USER MOD reduce.3.24.130724 H: found=0, std=0, add=1220, rem=0, adj=42 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: B 11 LYS NZ :NH3+ -119:sc= 2.4 (180deg=-0.904) USER MOD Set 1.2: B 15 GLN : amide:sc= -1.42 K(o=0.99,f=1.9) USER MOD Set 2.1: A 81 SER OG : rot -24:sc= 1.84 USER MOD Set 2.2: A 146 THR OG1 : rot -93:sc= 0.753 USER MOD Set 3.1: A 75 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.12) USER MOD Set 3.2: B 8 THR OG1 : rot -169:sc= 0.768 USER MOD Set 4.1: A 72 MET CE :methyl -168:sc= -1.05 (180deg=-1.66) USER MOD Set 4.2: A 76 MET CE :methyl -142:sc= -0.0999 (180deg=-1.87!) USER MOD Set 5.1: A 29 THR OG1 : rot -149:sc= 0.632 USER MOD Set 5.2: A 49 GLN : amide:sc= 0.91 K(o=1.5,f=-3.5!) USER MOD Set 6.1: A 5 THR OG1 : rot 142:sc= 1.37 USER MOD Set 6.2: A 8 GLN : amide:sc= 2.09 K(o=3.5,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.23) USER MOD Single : A 17 SER OG : rot 72:sc= 0.965 USER MOD Single : A 21 LYS NZ :NH3+ -123:sc= 2.27 (180deg=-1.24) USER MOD Single : A 26 THR OG1 : rot 88:sc= 1.15 USER MOD Single : A 28 THR OG1 : rot -69:sc= 0.585 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0781 USER MOD Single : A 36 MET CE :methyl -133:sc= -0.44 (180deg=-1.32) USER MOD Single : A 38 SER OG : rot -162:sc= 1.03 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc=-0.00228 X(o=-0.0023,f=0) USER MOD Single : A 62 THR OG1 : rot -170:sc= 0.0732 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 71 MET CE :methyl -109:sc= -0.924 (180deg=-2.83!) 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+ -163:sc= -0.14 (180deg=-0.478) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -162:sc= -0.0233 (180deg=-0.63) USER MOD Single : A 110 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 111 ASN : amide:sc= 0.622 K(o=0.62,f=-0.018) USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 2.38 (180deg=2.37) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0612 USER MOD Single : A 124 MET CE :methyl 164:sc= -0.911 (180deg=-1.54) USER MOD Single : A 135 GLN : amide:sc= 1.07 K(o=1.1,f=-0.27) USER MOD Single : A 137 ASN : amide:sc= -0.146 K(o=-0.15,f=-12!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0.498 USER MOD Single : A 143 GLN : amide:sc= -0.905 K(o=-0.91,f=-0.032) USER MOD Single : A 144 MET CE :methyl -160:sc= -3.53 (180deg=-5.53!) USER MOD Single : A 145 MET CE :methyl 146:sc= -0.64 (180deg=-4.2!) USER MOD Single : B 1 MET CE :methyl -141:sc= 0 (180deg=-0.648) USER MOD Single : B 1 MET N :NH3+ 169:sc= 1.07 (180deg=0.831) USER MOD Single : B 3 CYS SG : rot -42:sc= -3.9! USER MOD Single : B 5 CYS SG : rot -30:sc= -5.01! USER MOD Single : B 9 THR OG1 : rot 85:sc= 1.33 USER MOD Single : B 10 LYS NZ :NH3+ 147:sc= -0.0435 (180deg=-1.83!) USER MOD Single : B 12 TYR OH : rot -162:sc= -0.254 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.033 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 4 -2.059 19.029 4.557 1.00 1.45 N ATOM 2 CA LEU A 4 -1.145 18.018 3.988 1.00 1.33 C ATOM 3 C LEU A 4 -0.329 18.605 2.845 1.00 1.19 C ATOM 4 O LEU A 4 -0.698 19.627 2.264 1.00 1.15 O ATOM 5 CB LEU A 4 -1.939 16.808 3.490 1.00 1.31 C ATOM 6 CG LEU A 4 -1.097 15.667 2.916 1.00 1.33 C ATOM 7 CD1 LEU A 4 -0.200 15.069 3.982 1.00 1.71 C ATOM 8 CD2 LEU A 4 -1.986 14.599 2.309 1.00 1.33 C ATOM 0 HA LEU A 4 -0.461 17.700 4.774 1.00 1.33 H new ATOM 0 HB2 LEU A 4 -2.534 16.419 4.316 1.00 1.31 H new ATOM 0 HB3 LEU A 4 -2.638 17.143 2.724 1.00 1.31 H new ATOM 0 HG LEU A 4 -0.464 16.077 2.129 1.00 1.33 H new ATOM 0 HD11 LEU A 4 0.389 14.260 3.550 1.00 1.71 H new ATOM 0 HD12 LEU A 4 0.469 15.838 4.368 1.00 1.71 H new ATOM 0 HD13 LEU A 4 -0.812 14.678 4.795 1.00 1.71 H new ATOM 0 HD21 LEU A 4 -1.368 13.797 1.906 1.00 1.33 H new ATOM 0 HD22 LEU A 4 -2.648 14.197 3.076 1.00 1.33 H new ATOM 0 HD23 LEU A 4 -2.582 15.035 1.507 1.00 1.33 H new ATOM 20 N THR A 5 0.779 17.944 2.541 1.00 1.17 N ATOM 21 CA THR A 5 1.667 18.349 1.479 1.00 1.07 C ATOM 22 C THR A 5 0.932 18.422 0.148 1.00 0.97 C ATOM 23 O THR A 5 0.252 17.473 -0.247 1.00 0.96 O ATOM 24 CB THR A 5 2.835 17.354 1.391 1.00 1.11 C ATOM 25 OG1 THR A 5 2.472 16.130 2.048 1.00 1.25 O ATOM 26 CG2 THR A 5 4.078 17.928 2.047 1.00 1.21 C ATOM 0 H THR A 5 1.083 17.104 3.034 1.00 1.17 H new ATOM 0 HA THR A 5 2.050 19.345 1.700 1.00 1.07 H new ATOM 0 HB THR A 5 3.050 17.162 0.340 1.00 1.11 H new ATOM 0 HG1 THR A 5 2.832 15.370 1.545 1.00 1.25 H new ATOM 0 HG21 THR A 5 4.893 17.208 1.974 1.00 1.21 H new ATOM 0 HG22 THR A 5 4.363 18.851 1.542 1.00 1.21 H new ATOM 0 HG23 THR A 5 3.872 18.137 3.097 1.00 1.21 H new ATOM 34 N GLU A 6 1.063 19.559 -0.528 1.00 0.93 N ATOM 35 CA GLU A 6 0.409 19.774 -1.815 1.00 0.88 C ATOM 36 C GLU A 6 0.807 18.687 -2.811 1.00 0.84 C ATOM 37 O GLU A 6 -0.026 18.200 -3.576 1.00 0.82 O ATOM 38 CB GLU A 6 0.772 21.147 -2.377 1.00 0.92 C ATOM 39 CG GLU A 6 0.510 22.304 -1.428 1.00 1.07 C ATOM 40 CD GLU A 6 1.036 23.613 -1.967 1.00 1.44 C ATOM 41 OE1 GLU A 6 2.166 23.624 -2.495 1.00 1.91 O ATOM 42 OE2 GLU A 6 0.327 24.638 -1.868 1.00 1.97 O ATOM 0 H GLU A 6 1.619 20.350 -0.204 1.00 0.93 H new ATOM 0 HA GLU A 6 -0.669 19.729 -1.657 1.00 0.88 H new ATOM 0 HB2 GLU A 6 1.828 21.147 -2.648 1.00 0.92 H new ATOM 0 HB3 GLU A 6 0.207 21.311 -3.295 1.00 0.92 H new ATOM 0 HG2 GLU A 6 -0.562 22.391 -1.250 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.977 22.095 -0.465 1.00 1.07 H new ATOM 49 N GLU A 7 2.082 18.310 -2.778 1.00 0.86 N ATOM 50 CA GLU A 7 2.616 17.279 -3.663 1.00 0.85 C ATOM 51 C GLU A 7 1.863 15.963 -3.503 1.00 0.84 C ATOM 52 O GLU A 7 1.543 15.300 -4.489 1.00 0.82 O ATOM 53 CB GLU A 7 4.107 17.066 -3.390 1.00 0.90 C ATOM 54 CG GLU A 7 4.970 18.268 -3.749 1.00 1.18 C ATOM 55 CD GLU A 7 5.211 19.206 -2.578 1.00 1.58 C ATOM 56 OE1 GLU A 7 4.228 19.637 -1.931 1.00 1.76 O ATOM 57 OE2 GLU A 7 6.383 19.539 -2.314 1.00 1.98 O ATOM 0 H GLU A 7 2.771 18.708 -2.140 1.00 0.86 H new ATOM 0 HA GLU A 7 2.484 17.621 -4.690 1.00 0.85 H new ATOM 0 HB2 GLU A 7 4.245 16.833 -2.334 1.00 0.90 H new ATOM 0 HB3 GLU A 7 4.451 16.200 -3.955 1.00 0.90 H new ATOM 0 HG2 GLU A 7 5.930 17.917 -4.128 1.00 1.18 H new ATOM 0 HG3 GLU A 7 4.492 18.822 -4.557 1.00 1.18 H new ATOM 64 N GLN A 8 1.593 15.583 -2.261 1.00 0.87 N ATOM 65 CA GLN A 8 0.857 14.354 -1.991 1.00 0.89 C ATOM 66 C GLN A 8 -0.554 14.469 -2.553 1.00 0.83 C ATOM 67 O GLN A 8 -1.064 13.532 -3.162 1.00 0.81 O ATOM 68 CB GLN A 8 0.826 14.035 -0.493 1.00 0.99 C ATOM 69 CG GLN A 8 1.984 13.157 -0.029 1.00 1.24 C ATOM 70 CD GLN A 8 3.349 13.744 -0.351 1.00 1.43 C ATOM 71 OE1 GLN A 8 3.919 14.479 0.451 1.00 1.54 O ATOM 72 NE2 GLN A 8 3.876 13.423 -1.521 1.00 1.62 N ATOM 0 H GLN A 8 1.870 16.104 -1.429 1.00 0.87 H new ATOM 0 HA GLN A 8 1.370 13.528 -2.484 1.00 0.89 H new ATOM 0 HB2 GLN A 8 0.842 14.969 0.069 1.00 0.99 H new ATOM 0 HB3 GLN A 8 -0.114 13.537 -0.256 1.00 0.99 H new ATOM 0 HG2 GLN A 8 1.907 13.004 1.047 1.00 1.24 H new ATOM 0 HG3 GLN A 8 1.898 12.176 -0.497 1.00 1.24 H new ATOM 0 HE21 GLN A 8 3.368 12.809 -2.158 1.00 1.62 H new ATOM 0 HE22 GLN A 8 4.790 13.790 -1.786 1.00 1.62 H new ATOM 81 N ILE A 9 -1.187 15.618 -2.326 1.00 0.84 N ATOM 82 CA ILE A 9 -2.524 15.866 -2.851 1.00 0.83 C ATOM 83 C ILE A 9 -2.557 15.652 -4.367 1.00 0.77 C ATOM 84 O ILE A 9 -3.493 15.052 -4.903 1.00 0.78 O ATOM 85 CB ILE A 9 -3.018 17.293 -2.520 1.00 0.87 C ATOM 86 CG1 ILE A 9 -3.071 17.504 -1.005 1.00 0.92 C ATOM 87 CG2 ILE A 9 -4.388 17.535 -3.137 1.00 0.92 C ATOM 88 CD1 ILE A 9 -3.949 16.506 -0.278 1.00 1.13 C ATOM 0 H ILE A 9 -0.796 16.388 -1.784 1.00 0.84 H new ATOM 0 HA ILE A 9 -3.193 15.154 -2.368 1.00 0.83 H new ATOM 0 HB ILE A 9 -2.314 18.009 -2.944 1.00 0.87 H new ATOM 0 HG12 ILE A 9 -2.059 17.443 -0.604 1.00 0.92 H new ATOM 0 HG13 ILE A 9 -3.435 18.511 -0.800 1.00 0.92 H new ATOM 0 HG21 ILE A 9 -4.723 18.544 -2.895 1.00 0.92 H new ATOM 0 HG22 ILE A 9 -4.324 17.423 -4.219 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -5.099 16.812 -2.739 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -3.936 16.720 0.791 1.00 1.13 H new ATOM 0 HD12 ILE A 9 -4.971 16.581 -0.650 1.00 1.13 H new ATOM 0 HD13 ILE A 9 -3.573 15.497 -0.451 1.00 1.13 H new ATOM 100 N ALA A 10 -1.521 16.132 -5.052 1.00 0.74 N ATOM 101 CA ALA A 10 -1.427 15.976 -6.498 1.00 0.71 C ATOM 102 C ALA A 10 -1.324 14.503 -6.861 1.00 0.68 C ATOM 103 O ALA A 10 -1.889 14.057 -7.862 1.00 0.70 O ATOM 104 CB ALA A 10 -0.222 16.724 -7.043 1.00 0.74 C ATOM 0 H ALA A 10 -0.738 16.630 -4.629 1.00 0.74 H new ATOM 0 HA ALA A 10 -2.329 16.394 -6.945 1.00 0.71 H new ATOM 0 HB1 ALA A 10 -0.171 16.594 -8.124 1.00 0.74 H new ATOM 0 HB2 ALA A 10 -0.316 17.784 -6.809 1.00 0.74 H new ATOM 0 HB3 ALA A 10 0.687 16.331 -6.587 1.00 0.74 H new ATOM 110 N GLU A 11 -0.589 13.756 -6.051 1.00 0.68 N ATOM 111 CA GLU A 11 -0.429 12.330 -6.271 1.00 0.69 C ATOM 112 C GLU A 11 -1.769 11.630 -6.117 1.00 0.65 C ATOM 113 O GLU A 11 -2.146 10.797 -6.938 1.00 0.62 O ATOM 114 CB GLU A 11 0.592 11.746 -5.293 1.00 0.75 C ATOM 115 CG GLU A 11 1.988 12.312 -5.475 1.00 0.96 C ATOM 116 CD GLU A 11 2.985 11.755 -4.484 1.00 1.07 C ATOM 117 OE1 GLU A 11 2.731 11.830 -3.265 1.00 1.21 O ATOM 118 OE2 GLU A 11 4.031 11.228 -4.919 1.00 1.57 O ATOM 0 H GLU A 11 -0.094 14.116 -5.235 1.00 0.68 H new ATOM 0 HA GLU A 11 -0.060 12.171 -7.284 1.00 0.69 H new ATOM 0 HB2 GLU A 11 0.259 11.939 -4.273 1.00 0.75 H new ATOM 0 HB3 GLU A 11 0.627 10.664 -5.418 1.00 0.75 H new ATOM 0 HG2 GLU A 11 2.332 12.098 -6.487 1.00 0.96 H new ATOM 0 HG3 GLU A 11 1.950 13.397 -5.374 1.00 0.96 H new ATOM 125 N PHE A 12 -2.493 11.974 -5.058 1.00 0.67 N ATOM 126 CA PHE A 12 -3.802 11.387 -4.812 1.00 0.67 C ATOM 127 C PHE A 12 -4.771 11.743 -5.937 1.00 0.66 C ATOM 128 O PHE A 12 -5.730 11.012 -6.194 1.00 0.64 O ATOM 129 CB PHE A 12 -4.346 11.821 -3.451 1.00 0.73 C ATOM 130 CG PHE A 12 -3.434 11.467 -2.307 1.00 1.01 C ATOM 131 CD1 PHE A 12 -2.760 10.252 -2.284 1.00 1.39 C ATOM 132 CD2 PHE A 12 -3.246 12.350 -1.260 1.00 1.29 C ATOM 133 CE1 PHE A 12 -1.919 9.930 -1.236 1.00 1.80 C ATOM 134 CE2 PHE A 12 -2.408 12.035 -0.211 1.00 1.66 C ATOM 135 CZ PHE A 12 -1.740 10.826 -0.197 1.00 1.85 C ATOM 0 H PHE A 12 -2.196 12.654 -4.359 1.00 0.67 H new ATOM 0 HA PHE A 12 -3.695 10.302 -4.794 1.00 0.67 H new ATOM 0 HB2 PHE A 12 -4.507 12.899 -3.458 1.00 0.73 H new ATOM 0 HB3 PHE A 12 -5.318 11.355 -3.290 1.00 0.73 H new ATOM 0 HD1 PHE A 12 -2.895 9.551 -3.095 1.00 1.39 H new ATOM 0 HD2 PHE A 12 -3.762 13.299 -1.264 1.00 1.29 H new ATOM 0 HE1 PHE A 12 -1.403 8.981 -1.228 1.00 1.80 H new ATOM 0 HE2 PHE A 12 -2.274 12.735 0.601 1.00 1.66 H new ATOM 0 HZ PHE A 12 -1.080 10.581 0.622 1.00 1.85 H new ATOM 145 N LYS A 13 -4.521 12.873 -6.598 1.00 0.67 N ATOM 146 CA LYS A 13 -5.325 13.274 -7.737 1.00 0.69 C ATOM 147 C LYS A 13 -5.238 12.199 -8.820 1.00 0.64 C ATOM 148 O LYS A 13 -6.244 11.856 -9.444 1.00 0.64 O ATOM 149 CB LYS A 13 -4.862 14.635 -8.279 1.00 0.75 C ATOM 150 CG LYS A 13 -5.584 15.085 -9.543 1.00 0.91 C ATOM 151 CD LYS A 13 -4.609 15.660 -10.563 1.00 1.14 C ATOM 152 CE LYS A 13 -3.816 14.553 -11.238 1.00 1.25 C ATOM 153 NZ LYS A 13 -2.568 15.039 -11.886 1.00 1.50 N ATOM 0 H LYS A 13 -3.769 13.520 -6.360 1.00 0.67 H new ATOM 0 HA LYS A 13 -6.363 13.381 -7.423 1.00 0.69 H new ATOM 0 HB2 LYS A 13 -5.005 15.389 -7.505 1.00 0.75 H new ATOM 0 HB3 LYS A 13 -3.792 14.587 -8.483 1.00 0.75 H new ATOM 0 HG2 LYS A 13 -6.115 14.240 -9.981 1.00 0.91 H new ATOM 0 HG3 LYS A 13 -6.333 15.836 -9.289 1.00 0.91 H new ATOM 0 HD2 LYS A 13 -5.156 16.231 -11.313 1.00 1.14 H new ATOM 0 HD3 LYS A 13 -3.927 16.353 -10.070 1.00 1.14 H new ATOM 0 HE2 LYS A 13 -3.562 13.794 -10.498 1.00 1.25 H new ATOM 0 HE3 LYS A 13 -4.443 14.071 -11.988 1.00 1.25 H new ATOM 0 HZ1 LYS A 13 -2.055 14.234 -12.299 1.00 1.50 H new ATOM 0 HZ2 LYS A 13 -2.808 15.718 -12.636 1.00 1.50 H new ATOM 0 HZ3 LYS A 13 -1.967 15.505 -11.176 1.00 1.50 H new ATOM 167 N GLU A 14 -4.029 11.666 -9.038 1.00 0.61 N ATOM 168 CA GLU A 14 -3.821 10.605 -10.030 1.00 0.59 C ATOM 169 C GLU A 14 -4.658 9.385 -9.640 1.00 0.53 C ATOM 170 O GLU A 14 -5.294 8.751 -10.489 1.00 0.53 O ATOM 171 CB GLU A 14 -2.338 10.212 -10.132 1.00 0.63 C ATOM 172 CG GLU A 14 -1.379 11.393 -10.236 1.00 0.98 C ATOM 173 CD GLU A 14 -0.934 11.679 -11.661 1.00 1.04 C ATOM 174 OE1 GLU A 14 0.005 11.009 -12.147 1.00 1.45 O ATOM 175 OE2 GLU A 14 -1.514 12.588 -12.291 1.00 1.64 O ATOM 0 H GLU A 14 -3.184 11.951 -8.543 1.00 0.61 H new ATOM 0 HA GLU A 14 -4.132 10.977 -11.006 1.00 0.59 H new ATOM 0 HB2 GLU A 14 -2.071 9.619 -9.257 1.00 0.63 H new ATOM 0 HB3 GLU A 14 -2.203 9.572 -11.004 1.00 0.63 H new ATOM 0 HG2 GLU A 14 -1.861 12.281 -9.828 1.00 0.98 H new ATOM 0 HG3 GLU A 14 -0.501 11.195 -9.621 1.00 0.98 H new ATOM 182 N ALA A 15 -4.677 9.089 -8.336 1.00 0.51 N ATOM 183 CA ALA A 15 -5.450 7.969 -7.811 1.00 0.47 C ATOM 184 C ALA A 15 -6.938 8.180 -8.070 1.00 0.45 C ATOM 185 O ALA A 15 -7.623 7.278 -8.544 1.00 0.44 O ATOM 186 CB ALA A 15 -5.185 7.773 -6.329 1.00 0.48 C ATOM 0 H ALA A 15 -4.164 9.613 -7.627 1.00 0.51 H new ATOM 0 HA ALA A 15 -5.134 7.064 -8.331 1.00 0.47 H new ATOM 0 HB1 ALA A 15 -5.773 6.932 -5.962 1.00 0.48 H new ATOM 0 HB2 ALA A 15 -4.126 7.570 -6.173 1.00 0.48 H new ATOM 0 HB3 ALA A 15 -5.466 8.676 -5.787 1.00 0.48 H new ATOM 192 N PHE A 16 -7.444 9.372 -7.738 1.00 0.46 N ATOM 193 CA PHE A 16 -8.838 9.714 -7.986 1.00 0.47 C ATOM 194 C PHE A 16 -9.169 9.491 -9.450 1.00 0.48 C ATOM 195 O PHE A 16 -10.205 8.933 -9.788 1.00 0.49 O ATOM 196 CB PHE A 16 -9.111 11.184 -7.643 1.00 0.54 C ATOM 197 CG PHE A 16 -9.563 11.431 -6.233 1.00 0.49 C ATOM 198 CD1 PHE A 16 -10.675 10.785 -5.720 1.00 0.78 C ATOM 199 CD2 PHE A 16 -8.873 12.318 -5.422 1.00 0.91 C ATOM 200 CE1 PHE A 16 -11.092 11.026 -4.423 1.00 1.11 C ATOM 201 CE2 PHE A 16 -9.284 12.561 -4.126 1.00 1.22 C ATOM 202 CZ PHE A 16 -10.394 11.913 -3.625 1.00 1.23 C ATOM 0 H PHE A 16 -6.903 10.115 -7.296 1.00 0.46 H new ATOM 0 HA PHE A 16 -9.458 9.077 -7.355 1.00 0.47 H new ATOM 0 HB2 PHE A 16 -8.203 11.759 -7.824 1.00 0.54 H new ATOM 0 HB3 PHE A 16 -9.871 11.566 -8.325 1.00 0.54 H new ATOM 0 HD1 PHE A 16 -11.221 10.087 -6.337 1.00 0.78 H new ATOM 0 HD2 PHE A 16 -8.002 12.826 -5.809 1.00 0.91 H new ATOM 0 HE1 PHE A 16 -11.964 10.521 -4.034 1.00 1.11 H new ATOM 0 HE2 PHE A 16 -8.738 13.257 -3.506 1.00 1.22 H new ATOM 0 HZ PHE A 16 -10.717 12.098 -2.611 1.00 1.23 H new ATOM 212 N SER A 17 -8.248 9.905 -10.312 1.00 0.52 N ATOM 213 CA SER A 17 -8.420 9.780 -11.751 1.00 0.56 C ATOM 214 C SER A 17 -8.451 8.315 -12.196 1.00 0.49 C ATOM 215 O SER A 17 -9.075 7.984 -13.205 1.00 0.55 O ATOM 216 CB SER A 17 -7.304 10.543 -12.476 1.00 0.64 C ATOM 217 OG SER A 17 -7.276 11.905 -12.079 1.00 0.77 O ATOM 0 H SER A 17 -7.366 10.334 -10.033 1.00 0.52 H new ATOM 0 HA SER A 17 -9.384 10.216 -12.015 1.00 0.56 H new ATOM 0 HB2 SER A 17 -6.342 10.078 -12.260 1.00 0.64 H new ATOM 0 HB3 SER A 17 -7.455 10.478 -13.554 1.00 0.64 H new ATOM 0 HG SER A 17 -6.928 11.972 -11.165 1.00 0.77 H new ATOM 223 N LEU A 18 -7.790 7.429 -11.456 1.00 0.42 N ATOM 224 CA LEU A 18 -7.787 6.021 -11.824 1.00 0.38 C ATOM 225 C LEU A 18 -8.977 5.281 -11.214 1.00 0.36 C ATOM 226 O LEU A 18 -9.563 4.430 -11.881 1.00 0.38 O ATOM 227 CB LEU A 18 -6.446 5.347 -11.484 1.00 0.42 C ATOM 228 CG LEU A 18 -6.219 4.947 -10.025 1.00 0.87 C ATOM 229 CD1 LEU A 18 -6.694 3.515 -9.778 1.00 1.43 C ATOM 230 CD2 LEU A 18 -4.748 5.094 -9.669 1.00 1.02 C ATOM 0 H LEU A 18 -7.260 7.657 -10.615 1.00 0.42 H new ATOM 0 HA LEU A 18 -7.900 5.965 -12.907 1.00 0.38 H new ATOM 0 HB2 LEU A 18 -6.351 4.452 -12.099 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -5.643 6.023 -11.779 1.00 0.42 H new ATOM 0 HG LEU A 18 -6.802 5.610 -9.385 1.00 0.87 H new ATOM 0 HD11 LEU A 18 -6.524 3.250 -8.735 1.00 1.43 H new ATOM 0 HD12 LEU A 18 -7.758 3.441 -10.002 1.00 1.43 H new ATOM 0 HD13 LEU A 18 -6.139 2.832 -10.421 1.00 1.43 H new ATOM 0 HD21 LEU A 18 -4.595 4.807 -8.629 1.00 1.02 H new ATOM 0 HD22 LEU A 18 -4.151 4.450 -10.315 1.00 1.02 H new ATOM 0 HD23 LEU A 18 -4.442 6.131 -9.808 1.00 1.02 H new ATOM 242 N PHE A 19 -9.351 5.590 -9.968 1.00 0.35 N ATOM 243 CA PHE A 19 -10.495 4.927 -9.339 1.00 0.35 C ATOM 244 C PHE A 19 -11.797 5.369 -10.002 1.00 0.35 C ATOM 245 O PHE A 19 -12.701 4.563 -10.232 1.00 0.37 O ATOM 246 CB PHE A 19 -10.555 5.248 -7.835 1.00 0.35 C ATOM 247 CG PHE A 19 -9.564 4.485 -6.997 1.00 0.36 C ATOM 248 CD1 PHE A 19 -9.514 3.104 -7.039 1.00 0.41 C ATOM 249 CD2 PHE A 19 -8.688 5.155 -6.165 1.00 0.41 C ATOM 250 CE1 PHE A 19 -8.607 2.405 -6.263 1.00 0.50 C ATOM 251 CE2 PHE A 19 -7.785 4.467 -5.385 1.00 0.51 C ATOM 252 CZ PHE A 19 -7.737 3.086 -5.435 1.00 0.56 C ATOM 0 H PHE A 19 -8.886 6.284 -9.384 1.00 0.35 H new ATOM 0 HA PHE A 19 -10.370 3.852 -9.467 1.00 0.35 H new ATOM 0 HB2 PHE A 19 -10.384 6.316 -7.696 1.00 0.35 H new ATOM 0 HB3 PHE A 19 -11.560 5.036 -7.470 1.00 0.35 H new ATOM 0 HD1 PHE A 19 -10.191 2.565 -7.685 1.00 0.41 H new ATOM 0 HD2 PHE A 19 -8.712 6.234 -6.126 1.00 0.41 H new ATOM 0 HE1 PHE A 19 -8.579 1.326 -6.305 1.00 0.50 H new ATOM 0 HE2 PHE A 19 -7.114 5.007 -4.734 1.00 0.51 H new ATOM 0 HZ PHE A 19 -7.024 2.544 -4.831 1.00 0.56 H new ATOM 262 N ASP A 20 -11.877 6.656 -10.303 1.00 0.36 N ATOM 263 CA ASP A 20 -13.061 7.230 -10.933 1.00 0.38 C ATOM 264 C ASP A 20 -13.070 6.942 -12.427 1.00 0.44 C ATOM 265 O ASP A 20 -12.031 7.000 -13.093 1.00 0.50 O ATOM 266 CB ASP A 20 -13.104 8.740 -10.693 1.00 0.40 C ATOM 267 CG ASP A 20 -14.381 9.386 -11.180 1.00 0.43 C ATOM 268 OD1 ASP A 20 -14.483 9.682 -12.388 1.00 0.54 O ATOM 269 OD2 ASP A 20 -15.286 9.610 -10.349 1.00 0.42 O ATOM 0 H ASP A 20 -11.132 7.328 -10.121 1.00 0.36 H new ATOM 0 HA ASP A 20 -13.943 6.771 -10.487 1.00 0.38 H new ATOM 0 HB2 ASP A 20 -12.990 8.935 -9.627 1.00 0.40 H new ATOM 0 HB3 ASP A 20 -12.255 9.205 -11.195 1.00 0.40 H new ATOM 274 N LYS A 21 -14.243 6.614 -12.950 1.00 0.45 N ATOM 275 CA LYS A 21 -14.394 6.313 -14.362 1.00 0.52 C ATOM 276 C LYS A 21 -15.671 6.943 -14.921 1.00 0.55 C ATOM 277 O LYS A 21 -16.241 6.458 -15.905 1.00 0.72 O ATOM 278 CB LYS A 21 -14.400 4.798 -14.579 1.00 0.53 C ATOM 279 CG LYS A 21 -13.039 4.159 -14.387 1.00 0.58 C ATOM 280 CD LYS A 21 -12.131 4.418 -15.576 1.00 0.71 C ATOM 281 CE LYS A 21 -10.666 4.273 -15.201 1.00 0.73 C ATOM 282 NZ LYS A 21 -10.204 5.382 -14.326 1.00 0.62 N ATOM 0 H LYS A 21 -15.107 6.550 -12.412 1.00 0.45 H new ATOM 0 HA LYS A 21 -13.547 6.740 -14.899 1.00 0.52 H new ATOM 0 HB2 LYS A 21 -15.109 4.342 -13.888 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -14.755 4.584 -15.587 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -12.576 4.551 -13.482 1.00 0.58 H new ATOM 0 HG3 LYS A 21 -13.157 3.085 -14.245 1.00 0.58 H new ATOM 0 HD2 LYS A 21 -12.373 3.721 -16.378 1.00 0.71 H new ATOM 0 HD3 LYS A 21 -12.311 5.422 -15.961 1.00 0.71 H new ATOM 0 HE2 LYS A 21 -10.515 3.322 -14.691 1.00 0.73 H new ATOM 0 HE3 LYS A 21 -10.060 4.249 -16.107 1.00 0.73 H new ATOM 0 HZ1 LYS A 21 -9.395 5.861 -14.770 1.00 0.62 H new ATOM 0 HZ2 LYS A 21 -10.978 6.063 -14.191 1.00 0.62 H new ATOM 0 HZ3 LYS A 21 -9.915 4.999 -13.403 1.00 0.62 H new ATOM 296 N ASP A 22 -16.117 8.028 -14.303 1.00 0.49 N ATOM 297 CA ASP A 22 -17.326 8.707 -14.761 1.00 0.52 C ATOM 298 C ASP A 22 -17.100 10.208 -14.921 1.00 0.53 C ATOM 299 O ASP A 22 -17.762 10.850 -15.738 1.00 0.57 O ATOM 300 CB ASP A 22 -18.530 8.434 -13.830 1.00 0.51 C ATOM 301 CG ASP A 22 -18.233 8.627 -12.349 1.00 0.47 C ATOM 302 OD1 ASP A 22 -17.418 9.496 -12.002 1.00 0.47 O ATOM 303 OD2 ASP A 22 -18.814 7.911 -11.503 1.00 0.47 O ATOM 0 H ASP A 22 -15.668 8.455 -13.493 1.00 0.49 H new ATOM 0 HA ASP A 22 -17.564 8.294 -15.741 1.00 0.52 H new ATOM 0 HB2 ASP A 22 -19.350 9.094 -14.113 1.00 0.51 H new ATOM 0 HB3 ASP A 22 -18.873 7.412 -13.990 1.00 0.51 H new ATOM 308 N GLY A 23 -16.163 10.764 -14.165 1.00 0.52 N ATOM 309 CA GLY A 23 -15.895 12.183 -14.261 1.00 0.55 C ATOM 310 C GLY A 23 -16.609 12.964 -13.179 1.00 0.54 C ATOM 311 O GLY A 23 -16.594 14.195 -13.172 1.00 0.59 O ATOM 0 H GLY A 23 -15.587 10.260 -13.491 1.00 0.52 H new ATOM 0 HA2 GLY A 23 -14.821 12.356 -14.186 1.00 0.55 H new ATOM 0 HA3 GLY A 23 -16.209 12.547 -15.239 1.00 0.55 H new ATOM 315 N ASP A 24 -17.211 12.250 -12.240 1.00 0.50 N ATOM 316 CA ASP A 24 -17.937 12.895 -11.155 1.00 0.51 C ATOM 317 C ASP A 24 -16.989 13.230 -10.002 1.00 0.51 C ATOM 318 O ASP A 24 -17.170 14.234 -9.310 1.00 0.58 O ATOM 319 CB ASP A 24 -19.112 12.010 -10.700 1.00 0.50 C ATOM 320 CG ASP A 24 -18.918 11.383 -9.335 1.00 0.47 C ATOM 321 OD1 ASP A 24 -18.304 10.292 -9.251 1.00 0.44 O ATOM 322 OD2 ASP A 24 -19.392 11.969 -8.339 1.00 0.57 O ATOM 0 H ASP A 24 -17.212 11.231 -12.206 1.00 0.50 H new ATOM 0 HA ASP A 24 -18.355 13.836 -11.513 1.00 0.51 H new ATOM 0 HB2 ASP A 24 -20.022 12.610 -10.687 1.00 0.50 H new ATOM 0 HB3 ASP A 24 -19.263 11.218 -11.434 1.00 0.50 H new ATOM 327 N GLY A 25 -15.970 12.401 -9.803 1.00 0.47 N ATOM 328 CA GLY A 25 -14.999 12.658 -8.755 1.00 0.50 C ATOM 329 C GLY A 25 -15.147 11.744 -7.550 1.00 0.50 C ATOM 330 O GLY A 25 -14.162 11.421 -6.892 1.00 0.74 O ATOM 0 H GLY A 25 -15.799 11.556 -10.348 1.00 0.47 H new ATOM 0 HA2 GLY A 25 -13.996 12.544 -9.165 1.00 0.50 H new ATOM 0 HA3 GLY A 25 -15.095 13.694 -8.429 1.00 0.50 H new ATOM 334 N THR A 26 -16.368 11.333 -7.254 1.00 0.41 N ATOM 335 CA THR A 26 -16.624 10.466 -6.109 1.00 0.39 C ATOM 336 C THR A 26 -16.388 9.003 -6.455 1.00 0.34 C ATOM 337 O THR A 26 -16.532 8.592 -7.615 1.00 0.37 O ATOM 338 CB THR A 26 -18.061 10.630 -5.597 1.00 0.42 C ATOM 339 OG1 THR A 26 -18.543 11.938 -5.927 1.00 0.47 O ATOM 340 CG2 THR A 26 -18.130 10.427 -4.090 1.00 0.46 C ATOM 0 H THR A 26 -17.200 11.584 -7.788 1.00 0.41 H new ATOM 0 HA THR A 26 -15.926 10.766 -5.327 1.00 0.39 H new ATOM 0 HB THR A 26 -18.684 9.874 -6.075 1.00 0.42 H new ATOM 0 HG1 THR A 26 -18.952 11.921 -6.817 1.00 0.47 H new ATOM 0 HG21 THR A 26 -19.159 10.549 -3.753 1.00 0.46 H new ATOM 0 HG22 THR A 26 -17.783 9.424 -3.842 1.00 0.46 H new ATOM 0 HG23 THR A 26 -17.497 11.163 -3.594 1.00 0.46 H new ATOM 348 N ILE A 27 -16.038 8.219 -5.448 1.00 0.33 N ATOM 349 CA ILE A 27 -15.779 6.803 -5.635 1.00 0.31 C ATOM 350 C ILE A 27 -17.045 5.986 -5.418 1.00 0.32 C ATOM 351 O ILE A 27 -17.675 6.068 -4.359 1.00 0.41 O ATOM 352 CB ILE A 27 -14.699 6.283 -4.660 1.00 0.33 C ATOM 353 CG1 ILE A 27 -13.294 6.658 -5.126 1.00 0.34 C ATOM 354 CG2 ILE A 27 -14.799 4.776 -4.504 1.00 0.37 C ATOM 355 CD1 ILE A 27 -12.574 7.575 -4.171 1.00 0.37 C ATOM 0 H ILE A 27 -15.927 8.543 -4.487 1.00 0.33 H new ATOM 0 HA ILE A 27 -15.426 6.687 -6.660 1.00 0.31 H new ATOM 0 HB ILE A 27 -14.879 6.758 -3.696 1.00 0.33 H new ATOM 0 HG12 ILE A 27 -12.708 5.749 -5.257 1.00 0.34 H new ATOM 0 HG13 ILE A 27 -13.359 7.139 -6.102 1.00 0.34 H new ATOM 0 HG21 ILE A 27 -14.030 4.430 -3.814 1.00 0.37 H new ATOM 0 HG22 ILE A 27 -15.782 4.515 -4.112 1.00 0.37 H new ATOM 0 HG23 ILE A 27 -14.657 4.300 -5.474 1.00 0.37 H new ATOM 0 HD11 ILE A 27 -11.582 7.802 -4.562 1.00 0.37 H new ATOM 0 HD12 ILE A 27 -13.140 8.500 -4.058 1.00 0.37 H new ATOM 0 HD13 ILE A 27 -12.478 7.088 -3.201 1.00 0.37 H new ATOM 367 N THR A 28 -17.429 5.231 -6.426 1.00 0.31 N ATOM 368 CA THR A 28 -18.580 4.362 -6.315 1.00 0.33 C ATOM 369 C THR A 28 -18.079 2.934 -6.126 1.00 0.32 C ATOM 370 O THR A 28 -16.873 2.692 -6.206 1.00 0.33 O ATOM 371 CB THR A 28 -19.476 4.438 -7.565 1.00 0.37 C ATOM 372 OG1 THR A 28 -18.726 4.076 -8.727 1.00 0.39 O ATOM 373 CG2 THR A 28 -20.044 5.839 -7.742 1.00 0.41 C ATOM 0 H THR A 28 -16.960 5.202 -7.331 1.00 0.31 H new ATOM 0 HA THR A 28 -19.183 4.680 -5.465 1.00 0.33 H new ATOM 0 HB THR A 28 -20.303 3.741 -7.433 1.00 0.37 H new ATOM 0 HG1 THR A 28 -18.065 4.773 -8.920 1.00 0.39 H new ATOM 0 HG21 THR A 28 -20.673 5.867 -8.632 1.00 0.41 H new ATOM 0 HG22 THR A 28 -20.639 6.103 -6.868 1.00 0.41 H new ATOM 0 HG23 THR A 28 -19.227 6.552 -7.853 1.00 0.41 H new ATOM 381 N THR A 29 -18.972 1.989 -5.913 1.00 0.32 N ATOM 382 CA THR A 29 -18.555 0.616 -5.714 1.00 0.34 C ATOM 383 C THR A 29 -18.314 -0.048 -7.067 1.00 0.34 C ATOM 384 O THR A 29 -17.463 -0.922 -7.207 1.00 0.38 O ATOM 385 CB THR A 29 -19.608 -0.200 -4.937 1.00 0.38 C ATOM 386 OG1 THR A 29 -20.320 0.649 -4.029 1.00 0.57 O ATOM 387 CG2 THR A 29 -18.949 -1.337 -4.169 1.00 0.60 C ATOM 0 H THR A 29 -19.980 2.143 -5.873 1.00 0.32 H new ATOM 0 HA THR A 29 -17.637 0.635 -5.127 1.00 0.34 H new ATOM 0 HB THR A 29 -20.309 -0.625 -5.656 1.00 0.38 H new ATOM 0 HG1 THR A 29 -20.593 0.131 -3.243 1.00 0.57 H new ATOM 0 HG21 THR A 29 -19.710 -1.900 -3.628 1.00 0.60 H new ATOM 0 HG22 THR A 29 -18.436 -1.999 -4.867 1.00 0.60 H new ATOM 0 HG23 THR A 29 -18.228 -0.928 -3.461 1.00 0.60 H new ATOM 395 N LYS A 30 -19.051 0.419 -8.071 1.00 0.35 N ATOM 396 CA LYS A 30 -18.956 -0.132 -9.419 1.00 0.39 C ATOM 397 C LYS A 30 -17.659 0.296 -10.124 1.00 0.36 C ATOM 398 O LYS A 30 -17.138 -0.448 -10.953 1.00 0.37 O ATOM 399 CB LYS A 30 -20.178 0.291 -10.239 1.00 0.46 C ATOM 400 CG LYS A 30 -20.544 -0.677 -11.366 1.00 0.74 C ATOM 401 CD LYS A 30 -19.915 -0.273 -12.692 1.00 1.11 C ATOM 402 CE LYS A 30 -20.310 -1.225 -13.813 1.00 1.68 C ATOM 403 NZ LYS A 30 -19.904 -0.725 -15.157 1.00 2.22 N ATOM 0 H LYS A 30 -19.723 1.181 -7.976 1.00 0.35 H new ATOM 0 HA LYS A 30 -18.933 -1.219 -9.337 1.00 0.39 H new ATOM 0 HB2 LYS A 30 -21.033 0.392 -9.570 1.00 0.46 H new ATOM 0 HB3 LYS A 30 -19.991 1.276 -10.668 1.00 0.46 H new ATOM 0 HG2 LYS A 30 -20.217 -1.682 -11.101 1.00 0.74 H new ATOM 0 HG3 LYS A 30 -21.628 -0.713 -11.475 1.00 0.74 H new ATOM 0 HD2 LYS A 30 -20.224 0.740 -12.948 1.00 1.11 H new ATOM 0 HD3 LYS A 30 -18.830 -0.259 -12.591 1.00 1.11 H new ATOM 0 HE2 LYS A 30 -19.851 -2.198 -13.637 1.00 1.68 H new ATOM 0 HE3 LYS A 30 -21.390 -1.374 -13.795 1.00 1.68 H new ATOM 0 HZ1 LYS A 30 -20.196 -1.409 -15.884 1.00 2.22 H new ATOM 0 HZ2 LYS A 30 -20.362 0.191 -15.339 1.00 2.22 H new ATOM 0 HZ3 LYS A 30 -18.871 -0.608 -15.186 1.00 2.22 H new ATOM 417 N GLU A 31 -17.129 1.464 -9.766 1.00 0.37 N ATOM 418 CA GLU A 31 -15.907 1.963 -10.399 1.00 0.37 C ATOM 419 C GLU A 31 -14.697 1.156 -9.943 1.00 0.36 C ATOM 420 O GLU A 31 -13.928 0.643 -10.760 1.00 0.38 O ATOM 421 CB GLU A 31 -15.704 3.443 -10.079 1.00 0.37 C ATOM 422 CG GLU A 31 -16.557 4.386 -10.915 1.00 0.42 C ATOM 423 CD GLU A 31 -16.560 5.806 -10.387 1.00 0.40 C ATOM 424 OE1 GLU A 31 -17.096 6.052 -9.287 1.00 0.39 O ATOM 425 OE2 GLU A 31 -16.059 6.706 -11.076 1.00 0.42 O ATOM 0 H GLU A 31 -17.520 2.077 -9.050 1.00 0.37 H new ATOM 0 HA GLU A 31 -16.012 1.850 -11.478 1.00 0.37 H new ATOM 0 HB2 GLU A 31 -15.926 3.609 -9.025 1.00 0.37 H new ATOM 0 HB3 GLU A 31 -14.654 3.694 -10.227 1.00 0.37 H new ATOM 0 HG2 GLU A 31 -16.189 4.386 -11.941 1.00 0.42 H new ATOM 0 HG3 GLU A 31 -17.581 4.013 -10.943 1.00 0.42 H new ATOM 432 N LEU A 32 -14.551 1.032 -8.631 1.00 0.35 N ATOM 433 CA LEU A 32 -13.436 0.297 -8.037 1.00 0.35 C ATOM 434 C LEU A 32 -13.557 -1.203 -8.303 1.00 0.36 C ATOM 435 O LEU A 32 -12.550 -1.914 -8.354 1.00 0.38 O ATOM 436 CB LEU A 32 -13.370 0.579 -6.531 1.00 0.35 C ATOM 437 CG LEU A 32 -12.657 1.877 -6.129 1.00 0.41 C ATOM 438 CD1 LEU A 32 -13.214 3.074 -6.885 1.00 0.50 C ATOM 439 CD2 LEU A 32 -12.774 2.103 -4.636 1.00 0.44 C ATOM 0 H LEU A 32 -15.196 1.434 -7.950 1.00 0.35 H new ATOM 0 HA LEU A 32 -12.511 0.638 -8.502 1.00 0.35 H new ATOM 0 HB2 LEU A 32 -14.387 0.609 -6.140 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -12.866 -0.256 -6.045 1.00 0.35 H new ATOM 0 HG LEU A 32 -11.604 1.772 -6.392 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -12.687 3.977 -6.576 1.00 0.50 H new ATOM 0 HD12 LEU A 32 -13.079 2.923 -7.956 1.00 0.50 H new ATOM 0 HD13 LEU A 32 -14.276 3.181 -6.665 1.00 0.50 H new ATOM 0 HD21 LEU A 32 -12.263 3.028 -4.367 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -13.826 2.176 -4.360 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -12.317 1.268 -4.105 1.00 0.44 H new ATOM 451 N GLY A 33 -14.789 -1.675 -8.490 1.00 0.39 N ATOM 452 CA GLY A 33 -15.017 -3.082 -8.767 1.00 0.42 C ATOM 453 C GLY A 33 -14.329 -3.521 -10.038 1.00 0.46 C ATOM 454 O GLY A 33 -13.754 -4.607 -10.105 1.00 0.50 O ATOM 0 H GLY A 33 -15.634 -1.105 -8.454 1.00 0.39 H new ATOM 0 HA2 GLY A 33 -14.654 -3.681 -7.932 1.00 0.42 H new ATOM 0 HA3 GLY A 33 -16.088 -3.267 -8.850 1.00 0.42 H new ATOM 458 N THR A 34 -14.374 -2.655 -11.043 1.00 0.46 N ATOM 459 CA THR A 34 -13.747 -2.927 -12.324 1.00 0.52 C ATOM 460 C THR A 34 -12.242 -3.146 -12.159 1.00 0.53 C ATOM 461 O THR A 34 -11.681 -4.068 -12.751 1.00 0.56 O ATOM 462 CB THR A 34 -14.012 -1.774 -13.311 1.00 0.54 C ATOM 463 OG1 THR A 34 -15.283 -1.177 -13.018 1.00 0.58 O ATOM 464 CG2 THR A 34 -14.009 -2.276 -14.747 1.00 0.60 C ATOM 0 H THR A 34 -14.844 -1.751 -10.991 1.00 0.46 H new ATOM 0 HA THR A 34 -14.185 -3.840 -12.727 1.00 0.52 H new ATOM 0 HB THR A 34 -13.218 -1.036 -13.200 1.00 0.54 H new ATOM 0 HG1 THR A 34 -15.452 -0.442 -13.644 1.00 0.58 H new ATOM 0 HG21 THR A 34 -14.198 -1.443 -15.424 1.00 0.60 H new ATOM 0 HG22 THR A 34 -13.039 -2.717 -14.976 1.00 0.60 H new ATOM 0 HG23 THR A 34 -14.788 -3.028 -14.871 1.00 0.60 H new ATOM 472 N VAL A 35 -11.607 -2.316 -11.335 1.00 0.53 N ATOM 473 CA VAL A 35 -10.170 -2.441 -11.091 1.00 0.55 C ATOM 474 C VAL A 35 -9.881 -3.707 -10.276 1.00 0.57 C ATOM 475 O VAL A 35 -8.892 -4.403 -10.515 1.00 0.58 O ATOM 476 CB VAL A 35 -9.601 -1.209 -10.361 1.00 0.58 C ATOM 477 CG1 VAL A 35 -8.086 -1.267 -10.307 1.00 0.63 C ATOM 478 CG2 VAL A 35 -10.070 0.073 -11.031 1.00 0.60 C ATOM 0 H VAL A 35 -12.059 -1.555 -10.828 1.00 0.53 H new ATOM 0 HA VAL A 35 -9.679 -2.510 -12.062 1.00 0.55 H new ATOM 0 HB VAL A 35 -9.975 -1.215 -9.337 1.00 0.58 H new ATOM 0 HG11 VAL A 35 -7.707 -0.387 -9.787 1.00 0.63 H new ATOM 0 HG12 VAL A 35 -7.775 -2.166 -9.774 1.00 0.63 H new ATOM 0 HG13 VAL A 35 -7.686 -1.290 -11.321 1.00 0.63 H new ATOM 0 HG21 VAL A 35 -9.658 0.932 -10.501 1.00 0.60 H new ATOM 0 HG22 VAL A 35 -9.730 0.088 -12.066 1.00 0.60 H new ATOM 0 HG23 VAL A 35 -11.159 0.119 -11.006 1.00 0.60 H new ATOM 488 N MET A 36 -10.775 -4.017 -9.338 1.00 0.58 N ATOM 489 CA MET A 36 -10.627 -5.201 -8.490 1.00 0.62 C ATOM 490 C MET A 36 -10.772 -6.473 -9.327 1.00 0.62 C ATOM 491 O MET A 36 -10.365 -7.557 -8.920 1.00 0.67 O ATOM 492 CB MET A 36 -11.663 -5.181 -7.355 1.00 0.65 C ATOM 493 CG MET A 36 -11.247 -5.990 -6.133 1.00 0.82 C ATOM 494 SD MET A 36 -12.323 -5.716 -4.709 1.00 0.92 S ATOM 495 CE MET A 36 -12.062 -3.966 -4.429 1.00 1.07 C ATOM 0 H MET A 36 -11.611 -3.465 -9.145 1.00 0.58 H new ATOM 0 HA MET A 36 -9.632 -5.190 -8.046 1.00 0.62 H new ATOM 0 HB2 MET A 36 -11.839 -4.148 -7.054 1.00 0.65 H new ATOM 0 HB3 MET A 36 -12.609 -5.569 -7.732 1.00 0.65 H new ATOM 0 HG2 MET A 36 -11.251 -7.050 -6.387 1.00 0.82 H new ATOM 0 HG3 MET A 36 -10.223 -5.731 -5.863 1.00 0.82 H new ATOM 0 HE1 MET A 36 -11.882 -3.790 -3.368 1.00 1.07 H new ATOM 0 HE2 MET A 36 -11.199 -3.630 -5.004 1.00 1.07 H new ATOM 0 HE3 MET A 36 -12.946 -3.411 -4.744 1.00 1.07 H new ATOM 505 N ARG A 37 -11.305 -6.296 -10.529 1.00 0.60 N ATOM 506 CA ARG A 37 -11.517 -7.393 -11.469 1.00 0.63 C ATOM 507 C ARG A 37 -10.232 -7.635 -12.264 1.00 0.65 C ATOM 508 O ARG A 37 -9.880 -8.778 -12.565 1.00 0.68 O ATOM 509 CB ARG A 37 -12.675 -7.054 -12.416 1.00 0.64 C ATOM 510 CG ARG A 37 -12.726 -7.895 -13.682 1.00 0.72 C ATOM 511 CD ARG A 37 -12.868 -7.016 -14.916 1.00 0.83 C ATOM 512 NE ARG A 37 -11.804 -6.011 -14.992 1.00 0.86 N ATOM 513 CZ ARG A 37 -11.211 -5.633 -16.121 1.00 1.25 C ATOM 514 NH1 ARG A 37 -11.578 -6.166 -17.276 1.00 1.82 N ATOM 515 NH2 ARG A 37 -10.250 -4.724 -16.089 1.00 1.32 N ATOM 0 H ARG A 37 -11.604 -5.387 -10.882 1.00 0.60 H new ATOM 0 HA ARG A 37 -11.773 -8.299 -10.920 1.00 0.63 H new ATOM 0 HB2 ARG A 37 -13.615 -7.175 -11.877 1.00 0.64 H new ATOM 0 HB3 ARG A 37 -12.602 -6.003 -12.696 1.00 0.64 H new ATOM 0 HG2 ARG A 37 -11.819 -8.495 -13.761 1.00 0.72 H new ATOM 0 HG3 ARG A 37 -13.564 -8.590 -13.628 1.00 0.72 H new ATOM 0 HD2 ARG A 37 -12.845 -7.638 -15.811 1.00 0.83 H new ATOM 0 HD3 ARG A 37 -13.838 -6.519 -14.899 1.00 0.83 H new ATOM 0 HE ARG A 37 -11.498 -5.573 -14.123 1.00 0.86 H new ATOM 0 HH11 ARG A 37 -12.317 -6.868 -17.302 1.00 1.82 H new ATOM 0 HH12 ARG A 37 -11.122 -5.874 -18.140 1.00 1.82 H new ATOM 0 HH21 ARG A 37 -9.965 -4.314 -15.199 1.00 1.32 H new ATOM 0 HH22 ARG A 37 -9.794 -4.433 -16.954 1.00 1.32 H new ATOM 529 N SER A 38 -9.529 -6.543 -12.576 1.00 0.64 N ATOM 530 CA SER A 38 -8.283 -6.611 -13.330 1.00 0.68 C ATOM 531 C SER A 38 -7.212 -7.337 -12.517 1.00 0.66 C ATOM 532 O SER A 38 -6.217 -7.818 -13.056 1.00 0.69 O ATOM 533 CB SER A 38 -7.798 -5.200 -13.668 1.00 0.70 C ATOM 534 OG SER A 38 -8.881 -4.283 -13.756 1.00 0.80 O ATOM 0 H SER A 38 -9.807 -5.597 -12.314 1.00 0.64 H new ATOM 0 HA SER A 38 -8.465 -7.161 -14.253 1.00 0.68 H new ATOM 0 HB2 SER A 38 -7.096 -4.863 -12.905 1.00 0.70 H new ATOM 0 HB3 SER A 38 -7.257 -5.217 -14.614 1.00 0.70 H new ATOM 0 HG SER A 38 -8.592 -3.481 -14.240 1.00 0.80 H new ATOM 540 N LEU A 39 -7.435 -7.416 -11.211 1.00 0.66 N ATOM 541 CA LEU A 39 -6.504 -8.069 -10.302 1.00 0.67 C ATOM 542 C LEU A 39 -6.650 -9.591 -10.356 1.00 0.73 C ATOM 543 O LEU A 39 -5.935 -10.313 -9.664 1.00 0.86 O ATOM 544 CB LEU A 39 -6.742 -7.571 -8.876 1.00 0.62 C ATOM 545 CG LEU A 39 -6.555 -6.061 -8.671 1.00 0.58 C ATOM 546 CD1 LEU A 39 -6.844 -5.677 -7.229 1.00 0.60 C ATOM 547 CD2 LEU A 39 -5.146 -5.631 -9.053 1.00 0.57 C ATOM 0 H LEU A 39 -8.262 -7.031 -10.755 1.00 0.66 H new ATOM 0 HA LEU A 39 -5.490 -7.818 -10.613 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.756 -7.839 -8.579 1.00 0.62 H new ATOM 0 HB3 LEU A 39 -6.064 -8.099 -8.206 1.00 0.62 H new ATOM 0 HG LEU A 39 -7.262 -5.545 -9.321 1.00 0.58 H new ATOM 0 HD11 LEU A 39 -6.706 -4.603 -7.104 1.00 0.60 H new ATOM 0 HD12 LEU A 39 -7.872 -5.942 -6.981 1.00 0.60 H new ATOM 0 HD13 LEU A 39 -6.162 -6.210 -6.567 1.00 0.60 H new ATOM 0 HD21 LEU A 39 -5.039 -4.557 -8.899 1.00 0.57 H new ATOM 0 HD22 LEU A 39 -4.423 -6.161 -8.432 1.00 0.57 H new ATOM 0 HD23 LEU A 39 -4.965 -5.867 -10.102 1.00 0.57 H new ATOM 559 N GLY A 40 -7.572 -10.069 -11.189 1.00 0.74 N ATOM 560 CA GLY A 40 -7.791 -11.497 -11.316 1.00 0.82 C ATOM 561 C GLY A 40 -8.699 -12.047 -10.230 1.00 0.79 C ATOM 562 O GLY A 40 -8.672 -13.240 -9.930 1.00 0.89 O ATOM 0 H GLY A 40 -8.171 -9.490 -11.778 1.00 0.74 H new ATOM 0 HA2 GLY A 40 -8.228 -11.708 -12.292 1.00 0.82 H new ATOM 0 HA3 GLY A 40 -6.832 -12.013 -11.278 1.00 0.82 H new ATOM 566 N GLN A 41 -9.516 -11.180 -9.652 1.00 0.80 N ATOM 567 CA GLN A 41 -10.438 -11.578 -8.593 1.00 0.79 C ATOM 568 C GLN A 41 -11.849 -11.080 -8.908 1.00 0.77 C ATOM 569 O GLN A 41 -12.018 -9.967 -9.396 1.00 0.92 O ATOM 570 CB GLN A 41 -9.973 -11.015 -7.244 1.00 0.82 C ATOM 571 CG GLN A 41 -8.652 -11.591 -6.747 1.00 0.93 C ATOM 572 CD GLN A 41 -8.204 -10.973 -5.435 1.00 1.02 C ATOM 573 OE1 GLN A 41 -8.618 -11.401 -4.362 1.00 1.25 O ATOM 574 NE2 GLN A 41 -7.342 -9.971 -5.515 1.00 1.23 N ATOM 0 H GLN A 41 -9.561 -10.191 -9.898 1.00 0.80 H new ATOM 0 HA GLN A 41 -10.452 -12.666 -8.534 1.00 0.79 H new ATOM 0 HB2 GLN A 41 -9.875 -9.933 -7.329 1.00 0.82 H new ATOM 0 HB3 GLN A 41 -10.744 -11.208 -6.498 1.00 0.82 H new ATOM 0 HG2 GLN A 41 -8.754 -12.669 -6.621 1.00 0.93 H new ATOM 0 HG3 GLN A 41 -7.882 -11.430 -7.502 1.00 0.93 H new ATOM 0 HE21 GLN A 41 -7.022 -9.645 -6.427 1.00 1.23 H new ATOM 0 HE22 GLN A 41 -6.998 -9.525 -4.665 1.00 1.23 H new ATOM 583 N ASN A 42 -12.859 -11.908 -8.649 1.00 0.69 N ATOM 584 CA ASN A 42 -14.245 -11.514 -8.914 1.00 0.69 C ATOM 585 C ASN A 42 -15.081 -11.520 -7.633 1.00 0.65 C ATOM 586 O ASN A 42 -15.613 -12.557 -7.233 1.00 0.74 O ATOM 587 CB ASN A 42 -14.877 -12.437 -9.958 1.00 0.76 C ATOM 588 CG ASN A 42 -16.179 -11.883 -10.509 1.00 1.02 C ATOM 589 OD1 ASN A 42 -17.246 -12.069 -9.926 1.00 1.37 O ATOM 590 ND2 ASN A 42 -16.102 -11.210 -11.646 1.00 1.33 N ATOM 0 H ASN A 42 -12.749 -12.845 -8.261 1.00 0.69 H new ATOM 0 HA ASN A 42 -14.229 -10.496 -9.304 1.00 0.69 H new ATOM 0 HB2 ASN A 42 -14.174 -12.589 -10.777 1.00 0.76 H new ATOM 0 HB3 ASN A 42 -15.061 -13.414 -9.511 1.00 0.76 H new ATOM 0 HD21 ASN A 42 -16.946 -10.825 -12.069 1.00 1.33 H new ATOM 0 HD22 ASN A 42 -15.198 -11.077 -12.100 1.00 1.33 H new ATOM 597 N PRO A 43 -15.203 -10.355 -6.981 1.00 0.60 N ATOM 598 CA PRO A 43 -15.965 -10.204 -5.750 1.00 0.61 C ATOM 599 C PRO A 43 -17.443 -9.904 -6.030 1.00 0.56 C ATOM 600 O PRO A 43 -17.779 -9.297 -7.045 1.00 0.55 O ATOM 601 CB PRO A 43 -15.284 -9.006 -5.071 1.00 0.65 C ATOM 602 CG PRO A 43 -14.584 -8.243 -6.155 1.00 0.74 C ATOM 603 CD PRO A 43 -14.620 -9.079 -7.410 1.00 0.66 C ATOM 0 HA PRO A 43 -15.968 -11.108 -5.142 1.00 0.61 H new ATOM 0 HB2 PRO A 43 -16.018 -8.378 -4.566 1.00 0.65 H new ATOM 0 HB3 PRO A 43 -14.576 -9.341 -4.313 1.00 0.65 H new ATOM 0 HG2 PRO A 43 -15.073 -7.283 -6.322 1.00 0.74 H new ATOM 0 HG3 PRO A 43 -13.554 -8.031 -5.868 1.00 0.74 H new ATOM 0 HD2 PRO A 43 -15.224 -8.607 -8.185 1.00 0.66 H new ATOM 0 HD3 PRO A 43 -13.621 -9.218 -7.824 1.00 0.66 H new ATOM 611 N THR A 44 -18.325 -10.340 -5.142 1.00 0.58 N ATOM 612 CA THR A 44 -19.754 -10.103 -5.313 1.00 0.58 C ATOM 613 C THR A 44 -20.203 -8.882 -4.519 1.00 0.52 C ATOM 614 O THR A 44 -19.387 -8.242 -3.854 1.00 0.49 O ATOM 615 CB THR A 44 -20.576 -11.324 -4.865 1.00 0.67 C ATOM 616 OG1 THR A 44 -20.466 -11.492 -3.442 1.00 0.91 O ATOM 617 CG2 THR A 44 -20.088 -12.580 -5.572 1.00 1.04 C ATOM 0 H THR A 44 -18.079 -10.858 -4.298 1.00 0.58 H new ATOM 0 HA THR A 44 -19.926 -9.926 -6.375 1.00 0.58 H new ATOM 0 HB THR A 44 -21.621 -11.157 -5.128 1.00 0.67 H new ATOM 0 HG1 THR A 44 -20.993 -12.270 -3.163 1.00 0.91 H new ATOM 0 HG21 THR A 44 -20.679 -13.435 -5.244 1.00 1.04 H new ATOM 0 HG22 THR A 44 -20.195 -12.456 -6.650 1.00 1.04 H new ATOM 0 HG23 THR A 44 -19.039 -12.750 -5.329 1.00 1.04 H new ATOM 625 N GLU A 45 -21.499 -8.569 -4.590 1.00 0.53 N ATOM 626 CA GLU A 45 -22.078 -7.427 -3.878 1.00 0.54 C ATOM 627 C GLU A 45 -21.712 -7.416 -2.389 1.00 0.50 C ATOM 628 O GLU A 45 -21.574 -6.348 -1.786 1.00 0.54 O ATOM 629 CB GLU A 45 -23.600 -7.438 -4.023 1.00 0.62 C ATOM 630 CG GLU A 45 -24.133 -6.411 -5.007 1.00 0.97 C ATOM 631 CD GLU A 45 -23.833 -4.981 -4.600 1.00 1.50 C ATOM 632 OE1 GLU A 45 -23.964 -4.650 -3.400 1.00 2.18 O ATOM 633 OE2 GLU A 45 -23.477 -4.176 -5.486 1.00 1.89 O ATOM 0 H GLU A 45 -22.175 -9.098 -5.141 1.00 0.53 H new ATOM 0 HA GLU A 45 -21.660 -6.527 -4.329 1.00 0.54 H new ATOM 0 HB2 GLU A 45 -23.917 -8.431 -4.342 1.00 0.62 H new ATOM 0 HB3 GLU A 45 -24.049 -7.258 -3.046 1.00 0.62 H new ATOM 0 HG2 GLU A 45 -23.701 -6.600 -5.990 1.00 0.97 H new ATOM 0 HG3 GLU A 45 -25.212 -6.536 -5.104 1.00 0.97 H new ATOM 640 N ALA A 46 -21.521 -8.597 -1.806 1.00 0.51 N ATOM 641 CA ALA A 46 -21.193 -8.699 -0.396 1.00 0.54 C ATOM 642 C ALA A 46 -19.765 -8.232 -0.150 1.00 0.50 C ATOM 643 O ALA A 46 -19.507 -7.374 0.693 1.00 0.51 O ATOM 644 CB ALA A 46 -21.361 -10.133 0.074 1.00 0.63 C ATOM 0 H ALA A 46 -21.589 -9.492 -2.291 1.00 0.51 H new ATOM 0 HA ALA A 46 -21.871 -8.059 0.168 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -21.113 -10.200 1.133 1.00 0.63 H new ATOM 0 HB2 ALA A 46 -22.394 -10.447 -0.077 1.00 0.63 H new ATOM 0 HB3 ALA A 46 -20.697 -10.783 -0.496 1.00 0.63 H new ATOM 650 N GLU A 47 -18.854 -8.776 -0.940 1.00 0.49 N ATOM 651 CA GLU A 47 -17.431 -8.464 -0.829 1.00 0.51 C ATOM 652 C GLU A 47 -17.144 -7.040 -1.307 1.00 0.49 C ATOM 653 O GLU A 47 -16.321 -6.334 -0.725 1.00 0.51 O ATOM 654 CB GLU A 47 -16.600 -9.460 -1.649 1.00 0.56 C ATOM 655 CG GLU A 47 -16.670 -10.901 -1.140 1.00 0.73 C ATOM 656 CD GLU A 47 -17.762 -11.710 -1.815 1.00 0.95 C ATOM 657 OE1 GLU A 47 -17.703 -11.867 -3.050 1.00 1.28 O ATOM 658 OE2 GLU A 47 -18.676 -12.188 -1.120 1.00 1.57 O ATOM 0 H GLU A 47 -19.075 -9.446 -1.677 1.00 0.49 H new ATOM 0 HA GLU A 47 -17.152 -8.542 0.222 1.00 0.51 H new ATOM 0 HB2 GLU A 47 -16.940 -9.435 -2.684 1.00 0.56 H new ATOM 0 HB3 GLU A 47 -15.559 -9.136 -1.648 1.00 0.56 H new ATOM 0 HG2 GLU A 47 -15.709 -11.387 -1.306 1.00 0.73 H new ATOM 0 HG3 GLU A 47 -16.842 -10.894 -0.064 1.00 0.73 H new ATOM 665 N LEU A 48 -17.814 -6.635 -2.379 1.00 0.47 N ATOM 666 CA LEU A 48 -17.637 -5.298 -2.946 1.00 0.50 C ATOM 667 C LEU A 48 -18.082 -4.204 -1.995 1.00 0.48 C ATOM 668 O LEU A 48 -17.492 -3.124 -1.961 1.00 0.53 O ATOM 669 CB LEU A 48 -18.414 -5.166 -4.242 1.00 0.53 C ATOM 670 CG LEU A 48 -17.781 -5.830 -5.461 1.00 0.57 C ATOM 671 CD1 LEU A 48 -18.798 -5.904 -6.586 1.00 0.64 C ATOM 672 CD2 LEU A 48 -16.540 -5.065 -5.900 1.00 0.62 C ATOM 0 H LEU A 48 -18.489 -7.215 -2.878 1.00 0.47 H new ATOM 0 HA LEU A 48 -16.570 -5.177 -3.131 1.00 0.50 H new ATOM 0 HB2 LEU A 48 -19.407 -5.590 -4.094 1.00 0.53 H new ATOM 0 HB3 LEU A 48 -18.549 -4.106 -4.457 1.00 0.53 H new ATOM 0 HG LEU A 48 -17.474 -6.842 -5.199 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -18.344 -6.379 -7.456 1.00 0.64 H new ATOM 0 HD12 LEU A 48 -19.658 -6.489 -6.261 1.00 0.64 H new ATOM 0 HD13 LEU A 48 -19.123 -4.897 -6.850 1.00 0.64 H new ATOM 0 HD21 LEU A 48 -16.101 -5.552 -6.771 1.00 0.62 H new ATOM 0 HD22 LEU A 48 -16.815 -4.042 -6.157 1.00 0.62 H new ATOM 0 HD23 LEU A 48 -15.814 -5.052 -5.087 1.00 0.62 H new ATOM 684 N GLN A 49 -19.103 -4.473 -1.202 1.00 0.48 N ATOM 685 CA GLN A 49 -19.603 -3.480 -0.277 1.00 0.50 C ATOM 686 C GLN A 49 -18.762 -3.530 0.992 1.00 0.49 C ATOM 687 O GLN A 49 -18.585 -2.528 1.682 1.00 0.49 O ATOM 688 CB GLN A 49 -21.079 -3.748 0.042 1.00 0.57 C ATOM 689 CG GLN A 49 -21.997 -2.551 -0.183 1.00 0.73 C ATOM 690 CD GLN A 49 -21.790 -1.884 -1.534 1.00 0.98 C ATOM 691 OE1 GLN A 49 -21.108 -0.863 -1.638 1.00 1.18 O ATOM 692 NE2 GLN A 49 -22.367 -2.463 -2.584 1.00 1.26 N ATOM 0 H GLN A 49 -19.597 -5.365 -1.181 1.00 0.48 H new ATOM 0 HA GLN A 49 -19.531 -2.488 -0.723 1.00 0.50 H new ATOM 0 HB2 GLN A 49 -21.427 -4.578 -0.573 1.00 0.57 H new ATOM 0 HB3 GLN A 49 -21.162 -4.065 1.082 1.00 0.57 H new ATOM 0 HG2 GLN A 49 -23.034 -2.876 -0.100 1.00 0.73 H new ATOM 0 HG3 GLN A 49 -21.829 -1.818 0.606 1.00 0.73 H new ATOM 0 HE21 GLN A 49 -22.924 -3.308 -2.458 1.00 1.26 H new ATOM 0 HE22 GLN A 49 -22.252 -2.062 -3.515 1.00 1.26 H new ATOM 701 N ASP A 50 -18.233 -4.720 1.266 1.00 0.50 N ATOM 702 CA ASP A 50 -17.389 -4.940 2.428 1.00 0.53 C ATOM 703 C ASP A 50 -16.113 -4.116 2.323 1.00 0.50 C ATOM 704 O ASP A 50 -15.670 -3.507 3.299 1.00 0.53 O ATOM 705 CB ASP A 50 -17.051 -6.418 2.576 1.00 0.58 C ATOM 706 CG ASP A 50 -16.440 -6.721 3.922 1.00 0.81 C ATOM 707 OD1 ASP A 50 -17.132 -6.530 4.942 1.00 0.90 O ATOM 708 OD2 ASP A 50 -15.272 -7.149 3.969 1.00 1.38 O ATOM 0 H ASP A 50 -18.378 -5.550 0.691 1.00 0.50 H new ATOM 0 HA ASP A 50 -17.939 -4.621 3.314 1.00 0.53 H new ATOM 0 HB2 ASP A 50 -17.955 -7.013 2.445 1.00 0.58 H new ATOM 0 HB3 ASP A 50 -16.359 -6.713 1.788 1.00 0.58 H new ATOM 713 N MET A 51 -15.531 -4.099 1.126 1.00 0.47 N ATOM 714 CA MET A 51 -14.321 -3.332 0.871 1.00 0.47 C ATOM 715 C MET A 51 -14.568 -1.855 1.170 1.00 0.44 C ATOM 716 O MET A 51 -13.731 -1.178 1.773 1.00 0.46 O ATOM 717 CB MET A 51 -13.876 -3.505 -0.582 1.00 0.49 C ATOM 718 CG MET A 51 -13.213 -4.839 -0.861 1.00 0.54 C ATOM 719 SD MET A 51 -11.598 -4.990 -0.066 1.00 0.88 S ATOM 720 CE MET A 51 -11.058 -6.576 -0.703 1.00 1.38 C ATOM 0 H MET A 51 -15.882 -4.611 0.317 1.00 0.47 H new ATOM 0 HA MET A 51 -13.529 -3.701 1.524 1.00 0.47 H new ATOM 0 HB2 MET A 51 -14.743 -3.397 -1.234 1.00 0.49 H new ATOM 0 HB3 MET A 51 -13.183 -2.704 -0.838 1.00 0.49 H new ATOM 0 HG2 MET A 51 -13.862 -5.643 -0.513 1.00 0.54 H new ATOM 0 HG3 MET A 51 -13.097 -4.965 -1.937 1.00 0.54 H new ATOM 0 HE1 MET A 51 -10.072 -6.812 -0.303 1.00 1.38 H new ATOM 0 HE2 MET A 51 -11.766 -7.349 -0.404 1.00 1.38 H new ATOM 0 HE3 MET A 51 -11.007 -6.533 -1.791 1.00 1.38 H new ATOM 730 N ILE A 52 -15.731 -1.377 0.749 1.00 0.42 N ATOM 731 CA ILE A 52 -16.128 0.008 0.977 1.00 0.43 C ATOM 732 C ILE A 52 -16.414 0.250 2.454 1.00 0.46 C ATOM 733 O ILE A 52 -16.101 1.307 2.985 1.00 0.46 O ATOM 734 CB ILE A 52 -17.383 0.386 0.161 1.00 0.43 C ATOM 735 CG1 ILE A 52 -17.246 -0.044 -1.306 1.00 0.43 C ATOM 736 CG2 ILE A 52 -17.658 1.877 0.264 1.00 0.48 C ATOM 737 CD1 ILE A 52 -16.074 0.569 -2.041 1.00 0.48 C ATOM 0 H ILE A 52 -16.422 -1.932 0.244 1.00 0.42 H new ATOM 0 HA ILE A 52 -15.295 0.632 0.652 1.00 0.43 H new ATOM 0 HB ILE A 52 -18.232 -0.151 0.584 1.00 0.43 H new ATOM 0 HG12 ILE A 52 -17.153 -1.129 -1.344 1.00 0.43 H new ATOM 0 HG13 ILE A 52 -18.164 0.216 -1.833 1.00 0.43 H new ATOM 0 HG21 ILE A 52 -18.546 2.124 -0.318 1.00 0.48 H new ATOM 0 HG22 ILE A 52 -17.821 2.146 1.308 1.00 0.48 H new ATOM 0 HG23 ILE A 52 -16.804 2.432 -0.124 1.00 0.48 H new ATOM 0 HD11 ILE A 52 -16.059 0.207 -3.069 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -16.172 1.655 -2.040 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -15.146 0.288 -1.544 1.00 0.48 H new ATOM 749 N ASN A 53 -17.012 -0.743 3.112 1.00 0.52 N ATOM 750 CA ASN A 53 -17.363 -0.645 4.533 1.00 0.59 C ATOM 751 C ASN A 53 -16.126 -0.352 5.392 1.00 0.61 C ATOM 752 O ASN A 53 -16.220 0.307 6.422 1.00 0.66 O ATOM 753 CB ASN A 53 -18.044 -1.938 4.993 1.00 0.68 C ATOM 754 CG ASN A 53 -18.453 -1.897 6.449 1.00 1.02 C ATOM 755 OD1 ASN A 53 -19.525 -1.403 6.788 1.00 1.29 O ATOM 756 ND2 ASN A 53 -17.618 -2.449 7.317 1.00 1.40 N ATOM 0 H ASN A 53 -17.266 -1.632 2.681 1.00 0.52 H new ATOM 0 HA ASN A 53 -18.057 0.186 4.658 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -18.925 -2.118 4.377 1.00 0.68 H new ATOM 0 HB3 ASN A 53 -17.367 -2.777 4.834 1.00 0.68 H new ATOM 0 HD21 ASN A 53 -17.856 -2.475 8.308 1.00 1.40 H new ATOM 0 HD22 ASN A 53 -16.737 -2.848 6.994 1.00 1.40 H new ATOM 763 N GLU A 54 -14.993 -0.871 4.970 1.00 0.61 N ATOM 764 CA GLU A 54 -13.730 -0.623 5.681 1.00 0.66 C ATOM 765 C GLU A 54 -13.400 0.871 5.639 1.00 0.61 C ATOM 766 O GLU A 54 -12.847 1.428 6.584 1.00 0.71 O ATOM 767 CB GLU A 54 -12.589 -1.434 5.074 1.00 0.73 C ATOM 768 CG GLU A 54 -12.824 -2.938 5.096 1.00 1.31 C ATOM 769 CD GLU A 54 -12.788 -3.516 6.497 1.00 2.20 C ATOM 770 OE1 GLU A 54 -11.854 -3.203 7.255 1.00 2.70 O ATOM 771 OE2 GLU A 54 -13.697 -4.295 6.840 1.00 2.84 O ATOM 0 H GLU A 54 -14.907 -1.465 4.145 1.00 0.61 H new ATOM 0 HA GLU A 54 -13.849 -0.938 6.718 1.00 0.66 H new ATOM 0 HB2 GLU A 54 -12.437 -1.115 4.043 1.00 0.73 H new ATOM 0 HB3 GLU A 54 -11.669 -1.211 5.615 1.00 0.73 H new ATOM 0 HG2 GLU A 54 -13.790 -3.157 4.642 1.00 1.31 H new ATOM 0 HG3 GLU A 54 -12.066 -3.429 4.485 1.00 1.31 H new ATOM 778 N VAL A 55 -13.762 1.514 4.541 1.00 0.51 N ATOM 779 CA VAL A 55 -13.516 2.942 4.372 1.00 0.47 C ATOM 780 C VAL A 55 -14.668 3.759 4.960 1.00 0.44 C ATOM 781 O VAL A 55 -14.453 4.795 5.594 1.00 0.51 O ATOM 782 CB VAL A 55 -13.362 3.317 2.876 1.00 0.49 C ATOM 783 CG1 VAL A 55 -13.136 4.814 2.722 1.00 0.82 C ATOM 784 CG2 VAL A 55 -12.223 2.530 2.232 1.00 0.59 C ATOM 0 H VAL A 55 -14.229 1.071 3.750 1.00 0.51 H new ATOM 0 HA VAL A 55 -12.588 3.171 4.897 1.00 0.47 H new ATOM 0 HB VAL A 55 -14.286 3.054 2.362 1.00 0.49 H new ATOM 0 HG11 VAL A 55 -13.030 5.059 1.665 1.00 0.82 H new ATOM 0 HG12 VAL A 55 -13.987 5.355 3.136 1.00 0.82 H new ATOM 0 HG13 VAL A 55 -12.229 5.102 3.254 1.00 0.82 H new ATOM 0 HG21 VAL A 55 -12.135 2.811 1.182 1.00 0.59 H new ATOM 0 HG22 VAL A 55 -11.289 2.754 2.747 1.00 0.59 H new ATOM 0 HG23 VAL A 55 -12.431 1.463 2.306 1.00 0.59 H new ATOM 794 N ASP A 56 -15.883 3.262 4.744 1.00 0.48 N ATOM 795 CA ASP A 56 -17.106 3.918 5.198 1.00 0.47 C ATOM 796 C ASP A 56 -17.221 3.950 6.716 1.00 0.50 C ATOM 797 O ASP A 56 -16.933 2.970 7.403 1.00 0.55 O ATOM 798 CB ASP A 56 -18.323 3.201 4.603 1.00 0.48 C ATOM 799 CG ASP A 56 -19.506 4.125 4.392 1.00 0.47 C ATOM 800 OD1 ASP A 56 -20.329 4.271 5.311 1.00 0.53 O ATOM 801 OD2 ASP A 56 -19.626 4.706 3.291 1.00 0.48 O ATOM 0 H ASP A 56 -16.048 2.387 4.246 1.00 0.48 H new ATOM 0 HA ASP A 56 -17.069 4.952 4.854 1.00 0.47 H new ATOM 0 HB2 ASP A 56 -18.044 2.752 3.650 1.00 0.48 H new ATOM 0 HB3 ASP A 56 -18.618 2.386 5.264 1.00 0.48 H new ATOM 806 N ALA A 57 -17.651 5.091 7.225 1.00 0.55 N ATOM 807 CA ALA A 57 -17.824 5.289 8.654 1.00 0.60 C ATOM 808 C ALA A 57 -19.148 5.981 8.941 1.00 0.62 C ATOM 809 O ALA A 57 -19.595 6.031 10.086 1.00 0.67 O ATOM 810 CB ALA A 57 -16.671 6.114 9.206 1.00 0.68 C ATOM 0 H ALA A 57 -17.890 5.906 6.660 1.00 0.55 H new ATOM 0 HA ALA A 57 -17.831 4.315 9.143 1.00 0.60 H new ATOM 0 HB1 ALA A 57 -16.807 6.258 10.278 1.00 0.68 H new ATOM 0 HB2 ALA A 57 -15.731 5.591 9.027 1.00 0.68 H new ATOM 0 HB3 ALA A 57 -16.647 7.084 8.709 1.00 0.68 H new ATOM 816 N ASP A 58 -19.770 6.523 7.897 1.00 0.60 N ATOM 817 CA ASP A 58 -21.044 7.218 8.042 1.00 0.65 C ATOM 818 C ASP A 58 -22.201 6.228 7.972 1.00 0.66 C ATOM 819 O ASP A 58 -23.300 6.505 8.451 1.00 0.73 O ATOM 820 CB ASP A 58 -21.193 8.308 6.968 1.00 0.66 C ATOM 821 CG ASP A 58 -21.848 7.810 5.694 1.00 0.64 C ATOM 822 OD1 ASP A 58 -21.136 7.286 4.811 1.00 0.61 O ATOM 823 OD2 ASP A 58 -23.080 7.956 5.570 1.00 0.74 O ATOM 0 H ASP A 58 -19.412 6.494 6.942 1.00 0.60 H new ATOM 0 HA ASP A 58 -21.064 7.701 9.019 1.00 0.65 H new ATOM 0 HB2 ASP A 58 -21.783 9.130 7.374 1.00 0.66 H new ATOM 0 HB3 ASP A 58 -20.208 8.710 6.729 1.00 0.66 H new ATOM 828 N GLY A 59 -21.944 5.074 7.377 1.00 0.62 N ATOM 829 CA GLY A 59 -22.960 4.051 7.266 1.00 0.64 C ATOM 830 C GLY A 59 -23.764 4.160 5.987 1.00 0.67 C ATOM 831 O GLY A 59 -24.928 3.768 5.952 1.00 0.90 O ATOM 0 H GLY A 59 -21.043 4.827 6.967 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -22.488 3.070 7.311 1.00 0.64 H new ATOM 0 HA3 GLY A 59 -23.633 4.120 8.120 1.00 0.64 H new ATOM 835 N ASN A 60 -23.155 4.683 4.930 1.00 0.57 N ATOM 836 CA ASN A 60 -23.852 4.830 3.651 1.00 0.58 C ATOM 837 C ASN A 60 -23.398 3.771 2.647 1.00 0.55 C ATOM 838 O ASN A 60 -24.165 3.369 1.774 1.00 0.60 O ATOM 839 CB ASN A 60 -23.654 6.248 3.073 1.00 0.59 C ATOM 840 CG ASN A 60 -22.756 6.296 1.846 1.00 0.55 C ATOM 841 OD1 ASN A 60 -21.535 6.443 1.958 1.00 0.52 O ATOM 842 ND2 ASN A 60 -23.359 6.190 0.668 1.00 0.58 N ATOM 0 H ASN A 60 -22.189 5.011 4.928 1.00 0.57 H new ATOM 0 HA ASN A 60 -24.916 4.682 3.837 1.00 0.58 H new ATOM 0 HB2 ASN A 60 -24.628 6.663 2.814 1.00 0.59 H new ATOM 0 HB3 ASN A 60 -23.230 6.889 3.846 1.00 0.59 H new ATOM 0 HD21 ASN A 60 -22.810 6.229 -0.191 1.00 0.58 H new ATOM 0 HD22 ASN A 60 -24.371 6.070 0.622 1.00 0.58 H new ATOM 849 N GLY A 61 -22.163 3.308 2.781 1.00 0.51 N ATOM 850 CA GLY A 61 -21.649 2.307 1.866 1.00 0.51 C ATOM 851 C GLY A 61 -21.121 2.918 0.582 1.00 0.49 C ATOM 852 O GLY A 61 -21.389 2.417 -0.510 1.00 0.52 O ATOM 0 H GLY A 61 -21.509 3.606 3.505 1.00 0.51 H new ATOM 0 HA2 GLY A 61 -20.851 1.747 2.354 1.00 0.51 H new ATOM 0 HA3 GLY A 61 -22.439 1.595 1.629 1.00 0.51 H new ATOM 856 N THR A 62 -20.384 4.013 0.713 1.00 0.46 N ATOM 857 CA THR A 62 -19.808 4.708 -0.433 1.00 0.45 C ATOM 858 C THR A 62 -18.601 5.543 0.003 1.00 0.42 C ATOM 859 O THR A 62 -18.681 6.304 0.972 1.00 0.45 O ATOM 860 CB THR A 62 -20.847 5.632 -1.114 1.00 0.50 C ATOM 861 OG1 THR A 62 -21.993 4.872 -1.522 1.00 0.57 O ATOM 862 CG2 THR A 62 -20.254 6.343 -2.321 1.00 0.57 C ATOM 0 H THR A 62 -20.169 4.444 1.612 1.00 0.46 H new ATOM 0 HA THR A 62 -19.492 3.951 -1.150 1.00 0.45 H new ATOM 0 HB THR A 62 -21.146 6.385 -0.385 1.00 0.50 H new ATOM 0 HG1 THR A 62 -22.570 5.427 -2.087 1.00 0.57 H new ATOM 0 HG21 THR A 62 -21.011 6.983 -2.774 1.00 0.57 H new ATOM 0 HG22 THR A 62 -19.407 6.951 -2.005 1.00 0.57 H new ATOM 0 HG23 THR A 62 -19.919 5.605 -3.050 1.00 0.57 H new ATOM 870 N ILE A 63 -17.488 5.368 -0.703 1.00 0.40 N ATOM 871 CA ILE A 63 -16.260 6.110 -0.421 1.00 0.37 C ATOM 872 C ILE A 63 -16.446 7.583 -0.815 1.00 0.40 C ATOM 873 O ILE A 63 -16.333 7.947 -1.988 1.00 0.44 O ATOM 874 CB ILE A 63 -15.046 5.499 -1.186 1.00 0.36 C ATOM 875 CG1 ILE A 63 -14.822 4.040 -0.759 1.00 0.39 C ATOM 876 CG2 ILE A 63 -13.781 6.318 -0.979 1.00 0.43 C ATOM 877 CD1 ILE A 63 -13.493 3.461 -1.209 1.00 0.46 C ATOM 0 H ILE A 63 -17.410 4.713 -1.481 1.00 0.40 H new ATOM 0 HA ILE A 63 -16.053 6.042 0.647 1.00 0.37 H new ATOM 0 HB ILE A 63 -15.280 5.522 -2.250 1.00 0.36 H new ATOM 0 HG12 ILE A 63 -14.885 3.977 0.327 1.00 0.39 H new ATOM 0 HG13 ILE A 63 -15.628 3.427 -1.161 1.00 0.39 H new ATOM 0 HG21 ILE A 63 -12.958 5.861 -1.528 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -13.941 7.333 -1.344 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -13.537 6.348 0.083 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -13.412 2.429 -0.868 1.00 0.46 H new ATOM 0 HD12 ILE A 63 -13.433 3.490 -2.297 1.00 0.46 H new ATOM 0 HD13 ILE A 63 -12.678 4.048 -0.785 1.00 0.46 H new ATOM 889 N ASP A 64 -16.754 8.418 0.177 1.00 0.41 N ATOM 890 CA ASP A 64 -16.991 9.843 -0.045 1.00 0.45 C ATOM 891 C ASP A 64 -15.793 10.691 0.397 1.00 0.45 C ATOM 892 O ASP A 64 -14.785 10.160 0.860 1.00 0.42 O ATOM 893 CB ASP A 64 -18.255 10.286 0.702 1.00 0.49 C ATOM 894 CG ASP A 64 -18.276 9.818 2.140 1.00 0.49 C ATOM 895 OD1 ASP A 64 -17.431 10.280 2.937 1.00 0.49 O ATOM 896 OD2 ASP A 64 -19.146 8.983 2.477 1.00 0.52 O ATOM 0 H ASP A 64 -16.846 8.128 1.151 1.00 0.41 H new ATOM 0 HA ASP A 64 -17.129 9.996 -1.115 1.00 0.45 H new ATOM 0 HB2 ASP A 64 -18.325 11.373 0.677 1.00 0.49 H new ATOM 0 HB3 ASP A 64 -19.133 9.898 0.185 1.00 0.49 H new ATOM 901 N PHE A 65 -15.918 12.015 0.261 1.00 0.51 N ATOM 902 CA PHE A 65 -14.837 12.936 0.631 1.00 0.54 C ATOM 903 C PHE A 65 -14.604 12.981 2.150 1.00 0.54 C ATOM 904 O PHE A 65 -13.458 12.874 2.585 1.00 0.54 O ATOM 905 CB PHE A 65 -15.093 14.351 0.082 1.00 0.61 C ATOM 906 CG PHE A 65 -13.874 15.236 0.074 1.00 0.74 C ATOM 907 CD1 PHE A 65 -12.804 14.954 -0.762 1.00 0.83 C ATOM 908 CD2 PHE A 65 -13.797 16.348 0.901 1.00 0.97 C ATOM 909 CE1 PHE A 65 -11.681 15.767 -0.779 1.00 1.04 C ATOM 910 CE2 PHE A 65 -12.679 17.162 0.890 1.00 1.15 C ATOM 911 CZ PHE A 65 -11.620 16.871 0.052 1.00 1.15 C ATOM 0 H PHE A 65 -16.754 12.473 -0.102 1.00 0.51 H new ATOM 0 HA PHE A 65 -13.928 12.548 0.172 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -15.478 14.271 -0.935 1.00 0.61 H new ATOM 0 HB3 PHE A 65 -15.870 14.826 0.680 1.00 0.61 H new ATOM 0 HD1 PHE A 65 -12.846 14.090 -1.408 1.00 0.83 H new ATOM 0 HD2 PHE A 65 -14.620 16.580 1.561 1.00 0.97 H new ATOM 0 HE1 PHE A 65 -10.857 15.539 -1.439 1.00 1.04 H new ATOM 0 HE2 PHE A 65 -12.634 18.026 1.537 1.00 1.15 H new ATOM 0 HZ PHE A 65 -10.746 17.505 0.046 1.00 1.15 H new ATOM 921 N PRO A 66 -15.657 13.172 2.988 1.00 0.55 N ATOM 922 CA PRO A 66 -15.491 13.196 4.448 1.00 0.56 C ATOM 923 C PRO A 66 -14.676 12.008 4.964 1.00 0.50 C ATOM 924 O PRO A 66 -13.702 12.186 5.698 1.00 0.52 O ATOM 925 CB PRO A 66 -16.926 13.124 4.968 1.00 0.59 C ATOM 926 CG PRO A 66 -17.752 13.734 3.895 1.00 0.63 C ATOM 927 CD PRO A 66 -17.066 13.412 2.596 1.00 0.58 C ATOM 0 HA PRO A 66 -14.945 14.079 4.780 1.00 0.56 H new ATOM 0 HB2 PRO A 66 -17.226 12.094 5.160 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -17.034 13.667 5.907 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -18.765 13.332 3.909 1.00 0.63 H new ATOM 0 HG3 PRO A 66 -17.835 14.812 4.034 1.00 0.63 H new ATOM 0 HD2 PRO A 66 -17.503 12.534 2.120 1.00 0.58 H new ATOM 0 HD3 PRO A 66 -17.149 14.235 1.886 1.00 0.58 H new ATOM 935 N GLU A 67 -15.060 10.799 4.560 1.00 0.46 N ATOM 936 CA GLU A 67 -14.363 9.587 4.986 1.00 0.43 C ATOM 937 C GLU A 67 -12.998 9.479 4.330 1.00 0.43 C ATOM 938 O GLU A 67 -12.087 8.865 4.881 1.00 0.44 O ATOM 939 CB GLU A 67 -15.190 8.352 4.656 1.00 0.41 C ATOM 940 CG GLU A 67 -16.449 8.233 5.489 1.00 0.43 C ATOM 941 CD GLU A 67 -17.471 7.321 4.854 1.00 0.43 C ATOM 942 OE1 GLU A 67 -17.324 6.965 3.666 1.00 0.39 O ATOM 943 OE2 GLU A 67 -18.452 6.959 5.525 1.00 0.51 O ATOM 0 H GLU A 67 -15.851 10.632 3.938 1.00 0.46 H new ATOM 0 HA GLU A 67 -14.224 9.648 6.065 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -15.462 8.377 3.601 1.00 0.41 H new ATOM 0 HB3 GLU A 67 -14.578 7.463 4.806 1.00 0.41 H new ATOM 0 HG2 GLU A 67 -16.193 7.855 6.479 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -16.885 9.222 5.629 1.00 0.43 H new ATOM 950 N PHE A 68 -12.857 10.103 3.168 1.00 0.44 N ATOM 951 CA PHE A 68 -11.602 10.078 2.437 1.00 0.46 C ATOM 952 C PHE A 68 -10.517 10.778 3.245 1.00 0.48 C ATOM 953 O PHE A 68 -9.378 10.322 3.297 1.00 0.48 O ATOM 954 CB PHE A 68 -11.750 10.739 1.066 1.00 0.50 C ATOM 955 CG PHE A 68 -10.450 10.867 0.328 1.00 0.73 C ATOM 956 CD1 PHE A 68 -9.860 9.757 -0.257 1.00 0.94 C ATOM 957 CD2 PHE A 68 -9.809 12.088 0.235 1.00 1.02 C ATOM 958 CE1 PHE A 68 -8.649 9.867 -0.916 1.00 1.29 C ATOM 959 CE2 PHE A 68 -8.603 12.203 -0.426 1.00 1.34 C ATOM 960 CZ PHE A 68 -8.022 11.093 -1.001 1.00 1.44 C ATOM 0 H PHE A 68 -13.600 10.633 2.712 1.00 0.44 H new ATOM 0 HA PHE A 68 -11.318 9.038 2.280 1.00 0.46 H new ATOM 0 HB2 PHE A 68 -12.447 10.157 0.463 1.00 0.50 H new ATOM 0 HB3 PHE A 68 -12.188 11.729 1.193 1.00 0.50 H new ATOM 0 HD1 PHE A 68 -10.351 8.797 -0.197 1.00 0.94 H new ATOM 0 HD2 PHE A 68 -10.257 12.962 0.685 1.00 1.02 H new ATOM 0 HE1 PHE A 68 -8.195 8.995 -1.363 1.00 1.29 H new ATOM 0 HE2 PHE A 68 -8.114 13.164 -0.493 1.00 1.34 H new ATOM 0 HZ PHE A 68 -7.078 11.183 -1.517 1.00 1.44 H new ATOM 970 N LEU A 69 -10.885 11.884 3.884 1.00 0.52 N ATOM 971 CA LEU A 69 -9.946 12.645 4.703 1.00 0.56 C ATOM 972 C LEU A 69 -9.455 11.790 5.870 1.00 0.51 C ATOM 973 O LEU A 69 -8.248 11.631 6.064 1.00 0.50 O ATOM 974 CB LEU A 69 -10.597 13.939 5.226 1.00 0.66 C ATOM 975 CG LEU A 69 -11.099 14.903 4.140 1.00 0.75 C ATOM 976 CD1 LEU A 69 -11.886 16.048 4.760 1.00 0.89 C ATOM 977 CD2 LEU A 69 -9.933 15.453 3.333 1.00 0.82 C ATOM 0 H LEU A 69 -11.827 12.274 3.851 1.00 0.52 H new ATOM 0 HA LEU A 69 -9.094 12.921 4.082 1.00 0.56 H new ATOM 0 HB2 LEU A 69 -11.436 13.671 5.868 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -9.874 14.464 5.850 1.00 0.66 H new ATOM 0 HG LEU A 69 -11.757 14.347 3.473 1.00 0.75 H new ATOM 0 HD11 LEU A 69 -12.232 16.719 3.974 1.00 0.89 H new ATOM 0 HD12 LEU A 69 -12.744 15.649 5.301 1.00 0.89 H new ATOM 0 HD13 LEU A 69 -11.246 16.598 5.450 1.00 0.89 H new ATOM 0 HD21 LEU A 69 -10.308 16.134 2.569 1.00 0.82 H new ATOM 0 HD22 LEU A 69 -9.253 15.990 3.995 1.00 0.82 H new ATOM 0 HD23 LEU A 69 -9.400 14.630 2.856 1.00 0.82 H new ATOM 989 N THR A 70 -10.395 11.231 6.629 1.00 0.52 N ATOM 990 CA THR A 70 -10.070 10.384 7.771 1.00 0.54 C ATOM 991 C THR A 70 -9.335 9.119 7.332 1.00 0.47 C ATOM 992 O THR A 70 -8.342 8.722 7.943 1.00 0.53 O ATOM 993 CB THR A 70 -11.350 9.984 8.522 1.00 0.62 C ATOM 994 OG1 THR A 70 -12.282 11.072 8.498 1.00 0.63 O ATOM 995 CG2 THR A 70 -11.045 9.605 9.961 1.00 0.74 C ATOM 0 H THR A 70 -11.395 11.352 6.471 1.00 0.52 H new ATOM 0 HA THR A 70 -9.419 10.959 8.430 1.00 0.54 H new ATOM 0 HB THR A 70 -11.782 9.116 8.024 1.00 0.62 H new ATOM 0 HG1 THR A 70 -13.098 10.814 8.976 1.00 0.63 H new ATOM 0 HG21 THR A 70 -11.969 9.327 10.468 1.00 0.74 H new ATOM 0 HG22 THR A 70 -10.354 8.762 9.977 1.00 0.74 H new ATOM 0 HG23 THR A 70 -10.592 10.454 10.473 1.00 0.74 H new ATOM 1003 N MET A 71 -9.827 8.493 6.267 1.00 0.42 N ATOM 1004 CA MET A 71 -9.234 7.269 5.737 1.00 0.43 C ATOM 1005 C MET A 71 -7.792 7.504 5.306 1.00 0.39 C ATOM 1006 O MET A 71 -6.897 6.733 5.658 1.00 0.41 O ATOM 1007 CB MET A 71 -10.054 6.755 4.544 1.00 0.51 C ATOM 1008 CG MET A 71 -9.620 5.386 4.049 1.00 0.71 C ATOM 1009 SD MET A 71 -9.750 5.209 2.259 1.00 0.69 S ATOM 1010 CE MET A 71 -8.704 6.548 1.682 1.00 0.68 C ATOM 0 H MET A 71 -10.644 8.818 5.749 1.00 0.42 H new ATOM 0 HA MET A 71 -9.242 6.520 6.529 1.00 0.43 H new ATOM 0 HB2 MET A 71 -11.105 6.712 4.829 1.00 0.51 H new ATOM 0 HB3 MET A 71 -9.974 7.470 3.725 1.00 0.51 H new ATOM 0 HG2 MET A 71 -8.589 5.207 4.352 1.00 0.71 H new ATOM 0 HG3 MET A 71 -10.231 4.622 4.529 1.00 0.71 H new ATOM 0 HE1 MET A 71 -9.323 7.331 1.245 1.00 0.68 H new ATOM 0 HE2 MET A 71 -8.140 6.957 2.521 1.00 0.68 H new ATOM 0 HE3 MET A 71 -8.012 6.171 0.929 1.00 0.68 H new ATOM 1020 N MET A 72 -7.576 8.580 4.570 1.00 0.38 N ATOM 1021 CA MET A 72 -6.246 8.907 4.069 1.00 0.40 C ATOM 1022 C MET A 72 -5.299 9.258 5.219 1.00 0.42 C ATOM 1023 O MET A 72 -4.178 8.754 5.276 1.00 0.45 O ATOM 1024 CB MET A 72 -6.313 10.048 3.056 1.00 0.43 C ATOM 1025 CG MET A 72 -5.282 9.933 1.944 1.00 0.58 C ATOM 1026 SD MET A 72 -3.589 10.116 2.531 1.00 1.18 S ATOM 1027 CE MET A 72 -3.652 11.768 3.227 1.00 1.69 C ATOM 0 H MET A 72 -8.303 9.245 4.304 1.00 0.38 H new ATOM 0 HA MET A 72 -5.851 8.026 3.563 1.00 0.40 H new ATOM 0 HB2 MET A 72 -7.310 10.074 2.615 1.00 0.43 H new ATOM 0 HB3 MET A 72 -6.170 10.995 3.577 1.00 0.43 H new ATOM 0 HG2 MET A 72 -5.389 8.964 1.456 1.00 0.58 H new ATOM 0 HG3 MET A 72 -5.483 10.694 1.190 1.00 0.58 H new ATOM 0 HE1 MET A 72 -2.640 12.113 3.438 1.00 1.69 H new ATOM 0 HE2 MET A 72 -4.125 12.445 2.515 1.00 1.69 H new ATOM 0 HE3 MET A 72 -4.230 11.752 4.151 1.00 1.69 H new ATOM 1037 N ALA A 73 -5.760 10.101 6.147 1.00 0.45 N ATOM 1038 CA ALA A 73 -4.940 10.511 7.291 1.00 0.53 C ATOM 1039 C ALA A 73 -4.444 9.304 8.081 1.00 0.51 C ATOM 1040 O ALA A 73 -3.342 9.320 8.633 1.00 0.55 O ATOM 1041 CB ALA A 73 -5.720 11.453 8.195 1.00 0.63 C ATOM 0 H ALA A 73 -6.693 10.512 6.129 1.00 0.45 H new ATOM 0 HA ALA A 73 -4.068 11.038 6.904 1.00 0.53 H new ATOM 0 HB1 ALA A 73 -5.096 11.747 9.039 1.00 0.63 H new ATOM 0 HB2 ALA A 73 -6.011 12.340 7.632 1.00 0.63 H new ATOM 0 HB3 ALA A 73 -6.613 10.948 8.563 1.00 0.63 H new ATOM 1047 N ARG A 74 -5.268 8.262 8.112 1.00 0.49 N ATOM 1048 CA ARG A 74 -4.952 7.022 8.812 1.00 0.53 C ATOM 1049 C ARG A 74 -3.666 6.395 8.273 1.00 0.53 C ATOM 1050 O ARG A 74 -2.867 5.847 9.030 1.00 0.81 O ATOM 1051 CB ARG A 74 -6.117 6.038 8.652 1.00 0.59 C ATOM 1052 CG ARG A 74 -6.223 5.008 9.761 1.00 0.77 C ATOM 1053 CD ARG A 74 -6.569 3.624 9.222 1.00 1.02 C ATOM 1054 NE ARG A 74 -7.936 3.547 8.688 1.00 0.96 N ATOM 1055 CZ ARG A 74 -8.541 2.394 8.370 1.00 1.22 C ATOM 1056 NH1 ARG A 74 -7.859 1.253 8.401 1.00 1.45 N ATOM 1057 NH2 ARG A 74 -9.815 2.387 7.986 1.00 1.44 N ATOM 0 H ARG A 74 -6.178 8.254 7.650 1.00 0.49 H new ATOM 0 HA ARG A 74 -4.800 7.249 9.867 1.00 0.53 H new ATOM 0 HB2 ARG A 74 -7.049 6.601 8.605 1.00 0.59 H new ATOM 0 HB3 ARG A 74 -6.010 5.519 7.699 1.00 0.59 H new ATOM 0 HG2 ARG A 74 -5.279 4.960 10.303 1.00 0.77 H new ATOM 0 HG3 ARG A 74 -6.985 5.320 10.475 1.00 0.77 H new ATOM 0 HD2 ARG A 74 -5.861 3.357 8.437 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -6.453 2.889 10.019 1.00 1.02 H new ATOM 0 HE ARG A 74 -8.451 4.417 8.552 1.00 0.96 H new ATOM 0 HH11 ARG A 74 -6.874 1.254 8.667 1.00 1.45 H new ATOM 0 HH12 ARG A 74 -8.321 0.376 8.159 1.00 1.45 H new ATOM 0 HH21 ARG A 74 -10.336 3.262 7.932 1.00 1.44 H new ATOM 0 HH22 ARG A 74 -10.270 1.507 7.745 1.00 1.44 H new ATOM 1071 N LYS A 75 -3.463 6.483 6.962 1.00 0.42 N ATOM 1072 CA LYS A 75 -2.279 5.909 6.347 1.00 0.47 C ATOM 1073 C LYS A 75 -1.167 6.937 6.230 1.00 0.56 C ATOM 1074 O LYS A 75 0.013 6.588 6.233 1.00 0.78 O ATOM 1075 CB LYS A 75 -2.604 5.352 4.970 1.00 0.52 C ATOM 1076 CG LYS A 75 -1.850 4.072 4.657 1.00 0.72 C ATOM 1077 CD LYS A 75 -2.449 2.875 5.375 1.00 0.79 C ATOM 1078 CE LYS A 75 -3.899 2.664 4.983 1.00 0.86 C ATOM 1079 NZ LYS A 75 -4.367 1.291 5.276 1.00 0.83 N ATOM 0 H LYS A 75 -4.100 6.944 6.312 1.00 0.42 H new ATOM 0 HA LYS A 75 -1.938 5.098 6.990 1.00 0.47 H new ATOM 0 HB2 LYS A 75 -3.675 5.162 4.904 1.00 0.52 H new ATOM 0 HB3 LYS A 75 -2.366 6.102 4.215 1.00 0.52 H new ATOM 0 HG2 LYS A 75 -1.864 3.895 3.582 1.00 0.72 H new ATOM 0 HG3 LYS A 75 -0.806 4.185 4.948 1.00 0.72 H new ATOM 0 HD2 LYS A 75 -1.873 1.981 5.138 1.00 0.79 H new ATOM 0 HD3 LYS A 75 -2.380 3.023 6.453 1.00 0.79 H new ATOM 0 HE2 LYS A 75 -4.525 3.380 5.516 1.00 0.86 H new ATOM 0 HE3 LYS A 75 -4.018 2.867 3.919 1.00 0.86 H new ATOM 0 HZ1 LYS A 75 -5.328 1.164 4.899 1.00 0.83 H new ATOM 0 HZ2 LYS A 75 -3.727 0.603 4.830 1.00 0.83 H new ATOM 0 HZ3 LYS A 75 -4.375 1.139 6.305 1.00 0.83 H new ATOM 1093 N MET A 76 -1.555 8.204 6.113 1.00 0.58 N ATOM 1094 CA MET A 76 -0.594 9.302 6.002 1.00 0.72 C ATOM 1095 C MET A 76 0.438 9.213 7.120 1.00 0.71 C ATOM 1096 O MET A 76 1.632 9.413 6.904 1.00 0.80 O ATOM 1097 CB MET A 76 -1.312 10.654 6.070 1.00 0.92 C ATOM 1098 CG MET A 76 -0.385 11.841 5.857 1.00 1.20 C ATOM 1099 SD MET A 76 -0.671 13.182 7.031 1.00 1.55 S ATOM 1100 CE MET A 76 -2.403 13.537 6.748 1.00 1.68 C ATOM 0 H MET A 76 -2.531 8.498 6.092 1.00 0.58 H new ATOM 0 HA MET A 76 -0.089 9.219 5.040 1.00 0.72 H new ATOM 0 HB2 MET A 76 -2.099 10.677 5.316 1.00 0.92 H new ATOM 0 HB3 MET A 76 -1.797 10.751 7.041 1.00 0.92 H new ATOM 0 HG2 MET A 76 0.649 11.507 5.941 1.00 1.20 H new ATOM 0 HG3 MET A 76 -0.516 12.219 4.843 1.00 1.20 H new ATOM 0 HE1 MET A 76 -2.569 14.613 6.810 1.00 1.68 H new ATOM 0 HE2 MET A 76 -2.690 13.182 5.758 1.00 1.68 H new ATOM 0 HE3 MET A 76 -3.006 13.033 7.503 1.00 1.68 H new ATOM 1110 N LYS A 77 -0.040 8.888 8.306 1.00 0.72 N ATOM 1111 CA LYS A 77 0.816 8.756 9.463 1.00 0.86 C ATOM 1112 C LYS A 77 0.683 7.356 10.038 1.00 0.77 C ATOM 1113 O LYS A 77 0.525 7.169 11.246 1.00 0.85 O ATOM 1114 CB LYS A 77 0.452 9.806 10.502 1.00 1.11 C ATOM 1115 CG LYS A 77 0.496 11.220 9.958 1.00 1.32 C ATOM 1116 CD LYS A 77 0.203 12.243 11.037 1.00 1.47 C ATOM 1117 CE LYS A 77 -1.139 11.994 11.699 1.00 1.65 C ATOM 1118 NZ LYS A 77 -1.471 13.060 12.677 1.00 1.95 N ATOM 0 H LYS A 77 -1.027 8.710 8.491 1.00 0.72 H new ATOM 0 HA LYS A 77 1.854 8.914 9.169 1.00 0.86 H new ATOM 0 HB2 LYS A 77 -0.548 9.600 10.883 1.00 1.11 H new ATOM 0 HB3 LYS A 77 1.137 9.726 11.346 1.00 1.11 H new ATOM 0 HG2 LYS A 77 1.479 11.415 9.529 1.00 1.32 H new ATOM 0 HG3 LYS A 77 -0.230 11.323 9.152 1.00 1.32 H new ATOM 0 HD2 LYS A 77 0.991 12.213 11.790 1.00 1.47 H new ATOM 0 HD3 LYS A 77 0.214 13.243 10.603 1.00 1.47 H new ATOM 0 HE2 LYS A 77 -1.917 11.943 10.938 1.00 1.65 H new ATOM 0 HE3 LYS A 77 -1.123 11.028 12.204 1.00 1.65 H new ATOM 0 HZ1 LYS A 77 -2.395 12.858 13.110 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -0.741 13.092 13.417 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -1.511 13.978 12.190 1.00 1.95 H new ATOM 1132 N ASP A 78 0.744 6.373 9.148 1.00 0.83 N ATOM 1133 CA ASP A 78 0.627 4.978 9.534 1.00 0.83 C ATOM 1134 C ASP A 78 1.872 4.507 10.266 1.00 0.81 C ATOM 1135 O ASP A 78 2.900 4.199 9.651 1.00 1.06 O ATOM 1136 CB ASP A 78 0.394 4.095 8.314 1.00 1.15 C ATOM 1137 CG ASP A 78 0.221 2.630 8.676 1.00 1.18 C ATOM 1138 OD1 ASP A 78 0.099 2.312 9.879 1.00 1.18 O ATOM 1139 OD2 ASP A 78 0.207 1.792 7.758 1.00 1.41 O ATOM 0 H ASP A 78 0.875 6.521 8.147 1.00 0.83 H new ATOM 0 HA ASP A 78 -0.229 4.896 10.204 1.00 0.83 H new ATOM 0 HB2 ASP A 78 -0.493 4.441 7.784 1.00 1.15 H new ATOM 0 HB3 ASP A 78 1.236 4.199 7.629 1.00 1.15 H new ATOM 1144 N THR A 79 1.777 4.484 11.576 1.00 0.72 N ATOM 1145 CA THR A 79 2.863 4.033 12.418 1.00 0.95 C ATOM 1146 C THR A 79 2.279 3.221 13.568 1.00 0.92 C ATOM 1147 O THR A 79 2.917 2.986 14.598 1.00 1.10 O ATOM 1148 CB THR A 79 3.692 5.223 12.945 1.00 1.28 C ATOM 1149 OG1 THR A 79 2.818 6.235 13.468 1.00 1.45 O ATOM 1150 CG2 THR A 79 4.549 5.818 11.831 1.00 1.43 C ATOM 0 H THR A 79 0.945 4.777 12.088 1.00 0.72 H new ATOM 0 HA THR A 79 3.540 3.409 11.835 1.00 0.95 H new ATOM 0 HB THR A 79 4.347 4.861 13.737 1.00 1.28 H new ATOM 0 HG1 THR A 79 3.351 6.987 13.802 1.00 1.45 H new ATOM 0 HG21 THR A 79 5.126 6.656 12.223 1.00 1.43 H new ATOM 0 HG22 THR A 79 5.229 5.057 11.449 1.00 1.43 H new ATOM 0 HG23 THR A 79 3.905 6.167 11.024 1.00 1.43 H new ATOM 1158 N ASP A 80 1.039 2.802 13.357 1.00 0.79 N ATOM 1159 CA ASP A 80 0.296 2.005 14.319 1.00 0.83 C ATOM 1160 C ASP A 80 -0.488 0.953 13.555 1.00 0.80 C ATOM 1161 O ASP A 80 -1.558 0.516 13.976 1.00 1.18 O ATOM 1162 CB ASP A 80 -0.652 2.891 15.125 1.00 1.03 C ATOM 1163 CG ASP A 80 -0.616 2.567 16.606 1.00 1.39 C ATOM 1164 OD1 ASP A 80 0.344 2.977 17.293 1.00 1.69 O ATOM 1165 OD2 ASP A 80 -1.549 1.895 17.095 1.00 1.78 O ATOM 0 H ASP A 80 0.517 3.008 12.505 1.00 0.79 H new ATOM 0 HA ASP A 80 0.982 1.527 15.018 1.00 0.83 H new ATOM 0 HB2 ASP A 80 -0.384 3.937 14.977 1.00 1.03 H new ATOM 0 HB3 ASP A 80 -1.669 2.767 14.752 1.00 1.03 H new ATOM 1170 N SER A 81 0.098 0.569 12.427 1.00 0.74 N ATOM 1171 CA SER A 81 -0.463 -0.392 11.483 1.00 0.82 C ATOM 1172 C SER A 81 -1.226 -1.545 12.137 1.00 0.75 C ATOM 1173 O SER A 81 -0.635 -2.471 12.693 1.00 0.89 O ATOM 1174 CB SER A 81 0.671 -0.936 10.622 1.00 1.10 C ATOM 1175 OG SER A 81 1.568 0.101 10.252 1.00 1.10 O ATOM 0 H SER A 81 1.006 0.929 12.134 1.00 0.74 H new ATOM 0 HA SER A 81 -1.203 0.139 10.884 1.00 0.82 H new ATOM 0 HB2 SER A 81 1.209 -1.710 11.169 1.00 1.10 H new ATOM 0 HB3 SER A 81 0.261 -1.404 9.727 1.00 1.10 H new ATOM 0 HG SER A 81 1.100 0.962 10.276 1.00 1.10 H new ATOM 1181 N GLU A 82 -2.552 -1.473 12.062 1.00 0.69 N ATOM 1182 CA GLU A 82 -3.406 -2.518 12.608 1.00 0.76 C ATOM 1183 C GLU A 82 -3.835 -3.455 11.491 1.00 0.64 C ATOM 1184 O GLU A 82 -3.425 -4.612 11.435 1.00 0.78 O ATOM 1185 CB GLU A 82 -4.636 -1.913 13.287 1.00 0.90 C ATOM 1186 CG GLU A 82 -5.467 -2.939 14.046 1.00 1.13 C ATOM 1187 CD GLU A 82 -4.669 -3.646 15.119 1.00 1.39 C ATOM 1188 OE1 GLU A 82 -3.896 -4.569 14.781 1.00 1.72 O ATOM 1189 OE2 GLU A 82 -4.802 -3.274 16.302 1.00 1.86 O ATOM 0 H GLU A 82 -3.057 -0.700 11.628 1.00 0.69 H new ATOM 0 HA GLU A 82 -2.844 -3.076 13.357 1.00 0.76 H new ATOM 0 HB2 GLU A 82 -4.315 -1.133 13.977 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -5.261 -1.435 12.533 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -6.324 -2.443 14.502 1.00 1.13 H new ATOM 0 HG3 GLU A 82 -5.860 -3.675 13.345 1.00 1.13 H new ATOM 1196 N GLU A 83 -4.662 -2.933 10.600 1.00 0.53 N ATOM 1197 CA GLU A 83 -5.143 -3.694 9.460 1.00 0.52 C ATOM 1198 C GLU A 83 -4.457 -3.214 8.195 1.00 0.45 C ATOM 1199 O GLU A 83 -4.525 -3.853 7.143 1.00 0.48 O ATOM 1200 CB GLU A 83 -6.659 -3.535 9.325 1.00 0.68 C ATOM 1201 CG GLU A 83 -7.098 -2.083 9.264 1.00 1.37 C ATOM 1202 CD GLU A 83 -8.596 -1.929 9.280 1.00 1.96 C ATOM 1203 OE1 GLU A 83 -9.265 -2.640 10.065 1.00 2.40 O ATOM 1204 OE2 GLU A 83 -9.105 -1.092 8.516 1.00 2.70 O ATOM 0 H GLU A 83 -5.016 -1.978 10.646 1.00 0.53 H new ATOM 0 HA GLU A 83 -4.912 -4.748 9.613 1.00 0.52 H new ATOM 0 HB2 GLU A 83 -6.994 -4.049 8.424 1.00 0.68 H new ATOM 0 HB3 GLU A 83 -7.147 -4.022 10.170 1.00 0.68 H new ATOM 0 HG2 GLU A 83 -6.672 -1.543 10.109 1.00 1.37 H new ATOM 0 HG3 GLU A 83 -6.699 -1.625 8.359 1.00 1.37 H new ATOM 1211 N GLU A 84 -3.796 -2.069 8.314 1.00 0.44 N ATOM 1212 CA GLU A 84 -3.088 -1.438 7.201 1.00 0.46 C ATOM 1213 C GLU A 84 -2.119 -2.406 6.507 1.00 0.41 C ATOM 1214 O GLU A 84 -2.155 -2.547 5.282 1.00 0.46 O ATOM 1215 CB GLU A 84 -2.324 -0.187 7.668 1.00 0.56 C ATOM 1216 CG GLU A 84 -2.903 0.478 8.910 1.00 0.70 C ATOM 1217 CD GLU A 84 -4.397 0.751 8.817 1.00 0.73 C ATOM 1218 OE1 GLU A 84 -4.837 1.363 7.827 1.00 1.26 O ATOM 1219 OE2 GLU A 84 -5.131 0.347 9.741 1.00 1.27 O ATOM 0 H GLU A 84 -3.734 -1.548 9.188 1.00 0.44 H new ATOM 0 HA GLU A 84 -3.848 -1.144 6.477 1.00 0.46 H new ATOM 0 HB2 GLU A 84 -1.288 -0.462 7.868 1.00 0.56 H new ATOM 0 HB3 GLU A 84 -2.310 0.539 6.855 1.00 0.56 H new ATOM 0 HG2 GLU A 84 -2.712 -0.158 9.774 1.00 0.70 H new ATOM 0 HG3 GLU A 84 -2.381 1.419 9.085 1.00 0.70 H new ATOM 1226 N ILE A 85 -1.291 -3.090 7.298 1.00 0.38 N ATOM 1227 CA ILE A 85 -0.332 -4.053 6.750 1.00 0.42 C ATOM 1228 C ILE A 85 -1.045 -5.128 5.926 1.00 0.40 C ATOM 1229 O ILE A 85 -0.586 -5.482 4.842 1.00 0.41 O ATOM 1230 CB ILE A 85 0.488 -4.777 7.844 1.00 0.53 C ATOM 1231 CG1 ILE A 85 0.892 -3.821 8.957 1.00 1.17 C ATOM 1232 CG2 ILE A 85 1.728 -5.427 7.239 1.00 1.38 C ATOM 1233 CD1 ILE A 85 1.391 -4.520 10.202 1.00 1.50 C ATOM 0 H ILE A 85 -1.264 -2.997 8.313 1.00 0.38 H new ATOM 0 HA ILE A 85 0.344 -3.465 6.129 1.00 0.42 H new ATOM 0 HB ILE A 85 -0.146 -5.552 8.275 1.00 0.53 H new ATOM 0 HG12 ILE A 85 1.671 -3.154 8.587 1.00 1.17 H new ATOM 0 HG13 ILE A 85 0.037 -3.198 9.218 1.00 1.17 H new ATOM 0 HG21 ILE A 85 2.293 -5.932 8.022 1.00 1.38 H new ATOM 0 HG22 ILE A 85 1.427 -6.153 6.484 1.00 1.38 H new ATOM 0 HG23 ILE A 85 2.352 -4.661 6.778 1.00 1.38 H new ATOM 0 HD11 ILE A 85 1.661 -3.777 10.953 1.00 1.50 H new ATOM 0 HD12 ILE A 85 0.606 -5.166 10.596 1.00 1.50 H new ATOM 0 HD13 ILE A 85 2.266 -5.121 9.956 1.00 1.50 H new ATOM 1245 N ARG A 86 -2.172 -5.607 6.429 1.00 0.41 N ATOM 1246 CA ARG A 86 -2.923 -6.660 5.748 1.00 0.44 C ATOM 1247 C ARG A 86 -3.505 -6.159 4.439 1.00 0.42 C ATOM 1248 O ARG A 86 -3.350 -6.796 3.403 1.00 0.44 O ATOM 1249 CB ARG A 86 -4.048 -7.182 6.645 1.00 0.50 C ATOM 1250 CG ARG A 86 -4.078 -8.693 6.764 1.00 0.89 C ATOM 1251 CD ARG A 86 -2.821 -9.214 7.432 1.00 1.26 C ATOM 1252 NE ARG A 86 -2.900 -10.636 7.717 1.00 1.63 N ATOM 1253 CZ ARG A 86 -1.990 -11.297 8.421 1.00 2.02 C ATOM 1254 NH1 ARG A 86 -0.928 -10.666 8.903 1.00 2.11 N ATOM 1255 NH2 ARG A 86 -2.143 -12.595 8.637 1.00 2.57 N ATOM 0 H ARG A 86 -2.589 -5.287 7.303 1.00 0.41 H new ATOM 0 HA ARG A 86 -2.230 -7.473 5.531 1.00 0.44 H new ATOM 0 HB2 ARG A 86 -3.938 -6.750 7.640 1.00 0.50 H new ATOM 0 HB3 ARG A 86 -5.004 -6.838 6.251 1.00 0.50 H new ATOM 0 HG2 ARG A 86 -4.952 -8.998 7.339 1.00 0.89 H new ATOM 0 HG3 ARG A 86 -4.178 -9.137 5.773 1.00 0.89 H new ATOM 0 HD2 ARG A 86 -1.963 -9.021 6.788 1.00 1.26 H new ATOM 0 HD3 ARG A 86 -2.652 -8.668 8.360 1.00 1.26 H new ATOM 0 HE ARG A 86 -3.700 -11.156 7.356 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -0.807 -9.667 8.733 1.00 2.11 H new ATOM 0 HH12 ARG A 86 -0.232 -11.179 9.444 1.00 2.11 H new ATOM 0 HH21 ARG A 86 -2.957 -13.082 8.263 1.00 2.57 H new ATOM 0 HH22 ARG A 86 -1.446 -13.108 9.178 1.00 2.57 H new ATOM 1269 N GLU A 87 -4.222 -5.042 4.507 1.00 0.42 N ATOM 1270 CA GLU A 87 -4.837 -4.444 3.328 1.00 0.44 C ATOM 1271 C GLU A 87 -3.821 -4.258 2.191 1.00 0.43 C ATOM 1272 O GLU A 87 -4.015 -4.789 1.092 1.00 0.45 O ATOM 1273 CB GLU A 87 -5.520 -3.123 3.706 1.00 0.48 C ATOM 1274 CG GLU A 87 -5.564 -2.075 2.602 1.00 0.47 C ATOM 1275 CD GLU A 87 -5.105 -0.725 3.095 1.00 0.64 C ATOM 1276 OE1 GLU A 87 -3.886 -0.525 3.220 1.00 1.47 O ATOM 1277 OE2 GLU A 87 -5.960 0.135 3.374 1.00 0.92 O ATOM 0 H GLU A 87 -4.392 -4.530 5.373 1.00 0.42 H new ATOM 0 HA GLU A 87 -5.599 -5.127 2.952 1.00 0.44 H new ATOM 0 HB2 GLU A 87 -6.541 -3.338 4.021 1.00 0.48 H new ATOM 0 HB3 GLU A 87 -5.003 -2.699 4.567 1.00 0.48 H new ATOM 0 HG2 GLU A 87 -4.932 -2.393 1.773 1.00 0.47 H new ATOM 0 HG3 GLU A 87 -6.580 -1.995 2.216 1.00 0.47 H new ATOM 1284 N ALA A 88 -2.726 -3.558 2.451 1.00 0.41 N ATOM 1285 CA ALA A 88 -1.712 -3.335 1.416 1.00 0.40 C ATOM 1286 C ALA A 88 -1.049 -4.638 0.997 1.00 0.40 C ATOM 1287 O ALA A 88 -0.573 -4.765 -0.127 1.00 0.41 O ATOM 1288 CB ALA A 88 -0.657 -2.354 1.898 1.00 0.41 C ATOM 0 H ALA A 88 -2.513 -3.137 3.356 1.00 0.41 H new ATOM 0 HA ALA A 88 -2.221 -2.914 0.549 1.00 0.40 H new ATOM 0 HB1 ALA A 88 0.085 -2.204 1.114 1.00 0.41 H new ATOM 0 HB2 ALA A 88 -1.129 -1.401 2.139 1.00 0.41 H new ATOM 0 HB3 ALA A 88 -0.169 -2.752 2.788 1.00 0.41 H new ATOM 1294 N PHE A 89 -1.042 -5.612 1.892 1.00 0.39 N ATOM 1295 CA PHE A 89 -0.417 -6.884 1.602 1.00 0.41 C ATOM 1296 C PHE A 89 -1.304 -7.724 0.705 1.00 0.43 C ATOM 1297 O PHE A 89 -0.819 -8.405 -0.178 1.00 0.46 O ATOM 1298 CB PHE A 89 -0.111 -7.638 2.892 1.00 0.42 C ATOM 1299 CG PHE A 89 1.212 -8.345 2.865 1.00 0.40 C ATOM 1300 CD1 PHE A 89 1.320 -9.609 2.311 1.00 0.63 C ATOM 1301 CD2 PHE A 89 2.343 -7.752 3.391 1.00 0.52 C ATOM 1302 CE1 PHE A 89 2.532 -10.267 2.287 1.00 0.75 C ATOM 1303 CE2 PHE A 89 3.556 -8.406 3.366 1.00 0.64 C ATOM 1304 CZ PHE A 89 3.652 -9.664 2.817 1.00 0.68 C ATOM 0 H PHE A 89 -1.461 -5.544 2.820 1.00 0.39 H new ATOM 0 HA PHE A 89 0.520 -6.690 1.081 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -0.124 -6.937 3.727 1.00 0.42 H new ATOM 0 HB3 PHE A 89 -0.901 -8.366 3.075 1.00 0.42 H new ATOM 0 HD1 PHE A 89 0.445 -10.085 1.893 1.00 0.63 H new ATOM 0 HD2 PHE A 89 2.276 -6.766 3.826 1.00 0.52 H new ATOM 0 HE1 PHE A 89 2.603 -11.254 1.853 1.00 0.75 H new ATOM 0 HE2 PHE A 89 4.433 -7.930 3.778 1.00 0.64 H new ATOM 0 HZ PHE A 89 4.602 -10.177 2.802 1.00 0.68 H new ATOM 1314 N ARG A 90 -2.613 -7.647 0.924 1.00 0.45 N ATOM 1315 CA ARG A 90 -3.558 -8.408 0.113 1.00 0.49 C ATOM 1316 C ARG A 90 -3.653 -7.820 -1.286 1.00 0.47 C ATOM 1317 O ARG A 90 -4.122 -8.473 -2.217 1.00 0.54 O ATOM 1318 CB ARG A 90 -4.942 -8.434 0.764 1.00 0.57 C ATOM 1319 CG ARG A 90 -5.022 -9.326 1.991 1.00 1.06 C ATOM 1320 CD ARG A 90 -6.103 -8.859 2.956 1.00 1.28 C ATOM 1321 NE ARG A 90 -7.438 -9.282 2.537 1.00 1.54 N ATOM 1322 CZ ARG A 90 -8.568 -8.908 3.142 1.00 1.91 C ATOM 1323 NH1 ARG A 90 -8.535 -8.102 4.196 1.00 2.17 N ATOM 1324 NH2 ARG A 90 -9.733 -9.356 2.691 1.00 2.35 N ATOM 0 H ARG A 90 -3.041 -7.071 1.649 1.00 0.45 H new ATOM 0 HA ARG A 90 -3.191 -9.432 0.043 1.00 0.49 H new ATOM 0 HB2 ARG A 90 -5.221 -7.418 1.045 1.00 0.57 H new ATOM 0 HB3 ARG A 90 -5.673 -8.774 0.030 1.00 0.57 H new ATOM 0 HG2 ARG A 90 -5.227 -10.351 1.683 1.00 1.06 H new ATOM 0 HG3 ARG A 90 -4.058 -9.333 2.500 1.00 1.06 H new ATOM 0 HD2 ARG A 90 -5.894 -9.253 3.951 1.00 1.28 H new ATOM 0 HD3 ARG A 90 -6.075 -7.772 3.031 1.00 1.28 H new ATOM 0 HE ARG A 90 -7.511 -9.903 1.731 1.00 1.54 H new ATOM 0 HH11 ARG A 90 -7.641 -7.763 4.551 1.00 2.17 H new ATOM 0 HH12 ARG A 90 -9.404 -7.822 4.651 1.00 2.17 H new ATOM 0 HH21 ARG A 90 -9.762 -9.982 1.887 1.00 2.35 H new ATOM 0 HH22 ARG A 90 -10.600 -9.074 3.149 1.00 2.35 H new ATOM 1338 N VAL A 91 -3.232 -6.570 -1.418 1.00 0.43 N ATOM 1339 CA VAL A 91 -3.244 -5.906 -2.707 1.00 0.43 C ATOM 1340 C VAL A 91 -1.956 -6.214 -3.471 1.00 0.41 C ATOM 1341 O VAL A 91 -1.973 -6.388 -4.686 1.00 0.41 O ATOM 1342 CB VAL A 91 -3.448 -4.379 -2.546 1.00 0.44 C ATOM 1343 CG1 VAL A 91 -3.260 -3.643 -3.865 1.00 0.47 C ATOM 1344 CG2 VAL A 91 -4.832 -4.116 -1.984 1.00 0.46 C ATOM 0 H VAL A 91 -2.880 -6.000 -0.649 1.00 0.43 H new ATOM 0 HA VAL A 91 -4.086 -6.288 -3.284 1.00 0.43 H new ATOM 0 HB VAL A 91 -2.693 -4.001 -1.857 1.00 0.44 H new ATOM 0 HG11 VAL A 91 -3.411 -2.575 -3.710 1.00 0.47 H new ATOM 0 HG12 VAL A 91 -2.250 -3.816 -4.238 1.00 0.47 H new ATOM 0 HG13 VAL A 91 -3.983 -4.010 -4.593 1.00 0.47 H new ATOM 0 HG21 VAL A 91 -4.980 -3.042 -1.869 1.00 0.46 H new ATOM 0 HG22 VAL A 91 -5.583 -4.515 -2.666 1.00 0.46 H new ATOM 0 HG23 VAL A 91 -4.929 -4.602 -1.013 1.00 0.46 H new ATOM 1354 N PHE A 92 -0.847 -6.302 -2.751 1.00 0.42 N ATOM 1355 CA PHE A 92 0.439 -6.617 -3.378 1.00 0.42 C ATOM 1356 C PHE A 92 0.596 -8.120 -3.566 1.00 0.43 C ATOM 1357 O PHE A 92 1.192 -8.570 -4.542 1.00 0.47 O ATOM 1358 CB PHE A 92 1.610 -6.091 -2.543 1.00 0.43 C ATOM 1359 CG PHE A 92 1.692 -4.596 -2.466 1.00 0.36 C ATOM 1360 CD1 PHE A 92 1.327 -3.806 -3.548 1.00 0.42 C ATOM 1361 CD2 PHE A 92 2.141 -3.978 -1.308 1.00 0.39 C ATOM 1362 CE1 PHE A 92 1.408 -2.430 -3.473 1.00 0.42 C ATOM 1363 CE2 PHE A 92 2.221 -2.603 -1.230 1.00 0.43 C ATOM 1364 CZ PHE A 92 1.852 -1.828 -2.314 1.00 0.40 C ATOM 0 H PHE A 92 -0.806 -6.162 -1.741 1.00 0.42 H new ATOM 0 HA PHE A 92 0.451 -6.126 -4.351 1.00 0.42 H new ATOM 0 HB2 PHE A 92 1.529 -6.491 -1.532 1.00 0.43 H new ATOM 0 HB3 PHE A 92 2.541 -6.473 -2.963 1.00 0.43 H new ATOM 0 HD1 PHE A 92 0.976 -4.272 -4.457 1.00 0.42 H new ATOM 0 HD2 PHE A 92 2.431 -4.579 -0.459 1.00 0.39 H new ATOM 0 HE1 PHE A 92 1.124 -1.825 -4.321 1.00 0.42 H new ATOM 0 HE2 PHE A 92 2.571 -2.132 -0.323 1.00 0.43 H new ATOM 0 HZ PHE A 92 1.911 -0.751 -2.253 1.00 0.40 H new ATOM 1374 N ASP A 93 0.067 -8.893 -2.625 1.00 0.44 N ATOM 1375 CA ASP A 93 0.156 -10.348 -2.689 1.00 0.47 C ATOM 1376 C ASP A 93 -1.084 -10.915 -3.370 1.00 0.52 C ATOM 1377 O ASP A 93 -2.073 -11.253 -2.716 1.00 0.80 O ATOM 1378 CB ASP A 93 0.306 -10.947 -1.290 1.00 0.50 C ATOM 1379 CG ASP A 93 1.256 -12.125 -1.264 1.00 0.52 C ATOM 1380 OD1 ASP A 93 2.405 -11.982 -1.730 1.00 0.54 O ATOM 1381 OD2 ASP A 93 0.866 -13.202 -0.787 1.00 0.80 O ATOM 0 H ASP A 93 -0.429 -8.537 -1.808 1.00 0.44 H new ATOM 0 HA ASP A 93 1.039 -10.613 -3.271 1.00 0.47 H new ATOM 0 HB2 ASP A 93 0.666 -10.179 -0.606 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -0.672 -11.264 -0.927 1.00 0.50 H new ATOM 1386 N LYS A 94 -1.016 -11.021 -4.689 1.00 0.48 N ATOM 1387 CA LYS A 94 -2.129 -11.523 -5.482 1.00 0.54 C ATOM 1388 C LYS A 94 -2.251 -13.037 -5.366 1.00 0.56 C ATOM 1389 O LYS A 94 -3.325 -13.602 -5.576 1.00 0.65 O ATOM 1390 CB LYS A 94 -1.947 -11.125 -6.954 1.00 0.60 C ATOM 1391 CG LYS A 94 -3.081 -11.584 -7.861 1.00 0.86 C ATOM 1392 CD LYS A 94 -2.619 -11.752 -9.301 1.00 1.06 C ATOM 1393 CE LYS A 94 -3.705 -12.364 -10.177 1.00 1.31 C ATOM 1394 NZ LYS A 94 -4.208 -13.659 -9.648 1.00 1.70 N ATOM 0 H LYS A 94 -0.195 -10.764 -5.236 1.00 0.48 H new ATOM 0 HA LYS A 94 -3.046 -11.078 -5.096 1.00 0.54 H new ATOM 0 HB2 LYS A 94 -1.859 -10.041 -7.019 1.00 0.60 H new ATOM 0 HB3 LYS A 94 -1.010 -11.543 -7.320 1.00 0.60 H new ATOM 0 HG2 LYS A 94 -3.480 -12.530 -7.494 1.00 0.86 H new ATOM 0 HG3 LYS A 94 -3.894 -10.859 -7.822 1.00 0.86 H new ATOM 0 HD2 LYS A 94 -2.330 -10.782 -9.705 1.00 1.06 H new ATOM 0 HD3 LYS A 94 -1.732 -12.385 -9.326 1.00 1.06 H new ATOM 0 HE2 LYS A 94 -4.536 -11.663 -10.261 1.00 1.31 H new ATOM 0 HE3 LYS A 94 -3.313 -12.515 -11.183 1.00 1.31 H new ATOM 0 HZ1 LYS A 94 -4.717 -14.167 -10.399 1.00 1.70 H new ATOM 0 HZ2 LYS A 94 -3.406 -14.236 -9.322 1.00 1.70 H new ATOM 0 HZ3 LYS A 94 -4.853 -13.482 -8.852 1.00 1.70 H new ATOM 1408 N ASP A 95 -1.153 -13.692 -5.027 1.00 0.55 N ATOM 1409 CA ASP A 95 -1.145 -15.145 -4.902 1.00 0.59 C ATOM 1410 C ASP A 95 -1.532 -15.594 -3.503 1.00 0.60 C ATOM 1411 O ASP A 95 -1.876 -16.758 -3.297 1.00 0.67 O ATOM 1412 CB ASP A 95 0.228 -15.716 -5.264 1.00 0.59 C ATOM 1413 CG ASP A 95 1.365 -15.078 -4.494 1.00 0.55 C ATOM 1414 OD1 ASP A 95 1.145 -14.593 -3.375 1.00 0.62 O ATOM 1415 OD2 ASP A 95 2.499 -15.033 -5.003 1.00 0.58 O ATOM 0 H ASP A 95 -0.257 -13.245 -4.833 1.00 0.55 H new ATOM 0 HA ASP A 95 -1.889 -15.528 -5.601 1.00 0.59 H new ATOM 0 HB2 ASP A 95 0.228 -16.790 -5.075 1.00 0.59 H new ATOM 0 HB3 ASP A 95 0.400 -15.580 -6.332 1.00 0.59 H new ATOM 1420 N GLY A 96 -1.472 -14.680 -2.548 1.00 0.58 N ATOM 1421 CA GLY A 96 -1.807 -15.023 -1.183 1.00 0.61 C ATOM 1422 C GLY A 96 -0.832 -16.025 -0.594 1.00 0.61 C ATOM 1423 O GLY A 96 -1.233 -16.908 0.161 1.00 0.72 O ATOM 0 H GLY A 96 -1.198 -13.708 -2.693 1.00 0.58 H new ATOM 0 HA2 GLY A 96 -1.812 -14.120 -0.573 1.00 0.61 H new ATOM 0 HA3 GLY A 96 -2.815 -15.435 -1.150 1.00 0.61 H new ATOM 1427 N ASN A 97 0.445 -15.907 -0.956 1.00 0.61 N ATOM 1428 CA ASN A 97 1.469 -16.816 -0.447 1.00 0.62 C ATOM 1429 C ASN A 97 2.222 -16.171 0.715 1.00 0.60 C ATOM 1430 O ASN A 97 3.019 -16.825 1.394 1.00 0.66 O ATOM 1431 CB ASN A 97 2.443 -17.250 -1.564 1.00 0.62 C ATOM 1432 CG ASN A 97 3.525 -16.228 -1.893 1.00 0.55 C ATOM 1433 OD1 ASN A 97 3.298 -15.018 -1.886 1.00 0.58 O ATOM 1434 ND2 ASN A 97 4.720 -16.713 -2.191 1.00 0.72 N ATOM 0 H ASN A 97 0.793 -15.194 -1.597 1.00 0.61 H new ATOM 0 HA ASN A 97 0.972 -17.714 -0.081 1.00 0.62 H new ATOM 0 HB2 ASN A 97 2.921 -18.184 -1.269 1.00 0.62 H new ATOM 0 HB3 ASN A 97 1.870 -17.457 -2.468 1.00 0.62 H new ATOM 0 HD21 ASN A 97 5.484 -16.079 -2.423 1.00 0.72 H new ATOM 0 HD22 ASN A 97 4.877 -17.721 -2.188 1.00 0.72 H new ATOM 1441 N GLY A 98 1.963 -14.885 0.930 1.00 0.55 N ATOM 1442 CA GLY A 98 2.592 -14.152 2.009 1.00 0.56 C ATOM 1443 C GLY A 98 3.987 -13.679 1.661 1.00 0.53 C ATOM 1444 O GLY A 98 4.773 -13.355 2.549 1.00 0.58 O ATOM 0 H GLY A 98 1.318 -14.332 0.365 1.00 0.55 H new ATOM 0 HA2 GLY A 98 1.975 -13.291 2.266 1.00 0.56 H new ATOM 0 HA3 GLY A 98 2.638 -14.786 2.894 1.00 0.56 H new ATOM 1448 N TYR A 99 4.290 -13.631 0.372 1.00 0.53 N ATOM 1449 CA TYR A 99 5.605 -13.203 -0.094 1.00 0.50 C ATOM 1450 C TYR A 99 5.491 -12.292 -1.310 1.00 0.50 C ATOM 1451 O TYR A 99 5.061 -12.725 -2.389 1.00 0.54 O ATOM 1452 CB TYR A 99 6.478 -14.405 -0.450 1.00 0.52 C ATOM 1453 CG TYR A 99 7.044 -15.137 0.745 1.00 0.70 C ATOM 1454 CD1 TYR A 99 7.916 -14.502 1.622 1.00 0.91 C ATOM 1455 CD2 TYR A 99 6.724 -16.466 0.986 1.00 0.92 C ATOM 1456 CE1 TYR A 99 8.439 -15.167 2.711 1.00 1.17 C ATOM 1457 CE2 TYR A 99 7.245 -17.139 2.073 1.00 1.19 C ATOM 1458 CZ TYR A 99 8.105 -16.486 2.930 1.00 1.26 C ATOM 1459 OH TYR A 99 8.630 -17.153 4.009 1.00 1.57 O ATOM 0 H TYR A 99 3.642 -13.884 -0.374 1.00 0.53 H new ATOM 0 HA TYR A 99 6.069 -12.650 0.723 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.889 -15.104 -1.044 1.00 0.52 H new ATOM 0 HB3 TYR A 99 7.302 -14.068 -1.079 1.00 0.52 H new ATOM 0 HD1 TYR A 99 8.188 -13.471 1.448 1.00 0.91 H new ATOM 0 HD2 TYR A 99 6.056 -16.982 0.312 1.00 0.92 H new ATOM 0 HE1 TYR A 99 9.107 -14.657 3.389 1.00 1.17 H new ATOM 0 HE2 TYR A 99 6.980 -18.171 2.251 1.00 1.19 H new ATOM 0 HH TYR A 99 8.294 -18.073 4.020 1.00 1.57 H new ATOM 1469 N ILE A 100 5.869 -11.036 -1.127 1.00 0.49 N ATOM 1470 CA ILE A 100 5.833 -10.058 -2.198 1.00 0.52 C ATOM 1471 C ILE A 100 7.206 -9.986 -2.859 1.00 0.61 C ATOM 1472 O ILE A 100 8.227 -9.940 -2.182 1.00 0.64 O ATOM 1473 CB ILE A 100 5.444 -8.654 -1.665 1.00 0.55 C ATOM 1474 CG1 ILE A 100 4.114 -8.718 -0.913 1.00 0.58 C ATOM 1475 CG2 ILE A 100 5.361 -7.641 -2.800 1.00 0.60 C ATOM 1476 CD1 ILE A 100 3.817 -7.471 -0.110 1.00 0.69 C ATOM 0 H ILE A 100 6.207 -10.670 -0.237 1.00 0.49 H new ATOM 0 HA ILE A 100 5.080 -10.369 -2.922 1.00 0.52 H new ATOM 0 HB ILE A 100 6.222 -8.328 -0.975 1.00 0.55 H new ATOM 0 HG12 ILE A 100 3.308 -8.881 -1.629 1.00 0.58 H new ATOM 0 HG13 ILE A 100 4.125 -9.578 -0.244 1.00 0.58 H new ATOM 0 HG21 ILE A 100 5.087 -6.666 -2.398 1.00 0.60 H new ATOM 0 HG22 ILE A 100 6.329 -7.570 -3.296 1.00 0.60 H new ATOM 0 HG23 ILE A 100 4.608 -7.962 -3.520 1.00 0.60 H new ATOM 0 HD11 ILE A 100 2.859 -7.585 0.398 1.00 0.69 H new ATOM 0 HD12 ILE A 100 4.603 -7.318 0.629 1.00 0.69 H new ATOM 0 HD13 ILE A 100 3.774 -6.610 -0.777 1.00 0.69 H new ATOM 1488 N SER A 101 7.232 -10.006 -4.178 1.00 0.84 N ATOM 1489 CA SER A 101 8.478 -9.932 -4.926 1.00 1.02 C ATOM 1490 C SER A 101 8.231 -9.188 -6.227 1.00 0.95 C ATOM 1491 O SER A 101 7.197 -8.536 -6.384 1.00 0.85 O ATOM 1492 CB SER A 101 9.010 -11.342 -5.204 1.00 1.14 C ATOM 1493 OG SER A 101 7.994 -12.188 -5.713 1.00 1.12 O ATOM 0 H SER A 101 6.397 -10.073 -4.760 1.00 0.84 H new ATOM 0 HA SER A 101 9.226 -9.396 -4.342 1.00 1.02 H new ATOM 0 HB2 SER A 101 9.832 -11.288 -5.918 1.00 1.14 H new ATOM 0 HB3 SER A 101 9.413 -11.768 -4.285 1.00 1.14 H new ATOM 0 HG SER A 101 8.365 -13.079 -5.882 1.00 1.12 H new ATOM 1499 N ALA A 102 9.156 -9.312 -7.179 1.00 1.01 N ATOM 1500 CA ALA A 102 9.020 -8.673 -8.485 1.00 0.98 C ATOM 1501 C ALA A 102 7.996 -9.430 -9.343 1.00 0.86 C ATOM 1502 O ALA A 102 7.949 -9.313 -10.565 1.00 1.30 O ATOM 1503 CB ALA A 102 10.373 -8.618 -9.179 1.00 1.09 C ATOM 0 H ALA A 102 10.013 -9.854 -7.067 1.00 1.01 H new ATOM 0 HA ALA A 102 8.660 -7.653 -8.348 1.00 0.98 H new ATOM 0 HB1 ALA A 102 10.263 -8.140 -10.152 1.00 1.09 H new ATOM 0 HB2 ALA A 102 11.071 -8.044 -8.570 1.00 1.09 H new ATOM 0 HB3 ALA A 102 10.755 -9.630 -9.313 1.00 1.09 H new ATOM 1509 N ALA A 103 7.179 -10.186 -8.636 1.00 0.56 N ATOM 1510 CA ALA A 103 6.137 -10.996 -9.230 1.00 0.66 C ATOM 1511 C ALA A 103 4.849 -10.202 -9.364 1.00 0.52 C ATOM 1512 O ALA A 103 4.558 -9.639 -10.419 1.00 0.57 O ATOM 1513 CB ALA A 103 5.909 -12.252 -8.406 1.00 0.93 C ATOM 0 H ALA A 103 7.222 -10.255 -7.619 1.00 0.56 H new ATOM 0 HA ALA A 103 6.458 -11.291 -10.229 1.00 0.66 H new ATOM 0 HB1 ALA A 103 5.123 -12.851 -8.865 1.00 0.93 H new ATOM 0 HB2 ALA A 103 6.830 -12.833 -8.365 1.00 0.93 H new ATOM 0 HB3 ALA A 103 5.610 -11.975 -7.395 1.00 0.93 H new ATOM 1519 N GLU A 104 4.103 -10.125 -8.274 1.00 0.45 N ATOM 1520 CA GLU A 104 2.836 -9.420 -8.272 1.00 0.42 C ATOM 1521 C GLU A 104 3.023 -7.914 -8.135 1.00 0.43 C ATOM 1522 O GLU A 104 2.134 -7.147 -8.506 1.00 0.46 O ATOM 1523 CB GLU A 104 1.956 -9.936 -7.144 1.00 0.51 C ATOM 1524 CG GLU A 104 1.973 -11.443 -7.009 1.00 0.49 C ATOM 1525 CD GLU A 104 2.383 -11.889 -5.626 1.00 0.60 C ATOM 1526 OE1 GLU A 104 3.595 -12.033 -5.360 1.00 0.78 O ATOM 1527 OE2 GLU A 104 1.500 -12.120 -4.785 1.00 0.83 O ATOM 0 H GLU A 104 4.355 -10.544 -7.379 1.00 0.45 H new ATOM 0 HA GLU A 104 2.353 -9.608 -9.231 1.00 0.42 H new ATOM 0 HB2 GLU A 104 2.284 -9.491 -6.205 1.00 0.51 H new ATOM 0 HB3 GLU A 104 0.931 -9.605 -7.313 1.00 0.51 H new ATOM 0 HG2 GLU A 104 0.983 -11.837 -7.237 1.00 0.49 H new ATOM 0 HG3 GLU A 104 2.660 -11.864 -7.743 1.00 0.49 H new ATOM 1534 N LEU A 105 4.174 -7.488 -7.613 1.00 0.43 N ATOM 1535 CA LEU A 105 4.439 -6.065 -7.442 1.00 0.47 C ATOM 1536 C LEU A 105 4.405 -5.359 -8.786 1.00 0.48 C ATOM 1537 O LEU A 105 3.809 -4.291 -8.924 1.00 0.50 O ATOM 1538 CB LEU A 105 5.796 -5.839 -6.771 1.00 0.50 C ATOM 1539 CG LEU A 105 6.050 -4.416 -6.272 1.00 0.55 C ATOM 1540 CD1 LEU A 105 5.121 -4.076 -5.114 1.00 0.61 C ATOM 1541 CD2 LEU A 105 7.499 -4.247 -5.857 1.00 0.63 C ATOM 0 H LEU A 105 4.928 -8.102 -7.305 1.00 0.43 H new ATOM 0 HA LEU A 105 3.662 -5.651 -6.800 1.00 0.47 H new ATOM 0 HB2 LEU A 105 5.884 -6.523 -5.927 1.00 0.50 H new ATOM 0 HB3 LEU A 105 6.581 -6.104 -7.479 1.00 0.50 H new ATOM 0 HG LEU A 105 5.843 -3.727 -7.091 1.00 0.55 H new ATOM 0 HD11 LEU A 105 5.319 -3.059 -4.775 1.00 0.61 H new ATOM 0 HD12 LEU A 105 4.085 -4.153 -5.444 1.00 0.61 H new ATOM 0 HD13 LEU A 105 5.293 -4.772 -4.293 1.00 0.61 H new ATOM 0 HD21 LEU A 105 7.660 -3.228 -5.505 1.00 0.63 H new ATOM 0 HD22 LEU A 105 7.732 -4.949 -5.056 1.00 0.63 H new ATOM 0 HD23 LEU A 105 8.147 -4.442 -6.711 1.00 0.63 H new ATOM 1553 N ARG A 106 5.031 -5.978 -9.781 1.00 0.49 N ATOM 1554 CA ARG A 106 5.070 -5.421 -11.129 1.00 0.52 C ATOM 1555 C ARG A 106 3.662 -5.350 -11.711 1.00 0.53 C ATOM 1556 O ARG A 106 3.323 -4.421 -12.450 1.00 0.59 O ATOM 1557 CB ARG A 106 5.953 -6.277 -12.034 1.00 0.56 C ATOM 1558 CG ARG A 106 6.207 -5.650 -13.396 1.00 0.82 C ATOM 1559 CD ARG A 106 6.514 -6.698 -14.454 1.00 0.84 C ATOM 1560 NE ARG A 106 7.844 -7.279 -14.285 1.00 0.72 N ATOM 1561 CZ ARG A 106 8.080 -8.480 -13.756 1.00 0.86 C ATOM 1562 NH1 ARG A 106 7.077 -9.246 -13.338 1.00 1.18 N ATOM 1563 NH2 ARG A 106 9.329 -8.912 -13.655 1.00 0.90 N ATOM 0 H ARG A 106 5.519 -6.868 -9.679 1.00 0.49 H new ATOM 0 HA ARG A 106 5.487 -4.416 -11.072 1.00 0.52 H new ATOM 0 HB2 ARG A 106 6.908 -6.451 -11.538 1.00 0.56 H new ATOM 0 HB3 ARG A 106 5.483 -7.251 -12.172 1.00 0.56 H new ATOM 0 HG2 ARG A 106 5.333 -5.073 -13.699 1.00 0.82 H new ATOM 0 HG3 ARG A 106 7.041 -4.951 -13.324 1.00 0.82 H new ATOM 0 HD2 ARG A 106 5.765 -7.489 -14.408 1.00 0.84 H new ATOM 0 HD3 ARG A 106 6.440 -6.246 -15.443 1.00 0.84 H new ATOM 0 HE ARG A 106 8.646 -6.729 -14.592 1.00 0.72 H new ATOM 0 HH11 ARG A 106 6.115 -8.917 -13.420 1.00 1.18 H new ATOM 0 HH12 ARG A 106 7.269 -10.163 -12.935 1.00 1.18 H new ATOM 0 HH21 ARG A 106 10.099 -8.327 -13.980 1.00 0.90 H new ATOM 0 HH22 ARG A 106 9.520 -9.829 -13.252 1.00 0.90 H new ATOM 1577 N HIS A 107 2.846 -6.336 -11.361 1.00 0.52 N ATOM 1578 CA HIS A 107 1.479 -6.409 -11.841 1.00 0.54 C ATOM 1579 C HIS A 107 0.674 -5.222 -11.326 1.00 0.54 C ATOM 1580 O HIS A 107 0.060 -4.494 -12.105 1.00 0.59 O ATOM 1581 CB HIS A 107 0.830 -7.730 -11.403 1.00 0.58 C ATOM 1582 CG HIS A 107 -0.543 -7.967 -11.966 1.00 0.62 C ATOM 1583 ND1 HIS A 107 -0.724 -8.637 -13.153 1.00 0.80 N ATOM 1584 CD2 HIS A 107 -1.758 -7.629 -11.459 1.00 0.60 C ATOM 1585 CE1 HIS A 107 -2.031 -8.695 -13.341 1.00 0.83 C ATOM 1586 NE2 HIS A 107 -2.698 -8.100 -12.341 1.00 0.70 N ATOM 0 H HIS A 107 3.114 -7.100 -10.741 1.00 0.52 H new ATOM 0 HA HIS A 107 1.489 -6.374 -12.930 1.00 0.54 H new ATOM 0 HB2 HIS A 107 1.478 -8.555 -11.700 1.00 0.58 H new ATOM 0 HB3 HIS A 107 0.771 -7.748 -10.315 1.00 0.58 H new ATOM 0 HD2 HIS A 107 -1.947 -7.094 -10.540 1.00 0.60 H new ATOM 0 HE1 HIS A 107 -2.503 -9.163 -14.193 1.00 0.83 H new ATOM 0 HE2 HIS A 107 -3.711 -8.014 -12.253 1.00 0.70 H new ATOM 1594 N VAL A 108 0.707 -5.008 -10.017 1.00 0.49 N ATOM 1595 CA VAL A 108 -0.034 -3.907 -9.411 1.00 0.49 C ATOM 1596 C VAL A 108 0.516 -2.550 -9.844 1.00 0.49 C ATOM 1597 O VAL A 108 -0.252 -1.665 -10.219 1.00 0.52 O ATOM 1598 CB VAL A 108 -0.032 -3.979 -7.867 1.00 0.50 C ATOM 1599 CG1 VAL A 108 -0.883 -2.862 -7.285 1.00 0.53 C ATOM 1600 CG2 VAL A 108 -0.538 -5.335 -7.392 1.00 0.53 C ATOM 0 H VAL A 108 1.236 -5.578 -9.357 1.00 0.49 H new ATOM 0 HA VAL A 108 -1.060 -4.010 -9.765 1.00 0.49 H new ATOM 0 HB VAL A 108 0.993 -3.854 -7.518 1.00 0.50 H new ATOM 0 HG11 VAL A 108 -0.872 -2.926 -6.197 1.00 0.53 H new ATOM 0 HG12 VAL A 108 -0.481 -1.898 -7.596 1.00 0.53 H new ATOM 0 HG13 VAL A 108 -1.907 -2.960 -7.644 1.00 0.53 H new ATOM 0 HG21 VAL A 108 -0.529 -5.365 -6.302 1.00 0.53 H new ATOM 0 HG22 VAL A 108 -1.556 -5.490 -7.751 1.00 0.53 H new ATOM 0 HG23 VAL A 108 0.108 -6.121 -7.782 1.00 0.53 H new ATOM 1610 N MET A 109 1.842 -2.390 -9.803 1.00 0.47 N ATOM 1611 CA MET A 109 2.481 -1.126 -10.182 1.00 0.49 C ATOM 1612 C MET A 109 2.032 -0.655 -11.564 1.00 0.50 C ATOM 1613 O MET A 109 1.762 0.528 -11.764 1.00 0.52 O ATOM 1614 CB MET A 109 4.001 -1.263 -10.157 1.00 0.50 C ATOM 1615 CG MET A 109 4.661 -0.551 -8.979 1.00 0.62 C ATOM 1616 SD MET A 109 4.464 -1.438 -7.416 1.00 0.80 S ATOM 1617 CE MET A 109 2.984 -0.680 -6.749 1.00 0.86 C ATOM 0 H MET A 109 2.493 -3.119 -9.512 1.00 0.47 H new ATOM 0 HA MET A 109 2.172 -0.379 -9.451 1.00 0.49 H new ATOM 0 HB2 MET A 109 4.261 -2.321 -10.123 1.00 0.50 H new ATOM 0 HB3 MET A 109 4.408 -0.864 -11.086 1.00 0.50 H new ATOM 0 HG2 MET A 109 5.723 -0.425 -9.187 1.00 0.62 H new ATOM 0 HG3 MET A 109 4.235 0.447 -8.880 1.00 0.62 H new ATOM 0 HE1 MET A 109 2.921 -0.884 -5.680 1.00 0.86 H new ATOM 0 HE2 MET A 109 3.022 0.397 -6.912 1.00 0.86 H new ATOM 0 HE3 MET A 109 2.107 -1.092 -7.249 1.00 0.86 H new ATOM 1627 N THR A 110 1.936 -1.582 -12.508 1.00 0.50 N ATOM 1628 CA THR A 110 1.518 -1.242 -13.858 1.00 0.54 C ATOM 1629 C THR A 110 -0.002 -1.085 -13.951 1.00 0.53 C ATOM 1630 O THR A 110 -0.503 -0.315 -14.768 1.00 0.54 O ATOM 1631 CB THR A 110 1.994 -2.302 -14.868 1.00 0.58 C ATOM 1632 OG1 THR A 110 3.352 -2.668 -14.583 1.00 0.59 O ATOM 1633 CG2 THR A 110 1.896 -1.778 -16.294 1.00 0.67 C ATOM 0 H THR A 110 2.141 -2.571 -12.363 1.00 0.50 H new ATOM 0 HA THR A 110 1.980 -0.286 -14.105 1.00 0.54 H new ATOM 0 HB THR A 110 1.350 -3.176 -14.776 1.00 0.58 H new ATOM 0 HG1 THR A 110 3.372 -3.278 -13.816 1.00 0.59 H new ATOM 0 HG21 THR A 110 2.238 -2.546 -16.988 1.00 0.67 H new ATOM 0 HG22 THR A 110 0.860 -1.522 -16.517 1.00 0.67 H new ATOM 0 HG23 THR A 110 2.519 -0.890 -16.399 1.00 0.67 H new ATOM 1641 N ASN A 111 -0.729 -1.797 -13.093 1.00 0.53 N ATOM 1642 CA ASN A 111 -2.193 -1.734 -13.082 1.00 0.56 C ATOM 1643 C ASN A 111 -2.689 -0.372 -12.601 1.00 0.55 C ATOM 1644 O ASN A 111 -3.703 0.131 -13.077 1.00 0.58 O ATOM 1645 CB ASN A 111 -2.776 -2.839 -12.197 1.00 0.58 C ATOM 1646 CG ASN A 111 -3.370 -3.981 -13.002 1.00 0.65 C ATOM 1647 OD1 ASN A 111 -4.575 -4.022 -13.251 1.00 0.86 O ATOM 1648 ND2 ASN A 111 -2.529 -4.914 -13.419 1.00 0.88 N ATOM 0 H ASN A 111 -0.330 -2.425 -12.395 1.00 0.53 H new ATOM 0 HA ASN A 111 -2.533 -1.881 -14.107 1.00 0.56 H new ATOM 0 HB2 ASN A 111 -1.994 -3.228 -11.545 1.00 0.58 H new ATOM 0 HB3 ASN A 111 -3.546 -2.415 -11.553 1.00 0.58 H new ATOM 0 HD21 ASN A 111 -2.873 -5.702 -13.967 1.00 0.88 H new ATOM 0 HD22 ASN A 111 -1.537 -4.845 -13.192 1.00 0.88 H new ATOM 1655 N LEU A 112 -1.966 0.219 -11.656 1.00 0.54 N ATOM 1656 CA LEU A 112 -2.324 1.528 -11.111 1.00 0.57 C ATOM 1657 C LEU A 112 -2.154 2.614 -12.167 1.00 0.61 C ATOM 1658 O LEU A 112 -2.755 3.681 -12.077 1.00 0.68 O ATOM 1659 CB LEU A 112 -1.457 1.863 -9.889 1.00 0.59 C ATOM 1660 CG LEU A 112 -1.613 0.926 -8.686 1.00 0.58 C ATOM 1661 CD1 LEU A 112 -0.582 1.256 -7.622 1.00 0.93 C ATOM 1662 CD2 LEU A 112 -3.016 1.018 -8.101 1.00 0.63 C ATOM 0 H LEU A 112 -1.124 -0.188 -11.248 1.00 0.54 H new ATOM 0 HA LEU A 112 -3.369 1.488 -10.805 1.00 0.57 H new ATOM 0 HB2 LEU A 112 -0.411 1.859 -10.196 1.00 0.59 H new ATOM 0 HB3 LEU A 112 -1.691 2.878 -9.568 1.00 0.59 H new ATOM 0 HG LEU A 112 -1.452 -0.095 -9.031 1.00 0.58 H new ATOM 0 HD11 LEU A 112 -0.706 0.582 -6.774 1.00 0.93 H new ATOM 0 HD12 LEU A 112 0.419 1.138 -8.036 1.00 0.93 H new ATOM 0 HD13 LEU A 112 -0.718 2.285 -7.290 1.00 0.93 H new ATOM 0 HD21 LEU A 112 -3.100 0.343 -7.249 1.00 0.63 H new ATOM 0 HD22 LEU A 112 -3.208 2.040 -7.775 1.00 0.63 H new ATOM 0 HD23 LEU A 112 -3.746 0.736 -8.860 1.00 0.63 H new ATOM 1674 N GLY A 113 -1.333 2.325 -13.172 1.00 0.67 N ATOM 1675 CA GLY A 113 -1.091 3.276 -14.235 1.00 0.75 C ATOM 1676 C GLY A 113 0.033 4.231 -13.903 1.00 0.77 C ATOM 1677 O GLY A 113 0.071 5.354 -14.409 1.00 0.89 O ATOM 0 H GLY A 113 -0.830 1.443 -13.267 1.00 0.67 H new ATOM 0 HA2 GLY A 113 -0.850 2.739 -15.152 1.00 0.75 H new ATOM 0 HA3 GLY A 113 -2.002 3.843 -14.427 1.00 0.75 H new ATOM 1681 N GLU A 114 0.958 3.789 -13.062 1.00 0.72 N ATOM 1682 CA GLU A 114 2.072 4.628 -12.665 1.00 0.79 C ATOM 1683 C GLU A 114 3.236 4.503 -13.636 1.00 0.79 C ATOM 1684 O GLU A 114 3.219 3.672 -14.548 1.00 0.83 O ATOM 1685 CB GLU A 114 2.525 4.296 -11.246 1.00 0.84 C ATOM 1686 CG GLU A 114 2.185 5.392 -10.248 1.00 0.95 C ATOM 1687 CD GLU A 114 2.823 6.720 -10.612 1.00 1.07 C ATOM 1688 OE1 GLU A 114 4.063 6.818 -10.543 1.00 1.61 O ATOM 1689 OE2 GLU A 114 2.095 7.664 -10.974 1.00 1.55 O ATOM 0 H GLU A 114 0.956 2.858 -12.645 1.00 0.72 H new ATOM 0 HA GLU A 114 1.726 5.661 -12.686 1.00 0.79 H new ATOM 0 HB2 GLU A 114 2.057 3.364 -10.929 1.00 0.84 H new ATOM 0 HB3 GLU A 114 3.602 4.129 -11.243 1.00 0.84 H new ATOM 0 HG2 GLU A 114 1.103 5.513 -10.199 1.00 0.95 H new ATOM 0 HG3 GLU A 114 2.518 5.092 -9.254 1.00 0.95 H new ATOM 1696 N LYS A 115 4.248 5.327 -13.428 1.00 0.77 N ATOM 1697 CA LYS A 115 5.412 5.343 -14.298 1.00 0.80 C ATOM 1698 C LYS A 115 6.565 4.548 -13.694 1.00 0.82 C ATOM 1699 O LYS A 115 7.503 5.121 -13.142 1.00 1.18 O ATOM 1700 CB LYS A 115 5.861 6.787 -14.570 1.00 0.84 C ATOM 1701 CG LYS A 115 4.723 7.772 -14.825 1.00 0.91 C ATOM 1702 CD LYS A 115 4.205 8.388 -13.532 1.00 1.07 C ATOM 1703 CE LYS A 115 2.906 9.158 -13.741 1.00 1.17 C ATOM 1704 NZ LYS A 115 2.428 9.784 -12.475 1.00 1.02 N ATOM 0 H LYS A 115 4.287 5.997 -12.660 1.00 0.77 H new ATOM 0 HA LYS A 115 5.127 4.874 -15.240 1.00 0.80 H new ATOM 0 HB2 LYS A 115 6.443 7.138 -13.718 1.00 0.84 H new ATOM 0 HB3 LYS A 115 6.526 6.790 -15.434 1.00 0.84 H new ATOM 0 HG2 LYS A 115 5.069 8.563 -15.491 1.00 0.91 H new ATOM 0 HG3 LYS A 115 3.907 7.260 -15.336 1.00 0.91 H new ATOM 0 HD2 LYS A 115 4.044 7.601 -12.795 1.00 1.07 H new ATOM 0 HD3 LYS A 115 4.961 9.058 -13.123 1.00 1.07 H new ATOM 0 HE2 LYS A 115 3.058 9.931 -14.495 1.00 1.17 H new ATOM 0 HE3 LYS A 115 2.141 8.484 -14.125 1.00 1.17 H new ATOM 0 HZ1 LYS A 115 1.501 10.227 -12.635 1.00 1.02 H new ATOM 0 HZ2 LYS A 115 2.341 9.055 -11.739 1.00 1.02 H new ATOM 0 HZ3 LYS A 115 3.109 10.507 -12.167 1.00 1.02 H new ATOM 1718 N LEU A 116 6.478 3.223 -13.778 1.00 0.64 N ATOM 1719 CA LEU A 116 7.531 2.353 -13.265 1.00 0.65 C ATOM 1720 C LEU A 116 7.854 1.273 -14.287 1.00 0.65 C ATOM 1721 O LEU A 116 6.961 0.575 -14.775 1.00 0.68 O ATOM 1722 CB LEU A 116 7.135 1.695 -11.933 1.00 0.70 C ATOM 1723 CG LEU A 116 7.223 2.595 -10.697 1.00 0.93 C ATOM 1724 CD1 LEU A 116 5.863 3.180 -10.366 1.00 1.27 C ATOM 1725 CD2 LEU A 116 7.780 1.828 -9.503 1.00 0.93 C ATOM 0 H LEU A 116 5.690 2.729 -14.196 1.00 0.64 H new ATOM 0 HA LEU A 116 8.409 2.973 -13.085 1.00 0.65 H new ATOM 0 HB2 LEU A 116 6.113 1.327 -12.020 1.00 0.70 H new ATOM 0 HB3 LEU A 116 7.774 0.826 -11.774 1.00 0.70 H new ATOM 0 HG LEU A 116 7.906 3.414 -10.923 1.00 0.93 H new ATOM 0 HD11 LEU A 116 5.945 3.817 -9.485 1.00 1.27 H new ATOM 0 HD12 LEU A 116 5.506 3.772 -11.209 1.00 1.27 H new ATOM 0 HD13 LEU A 116 5.159 2.373 -10.166 1.00 1.27 H new ATOM 0 HD21 LEU A 116 7.833 2.489 -8.638 1.00 0.93 H new ATOM 0 HD22 LEU A 116 7.128 0.985 -9.276 1.00 0.93 H new ATOM 0 HD23 LEU A 116 8.779 1.461 -9.740 1.00 0.93 H new ATOM 1737 N THR A 117 9.120 1.156 -14.634 1.00 0.70 N ATOM 1738 CA THR A 117 9.560 0.155 -15.589 1.00 0.73 C ATOM 1739 C THR A 117 10.021 -1.101 -14.857 1.00 0.71 C ATOM 1740 O THR A 117 10.050 -1.116 -13.628 1.00 0.69 O ATOM 1741 CB THR A 117 10.716 0.707 -16.447 1.00 0.81 C ATOM 1742 OG1 THR A 117 11.224 1.910 -15.853 1.00 0.93 O ATOM 1743 CG2 THR A 117 10.245 0.991 -17.865 1.00 1.04 C ATOM 0 H THR A 117 9.867 1.745 -14.267 1.00 0.70 H new ATOM 0 HA THR A 117 8.722 -0.096 -16.239 1.00 0.73 H new ATOM 0 HB THR A 117 11.507 -0.041 -16.490 1.00 0.81 H new ATOM 0 HG1 THR A 117 11.960 2.259 -16.398 1.00 0.93 H new ATOM 0 HG21 THR A 117 11.076 1.380 -18.453 1.00 1.04 H new ATOM 0 HG22 THR A 117 9.879 0.070 -18.318 1.00 1.04 H new ATOM 0 HG23 THR A 117 9.442 1.727 -17.841 1.00 1.04 H new ATOM 1751 N ASP A 118 10.383 -2.144 -15.600 1.00 0.73 N ATOM 1752 CA ASP A 118 10.863 -3.391 -14.989 1.00 0.74 C ATOM 1753 C ASP A 118 12.086 -3.081 -14.132 1.00 0.73 C ATOM 1754 O ASP A 118 12.267 -3.635 -13.046 1.00 0.74 O ATOM 1755 CB ASP A 118 11.216 -4.423 -16.067 1.00 0.79 C ATOM 1756 CG ASP A 118 11.223 -5.852 -15.547 1.00 0.97 C ATOM 1757 OD1 ASP A 118 10.136 -6.396 -15.252 1.00 1.20 O ATOM 1758 OD2 ASP A 118 12.314 -6.452 -15.466 1.00 1.38 O ATOM 0 H ASP A 118 10.355 -2.156 -16.620 1.00 0.73 H new ATOM 0 HA ASP A 118 10.075 -3.815 -14.367 1.00 0.74 H new ATOM 0 HB2 ASP A 118 10.500 -4.344 -16.885 1.00 0.79 H new ATOM 0 HB3 ASP A 118 12.197 -4.188 -16.479 1.00 0.79 H new ATOM 1763 N GLU A 119 12.907 -2.158 -14.632 1.00 0.72 N ATOM 1764 CA GLU A 119 14.099 -1.715 -13.926 1.00 0.73 C ATOM 1765 C GLU A 119 13.713 -0.937 -12.666 1.00 0.70 C ATOM 1766 O GLU A 119 14.371 -1.037 -11.633 1.00 0.71 O ATOM 1767 CB GLU A 119 14.955 -0.831 -14.834 1.00 0.78 C ATOM 1768 CG GLU A 119 16.417 -0.789 -14.428 1.00 1.15 C ATOM 1769 CD GLU A 119 17.070 -2.155 -14.517 1.00 1.69 C ATOM 1770 OE1 GLU A 119 17.240 -2.668 -15.646 1.00 2.18 O ATOM 1771 OE2 GLU A 119 17.404 -2.736 -13.467 1.00 2.33 O ATOM 0 H GLU A 119 12.762 -1.701 -15.533 1.00 0.72 H new ATOM 0 HA GLU A 119 14.675 -2.595 -13.638 1.00 0.73 H new ATOM 0 HB2 GLU A 119 14.880 -1.195 -15.859 1.00 0.78 H new ATOM 0 HB3 GLU A 119 14.554 0.182 -14.826 1.00 0.78 H new ATOM 0 HG2 GLU A 119 16.952 -0.089 -15.070 1.00 1.15 H new ATOM 0 HG3 GLU A 119 16.500 -0.413 -13.408 1.00 1.15 H new ATOM 1778 N GLU A 120 12.620 -0.186 -12.748 1.00 0.70 N ATOM 1779 CA GLU A 120 12.153 0.616 -11.610 1.00 0.69 C ATOM 1780 C GLU A 120 11.623 -0.294 -10.512 1.00 0.67 C ATOM 1781 O GLU A 120 11.880 -0.072 -9.331 1.00 0.68 O ATOM 1782 CB GLU A 120 11.060 1.609 -12.030 1.00 0.72 C ATOM 1783 CG GLU A 120 11.591 2.914 -12.600 1.00 0.85 C ATOM 1784 CD GLU A 120 11.674 4.019 -11.561 1.00 1.09 C ATOM 1785 OE1 GLU A 120 10.632 4.386 -10.983 1.00 1.33 O ATOM 1786 OE2 GLU A 120 12.784 4.532 -11.320 1.00 1.86 O ATOM 0 H GLU A 120 12.040 -0.112 -13.584 1.00 0.70 H new ATOM 0 HA GLU A 120 13.003 1.186 -11.236 1.00 0.69 H new ATOM 0 HB2 GLU A 120 10.420 1.134 -12.774 1.00 0.72 H new ATOM 0 HB3 GLU A 120 10.434 1.831 -11.165 1.00 0.72 H new ATOM 0 HG2 GLU A 120 12.581 2.744 -13.023 1.00 0.85 H new ATOM 0 HG3 GLU A 120 10.946 3.237 -13.417 1.00 0.85 H new ATOM 1793 N VAL A 121 10.890 -1.330 -10.915 1.00 0.66 N ATOM 1794 CA VAL A 121 10.332 -2.284 -9.968 1.00 0.66 C ATOM 1795 C VAL A 121 11.447 -2.943 -9.162 1.00 0.64 C ATOM 1796 O VAL A 121 11.343 -3.096 -7.948 1.00 0.63 O ATOM 1797 CB VAL A 121 9.502 -3.373 -10.689 1.00 0.70 C ATOM 1798 CG1 VAL A 121 9.036 -4.440 -9.709 1.00 0.71 C ATOM 1799 CG2 VAL A 121 8.315 -2.749 -11.402 1.00 0.76 C ATOM 0 H VAL A 121 10.671 -1.527 -11.891 1.00 0.66 H new ATOM 0 HA VAL A 121 9.672 -1.735 -9.296 1.00 0.66 H new ATOM 0 HB VAL A 121 10.141 -3.852 -11.431 1.00 0.70 H new ATOM 0 HG11 VAL A 121 8.455 -5.193 -10.241 1.00 0.71 H new ATOM 0 HG12 VAL A 121 9.902 -4.911 -9.245 1.00 0.71 H new ATOM 0 HG13 VAL A 121 8.416 -3.981 -8.939 1.00 0.71 H new ATOM 0 HG21 VAL A 121 7.741 -3.528 -11.904 1.00 0.76 H new ATOM 0 HG22 VAL A 121 7.680 -2.242 -10.676 1.00 0.76 H new ATOM 0 HG23 VAL A 121 8.671 -2.029 -12.139 1.00 0.76 H new ATOM 1809 N ASP A 122 12.526 -3.299 -9.847 1.00 0.65 N ATOM 1810 CA ASP A 122 13.668 -3.936 -9.203 1.00 0.66 C ATOM 1811 C ASP A 122 14.426 -2.947 -8.327 1.00 0.65 C ATOM 1812 O ASP A 122 14.922 -3.305 -7.262 1.00 0.66 O ATOM 1813 CB ASP A 122 14.616 -4.515 -10.251 1.00 0.71 C ATOM 1814 CG ASP A 122 15.913 -4.998 -9.638 1.00 0.81 C ATOM 1815 OD1 ASP A 122 15.960 -6.152 -9.175 1.00 0.89 O ATOM 1816 OD2 ASP A 122 16.892 -4.225 -9.612 1.00 0.96 O ATOM 0 H ASP A 122 12.635 -3.157 -10.851 1.00 0.65 H new ATOM 0 HA ASP A 122 13.287 -4.741 -8.574 1.00 0.66 H new ATOM 0 HB2 ASP A 122 14.127 -5.343 -10.764 1.00 0.71 H new ATOM 0 HB3 ASP A 122 14.831 -3.756 -11.004 1.00 0.71 H new ATOM 1821 N GLU A 123 14.519 -1.707 -8.790 1.00 0.66 N ATOM 1822 CA GLU A 123 15.218 -0.664 -8.053 1.00 0.68 C ATOM 1823 C GLU A 123 14.518 -0.368 -6.729 1.00 0.66 C ATOM 1824 O GLU A 123 15.169 -0.264 -5.689 1.00 0.66 O ATOM 1825 CB GLU A 123 15.323 0.611 -8.897 1.00 0.75 C ATOM 1826 CG GLU A 123 16.340 1.610 -8.361 1.00 0.86 C ATOM 1827 CD GLU A 123 17.757 1.270 -8.777 1.00 0.91 C ATOM 1828 OE1 GLU A 123 18.295 0.245 -8.305 1.00 1.13 O ATOM 1829 OE2 GLU A 123 18.338 2.028 -9.577 1.00 1.20 O ATOM 0 H GLU A 123 14.117 -1.399 -9.676 1.00 0.66 H new ATOM 0 HA GLU A 123 16.224 -1.022 -7.834 1.00 0.68 H new ATOM 0 HB2 GLU A 123 15.594 0.341 -9.918 1.00 0.75 H new ATOM 0 HB3 GLU A 123 14.345 1.089 -8.943 1.00 0.75 H new ATOM 0 HG2 GLU A 123 16.089 2.608 -8.719 1.00 0.86 H new ATOM 0 HG3 GLU A 123 16.280 1.637 -7.273 1.00 0.86 H new ATOM 1836 N MET A 124 13.195 -0.256 -6.765 1.00 0.67 N ATOM 1837 CA MET A 124 12.426 0.027 -5.557 1.00 0.69 C ATOM 1838 C MET A 124 12.374 -1.199 -4.650 1.00 0.69 C ATOM 1839 O MET A 124 12.501 -1.086 -3.440 1.00 0.76 O ATOM 1840 CB MET A 124 10.992 0.468 -5.899 1.00 0.72 C ATOM 1841 CG MET A 124 10.148 0.759 -4.657 1.00 0.64 C ATOM 1842 SD MET A 124 8.493 1.385 -5.039 1.00 0.61 S ATOM 1843 CE MET A 124 7.632 0.920 -3.536 1.00 0.68 C ATOM 0 H MET A 124 12.635 -0.356 -7.611 1.00 0.67 H new ATOM 0 HA MET A 124 12.929 0.841 -5.035 1.00 0.69 H new ATOM 0 HB2 MET A 124 11.031 1.361 -6.523 1.00 0.72 H new ATOM 0 HB3 MET A 124 10.508 -0.312 -6.487 1.00 0.72 H new ATOM 0 HG2 MET A 124 10.056 -0.154 -4.068 1.00 0.64 H new ATOM 0 HG3 MET A 124 10.669 1.488 -4.036 1.00 0.64 H new ATOM 0 HE1 MET A 124 6.691 1.467 -3.472 1.00 0.68 H new ATOM 0 HE2 MET A 124 7.429 -0.151 -3.549 1.00 0.68 H new ATOM 0 HE3 MET A 124 8.252 1.161 -2.672 1.00 0.68 H new ATOM 1853 N ILE A 125 12.232 -2.371 -5.265 1.00 0.65 N ATOM 1854 CA ILE A 125 12.121 -3.643 -4.546 1.00 0.68 C ATOM 1855 C ILE A 125 13.266 -3.877 -3.540 1.00 0.66 C ATOM 1856 O ILE A 125 13.138 -4.688 -2.624 1.00 0.64 O ATOM 1857 CB ILE A 125 12.027 -4.815 -5.563 1.00 0.71 C ATOM 1858 CG1 ILE A 125 10.896 -5.780 -5.190 1.00 0.71 C ATOM 1859 CG2 ILE A 125 13.349 -5.560 -5.696 1.00 0.90 C ATOM 1860 CD1 ILE A 125 11.272 -6.784 -4.125 1.00 0.92 C ATOM 0 H ILE A 125 12.190 -2.468 -6.280 1.00 0.65 H new ATOM 0 HA ILE A 125 11.208 -3.598 -3.953 1.00 0.68 H new ATOM 0 HB ILE A 125 11.799 -4.378 -6.535 1.00 0.71 H new ATOM 0 HG12 ILE A 125 10.039 -5.203 -4.844 1.00 0.71 H new ATOM 0 HG13 ILE A 125 10.579 -6.316 -6.085 1.00 0.71 H new ATOM 0 HG21 ILE A 125 13.239 -6.371 -6.416 1.00 0.90 H new ATOM 0 HG22 ILE A 125 14.121 -4.872 -6.039 1.00 0.90 H new ATOM 0 HG23 ILE A 125 13.634 -5.971 -4.728 1.00 0.90 H new ATOM 0 HD11 ILE A 125 10.419 -7.430 -3.917 1.00 0.92 H new ATOM 0 HD12 ILE A 125 12.109 -7.389 -4.474 1.00 0.92 H new ATOM 0 HD13 ILE A 125 11.560 -6.258 -3.215 1.00 0.92 H new ATOM 1872 N ARG A 126 14.368 -3.152 -3.686 1.00 0.73 N ATOM 1873 CA ARG A 126 15.503 -3.312 -2.782 1.00 0.77 C ATOM 1874 C ARG A 126 15.450 -2.302 -1.633 1.00 0.77 C ATOM 1875 O ARG A 126 16.445 -2.087 -0.939 1.00 0.87 O ATOM 1876 CB ARG A 126 16.819 -3.186 -3.558 1.00 0.81 C ATOM 1877 CG ARG A 126 17.456 -4.534 -3.882 1.00 0.93 C ATOM 1878 CD ARG A 126 18.617 -4.400 -4.859 1.00 0.94 C ATOM 1879 NE ARG A 126 18.175 -3.955 -6.180 1.00 0.90 N ATOM 1880 CZ ARG A 126 18.314 -2.711 -6.636 1.00 0.83 C ATOM 1881 NH1 ARG A 126 18.939 -1.793 -5.906 1.00 0.81 N ATOM 1882 NH2 ARG A 126 17.852 -2.389 -7.835 1.00 0.89 N ATOM 0 H ARG A 126 14.501 -2.452 -4.416 1.00 0.73 H new ATOM 0 HA ARG A 126 15.449 -4.308 -2.343 1.00 0.77 H new ATOM 0 HB2 ARG A 126 16.636 -2.645 -4.487 1.00 0.81 H new ATOM 0 HB3 ARG A 126 17.521 -2.590 -2.975 1.00 0.81 H new ATOM 0 HG2 ARG A 126 17.810 -4.998 -2.961 1.00 0.93 H new ATOM 0 HG3 ARG A 126 16.702 -5.198 -4.305 1.00 0.93 H new ATOM 0 HD2 ARG A 126 19.344 -3.691 -4.463 1.00 0.94 H new ATOM 0 HD3 ARG A 126 19.125 -5.360 -4.951 1.00 0.94 H new ATOM 0 HE ARG A 126 17.732 -4.641 -6.791 1.00 0.90 H new ATOM 0 HH11 ARG A 126 19.316 -2.039 -4.991 1.00 0.81 H new ATOM 0 HH12 ARG A 126 19.042 -0.842 -6.261 1.00 0.81 H new ATOM 0 HH21 ARG A 126 17.390 -3.094 -8.410 1.00 0.89 H new ATOM 0 HH22 ARG A 126 17.959 -1.436 -8.184 1.00 0.89 H new ATOM 1896 N GLU A 127 14.288 -1.684 -1.434 1.00 0.76 N ATOM 1897 CA GLU A 127 14.117 -0.716 -0.358 1.00 0.77 C ATOM 1898 C GLU A 127 13.905 -1.453 0.964 1.00 0.74 C ATOM 1899 O GLU A 127 14.449 -1.068 2.002 1.00 0.75 O ATOM 1900 CB GLU A 127 12.959 0.261 -0.659 1.00 0.88 C ATOM 1901 CG GLU A 127 11.603 -0.130 -0.084 1.00 0.97 C ATOM 1902 CD GLU A 127 10.817 -1.062 -0.981 1.00 1.39 C ATOM 1903 OE1 GLU A 127 11.115 -2.275 -0.981 1.00 2.04 O ATOM 1904 OE2 GLU A 127 9.903 -0.586 -1.677 1.00 1.87 O ATOM 0 H GLU A 127 13.455 -1.837 -2.002 1.00 0.76 H new ATOM 0 HA GLU A 127 15.022 -0.113 -0.278 1.00 0.77 H new ATOM 0 HB2 GLU A 127 13.227 1.245 -0.273 1.00 0.88 H new ATOM 0 HB3 GLU A 127 12.861 0.358 -1.740 1.00 0.88 H new ATOM 0 HG2 GLU A 127 11.751 -0.608 0.884 1.00 0.97 H new ATOM 0 HG3 GLU A 127 11.017 0.772 0.093 1.00 0.97 H new ATOM 1911 N ALA A 128 13.123 -2.524 0.913 1.00 0.78 N ATOM 1912 CA ALA A 128 12.857 -3.335 2.092 1.00 0.82 C ATOM 1913 C ALA A 128 13.620 -4.652 2.029 1.00 0.74 C ATOM 1914 O ALA A 128 13.851 -5.294 3.054 1.00 0.76 O ATOM 1915 CB ALA A 128 11.368 -3.590 2.238 1.00 0.96 C ATOM 0 H ALA A 128 12.661 -2.851 0.064 1.00 0.78 H new ATOM 0 HA ALA A 128 13.202 -2.784 2.967 1.00 0.82 H new ATOM 0 HB1 ALA A 128 11.188 -4.198 3.125 1.00 0.96 H new ATOM 0 HB2 ALA A 128 10.844 -2.639 2.337 1.00 0.96 H new ATOM 0 HB3 ALA A 128 11.001 -4.116 1.357 1.00 0.96 H new ATOM 1921 N ASP A 129 14.014 -5.046 0.818 1.00 0.71 N ATOM 1922 CA ASP A 129 14.756 -6.290 0.612 1.00 0.68 C ATOM 1923 C ASP A 129 16.169 -6.165 1.170 1.00 0.71 C ATOM 1924 O ASP A 129 17.092 -5.735 0.476 1.00 0.78 O ATOM 1925 CB ASP A 129 14.801 -6.647 -0.875 1.00 0.69 C ATOM 1926 CG ASP A 129 15.031 -8.124 -1.111 1.00 0.71 C ATOM 1927 OD1 ASP A 129 14.181 -8.939 -0.686 1.00 0.87 O ATOM 1928 OD2 ASP A 129 16.055 -8.484 -1.722 1.00 0.76 O ATOM 0 H ASP A 129 13.831 -4.520 -0.037 1.00 0.71 H new ATOM 0 HA ASP A 129 14.242 -7.090 1.144 1.00 0.68 H new ATOM 0 HB2 ASP A 129 13.864 -6.349 -1.345 1.00 0.69 H new ATOM 0 HB3 ASP A 129 15.595 -6.077 -1.358 1.00 0.69 H new ATOM 1933 N ILE A 130 16.321 -6.544 2.432 1.00 0.74 N ATOM 1934 CA ILE A 130 17.605 -6.458 3.118 1.00 0.81 C ATOM 1935 C ILE A 130 18.447 -7.693 2.866 1.00 0.84 C ATOM 1936 O ILE A 130 19.678 -7.625 2.803 1.00 0.92 O ATOM 1937 CB ILE A 130 17.406 -6.299 4.647 1.00 0.88 C ATOM 1938 CG1 ILE A 130 16.556 -5.061 4.955 1.00 0.86 C ATOM 1939 CG2 ILE A 130 18.745 -6.219 5.366 1.00 1.01 C ATOM 1940 CD1 ILE A 130 17.123 -3.777 4.386 1.00 0.88 C ATOM 0 H ILE A 130 15.565 -6.917 3.006 1.00 0.74 H new ATOM 0 HA ILE A 130 18.120 -5.583 2.721 1.00 0.81 H new ATOM 0 HB ILE A 130 16.878 -7.180 5.011 1.00 0.88 H new ATOM 0 HG12 ILE A 130 15.552 -5.212 4.558 1.00 0.86 H new ATOM 0 HG13 ILE A 130 16.459 -4.957 6.036 1.00 0.86 H new ATOM 0 HG21 ILE A 130 18.577 -6.108 6.437 1.00 1.01 H new ATOM 0 HG22 ILE A 130 19.313 -7.131 5.181 1.00 1.01 H new ATOM 0 HG23 ILE A 130 19.306 -5.361 4.996 1.00 1.01 H new ATOM 0 HD11 ILE A 130 16.468 -2.944 4.644 1.00 0.88 H new ATOM 0 HD12 ILE A 130 18.115 -3.601 4.802 1.00 0.88 H new ATOM 0 HD13 ILE A 130 17.194 -3.860 3.301 1.00 0.88 H new ATOM 1952 N ASP A 131 17.780 -8.821 2.710 1.00 0.83 N ATOM 1953 CA ASP A 131 18.468 -10.084 2.490 1.00 0.87 C ATOM 1954 C ASP A 131 19.110 -10.128 1.102 1.00 0.89 C ATOM 1955 O ASP A 131 20.127 -10.799 0.899 1.00 0.98 O ATOM 1956 CB ASP A 131 17.513 -11.271 2.700 1.00 0.88 C ATOM 1957 CG ASP A 131 16.198 -11.124 1.964 1.00 0.84 C ATOM 1958 OD1 ASP A 131 16.140 -10.400 0.956 1.00 1.02 O ATOM 1959 OD2 ASP A 131 15.189 -11.713 2.398 1.00 0.88 O ATOM 0 H ASP A 131 16.763 -8.891 2.731 1.00 0.83 H new ATOM 0 HA ASP A 131 19.268 -10.164 3.225 1.00 0.87 H new ATOM 0 HB2 ASP A 131 18.005 -12.186 2.370 1.00 0.88 H new ATOM 0 HB3 ASP A 131 17.314 -11.383 3.766 1.00 0.88 H new ATOM 1964 N GLY A 132 18.525 -9.402 0.154 1.00 0.87 N ATOM 1965 CA GLY A 132 19.059 -9.369 -1.194 1.00 0.92 C ATOM 1966 C GLY A 132 18.625 -10.578 -1.983 1.00 0.92 C ATOM 1967 O GLY A 132 19.410 -11.162 -2.732 1.00 0.94 O ATOM 0 H GLY A 132 17.689 -8.835 0.297 1.00 0.87 H new ATOM 0 HA2 GLY A 132 18.724 -8.463 -1.699 1.00 0.92 H new ATOM 0 HA3 GLY A 132 20.148 -9.328 -1.156 1.00 0.92 H new ATOM 1971 N ASP A 133 17.369 -10.951 -1.814 1.00 0.94 N ATOM 1972 CA ASP A 133 16.821 -12.111 -2.490 1.00 0.94 C ATOM 1973 C ASP A 133 15.756 -11.708 -3.513 1.00 0.89 C ATOM 1974 O ASP A 133 15.348 -12.523 -4.351 1.00 0.95 O ATOM 1975 CB ASP A 133 16.270 -13.096 -1.450 1.00 0.91 C ATOM 1976 CG ASP A 133 14.778 -12.974 -1.215 1.00 0.84 C ATOM 1977 OD1 ASP A 133 14.323 -11.925 -0.700 1.00 0.79 O ATOM 1978 OD2 ASP A 133 14.055 -13.942 -1.518 1.00 0.95 O ATOM 0 H ASP A 133 16.707 -10.463 -1.211 1.00 0.94 H new ATOM 0 HA ASP A 133 17.616 -12.606 -3.048 1.00 0.94 H new ATOM 0 HB2 ASP A 133 16.495 -14.113 -1.773 1.00 0.91 H new ATOM 0 HB3 ASP A 133 16.790 -12.939 -0.505 1.00 0.91 H new ATOM 1983 N GLY A 134 15.327 -10.446 -3.459 1.00 0.84 N ATOM 1984 CA GLY A 134 14.336 -9.946 -4.398 1.00 0.84 C ATOM 1985 C GLY A 134 12.904 -10.191 -3.960 1.00 0.74 C ATOM 1986 O GLY A 134 11.975 -10.059 -4.762 1.00 0.78 O ATOM 0 H GLY A 134 15.651 -9.760 -2.778 1.00 0.84 H new ATOM 0 HA2 GLY A 134 14.486 -8.875 -4.536 1.00 0.84 H new ATOM 0 HA3 GLY A 134 14.496 -10.418 -5.367 1.00 0.84 H new ATOM 1990 N GLN A 135 12.714 -10.552 -2.700 1.00 0.69 N ATOM 1991 CA GLN A 135 11.375 -10.804 -2.174 1.00 0.65 C ATOM 1992 C GLN A 135 11.157 -10.063 -0.867 1.00 0.63 C ATOM 1993 O GLN A 135 11.717 -10.444 0.156 1.00 0.73 O ATOM 1994 CB GLN A 135 11.152 -12.293 -1.905 1.00 0.68 C ATOM 1995 CG GLN A 135 11.396 -13.208 -3.086 1.00 0.77 C ATOM 1996 CD GLN A 135 11.019 -14.636 -2.770 1.00 0.88 C ATOM 1997 OE1 GLN A 135 9.897 -15.070 -3.018 1.00 1.26 O ATOM 1998 NE2 GLN A 135 11.943 -15.371 -2.191 1.00 1.23 N ATOM 0 H GLN A 135 13.466 -10.678 -2.022 1.00 0.69 H new ATOM 0 HA GLN A 135 10.673 -10.454 -2.931 1.00 0.65 H new ATOM 0 HB2 GLN A 135 11.805 -12.599 -1.088 1.00 0.68 H new ATOM 0 HB3 GLN A 135 10.127 -12.434 -1.563 1.00 0.68 H new ATOM 0 HG2 GLN A 135 10.819 -12.860 -3.942 1.00 0.77 H new ATOM 0 HG3 GLN A 135 12.447 -13.163 -3.371 1.00 0.77 H new ATOM 0 HE21 GLN A 135 12.864 -14.976 -2.001 1.00 1.23 H new ATOM 0 HE22 GLN A 135 11.739 -16.336 -1.932 1.00 1.23 H new ATOM 2007 N VAL A 136 10.352 -9.015 -0.898 1.00 0.60 N ATOM 2008 CA VAL A 136 10.042 -8.256 0.304 1.00 0.59 C ATOM 2009 C VAL A 136 9.034 -9.043 1.138 1.00 0.58 C ATOM 2010 O VAL A 136 7.849 -9.111 0.799 1.00 0.61 O ATOM 2011 CB VAL A 136 9.461 -6.859 -0.032 1.00 0.60 C ATOM 2012 CG1 VAL A 136 8.948 -6.156 1.215 1.00 0.59 C ATOM 2013 CG2 VAL A 136 10.502 -5.998 -0.732 1.00 0.69 C ATOM 0 H VAL A 136 9.900 -8.669 -1.744 1.00 0.60 H new ATOM 0 HA VAL A 136 10.966 -8.103 0.862 1.00 0.59 H new ATOM 0 HB VAL A 136 8.617 -7.007 -0.706 1.00 0.60 H new ATOM 0 HG11 VAL A 136 8.548 -5.179 0.943 1.00 0.59 H new ATOM 0 HG12 VAL A 136 8.162 -6.756 1.673 1.00 0.59 H new ATOM 0 HG13 VAL A 136 9.767 -6.028 1.923 1.00 0.59 H new ATOM 0 HG21 VAL A 136 10.074 -5.022 -0.959 1.00 0.69 H new ATOM 0 HG22 VAL A 136 11.367 -5.872 -0.081 1.00 0.69 H new ATOM 0 HG23 VAL A 136 10.812 -6.482 -1.658 1.00 0.69 H new ATOM 2023 N ASN A 137 9.509 -9.676 2.201 1.00 0.58 N ATOM 2024 CA ASN A 137 8.629 -10.461 3.053 1.00 0.59 C ATOM 2025 C ASN A 137 7.909 -9.557 4.054 1.00 0.59 C ATOM 2026 O ASN A 137 8.120 -8.343 4.070 1.00 0.59 O ATOM 2027 CB ASN A 137 9.399 -11.592 3.760 1.00 0.61 C ATOM 2028 CG ASN A 137 10.481 -11.115 4.715 1.00 0.63 C ATOM 2029 OD1 ASN A 137 10.280 -10.201 5.500 1.00 0.97 O ATOM 2030 ND2 ASN A 137 11.642 -11.745 4.664 1.00 0.86 N ATOM 0 H ASN A 137 10.487 -9.662 2.491 1.00 0.58 H new ATOM 0 HA ASN A 137 7.874 -10.933 2.424 1.00 0.59 H new ATOM 0 HB2 ASN A 137 8.689 -12.207 4.313 1.00 0.61 H new ATOM 0 HB3 ASN A 137 9.855 -12.232 3.004 1.00 0.61 H new ATOM 0 HD21 ASN A 137 12.399 -11.471 5.291 1.00 0.86 H new ATOM 0 HD22 ASN A 137 11.781 -12.505 3.998 1.00 0.86 H new ATOM 2037 N TYR A 138 7.066 -10.160 4.883 1.00 0.61 N ATOM 2038 CA TYR A 138 6.286 -9.432 5.879 1.00 0.63 C ATOM 2039 C TYR A 138 7.186 -8.615 6.801 1.00 0.63 C ATOM 2040 O TYR A 138 6.932 -7.439 7.043 1.00 0.65 O ATOM 2041 CB TYR A 138 5.465 -10.421 6.702 1.00 0.67 C ATOM 2042 CG TYR A 138 4.176 -9.847 7.253 1.00 0.72 C ATOM 2043 CD1 TYR A 138 3.021 -9.829 6.482 1.00 0.90 C ATOM 2044 CD2 TYR A 138 4.113 -9.334 8.539 1.00 0.89 C ATOM 2045 CE1 TYR A 138 1.840 -9.310 6.977 1.00 1.10 C ATOM 2046 CE2 TYR A 138 2.937 -8.812 9.044 1.00 1.04 C ATOM 2047 CZ TYR A 138 1.804 -8.804 8.260 1.00 1.10 C ATOM 2048 OH TYR A 138 0.631 -8.285 8.759 1.00 1.35 O ATOM 0 H TYR A 138 6.903 -11.167 4.885 1.00 0.61 H new ATOM 0 HA TYR A 138 5.623 -8.741 5.358 1.00 0.63 H new ATOM 0 HB2 TYR A 138 5.229 -11.286 6.082 1.00 0.67 H new ATOM 0 HB3 TYR A 138 6.074 -10.780 7.532 1.00 0.67 H new ATOM 0 HD1 TYR A 138 3.046 -10.227 5.479 1.00 0.90 H new ATOM 0 HD2 TYR A 138 4.998 -9.342 9.157 1.00 0.89 H new ATOM 0 HE1 TYR A 138 0.951 -9.300 6.364 1.00 1.10 H new ATOM 0 HE2 TYR A 138 2.906 -8.413 10.047 1.00 1.04 H new ATOM 0 HH TYR A 138 0.776 -7.972 9.676 1.00 1.35 H new ATOM 2058 N GLU A 139 8.253 -9.236 7.277 1.00 0.64 N ATOM 2059 CA GLU A 139 9.196 -8.587 8.175 1.00 0.66 C ATOM 2060 C GLU A 139 9.871 -7.403 7.492 1.00 0.62 C ATOM 2061 O GLU A 139 9.971 -6.317 8.057 1.00 0.60 O ATOM 2062 CB GLU A 139 10.242 -9.612 8.618 1.00 0.72 C ATOM 2063 CG GLU A 139 11.230 -9.093 9.644 1.00 1.39 C ATOM 2064 CD GLU A 139 10.619 -8.963 11.018 1.00 1.99 C ATOM 2065 OE1 GLU A 139 9.891 -9.887 11.436 1.00 2.60 O ATOM 2066 OE2 GLU A 139 10.873 -7.946 11.691 1.00 2.39 O ATOM 0 H GLU A 139 8.490 -10.202 7.053 1.00 0.64 H new ATOM 0 HA GLU A 139 8.660 -8.207 9.044 1.00 0.66 H new ATOM 0 HB2 GLU A 139 9.730 -10.481 9.031 1.00 0.72 H new ATOM 0 HB3 GLU A 139 10.792 -9.954 7.741 1.00 0.72 H new ATOM 0 HG2 GLU A 139 12.086 -9.766 9.692 1.00 1.39 H new ATOM 0 HG3 GLU A 139 11.606 -8.121 9.323 1.00 1.39 H new ATOM 2073 N GLU A 140 10.319 -7.621 6.267 1.00 0.61 N ATOM 2074 CA GLU A 140 10.979 -6.579 5.496 1.00 0.59 C ATOM 2075 C GLU A 140 10.003 -5.448 5.204 1.00 0.55 C ATOM 2076 O GLU A 140 10.360 -4.271 5.280 1.00 0.55 O ATOM 2077 CB GLU A 140 11.543 -7.153 4.188 1.00 0.60 C ATOM 2078 CG GLU A 140 12.694 -8.131 4.403 1.00 0.63 C ATOM 2079 CD GLU A 140 13.118 -8.844 3.132 1.00 0.62 C ATOM 2080 OE1 GLU A 140 12.315 -9.616 2.577 1.00 0.63 O ATOM 2081 OE2 GLU A 140 14.266 -8.658 2.681 1.00 0.66 O ATOM 0 H GLU A 140 10.237 -8.515 5.782 1.00 0.61 H new ATOM 0 HA GLU A 140 11.809 -6.183 6.082 1.00 0.59 H new ATOM 0 HB2 GLU A 140 10.743 -7.658 3.647 1.00 0.60 H new ATOM 0 HB3 GLU A 140 11.886 -6.332 3.558 1.00 0.60 H new ATOM 0 HG2 GLU A 140 13.549 -7.592 4.812 1.00 0.63 H new ATOM 0 HG3 GLU A 140 12.399 -8.872 5.146 1.00 0.63 H new ATOM 2088 N PHE A 141 8.762 -5.819 4.910 1.00 0.55 N ATOM 2089 CA PHE A 141 7.717 -4.857 4.602 1.00 0.54 C ATOM 2090 C PHE A 141 7.348 -4.020 5.830 1.00 0.55 C ATOM 2091 O PHE A 141 7.286 -2.793 5.759 1.00 0.56 O ATOM 2092 CB PHE A 141 6.483 -5.587 4.066 1.00 0.62 C ATOM 2093 CG PHE A 141 5.410 -4.669 3.555 1.00 0.62 C ATOM 2094 CD1 PHE A 141 5.632 -3.879 2.435 1.00 0.59 C ATOM 2095 CD2 PHE A 141 4.181 -4.597 4.190 1.00 0.80 C ATOM 2096 CE1 PHE A 141 4.647 -3.039 1.959 1.00 0.68 C ATOM 2097 CE2 PHE A 141 3.193 -3.754 3.715 1.00 0.88 C ATOM 2098 CZ PHE A 141 3.426 -2.975 2.600 1.00 0.79 C ATOM 0 H PHE A 141 8.455 -6.791 4.879 1.00 0.55 H new ATOM 0 HA PHE A 141 8.094 -4.176 3.839 1.00 0.54 H new ATOM 0 HB2 PHE A 141 6.789 -6.256 3.262 1.00 0.62 H new ATOM 0 HB3 PHE A 141 6.068 -6.210 4.858 1.00 0.62 H new ATOM 0 HD1 PHE A 141 6.586 -3.923 1.931 1.00 0.59 H new ATOM 0 HD2 PHE A 141 3.993 -5.204 5.063 1.00 0.80 H new ATOM 0 HE1 PHE A 141 4.831 -2.432 1.085 1.00 0.68 H new ATOM 0 HE2 PHE A 141 2.238 -3.705 4.217 1.00 0.88 H new ATOM 0 HZ PHE A 141 2.654 -2.316 2.229 1.00 0.79 H new ATOM 2108 N VAL A 142 7.128 -4.692 6.958 1.00 0.57 N ATOM 2109 CA VAL A 142 6.746 -4.018 8.200 1.00 0.60 C ATOM 2110 C VAL A 142 7.832 -3.045 8.673 1.00 0.59 C ATOM 2111 O VAL A 142 7.539 -1.923 9.091 1.00 0.58 O ATOM 2112 CB VAL A 142 6.434 -5.036 9.320 1.00 0.65 C ATOM 2113 CG1 VAL A 142 6.309 -4.346 10.669 1.00 0.70 C ATOM 2114 CG2 VAL A 142 5.158 -5.800 9.001 1.00 0.66 C ATOM 0 H VAL A 142 7.208 -5.706 7.039 1.00 0.57 H new ATOM 0 HA VAL A 142 5.843 -3.448 7.982 1.00 0.60 H new ATOM 0 HB VAL A 142 7.264 -5.740 9.374 1.00 0.65 H new ATOM 0 HG11 VAL A 142 6.089 -5.087 11.438 1.00 0.70 H new ATOM 0 HG12 VAL A 142 7.245 -3.842 10.908 1.00 0.70 H new ATOM 0 HG13 VAL A 142 5.503 -3.614 10.630 1.00 0.70 H new ATOM 0 HG21 VAL A 142 4.952 -6.513 9.799 1.00 0.66 H new ATOM 0 HG22 VAL A 142 4.327 -5.100 8.916 1.00 0.66 H new ATOM 0 HG23 VAL A 142 5.280 -6.335 8.059 1.00 0.66 H new ATOM 2124 N GLN A 143 9.082 -3.471 8.571 1.00 0.61 N ATOM 2125 CA GLN A 143 10.222 -2.651 8.986 1.00 0.62 C ATOM 2126 C GLN A 143 10.391 -1.419 8.102 1.00 0.59 C ATOM 2127 O GLN A 143 11.139 -0.501 8.442 1.00 0.69 O ATOM 2128 CB GLN A 143 11.494 -3.482 8.917 1.00 0.72 C ATOM 2129 CG GLN A 143 11.736 -4.344 10.140 1.00 1.03 C ATOM 2130 CD GLN A 143 12.948 -5.235 9.974 1.00 1.17 C ATOM 2131 OE1 GLN A 143 13.751 -5.400 10.893 1.00 1.50 O ATOM 2132 NE2 GLN A 143 13.084 -5.829 8.798 1.00 1.47 N ATOM 0 H GLN A 143 9.339 -4.387 8.202 1.00 0.61 H new ATOM 0 HA GLN A 143 10.033 -2.315 10.006 1.00 0.62 H new ATOM 0 HB2 GLN A 143 11.449 -4.123 8.037 1.00 0.72 H new ATOM 0 HB3 GLN A 143 12.345 -2.814 8.782 1.00 0.72 H new ATOM 0 HG2 GLN A 143 11.872 -3.705 11.013 1.00 1.03 H new ATOM 0 HG3 GLN A 143 10.857 -4.959 10.330 1.00 1.03 H new ATOM 0 HE21 GLN A 143 12.397 -5.666 8.062 1.00 1.47 H new ATOM 0 HE22 GLN A 143 13.876 -6.449 8.628 1.00 1.47 H new ATOM 2141 N MET A 144 9.695 -1.403 6.978 1.00 0.57 N ATOM 2142 CA MET A 144 9.793 -0.300 6.037 1.00 0.62 C ATOM 2143 C MET A 144 8.515 0.537 6.013 1.00 0.62 C ATOM 2144 O MET A 144 8.571 1.756 5.884 1.00 0.70 O ATOM 2145 CB MET A 144 10.084 -0.857 4.642 1.00 0.72 C ATOM 2146 CG MET A 144 11.182 -0.120 3.883 1.00 0.84 C ATOM 2147 SD MET A 144 10.631 1.454 3.191 1.00 0.89 S ATOM 2148 CE MET A 144 9.215 0.929 2.222 1.00 0.88 C ATOM 0 H MET A 144 9.054 -2.144 6.694 1.00 0.57 H new ATOM 0 HA MET A 144 10.605 0.354 6.355 1.00 0.62 H new ATOM 0 HB2 MET A 144 10.365 -1.906 4.735 1.00 0.72 H new ATOM 0 HB3 MET A 144 9.167 -0.824 4.053 1.00 0.72 H new ATOM 0 HG2 MET A 144 12.022 0.059 4.554 1.00 0.84 H new ATOM 0 HG3 MET A 144 11.548 -0.756 3.077 1.00 0.84 H new ATOM 0 HE1 MET A 144 8.986 1.686 1.472 1.00 0.88 H new ATOM 0 HE2 MET A 144 9.443 -0.015 1.726 1.00 0.88 H new ATOM 0 HE3 MET A 144 8.355 0.796 2.878 1.00 0.88 H new ATOM 2158 N MET A 145 7.365 -0.116 6.146 1.00 0.62 N ATOM 2159 CA MET A 145 6.090 0.593 6.105 1.00 0.70 C ATOM 2160 C MET A 145 5.739 1.219 7.452 1.00 0.69 C ATOM 2161 O MET A 145 5.226 2.339 7.503 1.00 0.74 O ATOM 2162 CB MET A 145 4.961 -0.336 5.650 1.00 0.81 C ATOM 2163 CG MET A 145 4.368 0.032 4.292 1.00 1.05 C ATOM 2164 SD MET A 145 2.584 0.272 4.342 1.00 0.94 S ATOM 2165 CE MET A 145 2.451 1.493 5.646 1.00 1.47 C ATOM 0 H MET A 145 7.289 -1.124 6.282 1.00 0.62 H new ATOM 0 HA MET A 145 6.201 1.399 5.380 1.00 0.70 H new ATOM 0 HB2 MET A 145 5.339 -1.357 5.606 1.00 0.81 H new ATOM 0 HB3 MET A 145 4.168 -0.322 6.398 1.00 0.81 H new ATOM 0 HG2 MET A 145 4.841 0.945 3.931 1.00 1.05 H new ATOM 0 HG3 MET A 145 4.603 -0.754 3.575 1.00 1.05 H new ATOM 0 HE1 MET A 145 1.623 2.168 5.429 1.00 1.47 H new ATOM 0 HE2 MET A 145 2.271 0.992 6.597 1.00 1.47 H new ATOM 0 HE3 MET A 145 3.378 2.064 5.706 1.00 1.47 H new ATOM 2175 N THR A 146 6.013 0.507 8.537 1.00 0.68 N ATOM 2176 CA THR A 146 5.703 1.003 9.877 1.00 0.74 C ATOM 2177 C THR A 146 6.938 1.597 10.564 1.00 0.81 C ATOM 2178 O THR A 146 6.834 2.247 11.603 1.00 0.94 O ATOM 2179 CB THR A 146 5.121 -0.124 10.749 1.00 0.89 C ATOM 2180 OG1 THR A 146 4.259 -0.948 9.952 1.00 0.93 O ATOM 2181 CG2 THR A 146 4.341 0.436 11.930 1.00 1.07 C ATOM 0 H THR A 146 6.449 -0.415 8.519 1.00 0.68 H new ATOM 0 HA THR A 146 4.963 1.795 9.763 1.00 0.74 H new ATOM 0 HB THR A 146 5.949 -0.716 11.139 1.00 0.89 H new ATOM 0 HG1 THR A 146 3.337 -0.626 10.028 1.00 0.93 H new ATOM 0 HG21 THR A 146 3.943 -0.386 12.526 1.00 1.07 H new ATOM 0 HG22 THR A 146 5.002 1.045 12.547 1.00 1.07 H new ATOM 0 HG23 THR A 146 3.518 1.050 11.564 1.00 1.07 H new ATOM 2189 N ALA A 147 8.104 1.386 9.972 1.00 0.91 N ATOM 2190 CA ALA A 147 9.349 1.901 10.535 1.00 1.05 C ATOM 2191 C ALA A 147 10.206 2.541 9.453 1.00 1.22 C ATOM 2192 O ALA A 147 9.707 3.313 8.633 1.00 1.28 O ATOM 2193 CB ALA A 147 10.117 0.788 11.238 1.00 1.33 C ATOM 0 H ALA A 147 8.217 0.863 9.104 1.00 0.91 H new ATOM 0 HA ALA A 147 9.101 2.667 11.270 1.00 1.05 H new ATOM 0 HB1 ALA A 147 11.042 1.189 11.652 1.00 1.33 H new ATOM 0 HB2 ALA A 147 9.507 0.378 12.043 1.00 1.33 H new ATOM 0 HB3 ALA A 147 10.351 -0.000 10.523 1.00 1.33 H new TER 2199 ALA A 147 ATOM 2200 N MET B 1 -10.804 -1.552 0.899 1.00 1.22 N ATOM 2201 CA MET B 1 -9.317 -1.598 0.821 1.00 0.87 C ATOM 2202 C MET B 1 -8.819 -0.704 -0.301 1.00 0.74 C ATOM 2203 O MET B 1 -8.176 0.316 -0.066 1.00 0.83 O ATOM 2204 CB MET B 1 -8.842 -3.026 0.548 1.00 1.06 C ATOM 2205 CG MET B 1 -8.639 -3.873 1.796 1.00 1.77 C ATOM 2206 SD MET B 1 -10.013 -3.739 2.961 1.00 2.30 S ATOM 2207 CE MET B 1 -9.411 -4.716 4.343 1.00 2.55 C ATOM 0 H1 MET B 1 -11.141 -2.300 1.538 1.00 1.22 H new ATOM 0 H2 MET B 1 -11.104 -0.625 1.263 1.00 1.22 H new ATOM 0 H3 MET B 1 -11.206 -1.699 -0.049 1.00 1.22 H new ATOM 0 HA MET B 1 -8.920 -1.252 1.775 1.00 0.87 H new ATOM 0 HB2 MET B 1 -9.569 -3.520 -0.097 1.00 1.06 H new ATOM 0 HB3 MET B 1 -7.903 -2.984 -0.004 1.00 1.06 H new ATOM 0 HG2 MET B 1 -8.515 -4.916 1.506 1.00 1.77 H new ATOM 0 HG3 MET B 1 -7.717 -3.568 2.291 1.00 1.77 H new ATOM 0 HE1 MET B 1 -10.233 -5.293 4.766 1.00 2.55 H new ATOM 0 HE2 MET B 1 -8.632 -5.395 3.997 1.00 2.55 H new ATOM 0 HE3 MET B 1 -9.003 -4.054 5.106 1.00 2.55 H new ATOM 2219 N ASP B 2 -9.273 -1.060 -1.491 1.00 0.76 N ATOM 2220 CA ASP B 2 -8.951 -0.418 -2.774 1.00 0.78 C ATOM 2221 C ASP B 2 -8.320 0.995 -2.700 1.00 0.70 C ATOM 2222 O ASP B 2 -7.100 1.133 -2.832 1.00 0.70 O ATOM 2223 CB ASP B 2 -10.319 -0.242 -3.451 1.00 0.98 C ATOM 2224 CG ASP B 2 -11.417 -0.050 -2.397 1.00 1.25 C ATOM 2225 OD1 ASP B 2 -11.985 -1.065 -1.926 1.00 1.67 O ATOM 2226 OD2 ASP B 2 -11.648 1.103 -1.975 1.00 1.88 O ATOM 0 H ASP B 2 -9.912 -1.847 -1.604 1.00 0.76 H new ATOM 0 HA ASP B 2 -8.212 -1.039 -3.279 1.00 0.78 H new ATOM 0 HB2 ASP B 2 -10.293 0.619 -4.119 1.00 0.98 H new ATOM 0 HB3 ASP B 2 -10.543 -1.115 -4.064 1.00 0.98 H new ATOM 2231 N CYS B 3 -9.107 2.035 -2.445 1.00 0.64 N ATOM 2232 CA CYS B 3 -8.567 3.397 -2.408 1.00 0.57 C ATOM 2233 C CYS B 3 -7.537 3.600 -1.292 1.00 0.57 C ATOM 2234 O CYS B 3 -6.510 4.253 -1.495 1.00 0.59 O ATOM 2235 CB CYS B 3 -9.703 4.416 -2.311 1.00 0.51 C ATOM 2236 SG CYS B 3 -10.793 4.479 -3.766 1.00 0.42 S ATOM 0 H CYS B 3 -10.108 1.967 -2.263 1.00 0.64 H new ATOM 0 HA CYS B 3 -8.031 3.556 -3.344 1.00 0.57 H new ATOM 0 HB2 CYS B 3 -10.305 4.186 -1.432 1.00 0.51 H new ATOM 0 HB3 CYS B 3 -9.273 5.405 -2.153 1.00 0.51 H new ATOM 0 HG CYS B 3 -10.077 4.406 -4.848 1.00 0.42 H new ATOM 2242 N LEU B 4 -7.781 3.007 -0.146 1.00 0.59 N ATOM 2243 CA LEU B 4 -6.873 3.135 0.998 1.00 0.61 C ATOM 2244 C LEU B 4 -5.567 2.384 0.765 1.00 0.57 C ATOM 2245 O LEU B 4 -4.509 2.845 1.183 1.00 0.56 O ATOM 2246 CB LEU B 4 -7.572 2.639 2.260 1.00 0.67 C ATOM 2247 CG LEU B 4 -6.890 3.004 3.575 1.00 0.90 C ATOM 2248 CD1 LEU B 4 -6.441 4.461 3.574 1.00 1.09 C ATOM 2249 CD2 LEU B 4 -7.831 2.724 4.735 1.00 1.25 C ATOM 0 H LEU B 4 -8.601 2.427 0.031 1.00 0.59 H new ATOM 0 HA LEU B 4 -6.616 4.187 1.121 1.00 0.61 H new ATOM 0 HB2 LEU B 4 -8.586 3.039 2.274 1.00 0.67 H new ATOM 0 HB3 LEU B 4 -7.658 1.554 2.204 1.00 0.67 H new ATOM 0 HG LEU B 4 -5.998 2.389 3.690 1.00 0.90 H new ATOM 0 HD11 LEU B 4 -5.958 4.694 4.523 1.00 1.09 H new ATOM 0 HD12 LEU B 4 -5.736 4.624 2.759 1.00 1.09 H new ATOM 0 HD13 LEU B 4 -7.307 5.109 3.439 1.00 1.09 H new ATOM 0 HD21 LEU B 4 -7.341 2.986 5.673 1.00 1.25 H new ATOM 0 HD22 LEU B 4 -8.737 3.319 4.621 1.00 1.25 H new ATOM 0 HD23 LEU B 4 -8.091 1.666 4.745 1.00 1.25 H new ATOM 2261 N CYS B 5 -5.624 1.247 0.086 1.00 0.58 N ATOM 2262 CA CYS B 5 -4.408 0.492 -0.197 1.00 0.57 C ATOM 2263 C CYS B 5 -3.553 1.288 -1.170 1.00 0.59 C ATOM 2264 O CYS B 5 -2.330 1.161 -1.181 1.00 0.61 O ATOM 2265 CB CYS B 5 -4.725 -0.916 -0.729 1.00 0.61 C ATOM 2266 SG CYS B 5 -5.134 -1.010 -2.493 1.00 0.60 S ATOM 0 H CYS B 5 -6.483 0.831 -0.275 1.00 0.58 H new ATOM 0 HA CYS B 5 -3.851 0.345 0.728 1.00 0.57 H new ATOM 0 HB2 CYS B 5 -3.866 -1.559 -0.538 1.00 0.61 H new ATOM 0 HB3 CYS B 5 -5.560 -1.322 -0.158 1.00 0.61 H new ATOM 0 HG CYS B 5 -5.697 0.100 -2.868 1.00 0.60 H new ATOM 2272 N ILE B 6 -4.210 2.125 -1.984 1.00 0.59 N ATOM 2273 CA ILE B 6 -3.506 2.994 -2.911 1.00 0.61 C ATOM 2274 C ILE B 6 -2.703 3.990 -2.082 1.00 0.58 C ATOM 2275 O ILE B 6 -1.556 4.304 -2.390 1.00 0.60 O ATOM 2276 CB ILE B 6 -4.498 3.733 -3.857 1.00 0.60 C ATOM 2277 CG1 ILE B 6 -4.576 3.023 -5.224 1.00 0.61 C ATOM 2278 CG2 ILE B 6 -4.130 5.208 -4.026 1.00 0.62 C ATOM 2279 CD1 ILE B 6 -4.860 3.947 -6.384 1.00 0.53 C ATOM 0 H ILE B 6 -5.226 2.212 -2.013 1.00 0.59 H new ATOM 0 HA ILE B 6 -2.846 2.406 -3.549 1.00 0.61 H new ATOM 0 HB ILE B 6 -5.484 3.698 -3.393 1.00 0.60 H new ATOM 0 HG12 ILE B 6 -3.634 2.507 -5.407 1.00 0.61 H new ATOM 0 HG13 ILE B 6 -5.354 2.261 -5.182 1.00 0.61 H new ATOM 0 HG21 ILE B 6 -4.846 5.688 -4.693 1.00 0.62 H new ATOM 0 HG22 ILE B 6 -4.152 5.702 -3.055 1.00 0.62 H new ATOM 0 HG23 ILE B 6 -3.129 5.287 -4.451 1.00 0.62 H new ATOM 0 HD11 ILE B 6 -4.899 3.370 -7.308 1.00 0.53 H new ATOM 0 HD12 ILE B 6 -5.817 4.445 -6.227 1.00 0.53 H new ATOM 0 HD13 ILE B 6 -4.070 4.694 -6.456 1.00 0.53 H new ATOM 2291 N VAL B 7 -3.325 4.452 -1.006 1.00 0.54 N ATOM 2292 CA VAL B 7 -2.700 5.389 -0.079 1.00 0.51 C ATOM 2293 C VAL B 7 -1.520 4.706 0.617 1.00 0.52 C ATOM 2294 O VAL B 7 -0.450 5.302 0.786 1.00 0.57 O ATOM 2295 CB VAL B 7 -3.727 5.915 0.968 1.00 0.48 C ATOM 2296 CG1 VAL B 7 -3.120 7.022 1.820 1.00 0.46 C ATOM 2297 CG2 VAL B 7 -4.986 6.413 0.272 1.00 0.56 C ATOM 0 H VAL B 7 -4.277 4.189 -0.750 1.00 0.54 H new ATOM 0 HA VAL B 7 -2.337 6.249 -0.642 1.00 0.51 H new ATOM 0 HB VAL B 7 -3.993 5.088 1.626 1.00 0.48 H new ATOM 0 HG11 VAL B 7 -3.858 7.371 2.542 1.00 0.46 H new ATOM 0 HG12 VAL B 7 -2.248 6.637 2.349 1.00 0.46 H new ATOM 0 HG13 VAL B 7 -2.819 7.851 1.179 1.00 0.46 H new ATOM 0 HG21 VAL B 7 -5.694 6.777 1.017 1.00 0.56 H new ATOM 0 HG22 VAL B 7 -4.728 7.223 -0.410 1.00 0.56 H new ATOM 0 HG23 VAL B 7 -5.439 5.596 -0.290 1.00 0.56 H new ATOM 2307 N THR B 8 -1.706 3.441 0.990 1.00 0.51 N ATOM 2308 CA THR B 8 -0.647 2.668 1.632 1.00 0.52 C ATOM 2309 C THR B 8 0.494 2.414 0.651 1.00 0.58 C ATOM 2310 O THR B 8 1.668 2.492 1.011 1.00 0.62 O ATOM 2311 CB THR B 8 -1.196 1.329 2.152 1.00 0.53 C ATOM 2312 OG1 THR B 8 -2.532 1.530 2.614 1.00 0.58 O ATOM 2313 CG2 THR B 8 -0.331 0.782 3.285 1.00 0.63 C ATOM 0 H THR B 8 -2.579 2.931 0.858 1.00 0.51 H new ATOM 0 HA THR B 8 -0.267 3.244 2.476 1.00 0.52 H new ATOM 0 HB THR B 8 -1.182 0.601 1.341 1.00 0.53 H new ATOM 0 HG1 THR B 8 -2.832 0.736 3.103 1.00 0.58 H new ATOM 0 HG21 THR B 8 -0.743 -0.165 3.633 1.00 0.63 H new ATOM 0 HG22 THR B 8 0.685 0.625 2.924 1.00 0.63 H new ATOM 0 HG23 THR B 8 -0.317 1.496 4.109 1.00 0.63 H new ATOM 2321 N THR B 9 0.137 2.128 -0.595 1.00 0.63 N ATOM 2322 CA THR B 9 1.113 1.888 -1.648 1.00 0.70 C ATOM 2323 C THR B 9 1.961 3.140 -1.863 1.00 0.73 C ATOM 2324 O THR B 9 3.168 3.066 -2.112 1.00 0.78 O ATOM 2325 CB THR B 9 0.403 1.500 -2.967 1.00 0.75 C ATOM 2326 OG1 THR B 9 -0.382 0.322 -2.767 1.00 0.83 O ATOM 2327 CG2 THR B 9 1.400 1.259 -4.094 1.00 0.71 C ATOM 0 H THR B 9 -0.833 2.056 -0.902 1.00 0.63 H new ATOM 0 HA THR B 9 1.758 1.063 -1.345 1.00 0.70 H new ATOM 0 HB THR B 9 -0.239 2.333 -3.255 1.00 0.75 H new ATOM 0 HG1 THR B 9 -1.259 0.570 -2.407 1.00 0.83 H new ATOM 0 HG21 THR B 9 0.863 0.989 -5.003 1.00 0.71 H new ATOM 0 HG22 THR B 9 1.977 2.167 -4.270 1.00 0.71 H new ATOM 0 HG23 THR B 9 2.074 0.449 -3.816 1.00 0.71 H new ATOM 2335 N LYS B 10 1.320 4.295 -1.728 1.00 0.74 N ATOM 2336 CA LYS B 10 1.993 5.566 -1.890 1.00 0.80 C ATOM 2337 C LYS B 10 2.930 5.803 -0.712 1.00 0.81 C ATOM 2338 O LYS B 10 4.031 6.314 -0.890 1.00 0.87 O ATOM 2339 CB LYS B 10 0.960 6.700 -1.995 1.00 0.82 C ATOM 2340 CG LYS B 10 1.141 7.607 -3.208 1.00 1.07 C ATOM 2341 CD LYS B 10 2.089 8.761 -2.916 1.00 1.51 C ATOM 2342 CE LYS B 10 3.535 8.413 -3.255 1.00 1.88 C ATOM 2343 NZ LYS B 10 4.458 9.552 -2.995 1.00 2.03 N ATOM 0 H LYS B 10 0.328 4.371 -1.505 1.00 0.74 H new ATOM 0 HA LYS B 10 2.580 5.549 -2.808 1.00 0.80 H new ATOM 0 HB2 LYS B 10 -0.038 6.264 -2.029 1.00 0.82 H new ATOM 0 HB3 LYS B 10 1.012 7.307 -1.091 1.00 0.82 H new ATOM 0 HG2 LYS B 10 1.526 7.023 -4.044 1.00 1.07 H new ATOM 0 HG3 LYS B 10 0.172 8.001 -3.514 1.00 1.07 H new ATOM 0 HD2 LYS B 10 1.783 9.636 -3.490 1.00 1.51 H new ATOM 0 HD3 LYS B 10 2.018 9.030 -1.862 1.00 1.51 H new ATOM 0 HE2 LYS B 10 3.848 7.551 -2.666 1.00 1.88 H new ATOM 0 HE3 LYS B 10 3.602 8.124 -4.304 1.00 1.88 H new ATOM 0 HZ1 LYS B 10 5.383 9.187 -2.690 1.00 2.03 H new ATOM 0 HZ2 LYS B 10 4.575 10.109 -3.865 1.00 2.03 H new ATOM 0 HZ3 LYS B 10 4.061 10.157 -2.248 1.00 2.03 H new ATOM 2357 N LYS B 11 2.480 5.444 0.485 1.00 0.77 N ATOM 2358 CA LYS B 11 3.296 5.583 1.689 1.00 0.79 C ATOM 2359 C LYS B 11 4.534 4.710 1.547 1.00 0.82 C ATOM 2360 O LYS B 11 5.657 5.152 1.774 1.00 0.89 O ATOM 2361 CB LYS B 11 2.509 5.150 2.926 1.00 0.74 C ATOM 2362 CG LYS B 11 2.873 5.917 4.190 1.00 0.73 C ATOM 2363 CD LYS B 11 3.457 4.992 5.250 1.00 0.86 C ATOM 2364 CE LYS B 11 3.714 5.731 6.555 1.00 1.02 C ATOM 2365 NZ LYS B 11 4.460 4.892 7.530 1.00 1.32 N ATOM 0 H LYS B 11 1.552 5.053 0.649 1.00 0.77 H new ATOM 0 HA LYS B 11 3.581 6.628 1.808 1.00 0.79 H new ATOM 0 HB2 LYS B 11 1.444 5.277 2.730 1.00 0.74 H new ATOM 0 HB3 LYS B 11 2.677 4.087 3.097 1.00 0.74 H new ATOM 0 HG2 LYS B 11 3.594 6.698 3.949 1.00 0.73 H new ATOM 0 HG3 LYS B 11 1.986 6.413 4.585 1.00 0.73 H new ATOM 0 HD2 LYS B 11 2.772 4.163 5.429 1.00 0.86 H new ATOM 0 HD3 LYS B 11 4.389 4.561 4.885 1.00 0.86 H new ATOM 0 HE2 LYS B 11 4.279 6.641 6.352 1.00 1.02 H new ATOM 0 HE3 LYS B 11 2.764 6.037 6.992 1.00 1.02 H new ATOM 0 HZ1 LYS B 11 3.883 4.757 8.385 1.00 1.32 H new ATOM 0 HZ2 LYS B 11 4.668 3.967 7.104 1.00 1.32 H new ATOM 0 HZ3 LYS B 11 5.351 5.364 7.784 1.00 1.32 H new ATOM 2379 N TYR B 12 4.303 3.466 1.142 1.00 0.78 N ATOM 2380 CA TYR B 12 5.378 2.502 0.939 1.00 0.81 C ATOM 2381 C TYR B 12 6.348 3.005 -0.130 1.00 0.95 C ATOM 2382 O TYR B 12 7.562 2.899 0.022 1.00 1.01 O ATOM 2383 CB TYR B 12 4.790 1.141 0.525 1.00 0.78 C ATOM 2384 CG TYR B 12 5.823 0.042 0.367 1.00 0.80 C ATOM 2385 CD1 TYR B 12 6.410 -0.548 1.484 1.00 0.64 C ATOM 2386 CD2 TYR B 12 6.216 -0.404 -0.889 1.00 1.14 C ATOM 2387 CE1 TYR B 12 7.359 -1.544 1.352 1.00 0.78 C ATOM 2388 CE2 TYR B 12 7.164 -1.402 -1.030 1.00 1.21 C ATOM 2389 CZ TYR B 12 7.734 -1.971 0.092 1.00 1.01 C ATOM 2390 OH TYR B 12 8.676 -2.968 -0.045 1.00 1.17 O ATOM 0 H TYR B 12 3.372 3.099 0.946 1.00 0.78 H new ATOM 0 HA TYR B 12 5.925 2.382 1.874 1.00 0.81 H new ATOM 0 HB2 TYR B 12 4.058 0.832 1.271 1.00 0.78 H new ATOM 0 HB3 TYR B 12 4.255 1.260 -0.417 1.00 0.78 H new ATOM 0 HD1 TYR B 12 6.118 -0.221 2.471 1.00 0.64 H new ATOM 0 HD2 TYR B 12 5.774 0.036 -1.771 1.00 1.14 H new ATOM 0 HE1 TYR B 12 7.806 -1.987 2.230 1.00 0.78 H new ATOM 0 HE2 TYR B 12 7.457 -1.735 -2.015 1.00 1.21 H new ATOM 0 HH TYR B 12 9.035 -2.956 -0.957 1.00 1.17 H new ATOM 2400 N ARG B 13 5.804 3.577 -1.200 1.00 1.05 N ATOM 2401 CA ARG B 13 6.626 4.095 -2.290 1.00 1.20 C ATOM 2402 C ARG B 13 7.250 5.437 -1.921 1.00 1.27 C ATOM 2403 O ARG B 13 8.077 5.972 -2.657 1.00 1.46 O ATOM 2404 CB ARG B 13 5.809 4.234 -3.570 1.00 1.27 C ATOM 2405 CG ARG B 13 6.668 4.146 -4.822 1.00 1.21 C ATOM 2406 CD ARG B 13 5.887 4.523 -6.069 1.00 1.62 C ATOM 2407 NE ARG B 13 6.743 5.104 -7.103 1.00 2.12 N ATOM 2408 CZ ARG B 13 6.289 5.856 -8.103 1.00 2.44 C ATOM 2409 NH1 ARG B 13 4.988 6.091 -8.219 1.00 2.69 N ATOM 2410 NH2 ARG B 13 7.128 6.368 -8.994 1.00 3.10 N ATOM 0 H ARG B 13 4.800 3.694 -1.336 1.00 1.05 H new ATOM 0 HA ARG B 13 7.428 3.378 -2.463 1.00 1.20 H new ATOM 0 HB2 ARG B 13 5.049 3.453 -3.599 1.00 1.27 H new ATOM 0 HB3 ARG B 13 5.284 5.189 -3.560 1.00 1.27 H new ATOM 0 HG2 ARG B 13 7.529 4.806 -4.719 1.00 1.21 H new ATOM 0 HG3 ARG B 13 7.054 3.132 -4.927 1.00 1.21 H new ATOM 0 HD2 ARG B 13 5.391 3.638 -6.466 1.00 1.62 H new ATOM 0 HD3 ARG B 13 5.105 5.235 -5.805 1.00 1.62 H new ATOM 0 HE ARG B 13 7.746 4.922 -7.055 1.00 2.12 H new ATOM 0 HH11 ARG B 13 4.336 5.695 -7.542 1.00 2.69 H new ATOM 0 HH12 ARG B 13 4.640 6.667 -8.985 1.00 2.69 H new ATOM 0 HH21 ARG B 13 8.129 6.186 -8.916 1.00 3.10 H new ATOM 0 HH22 ARG B 13 6.772 6.943 -9.758 1.00 3.10 H new ATOM 2424 N TYR B 14 6.800 6.007 -0.818 1.00 1.21 N ATOM 2425 CA TYR B 14 7.342 7.266 -0.336 1.00 1.29 C ATOM 2426 C TYR B 14 8.433 6.977 0.684 1.00 1.32 C ATOM 2427 O TYR B 14 9.287 7.818 0.976 1.00 1.47 O ATOM 2428 CB TYR B 14 6.243 8.124 0.284 1.00 1.24 C ATOM 2429 CG TYR B 14 6.606 9.583 0.407 1.00 1.21 C ATOM 2430 CD1 TYR B 14 6.673 10.394 -0.719 1.00 1.23 C ATOM 2431 CD2 TYR B 14 6.878 10.152 1.643 1.00 1.26 C ATOM 2432 CE1 TYR B 14 7.001 11.733 -0.617 1.00 1.26 C ATOM 2433 CE2 TYR B 14 7.207 11.491 1.753 1.00 1.30 C ATOM 2434 CZ TYR B 14 7.269 12.276 0.619 1.00 1.28 C ATOM 2435 OH TYR B 14 7.594 13.608 0.722 1.00 1.38 O ATOM 0 H TYR B 14 6.058 5.617 -0.237 1.00 1.21 H new ATOM 0 HA TYR B 14 7.765 7.821 -1.173 1.00 1.29 H new ATOM 0 HB2 TYR B 14 5.340 8.034 -0.320 1.00 1.24 H new ATOM 0 HB3 TYR B 14 6.005 7.734 1.274 1.00 1.24 H new ATOM 0 HD1 TYR B 14 6.465 9.971 -1.691 1.00 1.23 H new ATOM 0 HD2 TYR B 14 6.832 9.541 2.532 1.00 1.26 H new ATOM 0 HE1 TYR B 14 7.047 12.350 -1.502 1.00 1.26 H new ATOM 0 HE2 TYR B 14 7.415 11.921 2.722 1.00 1.30 H new ATOM 0 HH TYR B 14 7.753 13.834 1.662 1.00 1.38 H new ATOM 2445 N GLN B 15 8.387 5.766 1.223 1.00 1.21 N ATOM 2446 CA GLN B 15 9.340 5.338 2.226 1.00 1.23 C ATOM 2447 C GLN B 15 10.622 4.821 1.579 1.00 1.37 C ATOM 2448 O GLN B 15 11.656 4.705 2.239 1.00 1.37 O ATOM 2449 CB GLN B 15 8.709 4.289 3.146 1.00 1.12 C ATOM 2450 CG GLN B 15 8.773 4.681 4.614 1.00 1.04 C ATOM 2451 CD GLN B 15 7.935 5.905 4.929 1.00 1.16 C ATOM 2452 OE1 GLN B 15 6.774 5.793 5.332 1.00 1.25 O ATOM 2453 NE2 GLN B 15 8.517 7.081 4.752 1.00 1.41 N ATOM 0 H GLN B 15 7.692 5.061 0.977 1.00 1.21 H new ATOM 0 HA GLN B 15 9.612 6.199 2.836 1.00 1.23 H new ATOM 0 HB2 GLN B 15 7.668 4.139 2.859 1.00 1.12 H new ATOM 0 HB3 GLN B 15 9.218 3.336 3.006 1.00 1.12 H new ATOM 0 HG2 GLN B 15 8.432 3.845 5.224 1.00 1.04 H new ATOM 0 HG3 GLN B 15 9.810 4.875 4.889 1.00 1.04 H new ATOM 0 HE21 GLN B 15 9.479 7.129 4.417 1.00 1.41 H new ATOM 0 HE22 GLN B 15 8.003 7.939 4.951 1.00 1.41 H new ATOM 2462 N ASP B 16 10.541 4.509 0.285 1.00 1.59 N ATOM 2463 CA ASP B 16 11.703 4.049 -0.471 1.00 1.76 C ATOM 2464 C ASP B 16 12.755 5.151 -0.505 1.00 1.96 C ATOM 2465 O ASP B 16 13.936 4.913 -0.233 1.00 2.05 O ATOM 2466 CB ASP B 16 11.290 3.666 -1.904 1.00 2.09 C ATOM 2467 CG ASP B 16 12.220 4.232 -2.973 1.00 2.24 C ATOM 2468 OD1 ASP B 16 13.302 3.650 -3.199 1.00 2.65 O ATOM 2469 OD2 ASP B 16 11.870 5.268 -3.582 1.00 2.32 O ATOM 0 H ASP B 16 9.681 4.567 -0.261 1.00 1.59 H new ATOM 0 HA ASP B 16 12.120 3.167 0.015 1.00 1.76 H new ATOM 0 HB2 ASP B 16 11.268 2.580 -1.990 1.00 2.09 H new ATOM 0 HB3 ASP B 16 10.276 4.021 -2.089 1.00 2.09 H new ATOM 2474 N GLU B 17 12.308 6.364 -0.811 1.00 2.16 N ATOM 2475 CA GLU B 17 13.196 7.515 -0.879 1.00 2.48 C ATOM 2476 C GLU B 17 13.538 7.993 0.532 1.00 2.44 C ATOM 2477 O GLU B 17 12.971 8.962 1.047 1.00 2.36 O ATOM 2478 CB GLU B 17 12.569 8.636 -1.721 1.00 2.75 C ATOM 2479 CG GLU B 17 13.430 9.888 -1.810 1.00 3.19 C ATOM 2480 CD GLU B 17 12.708 11.051 -2.450 1.00 3.49 C ATOM 2481 OE1 GLU B 17 11.692 11.507 -1.886 1.00 4.01 O ATOM 2482 OE2 GLU B 17 13.156 11.519 -3.518 1.00 3.62 O ATOM 0 H GLU B 17 11.331 6.574 -1.016 1.00 2.16 H new ATOM 0 HA GLU B 17 14.123 7.221 -1.371 1.00 2.48 H new ATOM 0 HB2 GLU B 17 12.383 8.262 -2.728 1.00 2.75 H new ATOM 0 HB3 GLU B 17 11.601 8.901 -1.295 1.00 2.75 H new ATOM 0 HG2 GLU B 17 13.753 10.173 -0.809 1.00 3.19 H new ATOM 0 HG3 GLU B 17 14.330 9.665 -2.384 1.00 3.19 H new ATOM 2489 N ASP B 18 14.441 7.259 1.163 1.00 2.66 N ATOM 2490 CA ASP B 18 14.901 7.565 2.511 1.00 2.76 C ATOM 2491 C ASP B 18 16.421 7.610 2.536 1.00 3.15 C ATOM 2492 O ASP B 18 17.017 8.416 3.247 1.00 3.44 O ATOM 2493 CB ASP B 18 14.390 6.517 3.510 1.00 2.70 C ATOM 2494 CG ASP B 18 14.964 6.712 4.903 1.00 2.54 C ATOM 2495 OD1 ASP B 18 14.623 7.728 5.549 1.00 2.74 O ATOM 2496 OD2 ASP B 18 15.749 5.850 5.353 1.00 2.45 O ATOM 0 H ASP B 18 14.877 6.432 0.755 1.00 2.66 H new ATOM 0 HA ASP B 18 14.505 8.538 2.802 1.00 2.76 H new ATOM 0 HB2 ASP B 18 13.302 6.566 3.559 1.00 2.70 H new ATOM 0 HB3 ASP B 18 14.648 5.521 3.150 1.00 2.70 H new ATOM 2501 N THR B 19 17.045 6.744 1.751 1.00 3.25 N ATOM 2502 CA THR B 19 18.493 6.692 1.667 1.00 3.64 C ATOM 2503 C THR B 19 18.971 7.464 0.445 1.00 4.26 C ATOM 2504 O THR B 19 18.965 6.891 -0.664 1.00 4.48 O ATOM 2505 CB THR B 19 18.999 5.237 1.590 1.00 3.58 C ATOM 2506 OG1 THR B 19 17.898 4.350 1.339 1.00 3.24 O ATOM 2507 CG2 THR B 19 19.704 4.830 2.877 1.00 3.63 C ATOM 0 H THR B 19 16.565 6.065 1.160 1.00 3.25 H new ATOM 0 HA THR B 19 18.898 7.147 2.571 1.00 3.64 H new ATOM 0 HB THR B 19 19.716 5.171 0.772 1.00 3.58 H new ATOM 0 HG1 THR B 19 18.226 3.428 1.289 1.00 3.24 H new ATOM 0 HG21 THR B 19 20.049 3.800 2.792 1.00 3.63 H new ATOM 0 HG22 THR B 19 20.558 5.486 3.047 1.00 3.63 H new ATOM 0 HG23 THR B 19 19.010 4.913 3.714 1.00 3.63 H new TER 2515 THR B 19 HETATM 2516 CA CA A 201 -17.128 8.452 -9.904 1.00 0.41 CA HETATM 2517 CA CA A 202 -19.554 6.951 3.270 1.00 0.48 CA HETATM 2518 CA CA A 203 2.993 -13.237 -3.435 1.00 0.50 CA HETATM 2519 CA CA A 204 13.869 -10.391 0.966 1.00 0.73 CA