USER MOD reduce.3.24.130724 H: found=0, std=0, add=1220, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1220 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 : A 60 ASNHD21 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 202 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 203 CACA :(metal ligand) USER MOD Set 1.1: A 107 HIS : no HD1:sc= 0.0135 X(o=-0.85,f=-0.57) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.859 X(o=-0.85,f=-0.57) USER MOD Set 2.1: A 101 SER OG : rot -136:sc= 1 USER MOD Set 2.2: A 135 GLN : amide:sc= 0.859 K(o=1.9,f=0.52) USER MOD Set 3.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 137 ASN : amide:sc= 0.323 K(o=0.32,f=-8.2!) USER MOD Set 4.1: A 81 SER OG : rot -44:sc= 2.3 USER MOD Set 4.2: A 146 THR OG1 : rot -82:sc= 1.18 USER MOD Set 5.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 49 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.4!) USER MOD Set 6.1: A 5 THR OG1 : rot 134:sc= 1.43 USER MOD Set 6.2: A 8 GLN : amide:sc= 0.95 K(o=2.4,f=-0.092) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 90:sc= 1.27 USER MOD Single : A 21 LYS NZ :NH3+ -130:sc= 1.57 (180deg=-1.24) USER MOD Single : A 26 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 28 THR OG1 : rot -56:sc= 0.819 USER MOD Single : A 30 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0551) USER MOD Single : A 34 THR OG1 : rot 71:sc= 1.17 USER MOD Single : A 36 MET CE :methyl -172:sc= -1.82 (180deg=-2.11) USER MOD Single : A 38 SER OG : rot 180:sc= 0.637 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.016) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00344 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -25:sc= 0.923 USER MOD Single : A 70 THR OG1 : rot 82:sc= 0.73 USER MOD Single : A 71 MET CE :methyl -171:sc= -1.07 (180deg=-1.19) USER MOD Single : A 72 MET CE :methyl -175:sc= 0 (180deg=-0.0306) USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= 1.96 (180deg=0.493) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.943 (180deg=-2.51!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -163:sc= -0.0039 (180deg=-0.184) USER MOD Single : A 110 THR OG1 : rot 87:sc= 1.09 USER MOD Single : A 115 LYS NZ :NH3+ -172:sc= 2.37 (180deg=2.18) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0519 USER MOD Single : A 124 MET CE :methyl -166:sc= -4.19! (180deg=-4.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.543 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl -148:sc= -5.49! (180deg=-9.35!) USER MOD Single : A 145 MET CE :methyl -147:sc= 0 (180deg=-0.486) USER MOD Single : B 1 MET CE :methyl 161:sc= -2.06! (180deg=-2.26) USER MOD Single : B 1 MET N :NH3+ -164:sc= 1.17 (180deg=0.507) USER MOD Single : B 3 CYS SG : rot -46:sc= -2.79! USER MOD Single : B 5 CYS SG : rot -30:sc= -4.14! USER MOD Single : B 8 THR OG1 : rot -160:sc= 0.426 USER MOD Single : B 9 THR OG1 : rot 78:sc= 1.21 USER MOD Single : B 10 LYS NZ :NH3+ -126:sc= 1.31 (180deg=0.71) USER MOD Single : B 11 LYS NZ :NH3+ -152:sc= 1.79 (180deg=-1.38!) USER MOD Single : B 12 TYR OH : rot -159:sc= -0.551 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.075) USER MOD Single : B 19 THR OG1 : rot -9:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 4 -2.238 19.437 4.277 1.00 1.45 N ATOM 2 CA LEU A 4 -1.445 18.345 3.691 1.00 1.33 C ATOM 3 C LEU A 4 -0.567 18.865 2.564 1.00 1.19 C ATOM 4 O LEU A 4 -0.861 19.905 1.975 1.00 1.15 O ATOM 5 CB LEU A 4 -2.375 17.268 3.153 1.00 1.31 C ATOM 6 CG LEU A 4 -1.666 16.054 2.575 1.00 1.33 C ATOM 7 CD1 LEU A 4 -0.897 15.320 3.661 1.00 1.71 C ATOM 8 CD2 LEU A 4 -2.659 15.139 1.898 1.00 1.33 C ATOM 0 HA LEU A 4 -0.806 17.925 4.468 1.00 1.33 H new ATOM 0 HB2 LEU A 4 -3.034 16.940 3.957 1.00 1.31 H new ATOM 0 HB3 LEU A 4 -3.008 17.705 2.381 1.00 1.31 H new ATOM 0 HG LEU A 4 -0.950 16.390 1.825 1.00 1.33 H new ATOM 0 HD11 LEU A 4 -0.396 14.454 3.230 1.00 1.71 H new ATOM 0 HD12 LEU A 4 -0.155 15.989 4.097 1.00 1.71 H new ATOM 0 HD13 LEU A 4 -1.588 14.990 4.437 1.00 1.71 H new ATOM 0 HD21 LEU A 4 -2.137 14.274 1.489 1.00 1.33 H new ATOM 0 HD22 LEU A 4 -3.400 14.805 2.624 1.00 1.33 H new ATOM 0 HD23 LEU A 4 -3.158 15.676 1.092 1.00 1.33 H new ATOM 20 N THR A 5 0.512 18.143 2.283 1.00 1.17 N ATOM 21 CA THR A 5 1.429 18.491 1.215 1.00 1.07 C ATOM 22 C THR A 5 0.684 18.561 -0.114 1.00 0.97 C ATOM 23 O THR A 5 -0.066 17.644 -0.467 1.00 0.96 O ATOM 24 CB THR A 5 2.545 17.436 1.124 1.00 1.11 C ATOM 25 OG1 THR A 5 2.157 16.285 1.891 1.00 1.25 O ATOM 26 CG2 THR A 5 3.873 17.971 1.646 1.00 1.21 C ATOM 0 H THR A 5 0.772 17.299 2.793 1.00 1.17 H new ATOM 0 HA THR A 5 1.867 19.466 1.430 1.00 1.07 H new ATOM 0 HB THR A 5 2.684 17.172 0.076 1.00 1.11 H new ATOM 0 HG1 THR A 5 2.321 15.473 1.368 1.00 1.25 H new ATOM 0 HG21 THR A 5 4.635 17.196 1.565 1.00 1.21 H new ATOM 0 HG22 THR A 5 4.173 18.838 1.057 1.00 1.21 H new ATOM 0 HG23 THR A 5 3.762 18.263 2.690 1.00 1.21 H new ATOM 34 N GLU A 6 0.860 19.661 -0.833 1.00 0.93 N ATOM 35 CA GLU A 6 0.203 19.862 -2.117 1.00 0.88 C ATOM 36 C GLU A 6 0.553 18.750 -3.108 1.00 0.84 C ATOM 37 O GLU A 6 -0.290 18.331 -3.904 1.00 0.82 O ATOM 38 CB GLU A 6 0.588 21.234 -2.677 1.00 0.92 C ATOM 39 CG GLU A 6 0.575 22.308 -1.602 1.00 1.07 C ATOM 40 CD GLU A 6 0.354 23.704 -2.137 1.00 1.44 C ATOM 41 OE1 GLU A 6 1.117 24.140 -3.019 1.00 1.97 O ATOM 42 OE2 GLU A 6 -0.577 24.385 -1.659 1.00 1.91 O ATOM 0 H GLU A 6 1.459 20.435 -0.545 1.00 0.93 H new ATOM 0 HA GLU A 6 -0.876 19.826 -1.964 1.00 0.88 H new ATOM 0 HB2 GLU A 6 1.581 21.179 -3.123 1.00 0.92 H new ATOM 0 HB3 GLU A 6 -0.104 21.509 -3.473 1.00 0.92 H new ATOM 0 HG2 GLU A 6 -0.209 22.077 -0.880 1.00 1.07 H new ATOM 0 HG3 GLU A 6 1.522 22.281 -1.063 1.00 1.07 H new ATOM 49 N GLU A 7 1.785 18.255 -3.026 1.00 0.86 N ATOM 50 CA GLU A 7 2.249 17.185 -3.902 1.00 0.85 C ATOM 51 C GLU A 7 1.427 15.922 -3.681 1.00 0.84 C ATOM 52 O GLU A 7 1.034 15.260 -4.638 1.00 0.82 O ATOM 53 CB GLU A 7 3.735 16.901 -3.667 1.00 0.90 C ATOM 54 CG GLU A 7 4.633 18.080 -4.009 1.00 1.18 C ATOM 55 CD GLU A 7 4.911 18.972 -2.813 1.00 1.58 C ATOM 56 OE1 GLU A 7 4.047 19.061 -1.916 1.00 1.76 O ATOM 57 OE2 GLU A 7 5.995 19.586 -2.767 1.00 1.98 O ATOM 0 H GLU A 7 2.483 18.581 -2.357 1.00 0.86 H new ATOM 0 HA GLU A 7 2.119 17.508 -4.935 1.00 0.85 H new ATOM 0 HB2 GLU A 7 3.885 16.630 -2.622 1.00 0.90 H new ATOM 0 HB3 GLU A 7 4.033 16.040 -4.266 1.00 0.90 H new ATOM 0 HG2 GLU A 7 5.577 17.709 -4.407 1.00 1.18 H new ATOM 0 HG3 GLU A 7 4.165 18.671 -4.797 1.00 1.18 H new ATOM 64 N GLN A 8 1.168 15.599 -2.414 1.00 0.87 N ATOM 65 CA GLN A 8 0.364 14.427 -2.076 1.00 0.89 C ATOM 66 C GLN A 8 -0.996 14.546 -2.737 1.00 0.83 C ATOM 67 O GLN A 8 -1.453 13.626 -3.416 1.00 0.81 O ATOM 68 CB GLN A 8 0.191 14.289 -0.561 1.00 0.99 C ATOM 69 CG GLN A 8 1.044 13.189 0.050 1.00 1.24 C ATOM 70 CD GLN A 8 2.533 13.444 -0.102 1.00 1.43 C ATOM 71 OE1 GLN A 8 3.153 14.071 0.754 1.00 1.54 O ATOM 72 NE2 GLN A 8 3.119 12.956 -1.189 1.00 1.62 N ATOM 0 H GLN A 8 1.502 16.130 -1.609 1.00 0.87 H new ATOM 0 HA GLN A 8 0.880 13.538 -2.438 1.00 0.89 H new ATOM 0 HB2 GLN A 8 0.442 15.238 -0.087 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -0.858 14.090 -0.340 1.00 0.99 H new ATOM 0 HG2 GLN A 8 0.803 13.095 1.109 1.00 1.24 H new ATOM 0 HG3 GLN A 8 0.793 12.238 -0.420 1.00 1.24 H new ATOM 0 HE21 GLN A 8 2.570 12.441 -1.877 1.00 1.62 H new ATOM 0 HE22 GLN A 8 4.119 13.096 -1.336 1.00 1.62 H new ATOM 81 N ILE A 9 -1.632 15.689 -2.517 1.00 0.84 N ATOM 82 CA ILE A 9 -2.931 15.996 -3.106 1.00 0.83 C ATOM 83 C ILE A 9 -2.891 15.784 -4.616 1.00 0.77 C ATOM 84 O ILE A 9 -3.812 15.216 -5.206 1.00 0.78 O ATOM 85 CB ILE A 9 -3.343 17.451 -2.795 1.00 0.87 C ATOM 86 CG1 ILE A 9 -3.417 17.684 -1.284 1.00 0.92 C ATOM 87 CG2 ILE A 9 -4.669 17.809 -3.448 1.00 0.92 C ATOM 88 CD1 ILE A 9 -4.459 16.838 -0.583 1.00 1.13 C ATOM 0 H ILE A 9 -1.262 16.432 -1.924 1.00 0.84 H new ATOM 0 HA ILE A 9 -3.669 15.323 -2.669 1.00 0.83 H new ATOM 0 HB ILE A 9 -2.576 18.102 -3.213 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -2.441 17.477 -0.846 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -3.633 18.736 -1.099 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -4.927 18.840 -3.207 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -4.583 17.699 -4.529 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -5.449 17.144 -3.077 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -4.450 17.060 0.484 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -5.444 17.061 -0.992 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -4.233 15.783 -0.736 1.00 1.13 H new ATOM 100 N ALA A 10 -1.801 16.229 -5.231 1.00 0.74 N ATOM 101 CA ALA A 10 -1.611 16.088 -6.666 1.00 0.71 C ATOM 102 C ALA A 10 -1.555 14.611 -7.061 1.00 0.68 C ATOM 103 O ALA A 10 -2.074 14.217 -8.107 1.00 0.70 O ATOM 104 CB ALA A 10 -0.348 16.815 -7.097 1.00 0.74 C ATOM 0 H ALA A 10 -1.030 16.694 -4.751 1.00 0.74 H new ATOM 0 HA ALA A 10 -2.461 16.538 -7.179 1.00 0.71 H new ATOM 0 HB1 ALA A 10 -0.214 16.704 -8.173 1.00 0.74 H new ATOM 0 HB2 ALA A 10 -0.435 17.873 -6.849 1.00 0.74 H new ATOM 0 HB3 ALA A 10 0.511 16.390 -6.578 1.00 0.74 H new ATOM 110 N GLU A 11 -0.937 13.796 -6.208 1.00 0.68 N ATOM 111 CA GLU A 11 -0.827 12.363 -6.459 1.00 0.69 C ATOM 112 C GLU A 11 -2.182 11.690 -6.268 1.00 0.65 C ATOM 113 O GLU A 11 -2.560 10.800 -7.031 1.00 0.62 O ATOM 114 CB GLU A 11 0.221 11.730 -5.540 1.00 0.75 C ATOM 115 CG GLU A 11 1.597 12.364 -5.655 1.00 0.96 C ATOM 116 CD GLU A 11 2.700 11.445 -5.174 1.00 1.07 C ATOM 117 OE1 GLU A 11 2.650 11.009 -4.013 1.00 1.21 O ATOM 118 OE2 GLU A 11 3.625 11.153 -5.971 1.00 1.57 O ATOM 0 H GLU A 11 -0.505 14.105 -5.337 1.00 0.68 H new ATOM 0 HA GLU A 11 -0.506 12.217 -7.490 1.00 0.69 H new ATOM 0 HB2 GLU A 11 -0.120 11.807 -4.508 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.300 10.668 -5.771 1.00 0.75 H new ATOM 0 HG2 GLU A 11 1.782 12.636 -6.694 1.00 0.96 H new ATOM 0 HG3 GLU A 11 1.618 13.287 -5.075 1.00 0.96 H new ATOM 125 N PHE A 12 -2.901 12.100 -5.224 1.00 0.67 N ATOM 126 CA PHE A 12 -4.231 11.569 -4.951 1.00 0.67 C ATOM 127 C PHE A 12 -5.165 11.887 -6.111 1.00 0.66 C ATOM 128 O PHE A 12 -6.097 11.132 -6.401 1.00 0.64 O ATOM 129 CB PHE A 12 -4.774 12.135 -3.636 1.00 0.73 C ATOM 130 CG PHE A 12 -4.031 11.623 -2.431 1.00 1.01 C ATOM 131 CD1 PHE A 12 -3.756 10.271 -2.289 1.00 1.39 C ATOM 132 CD2 PHE A 12 -3.591 12.498 -1.455 1.00 1.29 C ATOM 133 CE1 PHE A 12 -3.052 9.805 -1.197 1.00 1.80 C ATOM 134 CE2 PHE A 12 -2.891 12.038 -0.360 1.00 1.66 C ATOM 135 CZ PHE A 12 -2.619 10.690 -0.229 1.00 1.85 C ATOM 0 H PHE A 12 -2.582 12.800 -4.554 1.00 0.67 H new ATOM 0 HA PHE A 12 -4.167 10.486 -4.847 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -4.712 13.223 -3.661 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.829 11.878 -3.543 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -4.097 9.575 -3.041 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -3.798 13.554 -1.552 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -2.840 8.750 -1.100 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -2.555 12.732 0.396 1.00 1.66 H new ATOM 0 HZ PHE A 12 -2.069 10.329 0.628 1.00 1.85 H new ATOM 145 N LYS A 13 -4.921 13.026 -6.763 1.00 0.67 N ATOM 146 CA LYS A 13 -5.696 13.429 -7.925 1.00 0.69 C ATOM 147 C LYS A 13 -5.587 12.358 -9.014 1.00 0.64 C ATOM 148 O LYS A 13 -6.577 12.026 -9.669 1.00 0.64 O ATOM 149 CB LYS A 13 -5.206 14.783 -8.461 1.00 0.75 C ATOM 150 CG LYS A 13 -5.970 15.290 -9.677 1.00 0.91 C ATOM 151 CD LYS A 13 -5.363 16.582 -10.205 1.00 1.14 C ATOM 152 CE LYS A 13 -4.100 16.313 -11.007 1.00 1.25 C ATOM 153 NZ LYS A 13 -3.302 17.546 -11.230 1.00 1.50 N ATOM 0 H LYS A 13 -4.188 13.684 -6.500 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.740 13.537 -7.630 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -5.280 15.524 -7.665 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -4.151 14.698 -8.719 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -5.958 14.532 -10.460 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -7.014 15.457 -9.411 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -6.091 17.099 -10.831 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -5.132 17.245 -9.371 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.489 15.577 -10.484 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -4.369 15.878 -11.969 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -2.451 17.314 -11.781 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -3.874 18.240 -11.753 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -3.022 17.949 -10.313 1.00 1.50 H new ATOM 167 N GLU A 14 -4.389 11.799 -9.177 1.00 0.61 N ATOM 168 CA GLU A 14 -4.163 10.751 -10.166 1.00 0.59 C ATOM 169 C GLU A 14 -4.919 9.485 -9.755 1.00 0.53 C ATOM 170 O GLU A 14 -5.462 8.772 -10.597 1.00 0.53 O ATOM 171 CB GLU A 14 -2.666 10.436 -10.317 1.00 0.63 C ATOM 172 CG GLU A 14 -1.768 11.667 -10.353 1.00 0.98 C ATOM 173 CD GLU A 14 -0.381 11.368 -10.898 1.00 1.04 C ATOM 174 OE1 GLU A 14 0.252 10.398 -10.431 1.00 1.45 O ATOM 175 OE2 GLU A 14 0.083 12.112 -11.791 1.00 1.64 O ATOM 0 H GLU A 14 -3.562 12.055 -8.637 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.532 11.107 -11.128 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -2.355 9.798 -9.490 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.517 9.865 -11.233 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -2.237 12.435 -10.967 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -1.678 12.075 -9.346 1.00 0.98 H new ATOM 182 N ALA A 15 -4.960 9.228 -8.445 1.00 0.51 N ATOM 183 CA ALA A 15 -5.661 8.063 -7.903 1.00 0.47 C ATOM 184 C ALA A 15 -7.161 8.202 -8.125 1.00 0.45 C ATOM 185 O ALA A 15 -7.824 7.246 -8.525 1.00 0.44 O ATOM 186 CB ALA A 15 -5.366 7.890 -6.419 1.00 0.48 C ATOM 0 H ALA A 15 -4.514 9.814 -7.739 1.00 0.51 H new ATOM 0 HA ALA A 15 -5.303 7.177 -8.428 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.899 7.017 -6.041 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -4.295 7.751 -6.275 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.693 8.777 -5.877 1.00 0.48 H new ATOM 192 N PHE A 16 -7.701 9.380 -7.803 1.00 0.46 N ATOM 193 CA PHE A 16 -9.113 9.670 -8.024 1.00 0.47 C ATOM 194 C PHE A 16 -9.475 9.424 -9.481 1.00 0.48 C ATOM 195 O PHE A 16 -10.485 8.797 -9.784 1.00 0.49 O ATOM 196 CB PHE A 16 -9.436 11.120 -7.660 1.00 0.54 C ATOM 197 CG PHE A 16 -10.012 11.299 -6.283 1.00 0.49 C ATOM 198 CD1 PHE A 16 -11.297 10.870 -5.995 1.00 0.78 C ATOM 199 CD2 PHE A 16 -9.276 11.913 -5.283 1.00 0.91 C ATOM 200 CE1 PHE A 16 -11.838 11.048 -4.736 1.00 1.11 C ATOM 201 CE2 PHE A 16 -9.812 12.093 -4.022 1.00 1.22 C ATOM 202 CZ PHE A 16 -11.095 11.658 -3.750 1.00 1.23 C ATOM 0 H PHE A 16 -7.176 10.149 -7.387 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.697 9.009 -7.384 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.525 11.714 -7.740 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -10.141 11.517 -8.390 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.884 10.390 -6.764 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -8.273 12.255 -5.491 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -12.842 10.709 -4.526 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -9.229 12.573 -3.250 1.00 1.22 H new ATOM 0 HZ PHE A 16 -11.515 11.796 -2.765 1.00 1.23 H new ATOM 212 N SER A 17 -8.618 9.910 -10.370 1.00 0.52 N ATOM 213 CA SER A 17 -8.816 9.755 -11.807 1.00 0.56 C ATOM 214 C SER A 17 -8.712 8.286 -12.218 1.00 0.49 C ATOM 215 O SER A 17 -9.136 7.899 -13.308 1.00 0.55 O ATOM 216 CB SER A 17 -7.766 10.579 -12.554 1.00 0.64 C ATOM 217 OG SER A 17 -7.735 11.916 -12.081 1.00 0.77 O ATOM 0 H SER A 17 -7.771 10.420 -10.118 1.00 0.52 H new ATOM 0 HA SER A 17 -9.815 10.109 -12.063 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.784 10.123 -12.428 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.986 10.573 -13.622 1.00 0.64 H new ATOM 0 HG SER A 17 -7.100 11.986 -11.338 1.00 0.77 H new ATOM 223 N LEU A 18 -8.132 7.474 -11.345 1.00 0.42 N ATOM 224 CA LEU A 18 -7.981 6.053 -11.610 1.00 0.38 C ATOM 225 C LEU A 18 -9.218 5.295 -11.145 1.00 0.36 C ATOM 226 O LEU A 18 -9.773 4.489 -11.892 1.00 0.38 O ATOM 227 CB LEU A 18 -6.727 5.493 -10.920 1.00 0.42 C ATOM 228 CG LEU A 18 -6.572 3.969 -10.989 1.00 0.87 C ATOM 229 CD1 LEU A 18 -5.999 3.559 -12.333 1.00 1.43 C ATOM 230 CD2 LEU A 18 -5.692 3.456 -9.854 1.00 1.02 C ATOM 0 H LEU A 18 -7.758 7.777 -10.446 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.866 5.920 -12.686 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -5.847 5.953 -11.371 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -6.743 5.794 -9.872 1.00 0.42 H new ATOM 0 HG LEU A 18 -7.559 3.521 -10.877 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -5.894 2.475 -12.368 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -6.669 3.885 -13.129 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -5.022 4.023 -12.469 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -5.599 2.372 -9.927 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -4.704 3.911 -9.926 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -6.143 3.718 -8.897 1.00 1.02 H new ATOM 242 N PHE A 19 -9.667 5.575 -9.919 1.00 0.35 N ATOM 243 CA PHE A 19 -10.839 4.907 -9.354 1.00 0.35 C ATOM 244 C PHE A 19 -12.125 5.385 -10.022 1.00 0.35 C ATOM 245 O PHE A 19 -13.025 4.590 -10.292 1.00 0.37 O ATOM 246 CB PHE A 19 -10.936 5.159 -7.837 1.00 0.35 C ATOM 247 CG PHE A 19 -9.924 4.415 -7.006 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.892 3.029 -7.001 1.00 0.41 C ATOM 249 CD2 PHE A 19 -9.017 5.103 -6.218 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.973 2.345 -6.232 1.00 0.50 C ATOM 251 CE2 PHE A 19 -8.100 4.424 -5.443 1.00 0.51 C ATOM 252 CZ PHE A 19 -8.073 3.039 -5.452 1.00 0.56 C ATOM 0 H PHE A 19 -9.235 6.261 -9.299 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.720 3.839 -9.538 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.822 6.227 -7.653 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.935 4.883 -7.500 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.596 2.477 -7.607 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -9.028 6.183 -6.210 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.959 1.265 -6.241 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.402 4.973 -4.828 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.351 2.506 -4.851 1.00 0.56 H new ATOM 262 N ASP A 20 -12.205 6.683 -10.284 1.00 0.36 N ATOM 263 CA ASP A 20 -13.387 7.270 -10.904 1.00 0.38 C ATOM 264 C ASP A 20 -13.403 7.023 -12.402 1.00 0.44 C ATOM 265 O ASP A 20 -12.375 7.123 -13.071 1.00 0.50 O ATOM 266 CB ASP A 20 -13.448 8.773 -10.630 1.00 0.40 C ATOM 267 CG ASP A 20 -14.767 9.384 -11.061 1.00 0.43 C ATOM 268 OD1 ASP A 20 -14.975 9.582 -12.275 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.614 9.657 -10.182 1.00 0.42 O ATOM 0 H ASP A 20 -11.463 7.352 -10.076 1.00 0.36 H new ATOM 0 HA ASP A 20 -14.261 6.790 -10.464 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -13.298 8.952 -9.565 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.632 9.269 -11.155 1.00 0.40 H new ATOM 274 N LYS A 21 -14.571 6.688 -12.920 1.00 0.45 N ATOM 275 CA LYS A 21 -14.728 6.440 -14.338 1.00 0.52 C ATOM 276 C LYS A 21 -16.054 6.991 -14.851 1.00 0.55 C ATOM 277 O LYS A 21 -16.594 6.507 -15.847 1.00 0.72 O ATOM 278 CB LYS A 21 -14.616 4.944 -14.641 1.00 0.53 C ATOM 279 CG LYS A 21 -13.178 4.450 -14.710 1.00 0.58 C ATOM 280 CD LYS A 21 -12.423 5.087 -15.873 1.00 0.71 C ATOM 281 CE LYS A 21 -10.911 5.029 -15.682 1.00 0.73 C ATOM 282 NZ LYS A 21 -10.457 5.785 -14.481 1.00 0.62 N ATOM 0 H LYS A 21 -15.427 6.582 -12.375 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.924 6.960 -14.858 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -15.149 4.384 -13.873 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -15.111 4.734 -15.589 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.668 4.680 -13.774 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -13.170 3.366 -14.820 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -12.690 4.578 -16.799 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.734 6.126 -15.980 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.599 3.988 -15.591 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -10.421 5.433 -16.568 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.678 6.421 -14.745 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -11.248 6.345 -14.104 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -10.128 5.118 -13.755 1.00 0.62 H new ATOM 296 N ASP A 22 -16.581 8.003 -14.173 1.00 0.49 N ATOM 297 CA ASP A 22 -17.834 8.615 -14.599 1.00 0.52 C ATOM 298 C ASP A 22 -17.678 10.122 -14.726 1.00 0.53 C ATOM 299 O ASP A 22 -18.506 10.792 -15.347 1.00 0.57 O ATOM 300 CB ASP A 22 -18.996 8.266 -13.655 1.00 0.51 C ATOM 301 CG ASP A 22 -18.669 8.463 -12.188 1.00 0.47 C ATOM 302 OD1 ASP A 22 -18.018 9.462 -11.833 1.00 0.47 O ATOM 303 OD2 ASP A 22 -19.048 7.610 -11.363 1.00 0.47 O ATOM 0 H ASP A 22 -16.167 8.414 -13.336 1.00 0.49 H new ATOM 0 HA ASP A 22 -18.079 8.205 -15.579 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.858 8.881 -13.912 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -19.285 7.228 -13.818 1.00 0.51 H new ATOM 308 N GLY A 23 -16.611 10.653 -14.151 1.00 0.52 N ATOM 309 CA GLY A 23 -16.364 12.071 -14.231 1.00 0.55 C ATOM 310 C GLY A 23 -17.065 12.850 -13.137 1.00 0.54 C ATOM 311 O GLY A 23 -17.168 14.076 -13.215 1.00 0.59 O ATOM 0 H GLY A 23 -15.912 10.124 -13.630 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -15.291 12.253 -14.170 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.695 12.439 -15.202 1.00 0.55 H new ATOM 315 N ASP A 24 -17.571 12.155 -12.128 1.00 0.50 N ATOM 316 CA ASP A 24 -18.250 12.824 -11.023 1.00 0.51 C ATOM 317 C ASP A 24 -17.253 13.205 -9.930 1.00 0.51 C ATOM 318 O ASP A 24 -17.413 14.234 -9.270 1.00 0.58 O ATOM 319 CB ASP A 24 -19.391 11.956 -10.463 1.00 0.50 C ATOM 320 CG ASP A 24 -19.098 11.367 -9.100 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.447 10.297 -9.035 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.512 11.971 -8.092 1.00 0.57 O ATOM 0 H ASP A 24 -17.526 11.139 -12.050 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.697 13.742 -11.405 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.297 12.559 -10.401 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.595 11.145 -11.163 1.00 0.50 H new ATOM 327 N GLY A 25 -16.221 12.388 -9.741 1.00 0.47 N ATOM 328 CA GLY A 25 -15.218 12.696 -8.739 1.00 0.50 C ATOM 329 C GLY A 25 -15.388 11.911 -7.456 1.00 0.50 C ATOM 330 O GLY A 25 -14.540 11.981 -6.565 1.00 0.74 O ATOM 0 H GLY A 25 -16.062 11.524 -10.260 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -14.229 12.494 -9.151 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.257 13.761 -8.512 1.00 0.50 H new ATOM 334 N THR A 26 -16.477 11.173 -7.343 1.00 0.41 N ATOM 335 CA THR A 26 -16.727 10.384 -6.155 1.00 0.39 C ATOM 336 C THR A 26 -16.520 8.905 -6.436 1.00 0.34 C ATOM 337 O THR A 26 -16.745 8.425 -7.552 1.00 0.37 O ATOM 338 CB THR A 26 -18.148 10.619 -5.609 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.485 12.004 -5.738 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.252 10.211 -4.146 1.00 0.46 C ATOM 0 H THR A 26 -17.200 11.105 -8.059 1.00 0.41 H new ATOM 0 HA THR A 26 -16.012 10.705 -5.397 1.00 0.39 H new ATOM 0 HB THR A 26 -18.840 10.007 -6.187 1.00 0.42 H new ATOM 0 HG1 THR A 26 -18.687 12.205 -6.675 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.267 10.389 -3.790 1.00 0.46 H new ATOM 0 HG22 THR A 26 -18.013 9.152 -4.046 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.551 10.799 -3.554 1.00 0.46 H new ATOM 348 N ILE A 27 -16.077 8.197 -5.418 1.00 0.33 N ATOM 349 CA ILE A 27 -15.822 6.780 -5.514 1.00 0.31 C ATOM 350 C ILE A 27 -17.101 5.976 -5.295 1.00 0.32 C ATOM 351 O ILE A 27 -17.730 6.069 -4.237 1.00 0.41 O ATOM 352 CB ILE A 27 -14.773 6.352 -4.463 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.350 6.647 -4.945 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.916 4.877 -4.140 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.538 7.492 -3.991 1.00 0.37 C ATOM 0 H ILE A 27 -15.884 8.593 -4.498 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.444 6.579 -6.516 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.954 6.933 -3.559 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.831 5.703 -5.109 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.402 7.154 -5.908 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.169 4.593 -3.398 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.913 4.687 -3.743 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.768 4.290 -5.047 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.543 7.655 -4.406 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -13.032 8.452 -3.845 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.452 6.979 -3.033 1.00 0.37 H new ATOM 367 N THR A 28 -17.501 5.205 -6.293 1.00 0.31 N ATOM 368 CA THR A 28 -18.671 4.363 -6.147 1.00 0.33 C ATOM 369 C THR A 28 -18.234 2.910 -6.055 1.00 0.32 C ATOM 370 O THR A 28 -17.037 2.614 -6.077 1.00 0.33 O ATOM 371 CB THR A 28 -19.691 4.541 -7.292 1.00 0.37 C ATOM 372 OG1 THR A 28 -19.087 4.237 -8.554 1.00 0.39 O ATOM 373 CG2 THR A 28 -20.240 5.959 -7.318 1.00 0.41 C ATOM 0 H THR A 28 -17.038 5.146 -7.200 1.00 0.31 H new ATOM 0 HA THR A 28 -19.179 4.667 -5.232 1.00 0.33 H new ATOM 0 HB THR A 28 -20.515 3.850 -7.113 1.00 0.37 H new ATOM 0 HG1 THR A 28 -18.290 4.794 -8.678 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.956 6.057 -8.134 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.736 6.174 -6.372 1.00 0.41 H new ATOM 0 HG23 THR A 28 -19.422 6.663 -7.467 1.00 0.41 H new ATOM 381 N THR A 29 -19.185 2.011 -5.968 1.00 0.32 N ATOM 382 CA THR A 29 -18.872 0.604 -5.857 1.00 0.34 C ATOM 383 C THR A 29 -18.588 0.014 -7.233 1.00 0.34 C ATOM 384 O THR A 29 -17.681 -0.801 -7.406 1.00 0.38 O ATOM 385 CB THR A 29 -20.035 -0.147 -5.195 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.394 0.517 -3.975 1.00 0.57 O ATOM 387 CG2 THR A 29 -19.673 -1.594 -4.907 1.00 0.60 C ATOM 0 H THR A 29 -20.182 2.227 -5.972 1.00 0.32 H new ATOM 0 HA THR A 29 -17.982 0.495 -5.238 1.00 0.34 H new ATOM 0 HB THR A 29 -20.880 -0.147 -5.884 1.00 0.38 H new ATOM 0 HG1 THR A 29 -21.138 0.041 -3.550 1.00 0.57 H new ATOM 0 HG21 THR A 29 -20.520 -2.095 -4.438 1.00 0.60 H new ATOM 0 HG22 THR A 29 -19.424 -2.099 -5.840 1.00 0.60 H new ATOM 0 HG23 THR A 29 -18.815 -1.628 -4.236 1.00 0.60 H new ATOM 395 N LYS A 30 -19.344 0.478 -8.214 1.00 0.35 N ATOM 396 CA LYS A 30 -19.208 0.005 -9.580 1.00 0.39 C ATOM 397 C LYS A 30 -17.850 0.393 -10.187 1.00 0.36 C ATOM 398 O LYS A 30 -17.288 -0.364 -10.982 1.00 0.37 O ATOM 399 CB LYS A 30 -20.339 0.577 -10.431 1.00 0.46 C ATOM 400 CG LYS A 30 -20.303 0.136 -11.887 1.00 0.74 C ATOM 401 CD LYS A 30 -20.523 1.311 -12.826 1.00 1.11 C ATOM 402 CE LYS A 30 -20.170 0.961 -14.265 1.00 1.68 C ATOM 403 NZ LYS A 30 -20.882 -0.253 -14.741 1.00 2.22 N ATOM 0 H LYS A 30 -20.065 1.189 -8.087 1.00 0.35 H new ATOM 0 HA LYS A 30 -19.264 -1.083 -9.567 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -21.293 0.280 -9.996 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -20.295 1.665 -10.391 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -19.342 -0.331 -12.104 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -21.070 -0.619 -12.060 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -21.565 1.627 -12.774 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -19.917 2.156 -12.499 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -20.418 1.802 -14.912 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -19.094 0.803 -14.345 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -20.759 -0.347 -15.769 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -20.491 -1.093 -14.268 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -21.895 -0.171 -14.519 1.00 2.22 H new ATOM 417 N GLU A 31 -17.312 1.542 -9.781 1.00 0.37 N ATOM 418 CA GLU A 31 -16.046 2.021 -10.329 1.00 0.37 C ATOM 419 C GLU A 31 -14.872 1.200 -9.809 1.00 0.36 C ATOM 420 O GLU A 31 -14.079 0.668 -10.588 1.00 0.38 O ATOM 421 CB GLU A 31 -15.862 3.497 -9.994 1.00 0.37 C ATOM 422 CG GLU A 31 -16.823 4.405 -10.739 1.00 0.42 C ATOM 423 CD GLU A 31 -16.802 5.829 -10.234 1.00 0.40 C ATOM 424 OE1 GLU A 31 -17.266 6.080 -9.104 1.00 0.39 O ATOM 425 OE2 GLU A 31 -16.358 6.722 -10.972 1.00 0.42 O ATOM 0 H GLU A 31 -17.730 2.154 -9.080 1.00 0.37 H new ATOM 0 HA GLU A 31 -16.074 1.904 -11.412 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.996 3.639 -8.922 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.839 3.791 -10.229 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.572 4.398 -11.800 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.834 4.008 -10.648 1.00 0.42 H new ATOM 432 N LEU A 32 -14.767 1.097 -8.489 1.00 0.35 N ATOM 433 CA LEU A 32 -13.683 0.345 -7.866 1.00 0.35 C ATOM 434 C LEU A 32 -13.811 -1.133 -8.222 1.00 0.36 C ATOM 435 O LEU A 32 -12.808 -1.821 -8.428 1.00 0.38 O ATOM 436 CB LEU A 32 -13.687 0.550 -6.342 1.00 0.35 C ATOM 437 CG LEU A 32 -12.982 1.823 -5.836 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.468 3.051 -6.588 1.00 0.50 C ATOM 439 CD2 LEU A 32 -13.201 2.005 -4.340 1.00 0.44 C ATOM 0 H LEU A 32 -15.418 1.524 -7.830 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.730 0.713 -8.246 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.722 0.570 -6.000 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -13.214 -0.314 -5.877 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.914 1.706 -6.020 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.954 3.935 -6.211 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -13.257 2.934 -7.651 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.542 3.166 -6.442 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.694 2.910 -4.006 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -14.268 2.091 -4.136 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.798 1.145 -3.806 1.00 0.44 H new ATOM 451 N GLY A 33 -15.057 -1.606 -8.327 1.00 0.39 N ATOM 452 CA GLY A 33 -15.312 -2.989 -8.692 1.00 0.42 C ATOM 453 C GLY A 33 -14.699 -3.316 -10.035 1.00 0.46 C ATOM 454 O GLY A 33 -14.141 -4.393 -10.233 1.00 0.50 O ATOM 0 H GLY A 33 -15.896 -1.049 -8.164 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.902 -3.652 -7.930 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -16.387 -3.168 -8.725 1.00 0.42 H new ATOM 458 N THR A 34 -14.810 -2.364 -10.952 1.00 0.46 N ATOM 459 CA THR A 34 -14.248 -2.494 -12.286 1.00 0.52 C ATOM 460 C THR A 34 -12.733 -2.720 -12.223 1.00 0.53 C ATOM 461 O THR A 34 -12.205 -3.653 -12.836 1.00 0.56 O ATOM 462 CB THR A 34 -14.535 -1.227 -13.123 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.949 -1.059 -13.309 1.00 0.58 O ATOM 464 CG2 THR A 34 -13.841 -1.288 -14.478 1.00 0.60 C ATOM 0 H THR A 34 -15.293 -1.480 -10.790 1.00 0.46 H new ATOM 0 HA THR A 34 -14.719 -3.356 -12.758 1.00 0.52 H new ATOM 0 HB THR A 34 -14.140 -0.372 -12.574 1.00 0.54 H new ATOM 0 HG1 THR A 34 -16.362 -0.801 -12.459 1.00 0.58 H new ATOM 0 HG21 THR A 34 -14.063 -0.382 -15.042 1.00 0.60 H new ATOM 0 HG22 THR A 34 -12.764 -1.369 -14.332 1.00 0.60 H new ATOM 0 HG23 THR A 34 -14.199 -2.156 -15.031 1.00 0.60 H new ATOM 472 N VAL A 35 -12.041 -1.874 -11.463 1.00 0.53 N ATOM 473 CA VAL A 35 -10.589 -1.976 -11.321 1.00 0.55 C ATOM 474 C VAL A 35 -10.211 -3.293 -10.644 1.00 0.57 C ATOM 475 O VAL A 35 -9.233 -3.944 -11.016 1.00 0.58 O ATOM 476 CB VAL A 35 -10.020 -0.789 -10.505 1.00 0.58 C ATOM 477 CG1 VAL A 35 -8.497 -0.786 -10.533 1.00 0.63 C ATOM 478 CG2 VAL A 35 -10.563 0.535 -11.024 1.00 0.60 C ATOM 0 H VAL A 35 -12.462 -1.109 -10.935 1.00 0.53 H new ATOM 0 HA VAL A 35 -10.156 -1.947 -12.321 1.00 0.55 H new ATOM 0 HB VAL A 35 -10.342 -0.912 -9.471 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -8.124 0.058 -9.952 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -8.123 -1.716 -10.103 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -8.152 -0.698 -11.563 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -10.149 1.354 -10.435 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -10.279 0.660 -12.069 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -11.650 0.541 -10.940 1.00 0.60 H new ATOM 488 N MET A 36 -11.027 -3.697 -9.672 1.00 0.58 N ATOM 489 CA MET A 36 -10.804 -4.939 -8.928 1.00 0.62 C ATOM 490 C MET A 36 -11.039 -6.158 -9.819 1.00 0.62 C ATOM 491 O MET A 36 -10.609 -7.269 -9.507 1.00 0.67 O ATOM 492 CB MET A 36 -11.716 -4.998 -7.696 1.00 0.65 C ATOM 493 CG MET A 36 -11.084 -5.685 -6.495 1.00 0.82 C ATOM 494 SD MET A 36 -12.279 -6.082 -5.198 1.00 0.92 S ATOM 495 CE MET A 36 -13.120 -4.511 -4.992 1.00 1.07 C ATOM 0 H MET A 36 -11.855 -3.179 -9.378 1.00 0.58 H new ATOM 0 HA MET A 36 -9.766 -4.952 -8.596 1.00 0.62 H new ATOM 0 HB2 MET A 36 -11.998 -3.983 -7.415 1.00 0.65 H new ATOM 0 HB3 MET A 36 -12.634 -5.522 -7.960 1.00 0.65 H new ATOM 0 HG2 MET A 36 -10.595 -6.602 -6.824 1.00 0.82 H new ATOM 0 HG3 MET A 36 -10.308 -5.041 -6.082 1.00 0.82 H new ATOM 0 HE1 MET A 36 -13.784 -4.564 -4.129 1.00 1.07 H new ATOM 0 HE2 MET A 36 -12.384 -3.722 -4.835 1.00 1.07 H new ATOM 0 HE3 MET A 36 -13.703 -4.291 -5.886 1.00 1.07 H new ATOM 505 N ARG A 37 -11.668 -5.921 -10.956 1.00 0.60 N ATOM 506 CA ARG A 37 -11.957 -6.984 -11.908 1.00 0.63 C ATOM 507 C ARG A 37 -10.746 -7.194 -12.800 1.00 0.65 C ATOM 508 O ARG A 37 -10.355 -8.323 -13.108 1.00 0.68 O ATOM 509 CB ARG A 37 -13.183 -6.641 -12.757 1.00 0.64 C ATOM 510 CG ARG A 37 -13.461 -7.653 -13.862 1.00 0.72 C ATOM 511 CD ARG A 37 -13.848 -6.972 -15.161 1.00 0.83 C ATOM 512 NE ARG A 37 -12.869 -5.960 -15.553 1.00 0.86 N ATOM 513 CZ ARG A 37 -13.116 -4.977 -16.411 1.00 1.25 C ATOM 514 NH1 ARG A 37 -14.322 -4.849 -16.951 1.00 1.82 N ATOM 515 NH2 ARG A 37 -12.150 -4.122 -16.725 1.00 1.32 N ATOM 0 H ARG A 37 -11.991 -4.998 -11.246 1.00 0.60 H new ATOM 0 HA ARG A 37 -12.176 -7.900 -11.360 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -14.057 -6.574 -12.109 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -13.042 -5.657 -13.204 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -12.576 -8.268 -14.023 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -14.262 -8.323 -13.549 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -13.936 -7.718 -15.951 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -14.828 -6.507 -15.050 1.00 0.83 H new ATOM 0 HE ARG A 37 -11.937 -6.012 -15.142 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -15.062 -5.507 -16.707 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -14.508 -4.093 -17.610 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -11.225 -4.222 -16.308 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -12.333 -3.365 -17.383 1.00 1.32 H new ATOM 529 N SER A 38 -10.140 -6.082 -13.210 1.00 0.64 N ATOM 530 CA SER A 38 -8.960 -6.107 -14.061 1.00 0.68 C ATOM 531 C SER A 38 -7.744 -6.633 -13.290 1.00 0.66 C ATOM 532 O SER A 38 -6.701 -6.942 -13.875 1.00 0.69 O ATOM 533 CB SER A 38 -8.680 -4.702 -14.600 1.00 0.70 C ATOM 534 OG SER A 38 -9.891 -4.033 -14.918 1.00 0.80 O ATOM 0 H SER A 38 -10.454 -5.144 -12.961 1.00 0.64 H new ATOM 0 HA SER A 38 -9.148 -6.780 -14.898 1.00 0.68 H new ATOM 0 HB2 SER A 38 -8.126 -4.127 -13.858 1.00 0.70 H new ATOM 0 HB3 SER A 38 -8.051 -4.767 -15.488 1.00 0.70 H new ATOM 0 HG SER A 38 -9.690 -3.137 -15.259 1.00 0.80 H new ATOM 540 N LEU A 39 -7.899 -6.750 -11.979 1.00 0.66 N ATOM 541 CA LEU A 39 -6.841 -7.252 -11.114 1.00 0.67 C ATOM 542 C LEU A 39 -6.803 -8.773 -11.149 1.00 0.73 C ATOM 543 O LEU A 39 -5.867 -9.391 -10.645 1.00 0.86 O ATOM 544 CB LEU A 39 -7.066 -6.783 -9.673 1.00 0.62 C ATOM 545 CG LEU A 39 -6.798 -5.296 -9.418 1.00 0.58 C ATOM 546 CD1 LEU A 39 -7.093 -4.936 -7.968 1.00 0.60 C ATOM 547 CD2 LEU A 39 -5.359 -4.954 -9.758 1.00 0.57 C ATOM 0 H LEU A 39 -8.757 -6.501 -11.487 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.890 -6.862 -11.476 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -8.097 -7.002 -9.394 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -6.426 -7.369 -9.014 1.00 0.62 H new ATOM 0 HG LEU A 39 -7.460 -4.715 -10.060 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -6.896 -3.876 -7.809 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -8.139 -5.148 -7.746 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -6.456 -5.526 -7.310 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -5.183 -3.894 -9.572 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -4.688 -5.548 -9.138 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -5.171 -5.174 -10.809 1.00 0.57 H new ATOM 559 N GLY A 40 -7.828 -9.363 -11.744 1.00 0.74 N ATOM 560 CA GLY A 40 -7.912 -10.805 -11.823 1.00 0.82 C ATOM 561 C GLY A 40 -8.806 -11.356 -10.740 1.00 0.79 C ATOM 562 O GLY A 40 -8.701 -12.519 -10.361 1.00 0.89 O ATOM 0 H GLY A 40 -8.607 -8.865 -12.176 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -8.297 -11.097 -12.800 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -6.915 -11.236 -11.731 1.00 0.82 H new ATOM 566 N GLN A 41 -9.692 -10.508 -10.245 1.00 0.80 N ATOM 567 CA GLN A 41 -10.608 -10.891 -9.191 1.00 0.79 C ATOM 568 C GLN A 41 -12.047 -10.713 -9.649 1.00 0.77 C ATOM 569 O GLN A 41 -12.326 -9.953 -10.574 1.00 0.92 O ATOM 570 CB GLN A 41 -10.350 -10.063 -7.934 1.00 0.82 C ATOM 571 CG GLN A 41 -9.063 -10.428 -7.211 1.00 0.93 C ATOM 572 CD GLN A 41 -8.963 -9.778 -5.845 1.00 1.02 C ATOM 573 OE1 GLN A 41 -9.417 -10.333 -4.847 1.00 1.25 O ATOM 574 NE2 GLN A 41 -8.367 -8.597 -5.789 1.00 1.23 N ATOM 0 H GLN A 41 -9.794 -9.544 -10.561 1.00 0.80 H new ATOM 0 HA GLN A 41 -10.443 -11.943 -8.956 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -10.316 -9.008 -8.206 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -11.189 -10.189 -7.249 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -9.006 -11.511 -7.100 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -8.210 -10.125 -7.818 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -8.003 -8.169 -6.640 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -8.272 -8.116 -4.895 1.00 1.23 H new ATOM 583 N ASN A 42 -12.950 -11.418 -8.993 1.00 0.69 N ATOM 584 CA ASN A 42 -14.364 -11.355 -9.326 1.00 0.69 C ATOM 585 C ASN A 42 -15.189 -11.307 -8.045 1.00 0.65 C ATOM 586 O ASN A 42 -15.682 -12.331 -7.572 1.00 0.74 O ATOM 587 CB ASN A 42 -14.746 -12.570 -10.177 1.00 0.76 C ATOM 588 CG ASN A 42 -16.151 -12.485 -10.745 1.00 1.02 C ATOM 589 OD1 ASN A 42 -16.837 -13.499 -10.886 1.00 1.37 O ATOM 590 ND2 ASN A 42 -16.583 -11.285 -11.096 1.00 1.33 N ATOM 0 H ASN A 42 -12.728 -12.046 -8.220 1.00 0.69 H new ATOM 0 HA ASN A 42 -14.568 -10.452 -9.902 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -14.035 -12.669 -10.997 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -14.660 -13.472 -9.570 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -17.514 -11.176 -11.499 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -15.986 -10.469 -10.964 1.00 1.33 H new ATOM 597 N PRO A 43 -15.336 -10.111 -7.458 1.00 0.60 N ATOM 598 CA PRO A 43 -16.070 -9.931 -6.218 1.00 0.61 C ATOM 599 C PRO A 43 -17.555 -9.694 -6.445 1.00 0.56 C ATOM 600 O PRO A 43 -17.962 -9.139 -7.464 1.00 0.55 O ATOM 601 CB PRO A 43 -15.419 -8.685 -5.616 1.00 0.65 C ATOM 602 CG PRO A 43 -14.829 -7.921 -6.762 1.00 0.74 C ATOM 603 CD PRO A 43 -14.829 -8.827 -7.970 1.00 0.66 C ATOM 0 HA PRO A 43 -16.023 -10.815 -5.582 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -16.154 -8.081 -5.084 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -14.649 -8.959 -4.894 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -15.410 -7.020 -6.960 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.815 -7.600 -6.525 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -15.466 -8.434 -8.762 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -13.828 -8.932 -8.389 1.00 0.66 H new ATOM 611 N THR A 44 -18.362 -10.133 -5.503 1.00 0.58 N ATOM 612 CA THR A 44 -19.790 -9.947 -5.592 1.00 0.58 C ATOM 613 C THR A 44 -20.252 -8.852 -4.629 1.00 0.52 C ATOM 614 O THR A 44 -19.428 -8.214 -3.977 1.00 0.49 O ATOM 615 CB THR A 44 -20.543 -11.255 -5.297 1.00 0.67 C ATOM 616 OG1 THR A 44 -19.609 -12.308 -5.016 1.00 0.91 O ATOM 617 CG2 THR A 44 -21.409 -11.641 -6.485 1.00 1.04 C ATOM 0 H THR A 44 -18.050 -10.623 -4.665 1.00 0.58 H new ATOM 0 HA THR A 44 -20.019 -9.642 -6.613 1.00 0.58 H new ATOM 0 HB THR A 44 -21.181 -11.102 -4.427 1.00 0.67 H new ATOM 0 HG1 THR A 44 -20.097 -13.137 -4.828 1.00 0.91 H new ATOM 0 HG21 THR A 44 -21.937 -12.569 -6.264 1.00 1.04 H new ATOM 0 HG22 THR A 44 -22.132 -10.849 -6.680 1.00 1.04 H new ATOM 0 HG23 THR A 44 -20.779 -11.782 -7.364 1.00 1.04 H new ATOM 625 N GLU A 45 -21.562 -8.653 -4.570 1.00 0.53 N ATOM 626 CA GLU A 45 -22.187 -7.643 -3.710 1.00 0.54 C ATOM 627 C GLU A 45 -21.660 -7.670 -2.263 1.00 0.50 C ATOM 628 O GLU A 45 -21.582 -6.626 -1.621 1.00 0.54 O ATOM 629 CB GLU A 45 -23.702 -7.846 -3.707 1.00 0.62 C ATOM 630 CG GLU A 45 -24.472 -6.763 -4.447 1.00 0.97 C ATOM 631 CD GLU A 45 -24.435 -5.421 -3.741 1.00 1.50 C ATOM 632 OE1 GLU A 45 -24.434 -5.397 -2.494 1.00 1.89 O ATOM 633 OE2 GLU A 45 -24.422 -4.383 -4.434 1.00 2.18 O ATOM 0 H GLU A 45 -22.231 -9.190 -5.121 1.00 0.53 H new ATOM 0 HA GLU A 45 -21.928 -6.668 -4.123 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.930 -8.812 -4.158 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -24.051 -7.885 -2.675 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -24.058 -6.651 -5.449 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -25.509 -7.078 -4.563 1.00 0.97 H new ATOM 640 N ALA A 46 -21.278 -8.842 -1.772 1.00 0.51 N ATOM 641 CA ALA A 46 -20.789 -8.958 -0.395 1.00 0.54 C ATOM 642 C ALA A 46 -19.390 -8.382 -0.261 1.00 0.50 C ATOM 643 O ALA A 46 -19.093 -7.636 0.670 1.00 0.51 O ATOM 644 CB ALA A 46 -20.800 -10.407 0.064 1.00 0.63 C ATOM 0 H ALA A 46 -21.295 -9.718 -2.295 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.462 -8.384 0.242 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -20.433 -10.467 1.089 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -21.818 -10.795 0.020 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.157 -11.000 -0.587 1.00 0.63 H new ATOM 650 N GLU A 47 -18.532 -8.729 -1.207 1.00 0.49 N ATOM 651 CA GLU A 47 -17.148 -8.273 -1.202 1.00 0.51 C ATOM 652 C GLU A 47 -17.067 -6.818 -1.634 1.00 0.49 C ATOM 653 O GLU A 47 -16.335 -6.022 -1.049 1.00 0.51 O ATOM 654 CB GLU A 47 -16.287 -9.128 -2.130 1.00 0.56 C ATOM 655 CG GLU A 47 -16.428 -10.625 -1.903 1.00 0.73 C ATOM 656 CD GLU A 47 -17.440 -11.274 -2.826 1.00 0.95 C ATOM 657 OE1 GLU A 47 -18.644 -10.977 -2.705 1.00 1.57 O ATOM 658 OE2 GLU A 47 -17.030 -12.078 -3.691 1.00 1.28 O ATOM 0 H GLU A 47 -18.771 -9.330 -1.995 1.00 0.49 H new ATOM 0 HA GLU A 47 -16.770 -8.369 -0.184 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.550 -8.902 -3.163 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -15.242 -8.848 -1.999 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -15.458 -11.101 -2.045 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -16.722 -10.803 -0.869 1.00 0.73 H new ATOM 665 N LEU A 48 -17.840 -6.486 -2.662 1.00 0.47 N ATOM 666 CA LEU A 48 -17.892 -5.130 -3.187 1.00 0.50 C ATOM 667 C LEU A 48 -18.336 -4.148 -2.108 1.00 0.48 C ATOM 668 O LEU A 48 -18.021 -2.964 -2.174 1.00 0.53 O ATOM 669 CB LEU A 48 -18.850 -5.046 -4.379 1.00 0.53 C ATOM 670 CG LEU A 48 -18.313 -5.567 -5.717 1.00 0.57 C ATOM 671 CD1 LEU A 48 -19.399 -5.478 -6.773 1.00 0.64 C ATOM 672 CD2 LEU A 48 -17.097 -4.777 -6.173 1.00 0.62 C ATOM 0 H LEU A 48 -18.444 -7.146 -3.151 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.888 -4.864 -3.518 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.754 -5.603 -4.132 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -19.144 -4.004 -4.510 1.00 0.53 H new ATOM 0 HG LEU A 48 -18.012 -6.605 -5.578 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -19.014 -5.849 -7.723 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -20.254 -6.081 -6.467 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -19.710 -4.440 -6.888 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -16.742 -5.173 -7.125 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -17.369 -3.729 -6.295 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -16.307 -4.863 -5.427 1.00 0.62 H new ATOM 684 N GLN A 49 -19.069 -4.640 -1.112 1.00 0.48 N ATOM 685 CA GLN A 49 -19.523 -3.781 -0.026 1.00 0.50 C ATOM 686 C GLN A 49 -18.483 -3.763 1.085 1.00 0.49 C ATOM 687 O GLN A 49 -18.282 -2.749 1.746 1.00 0.49 O ATOM 688 CB GLN A 49 -20.877 -4.245 0.507 1.00 0.57 C ATOM 689 CG GLN A 49 -21.980 -3.215 0.309 1.00 0.73 C ATOM 690 CD GLN A 49 -21.979 -2.614 -1.087 1.00 0.98 C ATOM 691 OE1 GLN A 49 -21.286 -1.626 -1.343 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.755 -3.184 -1.999 1.00 1.26 N ATOM 0 H GLN A 49 -19.357 -5.615 -1.036 1.00 0.48 H new ATOM 0 HA GLN A 49 -19.648 -2.768 -0.409 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -21.159 -5.172 0.008 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -20.785 -4.471 1.569 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -22.946 -3.683 0.498 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.863 -2.418 1.043 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -23.315 -4.000 -1.754 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -22.791 -2.806 -2.946 1.00 1.26 H new ATOM 701 N ASP A 50 -17.814 -4.900 1.265 1.00 0.50 N ATOM 702 CA ASP A 50 -16.765 -5.044 2.280 1.00 0.53 C ATOM 703 C ASP A 50 -15.669 -4.008 2.072 1.00 0.50 C ATOM 704 O ASP A 50 -15.214 -3.368 3.024 1.00 0.53 O ATOM 705 CB ASP A 50 -16.171 -6.458 2.225 1.00 0.58 C ATOM 706 CG ASP A 50 -15.052 -6.675 3.227 1.00 0.81 C ATOM 707 OD1 ASP A 50 -13.891 -6.325 2.923 1.00 1.38 O ATOM 708 OD2 ASP A 50 -15.326 -7.218 4.319 1.00 0.90 O ATOM 0 H ASP A 50 -17.980 -5.744 0.717 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.210 -4.882 3.262 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -16.962 -7.185 2.410 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -15.793 -6.647 1.221 1.00 0.58 H new ATOM 713 N MET A 51 -15.261 -3.837 0.819 1.00 0.47 N ATOM 714 CA MET A 51 -14.230 -2.870 0.473 1.00 0.47 C ATOM 715 C MET A 51 -14.671 -1.457 0.855 1.00 0.44 C ATOM 716 O MET A 51 -13.895 -0.688 1.430 1.00 0.46 O ATOM 717 CB MET A 51 -13.914 -2.948 -1.023 1.00 0.49 C ATOM 718 CG MET A 51 -12.987 -4.093 -1.392 1.00 0.54 C ATOM 719 SD MET A 51 -11.428 -4.018 -0.489 1.00 0.88 S ATOM 720 CE MET A 51 -10.329 -4.936 -1.567 1.00 1.38 C ATOM 0 H MET A 51 -15.631 -4.359 0.025 1.00 0.47 H new ATOM 0 HA MET A 51 -13.326 -3.109 1.033 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.847 -3.054 -1.577 1.00 0.49 H new ATOM 0 HB3 MET A 51 -13.460 -2.009 -1.339 1.00 0.49 H new ATOM 0 HG2 MET A 51 -13.482 -5.042 -1.183 1.00 0.54 H new ATOM 0 HG3 MET A 51 -12.787 -4.067 -2.463 1.00 0.54 H new ATOM 0 HE1 MET A 51 -9.332 -4.967 -1.129 1.00 1.38 H new ATOM 0 HE2 MET A 51 -10.704 -5.952 -1.688 1.00 1.38 H new ATOM 0 HE3 MET A 51 -10.283 -4.448 -2.540 1.00 1.38 H new ATOM 730 N ILE A 52 -15.917 -1.133 0.534 1.00 0.42 N ATOM 731 CA ILE A 52 -16.497 0.172 0.845 1.00 0.43 C ATOM 732 C ILE A 52 -16.685 0.357 2.357 1.00 0.46 C ATOM 733 O ILE A 52 -16.339 1.397 2.907 1.00 0.46 O ATOM 734 CB ILE A 52 -17.876 0.344 0.157 1.00 0.43 C ATOM 735 CG1 ILE A 52 -17.785 0.054 -1.344 1.00 0.43 C ATOM 736 CG2 ILE A 52 -18.438 1.739 0.386 1.00 0.48 C ATOM 737 CD1 ILE A 52 -16.797 0.931 -2.085 1.00 0.48 C ATOM 0 H ILE A 52 -16.555 -1.765 0.051 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.800 0.922 0.472 1.00 0.43 H new ATOM 0 HB ILE A 52 -18.555 -0.379 0.609 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -17.505 -0.990 -1.485 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -18.772 0.182 -1.788 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -19.405 1.827 -0.109 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -18.561 1.911 1.455 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -17.752 2.480 -0.024 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -16.793 0.662 -3.141 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -17.087 1.976 -1.978 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -15.800 0.786 -1.670 1.00 0.48 H new ATOM 749 N ASN A 53 -17.233 -0.666 3.004 1.00 0.52 N ATOM 750 CA ASN A 53 -17.511 -0.655 4.447 1.00 0.59 C ATOM 751 C ASN A 53 -16.265 -0.368 5.287 1.00 0.61 C ATOM 752 O ASN A 53 -16.359 0.235 6.352 1.00 0.66 O ATOM 753 CB ASN A 53 -18.127 -2.000 4.848 1.00 0.68 C ATOM 754 CG ASN A 53 -18.672 -2.021 6.265 1.00 1.02 C ATOM 755 OD1 ASN A 53 -19.807 -1.614 6.508 1.00 1.29 O ATOM 756 ND2 ASN A 53 -17.882 -2.514 7.203 1.00 1.40 N ATOM 0 H ASN A 53 -17.501 -1.536 2.544 1.00 0.52 H new ATOM 0 HA ASN A 53 -18.211 0.156 4.646 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.932 -2.242 4.154 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -17.373 -2.780 4.746 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -18.208 -2.567 8.168 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -16.947 -2.842 6.962 1.00 1.40 H new ATOM 763 N GLU A 54 -15.107 -0.819 4.822 1.00 0.61 N ATOM 764 CA GLU A 54 -13.860 -0.588 5.545 1.00 0.66 C ATOM 765 C GLU A 54 -13.567 0.913 5.628 1.00 0.61 C ATOM 766 O GLU A 54 -13.006 1.398 6.616 1.00 0.71 O ATOM 767 CB GLU A 54 -12.700 -1.348 4.880 1.00 0.73 C ATOM 768 CG GLU A 54 -11.333 -1.064 5.490 1.00 1.31 C ATOM 769 CD GLU A 54 -10.553 -0.036 4.698 1.00 2.20 C ATOM 770 OE1 GLU A 54 -10.727 0.018 3.464 1.00 2.70 O ATOM 771 OE2 GLU A 54 -9.771 0.724 5.309 1.00 2.84 O ATOM 0 H GLU A 54 -15.004 -1.344 3.953 1.00 0.61 H new ATOM 0 HA GLU A 54 -13.966 -0.969 6.561 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -12.898 -2.418 4.944 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -12.673 -1.091 3.821 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -11.460 -0.711 6.513 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -10.761 -1.990 5.541 1.00 1.31 H new ATOM 778 N VAL A 55 -13.988 1.642 4.611 1.00 0.51 N ATOM 779 CA VAL A 55 -13.783 3.079 4.558 1.00 0.47 C ATOM 780 C VAL A 55 -14.977 3.823 5.149 1.00 0.44 C ATOM 781 O VAL A 55 -14.817 4.787 5.905 1.00 0.51 O ATOM 782 CB VAL A 55 -13.585 3.541 3.103 1.00 0.49 C ATOM 783 CG1 VAL A 55 -13.010 4.948 3.050 1.00 0.82 C ATOM 784 CG2 VAL A 55 -12.707 2.551 2.349 1.00 0.59 C ATOM 0 H VAL A 55 -14.479 1.259 3.803 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.891 3.305 5.143 1.00 0.47 H new ATOM 0 HB VAL A 55 -14.558 3.571 2.614 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -12.880 5.249 2.010 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.692 5.639 3.546 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -12.045 4.966 3.556 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -12.576 2.890 1.322 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -11.734 2.483 2.836 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -13.182 1.570 2.349 1.00 0.59 H new ATOM 794 N ASP A 56 -16.168 3.348 4.802 1.00 0.48 N ATOM 795 CA ASP A 56 -17.423 3.955 5.243 1.00 0.47 C ATOM 796 C ASP A 56 -17.616 3.872 6.750 1.00 0.50 C ATOM 797 O ASP A 56 -17.533 2.800 7.348 1.00 0.55 O ATOM 798 CB ASP A 56 -18.608 3.288 4.538 1.00 0.48 C ATOM 799 CG ASP A 56 -19.825 4.187 4.487 1.00 0.47 C ATOM 800 OD1 ASP A 56 -19.912 5.017 3.558 1.00 0.48 O ATOM 801 OD2 ASP A 56 -20.710 4.060 5.355 1.00 0.53 O ATOM 0 H ASP A 56 -16.293 2.530 4.206 1.00 0.48 H new ATOM 0 HA ASP A 56 -17.374 5.011 4.976 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -18.318 3.015 3.523 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.863 2.364 5.056 1.00 0.48 H new ATOM 806 N ALA A 57 -17.873 5.018 7.353 1.00 0.55 N ATOM 807 CA ALA A 57 -18.101 5.101 8.783 1.00 0.60 C ATOM 808 C ALA A 57 -19.301 5.996 9.072 1.00 0.62 C ATOM 809 O ALA A 57 -19.760 6.095 10.210 1.00 0.67 O ATOM 810 CB ALA A 57 -16.853 5.607 9.497 1.00 0.68 C ATOM 0 H ALA A 57 -17.929 5.913 6.868 1.00 0.55 H new ATOM 0 HA ALA A 57 -18.320 4.103 9.163 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -17.044 5.662 10.569 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -16.025 4.923 9.311 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -16.596 6.598 9.123 1.00 0.68 H new ATOM 816 N ASP A 58 -19.806 6.651 8.027 1.00 0.60 N ATOM 817 CA ASP A 58 -20.963 7.534 8.160 1.00 0.65 C ATOM 818 C ASP A 58 -22.262 6.739 8.018 1.00 0.66 C ATOM 819 O ASP A 58 -23.349 7.248 8.292 1.00 0.73 O ATOM 820 CB ASP A 58 -20.898 8.693 7.145 1.00 0.66 C ATOM 821 CG ASP A 58 -21.517 8.384 5.793 1.00 0.64 C ATOM 822 OD1 ASP A 58 -21.005 7.497 5.079 1.00 0.61 O ATOM 823 OD2 ASP A 58 -22.495 9.063 5.423 1.00 0.74 O ATOM 0 H ASP A 58 -19.432 6.587 7.080 1.00 0.60 H new ATOM 0 HA ASP A 58 -20.945 7.975 9.157 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -21.402 9.561 7.571 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -19.855 8.971 6.997 1.00 0.66 H new ATOM 828 N GLY A 59 -22.133 5.478 7.606 1.00 0.62 N ATOM 829 CA GLY A 59 -23.285 4.607 7.460 1.00 0.64 C ATOM 830 C GLY A 59 -24.107 4.902 6.222 1.00 0.67 C ATOM 831 O GLY A 59 -25.342 4.899 6.270 1.00 0.90 O ATOM 0 H GLY A 59 -21.241 5.043 7.369 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.947 3.571 7.425 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.920 4.705 8.341 1.00 0.64 H new ATOM 835 N ASN A 60 -23.428 5.143 5.111 1.00 0.57 N ATOM 836 CA ASN A 60 -24.104 5.439 3.851 1.00 0.58 C ATOM 837 C ASN A 60 -23.709 4.420 2.781 1.00 0.55 C ATOM 838 O ASN A 60 -24.445 4.196 1.817 1.00 0.60 O ATOM 839 CB ASN A 60 -23.797 6.880 3.395 1.00 0.59 C ATOM 840 CG ASN A 60 -22.869 6.963 2.195 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.640 7.022 2.335 1.00 0.52 O ATOM 842 ND2 ASN A 60 -23.451 6.984 1.006 1.00 0.58 N ATOM 0 H ASN A 60 -22.410 5.140 5.053 1.00 0.57 H new ATOM 0 HA ASN A 60 -25.180 5.363 4.006 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.734 7.381 3.152 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -23.350 7.426 4.226 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.883 7.051 0.161 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -24.467 6.933 0.935 1.00 0.58 H new ATOM 849 N GLY A 61 -22.548 3.800 2.966 1.00 0.51 N ATOM 850 CA GLY A 61 -22.065 2.811 2.018 1.00 0.51 C ATOM 851 C GLY A 61 -21.481 3.436 0.759 1.00 0.49 C ATOM 852 O GLY A 61 -21.828 3.040 -0.353 1.00 0.52 O ATOM 0 H GLY A 61 -21.930 3.966 3.760 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -21.305 2.195 2.498 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.885 2.148 1.742 1.00 0.51 H new ATOM 856 N THR A 62 -20.597 4.418 0.936 1.00 0.46 N ATOM 857 CA THR A 62 -19.944 5.107 -0.184 1.00 0.45 C ATOM 858 C THR A 62 -18.681 5.838 0.288 1.00 0.42 C ATOM 859 O THR A 62 -18.713 6.539 1.302 1.00 0.45 O ATOM 860 CB THR A 62 -20.885 6.141 -0.859 1.00 0.50 C ATOM 861 OG1 THR A 62 -22.147 5.542 -1.182 1.00 0.57 O ATOM 862 CG2 THR A 62 -20.264 6.718 -2.128 1.00 0.57 C ATOM 0 H THR A 62 -20.312 4.759 1.854 1.00 0.46 H new ATOM 0 HA THR A 62 -19.684 4.337 -0.911 1.00 0.45 H new ATOM 0 HB THR A 62 -21.037 6.951 -0.145 1.00 0.50 H new ATOM 0 HG1 THR A 62 -22.033 4.574 -1.283 1.00 0.57 H new ATOM 0 HG21 THR A 62 -20.950 7.438 -2.574 1.00 0.57 H new ATOM 0 HG22 THR A 62 -19.326 7.216 -1.880 1.00 0.57 H new ATOM 0 HG23 THR A 62 -20.071 5.913 -2.837 1.00 0.57 H new ATOM 870 N ILE A 63 -17.577 5.652 -0.443 1.00 0.40 N ATOM 871 CA ILE A 63 -16.302 6.307 -0.126 1.00 0.37 C ATOM 872 C ILE A 63 -16.417 7.800 -0.441 1.00 0.40 C ATOM 873 O ILE A 63 -16.331 8.206 -1.603 1.00 0.44 O ATOM 874 CB ILE A 63 -15.128 5.680 -0.941 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.974 4.186 -0.619 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.806 6.408 -0.714 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.585 3.642 -0.892 1.00 0.46 C ATOM 0 H ILE A 63 -17.541 5.049 -1.265 1.00 0.40 H new ATOM 0 HA ILE A 63 -16.087 6.164 0.933 1.00 0.37 H new ATOM 0 HB ILE A 63 -15.384 5.792 -1.994 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -15.218 4.023 0.431 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.698 3.621 -1.206 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -13.023 5.932 -1.304 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.907 7.450 -1.019 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.543 6.363 0.343 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.554 2.582 -0.641 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.344 3.772 -1.947 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.857 4.181 -0.285 1.00 0.46 H new ATOM 889 N ASP A 64 -16.638 8.608 0.589 1.00 0.41 N ATOM 890 CA ASP A 64 -16.807 10.049 0.410 1.00 0.45 C ATOM 891 C ASP A 64 -15.591 10.832 0.897 1.00 0.45 C ATOM 892 O ASP A 64 -14.603 10.250 1.349 1.00 0.42 O ATOM 893 CB ASP A 64 -18.079 10.538 1.122 1.00 0.49 C ATOM 894 CG ASP A 64 -18.242 9.975 2.525 1.00 0.49 C ATOM 895 OD1 ASP A 64 -17.349 10.185 3.364 1.00 0.49 O ATOM 896 OD2 ASP A 64 -19.278 9.310 2.786 1.00 0.52 O ATOM 0 H ASP A 64 -16.705 8.293 1.557 1.00 0.41 H new ATOM 0 HA ASP A 64 -16.908 10.232 -0.660 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -18.060 11.627 1.176 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -18.949 10.263 0.525 1.00 0.49 H new ATOM 901 N PHE A 65 -15.682 12.160 0.798 1.00 0.51 N ATOM 902 CA PHE A 65 -14.592 13.051 1.196 1.00 0.54 C ATOM 903 C PHE A 65 -14.298 12.993 2.705 1.00 0.54 C ATOM 904 O PHE A 65 -13.130 12.901 3.091 1.00 0.54 O ATOM 905 CB PHE A 65 -14.882 14.493 0.762 1.00 0.61 C ATOM 906 CG PHE A 65 -13.655 15.360 0.701 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.696 15.166 -0.283 1.00 0.83 C ATOM 908 CD2 PHE A 65 -13.460 16.364 1.632 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.569 15.964 -0.334 1.00 1.04 C ATOM 910 CE2 PHE A 65 -12.336 17.163 1.584 1.00 1.15 C ATOM 911 CZ PHE A 65 -11.388 16.964 0.600 1.00 1.15 C ATOM 0 H PHE A 65 -16.506 12.644 0.443 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.697 12.698 0.683 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.357 14.480 -0.219 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -15.596 14.936 1.456 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.832 14.384 -1.016 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -14.196 16.525 2.406 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -10.830 15.805 -1.105 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -12.198 17.944 2.317 1.00 1.15 H new ATOM 0 HZ PHE A 65 -10.508 17.589 0.561 1.00 1.15 H new ATOM 921 N PRO A 66 -15.324 13.060 3.594 1.00 0.55 N ATOM 922 CA PRO A 66 -15.105 12.994 5.047 1.00 0.56 C ATOM 923 C PRO A 66 -14.326 11.746 5.455 1.00 0.50 C ATOM 924 O PRO A 66 -13.409 11.806 6.279 1.00 0.52 O ATOM 925 CB PRO A 66 -16.520 12.946 5.624 1.00 0.59 C ATOM 926 CG PRO A 66 -17.379 13.577 4.593 1.00 0.63 C ATOM 927 CD PRO A 66 -16.759 13.230 3.273 1.00 0.58 C ATOM 0 HA PRO A 66 -14.514 13.836 5.407 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -16.830 11.920 5.822 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -16.579 13.485 6.570 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -18.401 13.204 4.655 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -17.425 14.657 4.731 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -17.187 12.318 2.857 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -16.914 14.019 2.538 1.00 0.58 H new ATOM 935 N GLU A 67 -14.698 10.616 4.871 1.00 0.46 N ATOM 936 CA GLU A 67 -14.029 9.358 5.148 1.00 0.43 C ATOM 937 C GLU A 67 -12.674 9.299 4.451 1.00 0.43 C ATOM 938 O GLU A 67 -11.751 8.649 4.939 1.00 0.44 O ATOM 939 CB GLU A 67 -14.885 8.185 4.698 1.00 0.41 C ATOM 940 CG GLU A 67 -16.000 7.847 5.666 1.00 0.43 C ATOM 941 CD GLU A 67 -17.214 7.282 4.971 1.00 0.43 C ATOM 942 OE1 GLU A 67 -17.183 7.092 3.739 1.00 0.39 O ATOM 943 OE2 GLU A 67 -18.240 7.037 5.641 1.00 0.51 O ATOM 0 H GLU A 67 -15.463 10.547 4.200 1.00 0.46 H new ATOM 0 HA GLU A 67 -13.875 9.294 6.225 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -15.317 8.413 3.723 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -14.249 7.309 4.568 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -15.636 7.126 6.398 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.284 8.744 6.216 1.00 0.43 H new ATOM 950 N PHE A 68 -12.559 9.994 3.324 1.00 0.44 N ATOM 951 CA PHE A 68 -11.314 10.029 2.558 1.00 0.46 C ATOM 952 C PHE A 68 -10.220 10.653 3.406 1.00 0.48 C ATOM 953 O PHE A 68 -9.113 10.129 3.496 1.00 0.48 O ATOM 954 CB PHE A 68 -11.509 10.828 1.263 1.00 0.50 C ATOM 955 CG PHE A 68 -10.304 10.874 0.359 1.00 0.73 C ATOM 956 CD1 PHE A 68 -9.915 9.760 -0.368 1.00 0.94 C ATOM 957 CD2 PHE A 68 -9.575 12.045 0.224 1.00 1.02 C ATOM 958 CE1 PHE A 68 -8.819 9.814 -1.210 1.00 1.29 C ATOM 959 CE2 PHE A 68 -8.479 12.103 -0.613 1.00 1.34 C ATOM 960 CZ PHE A 68 -8.100 10.987 -1.331 1.00 1.44 C ATOM 0 H PHE A 68 -13.316 10.544 2.918 1.00 0.44 H new ATOM 0 HA PHE A 68 -11.025 9.012 2.291 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.344 10.398 0.710 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -11.790 11.849 1.522 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -10.473 8.840 -0.276 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -9.868 12.923 0.781 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -8.526 8.940 -1.772 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -7.918 13.021 -0.706 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.243 11.031 -1.986 1.00 1.44 H new ATOM 970 N LEU A 69 -10.554 11.760 4.055 1.00 0.52 N ATOM 971 CA LEU A 69 -9.604 12.458 4.906 1.00 0.56 C ATOM 972 C LEU A 69 -9.202 11.579 6.088 1.00 0.51 C ATOM 973 O LEU A 69 -8.018 11.437 6.393 1.00 0.50 O ATOM 974 CB LEU A 69 -10.189 13.781 5.398 1.00 0.66 C ATOM 975 CG LEU A 69 -10.655 14.736 4.294 1.00 0.75 C ATOM 976 CD1 LEU A 69 -11.542 15.827 4.869 1.00 0.89 C ATOM 977 CD2 LEU A 69 -9.459 15.349 3.584 1.00 0.82 C ATOM 0 H LEU A 69 -11.476 12.193 4.008 1.00 0.52 H new ATOM 0 HA LEU A 69 -8.713 12.677 4.317 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -11.034 13.566 6.052 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.439 14.289 6.004 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.236 14.165 3.570 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -11.862 16.495 4.069 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -12.417 15.376 5.337 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -10.984 16.395 5.614 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -9.807 16.025 2.803 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -8.855 15.904 4.302 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -8.856 14.558 3.138 1.00 0.82 H new ATOM 989 N THR A 70 -10.193 10.964 6.728 1.00 0.52 N ATOM 990 CA THR A 70 -9.941 10.093 7.870 1.00 0.54 C ATOM 991 C THR A 70 -9.095 8.884 7.446 1.00 0.47 C ATOM 992 O THR A 70 -8.103 8.540 8.096 1.00 0.53 O ATOM 993 CB THR A 70 -11.264 9.605 8.498 1.00 0.62 C ATOM 994 OG1 THR A 70 -12.179 10.710 8.609 1.00 0.63 O ATOM 995 CG2 THR A 70 -11.018 8.997 9.876 1.00 0.74 C ATOM 0 H THR A 70 -11.177 11.053 6.475 1.00 0.52 H new ATOM 0 HA THR A 70 -9.394 10.671 8.615 1.00 0.54 H new ATOM 0 HB THR A 70 -11.693 8.836 7.855 1.00 0.62 H new ATOM 0 HG1 THR A 70 -12.623 10.855 7.747 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.964 8.660 10.299 1.00 0.74 H new ATOM 0 HG22 THR A 70 -10.339 8.149 9.784 1.00 0.74 H new ATOM 0 HG23 THR A 70 -10.574 9.747 10.531 1.00 0.74 H new ATOM 1003 N MET A 71 -9.499 8.263 6.340 1.00 0.42 N ATOM 1004 CA MET A 71 -8.799 7.103 5.782 1.00 0.43 C ATOM 1005 C MET A 71 -7.365 7.465 5.398 1.00 0.39 C ATOM 1006 O MET A 71 -6.441 6.671 5.583 1.00 0.41 O ATOM 1007 CB MET A 71 -9.551 6.585 4.545 1.00 0.51 C ATOM 1008 CG MET A 71 -8.776 6.739 3.232 1.00 0.71 C ATOM 1009 SD MET A 71 -9.815 6.719 1.759 1.00 0.69 S ATOM 1010 CE MET A 71 -8.552 6.646 0.492 1.00 0.68 C ATOM 0 H MET A 71 -10.319 8.547 5.804 1.00 0.42 H new ATOM 0 HA MET A 71 -8.767 6.323 6.543 1.00 0.43 H new ATOM 0 HB2 MET A 71 -9.789 5.532 4.693 1.00 0.51 H new ATOM 0 HB3 MET A 71 -10.498 7.117 4.460 1.00 0.51 H new ATOM 0 HG2 MET A 71 -8.219 7.676 3.259 1.00 0.71 H new ATOM 0 HG3 MET A 71 -8.044 5.935 3.158 1.00 0.71 H new ATOM 0 HE1 MET A 71 -9.010 6.788 -0.487 1.00 0.68 H new ATOM 0 HE2 MET A 71 -7.817 7.432 0.666 1.00 0.68 H new ATOM 0 HE3 MET A 71 -8.059 5.674 0.525 1.00 0.68 H new ATOM 1020 N MET A 72 -7.195 8.664 4.860 1.00 0.38 N ATOM 1021 CA MET A 72 -5.893 9.130 4.424 1.00 0.40 C ATOM 1022 C MET A 72 -4.975 9.356 5.609 1.00 0.42 C ATOM 1023 O MET A 72 -3.813 8.976 5.572 1.00 0.45 O ATOM 1024 CB MET A 72 -6.024 10.419 3.625 1.00 0.43 C ATOM 1025 CG MET A 72 -4.875 10.641 2.662 1.00 0.58 C ATOM 1026 SD MET A 72 -4.333 12.360 2.625 1.00 1.18 S ATOM 1027 CE MET A 72 -5.819 13.203 2.072 1.00 1.69 C ATOM 0 H MET A 72 -7.951 9.334 4.716 1.00 0.38 H new ATOM 0 HA MET A 72 -5.460 8.359 3.787 1.00 0.40 H new ATOM 0 HB2 MET A 72 -6.960 10.400 3.066 1.00 0.43 H new ATOM 0 HB3 MET A 72 -6.081 11.262 4.314 1.00 0.43 H new ATOM 0 HG2 MET A 72 -4.037 10.005 2.947 1.00 0.58 H new ATOM 0 HG3 MET A 72 -5.180 10.337 1.661 1.00 0.58 H new ATOM 0 HE1 MET A 72 -5.602 14.260 1.919 1.00 1.69 H new ATOM 0 HE2 MET A 72 -6.159 12.763 1.134 1.00 1.69 H new ATOM 0 HE3 MET A 72 -6.599 13.098 2.826 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.505 9.962 6.662 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.714 10.221 7.850 1.00 0.53 C ATOM 1039 C ALA A 73 -4.263 8.906 8.479 1.00 0.51 C ATOM 1040 O ALA A 73 -3.187 8.821 9.069 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.497 11.064 8.837 1.00 0.63 C ATOM 0 H ALA A 73 -6.473 10.280 6.716 1.00 0.45 H new ATOM 0 HA ALA A 73 -3.824 10.783 7.566 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -4.888 11.248 9.722 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -5.761 12.015 8.374 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.406 10.536 9.126 1.00 0.63 H new ATOM 1047 N ARG A 74 -5.083 7.876 8.316 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.783 6.553 8.846 1.00 0.53 C ATOM 1049 C ARG A 74 -3.583 5.931 8.121 1.00 0.53 C ATOM 1050 O ARG A 74 -2.905 5.068 8.673 1.00 0.81 O ATOM 1051 CB ARG A 74 -6.007 5.640 8.702 1.00 0.59 C ATOM 1052 CG ARG A 74 -6.152 4.626 9.830 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.631 3.274 9.318 1.00 1.02 C ATOM 1054 NE ARG A 74 -7.942 3.342 8.666 1.00 0.96 N ATOM 1055 CZ ARG A 74 -8.318 2.519 7.679 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -7.492 1.574 7.248 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -9.519 2.630 7.124 1.00 1.44 N ATOM 0 H ARG A 74 -5.970 7.933 7.816 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.532 6.658 9.901 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -6.906 6.256 8.661 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -5.942 5.108 7.753 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -5.194 4.505 10.335 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -6.857 5.005 10.571 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -5.900 2.879 8.612 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.681 2.573 10.151 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.602 4.053 8.980 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -6.568 1.473 7.669 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -7.781 0.948 6.496 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.167 3.348 7.449 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -9.794 1.997 6.373 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.324 6.367 6.883 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.204 5.831 6.108 1.00 0.47 C ATOM 1073 C LYS A 75 -1.056 6.826 5.996 1.00 0.56 C ATOM 1074 O LYS A 75 0.076 6.448 5.711 1.00 0.78 O ATOM 1075 CB LYS A 75 -2.650 5.404 4.708 1.00 0.52 C ATOM 1076 CG LYS A 75 -2.182 4.014 4.358 1.00 0.72 C ATOM 1077 CD LYS A 75 -2.882 2.971 5.204 1.00 0.79 C ATOM 1078 CE LYS A 75 -4.283 2.713 4.697 1.00 0.86 C ATOM 1079 NZ LYS A 75 -4.782 1.392 5.137 1.00 0.83 N ATOM 0 H LYS A 75 -3.870 7.082 6.402 1.00 0.42 H new ATOM 0 HA LYS A 75 -1.846 4.956 6.650 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -3.738 5.445 4.647 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.263 6.111 3.974 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -2.373 3.818 3.303 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -1.104 3.942 4.506 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -2.310 2.043 5.191 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -2.922 3.306 6.241 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -4.952 3.495 5.058 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.292 2.763 3.608 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -5.557 1.088 4.513 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -4.010 0.697 5.093 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -5.131 1.461 6.114 1.00 0.83 H new ATOM 1093 N MET A 76 -1.359 8.095 6.205 1.00 0.58 N ATOM 1094 CA MET A 76 -0.352 9.147 6.139 1.00 0.72 C ATOM 1095 C MET A 76 0.697 8.954 7.224 1.00 0.71 C ATOM 1096 O MET A 76 1.892 8.850 6.947 1.00 0.80 O ATOM 1097 CB MET A 76 -1.006 10.515 6.316 1.00 0.92 C ATOM 1098 CG MET A 76 -0.014 11.663 6.285 1.00 1.20 C ATOM 1099 SD MET A 76 -0.654 13.145 7.085 1.00 1.55 S ATOM 1100 CE MET A 76 -2.251 13.285 6.280 1.00 1.68 C ATOM 0 H MET A 76 -2.299 8.426 6.423 1.00 0.58 H new ATOM 0 HA MET A 76 0.128 9.094 5.162 1.00 0.72 H new ATOM 0 HB2 MET A 76 -1.745 10.661 5.528 1.00 0.92 H new ATOM 0 HB3 MET A 76 -1.543 10.533 7.264 1.00 0.92 H new ATOM 0 HG2 MET A 76 0.908 11.356 6.779 1.00 1.20 H new ATOM 0 HG3 MET A 76 0.240 11.893 5.250 1.00 1.20 H new ATOM 0 HE1 MET A 76 -2.588 14.321 6.319 1.00 1.68 H new ATOM 0 HE2 MET A 76 -2.163 12.971 5.240 1.00 1.68 H new ATOM 0 HE3 MET A 76 -2.973 12.649 6.792 1.00 1.68 H new ATOM 1110 N LYS A 77 0.231 8.903 8.461 1.00 0.72 N ATOM 1111 CA LYS A 77 1.112 8.726 9.601 1.00 0.86 C ATOM 1112 C LYS A 77 0.958 7.331 10.174 1.00 0.77 C ATOM 1113 O LYS A 77 0.989 7.130 11.389 1.00 0.85 O ATOM 1114 CB LYS A 77 0.820 9.782 10.659 1.00 1.11 C ATOM 1115 CG LYS A 77 1.246 11.166 10.227 1.00 1.32 C ATOM 1116 CD LYS A 77 0.852 12.213 11.242 1.00 1.47 C ATOM 1117 CE LYS A 77 1.117 13.605 10.715 1.00 1.65 C ATOM 1118 NZ LYS A 77 0.681 14.652 11.667 1.00 1.95 N ATOM 0 H LYS A 77 -0.757 8.982 8.701 1.00 0.72 H new ATOM 0 HA LYS A 77 2.144 8.846 9.272 1.00 0.86 H new ATOM 0 HB2 LYS A 77 -0.248 9.786 10.879 1.00 1.11 H new ATOM 0 HB3 LYS A 77 1.335 9.518 11.583 1.00 1.11 H new ATOM 0 HG2 LYS A 77 2.326 11.186 10.084 1.00 1.32 H new ATOM 0 HG3 LYS A 77 0.792 11.403 9.265 1.00 1.32 H new ATOM 0 HD2 LYS A 77 -0.205 12.108 11.487 1.00 1.47 H new ATOM 0 HD3 LYS A 77 1.410 12.058 12.165 1.00 1.47 H new ATOM 0 HE2 LYS A 77 2.182 13.719 10.513 1.00 1.65 H new ATOM 0 HE3 LYS A 77 0.597 13.738 9.766 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 0.881 15.591 11.266 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -0.340 14.560 11.840 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 1.196 14.542 12.564 1.00 1.95 H new ATOM 1132 N ASP A 78 0.787 6.373 9.280 1.00 0.83 N ATOM 1133 CA ASP A 78 0.632 4.978 9.659 1.00 0.83 C ATOM 1134 C ASP A 78 1.888 4.472 10.377 1.00 0.81 C ATOM 1135 O ASP A 78 2.956 4.377 9.783 1.00 1.06 O ATOM 1136 CB ASP A 78 0.359 4.134 8.412 1.00 1.15 C ATOM 1137 CG ASP A 78 0.685 2.677 8.628 1.00 1.18 C ATOM 1138 OD1 ASP A 78 0.005 2.031 9.442 1.00 1.18 O ATOM 1139 OD2 ASP A 78 1.646 2.187 8.001 1.00 1.41 O ATOM 0 H ASP A 78 0.752 6.538 8.274 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.211 4.890 10.344 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -0.690 4.232 8.131 1.00 1.15 H new ATOM 0 HB3 ASP A 78 0.949 4.517 7.580 1.00 1.15 H new ATOM 1144 N THR A 79 1.768 4.205 11.666 1.00 0.72 N ATOM 1145 CA THR A 79 2.892 3.699 12.453 1.00 0.95 C ATOM 1146 C THR A 79 2.384 2.793 13.570 1.00 0.92 C ATOM 1147 O THR A 79 3.137 2.342 14.436 1.00 1.10 O ATOM 1148 CB THR A 79 3.716 4.848 13.060 1.00 1.28 C ATOM 1149 OG1 THR A 79 2.863 5.968 13.320 1.00 1.45 O ATOM 1150 CG2 THR A 79 4.839 5.274 12.127 1.00 1.43 C ATOM 0 H THR A 79 0.905 4.329 12.195 1.00 0.72 H new ATOM 0 HA THR A 79 3.537 3.131 11.782 1.00 0.95 H new ATOM 0 HB THR A 79 4.159 4.493 13.991 1.00 1.28 H new ATOM 0 HG1 THR A 79 3.390 6.698 13.708 1.00 1.45 H new ATOM 0 HG21 THR A 79 5.403 6.087 12.584 1.00 1.43 H new ATOM 0 HG22 THR A 79 5.503 4.428 11.947 1.00 1.43 H new ATOM 0 HG23 THR A 79 4.417 5.612 11.180 1.00 1.43 H new ATOM 1158 N ASP A 80 1.084 2.553 13.531 1.00 0.79 N ATOM 1159 CA ASP A 80 0.392 1.709 14.493 1.00 0.83 C ATOM 1160 C ASP A 80 -0.497 0.790 13.691 1.00 0.80 C ATOM 1161 O ASP A 80 -1.600 0.430 14.106 1.00 1.18 O ATOM 1162 CB ASP A 80 -0.465 2.538 15.459 1.00 1.03 C ATOM 1163 CG ASP A 80 -0.001 3.979 15.596 1.00 1.39 C ATOM 1164 OD1 ASP A 80 -0.368 4.810 14.741 1.00 1.69 O ATOM 1165 OD2 ASP A 80 0.729 4.288 16.561 1.00 1.78 O ATOM 0 H ASP A 80 0.469 2.945 12.818 1.00 0.79 H new ATOM 0 HA ASP A 80 1.114 1.160 15.098 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -1.499 2.529 15.114 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -0.452 2.065 16.441 1.00 1.03 H new ATOM 1170 N SER A 81 0.016 0.449 12.519 1.00 0.74 N ATOM 1171 CA SER A 81 -0.655 -0.389 11.547 1.00 0.82 C ATOM 1172 C SER A 81 -1.343 -1.594 12.171 1.00 0.75 C ATOM 1173 O SER A 81 -0.709 -2.436 12.812 1.00 0.89 O ATOM 1174 CB SER A 81 0.366 -0.847 10.521 1.00 1.10 C ATOM 1175 OG SER A 81 1.420 0.095 10.412 1.00 1.10 O ATOM 0 H SER A 81 0.938 0.759 12.212 1.00 0.74 H new ATOM 0 HA SER A 81 -1.442 0.204 11.080 1.00 0.82 H new ATOM 0 HB2 SER A 81 0.768 -1.819 10.808 1.00 1.10 H new ATOM 0 HB3 SER A 81 -0.116 -0.975 9.552 1.00 1.10 H new ATOM 0 HG SER A 81 1.048 1.001 10.391 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.649 -1.653 11.978 1.00 0.69 N ATOM 1182 CA GLU A 82 -3.456 -2.743 12.484 1.00 0.76 C ATOM 1183 C GLU A 82 -3.920 -3.618 11.328 1.00 0.64 C ATOM 1184 O GLU A 82 -3.753 -4.840 11.349 1.00 0.78 O ATOM 1185 CB GLU A 82 -4.661 -2.184 13.234 1.00 0.90 C ATOM 1186 CG GLU A 82 -5.389 -3.212 14.078 1.00 1.13 C ATOM 1187 CD GLU A 82 -4.555 -3.688 15.246 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -3.663 -4.536 15.039 1.00 1.72 O ATOM 1189 OE2 GLU A 82 -4.769 -3.195 16.374 1.00 1.86 O ATOM 0 H GLU A 82 -3.177 -0.946 11.466 1.00 0.69 H new ATOM 0 HA GLU A 82 -2.860 -3.347 13.168 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -4.330 -1.368 13.877 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.360 -1.759 12.514 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -6.319 -2.781 14.450 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -5.659 -4.065 13.455 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.486 -2.979 10.314 1.00 0.53 N ATOM 1197 CA GLU A 83 -4.979 -3.688 9.142 1.00 0.52 C ATOM 1198 C GLU A 83 -4.195 -3.291 7.906 1.00 0.45 C ATOM 1199 O GLU A 83 -4.119 -4.045 6.943 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.462 -3.387 8.930 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.380 -4.343 9.668 1.00 1.37 C ATOM 1202 CD GLU A 83 -7.310 -5.751 9.114 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -7.698 -5.953 7.941 1.00 2.70 O ATOM 1204 OE2 GLU A 83 -6.874 -6.663 9.847 1.00 2.40 O ATOM 0 H GLU A 83 -4.615 -1.968 10.280 1.00 0.53 H new ATOM 0 HA GLU A 83 -4.849 -4.757 9.310 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -6.669 -2.369 9.259 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -6.686 -3.430 7.864 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -7.112 -4.357 10.725 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -8.406 -3.980 9.604 1.00 1.37 H new ATOM 1211 N GLU A 84 -3.623 -2.097 7.956 1.00 0.44 N ATOM 1212 CA GLU A 84 -2.844 -1.537 6.852 1.00 0.46 C ATOM 1213 C GLU A 84 -1.776 -2.515 6.374 1.00 0.41 C ATOM 1214 O GLU A 84 -1.634 -2.739 5.171 1.00 0.46 O ATOM 1215 CB GLU A 84 -2.195 -0.195 7.245 1.00 0.56 C ATOM 1216 CG GLU A 84 -2.739 0.465 8.519 1.00 0.70 C ATOM 1217 CD GLU A 84 -4.255 0.528 8.588 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -4.873 1.257 7.778 1.00 1.27 O ATOM 1219 OE2 GLU A 84 -4.827 -0.180 9.446 1.00 1.26 O ATOM 0 H GLU A 84 -3.684 -1.482 8.768 1.00 0.44 H new ATOM 0 HA GLU A 84 -3.538 -1.356 6.031 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -1.124 -0.354 7.371 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -2.318 0.503 6.417 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -2.369 -0.084 9.385 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -2.341 1.477 8.589 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.023 -3.089 7.315 1.00 0.38 N ATOM 1227 CA ILE A 85 0.004 -4.070 6.977 1.00 0.42 C ATOM 1228 C ILE A 85 -0.590 -5.179 6.116 1.00 0.40 C ATOM 1229 O ILE A 85 -0.087 -5.477 5.039 1.00 0.41 O ATOM 1230 CB ILE A 85 0.622 -4.709 8.238 1.00 0.53 C ATOM 1231 CG1 ILE A 85 1.395 -3.675 9.053 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.527 -5.873 7.853 1.00 1.38 C ATOM 1233 CD1 ILE A 85 1.751 -4.161 10.443 1.00 1.50 C ATOM 0 H ILE A 85 -1.106 -2.891 8.312 1.00 0.38 H new ATOM 0 HA ILE A 85 0.785 -3.540 6.431 1.00 0.42 H new ATOM 0 HB ILE A 85 -0.189 -5.089 8.859 1.00 0.53 H new ATOM 0 HG12 ILE A 85 2.309 -3.411 8.521 1.00 1.17 H new ATOM 0 HG13 ILE A 85 0.800 -2.766 9.134 1.00 1.17 H new ATOM 0 HG21 ILE A 85 1.956 -6.314 8.753 1.00 1.38 H new ATOM 0 HG22 ILE A 85 0.945 -6.626 7.322 1.00 1.38 H new ATOM 0 HG23 ILE A 85 2.329 -5.513 7.208 1.00 1.38 H new ATOM 0 HD11 ILE A 85 2.299 -3.381 10.972 1.00 1.50 H new ATOM 0 HD12 ILE A 85 0.839 -4.398 10.990 1.00 1.50 H new ATOM 0 HD13 ILE A 85 2.372 -5.054 10.368 1.00 1.50 H new ATOM 1245 N ARG A 86 -1.692 -5.753 6.582 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.350 -6.837 5.867 1.00 0.44 C ATOM 1247 C ARG A 86 -2.930 -6.340 4.542 1.00 0.42 C ATOM 1248 O ARG A 86 -2.757 -6.973 3.504 1.00 0.44 O ATOM 1249 CB ARG A 86 -3.449 -7.445 6.741 1.00 0.50 C ATOM 1250 CG ARG A 86 -3.910 -8.821 6.291 1.00 0.89 C ATOM 1251 CD ARG A 86 -2.802 -9.849 6.416 1.00 1.26 C ATOM 1252 NE ARG A 86 -3.330 -11.154 6.789 1.00 1.63 N ATOM 1253 CZ ARG A 86 -2.669 -12.050 7.517 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -1.447 -11.790 7.967 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -3.238 -13.210 7.803 1.00 2.57 N ATOM 0 H ARG A 86 -2.149 -5.485 7.454 1.00 0.41 H new ATOM 0 HA ARG A 86 -1.611 -7.606 5.643 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.087 -7.513 7.767 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -4.306 -6.771 6.749 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.766 -9.133 6.890 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -4.247 -8.772 5.255 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -2.268 -9.928 5.469 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.080 -9.519 7.163 1.00 1.26 H new ATOM 0 HE ARG A 86 -4.268 -11.397 6.471 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -1.005 -10.895 7.755 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -0.950 -12.485 8.524 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -4.179 -13.413 7.466 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -2.736 -13.901 8.361 1.00 2.57 H new ATOM 1269 N GLU A 87 -3.608 -5.197 4.595 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.230 -4.579 3.419 1.00 0.44 C ATOM 1271 C GLU A 87 -3.229 -4.384 2.280 1.00 0.43 C ATOM 1272 O GLU A 87 -3.396 -4.968 1.208 1.00 0.45 O ATOM 1273 CB GLU A 87 -4.860 -3.242 3.826 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.115 -2.270 2.684 1.00 0.47 C ATOM 1275 CD GLU A 87 -4.888 -0.844 3.119 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -3.723 -0.471 3.354 1.00 1.47 O ATOM 1277 OE2 GLU A 87 -5.872 -0.099 3.259 1.00 0.92 O ATOM 0 H GLU A 87 -3.744 -4.668 5.456 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.004 -5.249 3.046 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -5.806 -3.443 4.329 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -4.209 -2.759 4.554 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.457 -2.507 1.848 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.138 -2.385 2.327 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.173 -3.597 2.509 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.178 -3.346 1.473 1.00 0.40 C ATOM 1286 C ALA A 88 -0.446 -4.627 1.087 1.00 0.40 C ATOM 1287 O ALA A 88 0.013 -4.770 -0.046 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.190 -2.279 1.929 1.00 0.41 C ATOM 0 H ALA A 88 -1.990 -3.128 3.396 1.00 0.41 H new ATOM 0 HA ALA A 88 -1.700 -2.981 0.588 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.545 -2.104 1.144 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -0.725 -1.353 2.137 1.00 0.41 H new ATOM 0 HB3 ALA A 88 0.318 -2.616 2.833 1.00 0.41 H new ATOM 1294 N PHE A 89 -0.383 -5.587 2.010 1.00 0.39 N ATOM 1295 CA PHE A 89 0.307 -6.841 1.737 1.00 0.41 C ATOM 1296 C PHE A 89 -0.525 -7.688 0.795 1.00 0.43 C ATOM 1297 O PHE A 89 -0.008 -8.302 -0.129 1.00 0.46 O ATOM 1298 CB PHE A 89 0.589 -7.607 3.031 1.00 0.42 C ATOM 1299 CG PHE A 89 1.936 -8.271 3.042 1.00 0.40 C ATOM 1300 CD1 PHE A 89 2.143 -9.467 2.371 1.00 0.63 C ATOM 1301 CD2 PHE A 89 3.003 -7.690 3.711 1.00 0.52 C ATOM 1302 CE1 PHE A 89 3.386 -10.071 2.368 1.00 0.75 C ATOM 1303 CE2 PHE A 89 4.245 -8.291 3.713 1.00 0.64 C ATOM 1304 CZ PHE A 89 4.437 -9.481 3.039 1.00 0.68 C ATOM 0 H PHE A 89 -0.796 -5.520 2.940 1.00 0.39 H new ATOM 0 HA PHE A 89 1.264 -6.614 1.267 1.00 0.41 H new ATOM 0 HB2 PHE A 89 0.523 -6.920 3.875 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.183 -8.363 3.174 1.00 0.42 H new ATOM 0 HD1 PHE A 89 1.323 -9.932 1.844 1.00 0.63 H new ATOM 0 HD2 PHE A 89 2.860 -6.757 4.236 1.00 0.52 H new ATOM 0 HE1 PHE A 89 3.534 -11.002 1.842 1.00 0.75 H new ATOM 0 HE2 PHE A 89 5.067 -7.831 4.242 1.00 0.64 H new ATOM 0 HZ PHE A 89 5.410 -9.950 3.037 1.00 0.68 H new ATOM 1314 N ARG A 90 -1.830 -7.688 1.030 1.00 0.45 N ATOM 1315 CA ARG A 90 -2.771 -8.447 0.212 1.00 0.49 C ATOM 1316 C ARG A 90 -2.817 -7.913 -1.217 1.00 0.47 C ATOM 1317 O ARG A 90 -3.009 -8.667 -2.166 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.165 -8.365 0.826 1.00 0.57 C ATOM 1319 CG ARG A 90 -4.334 -9.215 2.071 1.00 1.06 C ATOM 1320 CD ARG A 90 -5.705 -9.008 2.690 1.00 1.28 C ATOM 1321 NE ARG A 90 -6.782 -9.219 1.726 1.00 1.54 N ATOM 1322 CZ ARG A 90 -7.947 -8.569 1.755 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -8.192 -7.655 2.688 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -8.865 -8.825 0.833 1.00 2.35 N ATOM 0 H ARG A 90 -2.267 -7.165 1.789 1.00 0.45 H new ATOM 0 HA ARG A 90 -2.435 -9.484 0.182 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -4.383 -7.326 1.074 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -4.899 -8.676 0.082 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -4.200 -10.267 1.818 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -3.561 -8.961 2.797 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -5.831 -9.693 3.529 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -5.772 -7.997 3.092 1.00 1.28 H new ATOM 0 HE ARG A 90 -6.635 -9.905 0.986 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -7.486 -7.443 3.393 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -9.087 -7.165 2.699 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -8.679 -9.516 0.106 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -9.757 -8.331 0.851 1.00 2.35 H new ATOM 1338 N VAL A 91 -2.658 -6.600 -1.355 1.00 0.43 N ATOM 1339 CA VAL A 91 -2.696 -5.950 -2.664 1.00 0.43 C ATOM 1340 C VAL A 91 -1.405 -6.195 -3.455 1.00 0.41 C ATOM 1341 O VAL A 91 -1.444 -6.367 -4.675 1.00 0.41 O ATOM 1342 CB VAL A 91 -2.984 -4.431 -2.514 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -2.984 -3.713 -3.858 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.319 -4.229 -1.821 1.00 0.46 C ATOM 0 H VAL A 91 -2.501 -5.962 -0.575 1.00 0.43 H new ATOM 0 HA VAL A 91 -3.511 -6.396 -3.233 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.184 -4.000 -1.912 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.190 -2.654 -3.705 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.009 -3.829 -4.332 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -3.753 -4.143 -4.500 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -4.518 -3.162 -1.718 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.110 -4.690 -2.413 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.290 -4.690 -0.834 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.267 -6.221 -2.767 1.00 0.42 N ATOM 1355 CA PHE A 92 1.010 -6.469 -3.429 1.00 0.42 C ATOM 1356 C PHE A 92 1.211 -7.972 -3.655 1.00 0.43 C ATOM 1357 O PHE A 92 1.876 -8.389 -4.604 1.00 0.47 O ATOM 1358 CB PHE A 92 2.174 -5.915 -2.595 1.00 0.43 C ATOM 1359 CG PHE A 92 2.291 -4.403 -2.560 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.786 -3.610 -3.585 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.940 -3.776 -1.501 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.927 -2.230 -3.550 1.00 0.42 C ATOM 1363 CE2 PHE A 92 3.077 -2.399 -1.463 1.00 0.43 C ATOM 1364 CZ PHE A 92 2.571 -1.628 -2.491 1.00 0.40 C ATOM 0 H PHE A 92 -0.203 -6.075 -1.760 1.00 0.42 H new ATOM 0 HA PHE A 92 0.994 -5.959 -4.392 1.00 0.42 H new ATOM 0 HB2 PHE A 92 2.070 -6.278 -1.572 1.00 0.43 H new ATOM 0 HB3 PHE A 92 3.105 -6.325 -2.986 1.00 0.43 H new ATOM 0 HD1 PHE A 92 1.278 -4.074 -4.418 1.00 0.42 H new ATOM 0 HD2 PHE A 92 3.343 -4.373 -0.696 1.00 0.39 H new ATOM 0 HE1 PHE A 92 1.531 -1.627 -4.354 1.00 0.42 H new ATOM 0 HE2 PHE A 92 3.579 -1.928 -0.631 1.00 0.43 H new ATOM 0 HZ PHE A 92 2.680 -0.554 -2.465 1.00 0.40 H new ATOM 1374 N ASP A 93 0.622 -8.776 -2.777 1.00 0.44 N ATOM 1375 CA ASP A 93 0.736 -10.234 -2.847 1.00 0.47 C ATOM 1376 C ASP A 93 -0.504 -10.849 -3.499 1.00 0.52 C ATOM 1377 O ASP A 93 -1.512 -11.093 -2.837 1.00 0.80 O ATOM 1378 CB ASP A 93 0.929 -10.802 -1.433 1.00 0.50 C ATOM 1379 CG ASP A 93 1.593 -12.160 -1.416 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.681 -12.296 -2.007 1.00 0.54 O ATOM 1381 OD2 ASP A 93 1.049 -13.088 -0.794 1.00 0.80 O ATOM 0 H ASP A 93 0.054 -8.441 -1.999 1.00 0.44 H new ATOM 0 HA ASP A 93 1.600 -10.488 -3.461 1.00 0.47 H new ATOM 0 HB2 ASP A 93 1.530 -10.105 -0.849 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.042 -10.875 -0.943 1.00 0.50 H new ATOM 1386 N LYS A 94 -0.424 -11.096 -4.801 1.00 0.48 N ATOM 1387 CA LYS A 94 -1.547 -11.669 -5.543 1.00 0.54 C ATOM 1388 C LYS A 94 -1.587 -13.198 -5.439 1.00 0.56 C ATOM 1389 O LYS A 94 -2.639 -13.805 -5.631 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.493 -11.244 -7.021 1.00 0.60 C ATOM 1391 CG LYS A 94 -2.705 -11.687 -7.827 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.717 -11.073 -9.216 1.00 1.06 C ATOM 1393 CE LYS A 94 -3.834 -11.661 -10.056 1.00 1.31 C ATOM 1394 NZ LYS A 94 -3.362 -12.806 -10.874 1.00 1.70 N ATOM 0 H LYS A 94 0.404 -10.910 -5.367 1.00 0.48 H new ATOM 0 HA LYS A 94 -2.460 -11.282 -5.090 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.408 -10.159 -7.075 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -0.593 -11.657 -7.477 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -2.708 -12.774 -7.911 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.615 -11.406 -7.298 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.843 -9.993 -9.140 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -1.758 -11.248 -9.704 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -4.645 -11.989 -9.405 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -4.242 -10.890 -10.710 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -4.153 -13.182 -11.435 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -2.605 -12.488 -11.513 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -2.996 -13.552 -10.249 1.00 1.70 H new ATOM 1408 N ASP A 95 -0.457 -13.828 -5.131 1.00 0.55 N ATOM 1409 CA ASP A 95 -0.429 -15.292 -5.023 1.00 0.59 C ATOM 1410 C ASP A 95 -0.871 -15.773 -3.640 1.00 0.60 C ATOM 1411 O ASP A 95 -1.284 -16.925 -3.479 1.00 0.67 O ATOM 1412 CB ASP A 95 0.956 -15.865 -5.365 1.00 0.59 C ATOM 1413 CG ASP A 95 2.086 -15.267 -4.551 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.859 -14.817 -3.420 1.00 0.62 O ATOM 1415 OD2 ASP A 95 3.226 -15.221 -5.048 1.00 0.58 O ATOM 0 H ASP A 95 0.435 -13.365 -4.954 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.144 -15.666 -5.756 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.941 -16.944 -5.209 1.00 0.59 H new ATOM 0 HB3 ASP A 95 1.156 -15.698 -6.423 1.00 0.59 H new ATOM 1420 N GLY A 96 -0.769 -14.898 -2.649 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.163 -15.240 -1.293 1.00 0.61 C ATOM 1422 C GLY A 96 -0.140 -16.101 -0.568 1.00 0.61 C ATOM 1423 O GLY A 96 -0.492 -16.864 0.338 1.00 0.72 O ATOM 0 H GLY A 96 -0.417 -13.947 -2.760 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.323 -14.323 -0.726 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.117 -15.767 -1.321 1.00 0.61 H new ATOM 1427 N ASN A 97 1.123 -15.982 -0.949 1.00 0.61 N ATOM 1428 CA ASN A 97 2.184 -16.760 -0.315 1.00 0.62 C ATOM 1429 C ASN A 97 2.827 -15.980 0.826 1.00 0.60 C ATOM 1430 O ASN A 97 3.568 -16.542 1.635 1.00 0.66 O ATOM 1431 CB ASN A 97 3.241 -17.196 -1.341 1.00 0.62 C ATOM 1432 CG ASN A 97 4.250 -16.114 -1.709 1.00 0.55 C ATOM 1433 OD1 ASN A 97 3.945 -14.921 -1.746 1.00 0.58 O ATOM 1434 ND2 ASN A 97 5.466 -16.533 -2.011 1.00 0.72 N ATOM 0 H ASN A 97 1.440 -15.358 -1.691 1.00 0.61 H new ATOM 0 HA ASN A 97 1.731 -17.659 0.103 1.00 0.62 H new ATOM 0 HB2 ASN A 97 3.779 -18.057 -0.945 1.00 0.62 H new ATOM 0 HB3 ASN A 97 2.734 -17.526 -2.248 1.00 0.62 H new ATOM 0 HD21 ASN A 97 6.184 -15.862 -2.284 1.00 0.72 H new ATOM 0 HD22 ASN A 97 5.687 -17.528 -1.971 1.00 0.72 H new ATOM 1441 N GLY A 98 2.539 -14.686 0.875 1.00 0.55 N ATOM 1442 CA GLY A 98 3.070 -13.837 1.924 1.00 0.56 C ATOM 1443 C GLY A 98 4.468 -13.344 1.629 1.00 0.53 C ATOM 1444 O GLY A 98 5.270 -13.141 2.539 1.00 0.58 O ATOM 0 H GLY A 98 1.942 -14.206 0.201 1.00 0.55 H new ATOM 0 HA2 GLY A 98 2.409 -12.981 2.061 1.00 0.56 H new ATOM 0 HA3 GLY A 98 3.075 -14.389 2.864 1.00 0.56 H new ATOM 1448 N TYR A 99 4.763 -13.156 0.356 1.00 0.53 N ATOM 1449 CA TYR A 99 6.066 -12.678 -0.068 1.00 0.50 C ATOM 1450 C TYR A 99 5.922 -11.781 -1.288 1.00 0.50 C ATOM 1451 O TYR A 99 5.462 -12.227 -2.347 1.00 0.54 O ATOM 1452 CB TYR A 99 6.994 -13.853 -0.386 1.00 0.52 C ATOM 1453 CG TYR A 99 7.901 -14.244 0.762 1.00 0.70 C ATOM 1454 CD1 TYR A 99 7.479 -15.157 1.715 1.00 0.92 C ATOM 1455 CD2 TYR A 99 9.175 -13.699 0.892 1.00 0.91 C ATOM 1456 CE1 TYR A 99 8.292 -15.517 2.767 1.00 1.19 C ATOM 1457 CE2 TYR A 99 9.998 -14.060 1.943 1.00 1.17 C ATOM 1458 CZ TYR A 99 9.550 -14.969 2.877 1.00 1.26 C ATOM 1459 OH TYR A 99 10.362 -15.330 3.927 1.00 1.57 O ATOM 0 H TYR A 99 4.111 -13.329 -0.409 1.00 0.53 H new ATOM 0 HA TYR A 99 6.505 -12.102 0.747 1.00 0.50 H new ATOM 0 HB2 TYR A 99 6.390 -14.715 -0.669 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.607 -13.596 -1.250 1.00 0.52 H new ATOM 0 HD1 TYR A 99 6.495 -15.594 1.631 1.00 0.92 H new ATOM 0 HD2 TYR A 99 9.526 -12.984 0.162 1.00 0.91 H new ATOM 0 HE1 TYR A 99 7.944 -16.227 3.503 1.00 1.19 H new ATOM 0 HE2 TYR A 99 10.986 -13.632 2.031 1.00 1.17 H new ATOM 0 HH TYR A 99 11.216 -14.855 3.858 1.00 1.57 H new ATOM 1469 N ILE A 100 6.294 -10.522 -1.138 1.00 0.49 N ATOM 1470 CA ILE A 100 6.213 -9.566 -2.232 1.00 0.52 C ATOM 1471 C ILE A 100 7.524 -9.563 -3.020 1.00 0.61 C ATOM 1472 O ILE A 100 8.589 -9.355 -2.453 1.00 0.64 O ATOM 1473 CB ILE A 100 5.923 -8.148 -1.693 1.00 0.55 C ATOM 1474 CG1 ILE A 100 4.738 -8.184 -0.718 1.00 0.58 C ATOM 1475 CG2 ILE A 100 5.641 -7.182 -2.835 1.00 0.60 C ATOM 1476 CD1 ILE A 100 4.646 -6.971 0.185 1.00 0.69 C ATOM 0 H ILE A 100 6.657 -10.135 -0.267 1.00 0.49 H new ATOM 0 HA ILE A 100 5.397 -9.862 -2.891 1.00 0.52 H new ATOM 0 HB ILE A 100 6.806 -7.796 -1.160 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.813 -8.270 -1.289 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.816 -9.079 -0.100 1.00 0.58 H new ATOM 0 HG21 ILE A 100 5.440 -6.190 -2.431 1.00 0.60 H new ATOM 0 HG22 ILE A 100 6.507 -7.136 -3.495 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.774 -7.527 -3.398 1.00 0.60 H new ATOM 0 HD11 ILE A 100 3.783 -7.072 0.844 1.00 0.69 H new ATOM 0 HD12 ILE A 100 5.553 -6.894 0.784 1.00 0.69 H new ATOM 0 HD13 ILE A 100 4.535 -6.073 -0.422 1.00 0.69 H new ATOM 1488 N SER A 101 7.452 -9.813 -4.320 1.00 0.84 N ATOM 1489 CA SER A 101 8.653 -9.856 -5.155 1.00 1.02 C ATOM 1490 C SER A 101 8.440 -9.095 -6.464 1.00 0.95 C ATOM 1491 O SER A 101 7.473 -8.346 -6.600 1.00 0.85 O ATOM 1492 CB SER A 101 9.019 -11.310 -5.459 1.00 1.14 C ATOM 1493 OG SER A 101 8.037 -12.206 -4.956 1.00 1.12 O ATOM 0 H SER A 101 6.581 -9.989 -4.821 1.00 0.84 H new ATOM 0 HA SER A 101 9.466 -9.378 -4.609 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.119 -11.444 -6.536 1.00 1.14 H new ATOM 0 HB3 SER A 101 9.988 -11.543 -5.017 1.00 1.14 H new ATOM 0 HG SER A 101 8.479 -12.962 -4.516 1.00 1.12 H new ATOM 1499 N ALA A 102 9.330 -9.322 -7.437 1.00 1.01 N ATOM 1500 CA ALA A 102 9.233 -8.689 -8.758 1.00 0.98 C ATOM 1501 C ALA A 102 8.217 -9.447 -9.617 1.00 0.86 C ATOM 1502 O ALA A 102 8.176 -9.333 -10.841 1.00 1.30 O ATOM 1503 CB ALA A 102 10.598 -8.674 -9.433 1.00 1.09 C ATOM 0 H ALA A 102 10.131 -9.944 -7.333 1.00 1.01 H new ATOM 0 HA ALA A 102 8.897 -7.659 -8.641 1.00 0.98 H new ATOM 0 HB1 ALA A 102 10.515 -8.202 -10.412 1.00 1.09 H new ATOM 0 HB2 ALA A 102 11.302 -8.112 -8.818 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.956 -9.697 -9.552 1.00 1.09 H new ATOM 1509 N ALA A 103 7.407 -10.220 -8.921 1.00 0.56 N ATOM 1510 CA ALA A 103 6.372 -11.034 -9.535 1.00 0.66 C ATOM 1511 C ALA A 103 5.066 -10.255 -9.664 1.00 0.52 C ATOM 1512 O ALA A 103 4.777 -9.668 -10.708 1.00 0.57 O ATOM 1513 CB ALA A 103 6.160 -12.315 -8.745 1.00 0.93 C ATOM 0 H ALA A 103 7.447 -10.303 -7.905 1.00 0.56 H new ATOM 0 HA ALA A 103 6.703 -11.301 -10.539 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.381 -12.911 -9.221 1.00 0.93 H new ATOM 0 HB2 ALA A 103 7.089 -12.885 -8.720 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.858 -12.069 -7.727 1.00 0.93 H new ATOM 1519 N GLU A 104 4.295 -10.229 -8.589 1.00 0.45 N ATOM 1520 CA GLU A 104 3.012 -9.541 -8.577 1.00 0.42 C ATOM 1521 C GLU A 104 3.169 -8.028 -8.505 1.00 0.43 C ATOM 1522 O GLU A 104 2.329 -7.295 -9.020 1.00 0.46 O ATOM 1523 CB GLU A 104 2.168 -10.024 -7.404 1.00 0.51 C ATOM 1524 CG GLU A 104 2.190 -11.532 -7.221 1.00 0.49 C ATOM 1525 CD GLU A 104 2.875 -11.954 -5.943 1.00 0.60 C ATOM 1526 OE1 GLU A 104 4.116 -11.877 -5.862 1.00 0.78 O ATOM 1527 OE2 GLU A 104 2.179 -12.394 -5.015 1.00 0.83 O ATOM 0 H GLU A 104 4.537 -10.680 -7.707 1.00 0.45 H new ATOM 0 HA GLU A 104 2.512 -9.778 -9.516 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.526 -9.550 -6.490 1.00 0.51 H new ATOM 0 HB3 GLU A 104 1.138 -9.699 -7.550 1.00 0.51 H new ATOM 0 HG2 GLU A 104 1.167 -11.909 -7.222 1.00 0.49 H new ATOM 0 HG3 GLU A 104 2.699 -11.989 -8.069 1.00 0.49 H new ATOM 1534 N LEU A 105 4.253 -7.559 -7.899 1.00 0.43 N ATOM 1535 CA LEU A 105 4.473 -6.126 -7.763 1.00 0.47 C ATOM 1536 C LEU A 105 4.606 -5.475 -9.132 1.00 0.48 C ATOM 1537 O LEU A 105 4.136 -4.358 -9.362 1.00 0.50 O ATOM 1538 CB LEU A 105 5.719 -5.865 -6.931 1.00 0.50 C ATOM 1539 CG LEU A 105 5.919 -4.412 -6.513 1.00 0.55 C ATOM 1540 CD1 LEU A 105 4.849 -3.982 -5.520 1.00 0.61 C ATOM 1541 CD2 LEU A 105 7.306 -4.222 -5.930 1.00 0.63 C ATOM 0 H LEU A 105 4.986 -8.144 -7.498 1.00 0.43 H new ATOM 0 HA LEU A 105 3.613 -5.688 -7.256 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.676 -6.483 -6.034 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.592 -6.188 -7.499 1.00 0.50 H new ATOM 0 HG LEU A 105 5.826 -3.781 -7.397 1.00 0.55 H new ATOM 0 HD11 LEU A 105 5.012 -2.942 -5.237 1.00 0.61 H new ATOM 0 HD12 LEU A 105 3.865 -4.083 -5.979 1.00 0.61 H new ATOM 0 HD13 LEU A 105 4.902 -4.613 -4.633 1.00 0.61 H new ATOM 0 HD21 LEU A 105 7.437 -3.181 -5.635 1.00 0.63 H new ATOM 0 HD22 LEU A 105 7.425 -4.864 -5.057 1.00 0.63 H new ATOM 0 HD23 LEU A 105 8.054 -4.484 -6.678 1.00 0.63 H new ATOM 1553 N ARG A 106 5.239 -6.202 -10.044 1.00 0.49 N ATOM 1554 CA ARG A 106 5.447 -5.738 -11.410 1.00 0.52 C ATOM 1555 C ARG A 106 4.104 -5.488 -12.100 1.00 0.53 C ATOM 1556 O ARG A 106 3.976 -4.592 -12.940 1.00 0.59 O ATOM 1557 CB ARG A 106 6.261 -6.780 -12.189 1.00 0.56 C ATOM 1558 CG ARG A 106 6.618 -6.358 -13.607 1.00 0.82 C ATOM 1559 CD ARG A 106 7.026 -7.551 -14.459 1.00 0.84 C ATOM 1560 NE ARG A 106 8.479 -7.712 -14.516 1.00 0.72 N ATOM 1561 CZ ARG A 106 9.099 -8.792 -14.997 1.00 0.86 C ATOM 1562 NH1 ARG A 106 8.401 -9.793 -15.525 1.00 1.18 N ATOM 1563 NH2 ARG A 106 10.421 -8.848 -14.972 1.00 0.90 N ATOM 0 H ARG A 106 5.622 -7.129 -9.858 1.00 0.49 H new ATOM 0 HA ARG A 106 5.999 -4.798 -11.386 1.00 0.52 H new ATOM 0 HB2 ARG A 106 7.180 -6.990 -11.642 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.695 -7.711 -12.230 1.00 0.56 H new ATOM 0 HG2 ARG A 106 5.764 -5.858 -14.065 1.00 0.82 H new ATOM 0 HG3 ARG A 106 7.433 -5.635 -13.578 1.00 0.82 H new ATOM 0 HD2 ARG A 106 6.576 -8.457 -14.053 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.635 -7.426 -15.469 1.00 0.84 H new ATOM 0 HE ARG A 106 9.057 -6.948 -14.165 1.00 0.72 H new ATOM 0 HH11 ARG A 106 7.383 -9.740 -15.565 1.00 1.18 H new ATOM 0 HH12 ARG A 106 8.883 -10.614 -15.890 1.00 1.18 H new ATOM 0 HH21 ARG A 106 10.957 -8.070 -14.587 1.00 0.90 H new ATOM 0 HH22 ARG A 106 10.904 -9.669 -15.337 1.00 0.90 H new ATOM 1577 N HIS A 107 3.100 -6.272 -11.719 1.00 0.52 N ATOM 1578 CA HIS A 107 1.768 -6.159 -12.289 1.00 0.54 C ATOM 1579 C HIS A 107 1.013 -4.996 -11.647 1.00 0.54 C ATOM 1580 O HIS A 107 0.531 -4.106 -12.345 1.00 0.59 O ATOM 1581 CB HIS A 107 1.008 -7.474 -12.082 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.348 -7.502 -12.707 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.517 -7.313 -14.055 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -1.553 -7.717 -12.132 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -1.815 -7.415 -14.271 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.488 -7.660 -13.135 1.00 0.70 N ATOM 0 H HIS A 107 3.189 -6.999 -11.009 1.00 0.52 H new ATOM 0 HA HIS A 107 1.851 -5.962 -13.358 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.601 -8.292 -12.491 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.907 -7.658 -11.012 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -1.743 -7.899 -11.084 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.279 -7.314 -15.241 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.496 -7.780 -13.037 1.00 0.70 H new ATOM 1594 N VAL A 108 0.924 -5.014 -10.316 1.00 0.49 N ATOM 1595 CA VAL A 108 0.245 -3.966 -9.544 1.00 0.49 C ATOM 1596 C VAL A 108 0.708 -2.565 -9.950 1.00 0.49 C ATOM 1597 O VAL A 108 -0.114 -1.684 -10.202 1.00 0.52 O ATOM 1598 CB VAL A 108 0.491 -4.161 -8.026 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -0.325 -3.177 -7.198 1.00 0.53 C ATOM 1600 CG2 VAL A 108 0.176 -5.589 -7.612 1.00 0.53 C ATOM 0 H VAL A 108 1.321 -5.756 -9.740 1.00 0.49 H new ATOM 0 HA VAL A 108 -0.820 -4.053 -9.761 1.00 0.49 H new ATOM 0 HB VAL A 108 1.546 -3.965 -7.835 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -0.128 -3.342 -6.139 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -0.045 -2.158 -7.465 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -1.386 -3.326 -7.397 1.00 0.53 H new ATOM 0 HG21 VAL A 108 0.355 -5.706 -6.543 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -0.869 -5.809 -7.831 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.816 -6.277 -8.164 1.00 0.53 H new ATOM 1610 N MET A 109 2.023 -2.371 -10.029 1.00 0.47 N ATOM 1611 CA MET A 109 2.595 -1.076 -10.399 1.00 0.49 C ATOM 1612 C MET A 109 2.090 -0.611 -11.762 1.00 0.50 C ATOM 1613 O MET A 109 1.621 0.521 -11.909 1.00 0.52 O ATOM 1614 CB MET A 109 4.128 -1.142 -10.393 1.00 0.50 C ATOM 1615 CG MET A 109 4.747 -0.390 -9.230 1.00 0.62 C ATOM 1616 SD MET A 109 4.218 -1.038 -7.634 1.00 0.80 S ATOM 1617 CE MET A 109 3.547 0.439 -6.878 1.00 0.86 C ATOM 0 H MET A 109 2.715 -3.096 -9.841 1.00 0.47 H new ATOM 0 HA MET A 109 2.271 -0.348 -9.656 1.00 0.49 H new ATOM 0 HB2 MET A 109 4.441 -2.185 -10.353 1.00 0.50 H new ATOM 0 HB3 MET A 109 4.508 -0.731 -11.328 1.00 0.50 H new ATOM 0 HG2 MET A 109 5.833 -0.447 -9.301 1.00 0.62 H new ATOM 0 HG3 MET A 109 4.478 0.664 -9.298 1.00 0.62 H new ATOM 0 HE1 MET A 109 3.457 0.288 -5.802 1.00 0.86 H new ATOM 0 HE2 MET A 109 4.211 1.281 -7.072 1.00 0.86 H new ATOM 0 HE3 MET A 109 2.563 0.648 -7.298 1.00 0.86 H new ATOM 1627 N THR A 110 2.170 -1.486 -12.751 1.00 0.50 N ATOM 1628 CA THR A 110 1.725 -1.159 -14.092 1.00 0.54 C ATOM 1629 C THR A 110 0.200 -1.040 -14.158 1.00 0.53 C ATOM 1630 O THR A 110 -0.343 -0.269 -14.953 1.00 0.54 O ATOM 1631 CB THR A 110 2.204 -2.221 -15.100 1.00 0.58 C ATOM 1632 OG1 THR A 110 3.566 -2.578 -14.823 1.00 0.59 O ATOM 1633 CG2 THR A 110 2.098 -1.693 -16.522 1.00 0.67 C ATOM 0 H THR A 110 2.541 -2.431 -12.648 1.00 0.50 H new ATOM 0 HA THR A 110 2.161 -0.195 -14.354 1.00 0.54 H new ATOM 0 HB THR A 110 1.569 -3.101 -15.002 1.00 0.58 H new ATOM 0 HG1 THR A 110 3.587 -3.290 -14.150 1.00 0.59 H new ATOM 0 HG21 THR A 110 2.441 -2.457 -17.220 1.00 0.67 H new ATOM 0 HG22 THR A 110 1.060 -1.441 -16.740 1.00 0.67 H new ATOM 0 HG23 THR A 110 2.717 -0.802 -16.626 1.00 0.67 H new ATOM 1641 N ASN A 111 -0.480 -1.789 -13.304 1.00 0.53 N ATOM 1642 CA ASN A 111 -1.937 -1.784 -13.265 1.00 0.56 C ATOM 1643 C ASN A 111 -2.460 -0.494 -12.645 1.00 0.55 C ATOM 1644 O ASN A 111 -3.390 0.121 -13.163 1.00 0.58 O ATOM 1645 CB ASN A 111 -2.437 -2.992 -12.477 1.00 0.58 C ATOM 1646 CG ASN A 111 -3.741 -3.548 -13.009 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -4.565 -2.829 -13.571 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -3.924 -4.847 -12.845 1.00 0.88 N ATOM 0 H ASN A 111 -0.044 -2.412 -12.624 1.00 0.53 H new ATOM 0 HA ASN A 111 -2.312 -1.843 -14.287 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -1.678 -3.774 -12.502 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -2.569 -2.708 -11.433 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -4.775 -5.290 -13.191 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -3.214 -5.406 -12.373 1.00 0.88 H new ATOM 1655 N LEU A 112 -1.845 -0.080 -11.541 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.244 1.145 -10.856 1.00 0.57 C ATOM 1657 C LEU A 112 -2.001 2.354 -11.751 1.00 0.61 C ATOM 1658 O LEU A 112 -2.774 3.309 -11.746 1.00 0.68 O ATOM 1659 CB LEU A 112 -1.480 1.303 -9.538 1.00 0.59 C ATOM 1660 CG LEU A 112 -2.042 0.505 -8.355 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -1.052 0.499 -7.200 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.378 1.085 -7.900 1.00 0.63 C ATOM 0 H LEU A 112 -1.069 -0.575 -11.102 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.309 1.080 -10.632 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -0.445 1.002 -9.699 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -1.467 2.359 -9.269 1.00 0.59 H new ATOM 0 HG LEU A 112 -2.204 -0.522 -8.683 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -1.466 -0.071 -6.369 1.00 0.93 H new ATOM 0 HD12 LEU A 112 -0.117 0.041 -7.524 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -0.862 1.523 -6.878 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.760 0.504 -7.060 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.239 2.121 -7.592 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -4.092 1.044 -8.723 1.00 0.63 H new ATOM 1674 N GLY A 113 -0.927 2.299 -12.530 1.00 0.67 N ATOM 1675 CA GLY A 113 -0.616 3.385 -13.442 1.00 0.75 C ATOM 1676 C GLY A 113 0.615 4.150 -13.038 1.00 0.77 C ATOM 1677 O GLY A 113 0.890 5.225 -13.573 1.00 0.89 O ATOM 0 H GLY A 113 -0.266 1.522 -12.547 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.475 2.982 -14.445 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -1.464 4.068 -13.489 1.00 0.75 H new ATOM 1681 N GLU A 114 1.368 3.588 -12.113 1.00 0.72 N ATOM 1682 CA GLU A 114 2.573 4.229 -11.635 1.00 0.79 C ATOM 1683 C GLU A 114 3.650 4.228 -12.711 1.00 0.79 C ATOM 1684 O GLU A 114 3.764 3.291 -13.508 1.00 0.83 O ATOM 1685 CB GLU A 114 3.076 3.537 -10.371 1.00 0.84 C ATOM 1686 CG GLU A 114 2.627 4.214 -9.080 1.00 0.95 C ATOM 1687 CD GLU A 114 3.123 5.647 -8.952 1.00 1.07 C ATOM 1688 OE1 GLU A 114 2.884 6.456 -9.876 1.00 1.55 O ATOM 1689 OE2 GLU A 114 3.751 5.971 -7.919 1.00 1.61 O ATOM 0 H GLU A 114 1.165 2.688 -11.678 1.00 0.72 H new ATOM 0 HA GLU A 114 2.338 5.265 -11.393 1.00 0.79 H new ATOM 0 HB2 GLU A 114 2.727 2.504 -10.370 1.00 0.84 H new ATOM 0 HB3 GLU A 114 4.165 3.505 -10.394 1.00 0.84 H new ATOM 0 HG2 GLU A 114 1.538 4.208 -9.033 1.00 0.95 H new ATOM 0 HG3 GLU A 114 2.986 3.635 -8.229 1.00 0.95 H new ATOM 1696 N LYS A 115 4.448 5.280 -12.713 1.00 0.77 N ATOM 1697 CA LYS A 115 5.516 5.457 -13.690 1.00 0.80 C ATOM 1698 C LYS A 115 6.759 4.670 -13.279 1.00 0.82 C ATOM 1699 O LYS A 115 7.854 5.222 -13.160 1.00 1.18 O ATOM 1700 CB LYS A 115 5.844 6.951 -13.832 1.00 0.84 C ATOM 1701 CG LYS A 115 4.621 7.859 -13.751 1.00 0.91 C ATOM 1702 CD LYS A 115 4.380 8.372 -12.336 1.00 1.07 C ATOM 1703 CE LYS A 115 3.028 9.058 -12.221 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.406 8.854 -10.886 1.00 1.02 N ATOM 0 H LYS A 115 4.377 6.040 -12.037 1.00 0.77 H new ATOM 0 HA LYS A 115 5.180 5.074 -14.654 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.548 7.235 -13.050 1.00 0.84 H new ATOM 0 HB3 LYS A 115 6.344 7.115 -14.787 1.00 0.84 H new ATOM 0 HG2 LYS A 115 4.753 8.705 -14.425 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.742 7.313 -14.093 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.430 7.541 -11.632 1.00 1.07 H new ATOM 0 HD3 LYS A 115 5.170 9.071 -12.061 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.148 10.126 -12.405 1.00 1.17 H new ATOM 0 HE3 LYS A 115 2.361 8.674 -12.993 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.433 9.221 -10.897 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 2.391 7.839 -10.662 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 2.959 9.360 -10.165 1.00 1.02 H new ATOM 1718 N LEU A 116 6.584 3.370 -13.083 1.00 0.64 N ATOM 1719 CA LEU A 116 7.675 2.507 -12.661 1.00 0.65 C ATOM 1720 C LEU A 116 7.881 1.360 -13.631 1.00 0.65 C ATOM 1721 O LEU A 116 6.953 0.622 -13.951 1.00 0.68 O ATOM 1722 CB LEU A 116 7.406 1.941 -11.269 1.00 0.70 C ATOM 1723 CG LEU A 116 8.039 2.709 -10.104 1.00 0.93 C ATOM 1724 CD1 LEU A 116 7.197 3.919 -9.729 1.00 1.27 C ATOM 1725 CD2 LEU A 116 8.217 1.785 -8.910 1.00 0.93 C ATOM 0 H LEU A 116 5.693 2.890 -13.210 1.00 0.64 H new ATOM 0 HA LEU A 116 8.578 3.117 -12.640 1.00 0.65 H new ATOM 0 HB2 LEU A 116 6.328 1.906 -11.114 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.766 0.912 -11.240 1.00 0.70 H new ATOM 0 HG LEU A 116 9.018 3.070 -10.417 1.00 0.93 H new ATOM 0 HD11 LEU A 116 7.668 4.447 -8.900 1.00 1.27 H new ATOM 0 HD12 LEU A 116 7.118 4.587 -10.587 1.00 1.27 H new ATOM 0 HD13 LEU A 116 6.201 3.591 -9.432 1.00 1.27 H new ATOM 0 HD21 LEU A 116 8.668 2.338 -8.086 1.00 0.93 H new ATOM 0 HD22 LEU A 116 7.246 1.400 -8.600 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.866 0.954 -9.187 1.00 0.93 H new ATOM 1737 N THR A 117 9.107 1.221 -14.087 1.00 0.70 N ATOM 1738 CA THR A 117 9.469 0.174 -15.011 1.00 0.73 C ATOM 1739 C THR A 117 9.920 -1.078 -14.262 1.00 0.71 C ATOM 1740 O THR A 117 9.942 -1.094 -13.034 1.00 0.69 O ATOM 1741 CB THR A 117 10.604 0.663 -15.917 1.00 0.81 C ATOM 1742 OG1 THR A 117 11.558 1.386 -15.128 1.00 0.93 O ATOM 1743 CG2 THR A 117 10.060 1.560 -17.015 1.00 1.04 C ATOM 0 H THR A 117 9.880 1.833 -13.826 1.00 0.70 H new ATOM 0 HA THR A 117 8.595 -0.077 -15.612 1.00 0.73 H new ATOM 0 HB THR A 117 11.085 -0.198 -16.381 1.00 0.81 H new ATOM 0 HG1 THR A 117 12.287 1.700 -15.703 1.00 0.93 H new ATOM 0 HG21 THR A 117 10.880 1.898 -17.649 1.00 1.04 H new ATOM 0 HG22 THR A 117 9.342 1.003 -17.617 1.00 1.04 H new ATOM 0 HG23 THR A 117 9.567 2.424 -16.569 1.00 1.04 H new ATOM 1751 N ASP A 118 10.267 -2.120 -15.004 1.00 0.73 N ATOM 1752 CA ASP A 118 10.742 -3.371 -14.420 1.00 0.74 C ATOM 1753 C ASP A 118 12.031 -3.130 -13.637 1.00 0.73 C ATOM 1754 O ASP A 118 12.218 -3.650 -12.535 1.00 0.74 O ATOM 1755 CB ASP A 118 10.985 -4.401 -15.519 1.00 0.79 C ATOM 1756 CG ASP A 118 11.678 -5.635 -14.990 1.00 0.97 C ATOM 1757 OD1 ASP A 118 11.057 -6.371 -14.204 1.00 1.20 O ATOM 1758 OD2 ASP A 118 12.847 -5.868 -15.361 1.00 1.38 O ATOM 0 H ASP A 118 10.228 -2.125 -16.023 1.00 0.73 H new ATOM 0 HA ASP A 118 9.982 -3.752 -13.738 1.00 0.74 H new ATOM 0 HB2 ASP A 118 10.033 -4.684 -15.969 1.00 0.79 H new ATOM 0 HB3 ASP A 118 11.590 -3.955 -16.308 1.00 0.79 H new ATOM 1763 N GLU A 119 12.910 -2.324 -14.223 1.00 0.72 N ATOM 1764 CA GLU A 119 14.181 -1.969 -13.603 1.00 0.73 C ATOM 1765 C GLU A 119 13.929 -1.137 -12.354 1.00 0.70 C ATOM 1766 O GLU A 119 14.742 -1.104 -11.432 1.00 0.71 O ATOM 1767 CB GLU A 119 15.031 -1.176 -14.588 1.00 0.78 C ATOM 1768 CG GLU A 119 16.489 -1.071 -14.188 1.00 1.15 C ATOM 1769 CD GLU A 119 17.417 -1.450 -15.321 1.00 1.69 C ATOM 1770 OE1 GLU A 119 17.490 -0.695 -16.310 1.00 2.33 O ATOM 1771 OE2 GLU A 119 18.059 -2.517 -15.235 1.00 2.18 O ATOM 0 H GLU A 119 12.762 -1.900 -15.139 1.00 0.72 H new ATOM 0 HA GLU A 119 14.711 -2.880 -13.325 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.966 -1.645 -15.570 1.00 0.78 H new ATOM 0 HB3 GLU A 119 14.617 -0.172 -14.686 1.00 0.78 H new ATOM 0 HG2 GLU A 119 16.705 -0.051 -13.869 1.00 1.15 H new ATOM 0 HG3 GLU A 119 16.678 -1.720 -13.333 1.00 1.15 H new ATOM 1778 N GLU A 120 12.794 -0.457 -12.345 1.00 0.70 N ATOM 1779 CA GLU A 120 12.406 0.367 -11.217 1.00 0.69 C ATOM 1780 C GLU A 120 11.785 -0.513 -10.144 1.00 0.67 C ATOM 1781 O GLU A 120 12.047 -0.339 -8.958 1.00 0.68 O ATOM 1782 CB GLU A 120 11.411 1.449 -11.645 1.00 0.72 C ATOM 1783 CG GLU A 120 12.068 2.733 -12.134 1.00 0.85 C ATOM 1784 CD GLU A 120 12.722 3.522 -11.014 1.00 1.09 C ATOM 1785 OE1 GLU A 120 13.759 3.070 -10.487 1.00 1.86 O ATOM 1786 OE2 GLU A 120 12.205 4.603 -10.661 1.00 1.33 O ATOM 0 H GLU A 120 12.123 -0.461 -13.113 1.00 0.70 H new ATOM 0 HA GLU A 120 13.294 0.861 -10.822 1.00 0.69 H new ATOM 0 HB2 GLU A 120 10.777 1.052 -12.438 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.760 1.684 -10.803 1.00 0.72 H new ATOM 0 HG2 GLU A 120 12.818 2.488 -12.886 1.00 0.85 H new ATOM 0 HG3 GLU A 120 11.319 3.356 -12.622 1.00 0.85 H new ATOM 1793 N VAL A 121 10.978 -1.478 -10.578 1.00 0.66 N ATOM 1794 CA VAL A 121 10.316 -2.405 -9.668 1.00 0.66 C ATOM 1795 C VAL A 121 11.354 -3.170 -8.847 1.00 0.64 C ATOM 1796 O VAL A 121 11.206 -3.342 -7.638 1.00 0.63 O ATOM 1797 CB VAL A 121 9.410 -3.411 -10.427 1.00 0.70 C ATOM 1798 CG1 VAL A 121 8.933 -4.514 -9.495 1.00 0.71 C ATOM 1799 CG2 VAL A 121 8.216 -2.702 -11.064 1.00 0.76 C ATOM 0 H VAL A 121 10.767 -1.638 -11.563 1.00 0.66 H new ATOM 0 HA VAL A 121 9.684 -1.815 -9.005 1.00 0.66 H new ATOM 0 HB VAL A 121 10.004 -3.861 -11.223 1.00 0.70 H new ATOM 0 HG11 VAL A 121 8.299 -5.208 -10.047 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.794 -5.049 -9.094 1.00 0.71 H new ATOM 0 HG13 VAL A 121 8.363 -4.077 -8.675 1.00 0.71 H new ATOM 0 HG21 VAL A 121 7.598 -3.430 -11.589 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.624 -2.217 -10.288 1.00 0.76 H new ATOM 0 HG23 VAL A 121 8.572 -1.952 -11.770 1.00 0.76 H new ATOM 1809 N ASP A 122 12.417 -3.600 -9.512 1.00 0.65 N ATOM 1810 CA ASP A 122 13.494 -4.336 -8.858 1.00 0.66 C ATOM 1811 C ASP A 122 14.301 -3.415 -7.940 1.00 0.65 C ATOM 1812 O ASP A 122 14.834 -3.845 -6.911 1.00 0.66 O ATOM 1813 CB ASP A 122 14.398 -4.966 -9.917 1.00 0.71 C ATOM 1814 CG ASP A 122 15.556 -5.738 -9.322 1.00 0.81 C ATOM 1815 OD1 ASP A 122 16.626 -5.132 -9.075 1.00 0.96 O ATOM 1816 OD2 ASP A 122 15.410 -6.957 -9.122 1.00 0.89 O ATOM 0 H ASP A 122 12.559 -3.451 -10.511 1.00 0.65 H new ATOM 0 HA ASP A 122 13.061 -5.125 -8.243 1.00 0.66 H new ATOM 0 HB2 ASP A 122 13.805 -5.634 -10.542 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.787 -4.183 -10.568 1.00 0.71 H new ATOM 1821 N GLU A 123 14.356 -2.140 -8.310 1.00 0.66 N ATOM 1822 CA GLU A 123 15.086 -1.135 -7.544 1.00 0.68 C ATOM 1823 C GLU A 123 14.367 -0.845 -6.236 1.00 0.66 C ATOM 1824 O GLU A 123 14.977 -0.856 -5.167 1.00 0.66 O ATOM 1825 CB GLU A 123 15.214 0.154 -8.363 1.00 0.75 C ATOM 1826 CG GLU A 123 16.247 1.133 -7.828 1.00 0.86 C ATOM 1827 CD GLU A 123 17.644 0.550 -7.792 1.00 0.91 C ATOM 1828 OE1 GLU A 123 18.024 -0.171 -8.736 1.00 1.13 O ATOM 1829 OE2 GLU A 123 18.368 0.804 -6.808 1.00 1.20 O ATOM 0 H GLU A 123 13.898 -1.775 -9.145 1.00 0.66 H new ATOM 0 HA GLU A 123 16.081 -1.519 -7.321 1.00 0.68 H new ATOM 0 HB2 GLU A 123 15.473 -0.105 -9.389 1.00 0.75 H new ATOM 0 HB3 GLU A 123 14.243 0.649 -8.395 1.00 0.75 H new ATOM 0 HG2 GLU A 123 16.248 2.029 -8.449 1.00 0.86 H new ATOM 0 HG3 GLU A 123 15.961 1.442 -6.823 1.00 0.86 H new ATOM 1836 N MET A 124 13.066 -0.601 -6.332 1.00 0.67 N ATOM 1837 CA MET A 124 12.260 -0.310 -5.158 1.00 0.69 C ATOM 1838 C MET A 124 12.224 -1.510 -4.234 1.00 0.69 C ATOM 1839 O MET A 124 12.313 -1.359 -3.032 1.00 0.76 O ATOM 1840 CB MET A 124 10.833 0.098 -5.548 1.00 0.72 C ATOM 1841 CG MET A 124 9.858 0.086 -4.374 1.00 0.64 C ATOM 1842 SD MET A 124 8.281 0.874 -4.757 1.00 0.61 S ATOM 1843 CE MET A 124 7.222 0.045 -3.572 1.00 0.68 C ATOM 0 H MET A 124 12.549 -0.599 -7.211 1.00 0.67 H new ATOM 0 HA MET A 124 12.721 0.529 -4.636 1.00 0.69 H new ATOM 0 HB2 MET A 124 10.855 1.097 -5.983 1.00 0.72 H new ATOM 0 HB3 MET A 124 10.468 -0.578 -6.321 1.00 0.72 H new ATOM 0 HG2 MET A 124 9.678 -0.945 -4.069 1.00 0.64 H new ATOM 0 HG3 MET A 124 10.315 0.594 -3.525 1.00 0.64 H new ATOM 0 HE1 MET A 124 6.178 0.223 -3.830 1.00 0.68 H new ATOM 0 HE2 MET A 124 7.423 -1.026 -3.591 1.00 0.68 H new ATOM 0 HE3 MET A 124 7.420 0.433 -2.573 1.00 0.68 H new ATOM 1853 N ILE A 125 12.144 -2.711 -4.809 1.00 0.65 N ATOM 1854 CA ILE A 125 12.084 -3.944 -4.017 1.00 0.68 C ATOM 1855 C ILE A 125 13.212 -4.018 -2.975 1.00 0.66 C ATOM 1856 O ILE A 125 13.045 -4.613 -1.909 1.00 0.64 O ATOM 1857 CB ILE A 125 12.109 -5.211 -4.922 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.678 -5.647 -5.269 1.00 0.71 C ATOM 1859 CG2 ILE A 125 12.870 -6.363 -4.264 1.00 0.90 C ATOM 1860 CD1 ILE A 125 9.838 -6.059 -4.071 1.00 0.92 C ATOM 0 H ILE A 125 12.119 -2.858 -5.818 1.00 0.65 H new ATOM 0 HA ILE A 125 11.134 -3.919 -3.484 1.00 0.68 H new ATOM 0 HB ILE A 125 12.635 -4.950 -5.840 1.00 0.71 H new ATOM 0 HG12 ILE A 125 10.177 -4.828 -5.784 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.725 -6.482 -5.968 1.00 0.71 H new ATOM 0 HG21 ILE A 125 12.865 -7.228 -4.927 1.00 0.90 H new ATOM 0 HG22 ILE A 125 13.899 -6.058 -4.074 1.00 0.90 H new ATOM 0 HG23 ILE A 125 12.389 -6.625 -3.321 1.00 0.90 H new ATOM 0 HD11 ILE A 125 8.843 -6.351 -4.407 1.00 0.92 H new ATOM 0 HD12 ILE A 125 10.312 -6.901 -3.566 1.00 0.92 H new ATOM 0 HD13 ILE A 125 9.755 -5.221 -3.379 1.00 0.92 H new ATOM 1872 N ARG A 126 14.341 -3.373 -3.257 1.00 0.73 N ATOM 1873 CA ARG A 126 15.479 -3.404 -2.345 1.00 0.77 C ATOM 1874 C ARG A 126 15.408 -2.295 -1.286 1.00 0.77 C ATOM 1875 O ARG A 126 16.436 -1.897 -0.734 1.00 0.87 O ATOM 1876 CB ARG A 126 16.795 -3.313 -3.129 1.00 0.81 C ATOM 1877 CG ARG A 126 17.247 -4.642 -3.726 1.00 0.93 C ATOM 1878 CD ARG A 126 18.433 -4.459 -4.660 1.00 0.94 C ATOM 1879 NE ARG A 126 18.021 -4.179 -6.036 1.00 0.90 N ATOM 1880 CZ ARG A 126 18.237 -3.024 -6.665 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.821 -2.011 -6.032 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.870 -2.890 -7.937 1.00 0.89 N ATOM 0 H ARG A 126 14.491 -2.826 -4.105 1.00 0.73 H new ATOM 0 HA ARG A 126 15.442 -4.356 -1.816 1.00 0.77 H new ATOM 0 HB2 ARG A 126 16.680 -2.585 -3.932 1.00 0.81 H new ATOM 0 HB3 ARG A 126 17.576 -2.938 -2.468 1.00 0.81 H new ATOM 0 HG2 ARG A 126 17.517 -5.329 -2.924 1.00 0.93 H new ATOM 0 HG3 ARG A 126 16.420 -5.097 -4.271 1.00 0.93 H new ATOM 0 HD2 ARG A 126 19.056 -3.641 -4.296 1.00 0.94 H new ATOM 0 HD3 ARG A 126 19.047 -5.359 -4.644 1.00 0.94 H new ATOM 0 HE ARG A 126 17.536 -4.917 -6.548 1.00 0.90 H new ATOM 0 HH11 ARG A 126 19.107 -2.115 -5.058 1.00 0.81 H new ATOM 0 HH12 ARG A 126 18.983 -1.130 -6.520 1.00 0.81 H new ATOM 0 HH21 ARG A 126 17.426 -3.668 -8.425 1.00 0.89 H new ATOM 0 HH22 ARG A 126 18.032 -2.009 -8.424 1.00 0.89 H new ATOM 1896 N GLU A 127 14.204 -1.799 -0.996 1.00 0.76 N ATOM 1897 CA GLU A 127 14.039 -0.761 0.022 1.00 0.77 C ATOM 1898 C GLU A 127 13.807 -1.412 1.385 1.00 0.74 C ATOM 1899 O GLU A 127 14.312 -0.947 2.407 1.00 0.75 O ATOM 1900 CB GLU A 127 12.895 0.213 -0.344 1.00 0.88 C ATOM 1901 CG GLU A 127 11.521 -0.155 0.206 1.00 0.97 C ATOM 1902 CD GLU A 127 10.807 -1.182 -0.633 1.00 1.39 C ATOM 1903 OE1 GLU A 127 11.142 -2.377 -0.520 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.915 -0.796 -1.407 1.00 1.87 O ATOM 0 H GLU A 127 13.338 -2.095 -1.446 1.00 0.76 H new ATOM 0 HA GLU A 127 14.952 -0.168 0.070 1.00 0.77 H new ATOM 0 HB2 GLU A 127 13.158 1.207 0.017 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.828 0.276 -1.430 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.632 -0.537 1.221 1.00 0.97 H new ATOM 0 HG3 GLU A 127 10.908 0.744 0.269 1.00 0.97 H new ATOM 1911 N ALA A 128 13.020 -2.481 1.392 1.00 0.78 N ATOM 1912 CA ALA A 128 12.733 -3.225 2.608 1.00 0.82 C ATOM 1913 C ALA A 128 13.471 -4.553 2.614 1.00 0.74 C ATOM 1914 O ALA A 128 13.588 -5.207 3.653 1.00 0.76 O ATOM 1915 CB ALA A 128 11.243 -3.471 2.746 1.00 0.96 C ATOM 0 H ALA A 128 12.566 -2.854 0.558 1.00 0.78 H new ATOM 0 HA ALA A 128 13.074 -2.627 3.453 1.00 0.82 H new ATOM 0 HB1 ALA A 128 11.050 -4.029 3.662 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.719 -2.516 2.785 1.00 0.96 H new ATOM 0 HB3 ALA A 128 10.888 -4.045 1.890 1.00 0.96 H new ATOM 1921 N ASP A 129 13.958 -4.942 1.445 1.00 0.71 N ATOM 1922 CA ASP A 129 14.681 -6.199 1.290 1.00 0.68 C ATOM 1923 C ASP A 129 16.086 -6.079 1.861 1.00 0.71 C ATOM 1924 O ASP A 129 17.031 -5.701 1.167 1.00 0.78 O ATOM 1925 CB ASP A 129 14.741 -6.606 -0.183 1.00 0.69 C ATOM 1926 CG ASP A 129 14.963 -8.089 -0.355 1.00 0.71 C ATOM 1927 OD1 ASP A 129 14.077 -8.869 0.036 1.00 0.87 O ATOM 1928 OD2 ASP A 129 16.020 -8.483 -0.878 1.00 0.76 O ATOM 0 H ASP A 129 13.866 -4.403 0.584 1.00 0.71 H new ATOM 0 HA ASP A 129 14.146 -6.972 1.842 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.812 -6.320 -0.676 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.545 -6.060 -0.677 1.00 0.69 H new ATOM 1933 N ILE A 130 16.206 -6.391 3.139 1.00 0.74 N ATOM 1934 CA ILE A 130 17.478 -6.310 3.838 1.00 0.81 C ATOM 1935 C ILE A 130 18.296 -7.579 3.624 1.00 0.84 C ATOM 1936 O ILE A 130 19.515 -7.522 3.482 1.00 0.92 O ATOM 1937 CB ILE A 130 17.256 -6.078 5.350 1.00 0.88 C ATOM 1938 CG1 ILE A 130 16.378 -4.842 5.568 1.00 0.86 C ATOM 1939 CG2 ILE A 130 18.577 -5.935 6.098 1.00 1.01 C ATOM 1940 CD1 ILE A 130 16.994 -3.544 5.078 1.00 0.88 C ATOM 0 H ILE A 130 15.429 -6.706 3.720 1.00 0.74 H new ATOM 0 HA ILE A 130 18.031 -5.464 3.429 1.00 0.81 H new ATOM 0 HB ILE A 130 16.747 -6.953 5.753 1.00 0.88 H new ATOM 0 HG12 ILE A 130 15.426 -4.993 5.060 1.00 0.86 H new ATOM 0 HG13 ILE A 130 16.160 -4.748 6.632 1.00 0.86 H new ATOM 0 HG21 ILE A 130 18.379 -5.773 7.158 1.00 1.01 H new ATOM 0 HG22 ILE A 130 19.166 -6.844 5.973 1.00 1.01 H new ATOM 0 HG23 ILE A 130 19.131 -5.086 5.698 1.00 1.01 H new ATOM 0 HD11 ILE A 130 16.307 -2.720 5.271 1.00 0.88 H new ATOM 0 HD12 ILE A 130 17.932 -3.365 5.604 1.00 0.88 H new ATOM 0 HD13 ILE A 130 17.186 -3.614 4.007 1.00 0.88 H new ATOM 1952 N ASP A 131 17.611 -8.721 3.574 1.00 0.83 N ATOM 1953 CA ASP A 131 18.273 -10.015 3.378 1.00 0.87 C ATOM 1954 C ASP A 131 18.962 -10.090 2.013 1.00 0.89 C ATOM 1955 O ASP A 131 19.961 -10.793 1.853 1.00 0.98 O ATOM 1956 CB ASP A 131 17.279 -11.185 3.541 1.00 0.88 C ATOM 1957 CG ASP A 131 16.012 -11.040 2.711 1.00 0.84 C ATOM 1958 OD1 ASP A 131 16.041 -10.389 1.654 1.00 1.02 O ATOM 1959 OD2 ASP A 131 14.957 -11.570 3.117 1.00 0.88 O ATOM 0 H ASP A 131 16.597 -8.779 3.666 1.00 0.83 H new ATOM 0 HA ASP A 131 19.037 -10.104 4.150 1.00 0.87 H new ATOM 0 HB2 ASP A 131 17.778 -12.114 3.264 1.00 0.88 H new ATOM 0 HB3 ASP A 131 17.005 -11.272 4.592 1.00 0.88 H new ATOM 1964 N GLY A 132 18.430 -9.360 1.042 1.00 0.87 N ATOM 1965 CA GLY A 132 19.000 -9.358 -0.286 1.00 0.92 C ATOM 1966 C GLY A 132 18.555 -10.563 -1.080 1.00 0.92 C ATOM 1967 O GLY A 132 19.310 -11.102 -1.893 1.00 0.94 O ATOM 0 H GLY A 132 17.608 -8.766 1.154 1.00 0.87 H new ATOM 0 HA2 GLY A 132 18.706 -8.448 -0.808 1.00 0.92 H new ATOM 0 HA3 GLY A 132 20.088 -9.348 -0.216 1.00 0.92 H new ATOM 1971 N ASP A 133 17.331 -10.998 -0.832 1.00 0.94 N ATOM 1972 CA ASP A 133 16.778 -12.147 -1.528 1.00 0.94 C ATOM 1973 C ASP A 133 15.892 -11.694 -2.690 1.00 0.89 C ATOM 1974 O ASP A 133 15.694 -12.437 -3.656 1.00 0.95 O ATOM 1975 CB ASP A 133 16.015 -13.051 -0.542 1.00 0.91 C ATOM 1976 CG ASP A 133 14.512 -12.841 -0.546 1.00 0.84 C ATOM 1977 OD1 ASP A 133 14.046 -11.828 0.017 1.00 0.79 O ATOM 1978 OD2 ASP A 133 13.791 -13.705 -1.092 1.00 0.95 O ATOM 0 H ASP A 133 16.701 -10.572 -0.153 1.00 0.94 H new ATOM 0 HA ASP A 133 17.593 -12.734 -1.951 1.00 0.94 H new ATOM 0 HB2 ASP A 133 16.226 -14.093 -0.783 1.00 0.91 H new ATOM 0 HB3 ASP A 133 16.393 -12.873 0.465 1.00 0.91 H new ATOM 1983 N GLY A 134 15.391 -10.466 -2.611 1.00 0.84 N ATOM 1984 CA GLY A 134 14.550 -9.932 -3.670 1.00 0.84 C ATOM 1985 C GLY A 134 13.067 -10.110 -3.405 1.00 0.74 C ATOM 1986 O GLY A 134 12.241 -9.922 -4.302 1.00 0.78 O ATOM 0 H GLY A 134 15.552 -9.828 -1.831 1.00 0.84 H new ATOM 0 HA2 GLY A 134 14.765 -8.871 -3.795 1.00 0.84 H new ATOM 0 HA3 GLY A 134 14.806 -10.422 -4.610 1.00 0.84 H new ATOM 1990 N GLN A 135 12.728 -10.480 -2.182 1.00 0.69 N ATOM 1991 CA GLN A 135 11.340 -10.677 -1.800 1.00 0.65 C ATOM 1992 C GLN A 135 11.076 -10.049 -0.441 1.00 0.63 C ATOM 1993 O GLN A 135 11.605 -10.499 0.574 1.00 0.73 O ATOM 1994 CB GLN A 135 10.988 -12.166 -1.748 1.00 0.68 C ATOM 1995 CG GLN A 135 11.341 -12.929 -3.014 1.00 0.77 C ATOM 1996 CD GLN A 135 10.576 -14.229 -3.138 1.00 0.88 C ATOM 1997 OE1 GLN A 135 9.533 -14.293 -3.789 1.00 1.26 O ATOM 1998 NE2 GLN A 135 11.082 -15.269 -2.498 1.00 1.23 N ATOM 0 H GLN A 135 13.399 -10.651 -1.433 1.00 0.69 H new ATOM 0 HA GLN A 135 10.715 -10.197 -2.553 1.00 0.65 H new ATOM 0 HB2 GLN A 135 11.506 -12.622 -0.905 1.00 0.68 H new ATOM 0 HB3 GLN A 135 9.919 -12.270 -1.559 1.00 0.68 H new ATOM 0 HG2 GLN A 135 11.132 -12.304 -3.882 1.00 0.77 H new ATOM 0 HG3 GLN A 135 12.411 -13.138 -3.022 1.00 0.77 H new ATOM 0 HE21 GLN A 135 11.949 -15.170 -1.970 1.00 1.23 H new ATOM 0 HE22 GLN A 135 10.605 -16.170 -2.532 1.00 1.23 H new ATOM 2007 N VAL A 136 10.264 -9.005 -0.430 1.00 0.60 N ATOM 2008 CA VAL A 136 9.918 -8.308 0.799 1.00 0.59 C ATOM 2009 C VAL A 136 8.861 -9.105 1.564 1.00 0.58 C ATOM 2010 O VAL A 136 7.735 -9.274 1.088 1.00 0.61 O ATOM 2011 CB VAL A 136 9.364 -6.886 0.514 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.978 -6.171 1.799 1.00 0.59 C ATOM 2013 CG2 VAL A 136 10.359 -6.044 -0.271 1.00 0.69 C ATOM 0 H VAL A 136 9.828 -8.618 -1.267 1.00 0.60 H new ATOM 0 HA VAL A 136 10.828 -8.213 1.392 1.00 0.59 H new ATOM 0 HB VAL A 136 8.468 -7.014 -0.093 1.00 0.60 H new ATOM 0 HG11 VAL A 136 8.594 -5.179 1.562 1.00 0.59 H new ATOM 0 HG12 VAL A 136 8.208 -6.743 2.317 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.854 -6.078 2.441 1.00 0.59 H new ATOM 0 HG21 VAL A 136 9.936 -5.056 -0.452 1.00 0.69 H new ATOM 0 HG22 VAL A 136 11.282 -5.945 0.300 1.00 0.69 H new ATOM 0 HG23 VAL A 136 10.572 -6.527 -1.224 1.00 0.69 H new ATOM 2023 N ASN A 137 9.226 -9.630 2.728 1.00 0.58 N ATOM 2024 CA ASN A 137 8.278 -10.393 3.532 1.00 0.59 C ATOM 2025 C ASN A 137 7.575 -9.499 4.547 1.00 0.59 C ATOM 2026 O ASN A 137 7.685 -8.274 4.497 1.00 0.59 O ATOM 2027 CB ASN A 137 8.950 -11.583 4.237 1.00 0.61 C ATOM 2028 CG ASN A 137 10.038 -11.197 5.231 1.00 0.63 C ATOM 2029 OD1 ASN A 137 10.009 -10.131 5.839 1.00 0.97 O ATOM 2030 ND2 ASN A 137 11.005 -12.085 5.414 1.00 0.86 N ATOM 0 H ASN A 137 10.158 -9.544 3.132 1.00 0.58 H new ATOM 0 HA ASN A 137 7.531 -10.794 2.847 1.00 0.59 H new ATOM 0 HB2 ASN A 137 8.186 -12.158 4.760 1.00 0.61 H new ATOM 0 HB3 ASN A 137 9.382 -12.240 3.482 1.00 0.61 H new ATOM 0 HD21 ASN A 137 11.756 -11.892 6.077 1.00 0.86 H new ATOM 0 HD22 ASN A 137 10.998 -12.961 4.892 1.00 0.86 H new ATOM 2037 N TYR A 138 6.847 -10.129 5.468 1.00 0.61 N ATOM 2038 CA TYR A 138 6.096 -9.415 6.496 1.00 0.63 C ATOM 2039 C TYR A 138 6.997 -8.511 7.327 1.00 0.63 C ATOM 2040 O TYR A 138 6.765 -7.307 7.417 1.00 0.65 O ATOM 2041 CB TYR A 138 5.377 -10.402 7.419 1.00 0.67 C ATOM 2042 CG TYR A 138 3.904 -10.102 7.606 1.00 0.72 C ATOM 2043 CD1 TYR A 138 2.995 -10.299 6.573 1.00 0.90 C ATOM 2044 CD2 TYR A 138 3.423 -9.621 8.818 1.00 0.89 C ATOM 2045 CE1 TYR A 138 1.650 -10.021 6.742 1.00 1.10 C ATOM 2046 CE2 TYR A 138 2.080 -9.344 8.994 1.00 1.04 C ATOM 2047 CZ TYR A 138 1.198 -9.545 7.954 1.00 1.10 C ATOM 2048 OH TYR A 138 -0.141 -9.267 8.130 1.00 1.35 O ATOM 0 H TYR A 138 6.762 -11.144 5.522 1.00 0.61 H new ATOM 0 HA TYR A 138 5.363 -8.792 5.984 1.00 0.63 H new ATOM 0 HB2 TYR A 138 5.485 -11.408 7.014 1.00 0.67 H new ATOM 0 HB3 TYR A 138 5.866 -10.396 8.393 1.00 0.67 H new ATOM 0 HD1 TYR A 138 3.344 -10.675 5.623 1.00 0.90 H new ATOM 0 HD2 TYR A 138 4.110 -9.461 9.636 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.958 -10.176 5.928 1.00 1.10 H new ATOM 0 HE2 TYR A 138 1.723 -8.971 9.943 1.00 1.04 H new ATOM 0 HH TYR A 138 -0.290 -8.941 9.042 1.00 1.35 H new ATOM 2058 N GLU A 139 8.043 -9.094 7.903 1.00 0.64 N ATOM 2059 CA GLU A 139 8.961 -8.355 8.761 1.00 0.66 C ATOM 2060 C GLU A 139 9.604 -7.191 8.024 1.00 0.62 C ATOM 2061 O GLU A 139 9.617 -6.062 8.518 1.00 0.60 O ATOM 2062 CB GLU A 139 10.048 -9.285 9.298 1.00 0.72 C ATOM 2063 CG GLU A 139 10.855 -8.678 10.430 1.00 1.39 C ATOM 2064 CD GLU A 139 10.593 -9.355 11.750 1.00 1.99 C ATOM 2065 OE1 GLU A 139 9.466 -9.238 12.272 1.00 2.60 O ATOM 2066 OE2 GLU A 139 11.515 -10.010 12.272 1.00 2.39 O ATOM 0 H GLU A 139 8.276 -10.081 7.790 1.00 0.64 H new ATOM 0 HA GLU A 139 8.381 -7.952 9.591 1.00 0.66 H new ATOM 0 HB2 GLU A 139 9.586 -10.209 9.646 1.00 0.72 H new ATOM 0 HB3 GLU A 139 10.722 -9.552 8.484 1.00 0.72 H new ATOM 0 HG2 GLU A 139 11.917 -8.748 10.194 1.00 1.39 H new ATOM 0 HG3 GLU A 139 10.616 -7.618 10.515 1.00 1.39 H new ATOM 2073 N GLU A 140 10.128 -7.469 6.842 1.00 0.61 N ATOM 2074 CA GLU A 140 10.793 -6.453 6.035 1.00 0.59 C ATOM 2075 C GLU A 140 9.848 -5.289 5.726 1.00 0.55 C ATOM 2076 O GLU A 140 10.219 -4.120 5.856 1.00 0.55 O ATOM 2077 CB GLU A 140 11.326 -7.079 4.742 1.00 0.60 C ATOM 2078 CG GLU A 140 12.470 -8.059 4.962 1.00 0.63 C ATOM 2079 CD GLU A 140 12.855 -8.795 3.697 1.00 0.62 C ATOM 2080 OE1 GLU A 140 12.017 -9.536 3.145 1.00 0.63 O ATOM 2081 OE2 GLU A 140 14.007 -8.656 3.238 1.00 0.66 O ATOM 0 H GLU A 140 10.107 -8.395 6.416 1.00 0.61 H new ATOM 0 HA GLU A 140 11.632 -6.054 6.604 1.00 0.59 H new ATOM 0 HB2 GLU A 140 10.510 -7.595 4.235 1.00 0.60 H new ATOM 0 HB3 GLU A 140 11.663 -6.284 4.076 1.00 0.60 H new ATOM 0 HG2 GLU A 140 13.337 -7.520 5.343 1.00 0.63 H new ATOM 0 HG3 GLU A 140 12.183 -8.782 5.726 1.00 0.63 H new ATOM 2088 N PHE A 141 8.613 -5.614 5.368 1.00 0.55 N ATOM 2089 CA PHE A 141 7.612 -4.605 5.035 1.00 0.54 C ATOM 2090 C PHE A 141 7.206 -3.791 6.265 1.00 0.55 C ATOM 2091 O PHE A 141 7.079 -2.566 6.196 1.00 0.56 O ATOM 2092 CB PHE A 141 6.393 -5.289 4.412 1.00 0.62 C ATOM 2093 CG PHE A 141 5.362 -4.341 3.867 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.572 -3.674 2.671 1.00 0.59 C ATOM 2095 CD2 PHE A 141 4.179 -4.124 4.553 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.619 -2.808 2.170 1.00 0.68 C ATOM 2097 CE2 PHE A 141 3.224 -3.258 4.057 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.444 -2.601 2.864 1.00 0.79 C ATOM 0 H PHE A 141 8.277 -6.575 5.300 1.00 0.55 H new ATOM 0 HA PHE A 141 8.044 -3.908 4.317 1.00 0.54 H new ATOM 0 HB2 PHE A 141 6.730 -5.943 3.607 1.00 0.62 H new ATOM 0 HB3 PHE A 141 5.924 -5.924 5.163 1.00 0.62 H new ATOM 0 HD1 PHE A 141 6.490 -3.833 2.125 1.00 0.59 H new ATOM 0 HD2 PHE A 141 4.001 -4.638 5.486 1.00 0.80 H new ATOM 0 HE1 PHE A 141 4.793 -2.294 1.236 1.00 0.68 H new ATOM 0 HE2 PHE A 141 2.306 -3.095 4.602 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.697 -1.925 2.473 1.00 0.79 H new ATOM 2108 N VAL A 142 7.014 -4.467 7.393 1.00 0.57 N ATOM 2109 CA VAL A 142 6.627 -3.794 8.626 1.00 0.60 C ATOM 2110 C VAL A 142 7.671 -2.747 9.025 1.00 0.59 C ATOM 2111 O VAL A 142 7.334 -1.599 9.312 1.00 0.58 O ATOM 2112 CB VAL A 142 6.433 -4.806 9.782 1.00 0.65 C ATOM 2113 CG1 VAL A 142 6.245 -4.086 11.108 1.00 0.70 C ATOM 2114 CG2 VAL A 142 5.243 -5.718 9.511 1.00 0.66 C ATOM 0 H VAL A 142 7.120 -5.478 7.478 1.00 0.57 H new ATOM 0 HA VAL A 142 5.676 -3.295 8.440 1.00 0.60 H new ATOM 0 HB VAL A 142 7.334 -5.417 9.842 1.00 0.65 H new ATOM 0 HG11 VAL A 142 6.111 -4.819 11.904 1.00 0.70 H new ATOM 0 HG12 VAL A 142 7.124 -3.477 11.319 1.00 0.70 H new ATOM 0 HG13 VAL A 142 5.365 -3.445 11.052 1.00 0.70 H new ATOM 0 HG21 VAL A 142 5.127 -6.420 10.337 1.00 0.66 H new ATOM 0 HG22 VAL A 142 4.338 -5.117 9.416 1.00 0.66 H new ATOM 0 HG23 VAL A 142 5.411 -6.270 8.586 1.00 0.66 H new ATOM 2124 N GLN A 143 8.941 -3.132 8.993 1.00 0.61 N ATOM 2125 CA GLN A 143 10.034 -2.229 9.366 1.00 0.62 C ATOM 2126 C GLN A 143 10.226 -1.103 8.357 1.00 0.59 C ATOM 2127 O GLN A 143 10.975 -0.164 8.602 1.00 0.69 O ATOM 2128 CB GLN A 143 11.339 -3.011 9.491 1.00 0.72 C ATOM 2129 CG GLN A 143 11.241 -4.190 10.434 1.00 1.03 C ATOM 2130 CD GLN A 143 12.540 -4.955 10.545 1.00 1.17 C ATOM 2131 OE1 GLN A 143 13.382 -4.646 11.384 1.00 1.50 O ATOM 2132 NE2 GLN A 143 12.711 -5.951 9.693 1.00 1.47 N ATOM 0 H GLN A 143 9.245 -4.065 8.713 1.00 0.61 H new ATOM 0 HA GLN A 143 9.764 -1.782 10.323 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.637 -3.367 8.505 1.00 0.72 H new ATOM 0 HB3 GLN A 143 12.125 -2.340 9.839 1.00 0.72 H new ATOM 0 HG2 GLN A 143 10.946 -3.837 11.422 1.00 1.03 H new ATOM 0 HG3 GLN A 143 10.456 -4.863 10.089 1.00 1.03 H new ATOM 0 HE21 GLN A 143 11.983 -6.171 9.013 1.00 1.47 H new ATOM 0 HE22 GLN A 143 13.571 -6.499 9.715 1.00 1.47 H new ATOM 2141 N MET A 144 9.545 -1.179 7.229 1.00 0.57 N ATOM 2142 CA MET A 144 9.698 -0.156 6.208 1.00 0.62 C ATOM 2143 C MET A 144 8.519 0.805 6.188 1.00 0.62 C ATOM 2144 O MET A 144 8.695 2.004 5.992 1.00 0.70 O ATOM 2145 CB MET A 144 9.867 -0.805 4.836 1.00 0.72 C ATOM 2146 CG MET A 144 10.963 -0.171 3.989 1.00 0.84 C ATOM 2147 SD MET A 144 10.520 1.458 3.358 1.00 0.89 S ATOM 2148 CE MET A 144 9.183 1.020 2.253 1.00 0.88 C ATOM 0 H MET A 144 8.890 -1.926 6.997 1.00 0.57 H new ATOM 0 HA MET A 144 10.591 0.421 6.450 1.00 0.62 H new ATOM 0 HB2 MET A 144 10.090 -1.864 4.970 1.00 0.72 H new ATOM 0 HB3 MET A 144 8.922 -0.744 4.296 1.00 0.72 H new ATOM 0 HG2 MET A 144 11.872 -0.088 4.585 1.00 0.84 H new ATOM 0 HG3 MET A 144 11.191 -0.829 3.150 1.00 0.84 H new ATOM 0 HE1 MET A 144 9.168 1.709 1.409 1.00 0.88 H new ATOM 0 HE2 MET A 144 9.330 0.003 1.889 1.00 0.88 H new ATOM 0 HE3 MET A 144 8.235 1.080 2.787 1.00 0.88 H new ATOM 2158 N MET A 145 7.322 0.286 6.405 1.00 0.62 N ATOM 2159 CA MET A 145 6.125 1.113 6.371 1.00 0.70 C ATOM 2160 C MET A 145 5.746 1.618 7.760 1.00 0.69 C ATOM 2161 O MET A 145 5.448 2.798 7.941 1.00 0.74 O ATOM 2162 CB MET A 145 4.964 0.326 5.758 1.00 0.81 C ATOM 2163 CG MET A 145 3.793 1.201 5.339 1.00 1.05 C ATOM 2164 SD MET A 145 2.485 0.285 4.501 1.00 0.94 S ATOM 2165 CE MET A 145 1.616 -0.405 5.907 1.00 1.47 C ATOM 0 H MET A 145 7.152 -0.700 6.606 1.00 0.62 H new ATOM 0 HA MET A 145 6.339 1.985 5.752 1.00 0.70 H new ATOM 0 HB2 MET A 145 5.326 -0.223 4.889 1.00 0.81 H new ATOM 0 HB3 MET A 145 4.615 -0.413 6.479 1.00 0.81 H new ATOM 0 HG2 MET A 145 3.378 1.688 6.221 1.00 1.05 H new ATOM 0 HG3 MET A 145 4.155 1.990 4.680 1.00 1.05 H new ATOM 0 HE1 MET A 145 1.210 -1.381 5.641 1.00 1.47 H new ATOM 0 HE2 MET A 145 2.306 -0.515 6.743 1.00 1.47 H new ATOM 0 HE3 MET A 145 0.802 0.260 6.194 1.00 1.47 H new ATOM 2175 N THR A 146 5.782 0.726 8.736 1.00 0.68 N ATOM 2176 CA THR A 146 5.421 1.064 10.103 1.00 0.74 C ATOM 2177 C THR A 146 6.573 1.744 10.850 1.00 0.81 C ATOM 2178 O THR A 146 6.372 2.379 11.885 1.00 0.94 O ATOM 2179 CB THR A 146 4.975 -0.203 10.854 1.00 0.89 C ATOM 2180 OG1 THR A 146 3.990 -0.898 10.074 1.00 0.93 O ATOM 2181 CG2 THR A 146 4.406 0.138 12.223 1.00 1.07 C ATOM 0 H THR A 146 6.060 -0.247 8.605 1.00 0.68 H new ATOM 0 HA THR A 146 4.596 1.775 10.062 1.00 0.74 H new ATOM 0 HB THR A 146 5.847 -0.841 11.003 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.110 -0.494 10.224 1.00 0.93 H new ATOM 0 HG21 THR A 146 4.100 -0.778 12.728 1.00 1.07 H new ATOM 0 HG22 THR A 146 5.167 0.644 12.818 1.00 1.07 H new ATOM 0 HG23 THR A 146 3.543 0.793 12.105 1.00 1.07 H new ATOM 2189 N ALA A 147 7.779 1.612 10.324 1.00 0.91 N ATOM 2190 CA ALA A 147 8.945 2.227 10.946 1.00 1.05 C ATOM 2191 C ALA A 147 9.630 3.182 9.979 1.00 1.22 C ATOM 2192 O ALA A 147 9.154 3.379 8.860 1.00 1.28 O ATOM 2193 CB ALA A 147 9.919 1.163 11.431 1.00 1.33 C ATOM 0 H ALA A 147 7.979 1.088 9.472 1.00 0.91 H new ATOM 0 HA ALA A 147 8.608 2.800 11.810 1.00 1.05 H new ATOM 0 HB1 ALA A 147 10.782 1.643 11.892 1.00 1.33 H new ATOM 0 HB2 ALA A 147 9.425 0.524 12.163 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.248 0.559 10.586 1.00 1.33 H new TER 2199 ALA A 147 ATOM 2200 N MET B 1 -11.186 -1.088 0.660 1.00 1.22 N ATOM 2201 CA MET B 1 -9.742 -1.126 1.024 1.00 0.87 C ATOM 2202 C MET B 1 -8.884 -0.802 -0.197 1.00 0.74 C ATOM 2203 O MET B 1 -7.674 -0.632 -0.101 1.00 0.83 O ATOM 2204 CB MET B 1 -9.349 -2.499 1.584 1.00 1.06 C ATOM 2205 CG MET B 1 -10.383 -3.113 2.518 1.00 1.77 C ATOM 2206 SD MET B 1 -9.754 -4.552 3.394 1.00 2.30 S ATOM 2207 CE MET B 1 -8.456 -3.788 4.362 1.00 2.55 C ATOM 0 H1 MET B 1 -11.761 -1.038 1.525 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.374 -0.252 0.071 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.433 -1.948 0.129 1.00 1.22 H new ATOM 0 HA MET B 1 -9.570 -0.377 1.797 1.00 0.87 H new ATOM 0 HB2 MET B 1 -9.177 -3.182 0.752 1.00 1.06 H new ATOM 0 HB3 MET B 1 -8.404 -2.403 2.119 1.00 1.06 H new ATOM 0 HG2 MET B 1 -10.705 -2.364 3.241 1.00 1.77 H new ATOM 0 HG3 MET B 1 -11.263 -3.399 1.942 1.00 1.77 H new ATOM 0 HE1 MET B 1 -8.190 -4.441 5.194 1.00 2.55 H new ATOM 0 HE2 MET B 1 -7.580 -3.626 3.733 1.00 2.55 H new ATOM 0 HE3 MET B 1 -8.806 -2.831 4.749 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.546 -0.733 -1.343 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.926 -0.433 -2.628 1.00 0.78 C ATOM 2221 C ASP B 2 -8.277 0.949 -2.614 1.00 0.70 C ATOM 2222 O ASP B 2 -7.063 1.071 -2.757 1.00 0.70 O ATOM 2223 CB ASP B 2 -9.988 -0.499 -3.740 1.00 0.98 C ATOM 2224 CG ASP B 2 -11.381 -0.805 -3.201 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.816 -0.126 -2.231 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -12.021 -1.733 -3.713 1.00 1.88 O ATOM 0 H ASP B 2 -10.552 -0.887 -1.408 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.148 -1.173 -2.817 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.009 0.451 -4.274 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -9.705 -1.265 -4.463 1.00 0.98 H new ATOM 2231 N CYS B 3 -9.084 1.984 -2.439 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.576 3.347 -2.396 1.00 0.57 C ATOM 2233 C CYS B 3 -7.571 3.503 -1.247 1.00 0.57 C ATOM 2234 O CYS B 3 -6.592 4.241 -1.345 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.740 4.339 -2.260 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.946 4.263 -3.625 1.00 0.42 S ATOM 0 H CYS B 3 -10.095 1.906 -2.324 1.00 0.64 H new ATOM 0 HA CYS B 3 -8.054 3.565 -3.328 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.258 4.148 -1.320 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.337 5.350 -2.202 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.314 4.232 -4.761 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.787 2.738 -0.190 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.935 2.763 0.988 1.00 0.61 C ATOM 2244 C LEU B 4 -5.544 2.215 0.684 1.00 0.57 C ATOM 2245 O LEU B 4 -4.548 2.884 0.959 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.604 1.956 2.103 1.00 0.67 C ATOM 2247 CG LEU B 4 -8.434 2.764 3.101 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -7.535 3.575 4.015 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -9.429 3.653 2.377 1.00 1.25 C ATOM 0 H LEU B 4 -8.562 2.079 -0.124 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.808 3.797 1.309 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.249 1.205 1.646 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -6.830 1.420 2.652 1.00 0.67 H new ATOM 0 HG LEU B 4 -8.999 2.068 3.721 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -8.146 4.142 4.717 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -6.877 2.904 4.567 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -6.935 4.262 3.419 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -10.009 4.219 3.106 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.893 4.343 1.725 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -10.100 3.036 1.779 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.475 1.011 0.105 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.188 0.406 -0.225 1.00 0.57 C ATOM 2263 C CYS B 5 -3.448 1.285 -1.217 1.00 0.59 C ATOM 2264 O CYS B 5 -2.234 1.190 -1.339 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.341 -1.023 -0.767 1.00 0.61 C ATOM 2266 SG CYS B 5 -4.976 -1.156 -2.462 1.00 0.60 S ATOM 0 H CYS B 5 -6.287 0.445 -0.141 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.607 0.332 0.694 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.369 -1.515 -0.723 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.008 -1.574 -0.104 1.00 0.61 H new ATOM 0 HG CYS B 5 -5.762 -0.151 -2.711 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.184 2.132 -1.932 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.562 3.065 -2.847 1.00 0.61 C ATOM 2274 C ILE B 6 -2.721 4.037 -2.016 1.00 0.58 C ATOM 2275 O ILE B 6 -1.547 4.278 -2.320 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.607 3.818 -3.714 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.850 3.056 -5.031 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -4.165 5.250 -3.995 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -5.135 3.954 -6.214 1.00 0.53 C ATOM 0 H ILE B 6 -5.202 2.186 -1.892 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.931 2.523 -3.551 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.542 3.865 -3.156 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.975 2.446 -5.253 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.689 2.373 -4.895 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.918 5.750 -4.604 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -4.046 5.785 -3.053 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -3.215 5.239 -4.529 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -5.295 3.344 -7.103 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -6.028 4.546 -6.014 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.288 4.620 -6.378 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.319 4.557 -0.933 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.604 5.470 -0.040 1.00 0.51 C ATOM 2293 C VAL B 7 -1.417 4.746 0.589 1.00 0.52 C ATOM 2294 O VAL B 7 -0.323 5.304 0.695 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.499 6.058 1.091 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -2.870 7.329 1.649 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.904 6.343 0.585 1.00 0.56 C ATOM 0 H VAL B 7 -4.282 4.362 -0.660 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.272 6.308 -0.654 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.572 5.318 1.888 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.504 7.732 2.439 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -1.885 7.099 2.055 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.771 8.066 0.852 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.507 6.753 1.396 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.857 7.063 -0.232 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.357 5.418 0.228 1.00 0.56 H new ATOM 2307 N THR B 8 -1.641 3.502 1.003 1.00 0.51 N ATOM 2308 CA THR B 8 -0.591 2.689 1.607 1.00 0.52 C ATOM 2309 C THR B 8 0.517 2.400 0.595 1.00 0.58 C ATOM 2310 O THR B 8 1.698 2.456 0.923 1.00 0.62 O ATOM 2311 CB THR B 8 -1.176 1.379 2.154 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.568 1.580 2.421 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.463 0.950 3.432 1.00 0.63 C ATOM 0 H THR B 8 -2.544 3.034 0.931 1.00 0.51 H new ATOM 0 HA THR B 8 -0.158 3.248 2.437 1.00 0.52 H new ATOM 0 HB THR B 8 -1.039 0.590 1.414 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.882 0.899 3.053 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.898 0.020 3.797 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.596 0.798 3.224 1.00 0.63 H new ATOM 0 HG23 THR B 8 -0.577 1.725 4.190 1.00 0.63 H new ATOM 2321 N THR B 9 0.129 2.093 -0.636 1.00 0.63 N ATOM 2322 CA THR B 9 1.084 1.845 -1.704 1.00 0.70 C ATOM 2323 C THR B 9 1.923 3.089 -1.948 1.00 0.73 C ATOM 2324 O THR B 9 3.146 3.016 -2.067 1.00 0.78 O ATOM 2325 CB THR B 9 0.363 1.463 -3.017 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.328 0.222 -2.848 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.348 1.354 -4.172 1.00 0.71 C ATOM 0 H THR B 9 -0.847 2.010 -0.919 1.00 0.63 H new ATOM 0 HA THR B 9 1.722 1.017 -1.396 1.00 0.70 H new ATOM 0 HB THR B 9 -0.354 2.249 -3.254 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.159 0.375 -2.351 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.813 1.084 -5.082 1.00 0.71 H new ATOM 0 HG22 THR B 9 1.848 2.312 -4.315 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.090 0.588 -3.947 1.00 0.71 H new ATOM 2335 N LYS B 10 1.263 4.238 -2.007 1.00 0.74 N ATOM 2336 CA LYS B 10 1.961 5.493 -2.232 1.00 0.80 C ATOM 2337 C LYS B 10 2.874 5.797 -1.066 1.00 0.81 C ATOM 2338 O LYS B 10 3.961 6.329 -1.252 1.00 0.87 O ATOM 2339 CB LYS B 10 0.988 6.647 -2.432 1.00 0.82 C ATOM 2340 CG LYS B 10 0.872 7.088 -3.879 1.00 1.07 C ATOM 2341 CD LYS B 10 2.192 7.619 -4.420 1.00 1.51 C ATOM 2342 CE LYS B 10 2.010 8.202 -5.809 1.00 1.88 C ATOM 2343 NZ LYS B 10 3.303 8.387 -6.518 1.00 2.03 N ATOM 0 H LYS B 10 0.252 4.325 -1.903 1.00 0.74 H new ATOM 0 HA LYS B 10 2.551 5.384 -3.142 1.00 0.80 H new ATOM 0 HB2 LYS B 10 0.004 6.351 -2.069 1.00 0.82 H new ATOM 0 HB3 LYS B 10 1.309 7.494 -1.826 1.00 0.82 H new ATOM 0 HG2 LYS B 10 0.542 6.247 -4.489 1.00 1.07 H new ATOM 0 HG3 LYS B 10 0.108 7.861 -3.962 1.00 1.07 H new ATOM 0 HD2 LYS B 10 2.584 8.383 -3.749 1.00 1.51 H new ATOM 0 HD3 LYS B 10 2.927 6.815 -4.452 1.00 1.51 H new ATOM 0 HE2 LYS B 10 1.368 7.545 -6.395 1.00 1.88 H new ATOM 0 HE3 LYS B 10 1.499 9.162 -5.733 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 3.384 9.372 -6.841 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 4.088 8.170 -5.871 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 3.344 7.749 -7.338 1.00 2.03 H new ATOM 2357 N LYS B 11 2.422 5.465 0.134 1.00 0.77 N ATOM 2358 CA LYS B 11 3.216 5.680 1.324 1.00 0.79 C ATOM 2359 C LYS B 11 4.446 4.767 1.301 1.00 0.82 C ATOM 2360 O LYS B 11 5.561 5.211 1.567 1.00 0.89 O ATOM 2361 CB LYS B 11 2.379 5.412 2.575 1.00 0.74 C ATOM 2362 CG LYS B 11 2.998 5.953 3.852 1.00 0.73 C ATOM 2363 CD LYS B 11 2.779 4.999 5.011 1.00 0.86 C ATOM 2364 CE LYS B 11 3.284 5.582 6.313 1.00 1.02 C ATOM 2365 NZ LYS B 11 3.518 4.515 7.314 1.00 1.32 N ATOM 0 H LYS B 11 1.508 5.046 0.305 1.00 0.77 H new ATOM 0 HA LYS B 11 3.547 6.718 1.346 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.393 5.857 2.443 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.233 4.337 2.680 1.00 0.74 H new ATOM 0 HG2 LYS B 11 4.066 6.111 3.704 1.00 0.73 H new ATOM 0 HG3 LYS B 11 2.562 6.924 4.088 1.00 0.73 H new ATOM 0 HD2 LYS B 11 1.717 4.772 5.101 1.00 0.86 H new ATOM 0 HD3 LYS B 11 3.290 4.058 4.810 1.00 0.86 H new ATOM 0 HE2 LYS B 11 4.210 6.130 6.136 1.00 1.02 H new ATOM 0 HE3 LYS B 11 2.559 6.298 6.701 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 3.396 4.904 8.271 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 2.837 3.743 7.165 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 4.485 4.148 7.210 1.00 1.32 H new ATOM 2379 N TYR B 12 4.236 3.492 0.960 1.00 0.78 N ATOM 2380 CA TYR B 12 5.331 2.521 0.889 1.00 0.81 C ATOM 2381 C TYR B 12 6.328 2.932 -0.197 1.00 0.95 C ATOM 2382 O TYR B 12 7.535 2.823 -0.015 1.00 1.01 O ATOM 2383 CB TYR B 12 4.785 1.102 0.634 1.00 0.78 C ATOM 2384 CG TYR B 12 5.848 0.011 0.534 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.465 -0.503 1.672 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.219 -0.518 -0.697 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.421 -1.502 1.584 1.00 0.78 C ATOM 2388 CE2 TYR B 12 7.173 -1.521 -0.791 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.771 -2.009 0.351 1.00 1.01 C ATOM 2390 OH TYR B 12 8.713 -3.016 0.265 1.00 1.17 O ATOM 0 H TYR B 12 3.319 3.109 0.729 1.00 0.78 H new ATOM 0 HA TYR B 12 5.852 2.508 1.846 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.096 0.844 1.438 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.207 1.112 -0.290 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.193 -0.115 2.642 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.756 -0.141 -1.597 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.891 -1.882 2.479 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.447 -1.919 -1.757 1.00 1.21 H new ATOM 0 HH TYR B 12 9.091 -3.034 -0.639 1.00 1.17 H new ATOM 2400 N ARG B 13 5.810 3.404 -1.322 1.00 1.05 N ATOM 2401 CA ARG B 13 6.649 3.870 -2.418 1.00 1.20 C ATOM 2402 C ARG B 13 7.386 5.147 -2.017 1.00 1.27 C ATOM 2403 O ARG B 13 8.549 5.339 -2.369 1.00 1.46 O ATOM 2404 CB ARG B 13 5.803 4.125 -3.664 1.00 1.27 C ATOM 2405 CG ARG B 13 6.110 3.175 -4.809 1.00 1.21 C ATOM 2406 CD ARG B 13 6.766 3.908 -5.965 1.00 1.62 C ATOM 2407 NE ARG B 13 8.111 4.365 -5.616 1.00 2.12 N ATOM 2408 CZ ARG B 13 8.754 5.369 -6.214 1.00 2.44 C ATOM 2409 NH1 ARG B 13 8.196 6.034 -7.219 1.00 2.69 N ATOM 2410 NH2 ARG B 13 9.967 5.703 -5.809 1.00 3.10 N ATOM 0 H ARG B 13 4.808 3.475 -1.500 1.00 1.05 H new ATOM 0 HA ARG B 13 7.383 3.096 -2.644 1.00 1.20 H new ATOM 0 HB2 ARG B 13 4.749 4.037 -3.402 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.964 5.150 -3.999 1.00 1.27 H new ATOM 0 HG2 ARG B 13 6.767 2.379 -4.459 1.00 1.21 H new ATOM 0 HG3 ARG B 13 5.189 2.702 -5.150 1.00 1.21 H new ATOM 0 HD2 ARG B 13 6.818 3.250 -6.832 1.00 1.62 H new ATOM 0 HD3 ARG B 13 6.153 4.763 -6.250 1.00 1.62 H new ATOM 0 HE ARG B 13 8.593 3.880 -4.859 1.00 2.12 H new ATOM 0 HH11 ARG B 13 7.263 5.779 -7.544 1.00 2.69 H new ATOM 0 HH12 ARG B 13 8.700 6.800 -7.666 1.00 2.69 H new ATOM 0 HH21 ARG B 13 10.407 5.194 -5.043 1.00 3.10 H new ATOM 0 HH22 ARG B 13 10.463 6.470 -6.263 1.00 3.10 H new ATOM 2424 N TYR B 14 6.694 6.029 -1.300 1.00 1.21 N ATOM 2425 CA TYR B 14 7.291 7.279 -0.830 1.00 1.29 C ATOM 2426 C TYR B 14 8.409 6.982 0.162 1.00 1.32 C ATOM 2427 O TYR B 14 9.429 7.674 0.198 1.00 1.47 O ATOM 2428 CB TYR B 14 6.231 8.173 -0.166 1.00 1.24 C ATOM 2429 CG TYR B 14 6.749 9.540 0.225 1.00 1.21 C ATOM 2430 CD1 TYR B 14 6.880 10.542 -0.724 1.00 1.23 C ATOM 2431 CD2 TYR B 14 7.108 9.830 1.541 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.350 11.791 -0.382 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.580 11.083 1.889 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.698 12.056 0.921 1.00 1.28 C ATOM 2435 OH TYR B 14 8.159 13.305 1.253 1.00 1.38 O ATOM 0 H TYR B 14 5.718 5.902 -1.031 1.00 1.21 H new ATOM 0 HA TYR B 14 7.702 7.808 -1.690 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.390 8.294 -0.849 1.00 1.24 H new ATOM 0 HB3 TYR B 14 5.849 7.671 0.723 1.00 1.24 H new ATOM 0 HD1 TYR B 14 6.609 10.340 -1.750 1.00 1.23 H new ATOM 0 HD2 TYR B 14 7.016 9.066 2.299 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.445 12.559 -1.135 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.854 11.297 2.912 1.00 1.30 H new ATOM 0 HH TYR B 14 8.362 13.335 2.211 1.00 1.38 H new ATOM 2445 N GLN B 15 8.208 5.933 0.952 1.00 1.21 N ATOM 2446 CA GLN B 15 9.171 5.525 1.961 1.00 1.23 C ATOM 2447 C GLN B 15 10.434 4.934 1.333 1.00 1.37 C ATOM 2448 O GLN B 15 11.494 4.940 1.956 1.00 1.37 O ATOM 2449 CB GLN B 15 8.531 4.511 2.907 1.00 1.12 C ATOM 2450 CG GLN B 15 8.609 4.906 4.374 1.00 1.04 C ATOM 2451 CD GLN B 15 7.796 6.148 4.709 1.00 1.16 C ATOM 2452 OE1 GLN B 15 6.590 6.069 4.937 1.00 1.25 O ATOM 2453 NE2 GLN B 15 8.452 7.301 4.765 1.00 1.41 N ATOM 0 H GLN B 15 7.375 5.345 0.909 1.00 1.21 H new ATOM 0 HA GLN B 15 9.466 6.412 2.521 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.485 4.380 2.631 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.019 3.545 2.774 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.258 4.075 4.986 1.00 1.04 H new ATOM 0 HG3 GLN B 15 9.651 5.080 4.641 1.00 1.04 H new ATOM 0 HE21 GLN B 15 9.453 7.328 4.570 1.00 1.41 H new ATOM 0 HE22 GLN B 15 7.955 8.159 5.003 1.00 1.41 H new ATOM 2462 N ASP B 16 10.321 4.420 0.104 1.00 1.59 N ATOM 2463 CA ASP B 16 11.481 3.837 -0.589 1.00 1.76 C ATOM 2464 C ASP B 16 12.532 4.905 -0.878 1.00 1.96 C ATOM 2465 O ASP B 16 13.733 4.665 -0.728 1.00 2.05 O ATOM 2466 CB ASP B 16 11.065 3.106 -1.886 1.00 2.09 C ATOM 2467 CG ASP B 16 11.703 3.665 -3.150 1.00 2.24 C ATOM 2468 OD1 ASP B 16 12.901 3.399 -3.402 1.00 2.65 O ATOM 2469 OD2 ASP B 16 11.002 4.365 -3.904 1.00 2.32 O ATOM 0 H ASP B 16 9.451 4.394 -0.428 1.00 1.59 H new ATOM 0 HA ASP B 16 11.921 3.094 0.076 1.00 1.76 H new ATOM 0 HB2 ASP B 16 11.327 2.052 -1.796 1.00 2.09 H new ATOM 0 HB3 ASP B 16 9.981 3.157 -1.987 1.00 2.09 H new ATOM 2474 N GLU B 17 12.077 6.085 -1.275 1.00 2.16 N ATOM 2475 CA GLU B 17 12.974 7.192 -1.561 1.00 2.48 C ATOM 2476 C GLU B 17 13.449 7.788 -0.236 1.00 2.44 C ATOM 2477 O GLU B 17 12.857 8.740 0.280 1.00 2.36 O ATOM 2478 CB GLU B 17 12.237 8.233 -2.413 1.00 2.75 C ATOM 2479 CG GLU B 17 13.125 9.305 -3.031 1.00 3.19 C ATOM 2480 CD GLU B 17 12.324 10.372 -3.754 1.00 3.49 C ATOM 2481 OE1 GLU B 17 11.562 10.021 -4.675 1.00 3.62 O ATOM 2482 OE2 GLU B 17 12.450 11.565 -3.411 1.00 4.01 O ATOM 0 H GLU B 17 11.088 6.299 -1.406 1.00 2.16 H new ATOM 0 HA GLU B 17 13.844 6.853 -2.123 1.00 2.48 H new ATOM 0 HB2 GLU B 17 11.707 7.716 -3.213 1.00 2.75 H new ATOM 0 HB3 GLU B 17 11.483 8.719 -1.794 1.00 2.75 H new ATOM 0 HG2 GLU B 17 13.725 9.772 -2.249 1.00 3.19 H new ATOM 0 HG3 GLU B 17 13.819 8.839 -3.730 1.00 3.19 H new ATOM 2489 N ASP B 18 14.490 7.185 0.338 1.00 2.66 N ATOM 2490 CA ASP B 18 15.028 7.636 1.615 1.00 2.76 C ATOM 2491 C ASP B 18 16.539 7.440 1.700 1.00 3.15 C ATOM 2492 O ASP B 18 17.295 8.408 1.751 1.00 3.44 O ATOM 2493 CB ASP B 18 14.344 6.871 2.748 1.00 2.70 C ATOM 2494 CG ASP B 18 14.885 7.221 4.123 1.00 2.54 C ATOM 2495 OD1 ASP B 18 15.935 6.671 4.516 1.00 2.45 O ATOM 2496 OD2 ASP B 18 14.252 8.034 4.827 1.00 2.74 O ATOM 0 H ASP B 18 14.976 6.383 -0.064 1.00 2.66 H new ATOM 0 HA ASP B 18 14.830 8.704 1.705 1.00 2.76 H new ATOM 0 HB2 ASP B 18 13.274 7.078 2.723 1.00 2.70 H new ATOM 0 HB3 ASP B 18 14.465 5.801 2.579 1.00 2.70 H new ATOM 2501 N THR B 19 16.981 6.188 1.719 1.00 3.25 N ATOM 2502 CA THR B 19 18.401 5.888 1.816 1.00 3.64 C ATOM 2503 C THR B 19 19.042 5.856 0.431 1.00 4.26 C ATOM 2504 O THR B 19 18.733 4.938 -0.353 1.00 4.48 O ATOM 2505 CB THR B 19 18.644 4.547 2.544 1.00 3.58 C ATOM 2506 OG1 THR B 19 17.814 4.485 3.714 1.00 3.24 O ATOM 2507 CG2 THR B 19 20.107 4.400 2.951 1.00 3.63 C ATOM 0 H THR B 19 16.377 5.368 1.669 1.00 3.25 H new ATOM 0 HA THR B 19 18.865 6.682 2.401 1.00 3.64 H new ATOM 0 HB THR B 19 18.394 3.734 1.862 1.00 3.58 H new ATOM 0 HG1 THR B 19 17.392 5.357 3.863 1.00 3.24 H new ATOM 0 HG21 THR B 19 20.249 3.447 3.461 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.737 4.433 2.062 1.00 3.63 H new ATOM 0 HG23 THR B 19 20.382 5.215 3.621 1.00 3.63 H new TER 2515 THR B 19 HETATM 2516 CA CA A 201 -17.443 8.410 -9.815 1.00 0.41 CA HETATM 2517 CA CA A 202 -19.438 7.199 3.533 1.00 0.48 CA HETATM 2518 CA CA A 203 3.708 -13.335 -3.625 1.00 0.50 CA HETATM 2519 CA CA A 204 13.685 -10.335 1.632 1.00 0.73 CA