USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -0.388 K(o=-2.4,f=-4.3) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.03 K(o=-2.4,f=-4.3!) USER MOD Set 2.1: B 12 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: B 17 SER OG : rot 180:sc= 0 USER MOD Set 2.3: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.4: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 3.4: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 131:sc= 1.41 (180deg=0.267) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0525 (180deg=-0.427) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 14 LYS NZ :NH3+ 143:sc= -0.132 (180deg=-0.927) USER MOD Single : A 15 TYR OH : rot -7:sc= 1.3 USER MOD Single : A 16 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-2.1!) USER MOD Single : A 18 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 164:sc= -0.448 (180deg=-1.43!) USER MOD Single : A 24 SER OG : rot 78:sc= 0.262 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0129 F(o=-0.98,f=-0.013) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 69:sc= 0.318 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0904 (180deg=-0.625) USER MOD Single : B 1 PHE N :NH3+ 127:sc= 1.45 (180deg=0.294) USER MOD Single : B 7 LYS NZ :NH3+ 160:sc= -0.0165 (180deg=-0.442) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 14 LYS NZ :NH3+ 158:sc= -0.102 (180deg=-0.895) USER MOD Single : B 15 TYR OH : rot 1:sc= 1.26 USER MOD Single : B 16 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-2.1!) USER MOD Single : B 18 ASN : amide:sc= -0.035 K(o=-0.035,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 161:sc= -0.47 (180deg=-1.4!) USER MOD Single : B 24 SER OG : rot 77:sc= 0.263 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0134 F(o=-1,f=-0.013) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 71:sc= 0.306 USER MOD Single : B 42 LYS NZ :NH3+ 160:sc= -0.0647 (180deg=-0.649) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.343 -4.556 24.509 1.00 0.00 N ATOM 2 CA PHE A 1 95.092 -3.737 25.505 1.00 0.00 C ATOM 3 C PHE A 1 95.076 -2.277 25.062 1.00 0.00 C ATOM 4 O PHE A 1 96.104 -1.674 24.826 1.00 0.00 O ATOM 5 CB PHE A 1 96.533 -4.224 25.575 1.00 0.00 C ATOM 6 CG PHE A 1 96.562 -5.735 25.549 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.313 -6.462 26.717 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.841 -6.406 24.351 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.345 -7.864 26.688 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.874 -7.805 24.322 1.00 0.00 C ATOM 11 CZ PHE A 1 96.627 -8.533 25.491 1.00 0.00 C ATOM 0 H1 PHE A 1 94.912 -5.384 24.242 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.444 -4.873 24.926 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.149 -3.982 23.663 1.00 0.00 H new ATOM 0 HA PHE A 1 94.626 -3.831 26.486 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.103 -3.825 24.736 1.00 0.00 H new ATOM 0 HB3 PHE A 1 97.007 -3.857 26.485 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.096 -5.945 27.640 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.031 -5.843 23.449 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.152 -8.427 27.589 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.090 -8.322 23.399 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.654 -9.612 25.470 1.00 0.00 H new ATOM 23 N LEU A 2 93.914 -1.717 24.931 1.00 0.00 N ATOM 24 CA LEU A 2 93.800 -0.298 24.480 1.00 0.00 C ATOM 25 C LEU A 2 93.684 0.638 25.678 1.00 0.00 C ATOM 26 O LEU A 2 93.065 0.325 26.669 1.00 0.00 O ATOM 27 CB LEU A 2 92.560 -0.146 23.593 1.00 0.00 C ATOM 28 CG LEU A 2 92.676 -1.061 22.366 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.373 -0.994 21.564 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.853 -0.619 21.478 1.00 0.00 C ATOM 0 H LEU A 2 93.025 -2.181 25.117 1.00 0.00 H new ATOM 0 HA LEU A 2 94.696 -0.036 23.917 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.664 -0.397 24.161 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.456 0.891 23.275 1.00 0.00 H new ATOM 0 HG LEU A 2 92.854 -2.084 22.698 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.449 -1.642 20.691 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.543 -1.324 22.189 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.197 0.032 21.240 1.00 0.00 H new ATOM 0 HD21 LEU A 2 93.923 -1.277 20.612 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.691 0.406 21.143 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.780 -0.672 22.049 1.00 0.00 H new ATOM 42 N ASP A 3 94.265 1.799 25.583 1.00 0.00 N ATOM 43 CA ASP A 3 94.170 2.767 26.707 1.00 0.00 C ATOM 44 C ASP A 3 92.698 3.074 26.929 1.00 0.00 C ATOM 45 O ASP A 3 92.221 3.172 28.041 1.00 0.00 O ATOM 46 CB ASP A 3 94.888 4.056 26.323 1.00 0.00 C ATOM 47 CG ASP A 3 94.327 4.580 25.000 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.042 3.766 24.136 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.190 5.785 24.872 1.00 0.00 O ATOM 0 H ASP A 3 94.801 2.119 24.776 1.00 0.00 H new ATOM 0 HA ASP A 3 94.623 2.353 27.608 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.759 4.803 27.106 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.959 3.874 26.229 1.00 0.00 H new ATOM 54 N GLY A 4 91.975 3.207 25.858 1.00 0.00 N ATOM 55 CA GLY A 4 90.518 3.487 25.962 1.00 0.00 C ATOM 56 C GLY A 4 89.890 2.507 26.955 1.00 0.00 C ATOM 57 O GLY A 4 88.786 2.703 27.421 1.00 0.00 O ATOM 0 H GLY A 4 92.333 3.133 24.906 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.355 4.513 26.292 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.045 3.387 24.985 1.00 0.00 H new ATOM 61 N ILE A 5 90.595 1.458 27.297 1.00 0.00 N ATOM 62 CA ILE A 5 90.041 0.479 28.276 1.00 0.00 C ATOM 63 C ILE A 5 89.769 1.210 29.592 1.00 0.00 C ATOM 64 O ILE A 5 88.735 1.038 30.207 1.00 0.00 O ATOM 65 CB ILE A 5 91.042 -0.669 28.487 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.065 -1.562 27.244 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.632 -1.503 29.707 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.276 -2.501 27.308 1.00 0.00 C ATOM 0 H ILE A 5 91.526 1.239 26.942 1.00 0.00 H new ATOM 0 HA ILE A 5 89.111 0.052 27.901 1.00 0.00 H new ATOM 0 HB ILE A 5 92.034 -0.251 28.656 1.00 0.00 H new ATOM 0 HG12 ILE A 5 90.145 -2.143 27.184 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.115 -0.949 26.344 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.346 -2.314 29.850 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.621 -0.869 30.594 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.638 -1.919 29.546 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.291 -3.136 26.422 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.192 -1.911 27.347 1.00 0.00 H new ATOM 0 HD13 ILE A 5 92.207 -3.124 28.200 1.00 0.00 H new ATOM 80 N ASP A 6 90.675 2.047 30.014 1.00 0.00 N ATOM 81 CA ASP A 6 90.451 2.815 31.270 1.00 0.00 C ATOM 82 C ASP A 6 89.231 3.712 31.067 1.00 0.00 C ATOM 83 O ASP A 6 88.407 3.879 31.944 1.00 0.00 O ATOM 84 CB ASP A 6 91.677 3.677 31.576 1.00 0.00 C ATOM 85 CG ASP A 6 92.845 2.780 31.989 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.589 1.714 32.521 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.978 3.173 31.761 1.00 0.00 O ATOM 0 H ASP A 6 91.561 2.232 29.543 1.00 0.00 H new ATOM 0 HA ASP A 6 90.286 2.133 32.104 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.949 4.265 30.699 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.448 4.383 32.374 1.00 0.00 H new ATOM 92 N LYS A 7 89.120 4.288 29.904 1.00 0.00 N ATOM 93 CA LYS A 7 87.965 5.176 29.602 1.00 0.00 C ATOM 94 C LYS A 7 86.677 4.355 29.641 1.00 0.00 C ATOM 95 O LYS A 7 85.654 4.807 30.119 1.00 0.00 O ATOM 96 CB LYS A 7 88.145 5.774 28.204 1.00 0.00 C ATOM 97 CG LYS A 7 87.002 6.748 27.909 1.00 0.00 C ATOM 98 CD LYS A 7 87.188 7.342 26.513 1.00 0.00 C ATOM 99 CE LYS A 7 86.058 8.332 26.231 1.00 0.00 C ATOM 100 NZ LYS A 7 86.203 9.513 27.126 1.00 0.00 N ATOM 0 H LYS A 7 89.788 4.180 29.141 1.00 0.00 H new ATOM 0 HA LYS A 7 87.910 5.977 30.339 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.102 6.291 28.140 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.161 4.980 27.457 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.044 6.231 27.972 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.985 7.543 28.655 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.153 7.845 26.445 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.188 6.549 25.765 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.087 8.646 25.188 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.092 7.855 26.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.674 10.316 26.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.828 9.283 28.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 87.208 9.767 27.206 1.00 0.00 H new ATOM 114 N ALA A 8 86.717 3.156 29.132 1.00 0.00 N ATOM 115 CA ALA A 8 85.496 2.304 29.126 1.00 0.00 C ATOM 116 C ALA A 8 85.001 2.104 30.560 1.00 0.00 C ATOM 117 O ALA A 8 83.814 2.027 30.808 1.00 0.00 O ATOM 118 CB ALA A 8 85.828 0.947 28.504 1.00 0.00 C ATOM 0 H ALA A 8 87.545 2.728 28.719 1.00 0.00 H new ATOM 0 HA ALA A 8 84.716 2.791 28.542 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.936 0.321 28.498 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.177 1.091 27.481 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.609 0.460 29.088 1.00 0.00 H new ATOM 124 N GLN A 9 85.894 2.022 31.508 1.00 0.00 N ATOM 125 CA GLN A 9 85.456 1.834 32.922 1.00 0.00 C ATOM 126 C GLN A 9 84.572 3.011 33.336 1.00 0.00 C ATOM 127 O GLN A 9 83.557 2.846 33.983 1.00 0.00 O ATOM 128 CB GLN A 9 86.687 1.794 33.831 1.00 0.00 C ATOM 129 CG GLN A 9 87.469 0.503 33.593 1.00 0.00 C ATOM 130 CD GLN A 9 88.697 0.476 34.506 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.630 0.890 35.647 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.821 -0.004 34.051 1.00 0.00 N ATOM 0 H GLN A 9 86.903 2.077 31.367 1.00 0.00 H new ATOM 0 HA GLN A 9 84.899 0.901 33.011 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.324 2.656 33.633 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.381 1.856 34.875 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.835 -0.361 33.792 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.777 0.439 32.549 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.877 -0.351 33.094 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.644 -0.032 34.653 1.00 0.00 H new ATOM 141 N GLU A 10 84.957 4.199 32.964 1.00 0.00 N ATOM 142 CA GLU A 10 84.158 5.404 33.322 1.00 0.00 C ATOM 143 C GLU A 10 82.758 5.303 32.709 1.00 0.00 C ATOM 144 O GLU A 10 81.774 5.679 33.316 1.00 0.00 O ATOM 145 CB GLU A 10 84.870 6.652 32.795 1.00 0.00 C ATOM 146 CG GLU A 10 84.103 7.908 33.218 1.00 0.00 C ATOM 147 CD GLU A 10 84.836 9.148 32.703 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.942 8.996 32.210 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.281 10.229 32.814 1.00 0.00 O ATOM 0 H GLU A 10 85.800 4.389 32.422 1.00 0.00 H new ATOM 0 HA GLU A 10 84.062 5.469 34.406 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.889 6.690 33.181 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.942 6.608 31.708 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.089 7.880 32.820 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.018 7.947 34.304 1.00 0.00 H new ATOM 156 N GLU A 11 82.666 4.822 31.498 1.00 0.00 N ATOM 157 CA GLU A 11 81.337 4.718 30.821 1.00 0.00 C ATOM 158 C GLU A 11 80.724 3.339 31.070 1.00 0.00 C ATOM 159 O GLU A 11 79.704 2.994 30.506 1.00 0.00 O ATOM 160 CB GLU A 11 81.525 4.922 29.318 1.00 0.00 C ATOM 161 CG GLU A 11 81.898 6.381 29.047 1.00 0.00 C ATOM 162 CD GLU A 11 82.088 6.590 27.544 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.051 5.609 26.820 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.265 7.729 27.143 1.00 0.00 O ATOM 0 H GLU A 11 83.458 4.494 30.944 1.00 0.00 H new ATOM 0 HA GLU A 11 80.670 5.481 31.223 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.306 4.260 28.945 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.608 4.665 28.787 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.116 7.042 29.421 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.814 6.638 29.579 1.00 0.00 H new ATOM 171 N CYS A 12 81.330 2.546 31.909 1.00 0.00 N ATOM 172 CA CYS A 12 80.768 1.194 32.188 1.00 0.00 C ATOM 173 C CYS A 12 79.283 1.328 32.543 1.00 0.00 C ATOM 174 O CYS A 12 78.462 0.526 32.144 1.00 0.00 O ATOM 175 CB CYS A 12 81.519 0.561 33.364 1.00 0.00 C ATOM 176 SG CYS A 12 80.924 -1.130 33.620 1.00 0.00 S ATOM 0 H CYS A 12 82.187 2.774 32.412 1.00 0.00 H new ATOM 0 HA CYS A 12 80.878 0.563 31.306 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.590 0.555 33.164 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.367 1.152 34.267 1.00 0.00 H new ATOM 0 HG CYS A 12 81.562 -1.668 34.616 1.00 0.00 H new ATOM 181 N GLU A 13 78.938 2.336 33.296 1.00 0.00 N ATOM 182 CA GLU A 13 77.512 2.536 33.695 1.00 0.00 C ATOM 183 C GLU A 13 76.629 2.730 32.455 1.00 0.00 C ATOM 184 O GLU A 13 75.508 2.266 32.406 1.00 0.00 O ATOM 185 CB GLU A 13 77.404 3.777 34.583 1.00 0.00 C ATOM 186 CG GLU A 13 78.052 3.497 35.940 1.00 0.00 C ATOM 187 CD GLU A 13 77.940 4.739 36.826 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.499 5.762 36.326 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.292 4.646 37.990 1.00 0.00 O ATOM 0 H GLU A 13 79.587 3.036 33.656 1.00 0.00 H new ATOM 0 HA GLU A 13 77.173 1.654 34.238 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.894 4.624 34.103 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.357 4.050 34.718 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.563 2.650 36.420 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.099 3.226 35.806 1.00 0.00 H new ATOM 196 N LYS A 14 77.110 3.439 31.469 1.00 0.00 N ATOM 197 CA LYS A 14 76.278 3.690 30.253 1.00 0.00 C ATOM 198 C LYS A 14 75.921 2.367 29.569 1.00 0.00 C ATOM 199 O LYS A 14 74.816 2.187 29.095 1.00 0.00 O ATOM 200 CB LYS A 14 77.053 4.575 29.274 1.00 0.00 C ATOM 201 CG LYS A 14 77.191 5.984 29.856 1.00 0.00 C ATOM 202 CD LYS A 14 77.964 6.871 28.877 1.00 0.00 C ATOM 203 CE LYS A 14 78.101 8.278 29.462 1.00 0.00 C ATOM 204 NZ LYS A 14 78.756 8.196 30.799 1.00 0.00 N ATOM 0 H LYS A 14 78.041 3.855 31.451 1.00 0.00 H new ATOM 0 HA LYS A 14 75.359 4.192 30.555 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.039 4.150 29.086 1.00 0.00 H new ATOM 0 HB3 LYS A 14 76.535 4.615 28.316 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.205 6.408 30.046 1.00 0.00 H new ATOM 0 HG3 LYS A 14 77.710 5.944 30.814 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.950 6.447 28.687 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.445 6.913 27.920 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.690 8.906 28.794 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.119 8.743 29.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 79.391 9.010 30.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.029 8.205 31.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.306 7.315 30.863 1.00 0.00 H new ATOM 218 N TYR A 15 76.839 1.441 29.502 1.00 0.00 N ATOM 219 CA TYR A 15 76.537 0.136 28.837 1.00 0.00 C ATOM 220 C TYR A 15 75.964 -0.842 29.866 1.00 0.00 C ATOM 221 O TYR A 15 75.427 -1.875 29.520 1.00 0.00 O ATOM 222 CB TYR A 15 77.821 -0.439 28.235 1.00 0.00 C ATOM 223 CG TYR A 15 78.345 0.505 27.179 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.908 0.386 25.854 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.264 1.502 27.525 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.392 1.264 24.876 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.748 2.380 26.548 1.00 0.00 C ATOM 228 CZ TYR A 15 79.311 2.260 25.222 1.00 0.00 C ATOM 229 OH TYR A 15 79.788 3.126 24.258 1.00 0.00 O ATOM 0 H TYR A 15 77.783 1.529 29.877 1.00 0.00 H new ATOM 0 HA TYR A 15 75.806 0.292 28.044 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.569 -0.582 29.015 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.625 -1.418 27.798 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.198 -0.383 25.586 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.600 1.594 28.547 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.055 1.172 23.854 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.457 3.149 26.816 1.00 0.00 H new ATOM 0 HH TYR A 15 79.475 2.838 23.375 1.00 0.00 H new ATOM 239 N HIS A 16 76.071 -0.522 31.130 1.00 0.00 N ATOM 240 CA HIS A 16 75.527 -1.430 32.182 1.00 0.00 C ATOM 241 C HIS A 16 76.191 -2.803 32.068 1.00 0.00 C ATOM 242 O HIS A 16 77.390 -2.915 31.909 1.00 0.00 O ATOM 243 CB HIS A 16 74.012 -1.577 32.009 1.00 0.00 C ATOM 244 CG HIS A 16 73.398 -0.225 31.773 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.352 0.750 32.759 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.798 0.330 30.669 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.744 1.830 32.234 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.389 1.624 30.966 1.00 0.00 N ATOM 0 H HIS A 16 76.512 0.329 31.478 1.00 0.00 H new ATOM 0 HA HIS A 16 75.736 -1.006 33.164 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.794 -2.238 31.170 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.577 -2.035 32.897 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.665 -0.163 29.717 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.566 2.749 32.773 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.916 2.279 30.344 1.00 0.00 H new ATOM 257 N SER A 17 75.415 -3.853 32.152 1.00 0.00 N ATOM 258 CA SER A 17 75.990 -5.227 32.053 1.00 0.00 C ATOM 259 C SER A 17 76.079 -5.647 30.584 1.00 0.00 C ATOM 260 O SER A 17 76.519 -6.735 30.270 1.00 0.00 O ATOM 261 CB SER A 17 75.094 -6.211 32.805 1.00 0.00 C ATOM 262 OG SER A 17 75.017 -5.827 34.171 1.00 0.00 O ATOM 0 H SER A 17 74.404 -3.817 32.285 1.00 0.00 H new ATOM 0 HA SER A 17 76.988 -5.230 32.492 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.098 -6.225 32.363 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.494 -7.222 32.721 1.00 0.00 H new ATOM 0 HG SER A 17 74.442 -6.455 34.655 1.00 0.00 H new ATOM 268 N ASN A 18 75.667 -4.801 29.677 1.00 0.00 N ATOM 269 CA ASN A 18 75.737 -5.175 28.236 1.00 0.00 C ATOM 270 C ASN A 18 77.165 -4.973 27.733 1.00 0.00 C ATOM 271 O ASN A 18 77.481 -3.978 27.110 1.00 0.00 O ATOM 272 CB ASN A 18 74.787 -4.297 27.419 1.00 0.00 C ATOM 273 CG ASN A 18 73.339 -4.667 27.741 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.072 -5.735 28.253 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.385 -3.829 27.441 1.00 0.00 N ATOM 0 H ASN A 18 75.288 -3.874 29.870 1.00 0.00 H new ATOM 0 HA ASN A 18 75.446 -6.219 28.123 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.963 -3.245 27.646 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.978 -4.430 26.354 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.414 -4.071 27.637 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.611 -2.932 27.011 1.00 0.00 H new ATOM 282 N TRP A 19 78.028 -5.909 28.003 1.00 0.00 N ATOM 283 CA TRP A 19 79.437 -5.777 27.546 1.00 0.00 C ATOM 284 C TRP A 19 79.501 -5.922 26.022 1.00 0.00 C ATOM 285 O TRP A 19 80.397 -5.411 25.380 1.00 0.00 O ATOM 286 CB TRP A 19 80.287 -6.869 28.200 1.00 0.00 C ATOM 287 CG TRP A 19 79.761 -8.213 27.810 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.824 -8.911 28.492 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.119 -9.025 26.657 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.588 -10.104 27.833 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.363 -10.220 26.694 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.019 -8.844 25.593 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.496 -11.201 25.710 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.155 -9.826 24.601 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.395 -11.003 24.659 1.00 0.00 C ATOM 0 H TRP A 19 77.818 -6.762 28.522 1.00 0.00 H new ATOM 0 HA TRP A 19 79.820 -4.797 27.830 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.327 -6.770 27.889 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.267 -6.760 29.284 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.340 -8.589 29.402 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.924 -10.811 28.149 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.610 -7.942 25.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.909 -12.106 25.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.849 -9.675 23.788 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.504 -11.756 23.892 1.00 0.00 H new ATOM 306 N ARG A 20 78.563 -6.620 25.437 1.00 0.00 N ATOM 307 CA ARG A 20 78.586 -6.797 23.954 1.00 0.00 C ATOM 308 C ARG A 20 78.508 -5.437 23.260 1.00 0.00 C ATOM 309 O ARG A 20 79.192 -5.189 22.288 1.00 0.00 O ATOM 310 CB ARG A 20 77.399 -7.656 23.513 1.00 0.00 C ATOM 311 CG ARG A 20 77.610 -9.097 23.982 1.00 0.00 C ATOM 312 CD ARG A 20 76.435 -9.967 23.529 1.00 0.00 C ATOM 313 NE ARG A 20 76.630 -11.357 24.030 1.00 0.00 N ATOM 314 CZ ARG A 20 75.634 -12.201 24.027 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.455 -11.820 23.616 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.816 -13.425 24.443 1.00 0.00 N ATOM 0 H ARG A 20 77.786 -7.073 25.918 1.00 0.00 H new ATOM 0 HA ARG A 20 79.517 -7.291 23.677 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.474 -7.258 23.930 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.298 -7.626 22.428 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.542 -9.489 23.575 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.699 -9.126 25.068 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.498 -9.559 23.909 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.365 -9.967 22.441 1.00 0.00 H new ATOM 0 HE ARG A 20 77.544 -11.650 24.376 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.311 -10.862 23.297 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.678 -12.480 23.614 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.736 -13.721 24.770 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.038 -14.085 24.441 1.00 0.00 H new ATOM 330 N ALA A 21 77.681 -4.553 23.743 1.00 0.00 N ATOM 331 CA ALA A 21 77.574 -3.219 23.093 1.00 0.00 C ATOM 332 C ALA A 21 78.885 -2.456 23.291 1.00 0.00 C ATOM 333 O ALA A 21 79.401 -1.842 22.376 1.00 0.00 O ATOM 334 CB ALA A 21 76.419 -2.435 23.722 1.00 0.00 C ATOM 0 H ALA A 21 77.079 -4.695 24.554 1.00 0.00 H new ATOM 0 HA ALA A 21 77.384 -3.344 22.027 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.341 -1.458 23.246 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.488 -2.983 23.581 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.605 -2.305 24.788 1.00 0.00 H new ATOM 340 N MET A 22 79.432 -2.492 24.475 1.00 0.00 N ATOM 341 CA MET A 22 80.714 -1.776 24.725 1.00 0.00 C ATOM 342 C MET A 22 81.812 -2.371 23.843 1.00 0.00 C ATOM 343 O MET A 22 82.597 -1.662 23.249 1.00 0.00 O ATOM 344 CB MET A 22 81.099 -1.926 26.200 1.00 0.00 C ATOM 345 CG MET A 22 82.378 -1.133 26.483 1.00 0.00 C ATOM 346 SD MET A 22 82.800 -1.273 28.238 1.00 0.00 S ATOM 347 CE MET A 22 83.142 -3.050 28.259 1.00 0.00 C ATOM 0 H MET A 22 79.046 -2.986 25.280 1.00 0.00 H new ATOM 0 HA MET A 22 80.595 -0.719 24.487 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.289 -1.567 26.835 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.251 -2.978 26.441 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.196 -1.511 25.870 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.236 -0.086 26.215 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.690 -3.304 29.166 1.00 0.00 H new ATOM 0 HE2 MET A 22 82.202 -3.602 28.236 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.740 -3.316 27.387 1.00 0.00 H new ATOM 357 N ALA A 23 81.875 -3.671 23.750 1.00 0.00 N ATOM 358 CA ALA A 23 82.928 -4.307 22.909 1.00 0.00 C ATOM 359 C ALA A 23 82.787 -3.830 21.461 1.00 0.00 C ATOM 360 O ALA A 23 83.763 -3.572 20.785 1.00 0.00 O ATOM 361 CB ALA A 23 82.765 -5.826 22.962 1.00 0.00 C ATOM 0 H ALA A 23 81.243 -4.320 24.220 1.00 0.00 H new ATOM 0 HA ALA A 23 83.912 -4.029 23.286 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.533 -6.296 22.348 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.865 -6.167 23.992 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.780 -6.100 22.583 1.00 0.00 H new ATOM 367 N SER A 24 81.581 -3.719 20.977 1.00 0.00 N ATOM 368 CA SER A 24 81.380 -3.269 19.572 1.00 0.00 C ATOM 369 C SER A 24 81.904 -1.840 19.401 1.00 0.00 C ATOM 370 O SER A 24 82.499 -1.505 18.396 1.00 0.00 O ATOM 371 CB SER A 24 79.887 -3.302 19.241 1.00 0.00 C ATOM 372 OG SER A 24 79.432 -4.649 19.256 1.00 0.00 O ATOM 0 H SER A 24 80.726 -3.921 21.495 1.00 0.00 H new ATOM 0 HA SER A 24 81.924 -3.933 18.901 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.329 -2.709 19.966 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.710 -2.857 18.262 1.00 0.00 H new ATOM 0 HG SER A 24 79.316 -4.945 20.183 1.00 0.00 H new ATOM 378 N ASP A 25 81.680 -0.994 20.366 1.00 0.00 N ATOM 379 CA ASP A 25 82.155 0.414 20.250 1.00 0.00 C ATOM 380 C ASP A 25 83.681 0.472 20.346 1.00 0.00 C ATOM 381 O ASP A 25 84.328 1.219 19.639 1.00 0.00 O ATOM 382 CB ASP A 25 81.550 1.249 21.377 1.00 0.00 C ATOM 383 CG ASP A 25 80.051 1.423 21.133 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.606 1.095 20.045 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.373 1.874 22.039 1.00 0.00 O ATOM 0 H ASP A 25 81.188 -1.216 21.232 1.00 0.00 H new ATOM 0 HA ASP A 25 81.844 0.810 19.283 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.719 0.761 22.337 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.037 2.223 21.425 1.00 0.00 H new ATOM 390 N PHE A 26 84.262 -0.308 21.217 1.00 0.00 N ATOM 391 CA PHE A 26 85.751 -0.299 21.364 1.00 0.00 C ATOM 392 C PHE A 26 86.359 -1.427 20.525 1.00 0.00 C ATOM 393 O PHE A 26 87.560 -1.602 20.485 1.00 0.00 O ATOM 394 CB PHE A 26 86.120 -0.483 22.840 1.00 0.00 C ATOM 395 CG PHE A 26 85.782 0.779 23.604 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.736 1.798 23.727 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.516 0.937 24.186 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.426 2.969 24.430 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.207 2.109 24.887 1.00 0.00 C ATOM 400 CZ PHE A 26 85.162 3.124 25.009 1.00 0.00 C ATOM 0 H PHE A 26 83.771 -0.953 21.836 1.00 0.00 H new ATOM 0 HA PHE A 26 86.146 0.654 21.013 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.578 -1.331 23.259 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.183 -0.705 22.936 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.712 1.680 23.279 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.778 0.154 24.093 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.163 3.753 24.525 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.231 2.229 25.334 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.923 4.028 25.550 1.00 0.00 H new ATOM 410 N ASN A 27 85.541 -2.185 19.845 1.00 0.00 N ATOM 411 CA ASN A 27 86.079 -3.291 18.999 1.00 0.00 C ATOM 412 C ASN A 27 87.036 -4.151 19.825 1.00 0.00 C ATOM 413 O ASN A 27 88.111 -4.501 19.380 1.00 0.00 O ATOM 414 CB ASN A 27 86.830 -2.698 17.806 1.00 0.00 C ATOM 415 CG ASN A 27 85.873 -1.839 16.978 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.641 -2.236 16.811 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 86.246 -0.793 16.486 1.00 0.00 N flip ATOM 0 H ASN A 27 84.526 -2.087 19.838 1.00 0.00 H new ATOM 0 HA ASN A 27 85.254 -3.908 18.643 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.669 -2.095 18.154 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.245 -3.496 17.190 1.00 0.00 H new ATOM 0 HD21 ASN A 27 87.209 -0.483 16.617 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.596 -0.225 15.942 1.00 0.00 H new ATOM 424 N LEU A 28 86.653 -4.486 21.030 1.00 0.00 N ATOM 425 CA LEU A 28 87.530 -5.319 21.913 1.00 0.00 C ATOM 426 C LEU A 28 86.909 -6.718 22.094 1.00 0.00 C ATOM 427 O LEU A 28 85.855 -6.843 22.685 1.00 0.00 O ATOM 428 CB LEU A 28 87.611 -4.647 23.287 1.00 0.00 C ATOM 429 CG LEU A 28 88.608 -3.478 23.257 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.454 -2.671 24.552 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.059 -4.003 23.132 1.00 0.00 C ATOM 0 H LEU A 28 85.762 -4.216 21.446 1.00 0.00 H new ATOM 0 HA LEU A 28 88.519 -5.411 21.464 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.626 -4.285 23.580 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.918 -5.376 24.037 1.00 0.00 H new ATOM 0 HG LEU A 28 88.401 -2.846 22.394 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.155 -1.837 24.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.436 -2.289 24.623 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.661 -3.313 25.408 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.750 -3.161 23.112 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.290 -4.642 23.985 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.160 -4.577 22.211 1.00 0.00 H new ATOM 443 N PRO A 29 87.541 -7.773 21.618 1.00 0.00 N ATOM 444 CA PRO A 29 86.994 -9.150 21.787 1.00 0.00 C ATOM 445 C PRO A 29 86.534 -9.401 23.239 1.00 0.00 C ATOM 446 O PRO A 29 87.079 -8.835 24.166 1.00 0.00 O ATOM 447 CB PRO A 29 88.178 -10.055 21.427 1.00 0.00 C ATOM 448 CG PRO A 29 88.979 -9.255 20.451 1.00 0.00 C ATOM 449 CD PRO A 29 88.817 -7.789 20.871 1.00 0.00 C ATOM 0 HA PRO A 29 86.115 -9.328 21.168 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.766 -10.309 22.309 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.841 -10.994 20.988 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.027 -9.553 20.470 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.622 -9.411 19.433 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.648 -7.457 21.493 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.782 -7.127 20.006 1.00 0.00 H new ATOM 457 N PRO A 30 85.540 -10.235 23.439 1.00 0.00 N ATOM 458 CA PRO A 30 85.013 -10.543 24.799 1.00 0.00 C ATOM 459 C PRO A 30 86.114 -10.678 25.865 1.00 0.00 C ATOM 460 O PRO A 30 85.849 -10.602 27.049 1.00 0.00 O ATOM 461 CB PRO A 30 84.296 -11.891 24.611 1.00 0.00 C ATOM 462 CG PRO A 30 83.891 -11.943 23.165 1.00 0.00 C ATOM 463 CD PRO A 30 84.807 -10.974 22.394 1.00 0.00 C ATOM 0 HA PRO A 30 84.373 -9.739 25.162 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.955 -12.722 24.862 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.426 -11.965 25.263 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.990 -12.956 22.775 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.846 -11.657 23.049 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.490 -11.513 21.738 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.228 -10.299 21.765 1.00 0.00 H new ATOM 471 N VAL A 31 87.333 -10.912 25.466 1.00 0.00 N ATOM 472 CA VAL A 31 88.417 -11.092 26.476 1.00 0.00 C ATOM 473 C VAL A 31 88.566 -9.841 27.347 1.00 0.00 C ATOM 474 O VAL A 31 88.548 -9.917 28.559 1.00 0.00 O ATOM 475 CB VAL A 31 89.741 -11.366 25.755 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.902 -11.351 26.759 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.671 -12.737 25.079 1.00 0.00 C ATOM 0 H VAL A 31 87.626 -10.986 24.492 1.00 0.00 H new ATOM 0 HA VAL A 31 88.156 -11.934 27.118 1.00 0.00 H new ATOM 0 HB VAL A 31 89.909 -10.591 25.007 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.838 -11.547 26.236 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.953 -10.375 27.241 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.740 -12.121 27.514 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.611 -12.937 24.564 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.499 -13.506 25.832 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.853 -12.746 24.358 1.00 0.00 H new ATOM 487 N VAL A 32 88.734 -8.695 26.748 1.00 0.00 N ATOM 488 CA VAL A 32 88.906 -7.455 27.561 1.00 0.00 C ATOM 489 C VAL A 32 87.552 -6.945 28.048 1.00 0.00 C ATOM 490 O VAL A 32 87.428 -6.455 29.153 1.00 0.00 O ATOM 491 CB VAL A 32 89.587 -6.375 26.728 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.815 -5.138 27.598 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.930 -6.899 26.198 1.00 0.00 C ATOM 0 H VAL A 32 88.760 -8.562 25.737 1.00 0.00 H new ATOM 0 HA VAL A 32 89.527 -7.692 28.425 1.00 0.00 H new ATOM 0 HB VAL A 32 88.953 -6.110 25.882 1.00 0.00 H new ATOM 0 HG11 VAL A 32 90.302 -4.362 27.007 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.857 -4.768 27.963 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.449 -5.401 28.445 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.414 -6.124 25.603 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.573 -7.167 27.037 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.758 -7.779 25.578 1.00 0.00 H new ATOM 503 N ALA A 33 86.531 -7.040 27.240 1.00 0.00 N ATOM 504 CA ALA A 33 85.202 -6.542 27.686 1.00 0.00 C ATOM 505 C ALA A 33 84.790 -7.313 28.936 1.00 0.00 C ATOM 506 O ALA A 33 84.370 -6.743 29.923 1.00 0.00 O ATOM 507 CB ALA A 33 84.172 -6.752 26.576 1.00 0.00 C ATOM 0 H ALA A 33 86.560 -7.437 26.301 1.00 0.00 H new ATOM 0 HA ALA A 33 85.257 -5.477 27.911 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.200 -6.386 26.907 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.481 -6.206 25.685 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.099 -7.814 26.343 1.00 0.00 H new ATOM 513 N LYS A 34 84.932 -8.606 28.909 1.00 0.00 N ATOM 514 CA LYS A 34 84.577 -9.422 30.099 1.00 0.00 C ATOM 515 C LYS A 34 85.438 -8.990 31.291 1.00 0.00 C ATOM 516 O LYS A 34 84.975 -8.920 32.412 1.00 0.00 O ATOM 517 CB LYS A 34 84.831 -10.904 29.794 1.00 0.00 C ATOM 518 CG LYS A 34 83.805 -11.425 28.773 1.00 0.00 C ATOM 519 CD LYS A 34 82.472 -11.750 29.466 1.00 0.00 C ATOM 520 CE LYS A 34 81.550 -12.474 28.484 1.00 0.00 C ATOM 521 NZ LYS A 34 80.346 -12.976 29.208 1.00 0.00 N ATOM 0 H LYS A 34 85.280 -9.135 28.110 1.00 0.00 H new ATOM 0 HA LYS A 34 83.524 -9.275 30.341 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.840 -11.034 29.403 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.767 -11.487 30.713 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.645 -10.677 27.996 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.193 -12.317 28.282 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.648 -12.373 30.343 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.999 -10.833 29.817 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.250 -11.797 27.684 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.079 -13.305 28.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.719 -13.468 28.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.641 -13.635 29.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 79.837 -12.175 29.633 1.00 0.00 H new ATOM 535 N GLU A 35 86.694 -8.717 31.058 1.00 0.00 N ATOM 536 CA GLU A 35 87.591 -8.308 32.179 1.00 0.00 C ATOM 537 C GLU A 35 87.114 -6.991 32.791 1.00 0.00 C ATOM 538 O GLU A 35 87.138 -6.818 33.994 1.00 0.00 O ATOM 539 CB GLU A 35 89.015 -8.124 31.652 1.00 0.00 C ATOM 540 CG GLU A 35 89.974 -7.864 32.824 1.00 0.00 C ATOM 541 CD GLU A 35 89.875 -6.401 33.276 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.422 -5.583 32.492 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.250 -6.126 34.404 1.00 0.00 O ATOM 0 H GLU A 35 87.138 -8.759 30.141 1.00 0.00 H new ATOM 0 HA GLU A 35 87.571 -9.086 32.943 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.328 -9.013 31.105 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.048 -7.290 30.951 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.732 -8.526 33.655 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.997 -8.091 32.523 1.00 0.00 H new ATOM 550 N ILE A 36 86.682 -6.057 31.988 1.00 0.00 N ATOM 551 CA ILE A 36 86.214 -4.765 32.560 1.00 0.00 C ATOM 552 C ILE A 36 85.030 -5.053 33.481 1.00 0.00 C ATOM 553 O ILE A 36 84.922 -4.512 34.562 1.00 0.00 O ATOM 554 CB ILE A 36 85.800 -3.819 31.429 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.030 -3.492 30.574 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.236 -2.523 32.024 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.600 -2.763 29.299 1.00 0.00 C ATOM 0 H ILE A 36 86.633 -6.132 30.972 1.00 0.00 H new ATOM 0 HA ILE A 36 87.012 -4.286 33.127 1.00 0.00 H new ATOM 0 HB ILE A 36 85.037 -4.296 30.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.724 -2.872 31.142 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.560 -4.409 30.318 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.942 -1.851 31.218 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.367 -2.754 32.640 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.998 -2.042 32.637 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.479 -2.534 28.697 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.924 -3.398 28.727 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.090 -1.837 29.564 1.00 0.00 H new ATOM 569 N VAL A 37 84.161 -5.938 33.073 1.00 0.00 N ATOM 570 CA VAL A 37 83.008 -6.304 33.937 1.00 0.00 C ATOM 571 C VAL A 37 83.544 -7.037 35.167 1.00 0.00 C ATOM 572 O VAL A 37 83.086 -6.840 36.274 1.00 0.00 O ATOM 573 CB VAL A 37 82.054 -7.218 33.160 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.001 -7.798 34.110 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.356 -6.405 32.067 1.00 0.00 C ATOM 0 H VAL A 37 84.202 -6.423 32.177 1.00 0.00 H new ATOM 0 HA VAL A 37 82.465 -5.410 34.243 1.00 0.00 H new ATOM 0 HB VAL A 37 82.621 -8.033 32.711 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.326 -8.447 33.552 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.495 -8.375 34.892 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.432 -6.986 34.562 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.676 -7.051 31.511 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.792 -5.591 32.523 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.102 -5.993 31.387 1.00 0.00 H new ATOM 585 N ALA A 38 84.520 -7.884 34.972 1.00 0.00 N ATOM 586 CA ALA A 38 85.103 -8.641 36.116 1.00 0.00 C ATOM 587 C ALA A 38 85.649 -7.660 37.158 1.00 0.00 C ATOM 588 O ALA A 38 85.812 -7.997 38.313 1.00 0.00 O ATOM 589 CB ALA A 38 86.236 -9.541 35.606 1.00 0.00 C ATOM 0 H ALA A 38 84.940 -8.084 34.064 1.00 0.00 H new ATOM 0 HA ALA A 38 84.331 -9.257 36.576 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.664 -10.096 36.441 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.841 -10.241 34.870 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.009 -8.927 35.144 1.00 0.00 H new ATOM 595 N SER A 39 85.933 -6.446 36.761 1.00 0.00 N ATOM 596 CA SER A 39 86.470 -5.450 37.735 1.00 0.00 C ATOM 597 C SER A 39 85.302 -4.752 38.423 1.00 0.00 C ATOM 598 O SER A 39 85.262 -4.625 39.630 1.00 0.00 O ATOM 599 CB SER A 39 87.308 -4.409 36.992 1.00 0.00 C ATOM 600 OG SER A 39 88.297 -5.070 36.213 1.00 0.00 O ATOM 0 H SER A 39 85.817 -6.103 35.808 1.00 0.00 H new ATOM 0 HA SER A 39 87.091 -5.957 38.474 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.669 -3.802 36.350 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.781 -3.732 37.703 1.00 0.00 H new ATOM 0 HG SER A 39 87.866 -5.549 35.475 1.00 0.00 H new ATOM 606 N CYS A 40 84.342 -4.311 37.664 1.00 0.00 N ATOM 607 CA CYS A 40 83.170 -3.639 38.279 1.00 0.00 C ATOM 608 C CYS A 40 82.527 -4.610 39.271 1.00 0.00 C ATOM 609 O CYS A 40 82.213 -5.734 38.937 1.00 0.00 O ATOM 610 CB CYS A 40 82.169 -3.268 37.186 1.00 0.00 C ATOM 611 SG CYS A 40 81.020 -2.018 37.813 1.00 0.00 S ATOM 0 H CYS A 40 84.319 -4.387 36.647 1.00 0.00 H new ATOM 0 HA CYS A 40 83.478 -2.730 38.797 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.695 -2.886 36.311 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.620 -4.154 36.866 1.00 0.00 H new ATOM 0 HG CYS A 40 80.171 -1.702 36.881 1.00 0.00 H new ATOM 616 N ASP A 41 82.344 -4.194 40.489 1.00 0.00 N ATOM 617 CA ASP A 41 81.740 -5.106 41.498 1.00 0.00 C ATOM 618 C ASP A 41 80.225 -5.176 41.295 1.00 0.00 C ATOM 619 O ASP A 41 79.586 -6.145 41.653 1.00 0.00 O ATOM 620 CB ASP A 41 82.045 -4.570 42.898 1.00 0.00 C ATOM 621 CG ASP A 41 83.538 -4.740 43.192 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.159 -5.565 42.542 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.034 -4.039 44.058 1.00 0.00 O ATOM 0 H ASP A 41 82.585 -3.264 40.831 1.00 0.00 H new ATOM 0 HA ASP A 41 82.159 -6.106 41.384 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.767 -3.518 42.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.453 -5.104 43.641 1.00 0.00 H new ATOM 628 N LYS A 42 79.642 -4.152 40.736 1.00 0.00 N ATOM 629 CA LYS A 42 78.167 -4.158 40.525 1.00 0.00 C ATOM 630 C LYS A 42 77.792 -5.072 39.350 1.00 0.00 C ATOM 631 O LYS A 42 76.844 -5.827 39.423 1.00 0.00 O ATOM 632 CB LYS A 42 77.705 -2.730 40.229 1.00 0.00 C ATOM 633 CG LYS A 42 77.893 -1.868 41.479 1.00 0.00 C ATOM 634 CD LYS A 42 77.433 -0.437 41.193 1.00 0.00 C ATOM 635 CE LYS A 42 77.622 0.425 42.444 1.00 0.00 C ATOM 636 NZ LYS A 42 79.059 0.428 42.842 1.00 0.00 N ATOM 0 H LYS A 42 80.123 -3.311 40.416 1.00 0.00 H new ATOM 0 HA LYS A 42 77.679 -4.534 41.424 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.276 -2.316 39.398 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.658 -2.730 39.927 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.322 -2.285 42.309 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.941 -1.870 41.780 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.003 -0.020 40.363 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.385 -0.435 40.893 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.287 1.444 42.249 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.010 0.039 43.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.245 1.239 43.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.282 -0.455 43.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.654 0.502 41.993 1.00 0.00 H new ATOM 650 N CYS A 43 78.515 -5.002 38.261 1.00 0.00 N ATOM 651 CA CYS A 43 78.177 -5.862 37.086 1.00 0.00 C ATOM 652 C CYS A 43 78.747 -7.276 37.260 1.00 0.00 C ATOM 653 O CYS A 43 78.213 -8.231 36.734 1.00 0.00 O ATOM 654 CB CYS A 43 78.739 -5.238 35.805 1.00 0.00 C ATOM 655 SG CYS A 43 77.984 -3.613 35.542 1.00 0.00 S ATOM 0 H CYS A 43 79.321 -4.390 38.135 1.00 0.00 H new ATOM 0 HA CYS A 43 77.092 -5.931 37.015 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.822 -5.140 35.881 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.537 -5.887 34.953 1.00 0.00 H new ATOM 0 HG CYS A 43 78.463 -3.083 34.456 1.00 0.00 H new ATOM 660 N GLN A 44 79.833 -7.424 37.973 1.00 0.00 N ATOM 661 CA GLN A 44 80.425 -8.787 38.139 1.00 0.00 C ATOM 662 C GLN A 44 79.527 -9.653 39.025 1.00 0.00 C ATOM 663 O GLN A 44 79.084 -10.712 38.627 1.00 0.00 O ATOM 664 CB GLN A 44 81.813 -8.680 38.779 1.00 0.00 C ATOM 665 CG GLN A 44 82.427 -10.082 38.880 1.00 0.00 C ATOM 666 CD GLN A 44 83.882 -9.991 39.343 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.740 -10.674 38.818 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.201 -9.178 40.311 1.00 0.00 N ATOM 0 H GLN A 44 80.332 -6.669 38.444 1.00 0.00 H new ATOM 0 HA GLN A 44 80.510 -9.248 37.155 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.454 -8.031 38.182 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.737 -8.230 39.769 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.853 -10.689 39.580 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.377 -10.579 37.911 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.483 -8.604 40.753 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.169 -9.116 40.627 1.00 0.00 H new ATOM 677 N LEU A 45 79.257 -9.218 40.223 1.00 0.00 N ATOM 678 CA LEU A 45 78.391 -10.027 41.132 1.00 0.00 C ATOM 679 C LEU A 45 76.922 -9.742 40.810 1.00 0.00 C ATOM 680 O LEU A 45 76.531 -8.608 40.615 1.00 0.00 O ATOM 681 CB LEU A 45 78.668 -9.634 42.587 1.00 0.00 C ATOM 682 CG LEU A 45 80.142 -9.881 42.932 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.399 -9.430 44.373 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.480 -11.377 42.792 1.00 0.00 C ATOM 0 H LEU A 45 79.596 -8.339 40.614 1.00 0.00 H new ATOM 0 HA LEU A 45 78.605 -11.086 40.992 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.422 -8.583 42.740 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.029 -10.211 43.255 1.00 0.00 H new ATOM 0 HG LEU A 45 80.772 -9.315 42.246 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.445 -9.602 44.627 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.172 -8.368 44.468 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.763 -9.999 45.051 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.529 -11.538 43.040 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.854 -11.957 43.471 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.296 -11.697 41.766 1.00 0.00 H new ATOM 839 N PHE B 1 95.681 -12.222 23.570 1.00 0.00 N ATOM 840 CA PHE B 1 94.748 -13.125 22.836 1.00 0.00 C ATOM 841 C PHE B 1 95.523 -14.338 22.333 1.00 0.00 C ATOM 842 O PHE B 1 95.599 -14.599 21.148 1.00 0.00 O ATOM 843 CB PHE B 1 94.159 -12.377 21.645 1.00 0.00 C ATOM 844 CG PHE B 1 93.803 -10.967 22.054 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.609 -10.711 22.739 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.668 -9.912 21.739 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.282 -9.398 23.110 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.342 -8.601 22.109 1.00 0.00 C ATOM 849 CZ PHE B 1 93.149 -8.345 22.793 1.00 0.00 C ATOM 0 H1 PHE B 1 95.612 -11.260 23.180 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.427 -12.205 24.578 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.655 -12.570 23.465 1.00 0.00 H new ATOM 0 HA PHE B 1 93.946 -13.447 23.500 1.00 0.00 H new ATOM 0 HB2 PHE B 1 94.876 -12.358 20.825 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.272 -12.895 21.281 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.940 -11.524 22.982 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.588 -10.109 21.210 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.362 -9.200 23.640 1.00 0.00 H new ATOM 0 HE2 PHE B 1 95.011 -7.789 21.866 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.896 -7.334 23.077 1.00 0.00 H new ATOM 861 N LEU B 2 96.113 -15.069 23.227 1.00 0.00 N ATOM 862 CA LEU B 2 96.911 -16.265 22.827 1.00 0.00 C ATOM 863 C LEU B 2 96.064 -17.528 22.910 1.00 0.00 C ATOM 864 O LEU B 2 95.241 -17.682 23.783 1.00 0.00 O ATOM 865 CB LEU B 2 98.119 -16.400 23.760 1.00 0.00 C ATOM 866 CG LEU B 2 98.998 -15.146 23.668 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.126 -15.244 24.700 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.600 -15.019 22.256 1.00 0.00 C ATOM 0 H LEU B 2 96.080 -14.892 24.231 1.00 0.00 H new ATOM 0 HA LEU B 2 97.245 -16.137 21.798 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.781 -16.543 24.787 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.700 -17.282 23.490 1.00 0.00 H new ATOM 0 HG LEU B 2 98.387 -14.266 23.870 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.754 -14.355 24.639 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.699 -15.318 25.700 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.729 -16.129 24.497 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.221 -14.125 22.204 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.209 -15.897 22.040 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.796 -14.945 21.523 1.00 0.00 H new ATOM 880 N ASP B 3 96.275 -18.445 22.011 1.00 0.00 N ATOM 881 CA ASP B 3 95.498 -19.711 22.052 1.00 0.00 C ATOM 882 C ASP B 3 95.781 -20.385 23.383 1.00 0.00 C ATOM 883 O ASP B 3 94.905 -20.926 24.029 1.00 0.00 O ATOM 884 CB ASP B 3 95.970 -20.628 20.930 1.00 0.00 C ATOM 885 CG ASP B 3 97.484 -20.819 21.031 1.00 0.00 C ATOM 886 OD1 ASP B 3 98.162 -19.860 21.358 1.00 0.00 O ATOM 887 OD2 ASP B 3 97.939 -21.924 20.783 1.00 0.00 O ATOM 0 H ASP B 3 96.951 -18.373 21.251 1.00 0.00 H new ATOM 0 HA ASP B 3 94.433 -19.509 21.934 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.466 -21.592 20.997 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.710 -20.199 19.962 1.00 0.00 H new ATOM 892 N GLY B 4 97.010 -20.335 23.798 1.00 0.00 N ATOM 893 CA GLY B 4 97.392 -20.948 25.100 1.00 0.00 C ATOM 894 C GLY B 4 96.406 -20.488 26.175 1.00 0.00 C ATOM 895 O GLY B 4 96.331 -21.056 27.246 1.00 0.00 O ATOM 0 H GLY B 4 97.775 -19.893 23.289 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.383 -22.035 25.021 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.407 -20.656 25.370 1.00 0.00 H new ATOM 899 N ILE B 5 95.633 -19.470 25.891 1.00 0.00 N ATOM 900 CA ILE B 5 94.642 -18.993 26.895 1.00 0.00 C ATOM 901 C ILE B 5 93.677 -20.139 27.207 1.00 0.00 C ATOM 902 O ILE B 5 93.356 -20.399 28.349 1.00 0.00 O ATOM 903 CB ILE B 5 93.880 -17.778 26.339 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.805 -16.557 26.323 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.659 -17.479 27.216 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.173 -15.443 25.478 1.00 0.00 C ATOM 0 H ILE B 5 95.647 -18.953 25.012 1.00 0.00 H new ATOM 0 HA ILE B 5 95.149 -18.686 27.810 1.00 0.00 H new ATOM 0 HB ILE B 5 93.548 -18.000 25.325 1.00 0.00 H new ATOM 0 HG12 ILE B 5 94.975 -16.204 27.340 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.778 -16.830 25.914 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.125 -16.617 26.815 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.996 -18.344 27.224 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.986 -17.262 28.233 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.833 -14.575 25.468 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.026 -15.799 24.458 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.211 -15.162 25.907 1.00 0.00 H new ATOM 918 N ASP B 6 93.237 -20.847 26.204 1.00 0.00 N ATOM 919 CA ASP B 6 92.322 -21.997 26.451 1.00 0.00 C ATOM 920 C ASP B 6 93.075 -23.031 27.288 1.00 0.00 C ATOM 921 O ASP B 6 92.537 -23.637 28.192 1.00 0.00 O ATOM 922 CB ASP B 6 91.906 -22.622 25.118 1.00 0.00 C ATOM 923 CG ASP B 6 90.975 -21.664 24.373 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.292 -20.899 25.033 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.967 -21.707 23.154 1.00 0.00 O ATOM 0 H ASP B 6 93.471 -20.680 25.225 1.00 0.00 H new ATOM 0 HA ASP B 6 91.427 -21.661 26.976 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.787 -22.833 24.513 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.403 -23.573 25.292 1.00 0.00 H new ATOM 930 N LYS B 7 94.326 -23.225 26.982 1.00 0.00 N ATOM 931 CA LYS B 7 95.150 -24.204 27.741 1.00 0.00 C ATOM 932 C LYS B 7 95.273 -23.740 29.192 1.00 0.00 C ATOM 933 O LYS B 7 95.227 -24.529 30.116 1.00 0.00 O ATOM 934 CB LYS B 7 96.543 -24.282 27.112 1.00 0.00 C ATOM 935 CG LYS B 7 97.378 -25.340 27.836 1.00 0.00 C ATOM 936 CD LYS B 7 98.768 -25.411 27.203 1.00 0.00 C ATOM 937 CE LYS B 7 99.590 -26.486 27.912 1.00 0.00 C ATOM 938 NZ LYS B 7 99.009 -27.825 27.616 1.00 0.00 N ATOM 0 H LYS B 7 94.818 -22.742 26.230 1.00 0.00 H new ATOM 0 HA LYS B 7 94.679 -25.186 27.711 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.461 -24.531 26.054 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.035 -23.311 27.174 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.461 -25.092 28.894 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.888 -26.312 27.773 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.685 -25.641 26.141 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.266 -24.445 27.282 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.627 -26.445 27.579 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.593 -26.308 28.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.723 -28.560 27.795 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 98.183 -27.988 28.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.715 -27.863 26.619 1.00 0.00 H new ATOM 952 N ALA B 8 95.439 -22.463 29.399 1.00 0.00 N ATOM 953 CA ALA B 8 95.578 -21.940 30.787 1.00 0.00 C ATOM 954 C ALA B 8 94.339 -22.313 31.604 1.00 0.00 C ATOM 955 O ALA B 8 94.425 -22.580 32.786 1.00 0.00 O ATOM 956 CB ALA B 8 95.725 -20.418 30.744 1.00 0.00 C ATOM 0 H ALA B 8 95.484 -21.757 28.664 1.00 0.00 H new ATOM 0 HA ALA B 8 96.461 -22.378 31.253 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.827 -20.033 31.759 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.610 -20.154 30.165 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.843 -19.980 30.277 1.00 0.00 H new ATOM 962 N GLN B 9 93.189 -22.337 30.989 1.00 0.00 N ATOM 963 CA GLN B 9 91.954 -22.699 31.743 1.00 0.00 C ATOM 964 C GLN B 9 92.109 -24.111 32.311 1.00 0.00 C ATOM 965 O GLN B 9 91.754 -24.382 33.441 1.00 0.00 O ATOM 966 CB GLN B 9 90.754 -22.676 30.791 1.00 0.00 C ATOM 967 CG GLN B 9 90.438 -21.236 30.387 1.00 0.00 C ATOM 968 CD GLN B 9 89.240 -21.229 29.435 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.304 -21.983 29.612 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.225 -20.396 28.429 1.00 0.00 N ATOM 0 H GLN B 9 93.050 -22.123 30.001 1.00 0.00 H new ATOM 0 HA GLN B 9 91.798 -21.986 32.553 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.970 -23.272 29.905 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.887 -23.126 31.274 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.218 -20.638 31.271 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.304 -20.783 29.904 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.010 -19.763 28.280 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.428 -20.379 27.793 1.00 0.00 H new ATOM 979 N GLU B 10 92.638 -25.009 31.529 1.00 0.00 N ATOM 980 CA GLU B 10 92.828 -26.410 32.001 1.00 0.00 C ATOM 981 C GLU B 10 93.766 -26.432 33.211 1.00 0.00 C ATOM 982 O GLU B 10 93.571 -27.180 34.148 1.00 0.00 O ATOM 983 CB GLU B 10 93.424 -27.245 30.864 1.00 0.00 C ATOM 984 CG GLU B 10 93.556 -28.705 31.302 1.00 0.00 C ATOM 985 CD GLU B 10 94.135 -29.529 30.149 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.241 -28.990 29.060 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.456 -30.684 30.373 1.00 0.00 O ATOM 0 H GLU B 10 92.950 -24.832 30.574 1.00 0.00 H new ATOM 0 HA GLU B 10 91.866 -26.828 32.297 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.789 -27.178 29.981 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.401 -26.850 30.585 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.203 -28.777 32.176 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.582 -29.099 31.592 1.00 0.00 H new ATOM 994 N GLU B 11 94.796 -25.630 33.187 1.00 0.00 N ATOM 995 CA GLU B 11 95.771 -25.613 34.320 1.00 0.00 C ATOM 996 C GLU B 11 95.372 -24.548 35.345 1.00 0.00 C ATOM 997 O GLU B 11 96.097 -24.276 36.282 1.00 0.00 O ATOM 998 CB GLU B 11 97.165 -25.291 33.775 1.00 0.00 C ATOM 999 CG GLU B 11 97.669 -26.474 32.945 1.00 0.00 C ATOM 1000 CD GLU B 11 99.062 -26.157 32.398 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.504 -25.033 32.573 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.665 -27.045 31.818 1.00 0.00 O ATOM 0 H GLU B 11 95.007 -24.982 32.428 1.00 0.00 H new ATOM 0 HA GLU B 11 95.774 -26.589 34.805 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.129 -24.391 33.162 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.852 -25.090 34.597 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.704 -27.374 33.559 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.981 -26.675 32.124 1.00 0.00 H new ATOM 1009 N CYS B 12 94.228 -23.946 35.183 1.00 0.00 N ATOM 1010 CA CYS B 12 93.794 -22.906 36.160 1.00 0.00 C ATOM 1011 C CYS B 12 93.918 -23.467 37.580 1.00 0.00 C ATOM 1012 O CYS B 12 94.321 -22.781 38.499 1.00 0.00 O ATOM 1013 CB CYS B 12 92.336 -22.524 35.888 1.00 0.00 C ATOM 1014 SG CYS B 12 91.854 -21.168 36.986 1.00 0.00 S ATOM 0 H CYS B 12 93.576 -24.127 34.420 1.00 0.00 H new ATOM 0 HA CYS B 12 94.424 -22.022 36.058 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.215 -22.224 34.847 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.687 -23.385 36.049 1.00 0.00 H new ATOM 0 HG CYS B 12 90.617 -20.841 36.755 1.00 0.00 H new ATOM 1019 N GLU B 13 93.564 -24.709 37.764 1.00 0.00 N ATOM 1020 CA GLU B 13 93.645 -25.331 39.118 1.00 0.00 C ATOM 1021 C GLU B 13 95.090 -25.317 39.632 1.00 0.00 C ATOM 1022 O GLU B 13 95.336 -25.118 40.804 1.00 0.00 O ATOM 1023 CB GLU B 13 93.157 -26.779 39.043 1.00 0.00 C ATOM 1024 CG GLU B 13 91.647 -26.799 38.799 1.00 0.00 C ATOM 1025 CD GLU B 13 91.162 -28.248 38.725 1.00 0.00 C ATOM 1026 OE1 GLU B 13 92.000 -29.135 38.736 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.960 -28.447 38.663 1.00 0.00 O ATOM 0 H GLU B 13 93.219 -25.326 37.028 1.00 0.00 H new ATOM 0 HA GLU B 13 93.019 -24.758 39.802 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.672 -27.306 38.240 1.00 0.00 H new ATOM 0 HB3 GLU B 13 93.393 -27.301 39.970 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.131 -26.272 39.602 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.411 -26.277 37.872 1.00 0.00 H new ATOM 1034 N LYS B 14 96.046 -25.561 38.775 1.00 0.00 N ATOM 1035 CA LYS B 14 97.467 -25.595 39.231 1.00 0.00 C ATOM 1036 C LYS B 14 97.875 -24.236 39.808 1.00 0.00 C ATOM 1037 O LYS B 14 98.578 -24.162 40.797 1.00 0.00 O ATOM 1038 CB LYS B 14 98.376 -25.937 38.048 1.00 0.00 C ATOM 1039 CG LYS B 14 98.144 -27.392 37.628 1.00 0.00 C ATOM 1040 CD LYS B 14 99.051 -27.735 36.444 1.00 0.00 C ATOM 1041 CE LYS B 14 98.818 -29.188 36.027 1.00 0.00 C ATOM 1042 NZ LYS B 14 97.374 -29.389 35.715 1.00 0.00 N ATOM 0 H LYS B 14 95.905 -25.738 37.780 1.00 0.00 H new ATOM 0 HA LYS B 14 97.568 -26.354 40.007 1.00 0.00 H new ATOM 0 HB2 LYS B 14 98.169 -25.269 37.212 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.420 -25.789 38.324 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.352 -28.060 38.464 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.099 -27.540 37.354 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.843 -27.068 35.608 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.096 -27.587 36.718 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.427 -29.430 35.156 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.125 -29.861 36.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 97.265 -30.218 35.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 96.846 -29.544 36.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 97.002 -28.546 35.233 1.00 0.00 H new ATOM 1056 N TYR B 15 97.452 -23.157 39.203 1.00 0.00 N ATOM 1057 CA TYR B 15 97.832 -21.810 39.730 1.00 0.00 C ATOM 1058 C TYR B 15 96.796 -21.350 40.761 1.00 0.00 C ATOM 1059 O TYR B 15 97.012 -20.400 41.488 1.00 0.00 O ATOM 1060 CB TYR B 15 97.889 -20.807 38.574 1.00 0.00 C ATOM 1061 CG TYR B 15 98.952 -21.236 37.591 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.275 -20.809 37.760 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.618 -22.065 36.512 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.261 -21.209 36.851 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.605 -22.466 35.605 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.927 -22.037 35.773 1.00 0.00 C ATOM 1067 OH TYR B 15 101.900 -22.432 34.878 1.00 0.00 O ATOM 0 H TYR B 15 96.863 -23.148 38.371 1.00 0.00 H new ATOM 0 HA TYR B 15 98.811 -21.870 40.206 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.920 -20.752 38.078 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.110 -19.810 38.954 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.534 -20.171 38.592 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.598 -22.395 36.380 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.281 -20.878 36.981 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.347 -23.107 34.775 1.00 0.00 H new ATOM 0 HH TYR B 15 102.764 -22.058 35.148 1.00 0.00 H new ATOM 1077 N HIS B 16 95.675 -22.018 40.831 1.00 0.00 N ATOM 1078 CA HIS B 16 94.628 -21.626 41.819 1.00 0.00 C ATOM 1079 C HIS B 16 94.207 -20.176 41.573 1.00 0.00 C ATOM 1080 O HIS B 16 93.991 -19.760 40.453 1.00 0.00 O ATOM 1081 CB HIS B 16 95.176 -21.768 43.242 1.00 0.00 C ATOM 1082 CG HIS B 16 95.902 -23.079 43.373 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.239 -24.299 43.335 1.00 0.00 N ATOM 1084 CD2 HIS B 16 97.232 -23.379 43.544 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.164 -25.267 43.479 1.00 0.00 C ATOM 1086 NE2 HIS B 16 97.391 -24.758 43.610 1.00 0.00 N ATOM 0 H HIS B 16 95.439 -22.819 40.246 1.00 0.00 H new ATOM 0 HA HIS B 16 93.763 -22.279 41.702 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.851 -20.942 43.467 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.361 -21.718 43.964 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.030 -22.655 43.616 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.941 -26.324 43.487 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.263 -25.273 43.733 1.00 0.00 H new ATOM 1095 N SER B 17 94.089 -19.403 42.620 1.00 0.00 N ATOM 1096 CA SER B 17 93.682 -17.976 42.463 1.00 0.00 C ATOM 1097 C SER B 17 94.915 -17.109 42.198 1.00 0.00 C ATOM 1098 O SER B 17 94.814 -15.909 42.040 1.00 0.00 O ATOM 1099 CB SER B 17 92.995 -17.498 43.742 1.00 0.00 C ATOM 1100 OG SER B 17 91.844 -18.296 43.984 1.00 0.00 O ATOM 0 H SER B 17 94.258 -19.700 43.581 1.00 0.00 H new ATOM 0 HA SER B 17 92.994 -17.892 41.622 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.683 -17.566 44.585 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.711 -16.450 43.646 1.00 0.00 H new ATOM 0 HG SER B 17 91.402 -17.993 44.805 1.00 0.00 H new ATOM 1106 N ASN B 18 96.082 -17.698 42.151 1.00 0.00 N ATOM 1107 CA ASN B 18 97.306 -16.885 41.899 1.00 0.00 C ATOM 1108 C ASN B 18 97.420 -16.605 40.403 1.00 0.00 C ATOM 1109 O ASN B 18 98.153 -17.261 39.690 1.00 0.00 O ATOM 1110 CB ASN B 18 98.547 -17.651 42.363 1.00 0.00 C ATOM 1111 CG ASN B 18 98.563 -17.727 43.890 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.899 -16.959 44.557 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.316 -18.618 44.476 1.00 0.00 N ATOM 0 H ASN B 18 96.239 -18.698 42.275 1.00 0.00 H new ATOM 0 HA ASN B 18 97.236 -15.948 42.451 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.546 -18.655 41.939 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.448 -17.154 42.004 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.347 -18.669 45.494 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.873 -19.263 43.916 1.00 0.00 H new ATOM 1120 N TRP B 19 96.697 -15.633 39.923 1.00 0.00 N ATOM 1121 CA TRP B 19 96.757 -15.304 38.474 1.00 0.00 C ATOM 1122 C TRP B 19 98.116 -14.681 38.142 1.00 0.00 C ATOM 1123 O TRP B 19 98.584 -14.755 37.024 1.00 0.00 O ATOM 1124 CB TRP B 19 95.641 -14.312 38.133 1.00 0.00 C ATOM 1125 CG TRP B 19 95.819 -13.064 38.936 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.281 -12.837 40.157 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.587 -11.873 38.601 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.663 -11.578 40.586 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.471 -10.947 39.663 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.364 -11.513 37.488 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.104 -9.703 39.621 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.004 -10.266 37.442 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.875 -9.361 38.507 1.00 0.00 C ATOM 0 H TRP B 19 96.066 -15.051 40.474 1.00 0.00 H new ATOM 0 HA TRP B 19 96.628 -16.215 37.889 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.661 -14.078 37.069 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.668 -14.757 38.343 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.656 -13.525 40.706 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.381 -11.167 41.476 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.469 -12.201 36.662 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.998 -9.011 40.443 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.600 -10.000 36.581 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.371 -8.402 38.466 1.00 0.00 H new ATOM 1144 N ARG B 20 98.753 -14.060 39.102 1.00 0.00 N ATOM 1145 CA ARG B 20 100.076 -13.428 38.826 1.00 0.00 C ATOM 1146 C ARG B 20 101.078 -14.485 38.362 1.00 0.00 C ATOM 1147 O ARG B 20 101.852 -14.260 37.453 1.00 0.00 O ATOM 1148 CB ARG B 20 100.607 -12.756 40.095 1.00 0.00 C ATOM 1149 CG ARG B 20 99.759 -11.524 40.413 1.00 0.00 C ATOM 1150 CD ARG B 20 100.296 -10.837 41.671 1.00 0.00 C ATOM 1151 NE ARG B 20 99.433 -9.665 41.996 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.507 -9.103 43.173 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.313 -9.584 44.079 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.768 -8.060 43.443 1.00 0.00 N ATOM 0 H ARG B 20 98.415 -13.964 40.060 1.00 0.00 H new ATOM 0 HA ARG B 20 99.948 -12.682 38.042 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.577 -13.456 40.930 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.649 -12.468 39.958 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.778 -10.831 39.572 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.719 -11.815 40.562 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.308 -11.538 42.506 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.325 -10.513 41.512 1.00 0.00 H new ATOM 0 HE ARG B 20 98.784 -9.302 41.298 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.887 -10.401 43.869 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.369 -9.144 44.997 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.135 -7.686 42.736 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.824 -7.619 44.361 1.00 0.00 H new ATOM 1168 N ALA B 21 101.078 -15.634 38.975 1.00 0.00 N ATOM 1169 CA ALA B 21 102.041 -16.688 38.555 1.00 0.00 C ATOM 1170 C ALA B 21 101.680 -17.168 37.148 1.00 0.00 C ATOM 1171 O ALA B 21 102.534 -17.334 36.300 1.00 0.00 O ATOM 1172 CB ALA B 21 101.974 -17.861 39.536 1.00 0.00 C ATOM 0 H ALA B 21 100.458 -15.888 39.744 1.00 0.00 H new ATOM 0 HA ALA B 21 103.053 -16.282 38.551 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.679 -18.633 39.229 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.230 -17.513 40.537 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.965 -18.273 39.542 1.00 0.00 H new ATOM 1178 N MET B 22 100.418 -17.385 36.892 1.00 0.00 N ATOM 1179 CA MET B 22 100.001 -17.845 35.538 1.00 0.00 C ATOM 1180 C MET B 22 100.366 -16.779 34.501 1.00 0.00 C ATOM 1181 O MET B 22 100.873 -17.077 33.441 1.00 0.00 O ATOM 1182 CB MET B 22 98.488 -18.081 35.525 1.00 0.00 C ATOM 1183 CG MET B 22 98.059 -18.623 34.159 1.00 0.00 C ATOM 1184 SD MET B 22 96.277 -18.947 34.171 1.00 0.00 S ATOM 1185 CE MET B 22 95.722 -17.236 34.368 1.00 0.00 C ATOM 0 H MET B 22 99.659 -17.263 37.562 1.00 0.00 H new ATOM 0 HA MET B 22 100.514 -18.775 35.294 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.214 -18.787 36.309 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.964 -17.149 35.738 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.303 -17.904 33.377 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.605 -19.539 33.931 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.677 -17.155 34.067 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.823 -16.939 35.412 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.331 -16.582 33.744 1.00 0.00 H new ATOM 1195 N ALA B 23 100.111 -15.534 34.800 1.00 0.00 N ATOM 1196 CA ALA B 23 100.440 -14.452 33.830 1.00 0.00 C ATOM 1197 C ALA B 23 101.939 -14.469 33.525 1.00 0.00 C ATOM 1198 O ALA B 23 102.357 -14.280 32.400 1.00 0.00 O ATOM 1199 CB ALA B 23 100.063 -13.099 34.435 1.00 0.00 C ATOM 0 H ALA B 23 99.689 -15.220 35.674 1.00 0.00 H new ATOM 0 HA ALA B 23 99.882 -14.612 32.908 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.302 -12.305 33.728 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.995 -13.082 34.652 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.623 -12.944 35.357 1.00 0.00 H new ATOM 1205 N SER B 24 102.752 -14.688 34.520 1.00 0.00 N ATOM 1206 CA SER B 24 104.223 -14.709 34.289 1.00 0.00 C ATOM 1207 C SER B 24 104.587 -15.860 33.349 1.00 0.00 C ATOM 1208 O SER B 24 105.434 -15.726 32.488 1.00 0.00 O ATOM 1209 CB SER B 24 104.943 -14.901 35.624 1.00 0.00 C ATOM 1210 OG SER B 24 104.725 -13.759 36.443 1.00 0.00 O ATOM 0 H SER B 24 102.461 -14.853 35.484 1.00 0.00 H new ATOM 0 HA SER B 24 104.528 -13.765 33.837 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.575 -15.797 36.124 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.011 -15.045 35.457 1.00 0.00 H new ATOM 0 HG SER B 24 103.820 -13.793 36.817 1.00 0.00 H new ATOM 1216 N ASP B 25 103.962 -16.993 33.511 1.00 0.00 N ATOM 1217 CA ASP B 25 104.284 -18.153 32.630 1.00 0.00 C ATOM 1218 C ASP B 25 103.779 -17.903 31.209 1.00 0.00 C ATOM 1219 O ASP B 25 104.439 -18.227 30.241 1.00 0.00 O ATOM 1220 CB ASP B 25 103.616 -19.410 33.185 1.00 0.00 C ATOM 1221 CG ASP B 25 104.304 -19.825 34.484 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.362 -19.289 34.769 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.761 -20.671 35.174 1.00 0.00 O ATOM 0 H ASP B 25 103.243 -17.167 34.214 1.00 0.00 H new ATOM 0 HA ASP B 25 105.366 -18.283 32.603 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.558 -19.222 33.366 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.676 -20.218 32.456 1.00 0.00 H new ATOM 1228 N PHE B 26 102.615 -17.328 31.073 1.00 0.00 N ATOM 1229 CA PHE B 26 102.061 -17.056 29.710 1.00 0.00 C ATOM 1230 C PHE B 26 102.392 -15.619 29.295 1.00 0.00 C ATOM 1231 O PHE B 26 102.045 -15.181 28.217 1.00 0.00 O ATOM 1232 CB PHE B 26 100.543 -17.265 29.720 1.00 0.00 C ATOM 1233 CG PHE B 26 100.241 -18.745 29.826 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.111 -19.517 28.662 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.097 -19.349 31.082 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.838 -20.887 28.756 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.825 -20.720 31.174 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.694 -21.488 30.012 1.00 0.00 C ATOM 0 H PHE B 26 102.020 -17.033 31.847 1.00 0.00 H new ATOM 0 HA PHE B 26 102.509 -17.744 28.993 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.097 -16.730 30.558 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.102 -16.857 28.810 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.222 -19.054 27.692 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.196 -18.757 31.980 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.738 -21.480 27.859 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.716 -21.185 32.143 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.482 -22.544 30.084 1.00 0.00 H new ATOM 1248 N ASN B 27 103.068 -14.886 30.139 1.00 0.00 N ATOM 1249 CA ASN B 27 103.429 -13.483 29.784 1.00 0.00 C ATOM 1250 C ASN B 27 102.182 -12.734 29.310 1.00 0.00 C ATOM 1251 O ASN B 27 102.207 -12.035 28.317 1.00 0.00 O ATOM 1252 CB ASN B 27 104.474 -13.495 28.665 1.00 0.00 C ATOM 1253 CG ASN B 27 105.724 -14.239 29.140 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.127 -14.088 30.371 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.335 -14.968 28.384 1.00 0.00 N flip ATOM 0 H ASN B 27 103.385 -15.197 31.057 1.00 0.00 H new ATOM 0 HA ASN B 27 103.838 -12.982 30.661 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.066 -13.978 27.777 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.731 -12.474 28.382 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.018 -15.085 27.421 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.164 -15.463 28.712 1.00 0.00 H new ATOM 1262 N LEU B 28 101.089 -12.884 30.014 1.00 0.00 N ATOM 1263 CA LEU B 28 99.817 -12.198 29.621 1.00 0.00 C ATOM 1264 C LEU B 28 99.480 -11.096 30.646 1.00 0.00 C ATOM 1265 O LEU B 28 99.196 -11.397 31.789 1.00 0.00 O ATOM 1266 CB LEU B 28 98.684 -13.229 29.632 1.00 0.00 C ATOM 1267 CG LEU B 28 98.720 -14.084 28.357 1.00 0.00 C ATOM 1268 CD1 LEU B 28 97.762 -15.267 28.531 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.300 -13.244 27.125 1.00 0.00 C ATOM 0 H LEU B 28 101.021 -13.459 30.854 1.00 0.00 H new ATOM 0 HA LEU B 28 99.932 -11.757 28.631 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.776 -13.870 30.509 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.723 -12.721 29.709 1.00 0.00 H new ATOM 0 HG LEU B 28 99.735 -14.445 28.193 1.00 0.00 H new ATOM 0 HD11 LEU B 28 97.778 -15.883 27.632 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.075 -15.866 29.387 1.00 0.00 H new ATOM 0 HD13 LEU B 28 96.751 -14.895 28.698 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.332 -13.868 26.232 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.287 -12.868 27.269 1.00 0.00 H new ATOM 0 HD23 LEU B 28 98.985 -12.405 27.006 1.00 0.00 H new ATOM 1281 N PRO B 29 99.483 -9.833 30.264 1.00 0.00 N ATOM 1282 CA PRO B 29 99.141 -8.733 31.210 1.00 0.00 C ATOM 1283 C PRO B 29 97.861 -9.055 32.013 1.00 0.00 C ATOM 1284 O PRO B 29 96.987 -9.747 31.531 1.00 0.00 O ATOM 1285 CB PRO B 29 98.919 -7.526 30.291 1.00 0.00 C ATOM 1286 CG PRO B 29 99.796 -7.784 29.111 1.00 0.00 C ATOM 1287 CD PRO B 29 99.815 -9.307 28.923 1.00 0.00 C ATOM 0 HA PRO B 29 99.918 -8.567 31.956 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.873 -7.439 29.996 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.188 -6.594 30.789 1.00 0.00 H new ATOM 0 HG2 PRO B 29 99.410 -7.286 28.222 1.00 0.00 H new ATOM 0 HG3 PRO B 29 100.802 -7.399 29.281 1.00 0.00 H new ATOM 0 HD2 PRO B 29 99.088 -9.627 28.177 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.791 -9.656 28.587 1.00 0.00 H new ATOM 1295 N PRO B 30 97.750 -8.566 33.225 1.00 0.00 N ATOM 1296 CA PRO B 30 96.561 -8.821 34.087 1.00 0.00 C ATOM 1297 C PRO B 30 95.230 -8.790 33.318 1.00 0.00 C ATOM 1298 O PRO B 30 94.226 -9.288 33.788 1.00 0.00 O ATOM 1299 CB PRO B 30 96.604 -7.673 35.109 1.00 0.00 C ATOM 1300 CG PRO B 30 98.047 -7.265 35.209 1.00 0.00 C ATOM 1301 CD PRO B 30 98.744 -7.717 33.911 1.00 0.00 C ATOM 0 HA PRO B 30 96.604 -9.817 34.527 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.983 -6.838 34.785 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.222 -7.997 36.077 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.133 -6.186 35.335 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.517 -7.726 36.078 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.027 -6.863 33.296 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.658 -8.272 34.125 1.00 0.00 H new ATOM 1309 N VAL B 31 95.198 -8.180 32.167 1.00 0.00 N ATOM 1310 CA VAL B 31 93.912 -8.090 31.416 1.00 0.00 C ATOM 1311 C VAL B 31 93.369 -9.486 31.088 1.00 0.00 C ATOM 1312 O VAL B 31 92.232 -9.798 31.377 1.00 0.00 O ATOM 1313 CB VAL B 31 94.144 -7.320 30.111 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.892 -7.389 29.227 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.454 -5.856 30.434 1.00 0.00 C ATOM 0 H VAL B 31 96.000 -7.742 31.714 1.00 0.00 H new ATOM 0 HA VAL B 31 93.182 -7.571 32.038 1.00 0.00 H new ATOM 0 HB VAL B 31 94.983 -7.768 29.578 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.068 -6.839 28.303 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.669 -8.430 28.993 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.048 -6.948 29.757 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.619 -5.306 29.508 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.614 -5.416 30.972 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.350 -5.802 31.053 1.00 0.00 H new ATOM 1325 N VAL B 32 94.159 -10.322 30.474 1.00 0.00 N ATOM 1326 CA VAL B 32 93.661 -11.683 30.120 1.00 0.00 C ATOM 1327 C VAL B 32 93.717 -12.605 31.338 1.00 0.00 C ATOM 1328 O VAL B 32 92.847 -13.427 31.540 1.00 0.00 O ATOM 1329 CB VAL B 32 94.510 -12.273 28.997 1.00 0.00 C ATOM 1330 CG1 VAL B 32 93.946 -13.640 28.604 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.490 -11.334 27.783 1.00 0.00 C ATOM 0 H VAL B 32 95.122 -10.125 30.203 1.00 0.00 H new ATOM 0 HA VAL B 32 92.627 -11.597 29.787 1.00 0.00 H new ATOM 0 HB VAL B 32 95.538 -12.388 29.339 1.00 0.00 H new ATOM 0 HG11 VAL B 32 94.549 -14.066 27.802 1.00 0.00 H new ATOM 0 HG12 VAL B 32 93.969 -14.305 29.467 1.00 0.00 H new ATOM 0 HG13 VAL B 32 92.917 -13.525 28.262 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.097 -11.759 26.984 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.465 -11.212 27.434 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.894 -10.362 28.068 1.00 0.00 H new ATOM 1341 N ALA B 33 94.731 -12.488 32.152 1.00 0.00 N ATOM 1342 CA ALA B 33 94.815 -13.378 33.340 1.00 0.00 C ATOM 1343 C ALA B 33 93.582 -13.145 34.207 1.00 0.00 C ATOM 1344 O ALA B 33 92.925 -14.073 34.637 1.00 0.00 O ATOM 1345 CB ALA B 33 96.086 -13.062 34.133 1.00 0.00 C ATOM 0 H ALA B 33 95.496 -11.822 32.046 1.00 0.00 H new ATOM 0 HA ALA B 33 94.853 -14.421 33.027 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.144 -13.716 35.003 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.959 -13.222 33.500 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.061 -12.023 34.461 1.00 0.00 H new ATOM 1351 N LYS B 34 93.249 -11.911 34.447 1.00 0.00 N ATOM 1352 CA LYS B 34 92.043 -11.607 35.261 1.00 0.00 C ATOM 1353 C LYS B 34 90.804 -12.190 34.575 1.00 0.00 C ATOM 1354 O LYS B 34 89.911 -12.707 35.218 1.00 0.00 O ATOM 1355 CB LYS B 34 91.890 -10.086 35.391 1.00 0.00 C ATOM 1356 CG LYS B 34 92.998 -9.511 36.290 1.00 0.00 C ATOM 1357 CD LYS B 34 92.651 -9.719 37.772 1.00 0.00 C ATOM 1358 CE LYS B 34 93.644 -8.945 38.642 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.185 -8.970 40.060 1.00 0.00 N ATOM 0 H LYS B 34 93.763 -11.095 34.113 1.00 0.00 H new ATOM 0 HA LYS B 34 92.149 -12.049 36.252 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.936 -9.624 34.405 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.912 -9.847 35.810 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.948 -9.995 36.061 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.125 -8.448 36.086 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.635 -9.378 37.970 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.685 -10.780 38.019 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.637 -9.388 38.562 1.00 0.00 H new ATOM 0 HE3 LYS B 34 93.725 -7.916 38.293 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.859 -8.444 40.652 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.246 -8.528 40.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.129 -9.955 40.390 1.00 0.00 H new ATOM 1373 N GLU B 35 90.735 -12.093 33.275 1.00 0.00 N ATOM 1374 CA GLU B 35 89.546 -12.623 32.548 1.00 0.00 C ATOM 1375 C GLU B 35 89.435 -14.136 32.737 1.00 0.00 C ATOM 1376 O GLU B 35 88.356 -14.666 32.912 1.00 0.00 O ATOM 1377 CB GLU B 35 89.677 -12.319 31.054 1.00 0.00 C ATOM 1378 CG GLU B 35 88.383 -12.717 30.328 1.00 0.00 C ATOM 1379 CD GLU B 35 88.351 -14.231 30.086 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.406 -14.843 30.108 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.267 -14.754 29.886 1.00 0.00 O ATOM 0 H GLU B 35 91.451 -11.669 32.685 1.00 0.00 H new ATOM 0 HA GLU B 35 88.654 -12.143 32.950 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.877 -11.258 30.905 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.523 -12.864 30.635 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.519 -12.419 30.921 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.314 -12.189 29.377 1.00 0.00 H new ATOM 1388 N ILE B 36 90.531 -14.842 32.703 1.00 0.00 N ATOM 1389 CA ILE B 36 90.451 -16.317 32.883 1.00 0.00 C ATOM 1390 C ILE B 36 89.858 -16.595 34.262 1.00 0.00 C ATOM 1391 O ILE B 36 89.016 -17.456 34.428 1.00 0.00 O ATOM 1392 CB ILE B 36 91.850 -16.931 32.762 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.377 -16.696 31.341 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.774 -18.437 33.032 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.861 -17.067 31.268 1.00 0.00 C ATOM 0 H ILE B 36 91.468 -14.466 32.560 1.00 0.00 H new ATOM 0 HA ILE B 36 89.820 -16.763 32.115 1.00 0.00 H new ATOM 0 HB ILE B 36 92.519 -16.467 33.487 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.808 -17.294 30.629 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.240 -15.652 31.061 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.769 -18.873 32.946 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.389 -18.607 34.037 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.109 -18.904 32.305 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.229 -16.898 30.256 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.425 -16.450 31.967 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.987 -18.118 31.529 1.00 0.00 H new ATOM 1407 N VAL B 37 90.263 -15.843 35.248 1.00 0.00 N ATOM 1408 CA VAL B 37 89.694 -16.030 36.610 1.00 0.00 C ATOM 1409 C VAL B 37 88.221 -15.619 36.575 1.00 0.00 C ATOM 1410 O VAL B 37 87.373 -16.249 37.172 1.00 0.00 O ATOM 1411 CB VAL B 37 90.461 -15.152 37.607 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.735 -15.142 38.956 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.871 -15.718 37.794 1.00 0.00 C ATOM 0 H VAL B 37 90.964 -15.107 35.168 1.00 0.00 H new ATOM 0 HA VAL B 37 89.781 -17.071 36.921 1.00 0.00 H new ATOM 0 HB VAL B 37 90.519 -14.134 37.223 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.284 -14.517 39.660 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.729 -14.743 38.825 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.674 -16.159 39.344 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.421 -15.098 38.502 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.806 -16.736 38.178 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.391 -15.723 36.836 1.00 0.00 H new ATOM 1423 N ALA B 38 87.918 -14.561 35.871 1.00 0.00 N ATOM 1424 CA ALA B 38 86.505 -14.091 35.782 1.00 0.00 C ATOM 1425 C ALA B 38 85.628 -15.203 35.197 1.00 0.00 C ATOM 1426 O ALA B 38 84.426 -15.215 35.377 1.00 0.00 O ATOM 1427 CB ALA B 38 86.440 -12.848 34.883 1.00 0.00 C ATOM 0 H ALA B 38 88.592 -13.999 35.351 1.00 0.00 H new ATOM 0 HA ALA B 38 86.140 -13.837 36.777 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.409 -12.501 34.815 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.061 -12.059 35.307 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.804 -13.100 33.887 1.00 0.00 H new ATOM 1433 N SER B 39 86.217 -16.140 34.498 1.00 0.00 N ATOM 1434 CA SER B 39 85.409 -17.248 33.906 1.00 0.00 C ATOM 1435 C SER B 39 85.274 -18.363 34.936 1.00 0.00 C ATOM 1436 O SER B 39 84.196 -18.864 35.186 1.00 0.00 O ATOM 1437 CB SER B 39 86.118 -17.795 32.666 1.00 0.00 C ATOM 1438 OG SER B 39 86.402 -16.726 31.777 1.00 0.00 O ATOM 0 H SER B 39 87.219 -16.185 34.312 1.00 0.00 H new ATOM 0 HA SER B 39 84.424 -16.874 33.625 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.041 -18.299 32.953 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.490 -18.537 32.172 1.00 0.00 H new ATOM 0 HG SER B 39 87.112 -16.166 32.155 1.00 0.00 H new ATOM 1444 N CYS B 40 86.355 -18.743 35.549 1.00 0.00 N ATOM 1445 CA CYS B 40 86.279 -19.811 36.577 1.00 0.00 C ATOM 1446 C CYS B 40 85.300 -19.363 37.663 1.00 0.00 C ATOM 1447 O CYS B 40 85.423 -18.288 38.217 1.00 0.00 O ATOM 1448 CB CYS B 40 87.666 -20.035 37.181 1.00 0.00 C ATOM 1449 SG CYS B 40 87.713 -21.639 38.018 1.00 0.00 S ATOM 0 H CYS B 40 87.286 -18.361 35.383 1.00 0.00 H new ATOM 0 HA CYS B 40 85.936 -20.745 36.132 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.424 -19.999 36.399 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.899 -19.238 37.887 1.00 0.00 H new ATOM 0 HG CYS B 40 88.894 -21.828 38.528 1.00 0.00 H new ATOM 1454 N ASP B 41 84.324 -20.168 37.963 1.00 0.00 N ATOM 1455 CA ASP B 41 83.333 -19.775 39.002 1.00 0.00 C ATOM 1456 C ASP B 41 83.932 -19.979 40.396 1.00 0.00 C ATOM 1457 O ASP B 41 83.542 -19.333 41.348 1.00 0.00 O ATOM 1458 CB ASP B 41 82.081 -20.641 38.848 1.00 0.00 C ATOM 1459 CG ASP B 41 81.345 -20.248 37.565 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.569 -19.145 37.092 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.574 -21.057 37.077 1.00 0.00 O ATOM 0 H ASP B 41 84.168 -21.081 37.535 1.00 0.00 H new ATOM 0 HA ASP B 41 83.072 -18.724 38.880 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.357 -21.695 38.814 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.427 -20.510 39.710 1.00 0.00 H new ATOM 1466 N LYS B 42 84.868 -20.878 40.527 1.00 0.00 N ATOM 1467 CA LYS B 42 85.477 -21.130 41.865 1.00 0.00 C ATOM 1468 C LYS B 42 86.449 -20.002 42.240 1.00 0.00 C ATOM 1469 O LYS B 42 86.465 -19.538 43.362 1.00 0.00 O ATOM 1470 CB LYS B 42 86.233 -22.459 41.822 1.00 0.00 C ATOM 1471 CG LYS B 42 85.233 -23.605 41.651 1.00 0.00 C ATOM 1472 CD LYS B 42 85.980 -24.940 41.607 1.00 0.00 C ATOM 1473 CE LYS B 42 84.979 -26.086 41.437 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.205 -25.897 40.175 1.00 0.00 N ATOM 0 H LYS B 42 85.238 -21.449 39.767 1.00 0.00 H new ATOM 0 HA LYS B 42 84.686 -21.168 42.614 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.947 -22.458 40.998 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.806 -22.595 42.740 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.519 -23.604 42.475 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.661 -23.467 40.734 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.693 -24.942 40.783 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.553 -25.078 42.524 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.505 -27.040 41.412 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.300 -26.118 42.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.787 -26.804 39.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.448 -25.202 40.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.840 -25.553 39.427 1.00 0.00 H new ATOM 1488 N CYS B 43 87.271 -19.566 41.319 1.00 0.00 N ATOM 1489 CA CYS B 43 88.246 -18.479 41.645 1.00 0.00 C ATOM 1490 C CYS B 43 87.577 -17.101 41.563 1.00 0.00 C ATOM 1491 O CYS B 43 87.982 -16.173 42.231 1.00 0.00 O ATOM 1492 CB CYS B 43 89.428 -18.534 40.674 1.00 0.00 C ATOM 1493 SG CYS B 43 90.284 -20.120 40.852 1.00 0.00 S ATOM 0 H CYS B 43 87.310 -19.913 40.361 1.00 0.00 H new ATOM 0 HA CYS B 43 88.601 -18.632 42.664 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.077 -18.412 39.650 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.116 -17.713 40.875 1.00 0.00 H new ATOM 0 HG CYS B 43 91.286 -20.167 40.026 1.00 0.00 H new ATOM 1498 N GLN B 44 86.575 -16.948 40.739 1.00 0.00 N ATOM 1499 CA GLN B 44 85.916 -15.611 40.616 1.00 0.00 C ATOM 1500 C GLN B 44 85.131 -15.283 41.888 1.00 0.00 C ATOM 1501 O GLN B 44 85.363 -14.276 42.528 1.00 0.00 O ATOM 1502 CB GLN B 44 84.960 -15.623 39.421 1.00 0.00 C ATOM 1503 CG GLN B 44 84.334 -14.240 39.252 1.00 0.00 C ATOM 1504 CD GLN B 44 83.505 -14.224 37.966 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.178 -15.264 37.430 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.151 -13.083 37.442 1.00 0.00 N ATOM 0 H GLN B 44 86.185 -17.683 40.149 1.00 0.00 H new ATOM 0 HA GLN B 44 86.685 -14.853 40.470 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.498 -15.903 38.515 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.181 -16.370 39.573 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.704 -14.004 40.110 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.111 -13.477 39.209 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.425 -12.209 37.891 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.600 -13.065 36.584 1.00 0.00 H new ATOM 1515 N LEU B 45 84.203 -16.119 42.259 1.00 0.00 N ATOM 1516 CA LEU B 45 83.403 -15.847 43.490 1.00 0.00 C ATOM 1517 C LEU B 45 84.186 -16.332 44.711 1.00 0.00 C ATOM 1518 O LEU B 45 84.758 -17.404 44.706 1.00 0.00 O ATOM 1519 CB LEU B 45 82.071 -16.601 43.415 1.00 0.00 C ATOM 1520 CG LEU B 45 81.276 -16.158 42.179 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.977 -16.967 42.104 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.941 -14.656 42.270 1.00 0.00 C ATOM 0 H LEU B 45 83.962 -16.979 41.765 1.00 0.00 H new ATOM 0 HA LEU B 45 83.210 -14.777 43.571 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.255 -17.674 43.372 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.488 -16.414 44.317 1.00 0.00 H new ATOM 0 HG LEU B 45 81.876 -16.331 41.285 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.406 -16.658 41.228 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.213 -18.028 42.027 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.386 -16.791 43.003 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.377 -14.355 41.387 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.344 -14.470 43.163 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.865 -14.080 42.324 1.00 0.00 H new