A 37 4.896 9.111 10.486 1.00 25.00 H new ATOM 0 HB1 ALA A 37 3.783 11.073 11.346 1.00 25.00 H new ATOM 0 HB2 ALA A 37 4.488 11.380 9.741 1.00 25.00 H new ATOM 0 HB3 ALA A 37 2.734 11.130 9.909 1.00 25.00 H new ATOM 537 N LYS A 38 3.055 8.091 12.032 1.00 25.00 N ATOM 538 CA LYS A 38 2.045 7.466 12.921 1.00 25.00 C ATOM 539 C LYS A 38 1.432 8.648 13.647 1.00 25.00 C ATOM 540 O LYS A 38 2.043 9.706 13.660 1.00 25.00 O ATOM 541 CB LYS A 38 2.727 6.451 13.837 1.00 25.00 C ATOM 542 CG LYS A 38 1.770 5.618 14.718 1.00 25.00 C ATOM 543 CD LYS A 38 2.628 4.606 15.582 1.00 25.00 C ATOM 544 CE LYS A 38 1.818 3.618 16.440 1.00 25.00 C ATOM 545 NZ LYS A 38 2.743 2.868 17.265 1.00 25.00 N1+ ATOM 0 H LYS A 38 3.979 8.145 12.461 1.00 25.00 H new ATOM 0 HA LYS A 38 1.272 6.893 12.409 1.00 25.00 H new ATOM 0 HB2 LYS A 38 3.317 5.770 13.224 1.00 25.00 H new ATOM 0 HB3 LYS A 38 3.424 6.981 14.486 1.00 25.00 H new ATOM 0 HG2 LYS A 38 1.189 6.272 15.368 1.00 25.00 H new ATOM 0 HG3 LYS A 38 1.059 5.075 14.095 1.00 25.00 H new ATOM 0 HD2 LYS A 38 3.270 4.036 14.911 1.00 25.00 H new ATOM 0 HD3 LYS A 38 3.282 5.179 16.239 1.00 25.00 H new ATOM 0 HE2 LYS A 38 1.102 4.154 17.063 1.00 25.00 H new ATOM 0 HE3 LYS A 38 1.244 2.944 15.804 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 2.214 2.193 17.854 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 3.409 2.350 16.657 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 3.271 3.522 17.877 1.00 25.00 H new ATOM 559 N LYS A 39 0.223 8.527 14.198 1.00 25.00 N ATOM 560 CA LYS A 39 -0.237 9.581 15.051 1.00 25.00 C ATOM 561 C LYS A 39 0.480 9.420 16.382 1.00 25.00 C ATOM 562 O LYS A 39 1.187 8.385 16.685 1.00 25.00 O ATOM 563 CB LYS A 39 -1.726 9.546 15.201 1.00 25.00 C ATOM 564 CG LYS A 39 -2.496 9.821 13.938 1.00 25.00 C ATOM 565 CD LYS A 39 -3.951 10.111 14.296 1.00 25.00 C ATOM 566 CE LYS A 39 -4.827 10.434 13.122 1.00 25.00 C ATOM 567 NZ LYS A 39 -5.236 9.236 12.320 1.00 25.00 N1+ ATOM 0 H LYS A 39 -0.416 7.743 14.068 1.00 25.00 H new ATOM 0 HA LYS A 39 -0.009 10.557 14.623 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -2.016 8.566 15.580 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -2.018 10.278 15.954 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -2.062 10.670 13.410 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -2.437 8.964 13.267 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -4.364 9.246 14.814 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -3.980 10.946 14.996 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -5.723 10.943 13.479 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -4.302 11.133 12.471 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -5.838 9.538 11.528 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -4.389 8.761 11.949 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -5.765 8.577 12.926 1.00 25.00 H new ATOM 581 N GLY A 40 0.370 10.458 17.199 1.00 25.00 N ATOM 582 CA GLY A 40 1.177 10.481 18.409 1.00 25.00 C ATOM 583 C GLY A 40 0.656 9.659 19.583 1.00 25.00 C ATOM 584 O GLY A 40 1.130 9.982 20.684 1.00 25.00 O ATOM 0 H GLY A 40 -0.241 11.262 17.057 1.00 25.00 H new ATOM 0 HA2 GLY A 40 2.177 10.127 18.160 1.00 25.00 H new ATOM 0 HA3 GLY A 40 1.277 11.517 18.734 1.00 25.00 H new ATOM 588 N PHE A 41 -0.247 8.708 19.495 1.00 25.00 N ATOM 589 CA PHE A 41 -0.841 8.058 20.641 1.00 25.00 C ATOM 590 C PHE A 41 0.049 6.850 21.051 1.00 25.00 C ATOM 591 O PHE A 41 0.617 6.238 20.115 1.00 25.00 O ATOM 592 CB PHE A 41 -2.280 7.631 20.307 1.00 25.00 C ATOM 593 CG PHE A 41 -3.229 8.808 19.942 1.00 25.00 C ATOM 594 CD1 PHE A 41 -3.576 9.006 18.603 1.00 25.00 C ATOM 595 CD2 PHE A 41 -3.814 9.653 20.900 1.00 25.00 C ATOM 596 CE1 PHE A 41 -4.524 10.028 18.229 1.00 25.00 C ATOM 597 CE2 PHE A 41 -4.817 10.663 20.525 1.00 25.00 C ATOM 598 CZ PHE A 41 -5.150 10.843 19.159 1.00 25.00 C ATOM 0 H PHE A 41 -0.597 8.357 18.603 1.00 25.00 H new ATOM 0 HA PHE A 41 -0.895 8.743 21.487 1.00 25.00 H new ATOM 0 HB2 PHE A 41 -2.254 6.929 19.474 1.00 25.00 H new ATOM 0 HB3 PHE A 41 -2.695 7.096 21.161 1.00 25.00 H new ATOM 0 HD1 PHE A 41 -3.130 8.387 17.839 1.00 25.00 H new ATOM 0 HD2 PHE A 41 -3.521 9.559 21.935 1.00 25.00 H new ATOM 0 HE1 PHE A 41 -4.755 10.163 17.183 1.00 25.00 H new ATOM 0 HE2 PHE A 41 -5.296 11.263 21.285 1.00 25.00 H new ATOM 0 HZ PHE A 41 -5.867 11.590 18.853 1.00 25.00 H new ATOM 608 N PRO A 42 0.060 6.444 22.323 1.00 25.00 N ATOM 609 CA PRO A 42 -0.557 6.926 23.568 1.00 25.00 C ATOM 610 C PRO A 42 0.195 8.128 24.127 1.00 25.00 C ATOM 611 O PRO A 42 1.200 8.484 23.521 1.00 25.00 O ATOM 612 CB PRO A 42 -0.468 5.750 24.476 1.00 25.00 C ATOM 613 CG PRO A 42 0.782 5.042 24.083 1.00 25.00 C ATOM 614 CD PRO A 42 0.793 5.199 22.630 1.00 25.00 C ATOM 0 HA PRO A 42 -1.581 7.273 23.431 1.00 25.00 H new ATOM 0 HB2 PRO A 42 -0.432 6.061 25.520 1.00 25.00 H new ATOM 0 HB3 PRO A 42 -1.338 5.102 24.367 1.00 25.00 H new ATOM 0 HG2 PRO A 42 1.663 5.487 24.546 1.00 25.00 H new ATOM 0 HG3 PRO A 42 0.763 3.993 24.377 1.00 25.00 H new ATOM 0 HD2 PRO A 42 1.815 5.252 22.256 1.00 25.00 H new ATOM 0 HD3 PRO A 42 0.320 4.344 22.146 1.00 25.00 H new ATOM 622 N HIS A 43 -0.220 8.695 25.259 1.00 25.00 N ATOM 623 CA HIS A 43 0.432 9.954 25.640 1.00 25.00 C ATOM 624 C HIS A 43 1.871 9.791 26.172 1.00 25.00 C ATOM 625 O HIS A 43 2.658 10.753 26.229 1.00 25.00 O ATOM 626 CB HIS A 43 -0.517 10.764 26.552 1.00 25.00 C ATOM 627 CG HIS A 43 -1.049 10.004 27.722 1.00 25.00 C ATOM 628 ND1 HIS A 43 -0.396 9.821 28.945 1.00 25.00 N ATOM 629 CD2 HIS A 43 -2.226 9.309 27.838 1.00 25.00 C ATOM 630 CE1 HIS A 43 -1.094 8.990 29.676 1.00 25.00 C ATOM 631 NE2 HIS A 43 -2.200 8.673 29.021 1.00 25.00 N ATOM 0 H HIS A 43 -0.944 8.343 25.886 1.00 25.00 H new ATOM 0 HA HIS A 43 0.600 10.541 24.737 1.00 25.00 H new ATOM 0 HB2 HIS A 43 0.013 11.644 26.917 1.00 25.00 H new ATOM 0 HB3 HIS A 43 -1.356 11.122 25.955 1.00 25.00 H new ATOM 0 HD2 HIS A 43 -3.026 9.279 27.113 1.00 25.00 H new ATOM 0 HE1 HIS A 43 -0.814 8.623 30.652 1.00 25.00 H new ATOM 0 HE2 HIS A 43 -2.924 8.041 29.363 1.00 25.00 H new ATOM 639 N SER A 44 2.155 8.594 26.641 1.00 25.00 N ATOM 640 CA SER A 44 3.489 8.286 27.100 1.00 25.00 C ATOM 641 C SER A 44 4.644 8.437 26.122 1.00 25.00 C ATOM 642 O SER A 44 5.617 9.079 26.401 1.00 25.00 O ATOM 643 CB SER A 44 3.542 6.843 27.665 1.00 25.00 C ATOM 644 OG SER A 44 4.529 6.725 28.679 1.00 25.00 O ATOM 0 H SER A 44 1.487 7.827 26.713 1.00 25.00 H new ATOM 0 HA SER A 44 3.652 9.061 27.848 1.00 25.00 H new ATOM 0 HB2 SER A 44 2.567 6.572 28.070 1.00 25.00 H new ATOM 0 HB3 SER A 44 3.759 6.142 26.859 1.00 25.00 H new ATOM 0 HG SER A 44 4.540 5.806 29.019 1.00 25.00 H new ATOM 650 N GLY A 45 4.543 7.915 24.888 1.00 25.00 N ATOM 651 CA GLY A 45 5.683 8.057 23.929 1.00 25.00 C ATOM 652 C GLY A 45 5.684 9.386 23.262 1.00 25.00 C ATOM 653 O GLY A 45 4.811 10.259 23.541 1.00 25.00 O ATOM 0 H GLY A 45 3.731 7.412 24.530 1.00 25.00 H new ATOM 0 HA2 GLY A 45 6.624 7.917 24.461 1.00 25.00 H new ATOM 0 HA3 GLY A 45 5.623 7.272 23.175 1.00 25.00 H new ATOM 657 N PRO A 46 6.712 9.622 22.471 1.00 25.00 N ATOM 658 CA PRO A 46 6.838 10.954 21.854 1.00 25.00 C ATOM 659 C PRO A 46 5.836 11.206 20.788 1.00 25.00 C ATOM 660 O PRO A 46 5.150 10.300 20.316 1.00 25.00 O ATOM 661 CB PRO A 46 8.213 10.902 21.203 1.00 25.00 C ATOM 662 CG PRO A 46 8.356 9.469 20.901 1.00 25.00 C ATOM 663 CD PRO A 46 7.772 8.742 22.016 1.00 25.00 C ATOM 0 HA PRO A 46 6.692 11.739 22.596 1.00 25.00 H new ATOM 0 HB2 PRO A 46 8.262 11.515 20.303 1.00 25.00 H new ATOM 0 HB3 PRO A 46 8.995 11.257 21.874 1.00 25.00 H new ATOM 0 HG2 PRO A 46 7.849 9.218 19.969 1.00 25.00 H new ATOM 0 HG3 PRO A 46 9.406 9.204 20.775 1.00 25.00 H new ATOM 0 HD2 PRO A 46 7.384 7.772 21.704 1.00 25.00 H new ATOM 0 HD3 PRO A 46 8.504 8.555 22.802 1.00 25.00 H new ATOM 671 N ALA A 47 5.702 12.480 20.417 1.00 25.00 N ATOM 672 CA ALA A 47 4.888 12.767 19.268 1.00 25.00 C ATOM 673 C ALA A 47 5.440 12.192 18.022 1.00 25.00 C ATOM 674 O ALA A 47 6.631 12.049 17.842 1.00 25.00 O ATOM 675 CB ALA A 47 4.746 14.316 19.133 1.00 25.00 C ATOM 0 H ALA A 47 6.129 13.284 20.878 1.00 25.00 H new ATOM 0 HA ALA A 47 3.913 12.303 19.417 1.00 25.00 H new ATOM 0 HB1 ALA A 47 4.130 14.551 18.265 1.00 25.00 H new ATOM 0 HB2 ALA A 47 4.276 14.718 20.030 1.00 25.00 H new ATOM 0 HB3 ALA A 47 5.733 14.762 19.009 1.00 25.00 H new ATOM 681 N ASP A 48 4.523 11.934 17.121 1.00 25.00 N ATOM 682 CA ASP A 48 4.850 11.720 15.716 1.00 25.00 C ATOM 683 C ASP A 48 3.640 12.427 15.114 1.00 25.00 C ATOM 684 O ASP A 48 2.816 12.971 15.878 1.00 25.00 O ATOM 685 CB ASP A 48 5.021 10.213 15.364 1.00 25.00 C ATOM 686 CG ASP A 48 5.498 10.024 13.931 1.00 25.00 C ATOM 687 OD1 ASP A 48 5.809 11.046 13.215 1.00 25.00 O ATOM 688 OD2 ASP A 48 5.519 8.866 13.450 1.00 25.00 O1- ATOM 0 H ASP A 48 3.528 11.865 17.332 1.00 25.00 H new ATOM 0 HA ASP A 48 5.807 12.097 15.355 1.00 25.00 H new ATOM 0 HB2 ASP A 48 5.736 9.757 16.049 1.00 25.00 H new ATOM 0 HB3 ASP A 48 4.072 9.696 15.503 1.00 25.00 H new ATOM 693 N GLY A 49 3.409 12.463 13.830 1.00 25.00 N ATOM 694 CA GLY A 49 2.321 13.247 13.282 1.00 25.00 C ATOM 695 C GLY A 49 2.645 14.712 12.993 1.00 25.00 C ATOM 696 O GLY A 49 1.869 15.472 12.482 1.00 25.00 O ATOM 0 H GLY A 49 3.959 11.958 13.135 1.00 25.00 H new ATOM 0 HA2 GLY A 49 1.988 12.777 12.356 1.00 25.00 H new ATOM 0 HA3 GLY A 49 1.483 13.209 13.978 1.00 25.00 H new ATOM 700 N GLN A 50 3.864 15.060 13.314 1.00 25.00 N ATOM 701 CA GLN A 50 4.346 16.451 13.347 1.00 25.00 C ATOM 702 C GLN A 50 4.621 16.980 11.978 1.00 25.00 C ATOM 703 O GLN A 50 5.049 18.151 11.867 1.00 25.00 O ATOM 704 CB GLN A 50 5.579 16.516 14.174 1.00 25.00 C ATOM 705 CG GLN A 50 5.340 16.245 15.632 1.00 25.00 C ATOM 706 CD GLN A 50 6.632 16.337 16.455 1.00 25.00 C ATOM 707 OE1 GLN A 50 7.570 15.579 16.190 1.00 25.00 O ATOM 708 NE2 GLN A 50 6.684 17.329 17.342 1.00 25.00 N ATOM 0 H GLN A 50 4.581 14.381 13.569 1.00 25.00 H new ATOM 0 HA GLN A 50 3.564 17.073 13.783 1.00 25.00 H new ATOM 0 HB2 GLN A 50 6.301 15.794 13.792 1.00 25.00 H new ATOM 0 HB3 GLN A 50 6.028 17.503 14.065 1.00 25.00 H new ATOM 0 HG2 GLN A 50 4.613 16.959 16.019 1.00 25.00 H new ATOM 0 HG3 GLN A 50 4.906 15.252 15.749 1.00 25.00 H new ATOM 0 HE21 GLN A 50 5.863 17.912 17.504 1.00 25.00 H new ATOM 0 HE22 GLN A 50 7.545 17.506 17.860 1.00 25.00 H new ATOM 717 N ILE A 51 4.384 16.149 10.957 1.00 25.00 N ATOM 718 CA ILE A 51 4.476 16.641 9.538 1.00 25.00 C ATOM 719 C ILE A 51 3.243 17.526 9.334 1.00 25.00 C ATOM 720 O ILE A 51 3.280 18.561 8.607 1.00 25.00 O ATOM 721 CB ILE A 51 4.407 15.396 8.586 1.00 25.00 C ATOM 722 CG1 ILE A 51 5.569 14.432 8.919 1.00 25.00 C ATOM 723 CG2 ILE A 51 4.448 15.834 7.130 1.00 25.00 C ATOM 724 CD1 ILE A 51 5.741 13.154 7.980 1.00 25.00 C ATOM 0 H ILE A 51 4.135 15.165 11.057 1.00 25.00 H new ATOM 0 HA ILE A 51 5.396 17.189 9.333 1.00 25.00 H new ATOM 0 HB ILE A 51 3.464 14.871 8.741 1.00 25.00 H new ATOM 0 HG12 ILE A 51 6.499 15.000 8.892 1.00 25.00 H new ATOM 0 HG13 ILE A 51 5.438 14.084 9.944 1.00 25.00 H new ATOM 0 HG21 ILE A 51 4.399 14.957 6.485 1.00 25.00 H new ATOM 0 HG22 ILE A 51 3.599 16.485 6.922 1.00 25.00 H new ATOM 0 HG23 ILE A 51 5.375 16.374 6.939 1.00 25.00 H new ATOM 0 HD11 ILE A 51 6.590 12.563 8.322 1.00 25.00 H new ATOM 0 HD12 ILE A 51 4.836 12.547 8.022 1.00 25.00 H new ATOM 0 HD13 ILE A 51 5.914 13.477 6.954 1.00 25.00 H new ATOM 736 N ALA A 52 2.174 17.127 9.959 1.00 25.00 N ATOM 737 CA ALA A 52 0.890 17.839 9.823 1.00 25.00 C ATOM 738 C ALA A 52 0.869 19.281 10.360 1.00 25.00 C ATOM 739 O ALA A 52 0.357 20.223 9.653 1.00 25.00 O ATOM 740 CB ALA A 52 -0.209 17.052 10.420 1.00 25.00 C ATOM 0 H ALA A 52 2.143 16.314 10.574 1.00 25.00 H new ATOM 0 HA ALA A 52 0.746 17.939 8.747 1.00 25.00 H new ATOM 0 HB1 ALA A 52 -1.147 17.595 10.309 1.00 25.00 H new ATOM 0 HB2 ALA A 52 -0.284 16.090 9.913 1.00 25.00 H new ATOM 0 HB3 ALA A 52 -0.007 16.890 11.479 1.00 25.00 H new ATOM 746 N SER A 53 1.500 19.491 11.489 1.00 25.00 N ATOM 747 CA SER A 53 1.552 20.799 12.119 1.00 25.00 C ATOM 748 C SER A 53 2.776 21.536 11.669 1.00 25.00 C ATOM 749 O SER A 53 2.914 22.744 11.920 1.00 25.00 O ATOM 750 CB SER A 53 1.692 20.595 13.618 1.00 25.00 C ATOM 751 OG SER A 53 2.831 19.797 13.869 1.00 25.00 O ATOM 0 H SER A 53 1.995 18.762 12.003 1.00 25.00 H new ATOM 0 HA SER A 53 0.653 21.358 11.859 1.00 25.00 H new ATOM 0 HB2 SER A 53 1.788 21.557 14.122 1.00 25.00 H new ATOM 0 HB3 SER A 53 0.799 20.114 14.017 1.00 25.00 H new ATOM 0 HG SER A 53 2.930 19.662 14.835 1.00 25.00 H new ATOM 757 N ALA A 54 3.669 20.821 10.959 1.00 25.00 N ATOM 758 CA ALA A 54 5.039 21.237 10.466 1.00 25.00 C ATOM 759 C ALA A 54 5.996 21.566 11.646 1.00 25.00 C ATOM 760 O ALA A 54 6.984 22.245 11.489 1.00 25.00 O ATOM 761 CB ALA A 54 4.969 22.399 9.456 1.00 25.00 C ATOM 0 H ALA A 54 3.457 19.862 10.683 1.00 25.00 H new ATOM 0 HA ALA A 54 5.454 20.381 9.934 1.00 25.00 H new ATOM 0 HB1 ALA A 54 5.976 22.661 9.132 1.00 25.00 H new ATOM 0 HB2 ALA A 54 4.378 22.095 8.592 1.00 25.00 H new ATOM 0 HB3 ALA A 54 4.503 23.264 9.928 1.00 25.00 H new ATOM 767 N GLY A 55 5.603 21.087 12.810 1.00 25.00 N ATOM 768 CA GLY A 55 6.426 21.202 14.010 1.00 25.00 C ATOM 769 C GLY A 55 7.600 20.236 13.954 1.00 25.00 C ATOM 770 O GLY A 55 8.595 20.458 14.631 1.00 25.00 O ATOM 0 H GLY A 55 4.713 20.610 12.956 1.00 25.00 H new ATOM 0 HA2 GLY A 55 6.794 22.223 14.108 1.00 25.00 H new ATOM 0 HA3 GLY A 55 5.821 20.995 14.893 1.00 25.00 H new ATOM 774 N GLY A 56 7.551 19.291 13.039 1.00 25.00 N ATOM 775 CA GLY A 56 8.646 18.355 12.938 1.00 25.00 C ATOM 776 C GLY A 56 9.408 18.654 11.615 1.00 25.00 C ATOM 777 O GLY A 56 10.268 17.929 11.144 1.00 25.00 O ATOM 0 H GLY A 56 6.790 19.153 12.374 1.00 25.00 H new ATOM 0 HA2 GLY A 56 9.314 18.454 13.794 1.00 25.00 H new ATOM 0 HA3 GLY A 56 8.274 17.330 12.941 1.00 25.00 H new ATOM 781 N LEU A 57 9.016 19.786 11.003 1.00 25.00 N ATOM 782 CA LEU A 57 9.605 20.241 9.714 1.00 25.00 C ATOM 783 C LEU A 57 10.202 21.667 9.792 1.00 25.00 C ATOM 784 O LEU A 57 10.403 22.253 8.766 1.00 25.00 O ATOM 785 CB LEU A 57 8.553 20.209 8.658 1.00 25.00 C ATOM 786 CG LEU A 57 7.595 18.990 8.343 1.00 25.00 C ATOM 787 CD1 LEU A 57 6.543 19.393 7.364 1.00 50.00 C ATOM 788 CD2 LEU A 57 8.378 17.840 7.842 1.00 50.00 C ATOM 0 H LEU A 57 8.296 20.407 11.373 1.00 25.00 H new ATOM 0 HA LEU A 57 10.423 19.562 9.476 1.00 25.00 H new ATOM 0 HB2 LEU A 57 7.897 21.053 8.869 1.00 25.00 H new ATOM 0 HB3 LEU A 57 9.067 20.430 7.722 1.00 25.00 H new ATOM 0 HG LEU A 57 7.097 18.686 9.264 1.00 25.00 H new ATOM 0 HD11 LEU A 57 5.893 18.543 7.158 1.00 50.00 H new ATOM 0 HD12 LEU A 57 5.953 20.209 7.780 1.00 50.00 H new ATOM 0 HD13 LEU A 57 7.015 19.721 6.438 1.00 50.00 H new ATOM 0 HD21 LEU A 57 7.707 17.008 7.629 1.00 50.00 H new ATOM 0 HD22 LEU A 57 8.902 18.126 6.930 1.00 50.00 H new ATOM 0 HD23 LEU A 57 9.103 17.537 8.597 1.00 50.00 H new ATOM 800 N PHE A 58 10.690 22.001 10.971 1.00 25.00 N ATOM 801 CA PHE A 58 11.714 23.081 11.046 1.00 25.00 C ATOM 802 C PHE A 58 12.919 22.396 10.395 1.00 25.00 C ATOM 803 O PHE A 58 13.751 23.065 9.794 1.00 25.00 O ATOM 804 CB PHE A 58 12.000 23.540 12.498 1.00 25.00 C ATOM 805 CG PHE A 58 10.822 24.252 13.168 1.00 25.00 C ATOM 806 CD1 PHE A 58 10.239 23.718 14.310 1.00 50.00 C ATOM 807 CD2 PHE A 58 10.191 25.398 12.593 1.00 50.00 C ATOM 808 CE1 PHE A 58 9.167 24.440 14.960 1.00 25.00 C ATOM 809 CE2 PHE A 58 9.119 26.026 13.197 1.00 25.00 C ATOM 810 CZ PHE A 58 8.635 25.532 14.442 1.00 25.00 C ATOM 0 H PHE A 58 10.426 21.579 11.861 1.00 25.00 H new ATOM 0 HA PHE A 58 11.413 24.008 10.557 1.00 25.00 H new ATOM 0 HB2 PHE A 58 12.274 22.671 13.096 1.00 25.00 H new ATOM 0 HB3 PHE A 58 12.861 24.208 12.494 1.00 25.00 H new ATOM 0 HD1 PHE A 58 10.582 22.775 14.708 1.00 50.00 H new ATOM 0 HD2 PHE A 58 10.564 25.785 11.656 1.00 50.00 H new ATOM 0 HE1 PHE A 58 8.788 24.073 15.902 1.00 25.00 H new ATOM 0 HE2 PHE A 58 8.653 26.882 12.731 1.00 25.00 H new ATOM 0 HZ PHE A 58 7.839 26.047 14.959 1.00 25.00 H new ATOM 820 N GLY A 59 12.940 21.093 10.462 1.00 25.00 N ATOM 821 CA GLY A 59 13.925 20.273 9.844 1.00 25.00 C ATOM 822 C GLY A 59 13.691 20.207 8.311 1.00 25.00 C ATOM 823 O GLY A 59 14.606 19.763 7.606 1.00 25.00 O ATOM 0 H GLY A 59 12.237 20.559 10.973 1.00 25.00 H new ATOM 0 HA2 GLY A 59 14.919 20.670 10.050 1.00 25.00 H new ATOM 0 HA3 GLY A 59 13.889 19.269 10.267 1.00 25.00 H new ATOM 827 N GLY A 60 12.508 20.617 7.906 1.00 25.00 N ATOM 828 CA GLY A 60 12.090 20.425 6.525 1.00 25.00 C ATOM 829 C GLY A 60 12.893 21.225 5.554 1.00 25.00 C ATOM 830 O GLY A 60 13.131 20.846 4.414 1.00 25.00 O ATOM 0 H GLY A 60 11.822 21.081 8.502 1.00 25.00 H new ATOM 0 HA2 GLY A 60 12.171 19.368 6.271 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.039 20.696 6.429 1.00 25.00 H new ATOM 834 N ILE A 61 13.391 22.369 5.982 1.00 25.00 N ATOM 835 CA ILE A 61 14.285 23.209 5.208 1.00 25.00 C ATOM 836 C ILE A 61 15.631 22.486 4.882 1.00 25.00 C ATOM 837 O ILE A 61 16.118 22.625 3.777 1.00 25.00 O ATOM 838 CB ILE A 61 14.522 24.588 5.864 1.00 25.00 C ATOM 839 CG1 ILE A 61 13.196 25.345 6.102 1.00 25.00 C ATOM 840 CG2 ILE A 61 15.557 25.504 5.156 1.00 25.00 C ATOM 841 CD1 ILE A 61 12.298 25.829 4.893 1.00 25.00 C ATOM 0 H ILE A 61 13.179 22.751 6.904 1.00 25.00 H new ATOM 0 HA ILE A 61 13.781 23.398 4.260 1.00 25.00 H new ATOM 0 HB ILE A 61 14.977 24.341 6.823 1.00 25.00 H new ATOM 0 HG12 ILE A 61 12.572 24.705 6.725 1.00 25.00 H new ATOM 0 HG13 ILE A 61 13.436 26.229 6.693 1.00 25.00 H new ATOM 0 HG21 ILE A 61 15.644 26.444 5.701 1.00 25.00 H new ATOM 0 HG22 ILE A 61 16.527 25.007 5.133 1.00 25.00 H new ATOM 0 HG23 ILE A 61 15.228 25.705 4.136 1.00 25.00 H new ATOM 0 HD11 ILE A 61 11.414 26.338 5.277 1.00 25.00 H new ATOM 0 HD12 ILE A 61 12.869 26.515 4.268 1.00 25.00 H new ATOM 0 HD13 ILE A 61 11.991 24.967 4.300 1.00 25.00 H new ATOM 853 N LEU A 62 16.193 21.779 5.844 1.00 25.00 N ATOM 854 CA LEU A 62 17.471 21.028 5.702 1.00 25.00 C ATOM 855 C LEU A 62 17.170 19.722 4.924 1.00 25.00 C ATOM 856 O LEU A 62 18.054 19.210 4.234 1.00 25.00 O ATOM 857 CB LEU A 62 18.037 20.710 7.120 1.00 25.00 C ATOM 858 CG LEU A 62 18.650 21.780 8.061 1.00 25.00 C ATOM 859 CD1 LEU A 62 17.769 22.829 8.634 1.00 75.00 C ATOM 860 CD2 LEU A 62 19.257 20.950 9.262 1.00 75.00 C ATOM 0 H LEU A 62 15.782 21.695 6.774 1.00 25.00 H new ATOM 0 HA LEU A 62 18.214 21.613 5.160 1.00 25.00 H new ATOM 0 HB2 LEU A 62 17.224 20.243 7.676 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.805 19.950 6.979 1.00 25.00 H new ATOM 0 HG LEU A 62 19.339 22.359 7.447 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.358 23.493 9.267 1.00 75.00 H new ATOM 0 HD12 LEU A 62 17.316 23.405 7.827 1.00 75.00 H new ATOM 0 HD13 LEU A 62 16.985 22.361 9.229 1.00 75.00 H new ATOM 0 HD21 LEU A 62 19.714 21.631 9.980 1.00 75.00 H new ATOM 0 HD22 LEU A 62 18.464 20.385 9.751 1.00 75.00 H new ATOM 0 HD23 LEU A 62 20.012 20.261 8.883 1.00 75.00 H new ATOM 872 N ASP A 63 15.934 19.265 4.965 1.00 25.00 N ATOM 873 CA ASP A 63 15.562 18.050 4.238 1.00 25.00 C ATOM 874 C ASP A 63 15.494 18.247 2.754 1.00 25.00 C ATOM 875 O ASP A 63 15.764 17.382 1.974 1.00 25.00 O ATOM 876 CB ASP A 63 14.225 17.493 4.718 1.00 25.00 C ATOM 877 CG ASP A 63 13.953 16.181 4.162 1.00 25.00 C ATOM 878 OD1 ASP A 63 12.931 16.022 3.479 1.00 50.00 O ATOM 879 OD2 ASP A 63 14.700 15.247 4.415 1.00 50.00 O1- ATOM 0 H ASP A 63 15.174 19.704 5.484 1.00 25.00 H new ATOM 0 HA ASP A 63 16.359 17.338 4.452 1.00 25.00 H new ATOM 0 HB2 ASP A 63 14.227 17.432 5.806 1.00 25.00 H new ATOM 0 HB3 ASP A 63 13.425 18.178 4.438 1.00 25.00 H new ATOM 884 N GLN A 64 15.127 19.479 2.381 1.00 25.00 N ATOM 885 CA GLN A 64 14.980 19.813 0.958 1.00 25.00 C ATOM 886 C GLN A 64 16.310 20.335 0.370 1.00 25.00 C ATOM 887 O GLN A 64 16.358 21.146 -0.460 1.00 25.00 O ATOM 888 CB GLN A 64 13.832 20.816 0.773 1.00 25.00 C ATOM 889 CG GLN A 64 13.982 22.153 1.409 1.00 25.00 C ATOM 890 CD GLN A 64 12.752 22.934 1.201 1.00 25.00 C ATOM 891 OE1 GLN A 64 12.612 23.521 0.155 1.00 25.00 O ATOM 892 NE2 GLN A 64 11.793 22.884 2.053 1.00 25.00 N ATOM 0 H GLN A 64 14.930 20.245 3.026 1.00 25.00 H new ATOM 0 HA GLN A 64 14.727 18.909 0.404 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.685 20.966 -0.297 1.00 25.00 H new ATOM 0 HB3 GLN A 64 12.920 20.360 1.159 1.00 25.00 H new ATOM 0 HG2 GLN A 64 14.179 22.041 2.475 1.00 25.00 H new ATOM 0 HG3 GLN A 64 14.836 22.678 0.981 1.00 25.00 H new ATOM 0 HE21 GLN A 64 11.919 22.386 2.934 1.00 25.00 H new ATOM 0 HE22 GLN A 64 10.905 23.342 1.849 1.00 25.00 H new ATOM 901 N GLN A 65 17.392 19.770 0.850 1.00 25.00 N ATOM 902 CA GLN A 65 18.757 20.084 0.358 1.00 25.00 C ATOM 903 C GLN A 65 19.518 18.837 0.834 1.00 25.00 C ATOM 904 O GLN A 65 20.565 18.913 1.486 1.00 25.00 O ATOM 905 CB GLN A 65 19.278 21.440 0.872 1.00 25.00 C ATOM 906 CG GLN A 65 19.105 21.785 2.341 1.00 25.00 C ATOM 907 CD GLN A 65 19.544 23.228 2.691 1.00 25.00 C ATOM 908 OE1 GLN A 65 20.702 23.639 2.632 1.00 25.00 O ATOM 909 NE2 GLN A 65 18.607 23.961 3.218 1.00 25.00 N ATOM 0 H GLN A 65 17.375 19.074 1.596 1.00 25.00 H new ATOM 0 HA GLN A 65 18.852 20.242 -0.716 1.00 25.00 H new ATOM 0 HB2 GLN A 65 20.343 21.491 0.645 1.00 25.00 H new ATOM 0 HB3 GLN A 65 18.790 22.222 0.290 1.00 25.00 H new ATOM 0 HG2 GLN A 65 18.058 21.655 2.616 1.00 25.00 H new ATOM 0 HG3 GLN A 65 19.682 21.082 2.942 1.00 25.00 H new ATOM 0 HE21 GLN A 65 17.650 23.611 3.262 1.00 25.00 H new ATOM 0 HE22 GLN A 65 18.830 24.886 3.587 1.00 25.00 H new ATOM 918 N SER A 66 18.977 17.669 0.520 1.00 25.00 N ATOM 919 CA SER A 66 19.446 16.340 0.955 1.00 25.00 C ATOM 920 C SER A 66 19.254 15.534 -0.258 1.00 25.00 C ATOM 921 O SER A 66 18.660 16.112 -1.164 1.00 25.00 O ATOM 922 CB SER A 66 18.581 15.872 2.131 1.00 25.00 C ATOM 923 OG SER A 66 18.837 14.536 2.463 1.00 25.00 O ATOM 0 H SER A 66 18.153 17.608 -0.078 1.00 25.00 H new ATOM 0 HA SER A 66 20.474 16.292 1.314 1.00 25.00 H new ATOM 0 HB2 SER A 66 18.772 16.505 2.998 1.00 25.00 H new ATOM 0 HB3 SER A 66 17.527 15.988 1.877 1.00 25.00 H new ATOM 0 HG SER A 66 18.053 13.989 2.246 1.00 25.00 H new ATOM 929 N GLU A 67 19.556 14.241 -0.340 1.00 25.00 N ATOM 930 CA GLU A 67 19.483 13.477 -1.575 1.00 25.00 C ATOM 931 C GLU A 67 18.045 13.215 -1.982 1.00 25.00 C ATOM 932 O GLU A 67 17.674 13.224 -3.177 1.00 25.00 O ATOM 933 CB GLU A 67 20.333 12.116 -1.550 1.00 25.00 C ATOM 934 CG GLU A 67 20.521 11.345 -2.853 1.00 25.00 C ATOM 935 CD GLU A 67 21.363 12.145 -3.849 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.574 11.883 -4.024 1.00 25.00 O ATOM 937 OE2 GLU A 67 20.818 13.031 -4.522 1.00 25.00 O1- ATOM 0 H GLU A 67 19.862 13.690 0.462 1.00 25.00 H new ATOM 0 HA GLU A 67 19.950 14.106 -2.333 1.00 25.00 H new ATOM 0 HB2 GLU A 67 21.323 12.352 -1.160 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.860 11.444 -0.834 1.00 25.00 H new ATOM 0 HG2 GLU A 67 21.005 10.390 -2.648 1.00 25.00 H new ATOM 0 HG3 GLU A 67 19.548 11.122 -3.291 1.00 25.00 H new ATOM 944 N ASN A 68 17.206 13.094 -1.004 1.00 25.00 N ATOM 945 CA ASN A 68 15.785 12.923 -1.166 1.00 25.00 C ATOM 946 C ASN A 68 15.012 14.221 -1.407 1.00 25.00 C ATOM 947 O ASN A 68 13.809 14.215 -1.131 1.00 25.00 O ATOM 948 CB ASN A 68 15.217 12.160 -0.003 1.00 25.00 C ATOM 949 CG ASN A 68 15.495 12.812 1.300 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.579 12.516 1.858 1.00 25.00 O ATOM 951 ND2 ASN A 68 14.625 13.598 1.823 1.00 25.00 N ATOM 0 H ASN A 68 17.498 13.111 -0.027 1.00 25.00 H new ATOM 0 HA ASN A 68 15.655 12.346 -2.082 1.00 25.00 H new ATOM 0 HB2 ASN A 68 14.139 12.059 -0.131 1.00 25.00 H new ATOM 0 HB3 ASN A 68 15.633 11.153 0.003 1.00 25.00 H new ATOM 0 HD21 ASN A 68 14.799 14.016 2.737 1.00 25.00 H new ATOM 0 HD22 ASN A 68 13.759 13.805 1.325 1.00 25.00 H new ATOM 958 N ARG A 69 15.656 15.288 -1.875 1.00 25.00 N ATOM 959 CA ARG A 69 15.076 16.509 -2.453 1.00 25.00 C ATOM 960 C ARG A 69 14.294 16.063 -3.676 1.00 25.00 C ATOM 961 O ARG A 69 14.789 15.928 -4.789 1.00 25.00 O ATOM 962 CB ARG A 69 16.101 17.587 -2.674 1.00 25.00 C ATOM 963 CG ARG A 69 15.544 18.788 -3.248 1.00 25.00 C ATOM 964 CD ARG A 69 16.581 19.868 -3.437 1.00 25.00 C ATOM 965 NE ARG A 69 17.492 19.619 -4.535 1.00 25.00 N ATOM 966 CZ ARG A 69 18.441 20.440 -4.951 1.00 25.00 C ATOM 967 NH1 ARG A 69 18.648 21.645 -4.439 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 19.202 20.062 -5.939 1.00 25.00 N ATOM 0 H ARG A 69 16.675 15.330 -1.861 1.00 25.00 H new ATOM 0 HA ARG A 69 14.389 17.007 -1.769 1.00 25.00 H new ATOM 0 HB2 ARG A 69 16.574 17.831 -1.723 1.00 25.00 H new ATOM 0 HB3 ARG A 69 16.884 17.207 -3.330 1.00 25.00 H new ATOM 0 HG2 ARG A 69 15.090 18.551 -4.210 1.00 25.00 H new ATOM 0 HG3 ARG A 69 14.748 19.161 -2.603 1.00 25.00 H new ATOM 0 HD2 ARG A 69 16.075 20.819 -3.606 1.00 25.00 H new ATOM 0 HD3 ARG A 69 17.156 19.972 -2.517 1.00 25.00 H new ATOM 0 HE ARG A 69 17.393 18.733 -5.031 1.00 25.00 H new ATOM 0 HH11 ARG A 69 18.057 21.985 -3.680 1.00 25.00 H new ATOM 0 HH12 ARG A 69 19.398 22.232 -4.804 1.00 25.00 H new ATOM 0 HH21 ARG A 69 19.058 19.150 -6.373 1.00 25.00 H new ATOM 0 HH22 ARG A 69 19.941 20.678 -6.278 1.00 25.00 H new ATOM 982 N TRP A 70 13.091 15.811 -3.274 1.00 25.00 N ATOM 983 CA TRP A 70 11.915 15.509 -4.040 1.00 25.00 C ATOM 984 C TRP A 70 11.902 15.844 -5.541 1.00 25.00 C ATOM 985 O TRP A 70 12.281 16.868 -5.940 1.00 25.00 O ATOM 986 CB TRP A 70 10.730 16.210 -3.342 1.00 25.00 C ATOM 987 CG TRP A 70 10.966 17.666 -2.877 1.00 25.00 C ATOM 988 CD1 TRP A 70 11.572 18.620 -3.635 1.00 25.00 C ATOM 989 CD2 TRP A 70 10.626 18.303 -1.658 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.517 19.843 -3.041 1.00 25.00 N ATOM 991 CE2 TRP A 70 10.943 19.669 -1.818 1.00 25.00 C ATOM 992 CE3 TRP A 70 10.019 17.866 -0.417 1.00 25.00 C ATOM 993 CZ2 TRP A 70 10.766 20.605 -0.765 1.00 25.00 C ATOM 994 CZ3 TRP A 70 9.728 18.802 0.547 1.00 25.00 C ATOM 995 CH2 TRP A 70 10.143 20.172 0.393 1.00 25.00 C ATOM 0 H TRP A 70 12.879 15.811 -2.276 1.00 25.00 H new ATOM 0 HA TRP A 70 11.862 14.420 -4.052 1.00 25.00 H new ATOM 0 HB2 TRP A 70 9.880 16.203 -4.024 1.00 25.00 H new ATOM 0 HB3 TRP A 70 10.446 15.616 -2.473 1.00 25.00 H new ATOM 0 HD1 TRP A 70 12.039 18.430 -4.590 1.00 25.00 H new ATOM 0 HE1 TRP A 70 11.844 20.724 -3.437 1.00 25.00 H new ATOM 0 HE3 TRP A 70 9.799 16.822 -0.252 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 11.107 21.625 -0.865 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 9.182 18.506 1.430 1.00 25.00 H new ATOM 0 HH2 TRP A 70 9.965 20.874 1.194 1.00 25.00 H new ATOM 1006 N PHE A 71 11.500 14.876 -6.350 1.00 25.00 N ATOM 1007 CA PHE A 71 11.817 14.903 -7.756 1.00 25.00 C ATOM 1008 C PHE A 71 11.166 15.934 -8.587 1.00 25.00 C ATOM 1009 O PHE A 71 10.063 16.286 -8.217 1.00 25.00 O ATOM 1010 CB PHE A 71 11.620 13.525 -8.433 1.00 25.00 C ATOM 1011 CG PHE A 71 10.194 13.160 -8.705 1.00 25.00 C ATOM 1012 CD1 PHE A 71 9.381 12.652 -7.745 1.00 50.00 C ATOM 1013 CD2 PHE A 71 9.695 13.335 -10.039 1.00 50.00 C ATOM 1014 CE1 PHE A 71 8.078 12.305 -8.053 1.00 25.00 C ATOM 1015 CE2 PHE A 71 8.409 12.883 -10.325 1.00 25.00 C ATOM 1016 CZ PHE A 71 7.556 12.349 -9.377 1.00 25.00 C ATOM 0 H PHE A 71 10.955 14.067 -6.051 1.00 25.00 H new ATOM 0 HA PHE A 71 12.870 15.184 -7.722 1.00 25.00 H new ATOM 0 HB2 PHE A 71 12.169 13.516 -9.375 1.00 25.00 H new ATOM 0 HB3 PHE A 71 12.063 12.757 -7.799 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.752 12.518 -6.739 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.300 13.804 -10.800 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.427 11.986 -7.253 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.059 12.954 -11.344 1.00 25.00 H new ATOM 0 HZ PHE A 71 6.567 11.992 -9.623 1.00 25.00 H new ATOM 1026 N LYS A 72 11.813 16.522 -9.567 1.00 25.00 N ATOM 1027 CA LYS A 72 11.298 17.769 -10.232 1.00 25.00 C ATOM 1028 C LYS A 72 10.915 17.428 -11.671 1.00 25.00 C ATOM 1029 O LYS A 72 11.517 16.531 -12.335 1.00 25.00 O ATOM 1030 CB LYS A 72 12.325 18.858 -10.183 1.00 25.00 C ATOM 1031 CG LYS A 72 11.750 20.292 -10.336 1.00 25.00 C ATOM 1032 CD LYS A 72 12.947 21.284 -10.173 1.00 25.00 C ATOM 1033 CE LYS A 72 13.919 21.295 -11.320 1.00 25.00 C ATOM 1034 NZ LYS A 72 14.985 22.365 -11.325 1.00 25.00 N1+ ATOM 0 H LYS A 72 12.698 16.183 -9.944 1.00 25.00 H new ATOM 0 HA LYS A 72 10.419 18.137 -9.704 1.00 25.00 H new ATOM 0 HB2 LYS A 72 12.860 18.794 -9.235 1.00 25.00 H new ATOM 0 HB3 LYS A 72 13.056 18.687 -10.973 1.00 25.00 H new ATOM 0 HG2 LYS A 72 11.276 20.416 -11.310 1.00 25.00 H new ATOM 0 HG3 LYS A 72 10.985 20.483 -9.583 1.00 25.00 H new ATOM 0 HD2 LYS A 72 12.551 22.291 -10.042 1.00 25.00 H new ATOM 0 HD3 LYS A 72 13.487 21.033 -9.260 1.00 25.00 H new ATOM 0 HE2 LYS A 72 14.416 20.326 -11.348 1.00 25.00 H new ATOM 0 HE3 LYS A 72 13.347 21.386 -12.244 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 15.583 22.255 -12.169 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 14.536 23.303 -11.339 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.571 22.275 -10.471 1.00 25.00 H new ATOM 1048 N HIS A 73 9.863 18.143 -12.152 1.00 25.00 N ATOM 1049 CA HIS A 73 9.470 18.137 -13.530 1.00 25.00 C ATOM 1050 C HIS A 73 9.491 19.592 -14.051 1.00 25.00 C ATOM 1051 O HIS A 73 8.892 20.404 -13.398 1.00 25.00 O ATOM 1052 CB HIS A 73 8.080 17.588 -13.694 1.00 25.00 C ATOM 1053 CG HIS A 73 8.083 16.225 -14.195 1.00 25.00 C ATOM 1054 ND1 HIS A 73 8.245 15.871 -15.542 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.983 15.081 -13.532 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.167 14.571 -15.662 1.00 25.00 C ATOM 1057 NE2 HIS A 73 7.975 14.076 -14.478 1.00 25.00 N ATOM 0 H HIS A 73 9.278 18.736 -11.563 1.00 25.00 H new ATOM 0 HA HIS A 73 10.161 17.507 -14.090 1.00 25.00 H new ATOM 0 HB2 HIS A 73 7.564 17.619 -12.735 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.519 18.224 -14.379 1.00 25.00 H new ATOM 0 HD2 HIS A 73 7.920 14.959 -12.461 1.00 25.00 H new ATOM 0 HE1 HIS A 73 8.248 14.010 -16.581 1.00 25.00 H new ATOM 0 HE2 HIS A 73 7.838 13.086 -14.275 1.00 25.00 H new ATOM 1065 N ILE A 74 9.986 19.885 -15.247 1.00 25.00 N ATOM 1066 CA ILE A 74 9.910 21.241 -15.819 1.00 25.00 C ATOM 1067 C ILE A 74 8.688 21.235 -16.723 1.00 25.00 C ATOM 1068 O ILE A 74 8.485 20.377 -17.568 1.00 25.00 O ATOM 1069 CB ILE A 74 11.251 21.550 -16.603 1.00 25.00 C ATOM 1070 CG1 ILE A 74 12.430 21.627 -15.570 1.00 25.00 C ATOM 1071 CG2 ILE A 74 11.072 22.761 -17.482 1.00 25.00 C ATOM 1072 CD1 ILE A 74 13.892 21.715 -16.126 1.00 25.00 C ATOM 0 H ILE A 74 10.448 19.204 -15.849 1.00 25.00 H new ATOM 0 HA ILE A 74 9.809 22.023 -15.066 1.00 25.00 H new ATOM 0 HB ILE A 74 11.512 20.750 -17.296 1.00 25.00 H new ATOM 0 HG12 ILE A 74 12.261 22.497 -14.935 1.00 25.00 H new ATOM 0 HG13 ILE A 74 12.369 20.748 -14.928 1.00 25.00 H new ATOM 0 HG21 ILE A 74 12.000 22.964 -18.016 1.00 25.00 H new ATOM 0 HG22 ILE A 74 10.274 22.574 -18.200 1.00 25.00 H new ATOM 0 HG23 ILE A 74 10.812 23.622 -16.866 1.00 25.00 H new ATOM 0 HD11 ILE A 74 14.595 21.762 -15.295 1.00 25.00 H new ATOM 0 HD12 ILE A 74 14.104 20.834 -16.732 1.00 25.00 H new ATOM 0 HD13 ILE A 74 13.995 22.610 -16.739 1.00 25.00 H new ATOM 1084 N MET A 75 7.723 22.129 -16.378 1.00 25.00 N ATOM 1085 CA MET A 75 6.315 22.097 -16.873 1.00 25.00 C ATOM 1086 C MET A 75 5.899 23.412 -17.438 1.00 25.00 C ATOM 1087 O MET A 75 6.628 24.361 -17.294 1.00 25.00 O ATOM 1088 CB MET A 75 5.395 21.475 -15.799 1.00 25.00 C ATOM 1089 CG MET A 75 5.761 20.005 -15.567 1.00 25.00 C ATOM 1090 SD MET A 75 4.711 19.022 -14.505 1.00 25.00 S ATOM 1091 CE MET A 75 3.516 18.427 -15.661 1.00 25.00 C ATOM 0 H MET A 75 7.901 22.904 -15.739 1.00 25.00 H new ATOM 0 HA MET A 75 6.224 21.432 -17.732 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.487 22.031 -14.866 1.00 25.00 H new ATOM 0 HB3 MET A 75 4.354 21.552 -16.114 1.00 25.00 H new ATOM 0 HG2 MET A 75 5.800 19.515 -16.540 1.00 25.00 H new ATOM 0 HG3 MET A 75 6.770 19.976 -15.155 1.00 25.00 H new ATOM 0 HE1 MET A 75 2.792 17.797 -15.144 1.00 25.00 H new ATOM 0 HE2 MET A 75 3.001 19.271 -16.119 1.00 25.00 H new ATOM 0 HE3 MET A 75 4.017 17.845 -16.435 1.00 25.00 H new ATOM 1101 N THR A 76 4.686 23.477 -18.018 1.00 25.00 N ATOM 1102 CA THR A 76 4.053 24.695 -18.528 1.00 25.00 C ATOM 1103 C THR A 76 2.808 25.054 -17.665 1.00 25.00 C ATOM 1104 O THR A 76 2.457 24.243 -16.784 1.00 25.00 O ATOM 1105 CB THR A 76 3.550 24.530 -19.992 1.00 25.00 C ATOM 1106 OG1 THR A 76 2.726 23.371 -20.147 1.00 25.00 O ATOM 1107 CG2 THR A 76 4.744 24.326 -20.890 1.00 25.00 C ATOM 0 H THR A 76 4.104 22.650 -18.146 1.00 25.00 H new ATOM 0 HA THR A 76 4.814 25.474 -18.486 1.00 25.00 H new ATOM 0 HB THR A 76 2.977 25.423 -20.243 1.00 25.00 H new ATOM 0 HG1 THR A 76 2.429 23.303 -21.078 1.00 25.00 H new ATOM 0 HG21 THR A 76 4.408 24.209 -21.920 1.00 25.00 H new ATOM 0 HG22 THR A 76 5.404 25.191 -20.820 1.00 25.00 H new ATOM 0 HG23 THR A 76 5.284 23.431 -20.580 1.00 25.00 H new ATOM 1115 N GLY A 77 2.200 26.208 -17.848 1.00 25.00 N ATOM 1116 CA GLY A 77 0.907 26.454 -17.166 1.00 25.00 C ATOM 1117 C GLY A 77 -0.152 25.757 -18.010 1.00 25.00 C ATOM 1118 O GLY A 77 0.087 25.084 -19.012 1.00 25.00 O ATOM 0 H GLY A 77 2.544 26.970 -18.431 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.920 26.058 -16.151 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.704 27.522 -17.089 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.343 25.658 -17.539 1.00 25.00 N ATOM 1123 CA GLY A 78 -2.429 24.865 -18.118 1.00 25.00 C ATOM 1124 C GLY A 78 -2.950 23.867 -17.076 1.00 25.00 C ATOM 1125 O GLY A 78 -2.343 23.917 -16.019 1.00 25.00 O ATOM 0 H GLY A 78 -1.628 26.147 -16.690 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.237 25.520 -18.445 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.074 24.333 -19.000 1.00 25.00 H new ATOM 1129 N GLU A 79 -3.973 23.067 -17.393 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.240 22.005 -16.452 1.00 25.00 C ATOM 1131 C GLU A 79 -3.162 20.913 -16.434 1.00 25.00 C ATOM 1132 O GLU A 79 -2.610 20.529 -17.459 1.00 25.00 O ATOM 1133 CB GLU A 79 -5.644 21.366 -16.737 1.00 25.00 C ATOM 1134 CG GLU A 79 -6.742 22.362 -16.605 1.00 25.00 C ATOM 1135 CD GLU A 79 -8.113 21.808 -16.892 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -8.907 21.645 -15.943 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -8.486 21.582 -18.072 1.00 25.00 O1- ATOM 0 H GLU A 79 -4.573 23.128 -18.216 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.231 22.466 -15.464 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -5.654 20.945 -17.742 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -5.816 20.542 -16.044 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -6.730 22.768 -15.593 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -6.548 23.193 -17.284 1.00 25.00 H new ATOM 1144 N HIS A 80 -2.865 20.540 -15.206 1.00 25.00 N ATOM 1145 CA HIS A 80 -1.919 19.454 -14.881 1.00 25.00 C ATOM 1146 C HIS A 80 -2.729 18.356 -14.327 1.00 25.00 C ATOM 1147 O HIS A 80 -3.561 18.498 -13.392 1.00 25.00 O ATOM 1148 CB HIS A 80 -0.985 19.941 -13.801 1.00 25.00 C ATOM 1149 CG HIS A 80 0.122 20.808 -14.304 1.00 25.00 C ATOM 1150 ND1 HIS A 80 1.408 20.635 -13.862 1.00 25.00 N ATOM 1151 CD2 HIS A 80 0.179 21.819 -15.177 1.00 25.00 C ATOM 1152 CE1 HIS A 80 2.157 21.564 -14.421 1.00 25.00 C ATOM 1153 NE2 HIS A 80 1.470 22.300 -15.186 1.00 25.00 N ATOM 0 H HIS A 80 -3.273 20.981 -14.381 1.00 25.00 H new ATOM 0 HA HIS A 80 -1.347 19.141 -15.754 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -1.560 20.496 -13.060 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -0.555 19.079 -13.290 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.642 22.193 -15.771 1.00 25.00 H new ATOM 0 HE1 HIS A 80 3.217 21.681 -14.249 1.00 25.00 H new ATOM 0 HE2 HIS A 80 1.810 23.104 -15.714 1.00 25.00 H new ATOM 1161 N THR A 81 -2.493 17.147 -14.744 1.00 25.00 N ATOM 1162 CA THR A 81 -3.144 15.952 -14.155 1.00 25.00 C ATOM 1163 C THR A 81 -2.346 15.339 -13.049 1.00 25.00 C ATOM 1164 O THR A 81 -1.132 15.058 -13.205 1.00 25.00 O ATOM 1165 CB THR A 81 -3.304 14.945 -15.202 1.00 25.00 C ATOM 1166 OG1 THR A 81 -3.808 15.561 -16.400 1.00 25.00 O ATOM 1167 CG2 THR A 81 -4.218 13.830 -14.821 1.00 25.00 C ATOM 0 H THR A 81 -1.846 16.932 -15.503 1.00 25.00 H new ATOM 0 HA THR A 81 -4.099 16.276 -13.741 1.00 25.00 H new ATOM 0 HB THR A 81 -2.315 14.517 -15.363 1.00 25.00 H new ATOM 0 HG1 THR A 81 -4.674 15.980 -16.213 1.00 25.00 H new ATOM 0 HG21 THR A 81 -4.289 13.120 -15.645 1.00 25.00 H new ATOM 0 HG22 THR A 81 -3.826 13.323 -13.939 1.00 25.00 H new ATOM 0 HG23 THR A 81 -5.208 14.230 -14.600 1.00 25.00 H new ATOM 1175 N PHE A 82 -2.933 14.995 -11.937 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.291 14.223 -10.821 1.00 25.00 C ATOM 1177 C PHE A 82 -3.093 12.935 -10.564 1.00 25.00 C ATOM 1178 O PHE A 82 -4.316 12.956 -10.518 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.253 15.162 -9.607 1.00 25.00 C ATOM 1180 CG PHE A 82 -1.280 16.326 -9.806 1.00 25.00 C ATOM 1181 CD1 PHE A 82 0.073 16.131 -9.514 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -1.723 17.602 -10.182 1.00 50.00 C ATOM 1183 CE1 PHE A 82 1.048 17.192 -9.761 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -0.892 18.667 -10.363 1.00 25.00 C ATOM 1185 CZ PHE A 82 0.504 18.503 -10.216 1.00 25.00 C ATOM 0 H PHE A 82 -3.905 15.235 -11.741 1.00 25.00 H new ATOM 0 HA PHE A 82 -1.275 13.905 -11.057 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.253 15.554 -9.422 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.964 14.596 -8.721 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.401 15.188 -9.102 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -2.782 17.749 -10.337 1.00 50.00 H new ATOM 0 HE1 PHE A 82 2.107 17.034 -9.621 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -1.299 19.634 -10.618 1.00 25.00 H new ATOM 0 HZ PHE A 82 1.173 19.323 -10.432 1.00 25.00 H new ATOM 1195 N THR A 83 -2.409 11.822 -10.575 1.00 25.00 N ATOM 1196 CA THR A 83 -3.059 10.494 -10.615 1.00 25.00 C ATOM 1197 C THR A 83 -2.270 9.570 -9.686 1.00 25.00 C ATOM 1198 O THR A 83 -1.039 9.512 -9.770 1.00 25.00 O ATOM 1199 CB THR A 83 -3.121 9.913 -12.040 1.00 25.00 C ATOM 1200 OG1 THR A 83 -3.593 10.964 -12.894 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.020 8.719 -12.110 1.00 25.00 C ATOM 0 H THR A 83 -1.390 11.786 -10.557 1.00 25.00 H new ATOM 0 HA THR A 83 -4.094 10.588 -10.286 1.00 25.00 H new ATOM 0 HB THR A 83 -2.136 9.567 -12.353 1.00 25.00 H new ATOM 0 HG1 THR A 83 -3.647 10.637 -13.816 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.038 8.337 -13.131 1.00 25.00 H new ATOM 0 HG22 THR A 83 -3.649 7.944 -11.439 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.029 9.005 -11.811 1.00 25.00 H new ATOM 1209 N TRP A 84 -3.070 8.991 -8.810 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.519 7.956 -7.919 1.00 25.00 C ATOM 1211 C TRP A 84 -2.973 6.572 -8.417 1.00 25.00 C ATOM 1212 O TRP A 84 -3.895 6.423 -9.202 1.00 25.00 O ATOM 1213 CB TRP A 84 -3.104 8.102 -6.535 1.00 25.00 C ATOM 1214 CG TRP A 84 -2.603 9.298 -5.749 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -1.583 10.126 -6.098 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -2.984 9.707 -4.412 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -1.260 10.997 -5.109 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -2.070 10.735 -4.037 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -3.958 9.282 -3.494 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -2.063 11.267 -2.763 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -3.955 9.759 -2.190 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -2.986 10.748 -1.807 1.00 25.00 C ATOM 0 H TRP A 84 -4.061 9.198 -8.688 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.434 8.058 -7.907 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -4.188 8.171 -6.621 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -2.887 7.197 -5.968 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -1.085 10.094 -7.056 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.541 11.719 -5.156 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -4.716 8.578 -3.805 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -1.376 12.056 -2.497 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -4.673 9.391 -1.472 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -2.956 11.102 -0.787 1.00 25.00 H new ATOM 1233 N THR A 85 -2.312 5.543 -7.965 1.00 25.00 N ATOM 1234 CA THR A 85 -2.834 4.185 -8.104 1.00 25.00 C ATOM 1235 C THR A 85 -2.280 3.470 -6.883 1.00 25.00 C ATOM 1236 O THR A 85 -1.177 3.784 -6.434 1.00 25.00 O ATOM 1237 CB THR A 85 -2.528 3.514 -9.429 1.00 25.00 C ATOM 1238 OG1 THR A 85 -3.034 2.213 -9.334 1.00 25.00 O ATOM 1239 CG2 THR A 85 -1.110 3.292 -9.786 1.00 25.00 C ATOM 0 H THR A 85 -1.409 5.604 -7.495 1.00 25.00 H new ATOM 0 HA THR A 85 -3.923 4.166 -8.133 1.00 25.00 H new ATOM 0 HB THR A 85 -2.948 4.191 -10.173 1.00 25.00 H new ATOM 0 HG1 THR A 85 -2.863 1.733 -10.171 1.00 25.00 H new ATOM 0 HG21 THR A 85 -1.052 2.804 -10.759 1.00 25.00 H new ATOM 0 HG22 THR A 85 -0.591 4.250 -9.828 1.00 25.00 H new ATOM 0 HG23 THR A 85 -0.640 2.658 -9.034 1.00 25.00 H new ATOM 1247 N TYR A 86 -2.997 2.516 -6.303 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.578 1.637 -5.221 1.00 25.00 C ATOM 1249 C TYR A 86 -2.670 0.186 -5.623 1.00 25.00 C ATOM 1250 O TYR A 86 -3.604 -0.159 -6.366 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.352 1.956 -3.949 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.026 3.276 -3.341 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -3.753 4.426 -3.787 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -2.043 3.449 -2.380 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -3.374 5.724 -3.291 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -1.629 4.711 -1.935 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.383 5.877 -2.370 1.00 25.00 C ATOM 1258 OH TYR A 86 -2.122 7.116 -1.905 1.00 25.00 O ATOM 0 H TYR A 86 -3.954 2.323 -6.598 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.525 1.820 -5.007 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -4.419 1.926 -4.171 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.157 1.174 -3.215 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -4.572 4.322 -4.484 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -1.576 2.573 -1.956 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -3.889 6.599 -3.659 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -0.772 4.816 -1.286 1.00 25.00 H new ATOM 0 HH TYR A 86 -2.762 7.751 -2.289 1.00 25.00 H new ATOM 1268 N THR A 87 -1.701 -0.617 -5.152 1.00 25.00 N ATOM 1269 CA THR A 87 -1.424 -1.960 -5.554 1.00 25.00 C ATOM 1270 C THR A 87 -2.019 -3.022 -4.681 1.00 25.00 C ATOM 1271 O THR A 87 -1.961 -4.265 -4.936 1.00 25.00 O ATOM 1272 CB THR A 87 0.035 -2.137 -5.739 1.00 25.00 C ATOM 1273 OG1 THR A 87 0.735 -2.069 -4.499 1.00 25.00 O ATOM 1274 CG2 THR A 87 0.634 -1.079 -6.725 1.00 25.00 C ATOM 0 H THR A 87 -1.057 -0.298 -4.428 1.00 25.00 H new ATOM 0 HA THR A 87 -1.932 -2.104 -6.508 1.00 25.00 H new ATOM 0 HB THR A 87 0.166 -3.130 -6.169 1.00 25.00 H new ATOM 0 HG1 THR A 87 0.569 -1.200 -4.077 1.00 25.00 H new ATOM 0 HG21 THR A 87 1.706 -1.246 -6.831 1.00 25.00 H new ATOM 0 HG22 THR A 87 0.154 -1.176 -7.699 1.00 25.00 H new ATOM 0 HG23 THR A 87 0.460 -0.077 -6.333 1.00 25.00 H new ATOM 1282 N ALA A 88 -2.645 -2.599 -3.575 1.00 25.00 N ATOM 1283 CA ALA A 88 -3.270 -3.562 -2.639 1.00 25.00 C ATOM 1284 C ALA A 88 -4.497 -2.792 -2.093 1.00 25.00 C ATOM 1285 O ALA A 88 -4.453 -1.554 -2.066 1.00 25.00 O ATOM 1286 CB ALA A 88 -2.283 -3.929 -1.429 1.00 25.00 C ATOM 0 H ALA A 88 -2.735 -1.620 -3.304 1.00 25.00 H new ATOM 0 HA ALA A 88 -3.521 -4.504 -3.126 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -2.773 -4.638 -0.762 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -1.371 -4.376 -1.826 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -2.033 -3.024 -0.876 1.00 25.00 H new ATOM 1292 N PRO A 89 -5.650 -3.463 -1.976 1.00 25.00 N ATOM 1293 CA PRO A 89 -6.748 -2.713 -1.422 1.00 25.00 C ATOM 1294 C PRO A 89 -6.577 -2.233 0.011 1.00 25.00 C ATOM 1295 O PRO A 89 -6.044 -2.996 0.824 1.00 25.00 O ATOM 1296 CB PRO A 89 -7.906 -3.659 -1.556 1.00 25.00 C ATOM 1297 CG PRO A 89 -7.556 -4.610 -2.478 1.00 25.00 C ATOM 1298 CD PRO A 89 -6.028 -4.849 -2.284 1.00 25.00 C ATOM 0 HA PRO A 89 -6.865 -1.768 -1.952 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -8.136 -4.122 -0.596 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -8.801 -3.126 -1.876 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -8.118 -5.531 -2.323 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -7.773 -4.271 -3.491 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -5.804 -5.543 -1.473 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -5.540 -5.236 -3.178 1.00 25.00 H new ATOM 1306 N HIS A 90 -6.971 -0.987 0.313 1.00 25.00 N ATOM 1307 CA HIS A 90 -6.918 -0.427 1.643 1.00 25.00 C ATOM 1308 C HIS A 90 -8.152 0.520 1.580 1.00 25.00 C ATOM 1309 O HIS A 90 -8.686 0.790 0.520 1.00 25.00 O ATOM 1310 CB HIS A 90 -5.625 0.319 1.785 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.415 -0.599 1.867 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.186 -1.440 2.882 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.447 -0.895 0.947 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -3.101 -2.168 2.606 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.585 -1.814 1.429 1.00 0.00 N ATOM 0 H HIS A 90 -7.340 -0.340 -0.384 1.00 25.00 H new ATOM 0 HA HIS A 90 -6.950 -1.122 2.482 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -5.506 0.993 0.937 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -5.666 0.938 2.681 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.749 -1.513 3.729 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.381 -0.452 -0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.697 -2.937 3.248 1.00 0.00 H new ATOM 1323 N ASN A 91 -8.578 1.073 2.717 1.00 25.00 N ATOM 1324 CA ASN A 91 -9.741 1.938 2.754 1.00 25.00 C ATOM 1325 C ASN A 91 -9.278 3.351 3.065 1.00 25.00 C ATOM 1326 O ASN A 91 -8.935 3.720 4.168 1.00 25.00 O ATOM 1327 CB ASN A 91 -10.722 1.458 3.864 1.00 25.00 C ATOM 1328 CG ASN A 91 -11.404 0.135 3.542 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -11.662 -0.131 2.354 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -11.788 -0.620 4.501 1.00 25.00 N ATOM 0 H ASN A 91 -8.129 0.932 3.622 1.00 25.00 H new ATOM 0 HA ASN A 91 -10.255 1.911 1.793 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -10.176 1.357 4.802 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -11.484 2.222 4.020 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -12.321 -1.466 4.302 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -11.561 -0.375 5.465 1.00 25.00 H new ATOM 1337 N THR A 92 -9.457 4.194 2.051 1.00 25.00 N ATOM 1338 CA THR A 92 -9.231 5.636 2.201 1.00 25.00 C ATOM 1339 C THR A 92 -10.308 6.290 3.033 1.00 25.00 C ATOM 1340 O THR A 92 -11.493 6.077 2.863 1.00 25.00 O ATOM 1341 CB THR A 92 -9.255 6.320 0.750 1.00 25.00 C ATOM 1342 OG1 THR A 92 -8.402 5.526 -0.084 1.00 25.00 O ATOM 1343 CG2 THR A 92 -8.838 7.795 0.670 1.00 25.00 C ATOM 0 H THR A 92 -9.757 3.909 1.119 1.00 25.00 H new ATOM 0 HA THR A 92 -8.270 5.770 2.697 1.00 25.00 H new ATOM 0 HB THR A 92 -10.297 6.343 0.431 1.00 25.00 H new ATOM 0 HG1 THR A 92 -8.384 5.904 -0.988 1.00 25.00 H new ATOM 0 HG21 THR A 92 -8.898 8.135 -0.364 1.00 25.00 H new ATOM 0 HG22 THR A 92 -9.505 8.396 1.289 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.814 7.904 1.029 1.00 25.00 H new ATOM 1351 N SER A 93 -9.905 7.151 3.934 1.00 25.00 N ATOM 1352 CA SER A 93 -10.784 8.066 4.642 1.00 25.00 C ATOM 1353 C SER A 93 -10.782 9.456 4.043 1.00 25.00 C ATOM 1354 O SER A 93 -11.853 10.086 3.761 1.00 25.00 O ATOM 1355 CB SER A 93 -10.284 8.082 6.096 1.00 25.00 C ATOM 1356 OG SER A 93 -8.982 7.545 6.216 1.00 25.00 O ATOM 0 H SER A 93 -8.927 7.242 4.208 1.00 25.00 H new ATOM 0 HA SER A 93 -11.820 7.734 4.572 1.00 25.00 H new ATOM 0 HB2 SER A 93 -10.289 9.106 6.470 1.00 25.00 H new ATOM 0 HB3 SER A 93 -10.970 7.511 6.721 1.00 25.00 H new ATOM 0 HG SER A 93 -8.701 7.575 7.154 1.00 25.00 H new ATOM 1362 N GLN A 94 -9.639 10.076 3.735 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.654 11.363 3.064 1.00 25.00 C ATOM 1364 C GLN A 94 -8.365 11.327 2.272 1.00 25.00 C ATOM 1365 O GLN A 94 -7.433 10.604 2.578 1.00 25.00 O ATOM 1366 CB GLN A 94 -9.584 12.497 4.156 1.00 25.00 C ATOM 1367 CG GLN A 94 -10.282 13.718 3.687 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.249 14.938 4.590 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.769 16.018 4.223 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -10.807 14.812 5.733 1.00 25.00 N ATOM 0 H GLN A 94 -8.710 9.709 3.939 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.535 11.549 2.450 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.038 12.145 5.082 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -8.543 12.730 4.380 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.854 14.001 2.725 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -11.326 13.460 3.509 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -11.196 13.912 6.014 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.864 15.612 6.364 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.289 12.151 1.238 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.960 12.461 0.744 1.00 25.00 C ATOM 1381 C TRP A 95 -6.821 13.928 0.301 1.00 25.00 C ATOM 1382 O TRP A 95 -7.819 14.639 0.138 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.484 11.467 -0.326 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.459 11.201 -1.508 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -8.646 10.564 -1.513 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.175 11.477 -2.903 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -9.145 10.444 -2.736 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.333 11.028 -3.617 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -6.099 11.990 -3.614 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.357 11.043 -5.038 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -6.144 12.038 -4.989 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -7.246 11.574 -5.700 1.00 25.00 C ATOM 0 H TRP A 95 -9.072 12.590 0.754 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.283 12.339 1.590 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.542 11.832 -0.736 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.272 10.516 0.162 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -9.135 10.194 -0.624 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -10.020 9.974 -2.968 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -5.227 12.351 -3.089 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.204 10.658 -5.587 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -5.303 12.446 -5.529 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -7.243 11.625 -6.779 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.605 14.494 0.374 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.310 15.962 0.475 1.00 25.00 C ATOM 1405 C HIS A 96 -4.297 16.353 -0.575 1.00 25.00 C ATOM 1406 O HIS A 96 -3.385 15.605 -0.820 1.00 25.00 O ATOM 1407 CB HIS A 96 -4.712 16.338 1.838 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.482 15.840 3.034 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -6.315 16.620 3.849 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.459 14.625 3.647 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -6.634 15.959 4.934 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.184 14.755 4.814 1.00 25.00 N ATOM 0 H HIS A 96 -4.754 13.931 0.365 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.258 16.483 0.337 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -3.696 15.948 1.892 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -4.640 17.424 1.898 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -4.968 13.732 3.289 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -7.178 16.352 5.780 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -6.342 14.005 5.487 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.355 17.599 -1.010 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.205 18.289 -1.605 1.00 25.00 C ATOM 1422 C TYR A 97 -3.054 19.709 -1.042 1.00 25.00 C ATOM 1423 O TYR A 97 -4.023 20.389 -0.885 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.520 18.493 -3.085 1.00 25.00 C ATOM 1425 CG TYR A 97 -3.656 17.228 -3.935 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -4.890 16.634 -4.243 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -2.509 16.683 -4.557 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -4.998 15.524 -5.159 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -2.623 15.468 -5.331 1.00 25.00 C ATOM 1430 CZ TYR A 97 -3.826 14.948 -5.698 1.00 25.00 C ATOM 1431 OH TYR A 97 -3.657 13.965 -6.608 1.00 25.00 O ATOM 0 H TYR A 97 -5.199 18.170 -0.964 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.310 17.699 -1.407 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -4.450 19.057 -3.161 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.735 19.113 -3.519 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -5.786 17.020 -3.780 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -1.552 17.173 -4.454 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -5.969 15.136 -5.431 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -1.721 14.954 -5.629 1.00 25.00 H new ATOM 0 HH TYR A 97 -2.700 13.815 -6.753 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.795 20.120 -0.956 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.433 21.499 -0.592 1.00 25.00 C ATOM 1443 C TYR A 98 -0.418 21.912 -1.648 1.00 25.00 C ATOM 1444 O TYR A 98 0.316 21.081 -2.184 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.810 21.539 0.826 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.786 20.888 1.839 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.658 19.524 2.169 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.829 21.594 2.513 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.451 18.866 3.158 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.708 20.934 3.455 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.456 19.536 3.762 1.00 25.00 C ATOM 1452 OH TYR A 98 -4.256 18.877 4.666 1.00 25.00 O ATOM 0 H TYR A 98 -0.993 19.515 -1.134 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.293 22.168 -0.565 1.00 25.00 H new ATOM 0 HB2 TYR A 98 0.143 21.009 0.831 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.603 22.570 1.115 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -0.916 18.942 1.643 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.965 22.647 2.315 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.248 17.838 3.421 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -4.527 21.465 3.916 1.00 25.00 H new ATOM 0 HH TYR A 98 -4.813 18.223 4.194 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.171 23.227 -1.781 1.00 25.00 N ATOM 1463 CA ILE A 99 1.020 23.658 -2.503 1.00 25.00 C ATOM 1464 C ILE A 99 1.827 24.499 -1.545 1.00 25.00 C ATOM 1465 O ILE A 99 1.265 25.217 -0.742 1.00 25.00 O ATOM 1466 CB ILE A 99 0.707 24.436 -3.845 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.316 25.580 -3.593 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.316 23.462 -4.948 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.401 26.612 -4.688 1.00 25.00 C ATOM 0 H ILE A 99 -0.757 23.976 -1.412 1.00 25.00 H new ATOM 0 HA ILE A 99 1.578 22.781 -2.831 1.00 25.00 H new ATOM 0 HB ILE A 99 1.608 24.933 -4.204 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.303 25.140 -3.452 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.055 26.082 -2.661 1.00 25.00 H new ATOM 0 HG21 ILE A 99 0.104 24.015 -5.863 1.00 25.00 H new ATOM 0 HG22 ILE A 99 1.136 22.766 -5.126 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.572 22.907 -4.646 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.140 27.367 -4.420 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.572 27.087 -4.817 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -0.696 26.130 -5.620 1.00 25.00 H new ATOM 1481 N THR A 100 3.136 24.250 -1.470 1.00 25.00 N ATOM 1482 CA THR A 100 4.126 24.942 -0.622 1.00 25.00 C ATOM 1483 C THR A 100 4.271 26.296 -1.344 1.00 25.00 C ATOM 1484 O THR A 100 4.334 26.404 -2.557 1.00 25.00 O ATOM 1485 CB THR A 100 5.458 24.304 -0.686 1.00 25.00 C ATOM 1486 OG1 THR A 100 5.311 22.899 -0.260 1.00 25.00 O ATOM 1487 CG2 THR A 100 6.404 24.939 0.324 1.00 25.00 C ATOM 0 H THR A 100 3.566 23.515 -2.032 1.00 25.00 H new ATOM 0 HA THR A 100 3.814 24.963 0.422 1.00 25.00 H new ATOM 0 HB THR A 100 5.844 24.409 -1.700 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.183 22.453 -0.296 1.00 25.00 H new ATOM 0 HG21 THR A 100 7.379 24.456 0.262 1.00 25.00 H new ATOM 0 HG22 THR A 100 6.510 26.001 0.105 1.00 25.00 H new ATOM 0 HG23 THR A 100 6.000 24.814 1.329 1.00 25.00 H new ATOM 1495 N LYS A 101 4.196 27.374 -0.550 1.00 25.00 N ATOM 1496 CA LYS A 101 4.079 28.703 -1.174 1.00 25.00 C ATOM 1497 C LYS A 101 5.530 29.172 -1.439 1.00 25.00 C ATOM 1498 O LYS A 101 6.344 29.529 -0.578 1.00 25.00 O ATOM 1499 CB LYS A 101 3.395 29.650 -0.241 1.00 25.00 C ATOM 1500 CG LYS A 101 1.916 29.531 -0.204 1.00 25.00 C ATOM 1501 CD LYS A 101 1.349 30.642 0.727 1.00 25.00 C ATOM 1502 CE LYS A 101 0.674 31.671 -0.237 1.00 25.00 C ATOM 1503 NZ LYS A 101 0.387 32.971 0.587 1.00 25.00 N1+ ATOM 0 H LYS A 101 4.213 27.361 0.470 1.00 25.00 H new ATOM 0 HA LYS A 101 3.493 28.667 -2.092 1.00 25.00 H new ATOM 0 HB2 LYS A 101 3.783 29.490 0.765 1.00 25.00 H new ATOM 0 HB3 LYS A 101 3.656 30.669 -0.525 1.00 25.00 H new ATOM 0 HG2 LYS A 101 1.504 29.632 -1.208 1.00 25.00 H new ATOM 0 HG3 LYS A 101 1.625 28.546 0.162 1.00 25.00 H new ATOM 0 HD2 LYS A 101 0.629 30.234 1.436 1.00 25.00 H new ATOM 0 HD3 LYS A 101 2.141 31.110 1.312 1.00 25.00 H new ATOM 0 HE2 LYS A 101 1.327 31.889 -1.082 1.00 25.00 H new ATOM 0 HE3 LYS A 101 -0.251 31.264 -0.645 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -0.064 33.679 -0.027 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -0.247 32.746 1.380 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 1.281 33.352 0.956 1.00 25.00 H new ATOM 1517 N LYS A 102 5.920 29.098 -2.715 1.00 25.00 N ATOM 1518 CA LYS A 102 6.970 29.997 -3.184 1.00 25.00 C ATOM 1519 C LYS A 102 6.582 31.444 -2.924 1.00 25.00 C ATOM 1520 O LYS A 102 5.547 31.991 -3.438 1.00 25.00 O ATOM 1521 CB LYS A 102 7.323 29.766 -4.674 1.00 25.00 C ATOM 1522 CG LYS A 102 8.479 30.706 -5.089 1.00 25.00 C ATOM 1523 CD LYS A 102 8.892 30.632 -6.550 1.00 25.00 C ATOM 1524 CE LYS A 102 10.079 31.679 -6.843 1.00 25.00 C ATOM 1525 NZ LYS A 102 10.662 31.706 -8.231 1.00 25.00 N1+ ATOM 0 H LYS A 102 5.543 28.455 -3.412 1.00 25.00 H new ATOM 0 HA LYS A 102 7.873 29.771 -2.616 1.00 25.00 H new ATOM 0 HB2 LYS A 102 7.612 28.727 -4.832 1.00 25.00 H new ATOM 0 HB3 LYS A 102 6.449 29.952 -5.298 1.00 25.00 H new ATOM 0 HG2 LYS A 102 8.188 31.732 -4.864 1.00 25.00 H new ATOM 0 HG3 LYS A 102 9.348 30.478 -4.472 1.00 25.00 H new ATOM 0 HD2 LYS A 102 9.220 29.621 -6.792 1.00 25.00 H new ATOM 0 HD3 LYS A 102 8.037 30.852 -7.189 1.00 25.00 H new ATOM 0 HE2 LYS A 102 9.708 32.678 -6.616 1.00 25.00 H new ATOM 0 HE3 LYS A 102 10.889 31.472 -6.143 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 11.414 32.423 -8.278 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 11.060 30.772 -8.459 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 9.916 31.941 -8.916 1.00 25.00 H new ATOM 1539 N GLY A 103 7.375 32.012 -2.018 1.00 25.00 N ATOM 1540 CA GLY A 103 7.154 33.408 -1.742 1.00 25.00 C ATOM 1541 C GLY A 103 6.101 33.530 -0.711 1.00 25.00 C ATOM 1542 O GLY A 103 5.253 34.350 -0.776 1.00 25.00 O ATOM 0 H GLY A 103 8.125 31.556 -1.499 1.00 25.00 H new ATOM 0 HA2 GLY A 103 8.076 33.875 -1.396 1.00 25.00 H new ATOM 0 HA3 GLY A 103 6.854 33.929 -2.651 1.00 25.00 H new ATOM 1546 N TRP A 104 6.120 32.666 0.289 1.00 25.00 N ATOM 1547 CA TRP A 104 5.280 32.840 1.511 1.00 25.00 C ATOM 1548 C TRP A 104 5.574 34.245 2.168 1.00 25.00 C ATOM 1549 O TRP A 104 6.679 34.721 2.036 1.00 25.00 O ATOM 1550 CB TRP A 104 5.417 31.670 2.497 1.00 25.00 C ATOM 1551 CG TRP A 104 6.843 31.388 2.857 1.00 25.00 C ATOM 1552 CD1 TRP A 104 7.748 32.193 3.476 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.620 30.150 2.666 1.00 25.00 C ATOM 1554 NE1 TRP A 104 8.936 31.648 3.647 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.886 30.368 3.202 1.00 25.00 C ATOM 1556 CE3 TRP A 104 7.314 28.851 2.180 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 9.869 29.333 3.237 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 8.267 27.859 2.242 1.00 25.00 C ATOM 1559 CH2 TRP A 104 9.544 28.073 2.806 1.00 25.00 C ATOM 0 H TRP A 104 6.702 31.828 0.300 1.00 25.00 H new ATOM 0 HA TRP A 104 4.232 32.825 1.211 1.00 25.00 H new ATOM 0 HB2 TRP A 104 4.854 31.895 3.403 1.00 25.00 H new ATOM 0 HB3 TRP A 104 4.972 30.776 2.059 1.00 25.00 H new ATOM 0 HD1 TRP A 104 7.513 33.196 3.801 1.00 25.00 H new ATOM 0 HE1 TRP A 104 9.753 32.110 4.046 1.00 25.00 H new ATOM 0 HE3 TRP A 104 6.339 28.642 1.764 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 10.864 29.542 3.601 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 8.030 26.883 1.845 1.00 25.00 H new ATOM 0 HH2 TRP A 104 10.250 27.261 2.896 1.00 25.00 H new ATOM 1570 N ASP A 105 4.685 34.764 3.014 1.00 25.00 N ATOM 1571 CA ASP A 105 5.039 35.955 3.778 1.00 25.00 C ATOM 1572 C ASP A 105 5.853 35.390 4.907 1.00 25.00 C ATOM 1573 O ASP A 105 5.347 34.516 5.670 1.00 25.00 O ATOM 1574 CB ASP A 105 3.783 36.684 4.352 1.00 25.00 C ATOM 1575 CG ASP A 105 4.116 38.041 4.941 1.00 25.00 C ATOM 1576 OD1 ASP A 105 3.259 38.943 4.727 1.00 25.00 O ATOM 1577 OD2 ASP A 105 5.123 38.241 5.645 1.00 25.00 O1- ATOM 0 H ASP A 105 3.749 34.395 3.183 1.00 25.00 H new ATOM 0 HA ASP A 105 5.555 36.697 3.169 1.00 25.00 H new ATOM 0 HB2 ASP A 105 3.045 36.807 3.559 1.00 25.00 H new ATOM 0 HB3 ASP A 105 3.325 36.061 5.120 1.00 25.00 H new ATOM 1582 N PRO A 106 7.148 35.756 5.012 1.00 25.00 N ATOM 1583 CA PRO A 106 8.011 35.132 6.023 1.00 25.00 C ATOM 1584 C PRO A 106 7.739 35.518 7.483 1.00 25.00 C ATOM 1585 O PRO A 106 8.094 34.818 8.438 1.00 25.00 O ATOM 1586 CB PRO A 106 9.416 35.630 5.650 1.00 25.00 C ATOM 1587 CG PRO A 106 9.109 36.896 5.120 1.00 25.00 C ATOM 1588 CD PRO A 106 7.939 36.716 4.234 1.00 25.00 C ATOM 0 HA PRO A 106 7.850 34.054 6.001 1.00 25.00 H new ATOM 0 HB2 PRO A 106 10.077 35.692 6.515 1.00 25.00 H new ATOM 0 HB3 PRO A 106 9.905 34.983 4.921 1.00 25.00 H new ATOM 0 HG2 PRO A 106 8.885 37.605 5.917 1.00 25.00 H new ATOM 0 HG3 PRO A 106 9.956 37.298 4.565 1.00 25.00 H new ATOM 0 HD2 PRO A 106 7.403 37.650 4.063 1.00 25.00 H new ATOM 0 HD3 PRO A 106 8.218 36.324 3.256 1.00 25.00 H new ATOM 1596 N ASP A 107 7.167 36.727 7.590 1.00 25.00 N ATOM 1597 CA ASP A 107 7.066 37.412 8.885 1.00 25.00 C ATOM 1598 C ASP A 107 5.870 36.794 9.598 1.00 25.00 C ATOM 1599 O ASP A 107 5.544 37.190 10.717 1.00 25.00 O ATOM 1600 CB ASP A 107 6.828 38.886 8.721 1.00 25.00 C ATOM 1601 CG ASP A 107 7.110 39.653 10.047 1.00 25.00 C ATOM 1602 OD1 ASP A 107 8.298 39.575 10.494 1.00 75.00 O ATOM 1603 OD2 ASP A 107 6.256 40.357 10.632 1.00 75.00 O1- ATOM 0 H ASP A 107 6.772 37.244 6.805 1.00 25.00 H new ATOM 0 HA ASP A 107 7.996 37.296 9.441 1.00 25.00 H new ATOM 0 HB2 ASP A 107 7.469 39.275 7.930 1.00 25.00 H new ATOM 0 HB3 ASP A 107 5.798 39.058 8.410 1.00 25.00 H new ATOM 1608 N LYS A 108 5.189 35.938 8.838 1.00 25.00 N ATOM 1609 CA LYS A 108 3.891 35.342 9.211 1.00 25.00 C ATOM 1610 C LYS A 108 4.030 33.835 9.346 1.00 25.00 C ATOM 1611 O LYS A 108 4.853 33.332 8.613 1.00 25.00 O ATOM 1612 CB LYS A 108 2.843 35.705 8.199 1.00 25.00 C ATOM 1613 CG LYS A 108 2.485 37.156 8.149 1.00 25.00 C ATOM 1614 CD LYS A 108 1.358 37.381 7.090 1.00 25.00 C ATOM 1615 CE LYS A 108 1.042 38.868 6.982 1.00 25.00 C ATOM 1616 NZ LYS A 108 -0.100 39.073 6.048 1.00 25.00 N1+ ATOM 0 H LYS A 108 5.524 35.628 7.926 1.00 25.00 H new ATOM 0 HA LYS A 108 3.577 35.741 10.176 1.00 25.00 H new ATOM 0 HB2 LYS A 108 3.191 35.398 7.213 1.00 25.00 H new ATOM 0 HB3 LYS A 108 1.941 35.131 8.411 1.00 25.00 H new ATOM 0 HG2 LYS A 108 2.149 37.492 9.130 1.00 25.00 H new ATOM 0 HG3 LYS A 108 3.363 37.749 7.892 1.00 25.00 H new ATOM 0 HD2 LYS A 108 1.675 36.996 6.121 1.00 25.00 H new ATOM 0 HD3 LYS A 108 0.462 36.829 7.375 1.00 25.00 H new ATOM 0 HE2 LYS A 108 0.797 39.270 7.965 1.00 25.00 H new ATOM 0 HE3 LYS A 108 1.918 39.411 6.626 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 -0.312 40.089 5.977 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 0.150 38.705 5.108 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -0.936 38.569 6.406 1.00 25.00 H new ATOM 1630 N PRO A 109 3.225 33.162 10.203 1.00 25.00 N ATOM 1631 CA PRO A 109 3.189 31.699 10.378 1.00 25.00 C ATOM 1632 C PRO A 109 4.035 30.759 9.556 1.00 25.00 C ATOM 1633 O PRO A 109 3.628 30.140 8.532 1.00 25.00 O ATOM 1634 CB PRO A 109 1.749 31.454 10.397 1.00 25.00 C ATOM 1635 CG PRO A 109 1.266 32.513 11.327 1.00 25.00 C ATOM 1636 CD PRO A 109 2.161 33.706 11.080 1.00 25.00 C ATOM 0 HA PRO A 109 3.741 31.421 11.276 1.00 25.00 H new ATOM 0 HB2 PRO A 109 1.306 31.549 9.406 1.00 25.00 H new ATOM 0 HB3 PRO A 109 1.510 30.454 10.758 1.00 25.00 H new ATOM 0 HG2 PRO A 109 0.222 32.759 11.133 1.00 25.00 H new ATOM 0 HG3 PRO A 109 1.329 32.183 12.364 1.00 25.00 H new ATOM 0 HD2 PRO A 109 1.621 34.521 10.598 1.00 25.00 H new ATOM 0 HD3 PRO A 109 2.570 34.101 12.010 1.00 25.00 H new ATOM 1644 N LEU A 110 5.230 30.598 10.122 1.00 25.00 N ATOM 1645 CA LEU A 110 6.280 29.751 9.457 1.00 25.00 C ATOM 1646 C LEU A 110 5.764 28.345 9.290 1.00 25.00 C ATOM 1647 O LEU A 110 6.052 27.719 8.276 1.00 25.00 O ATOM 1648 CB LEU A 110 7.437 29.744 10.417 1.00 25.00 C ATOM 1649 CG LEU A 110 8.879 29.383 9.907 1.00 25.00 C ATOM 1650 CD1 LEU A 110 9.937 29.519 11.044 1.00 50.00 C ATOM 1651 CD2 LEU A 110 9.070 27.947 9.218 1.00 50.00 C ATOM 0 H LEU A 110 5.512 31.017 11.008 1.00 25.00 H new ATOM 0 HA LEU A 110 6.555 30.131 8.473 1.00 25.00 H new ATOM 0 HB2 LEU A 110 7.491 30.735 10.867 1.00 25.00 H new ATOM 0 HB3 LEU A 110 7.191 29.044 11.216 1.00 25.00 H new ATOM 0 HG LEU A 110 9.031 30.116 9.115 1.00 25.00 H new ATOM 0 HD11 LEU A 110 10.923 29.262 10.656 1.00 50.00 H new ATOM 0 HD12 LEU A 110 9.948 30.546 11.410 1.00 50.00 H new ATOM 0 HD13 LEU A 110 9.681 28.845 11.861 1.00 50.00 H new ATOM 0 HD21 LEU A 110 10.109 27.825 8.912 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.807 27.164 9.929 1.00 50.00 H new ATOM 0 HD23 LEU A 110 8.424 27.874 8.343 1.00 50.00 H new ATOM 1663 N LYS A 111 4.967 27.840 10.197 1.00 25.00 N ATOM 1664 CA LYS A 111 4.383 26.459 10.106 1.00 25.00 C ATOM 1665 C LYS A 111 3.066 26.321 9.352 1.00 25.00 C ATOM 1666 O LYS A 111 2.544 25.217 9.245 1.00 25.00 O ATOM 1667 CB LYS A 111 4.177 25.884 11.554 1.00 25.00 C ATOM 1668 CG LYS A 111 5.375 25.805 12.443 1.00 25.00 C ATOM 1669 CD LYS A 111 5.084 24.920 13.676 1.00 25.00 C ATOM 1670 CE LYS A 111 4.273 25.630 14.709 1.00 25.00 C ATOM 1671 NZ LYS A 111 4.118 24.854 15.970 1.00 25.00 N1+ ATOM 0 H LYS A 111 4.683 28.349 11.034 1.00 25.00 H new ATOM 0 HA LYS A 111 5.113 25.902 9.519 1.00 25.00 H new ATOM 0 HB2 LYS A 111 3.427 26.496 12.055 1.00 25.00 H new ATOM 0 HB3 LYS A 111 3.761 24.881 11.461 1.00 25.00 H new ATOM 0 HG2 LYS A 111 6.220 25.397 11.888 1.00 25.00 H new ATOM 0 HG3 LYS A 111 5.660 26.806 12.767 1.00 25.00 H new ATOM 0 HD2 LYS A 111 4.556 24.021 13.358 1.00 25.00 H new ATOM 0 HD3 LYS A 111 6.026 24.596 14.118 1.00 25.00 H new ATOM 0 HE2 LYS A 111 4.742 26.587 14.935 1.00 25.00 H new ATOM 0 HE3 LYS A 111 3.286 25.847 14.300 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 3.546 25.400 16.646 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 3.644 23.951 15.766 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 5.055 24.668 16.381 1.00 25.00 H new ATOM 1685 N ARG A 112 2.422 27.439 9.007 1.00 25.00 N ATOM 1686 CA ARG A 112 1.041 27.463 8.446 1.00 25.00 C ATOM 1687 C ARG A 112 0.679 28.352 7.279 1.00 25.00 C ATOM 1688 O ARG A 112 0.013 28.036 6.351 1.00 25.00 O ATOM 1689 CB ARG A 112 0.138 27.968 9.593 1.00 25.00 C ATOM 1690 CG ARG A 112 0.103 27.147 10.830 1.00 25.00 C ATOM 1691 CD ARG A 112 -0.835 27.629 11.874 1.00 25.00 C ATOM 1692 NE ARG A 112 -0.763 26.833 13.123 1.00 25.00 N ATOM 1693 CZ ARG A 112 -1.487 27.075 14.215 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -2.508 27.865 14.258 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -1.278 26.356 15.271 1.00 25.00 N ATOM 0 H ARG A 112 2.835 28.367 9.104 1.00 25.00 H new ATOM 0 HA ARG A 112 0.926 26.452 8.056 1.00 25.00 H new ATOM 0 HB2 ARG A 112 0.461 28.974 9.862 1.00 25.00 H new ATOM 0 HB3 ARG A 112 -0.880 28.052 9.212 1.00 25.00 H new ATOM 0 HG2 ARG A 112 -0.167 26.125 10.563 1.00 25.00 H new ATOM 0 HG3 ARG A 112 1.107 27.111 11.253 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -0.615 28.672 12.100 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -1.853 27.595 11.485 1.00 25.00 H new ATOM 0 HE ARG A 112 -0.115 26.046 13.148 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -2.810 28.355 13.416 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -3.013 27.999 15.134 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -0.570 25.621 15.256 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -1.821 26.524 16.118 1.00 25.00 H new ATOM 1709 N ALA A 113 1.220 29.551 7.250 1.00 25.00 N ATOM 1710 CA ALA A 113 1.114 30.444 6.122 1.00 25.00 C ATOM 1711 C ALA A 113 2.071 30.072 5.020 1.00 25.00 C ATOM 1712 O ALA A 113 2.075 30.630 3.922 1.00 25.00 O ATOM 1713 CB ALA A 113 1.460 31.899 6.662 1.00 25.00 C ATOM 0 H ALA A 113 1.756 29.938 8.027 1.00 25.00 H new ATOM 0 HA ALA A 113 0.111 30.391 5.700 1.00 25.00 H new ATOM 0 HB1 ALA A 113 1.394 32.616 5.844 1.00 25.00 H new ATOM 0 HB2 ALA A 113 0.752 32.175 7.444 1.00 25.00 H new ATOM 0 HB3 ALA A 113 2.471 31.905 7.069 1.00 25.00 H new ATOM 1719 N ASP A 114 2.965 29.147 5.333 1.00 25.00 N ATOM 1720 CA ASP A 114 3.917 28.704 4.325 1.00 25.00 C ATOM 1721 C ASP A 114 3.301 27.725 3.311 1.00 25.00 C ATOM 1722 O ASP A 114 4.002 27.279 2.422 1.00 25.00 O ATOM 1723 CB ASP A 114 5.110 28.010 5.047 1.00 25.00 C ATOM 1724 CG ASP A 114 4.776 26.628 5.617 1.00 25.00 C ATOM 1725 OD1 ASP A 114 5.532 25.690 5.402 1.00 25.00 O ATOM 1726 OD2 ASP A 114 3.851 26.512 6.415 1.00 25.00 O1- ATOM 0 H ASP A 114 3.052 28.700 6.246 1.00 25.00 H new ATOM 0 HA ASP A 114 4.242 29.581 3.765 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.938 27.912 4.345 1.00 25.00 H new ATOM 0 HB3 ASP A 114 5.454 28.652 5.858 1.00 25.00 H new ATOM 1731 N PHE A 115 2.036 27.484 3.389 1.00 25.00 N ATOM 1732 CA PHE A 115 1.281 26.710 2.342 1.00 25.00 C ATOM 1733 C PHE A 115 -0.084 27.315 2.030 1.00 25.00 C ATOM 1734 O PHE A 115 -0.662 28.082 2.830 1.00 25.00 O ATOM 1735 CB PHE A 115 1.284 25.250 2.690 1.00 25.00 C ATOM 1736 CG PHE A 115 0.368 24.908 3.811 1.00 25.00 C ATOM 1737 CD1 PHE A 115 0.819 25.026 5.146 1.00 50.00 C ATOM 1738 CD2 PHE A 115 -0.908 24.394 3.579 1.00 50.00 C ATOM 1739 CE1 PHE A 115 -0.047 24.592 6.220 1.00 25.00 C ATOM 1740 CE2 PHE A 115 -1.756 23.977 4.592 1.00 25.00 C ATOM 1741 CZ PHE A 115 -1.282 23.993 5.929 1.00 25.00 C ATOM 0 H PHE A 115 1.454 27.800 4.165 1.00 25.00 H new ATOM 0 HA PHE A 115 1.798 26.792 1.386 1.00 25.00 H new ATOM 0 HB2 PHE A 115 1.000 24.674 1.810 1.00 25.00 H new ATOM 0 HB3 PHE A 115 2.298 24.949 2.954 1.00 25.00 H new ATOM 0 HD1 PHE A 115 1.796 25.434 5.360 1.00 50.00 H new ATOM 0 HD2 PHE A 115 -1.252 24.317 2.558 1.00 50.00 H new ATOM 0 HE1 PHE A 115 0.257 24.729 7.247 1.00 25.00 H new ATOM 0 HE2 PHE A 115 -2.759 23.646 4.368 1.00 25.00 H new ATOM 0 HZ PHE A 115 -1.868 23.547 6.718 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.655 26.800 0.911 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.067 26.877 0.625 1.00 25.00 C ATOM 1753 C GLU A 116 -2.654 25.504 0.550 1.00 25.00 C ATOM 1754 O GLU A 116 -1.917 24.603 0.094 1.00 25.00 O ATOM 1755 CB GLU A 116 -2.450 27.558 -0.700 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.125 29.085 -0.774 1.00 25.00 C ATOM 1757 CD GLU A 116 -3.035 29.912 0.114 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -4.259 29.771 0.116 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -2.488 30.721 0.908 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.120 26.318 0.188 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.454 27.484 1.444 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.932 27.052 -1.515 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -3.518 27.420 -0.867 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -1.088 29.248 -0.480 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -2.221 29.425 -1.805 1.00 25.00 H new ATOM 1766 N LEU A 117 -3.867 25.293 1.044 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.711 24.150 0.621 1.00 25.00 C ATOM 1768 C LEU A 117 -5.069 24.431 -0.847 1.00 25.00 C ATOM 1769 O LEU A 117 -5.572 25.490 -1.227 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.099 24.131 1.336 1.00 25.00 C ATOM 1771 CG LEU A 117 -7.190 23.076 1.047 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.590 21.646 1.364 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.450 23.303 1.912 1.00 50.00 C ATOM 0 H LEU A 117 -4.303 25.895 1.743 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.169 23.227 0.829 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.893 24.076 2.405 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.554 25.103 1.149 1.00 25.00 H new ATOM 0 HG LEU A 117 -7.488 23.157 0.002 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -7.344 20.883 1.167 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.720 21.468 0.732 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -6.293 21.600 2.412 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -9.193 22.541 1.679 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -8.183 23.239 2.967 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.863 24.289 1.701 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.882 23.388 -1.639 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.492 23.354 -2.997 1.00 25.00 C ATOM 1787 C ILE A 118 -6.607 22.378 -3.271 1.00 25.00 C ATOM 1788 O ILE A 118 -7.436 22.518 -4.151 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.371 23.275 -4.147 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.876 23.956 -5.445 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.909 21.793 -4.400 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -3.838 24.561 -6.440 1.00 25.00 C ATOM 0 H ILE A 118 -4.332 22.565 -1.393 1.00 25.00 H new ATOM 0 HA ILE A 118 -6.013 24.311 -3.018 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.492 23.822 -3.806 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.466 23.221 -5.993 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.555 24.757 -5.153 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -3.151 21.777 -5.183 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.491 21.380 -3.482 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.764 21.193 -4.711 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -4.361 24.996 -7.291 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -3.259 25.334 -5.936 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -3.168 23.775 -6.789 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.757 21.428 -2.364 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.988 20.651 -2.380 1.00 25.00 C ATOM 1806 C GLY A 119 -7.962 19.516 -1.397 1.00 25.00 C ATOM 1807 O GLY A 119 -6.864 19.221 -0.978 1.00 25.00 O ATOM 0 H GLY A 119 -6.081 21.182 -1.641 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.830 21.305 -2.153 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.152 20.256 -3.383 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.094 18.911 -1.098 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.113 17.692 -0.374 1.00 25.00 C ATOM 1813 C ALA A 120 -10.396 16.929 -0.745 1.00 25.00 C ATOM 1814 O ALA A 120 -11.457 17.519 -0.888 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.081 18.000 1.096 1.00 25.00 C ATOM 0 H ALA A 120 -10.015 19.263 -1.357 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.248 17.076 -0.619 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.095 17.069 1.663 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.173 18.555 1.332 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -9.952 18.600 1.361 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.311 15.623 -0.832 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.362 14.729 -1.358 1.00 25.00 C ATOM 1823 C VAL A 121 -11.719 13.607 -0.356 1.00 25.00 C ATOM 1824 O VAL A 121 -10.941 12.678 -0.126 1.00 25.00 O ATOM 1825 CB VAL A 121 -11.013 14.255 -2.761 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -9.465 14.215 -3.038 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -11.733 12.966 -3.207 1.00 50.00 C ATOM 0 H VAL A 121 -9.480 15.115 -0.530 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.289 15.293 -1.465 1.00 25.00 H new ATOM 0 HB VAL A 121 -11.420 15.033 -3.407 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -9.286 13.868 -4.056 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -9.048 15.215 -2.917 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -8.987 13.534 -2.334 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -11.421 12.707 -4.219 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.476 12.153 -2.528 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -12.811 13.127 -3.190 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.839 13.757 0.378 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.099 12.715 1.349 1.00 25.00 C ATOM 1839 C PRO A 122 -13.837 11.522 0.776 1.00 25.00 C ATOM 1840 O PRO A 122 -14.237 11.446 -0.391 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.017 13.439 2.369 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.779 14.379 1.644 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.910 14.760 0.461 1.00 25.00 C ATOM 0 HA PRO A 122 -12.173 12.304 1.752 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.666 12.726 2.877 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.424 13.934 3.138 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.726 13.951 1.316 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.017 15.249 2.255 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.495 14.777 -0.458 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.494 15.759 0.593 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.897 10.483 1.616 1.00 25.00 N ATOM 1852 CA HIS A 123 -14.788 9.305 1.399 1.00 25.00 C ATOM 1853 C HIS A 123 -16.081 9.504 2.233 1.00 25.00 C ATOM 1854 O HIS A 123 -16.054 9.087 3.331 1.00 25.00 O ATOM 1855 CB HIS A 123 -14.084 8.028 1.815 1.00 25.00 C ATOM 1856 CG HIS A 123 -14.707 6.804 1.253 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -15.892 6.246 1.728 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -14.280 5.925 0.322 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -16.151 5.138 1.025 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -15.239 4.958 0.135 1.00 25.00 N ATOM 0 H HIS A 123 -13.337 10.421 2.466 1.00 25.00 H new ATOM 0 HA HIS A 123 -15.039 9.222 0.342 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -13.042 8.076 1.497 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -14.083 7.960 2.903 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -13.333 5.974 -0.195 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -17.001 4.490 1.181 1.00 25.00 H new ATOM 0 HE2 HIS A 123 -15.229 4.230 -0.579 1.00 25.00 H new ATOM 1868 N ASP A 124 -17.022 10.315 1.791 1.00 25.00 N ATOM 1869 CA ASP A 124 -18.034 10.924 2.633 1.00 25.00 C ATOM 1870 C ASP A 124 -19.397 11.035 1.865 1.00 25.00 C ATOM 1871 O ASP A 124 -20.075 12.033 1.863 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.592 12.361 3.001 1.00 25.00 C ATOM 1873 CG ASP A 124 -18.598 13.070 3.911 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -18.848 14.268 3.799 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -19.129 12.350 4.782 1.00 50.00 O1- ATOM 0 H ASP A 124 -17.106 10.576 0.809 1.00 25.00 H new ATOM 0 HA ASP A 124 -18.156 10.305 3.522 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -16.622 12.323 3.497 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -17.461 12.942 2.088 1.00 25.00 H new ATOM 1880 N GLY A 125 -19.665 9.986 1.062 1.00 25.00 N ATOM 1881 CA GLY A 125 -20.871 9.965 0.200 1.00 25.00 C ATOM 1882 C GLY A 125 -20.569 10.721 -1.086 1.00 25.00 C ATOM 1883 O GLY A 125 -21.415 11.469 -1.651 1.00 25.00 O ATOM 0 H GLY A 125 -19.077 9.155 0.990 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -21.156 8.937 -0.025 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -21.713 10.424 0.718 1.00 25.00 H new ATOM 1887 N SER A 126 -19.353 10.600 -1.523 1.00 25.00 N ATOM 1888 CA SER A 126 -18.794 11.648 -2.352 1.00 25.00 C ATOM 1889 C SER A 126 -19.266 11.726 -3.819 1.00 25.00 C ATOM 1890 O SER A 126 -19.444 10.640 -4.439 1.00 25.00 O ATOM 1891 CB SER A 126 -17.286 11.587 -2.207 1.00 25.00 C ATOM 1892 OG SER A 126 -16.947 11.553 -0.837 1.00 25.00 O ATOM 0 H SER A 126 -18.734 9.812 -1.332 1.00 25.00 H new ATOM 0 HA SER A 126 -19.194 12.591 -1.978 1.00 25.00 H new ATOM 0 HB2 SER A 126 -16.897 10.702 -2.711 1.00 25.00 H new ATOM 0 HB3 SER A 126 -16.828 12.453 -2.685 1.00 25.00 H new ATOM 0 HG SER A 126 -16.401 12.336 -0.616 1.00 25.00 H new ATOM 1898 N PRO A 127 -19.362 12.929 -4.435 1.00 25.00 N ATOM 1899 CA PRO A 127 -19.602 12.883 -5.856 1.00 25.00 C ATOM 1900 C PRO A 127 -18.339 12.422 -6.563 1.00 25.00 C ATOM 1901 O PRO A 127 -17.375 12.076 -5.881 1.00 25.00 O ATOM 1902 CB PRO A 127 -19.857 14.363 -6.163 1.00 25.00 C ATOM 1903 CG PRO A 127 -19.067 15.147 -5.147 1.00 25.00 C ATOM 1904 CD PRO A 127 -19.201 14.307 -3.922 1.00 25.00 C ATOM 0 HA PRO A 127 -20.405 12.213 -6.165 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -19.541 14.610 -7.176 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -20.919 14.597 -6.095 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -18.026 15.267 -5.446 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -19.473 16.148 -5.000 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -18.322 14.393 -3.284 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -20.060 14.611 -3.324 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.391 12.264 -7.900 1.00 25.00 N ATOM 1913 CA ALA A 128 -17.343 11.579 -8.685 1.00 25.00 C ATOM 1914 C ALA A 128 -15.986 12.289 -8.798 1.00 25.00 C ATOM 1915 O ALA A 128 -15.028 11.765 -9.373 1.00 25.00 O ATOM 1916 CB ALA A 128 -17.902 11.306 -10.089 1.00 25.00 C ATOM 0 H ALA A 128 -19.164 12.609 -8.469 1.00 25.00 H new ATOM 0 HA ALA A 128 -17.113 10.670 -8.130 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -17.146 10.800 -10.690 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -18.787 10.674 -10.012 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.170 12.250 -10.564 1.00 25.00 H new ATOM 1922 N SER A 129 -15.881 13.382 -8.062 1.00 25.00 N ATOM 1923 CA SER A 129 -14.592 14.002 -7.739 1.00 25.00 C ATOM 1924 C SER A 129 -13.803 13.074 -6.798 1.00 25.00 C ATOM 1925 O SER A 129 -12.653 13.266 -6.606 1.00 25.00 O ATOM 1926 CB SER A 129 -14.863 15.376 -7.151 1.00 25.00 C ATOM 1927 OG SER A 129 -15.603 15.191 -5.956 1.00 25.00 O ATOM 0 H SER A 129 -16.684 13.871 -7.667 1.00 25.00 H new ATOM 0 HA SER A 129 -13.972 14.140 -8.625 1.00 25.00 H new ATOM 0 HB2 SER A 129 -13.927 15.896 -6.946 1.00 25.00 H new ATOM 0 HB3 SER A 129 -15.422 15.991 -7.856 1.00 25.00 H new ATOM 0 HG SER A 129 -15.793 16.063 -5.550 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.392 11.978 -6.370 1.00 25.00 N ATOM 1934 CA ARG A 130 -13.667 10.873 -5.690 1.00 25.00 C ATOM 1935 C ARG A 130 -12.761 10.106 -6.577 1.00 25.00 C ATOM 1936 O ARG A 130 -11.896 9.322 -6.122 1.00 25.00 O ATOM 1937 CB ARG A 130 -14.646 9.850 -5.061 1.00 25.00 C ATOM 1938 CG ARG A 130 -14.095 9.161 -3.792 1.00 25.00 C ATOM 1939 CD ARG A 130 -15.130 8.236 -3.135 1.00 25.00 C ATOM 1940 NE ARG A 130 -15.661 7.145 -3.914 1.00 25.00 N ATOM 1941 CZ ARG A 130 -15.175 5.894 -4.003 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -15.843 5.000 -4.666 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -13.961 5.604 -3.460 1.00 25.00 N ATOM 0 H ARG A 130 -15.392 11.807 -6.474 1.00 25.00 H new ATOM 0 HA ARG A 130 -13.073 11.381 -4.930 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.578 10.358 -4.812 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -14.886 9.088 -5.802 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -13.208 8.584 -4.051 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -13.783 9.921 -3.075 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -14.678 7.815 -2.237 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -15.968 8.852 -2.810 1.00 25.00 H new ATOM 0 HE ARG A 130 -16.500 7.344 -4.459 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -16.726 5.250 -5.112 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -15.485 4.048 -4.741 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -13.426 6.333 -2.989 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -13.587 4.657 -3.524 1.00 25.00 H new ATOM 1957 N ASN A 131 -12.958 10.260 -7.885 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.122 9.627 -8.888 1.00 25.00 C ATOM 1959 C ASN A 131 -10.622 9.964 -8.579 1.00 25.00 C ATOM 1960 O ASN A 131 -10.276 11.057 -8.256 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.497 10.078 -10.311 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.659 9.257 -10.867 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.947 8.186 -10.298 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -14.182 9.601 -11.972 1.00 25.00 N ATOM 0 H ASN A 131 -13.708 10.832 -8.275 1.00 25.00 H new ATOM 0 HA ASN A 131 -12.278 8.549 -8.847 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.768 11.134 -10.300 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.632 9.977 -10.966 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.864 8.992 -12.425 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.920 10.486 -12.407 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.806 8.897 -8.632 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.460 8.820 -8.020 1.00 25.00 C ATOM 1973 C LEU A 132 -7.446 9.711 -8.769 1.00 25.00 C ATOM 1974 O LEU A 132 -6.336 9.899 -8.392 1.00 25.00 O ATOM 1975 CB LEU A 132 -8.022 7.370 -8.015 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.833 6.770 -7.207 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.856 7.246 -5.722 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.710 5.263 -7.327 1.00 75.00 C ATOM 0 H LEU A 132 -10.068 8.038 -9.115 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.502 9.195 -6.997 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.900 6.800 -7.712 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.824 7.120 -9.057 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.927 7.164 -7.668 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -6.013 6.809 -5.187 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.784 8.333 -5.687 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.787 6.929 -5.253 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -5.860 4.919 -6.737 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -7.622 4.793 -6.958 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.560 4.992 -8.372 1.00 75.00 H new ATOM 1990 N SER A 133 -7.807 10.196 -9.977 1.00 25.00 N ATOM 1991 CA SER A 133 -7.131 11.311 -10.669 1.00 25.00 C ATOM 1992 C SER A 133 -7.891 12.622 -10.439 1.00 25.00 C ATOM 1993 O SER A 133 -9.121 12.685 -10.483 1.00 25.00 O ATOM 1994 CB SER A 133 -7.080 10.995 -12.193 1.00 25.00 C ATOM 1995 OG SER A 133 -6.304 11.947 -12.936 1.00 25.00 O ATOM 0 H SER A 133 -8.591 9.815 -10.507 1.00 25.00 H new ATOM 0 HA SER A 133 -6.121 11.424 -10.275 1.00 25.00 H new ATOM 0 HB2 SER A 133 -6.661 10.000 -12.338 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.095 10.974 -12.589 1.00 25.00 H new ATOM 0 HG SER A 133 -5.366 11.662 -12.953 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.158 13.734 -10.261 1.00 25.00 N ATOM 2002 CA HIS A 134 -7.703 15.109 -10.118 1.00 25.00 C ATOM 2003 C HIS A 134 -6.844 15.929 -11.070 1.00 25.00 C ATOM 2004 O HIS A 134 -5.798 15.588 -11.442 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.478 15.656 -8.679 1.00 25.00 C ATOM 2006 CG HIS A 134 -8.490 15.133 -7.716 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -9.070 15.936 -6.698 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -9.117 13.935 -7.671 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -10.032 15.183 -6.146 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -10.106 14.024 -6.765 1.00 25.00 N ATOM 0 H HIS A 134 -6.140 13.708 -10.210 1.00 25.00 H new ATOM 0 HA HIS A 134 -8.774 15.144 -10.320 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -6.479 15.382 -8.339 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -7.522 16.745 -8.695 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -8.868 13.063 -8.258 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -10.654 15.483 -5.316 1.00 25.00 H new ATOM 0 HE2 HIS A 134 -10.806 13.304 -6.585 1.00 25.00 H new ATOM 2018 N HIS A 135 -7.403 17.054 -11.485 1.00 25.00 N ATOM 2019 CA HIS A 135 -6.689 17.944 -12.427 1.00 25.00 C ATOM 2020 C HIS A 135 -6.620 19.230 -11.611 1.00 25.00 C ATOM 2021 O HIS A 135 -7.510 19.537 -10.839 1.00 25.00 O ATOM 2022 CB HIS A 135 -7.478 18.100 -13.705 1.00 25.00 C ATOM 2023 CG HIS A 135 -7.644 16.835 -14.516 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -6.830 16.490 -15.655 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -8.514 15.809 -14.411 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -7.214 15.298 -16.082 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -8.216 14.885 -15.326 1.00 25.00 N ATOM 0 H HIS A 135 -8.327 17.380 -11.201 1.00 25.00 H new ATOM 0 HA HIS A 135 -5.712 17.592 -12.758 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -8.467 18.487 -13.458 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -6.988 18.850 -14.327 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -9.324 15.746 -13.699 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -6.781 14.754 -16.909 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -8.693 13.989 -15.427 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.544 19.975 -11.845 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.283 21.226 -11.151 1.00 25.00 C ATOM 2037 C ILE A 136 -4.973 22.248 -12.277 1.00 25.00 C ATOM 2038 O ILE A 136 -4.097 21.994 -13.116 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.044 21.257 -10.136 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.216 20.170 -9.014 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -3.741 22.733 -9.659 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -5.434 20.251 -8.143 1.00 25.00 C ATOM 0 H ILE A 136 -4.827 19.724 -12.525 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.154 21.426 -10.527 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.126 20.961 -10.644 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -4.211 19.191 -9.493 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -3.339 20.213 -8.368 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -2.896 22.727 -8.971 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.501 23.353 -10.523 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -4.617 23.139 -9.154 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -5.417 19.438 -7.417 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -5.443 21.206 -7.618 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -6.329 20.168 -8.760 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.676 23.366 -12.317 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.309 24.474 -13.225 1.00 25.00 C ATOM 2056 C TYR A 137 -4.142 25.292 -12.613 1.00 25.00 C ATOM 2057 O TYR A 137 -4.161 25.638 -11.438 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.455 25.408 -13.547 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.032 26.478 -14.560 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -5.738 27.765 -14.157 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -5.930 26.159 -15.947 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -5.102 28.671 -15.036 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.231 27.002 -16.815 1.00 25.00 C ATOM 2064 CZ TYR A 137 -4.816 28.252 -16.340 1.00 25.00 C ATOM 2065 OH TYR A 137 -4.141 29.191 -17.082 1.00 25.00 O ATOM 0 H TYR A 137 -6.500 23.544 -11.742 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.010 24.008 -14.164 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.292 24.836 -13.947 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -6.804 25.887 -12.633 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -5.997 28.084 -13.158 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.395 25.262 -16.328 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -4.842 29.667 -14.708 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.016 26.697 -17.828 1.00 25.00 H new ATOM 0 HH TYR A 137 -3.971 28.838 -17.980 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.231 25.594 -13.500 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.009 26.345 -13.173 1.00 25.00 C ATOM 2077 C ILE A 138 -1.894 27.573 -14.109 1.00 25.00 C ATOM 2078 O ILE A 138 -1.742 27.445 -15.328 1.00 25.00 O ATOM 2079 CB ILE A 138 -0.700 25.464 -13.331 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.677 24.121 -12.569 1.00 25.00 C ATOM 2081 CG2 ILE A 138 0.603 26.210 -12.931 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.835 24.121 -11.039 1.00 25.00 C ATOM 0 H ILE A 138 -3.300 25.331 -14.483 1.00 25.00 H new ATOM 0 HA ILE A 138 -2.087 26.652 -12.130 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.735 25.255 -14.400 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.471 23.497 -12.980 1.00 25.00 H new ATOM 0 HG13 ILE A 138 0.268 23.629 -12.801 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.458 25.547 -13.064 1.00 25.00 H new ATOM 0 HG22 ILE A 138 0.726 27.091 -13.561 1.00 25.00 H new ATOM 0 HG23 ILE A 138 0.541 26.516 -11.887 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.796 23.096 -10.669 1.00 25.00 H new ATOM 0 HD12 ILE A 138 -0.028 24.700 -10.590 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -1.793 24.566 -10.772 1.00 25.00 H new ATOM 2094 N PRO A 139 -1.871 28.820 -13.568 1.00 25.00 N ATOM 2095 CA PRO A 139 -1.575 29.859 -14.535 1.00 25.00 C ATOM 2096 C PRO A 139 -0.091 29.983 -14.938 1.00 25.00 C ATOM 2097 O PRO A 139 0.803 29.598 -14.194 1.00 25.00 O ATOM 2098 CB PRO A 139 -2.025 31.137 -13.823 1.00 25.00 C ATOM 2099 CG PRO A 139 -1.844 30.771 -12.383 1.00 25.00 C ATOM 2100 CD PRO A 139 -2.226 29.370 -12.263 1.00 25.00 C ATOM 0 HA PRO A 139 -2.077 29.644 -15.478 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -1.417 31.997 -14.105 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -3.060 31.389 -14.053 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -0.810 30.920 -12.072 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -2.463 31.399 -11.742 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -1.688 28.873 -11.456 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -3.290 29.258 -12.054 1.00 25.00 H new ATOM 2108 N GLU A 140 0.175 30.599 -16.072 1.00 25.00 N ATOM 2109 CA GLU A 140 1.526 30.852 -16.547 1.00 25.00 C ATOM 2110 C GLU A 140 1.910 32.346 -16.352 1.00 25.00 C ATOM 2111 O GLU A 140 2.363 33.043 -17.258 1.00 25.00 O ATOM 2112 CB GLU A 140 1.505 30.374 -18.005 1.00 25.00 C ATOM 2113 CG GLU A 140 2.870 30.038 -18.582 1.00 25.00 C ATOM 2114 CD GLU A 140 2.832 29.302 -19.905 1.00 25.00 C ATOM 2115 OE1 GLU A 140 3.236 29.832 -20.971 1.00 25.00 O ATOM 2116 OE2 GLU A 140 2.395 28.111 -19.892 1.00 25.00 O1- ATOM 0 H GLU A 140 -0.550 30.944 -16.701 1.00 25.00 H new ATOM 0 HA GLU A 140 2.301 30.323 -15.992 1.00 25.00 H new ATOM 0 HB2 GLU A 140 0.869 29.492 -18.075 1.00 25.00 H new ATOM 0 HB3 GLU A 140 1.046 31.148 -18.620 1.00 25.00 H new ATOM 0 HG2 GLU A 140 3.433 30.963 -18.712 1.00 25.00 H new ATOM 0 HG3 GLU A 140 3.416 29.431 -17.859 1.00 25.00 H new ATOM 2123 N ASP A 141 1.520 32.792 -15.146 1.00 25.00 N ATOM 2124 CA ASP A 141 1.797 34.153 -14.741 1.00 25.00 C ATOM 2125 C ASP A 141 3.268 34.490 -14.653 1.00 25.00 C ATOM 2126 O ASP A 141 3.693 35.555 -15.081 1.00 25.00 O ATOM 2127 CB ASP A 141 1.114 34.470 -13.393 1.00 25.00 C ATOM 2128 CG ASP A 141 1.707 33.749 -12.145 1.00 25.00 C ATOM 2129 OD1 ASP A 141 1.824 32.425 -12.225 1.00 50.00 O ATOM 2130 OD2 ASP A 141 2.137 34.419 -11.166 1.00 50.00 O1- ATOM 0 H ASP A 141 1.022 32.231 -14.455 1.00 25.00 H new ATOM 0 HA ASP A 141 1.384 34.777 -15.534 1.00 25.00 H new ATOM 0 HB2 ASP A 141 1.165 35.546 -13.226 1.00 25.00 H new ATOM 0 HB3 ASP A 141 0.059 34.209 -13.472 1.00 25.00 H new ATOM 2135 N ARG A 142 4.080 33.580 -14.093 1.00 25.00 N ATOM 2136 CA ARG A 142 5.538 33.704 -13.938 1.00 25.00 C ATOM 2137 C ARG A 142 6.155 32.316 -13.995 1.00 25.00 C ATOM 2138 O ARG A 142 5.526 31.368 -13.519 1.00 25.00 O ATOM 2139 CB ARG A 142 5.755 34.264 -12.510 1.00 25.00 C ATOM 2140 CG ARG A 142 5.326 35.573 -12.123 1.00 25.00 C ATOM 2141 CD ARG A 142 5.610 35.940 -10.647 1.00 25.00 C ATOM 2142 NE ARG A 142 4.794 35.132 -9.683 1.00 25.00 N ATOM 2143 CZ ARG A 142 5.038 35.016 -8.395 1.00 25.00 C ATOM 2144 NH1 ARG A 142 4.343 34.159 -7.678 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 6.020 35.700 -7.779 1.00 25.00 N ATOM 0 H ARG A 142 3.723 32.700 -13.720 1.00 25.00 H new ATOM 0 HA ARG A 142 5.979 34.334 -14.710 1.00 25.00 H new ATOM 0 HB2 ARG A 142 5.277 33.564 -11.825 1.00 25.00 H new ATOM 0 HB3 ARG A 142 6.827 34.217 -12.317 1.00 25.00 H new ATOM 0 HG2 ARG A 142 5.816 36.305 -12.765 1.00 25.00 H new ATOM 0 HG3 ARG A 142 4.254 35.657 -12.304 1.00 25.00 H new ATOM 0 HD2 ARG A 142 6.669 35.789 -10.436 1.00 25.00 H new ATOM 0 HD3 ARG A 142 5.403 36.999 -10.494 1.00 25.00 H new ATOM 0 HE ARG A 142 3.986 34.633 -10.055 1.00 25.00 H new ATOM 0 HH11 ARG A 142 3.621 33.591 -8.121 1.00 25.00 H new ATOM 0 HH12 ARG A 142 4.526 34.063 -6.679 1.00 25.00 H new ATOM 0 HH21 ARG A 142 6.609 36.338 -8.313 1.00 25.00 H new ATOM 0 HH22 ARG A 142 6.175 35.580 -6.778 1.00 25.00 H new ATOM 2159 N LEU A 143 7.400 32.269 -14.394 1.00 25.00 N ATOM 2160 CA LEU A 143 8.193 31.021 -14.350 1.00 25.00 C ATOM 2161 C LEU A 143 8.586 30.802 -12.907 1.00 25.00 C ATOM 2162 O LEU A 143 8.674 31.800 -12.164 1.00 25.00 O ATOM 2163 CB LEU A 143 9.464 31.033 -15.223 1.00 25.00 C ATOM 2164 CG LEU A 143 10.804 31.656 -14.813 1.00 25.00 C ATOM 2165 CD1 LEU A 143 11.893 31.157 -15.697 1.00 50.00 C ATOM 2166 CD2 LEU A 143 10.776 33.213 -14.839 1.00 50.00 C ATOM 0 H LEU A 143 7.908 33.075 -14.759 1.00 25.00 H new ATOM 0 HA LEU A 143 7.573 30.222 -14.756 1.00 25.00 H new ATOM 0 HB2 LEU A 143 9.677 29.990 -15.457 1.00 25.00 H new ATOM 0 HB3 LEU A 143 9.181 31.518 -16.158 1.00 25.00 H new ATOM 0 HG LEU A 143 10.992 31.353 -13.783 1.00 25.00 H new ATOM 0 HD11 LEU A 143 12.840 31.606 -15.397 1.00 50.00 H new ATOM 0 HD12 LEU A 143 11.962 30.073 -15.612 1.00 50.00 H new ATOM 0 HD13 LEU A 143 11.675 31.427 -16.730 1.00 50.00 H new ATOM 0 HD21 LEU A 143 11.750 33.599 -14.540 1.00 50.00 H new ATOM 0 HD22 LEU A 143 10.543 33.556 -15.847 1.00 50.00 H new ATOM 0 HD23 LEU A 143 10.015 33.575 -14.148 1.00 50.00 H new ATOM 2178 N GLY A 144 8.837 29.509 -12.553 1.00 25.00 N ATOM 2179 CA GLY A 144 9.462 29.155 -11.277 1.00 25.00 C ATOM 2180 C GLY A 144 8.816 28.033 -10.435 1.00 25.00 C ATOM 2181 O GLY A 144 7.839 27.408 -10.790 1.00 25.00 O ATOM 0 H GLY A 144 8.611 28.708 -13.143 1.00 25.00 H new ATOM 0 HA2 GLY A 144 10.494 28.867 -11.480 1.00 25.00 H new ATOM 0 HA3 GLY A 144 9.497 30.055 -10.662 1.00 25.00 H new ATOM 2185 N TYR A 145 9.561 27.616 -9.451 1.00 25.00 N ATOM 2186 CA TYR A 145 9.227 26.391 -8.795 1.00 25.00 C ATOM 2187 C TYR A 145 7.997 26.384 -7.885 1.00 25.00 C ATOM 2188 O TYR A 145 7.622 27.379 -7.296 1.00 25.00 O ATOM 2189 CB TYR A 145 10.439 25.835 -8.087 1.00 25.00 C ATOM 2190 CG TYR A 145 10.629 26.121 -6.632 1.00 25.00 C ATOM 2191 CD1 TYR A 145 11.038 27.406 -6.228 1.00 50.00 C ATOM 2192 CD2 TYR A 145 10.359 25.158 -5.633 1.00 50.00 C ATOM 2193 CE1 TYR A 145 11.073 27.741 -4.860 1.00 25.00 C ATOM 2194 CE2 TYR A 145 10.543 25.443 -4.304 1.00 25.00 C ATOM 2195 CZ TYR A 145 10.983 26.721 -3.918 1.00 25.00 C ATOM 2196 OH TYR A 145 11.175 27.008 -2.573 1.00 25.00 O ATOM 0 H TYR A 145 10.386 28.097 -9.093 1.00 25.00 H new ATOM 0 HA TYR A 145 8.914 25.738 -9.610 1.00 25.00 H new ATOM 0 HB2 TYR A 145 10.422 24.752 -8.209 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.322 26.201 -8.611 1.00 25.00 H new ATOM 0 HD1 TYR A 145 11.326 28.137 -6.969 1.00 50.00 H new ATOM 0 HD2 TYR A 145 10.001 24.181 -5.921 1.00 50.00 H new ATOM 0 HE1 TYR A 145 11.168 28.771 -4.548 1.00 25.00 H new ATOM 0 HE2 TYR A 145 10.350 24.688 -3.556 1.00 25.00 H new ATOM 0 HH TYR A 145 11.077 26.187 -2.046 1.00 25.00 H new ATOM 2206 N HIS A 146 7.377 25.217 -7.719 1.00 25.00 N ATOM 2207 CA HIS A 146 6.474 24.965 -6.583 1.00 25.00 C ATOM 2208 C HIS A 146 6.698 23.542 -6.061 1.00 25.00 C ATOM 2209 O HIS A 146 6.844 22.609 -6.878 1.00 25.00 O ATOM 2210 CB HIS A 146 5.041 25.090 -7.049 1.00 25.00 C ATOM 2211 CG HIS A 146 4.350 26.315 -6.542 1.00 25.00 C ATOM 2212 ND1 HIS A 146 4.386 27.556 -7.240 1.00 25.00 N ATOM 2213 CD2 HIS A 146 3.534 26.489 -5.490 1.00 25.00 C ATOM 2214 CE1 HIS A 146 3.494 28.382 -6.659 1.00 25.00 C ATOM 2215 NE2 HIS A 146 3.056 27.803 -5.545 1.00 25.00 N ATOM 0 H HIS A 146 7.480 24.426 -8.355 1.00 25.00 H new ATOM 0 HA HIS A 146 6.676 25.688 -5.792 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.022 25.097 -8.139 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.485 24.210 -6.726 1.00 25.00 H new ATOM 0 HD2 HIS A 146 3.291 25.751 -4.740 1.00 25.00 H new ATOM 0 HE1 HIS A 146 3.188 29.348 -7.033 1.00 25.00 H new ATOM 0 HE2 HIS A 146 2.465 28.247 -4.842 1.00 25.00 H new ATOM 2223 N VAL A 147 6.538 23.346 -4.759 1.00 25.00 N ATOM 2224 CA VAL A 147 6.546 21.979 -4.223 1.00 25.00 C ATOM 2225 C VAL A 147 5.085 21.684 -3.961 1.00 25.00 C ATOM 2226 O VAL A 147 4.431 22.539 -3.415 1.00 25.00 O ATOM 2227 CB VAL A 147 7.495 21.804 -3.064 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.535 20.305 -2.599 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.929 22.167 -3.394 1.00 50.00 C ATOM 0 H VAL A 147 6.405 24.085 -4.069 1.00 25.00 H new ATOM 0 HA VAL A 147 6.954 21.239 -4.911 1.00 25.00 H new ATOM 0 HB VAL A 147 7.113 22.473 -2.293 1.00 25.00 H new ATOM 0 HG11 VAL A 147 8.226 20.202 -1.762 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.538 19.994 -2.287 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.869 19.677 -3.425 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.554 22.017 -2.514 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.287 21.534 -4.206 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.979 23.212 -3.700 1.00 50.00 H new ATOM 2239 N ILE A 148 4.614 20.530 -4.363 1.00 25.00 N ATOM 2240 CA ILE A 148 3.228 20.144 -4.146 1.00 25.00 C ATOM 2241 C ILE A 148 3.303 19.116 -2.990 1.00 25.00 C ATOM 2242 O ILE A 148 4.232 18.300 -2.977 1.00 25.00 O ATOM 2243 CB ILE A 148 2.584 19.530 -5.441 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.826 20.498 -6.595 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.186 19.116 -5.198 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.443 19.925 -7.949 1.00 25.00 C ATOM 0 H ILE A 148 5.173 19.828 -4.849 1.00 25.00 H new ATOM 0 HA ILE A 148 2.591 20.994 -3.902 1.00 25.00 H new ATOM 0 HB ILE A 148 3.058 18.593 -5.733 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.257 21.411 -6.420 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.879 20.778 -6.611 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.767 18.695 -6.112 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.161 18.365 -4.408 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.598 19.982 -4.894 1.00 25.00 H new ATOM 0 HD11 ILE A 148 2.640 20.664 -8.726 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.031 19.028 -8.144 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.383 19.671 -7.950 1.00 25.00 H new ATOM 2258 N LEU A 149 2.424 19.120 -1.987 1.00 25.00 N ATOM 2259 CA LEU A 149 2.454 18.183 -0.857 1.00 25.00 C ATOM 2260 C LEU A 149 1.057 17.487 -0.883 1.00 25.00 C ATOM 2261 O LEU A 149 0.076 18.071 -1.198 1.00 25.00 O ATOM 2262 CB LEU A 149 2.648 18.994 0.443 1.00 25.00 C ATOM 2263 CG LEU A 149 3.856 19.950 0.518 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.765 20.678 1.833 1.00 50.00 C ATOM 2265 CD2 LEU A 149 5.286 19.315 0.412 1.00 50.00 C ATOM 0 H LEU A 149 1.654 19.787 -1.934 1.00 25.00 H new ATOM 0 HA LEU A 149 3.260 17.451 -0.914 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.745 19.581 0.610 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.727 18.288 1.270 1.00 25.00 H new ATOM 0 HG LEU A 149 3.776 20.582 -0.366 1.00 25.00 H new ATOM 0 HD11 LEU A 149 4.604 21.367 1.926 1.00 50.00 H new ATOM 0 HD12 LEU A 149 2.830 21.237 1.876 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.795 19.958 2.650 1.00 50.00 H new ATOM 0 HD21 LEU A 149 6.039 20.100 0.480 1.00 50.00 H new ATOM 0 HD22 LEU A 149 5.430 18.604 1.225 1.00 50.00 H new ATOM 0 HD23 LEU A 149 5.385 18.799 -0.543 1.00 50.00 H new ATOM 2277 N ALA A 150 1.036 16.202 -0.502 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.172 15.430 -0.454 1.00 25.00 C ATOM 2279 C ALA A 150 -0.135 14.447 0.740 1.00 25.00 C ATOM 2280 O ALA A 150 0.962 14.236 1.289 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.484 14.732 -1.865 1.00 25.00 C ATOM 0 H ALA A 150 1.869 15.685 -0.221 1.00 25.00 H new ATOM 0 HA ALA A 150 -1.015 16.098 -0.277 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.406 14.156 -1.790 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.596 15.498 -2.633 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.338 14.068 -2.132 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.324 14.072 1.151 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.465 13.229 2.303 1.00 25.00 C ATOM 2289 C VAL A 151 -2.574 12.254 1.967 1.00 25.00 C ATOM 2290 O VAL A 151 -3.699 12.636 1.553 1.00 25.00 O ATOM 2291 CB VAL A 151 -1.902 13.983 3.570 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -1.935 13.091 4.801 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -1.023 15.207 3.849 1.00 50.00 C ATOM 0 H VAL A 151 -2.201 14.339 0.703 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.498 12.772 2.515 1.00 25.00 H new ATOM 0 HB VAL A 151 -2.918 14.321 3.366 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.250 13.675 5.665 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.638 12.274 4.640 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -0.940 12.683 4.982 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.371 15.706 4.753 1.00 50.00 H new ATOM 0 HG22 VAL A 151 0.011 14.889 3.985 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -1.083 15.897 3.008 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.376 10.960 2.209 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.446 9.963 2.105 1.00 25.00 C ATOM 2305 C TRP A 152 -3.791 9.634 3.555 1.00 25.00 C ATOM 2306 O TRP A 152 -2.923 9.404 4.358 1.00 25.00 O ATOM 2307 CB TRP A 152 -2.843 8.714 1.420 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.819 7.575 1.174 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -5.167 7.584 1.100 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.479 6.181 1.115 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -5.699 6.322 0.943 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -4.666 5.460 0.883 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.244 5.453 1.381 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -4.675 4.026 0.841 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -2.269 4.021 1.288 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -3.512 3.355 1.110 1.00 25.00 C ATOM 0 H TRP A 152 -1.473 10.571 2.482 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.317 10.297 1.541 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.413 9.015 0.465 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.023 8.342 2.035 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.764 8.482 1.158 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.689 6.085 0.883 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -1.336 5.977 1.641 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -5.580 3.487 0.602 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -1.352 3.455 1.353 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -3.540 2.278 1.190 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.044 9.641 3.961 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.514 9.205 5.270 1.00 25.00 C ATOM 2329 C ASP A 153 -6.136 7.843 5.029 1.00 25.00 C ATOM 2330 O ASP A 153 -6.878 7.609 4.033 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.607 10.025 5.870 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.172 11.361 6.488 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -5.107 11.365 7.154 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -6.780 12.385 6.264 1.00 25.00 O1- ATOM 0 H ASP A 153 -5.803 9.966 3.362 1.00 25.00 H new ATOM 0 HA ASP A 153 -4.663 9.256 5.949 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -7.350 10.227 5.099 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.100 9.432 6.641 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.756 6.797 5.745 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.162 5.434 5.478 1.00 25.00 C ATOM 2341 C VAL A 154 -6.677 4.827 6.800 1.00 25.00 C ATOM 2342 O VAL A 154 -6.203 5.175 7.899 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.101 4.640 4.792 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -3.814 4.401 5.670 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -5.545 3.260 4.364 1.00 50.00 C ATOM 0 H VAL A 154 -5.138 6.880 6.552 1.00 25.00 H new ATOM 0 HA VAL A 154 -6.979 5.414 4.756 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.879 5.267 3.928 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -3.090 3.817 5.102 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -3.374 5.361 5.940 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -4.087 3.859 6.576 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -4.718 2.747 3.873 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.857 2.690 5.239 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -6.381 3.346 3.670 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.832 4.172 6.721 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.582 3.666 7.914 1.00 25.00 C ATOM 2357 C ALA A 155 -7.984 2.350 8.413 1.00 25.00 C ATOM 2358 O ALA A 155 -8.228 1.938 9.489 1.00 25.00 O ATOM 2359 CB ALA A 155 -10.006 3.493 7.521 1.00 25.00 C ATOM 0 H ALA A 155 -8.293 3.966 5.835 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.509 4.380 8.735 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.577 3.124 8.373 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.413 4.451 7.199 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.073 2.776 6.702 1.00 25.00 H new ATOM 2365 N ASP A 156 -7.111 1.767 7.613 1.00 25.00 N ATOM 2366 CA ASP A 156 -6.410 0.516 7.922 1.00 25.00 C ATOM 2367 C ASP A 156 -5.473 0.612 9.088 1.00 25.00 C ATOM 2368 O ASP A 156 -5.206 -0.342 9.854 1.00 25.00 O ATOM 2369 CB ASP A 156 -5.549 0.044 6.785 1.00 25.00 C ATOM 2370 CG ASP A 156 -6.342 -0.442 5.578 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -7.272 0.212 5.086 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -5.963 -1.507 5.091 1.00 25.00 O1- ATOM 0 H ASP A 156 -6.857 2.154 6.704 1.00 25.00 H new ATOM 0 HA ASP A 156 -7.229 -0.170 8.138 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -4.894 0.858 6.475 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -4.908 -0.764 7.137 1.00 25.00 H new ATOM 2377 N THR A 157 -4.831 1.802 9.206 1.00 25.00 N ATOM 2378 CA THR A 157 -3.630 1.978 10.089 1.00 25.00 C ATOM 2379 C THR A 157 -3.606 3.371 10.770 1.00 25.00 C ATOM 2380 O THR A 157 -4.349 4.324 10.365 1.00 25.00 O ATOM 2381 CB THR A 157 -2.311 1.888 9.218 1.00 25.00 C ATOM 2382 OG1 THR A 157 -2.400 2.690 8.054 1.00 25.00 O ATOM 2383 CG2 THR A 157 -2.043 0.495 8.805 1.00 25.00 C ATOM 0 H THR A 157 -5.113 2.648 8.712 1.00 25.00 H new ATOM 0 HA THR A 157 -3.682 1.195 10.845 1.00 25.00 H new ATOM 0 HB THR A 157 -1.497 2.252 9.846 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.218 3.625 8.286 1.00 25.00 H new ATOM 0 HG21 THR A 157 -1.132 0.461 8.208 1.00 25.00 H new ATOM 0 HG22 THR A 157 -1.920 -0.130 9.690 1.00 25.00 H new ATOM 0 HG23 THR A 157 -2.879 0.124 8.212 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.860 3.490 11.847 1.00 25.00 N ATOM 2392 CA GLU A 158 -2.821 4.743 12.526 1.00 25.00 C ATOM 2393 C GLU A 158 -1.918 5.687 11.726 1.00 25.00 C ATOM 2394 O GLU A 158 -2.071 6.924 11.756 1.00 25.00 O ATOM 2395 CB GLU A 158 -2.174 4.503 13.918 1.00 25.00 C ATOM 2396 CG GLU A 158 -2.395 5.690 14.823 1.00 25.00 C ATOM 2397 CD GLU A 158 -1.758 5.512 16.234 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -1.835 6.440 17.042 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -1.333 4.373 16.526 1.00 25.00 O1- ATOM 0 H GLU A 158 -2.290 2.749 12.254 1.00 25.00 H new ATOM 0 HA GLU A 158 -3.819 5.168 12.631 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -2.600 3.609 14.373 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -1.105 4.323 13.801 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -1.978 6.580 14.353 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -3.466 5.860 14.934 1.00 25.00 H new ATOM 2406 N ASN A 159 -1.015 5.082 10.948 1.00 25.00 N ATOM 2407 CA ASN A 159 -0.146 5.800 10.065 1.00 25.00 C ATOM 2408 C ASN A 159 -0.914 6.390 8.926 1.00 25.00 C ATOM 2409 O ASN A 159 -1.865 5.738 8.449 1.00 25.00 O ATOM 2410 CB ASN A 159 1.003 4.866 9.532 1.00 25.00 C ATOM 2411 CG ASN A 159 2.024 4.430 10.591 1.00 25.00 C ATOM 2412 OD1 ASN A 159 1.765 4.113 11.734 1.00 25.00 O ATOM 2413 ND2 ASN A 159 3.225 4.468 10.216 1.00 25.00 N ATOM 0 H ASN A 159 -0.880 4.071 10.927 1.00 25.00 H new ATOM 0 HA ASN A 159 0.308 6.615 10.628 1.00 25.00 H new ATOM 0 HB2 ASN A 159 0.553 3.975 9.093 1.00 25.00 H new ATOM 0 HB3 ASN A 159 1.531 5.384 8.731 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.971 4.234 10.871 1.00 25.00 H new ATOM 0 HD22 ASN A 159 3.452 4.733 9.258 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.377 7.493 8.420 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.820 8.122 7.163 1.00 25.00 C ATOM 2422 C ALA A 160 0.466 8.166 6.361 1.00 25.00 C ATOM 2423 O ALA A 160 1.617 8.238 6.894 1.00 25.00 O ATOM 2424 CB ALA A 160 -1.366 9.499 7.472 1.00 25.00 C ATOM 0 H ALA A 160 0.391 7.990 8.871 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.617 7.604 6.629 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -1.697 9.975 6.549 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -2.209 9.411 8.157 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -0.586 10.105 7.933 1.00 25.00 H new ATOM 2430 N PHE A 161 0.271 8.277 5.048 1.00 25.00 N ATOM 2431 CA PHE A 161 1.356 8.348 4.061 1.00 25.00 C ATOM 2432 C PHE A 161 1.278 9.805 3.506 1.00 25.00 C ATOM 2433 O PHE A 161 0.199 10.440 3.369 1.00 25.00 O ATOM 2434 CB PHE A 161 1.049 7.348 2.940 1.00 25.00 C ATOM 2435 CG PHE A 161 1.602 5.992 3.190 1.00 25.00 C ATOM 2436 CD1 PHE A 161 0.932 5.047 3.975 1.00 50.00 C ATOM 2437 CD2 PHE A 161 2.851 5.590 2.624 1.00 50.00 C ATOM 2438 CE1 PHE A 161 1.387 3.787 4.108 1.00 25.00 C ATOM 2439 CE2 PHE A 161 3.361 4.330 2.832 1.00 25.00 C ATOM 2440 CZ PHE A 161 2.566 3.408 3.576 1.00 25.00 C ATOM 0 H PHE A 161 -0.658 8.321 4.630 1.00 25.00 H new ATOM 0 HA PHE A 161 2.338 8.117 4.473 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.031 7.274 2.815 1.00 25.00 H new ATOM 0 HB3 PHE A 161 1.453 7.730 2.002 1.00 25.00 H new ATOM 0 HD1 PHE A 161 0.026 5.336 4.487 1.00 50.00 H new ATOM 0 HD2 PHE A 161 3.407 6.291 2.019 1.00 50.00 H new ATOM 0 HE1 PHE A 161 0.795 3.065 4.652 1.00 25.00 H new ATOM 0 HE2 PHE A 161 4.329 4.048 2.446 1.00 25.00 H new ATOM 0 HZ PHE A 161 2.913 2.395 3.715 1.00 25.00 H new ATOM 2450 N TYR A 162 2.441 10.196 3.052 1.00 25.00 N ATOM 2451 CA TYR A 162 2.647 11.547 2.486 1.00 25.00 C ATOM 2452 C TYR A 162 3.302 11.342 1.133 1.00 25.00 C ATOM 2453 O TYR A 162 3.989 10.357 0.911 1.00 25.00 O ATOM 2454 CB TYR A 162 3.520 12.329 3.475 1.00 25.00 C ATOM 2455 CG TYR A 162 2.866 12.545 4.850 1.00 25.00 C ATOM 2456 CD1 TYR A 162 2.954 11.533 5.827 1.00 50.00 C ATOM 2457 CD2 TYR A 162 2.095 13.673 5.090 1.00 50.00 C ATOM 2458 CE1 TYR A 162 2.281 11.660 7.074 1.00 25.00 C ATOM 2459 CE2 TYR A 162 1.312 13.760 6.377 1.00 25.00 C ATOM 2460 CZ TYR A 162 1.463 12.795 7.327 1.00 25.00 C ATOM 2461 OH TYR A 162 0.793 12.911 8.508 1.00 25.00 O ATOM 0 H TYR A 162 3.276 9.611 3.054 1.00 25.00 H new ATOM 0 HA TYR A 162 1.731 12.120 2.342 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.462 11.798 3.611 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.761 13.300 3.042 1.00 25.00 H new ATOM 0 HD1 TYR A 162 3.541 10.649 5.626 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.056 14.475 4.368 1.00 50.00 H new ATOM 0 HE1 TYR A 162 2.391 10.895 7.828 1.00 25.00 H new ATOM 0 HE2 TYR A 162 0.634 14.584 6.545 1.00 25.00 H new ATOM 0 HH TYR A 162 0.283 13.748 8.514 1.00 25.00 H new ATOM 2471 N GLN A 163 3.019 12.257 0.228 1.00 25.00 N ATOM 2472 CA GLN A 163 3.565 12.170 -1.137 1.00 25.00 C ATOM 2473 C GLN A 163 4.095 13.569 -1.488 1.00 25.00 C ATOM 2474 O GLN A 163 3.394 14.551 -1.318 1.00 25.00 O ATOM 2475 CB GLN A 163 2.492 11.669 -2.114 1.00 25.00 C ATOM 2476 CG GLN A 163 1.734 10.445 -1.686 1.00 25.00 C ATOM 2477 CD GLN A 163 0.695 10.663 -0.573 1.00 25.00 C ATOM 2478 OE1 GLN A 163 0.056 11.668 -0.474 1.00 25.00 O ATOM 2479 NE2 GLN A 163 0.627 9.692 0.312 1.00 25.00 N ATOM 0 H GLN A 163 2.422 13.066 0.397 1.00 25.00 H new ATOM 0 HA GLN A 163 4.379 11.448 -1.207 1.00 25.00 H new ATOM 0 HB2 GLN A 163 1.777 12.475 -2.283 1.00 25.00 H new ATOM 0 HB3 GLN A 163 2.969 11.461 -3.072 1.00 25.00 H new ATOM 0 HG2 GLN A 163 1.226 10.031 -2.557 1.00 25.00 H new ATOM 0 HG3 GLN A 163 2.450 9.696 -1.349 1.00 25.00 H new ATOM 0 HE21 GLN A 163 1.190 8.850 0.190 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.011 9.781 1.120 1.00 25.00 H new ATOM 2488 N VAL A 164 5.311 13.761 -1.973 1.00 25.00 N ATOM 2489 CA VAL A 164 5.884 15.083 -2.294 1.00 25.00 C ATOM 2490 C VAL A 164 6.313 15.209 -3.757 1.00 25.00 C ATOM 2491 O VAL A 164 6.833 14.235 -4.306 1.00 25.00 O ATOM 2492 CB VAL A 164 6.965 15.516 -1.222 1.00 25.00 C ATOM 2493 CG1 VAL A 164 6.396 15.637 0.213 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.044 14.446 -1.193 1.00 75.00 C ATOM 0 H VAL A 164 5.952 12.991 -2.163 1.00 25.00 H new ATOM 0 HA VAL A 164 5.091 15.826 -2.209 1.00 25.00 H new ATOM 0 HB VAL A 164 7.337 16.498 -1.515 1.00 25.00 H new ATOM 0 HG11 VAL A 164 7.191 15.937 0.896 1.00 75.00 H new ATOM 0 HG12 VAL A 164 5.603 16.385 0.228 1.00 75.00 H new ATOM 0 HG13 VAL A 164 5.992 14.674 0.527 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.805 14.717 -0.462 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.600 13.489 -0.918 1.00 75.00 H new ATOM 0 HG23 VAL A 164 8.501 14.363 -2.179 1.00 75.00 H new ATOM 2504 N ILE A 165 6.018 16.314 -4.482 1.00 25.00 N ATOM 2505 CA ILE A 165 6.327 16.451 -5.889 1.00 25.00 C ATOM 2506 C ILE A 165 6.904 17.853 -6.033 1.00 25.00 C ATOM 2507 O ILE A 165 6.297 18.744 -5.524 1.00 25.00 O ATOM 2508 CB ILE A 165 5.052 16.301 -6.798 1.00 25.00 C ATOM 2509 CG1 ILE A 165 4.529 14.857 -6.714 1.00 25.00 C ATOM 2510 CG2 ILE A 165 5.372 16.585 -8.313 1.00 25.00 C ATOM 2511 CD1 ILE A 165 3.094 14.530 -7.404 1.00 25.00 C ATOM 0 H ILE A 165 5.555 17.132 -4.085 1.00 25.00 H new ATOM 0 HA ILE A 165 7.017 15.670 -6.210 1.00 25.00 H new ATOM 0 HB ILE A 165 4.318 17.023 -6.439 1.00 25.00 H new ATOM 0 HG12 ILE A 165 5.275 14.204 -7.166 1.00 25.00 H new ATOM 0 HG13 ILE A 165 4.464 14.585 -5.661 1.00 25.00 H new ATOM 0 HG21 ILE A 165 4.464 16.470 -8.904 1.00 25.00 H new ATOM 0 HG22 ILE A 165 5.749 17.602 -8.421 1.00 25.00 H new ATOM 0 HG23 ILE A 165 6.125 15.880 -8.664 1.00 25.00 H new ATOM 0 HD11 ILE A 165 2.856 13.475 -7.265 1.00 25.00 H new ATOM 0 HD12 ILE A 165 2.320 15.141 -6.940 1.00 25.00 H new ATOM 0 HD13 ILE A 165 3.143 14.754 -8.470 1.00 25.00 H new ATOM 2523 N ASP A 166 8.031 18.019 -6.726 1.00 25.00 N ATOM 2524 CA ASP A 166 8.571 19.341 -7.013 1.00 25.00 C ATOM 2525 C ASP A 166 8.257 19.621 -8.524 1.00 25.00 C ATOM 2526 O ASP A 166 8.229 18.683 -9.370 1.00 25.00 O ATOM 2527 CB ASP A 166 10.062 19.298 -6.841 1.00 25.00 C ATOM 2528 CG ASP A 166 10.737 20.699 -6.854 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.958 20.730 -6.920 1.00 25.00 O ATOM 2530 OD2 ASP A 166 10.024 21.754 -6.891 1.00 25.00 O1- ATOM 0 H ASP A 166 8.587 17.249 -7.099 1.00 25.00 H new ATOM 0 HA ASP A 166 8.147 20.102 -6.358 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.295 18.802 -5.899 1.00 25.00 H new ATOM 0 HB3 ASP A 166 10.493 18.690 -7.637 1.00 25.00 H new ATOM 2535 N VAL A 167 7.906 20.835 -8.857 1.00 25.00 N ATOM 2536 CA VAL A 167 7.647 21.129 -10.259 1.00 25.00 C ATOM 2537 C VAL A 167 8.240 22.463 -10.560 1.00 25.00 C ATOM 2538 O VAL A 167 8.363 23.293 -9.678 1.00 25.00 O ATOM 2539 CB VAL A 167 6.037 21.232 -10.613 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.464 19.818 -10.973 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.248 21.925 -9.513 1.00 50.00 C ATOM 0 H VAL A 167 7.793 21.617 -8.211 1.00 25.00 H new ATOM 0 HA VAL A 167 8.076 20.317 -10.847 1.00 25.00 H new ATOM 0 HB VAL A 167 5.925 21.865 -11.493 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.402 19.904 -11.204 1.00 50.00 H new ATOM 0 HG12 VAL A 167 5.993 19.421 -11.840 1.00 50.00 H new ATOM 0 HG13 VAL A 167 5.598 19.145 -10.126 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.195 21.968 -9.792 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.354 21.367 -8.583 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.628 22.937 -9.375 1.00 50.00 H new ATOM 2551 N ASP A 168 8.699 22.710 -11.791 1.00 25.00 N ATOM 2552 CA ASP A 168 9.244 23.968 -12.181 1.00 25.00 C ATOM 2553 C ASP A 168 8.456 24.364 -13.375 1.00 25.00 C ATOM 2554 O ASP A 168 8.644 23.885 -14.507 1.00 25.00 O ATOM 2555 CB ASP A 168 10.690 23.763 -12.585 1.00 25.00 C ATOM 2556 CG ASP A 168 11.391 25.051 -12.981 1.00 25.00 C ATOM 2557 OD1 ASP A 168 12.335 25.017 -13.812 1.00 25.00 O ATOM 2558 OD2 ASP A 168 11.138 26.136 -12.356 1.00 25.00 O1- ATOM 0 H ASP A 168 8.692 22.016 -12.539 1.00 25.00 H new ATOM 0 HA ASP A 168 9.203 24.715 -11.388 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.230 23.303 -11.757 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.731 23.063 -13.420 1.00 25.00 H new ATOM 2563 N LEU A 169 7.431 25.146 -13.113 1.00 25.00 N ATOM 2564 CA LEU A 169 6.521 25.661 -14.084 1.00 25.00 C ATOM 2565 C LEU A 169 7.167 26.824 -14.763 1.00 25.00 C ATOM 2566 O LEU A 169 7.431 27.789 -14.106 1.00 25.00 O ATOM 2567 CB LEU A 169 5.314 26.128 -13.388 1.00 25.00 C ATOM 2568 CG LEU A 169 4.470 25.362 -12.411 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.900 24.128 -13.020 1.00 50.00 C ATOM 2570 CD2 LEU A 169 5.054 25.091 -11.038 1.00 50.00 C ATOM 0 H LEU A 169 7.208 25.449 -12.165 1.00 25.00 H new ATOM 0 HA LEU A 169 6.261 24.894 -14.814 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.619 27.030 -12.858 1.00 25.00 H new ATOM 0 HB3 LEU A 169 4.629 26.438 -14.177 1.00 25.00 H new ATOM 0 HG LEU A 169 3.668 26.067 -12.192 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.296 23.603 -12.280 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.276 24.398 -13.872 1.00 50.00 H new ATOM 0 HD13 LEU A 169 4.710 23.479 -13.354 1.00 50.00 H new ATOM 0 HD21 LEU A 169 4.335 24.530 -10.441 1.00 50.00 H new ATOM 0 HD22 LEU A 169 5.971 24.511 -11.141 1.00 50.00 H new ATOM 0 HD23 LEU A 169 5.277 26.037 -10.544 1.00 50.00 H new ATOM 2582 N VAL A 170 7.406 26.792 -16.079 1.00 25.00 N ATOM 2583 CA VAL A 170 8.030 27.923 -16.797 1.00 25.00 C ATOM 2584 C VAL A 170 7.047 28.444 -17.816 1.00 25.00 C ATOM 2585 O VAL A 170 6.172 27.787 -18.315 1.00 25.00 O ATOM 2586 CB VAL A 170 9.451 27.641 -17.345 1.00 25.00 C ATOM 2587 CG1 VAL A 170 10.283 27.030 -16.205 1.00 50.00 C ATOM 2588 CG2 VAL A 170 9.548 26.668 -18.458 1.00 50.00 C ATOM 0 H VAL A 170 7.178 25.996 -16.675 1.00 25.00 H new ATOM 0 HA VAL A 170 8.236 28.718 -16.080 1.00 25.00 H new ATOM 0 HB VAL A 170 9.794 28.603 -17.724 1.00 25.00 H new ATOM 0 HG11 VAL A 170 11.291 26.820 -16.562 1.00 50.00 H new ATOM 0 HG12 VAL A 170 10.332 27.733 -15.373 1.00 50.00 H new ATOM 0 HG13 VAL A 170 9.817 26.103 -15.870 1.00 50.00 H new ATOM 0 HG21 VAL A 170 10.591 26.556 -18.753 1.00 50.00 H new ATOM 0 HG22 VAL A 170 9.157 25.704 -18.133 1.00 50.00 H new ATOM 0 HG23 VAL A 170 8.967 27.028 -19.307 1.00 50.00 H new ATOM 2598 N ASN A 171 7.316 29.673 -18.145 1.00 25.00 N ATOM 2599 CA ASN A 171 6.561 30.423 -19.122 1.00 25.00 C ATOM 2600 C ASN A 171 7.246 30.204 -20.450 1.00 25.00 C ATOM 2601 O ASN A 171 8.443 29.802 -20.525 1.00 25.00 O ATOM 2602 CB ASN A 171 6.653 31.900 -18.776 1.00 25.00 C ATOM 2603 CG ASN A 171 5.790 32.361 -17.595 1.00 25.00 C ATOM 2604 OD1 ASN A 171 5.574 31.537 -16.733 1.00 25.00 O ATOM 2605 ND2 ASN A 171 5.306 33.597 -17.499 1.00 25.00 N ATOM 0 H ASN A 171 8.086 30.201 -17.734 1.00 25.00 H new ATOM 0 HA ASN A 171 5.516 30.113 -19.147 1.00 25.00 H new ATOM 0 HB2 ASN A 171 7.694 32.139 -18.557 1.00 25.00 H new ATOM 0 HB3 ASN A 171 6.371 32.479 -19.656 1.00 25.00 H new ATOM 0 HD21 ASN A 171 4.744 33.863 -16.691 1.00 25.00 H new ATOM 0 HD22 ASN A 171 5.497 34.278 -18.234 1.00 25.00 H new ATOM 2612 N LYS A 172 6.599 30.474 -21.562 1.00 25.00 N ATOM 2613 CA LYS A 172 7.330 30.541 -22.816 1.00 25.00 C ATOM 2614 C LYS A 172 8.251 31.806 -22.777 1.00 25.00 C ATOM 2615 O LYS A 172 9.188 31.886 -23.590 1.00 25.00 O ATOM 2616 CB LYS A 172 6.304 30.668 -23.945 1.00 25.00 C ATOM 2617 CG LYS A 172 5.502 31.943 -23.955 1.00 25.00 C ATOM 2618 CD LYS A 172 4.424 31.921 -25.051 1.00 25.00 C ATOM 2619 CE LYS A 172 3.702 33.221 -25.079 1.00 25.00 C ATOM 2620 NZ LYS A 172 2.697 33.355 -26.222 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 8.032 32.745 -21.910 1.00 25.00 O1- ATOM 0 H LYS A 172 5.596 30.647 -21.629 1.00 25.00 H new ATOM 0 HA LYS A 172 7.944 29.654 -22.974 1.00 25.00 H new ATOM 0 HB2 LYS A 172 6.826 30.581 -24.898 1.00 25.00 H new ATOM 0 HB3 LYS A 172 5.614 29.826 -23.881 1.00 25.00 H new ATOM 0 HG2 LYS A 172 5.031 32.086 -22.982 1.00 25.00 H new ATOM 0 HG3 LYS A 172 6.167 32.792 -24.114 1.00 25.00 H new ATOM 0 HD2 LYS A 172 4.883 31.730 -26.021 1.00 25.00 H new ATOM 0 HD3 LYS A 172 3.721 31.109 -24.865 1.00 25.00 H new ATOM 0 HE2 LYS A 172 3.178 33.353 -24.132 1.00 25.00 H new ATOM 0 HE3 LYS A 172 4.431 34.027 -25.155 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 2.237 34.286 -26.172 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 3.192 33.261 -27.132 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 1.977 32.609 -26.141 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 -0.480 -1.519 1.211 1.00 0.00 CU