USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=23 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: B 12 CYS SG : rot -13:sc= 0.0382 USER MOD Set 1.2: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 12 CYS SG : rot -21:sc= 0.0571 USER MOD Set 2.2: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ -110:sc= 0.904 (180deg=0.405) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0489 (180deg=-0.531) USER MOD Single : A 9 GLN : amide:sc=-0.00838 K(o=-0.0084,f=-1.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -39:sc= 1.26 USER MOD Single : A 16 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.045) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 158:sc= -0.146 (180deg=-1.38) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 131:sc= 0.255 USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= -0.147 (180deg=-0.915) USER MOD Single : A 44 GLN :FLIP amide:sc= -1.97! C(o=-5.2!,f=-2!) USER MOD Single : B 1 PHE N :NH3+ 126:sc= 0.995 (180deg=0.395) USER MOD Single : B 7 LYS NZ :NH3+ 162:sc= -0.0336 (180deg=-0.532) USER MOD Single : B 9 GLN : amide:sc=-0.00767 K(o=-0.0077,f=-1.7!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -12:sc= 1.29 USER MOD Single : B 16 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.048) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0441 K(o=-0.044,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 160:sc= -0.245 (180deg=-1.41) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.319 X(o=-0.32,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 131:sc= 0.315 USER MOD Single : B 42 LYS NZ :NH3+ 160:sc= -0.14 (180deg=-0.924) USER MOD Single : B 44 GLN : amide:sc= -1.86 K(o=-1.9,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.570 -4.549 23.853 1.00 0.00 N ATOM 2 CA PHE A 1 95.106 -3.769 25.034 1.00 0.00 C ATOM 3 C PHE A 1 95.170 -2.279 24.707 1.00 0.00 C ATOM 4 O PHE A 1 96.233 -1.701 24.589 1.00 0.00 O ATOM 5 CB PHE A 1 96.001 -4.088 26.232 1.00 0.00 C ATOM 6 CG PHE A 1 96.290 -5.574 26.251 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.258 -6.481 26.521 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.584 -6.046 25.986 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.518 -7.858 26.531 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.843 -7.425 25.995 1.00 0.00 C ATOM 11 CZ PHE A 1 96.811 -8.328 26.268 1.00 0.00 C ATOM 0 H1 PHE A 1 94.763 -5.049 23.428 1.00 0.00 H new ATOM 0 H2 PHE A 1 95.985 -3.903 23.152 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.286 -5.241 24.153 1.00 0.00 H new ATOM 0 HA PHE A 1 94.078 -4.036 25.279 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.932 -3.524 26.167 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.511 -3.788 27.158 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.260 -6.119 26.722 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.381 -5.348 25.775 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.722 -8.557 26.741 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.839 -7.789 25.791 1.00 0.00 H new ATOM 0 HZ PHE A 1 97.011 -9.389 26.276 1.00 0.00 H new ATOM 23 N LEU A 2 94.033 -1.658 24.539 1.00 0.00 N ATOM 24 CA LEU A 2 94.006 -0.205 24.194 1.00 0.00 C ATOM 25 C LEU A 2 93.792 0.647 25.436 1.00 0.00 C ATOM 26 O LEU A 2 93.040 0.308 26.319 1.00 0.00 O ATOM 27 CB LEU A 2 92.874 0.061 23.198 1.00 0.00 C ATOM 28 CG LEU A 2 93.096 -0.757 21.918 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.912 -0.531 20.971 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.403 -0.319 21.229 1.00 0.00 C ATOM 0 H LEU A 2 93.116 -2.097 24.626 1.00 0.00 H new ATOM 0 HA LEU A 2 94.966 0.061 23.752 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.916 -0.202 23.646 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.833 1.123 22.958 1.00 0.00 H new ATOM 0 HG LEU A 2 93.172 -1.814 22.171 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.061 -1.108 20.058 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.991 -0.852 21.457 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.841 0.528 20.723 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.551 -0.906 20.322 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.342 0.738 20.971 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.242 -0.479 21.906 1.00 0.00 H new ATOM 42 N ASP A 3 94.446 1.771 25.488 1.00 0.00 N ATOM 43 CA ASP A 3 94.285 2.679 26.655 1.00 0.00 C ATOM 44 C ASP A 3 92.817 3.090 26.753 1.00 0.00 C ATOM 45 O ASP A 3 92.251 3.160 27.825 1.00 0.00 O ATOM 46 CB ASP A 3 95.157 3.924 26.465 1.00 0.00 C ATOM 47 CG ASP A 3 96.627 3.559 26.677 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.882 2.583 27.364 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.475 4.264 26.154 1.00 0.00 O ATOM 0 H ASP A 3 95.089 2.102 24.768 1.00 0.00 H new ATOM 0 HA ASP A 3 94.592 2.169 27.568 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.014 4.331 25.464 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.859 4.700 27.170 1.00 0.00 H new ATOM 54 N GLY A 4 92.191 3.345 25.635 1.00 0.00 N ATOM 55 CA GLY A 4 90.750 3.733 25.655 1.00 0.00 C ATOM 56 C GLY A 4 89.980 2.757 26.550 1.00 0.00 C ATOM 57 O GLY A 4 88.858 3.006 26.940 1.00 0.00 O ATOM 0 H GLY A 4 92.615 3.301 24.708 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.640 4.751 26.028 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.342 3.718 24.644 1.00 0.00 H new ATOM 61 N ILE A 5 90.585 1.652 26.891 1.00 0.00 N ATOM 62 CA ILE A 5 89.901 0.670 27.777 1.00 0.00 C ATOM 63 C ILE A 5 89.578 1.349 29.112 1.00 0.00 C ATOM 64 O ILE A 5 88.517 1.163 29.674 1.00 0.00 O ATOM 65 CB ILE A 5 90.818 -0.547 27.984 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.828 -1.388 26.706 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.312 -1.400 29.151 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.952 -2.427 26.778 1.00 0.00 C ATOM 0 H ILE A 5 91.524 1.387 26.594 1.00 0.00 H new ATOM 0 HA ILE A 5 88.971 0.327 27.324 1.00 0.00 H new ATOM 0 HB ILE A 5 91.826 -0.202 28.212 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.867 -1.886 26.580 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.970 -0.745 25.837 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.970 -2.258 29.287 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.303 -0.802 30.062 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.302 -1.748 28.936 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.955 -3.023 25.866 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.911 -1.919 26.883 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.791 -3.078 27.637 1.00 0.00 H new ATOM 80 N ASP A 6 90.476 2.152 29.612 1.00 0.00 N ATOM 81 CA ASP A 6 90.212 2.860 30.897 1.00 0.00 C ATOM 82 C ASP A 6 88.975 3.740 30.716 1.00 0.00 C ATOM 83 O ASP A 6 88.138 3.847 31.588 1.00 0.00 O ATOM 84 CB ASP A 6 91.414 3.740 31.251 1.00 0.00 C ATOM 85 CG ASP A 6 92.598 2.854 31.643 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.367 1.705 31.984 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.716 3.340 31.594 1.00 0.00 O ATOM 0 H ASP A 6 91.382 2.349 29.186 1.00 0.00 H new ATOM 0 HA ASP A 6 90.049 2.138 31.697 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.682 4.367 30.401 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.159 4.409 32.073 1.00 0.00 H new ATOM 92 N LYS A 7 88.859 4.367 29.579 1.00 0.00 N ATOM 93 CA LYS A 7 87.683 5.243 29.314 1.00 0.00 C ATOM 94 C LYS A 7 86.412 4.393 29.359 1.00 0.00 C ATOM 95 O LYS A 7 85.387 4.818 29.847 1.00 0.00 O ATOM 96 CB LYS A 7 87.827 5.887 27.927 1.00 0.00 C ATOM 97 CG LYS A 7 86.634 6.807 27.645 1.00 0.00 C ATOM 98 CD LYS A 7 86.800 7.440 26.260 1.00 0.00 C ATOM 99 CE LYS A 7 85.598 8.337 25.951 1.00 0.00 C ATOM 100 NZ LYS A 7 85.497 9.416 26.975 1.00 0.00 N ATOM 0 H LYS A 7 89.533 4.310 28.816 1.00 0.00 H new ATOM 0 HA LYS A 7 87.627 6.028 30.068 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.755 6.457 27.877 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.887 5.112 27.163 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.704 6.240 27.689 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.571 7.584 28.407 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.720 8.024 26.225 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.888 6.661 25.503 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.704 8.774 24.958 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.683 7.745 25.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.923 10.198 26.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.049 9.038 27.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.449 9.765 27.206 1.00 0.00 H new ATOM 114 N ALA A 8 86.473 3.195 28.848 1.00 0.00 N ATOM 115 CA ALA A 8 85.271 2.314 28.847 1.00 0.00 C ATOM 116 C ALA A 8 84.772 2.103 30.281 1.00 0.00 C ATOM 117 O ALA A 8 83.589 1.956 30.518 1.00 0.00 O ATOM 118 CB ALA A 8 85.641 0.963 28.234 1.00 0.00 C ATOM 0 H ALA A 8 87.308 2.786 28.429 1.00 0.00 H new ATOM 0 HA ALA A 8 84.481 2.784 28.262 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.766 0.313 28.230 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.988 1.110 27.211 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.433 0.501 28.823 1.00 0.00 H new ATOM 124 N GLN A 9 85.658 2.077 31.236 1.00 0.00 N ATOM 125 CA GLN A 9 85.222 1.866 32.647 1.00 0.00 C ATOM 126 C GLN A 9 84.266 2.985 33.077 1.00 0.00 C ATOM 127 O GLN A 9 83.296 2.753 33.772 1.00 0.00 O ATOM 128 CB GLN A 9 86.454 1.868 33.560 1.00 0.00 C ATOM 129 CG GLN A 9 87.279 0.603 33.313 1.00 0.00 C ATOM 130 CD GLN A 9 88.593 0.688 34.093 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.001 1.756 34.506 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.280 -0.399 34.309 1.00 0.00 N ATOM 0 H GLN A 9 86.663 2.192 31.103 1.00 0.00 H new ATOM 0 HA GLN A 9 84.705 0.910 32.724 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.060 2.753 33.367 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.145 1.915 34.604 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.716 -0.277 33.624 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.483 0.492 32.248 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.938 -1.296 33.963 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.159 -0.353 34.824 1.00 0.00 H new ATOM 141 N GLU A 10 84.542 4.197 32.684 1.00 0.00 N ATOM 142 CA GLU A 10 83.666 5.340 33.082 1.00 0.00 C ATOM 143 C GLU A 10 82.233 5.144 32.568 1.00 0.00 C ATOM 144 O GLU A 10 81.277 5.459 33.249 1.00 0.00 O ATOM 145 CB GLU A 10 84.249 6.637 32.512 1.00 0.00 C ATOM 146 CG GLU A 10 83.387 7.830 32.936 1.00 0.00 C ATOM 147 CD GLU A 10 84.016 9.122 32.411 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.137 9.060 31.932 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.366 10.152 32.497 1.00 0.00 O ATOM 0 H GLU A 10 85.340 4.449 32.101 1.00 0.00 H new ATOM 0 HA GLU A 10 83.629 5.392 34.170 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.271 6.772 32.866 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.293 6.578 31.424 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.376 7.720 32.545 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.306 7.867 34.022 1.00 0.00 H new ATOM 156 N GLU A 11 82.068 4.652 31.369 1.00 0.00 N ATOM 157 CA GLU A 11 80.687 4.470 30.817 1.00 0.00 C ATOM 158 C GLU A 11 80.183 3.052 31.103 1.00 0.00 C ATOM 159 O GLU A 11 79.071 2.703 30.759 1.00 0.00 O ATOM 160 CB GLU A 11 80.711 4.702 29.301 1.00 0.00 C ATOM 161 CG GLU A 11 80.974 6.184 29.005 1.00 0.00 C ATOM 162 CD GLU A 11 82.446 6.507 29.269 1.00 0.00 C ATOM 163 OE1 GLU A 11 83.214 5.576 29.431 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.776 7.680 29.312 1.00 0.00 O ATOM 0 H GLU A 11 82.825 4.368 30.747 1.00 0.00 H new ATOM 0 HA GLU A 11 80.019 5.187 31.293 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.485 4.087 28.842 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.761 4.397 28.862 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.722 6.408 27.968 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.336 6.809 29.630 1.00 0.00 H new ATOM 171 N CYS A 12 80.981 2.236 31.735 1.00 0.00 N ATOM 172 CA CYS A 12 80.537 0.845 32.041 1.00 0.00 C ATOM 173 C CYS A 12 79.163 0.872 32.717 1.00 0.00 C ATOM 174 O CYS A 12 78.328 0.021 32.483 1.00 0.00 O ATOM 175 CB CYS A 12 81.548 0.179 32.977 1.00 0.00 C ATOM 176 SG CYS A 12 81.015 -1.517 33.328 1.00 0.00 S ATOM 0 H CYS A 12 81.921 2.471 32.053 1.00 0.00 H new ATOM 0 HA CYS A 12 80.470 0.280 31.111 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.537 0.174 32.518 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.630 0.746 33.904 1.00 0.00 H new ATOM 0 HG CYS A 12 79.740 -1.627 33.102 1.00 0.00 H new ATOM 181 N GLU A 13 78.926 1.837 33.563 1.00 0.00 N ATOM 182 CA GLU A 13 77.612 1.911 34.265 1.00 0.00 C ATOM 183 C GLU A 13 76.482 2.044 33.237 1.00 0.00 C ATOM 184 O GLU A 13 75.431 1.450 33.380 1.00 0.00 O ATOM 185 CB GLU A 13 77.611 3.129 35.197 1.00 0.00 C ATOM 186 CG GLU A 13 76.295 3.202 35.980 1.00 0.00 C ATOM 187 CD GLU A 13 76.164 1.974 36.884 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.177 1.354 37.159 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.052 1.676 37.287 1.00 0.00 O ATOM 0 H GLU A 13 79.586 2.578 33.799 1.00 0.00 H new ATOM 0 HA GLU A 13 77.455 1.003 34.847 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.450 3.066 35.889 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.746 4.040 34.615 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.267 4.112 36.580 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.452 3.249 35.290 1.00 0.00 H new ATOM 196 N LYS A 14 76.682 2.817 32.205 1.00 0.00 N ATOM 197 CA LYS A 14 75.610 2.979 31.178 1.00 0.00 C ATOM 198 C LYS A 14 75.439 1.680 30.381 1.00 0.00 C ATOM 199 O LYS A 14 74.368 1.393 29.882 1.00 0.00 O ATOM 200 CB LYS A 14 75.958 4.134 30.234 1.00 0.00 C ATOM 201 CG LYS A 14 75.838 5.462 30.991 1.00 0.00 C ATOM 202 CD LYS A 14 75.997 6.634 30.015 1.00 0.00 C ATOM 203 CE LYS A 14 77.458 6.773 29.579 1.00 0.00 C ATOM 204 NZ LYS A 14 77.653 8.102 28.933 1.00 0.00 N ATOM 0 H LYS A 14 77.538 3.343 32.027 1.00 0.00 H new ATOM 0 HA LYS A 14 74.671 3.206 31.683 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.971 4.012 29.849 1.00 0.00 H new ATOM 0 HB3 LYS A 14 75.288 4.131 29.374 1.00 0.00 H new ATOM 0 HG2 LYS A 14 74.870 5.521 31.489 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.600 5.518 31.768 1.00 0.00 H new ATOM 0 HD2 LYS A 14 75.364 6.476 29.142 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.663 7.557 30.488 1.00 0.00 H new ATOM 0 HE2 LYS A 14 78.118 6.674 30.441 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.720 5.975 28.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.644 8.201 28.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 77.032 8.178 28.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.418 8.855 29.611 1.00 0.00 H new ATOM 218 N TYR A 15 76.473 0.886 30.256 1.00 0.00 N ATOM 219 CA TYR A 15 76.340 -0.393 29.490 1.00 0.00 C ATOM 220 C TYR A 15 75.810 -1.482 30.422 1.00 0.00 C ATOM 221 O TYR A 15 75.343 -2.513 29.982 1.00 0.00 O ATOM 222 CB TYR A 15 77.704 -0.824 28.940 1.00 0.00 C ATOM 223 CG TYR A 15 78.118 0.099 27.817 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.549 -0.050 26.545 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.067 1.102 28.044 1.00 0.00 C ATOM 226 CE1 TYR A 15 77.931 0.804 25.503 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.447 1.956 27.002 1.00 0.00 C ATOM 228 CZ TYR A 15 78.881 1.807 25.733 1.00 0.00 C ATOM 229 OH TYR A 15 79.256 2.650 24.707 1.00 0.00 O ATOM 0 H TYR A 15 77.398 1.065 30.648 1.00 0.00 H new ATOM 0 HA TYR A 15 75.651 -0.241 28.659 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.450 -0.802 29.734 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.653 -1.851 28.579 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.816 -0.823 26.368 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.507 1.217 29.024 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.493 0.689 24.522 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.178 2.731 27.179 1.00 0.00 H new ATOM 0 HH TYR A 15 79.323 2.140 23.873 1.00 0.00 H new ATOM 239 N HIS A 16 75.880 -1.258 31.707 1.00 0.00 N ATOM 240 CA HIS A 16 75.374 -2.271 32.678 1.00 0.00 C ATOM 241 C HIS A 16 76.110 -3.597 32.481 1.00 0.00 C ATOM 242 O HIS A 16 77.307 -3.632 32.271 1.00 0.00 O ATOM 243 CB HIS A 16 73.870 -2.481 32.478 1.00 0.00 C ATOM 244 CG HIS A 16 73.177 -1.147 32.481 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.032 -0.390 33.637 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.586 -0.418 31.479 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.376 0.738 33.304 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.083 0.768 32.003 1.00 0.00 N ATOM 0 H HIS A 16 76.268 -0.413 32.128 1.00 0.00 H new ATOM 0 HA HIS A 16 75.554 -1.909 33.691 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.685 -2.997 31.536 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.471 -3.113 33.271 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.522 -0.719 30.444 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.119 1.520 34.003 1.00 0.00 H new ATOM 0 HE2 HIS A 16 71.593 1.506 31.498 1.00 0.00 H new ATOM 257 N SER A 17 75.401 -4.691 32.560 1.00 0.00 N ATOM 258 CA SER A 17 76.047 -6.024 32.394 1.00 0.00 C ATOM 259 C SER A 17 76.138 -6.377 30.907 1.00 0.00 C ATOM 260 O SER A 17 76.626 -7.428 30.543 1.00 0.00 O ATOM 261 CB SER A 17 75.212 -7.086 33.114 1.00 0.00 C ATOM 262 OG SER A 17 75.114 -6.751 34.492 1.00 0.00 O ATOM 0 H SER A 17 74.396 -4.718 32.733 1.00 0.00 H new ATOM 0 HA SER A 17 77.050 -5.991 32.819 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.218 -7.146 32.671 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.672 -8.067 32.998 1.00 0.00 H new ATOM 0 HG SER A 17 74.578 -7.428 34.956 1.00 0.00 H new ATOM 268 N ASN A 18 75.667 -5.518 30.041 1.00 0.00 N ATOM 269 CA ASN A 18 75.728 -5.831 28.583 1.00 0.00 C ATOM 270 C ASN A 18 77.132 -5.554 28.053 1.00 0.00 C ATOM 271 O ASN A 18 77.382 -4.549 27.418 1.00 0.00 O ATOM 272 CB ASN A 18 74.726 -4.960 27.823 1.00 0.00 C ATOM 273 CG ASN A 18 73.302 -5.406 28.154 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.089 -6.513 28.608 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.312 -4.584 27.942 1.00 0.00 N ATOM 0 H ASN A 18 75.246 -4.620 30.278 1.00 0.00 H new ATOM 0 HA ASN A 18 75.483 -6.883 28.438 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.862 -3.913 28.093 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.902 -5.038 26.750 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.357 -4.870 28.157 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.493 -3.655 27.561 1.00 0.00 H new ATOM 282 N TRP A 19 78.049 -6.446 28.299 1.00 0.00 N ATOM 283 CA TRP A 19 79.433 -6.244 27.799 1.00 0.00 C ATOM 284 C TRP A 19 79.445 -6.393 26.275 1.00 0.00 C ATOM 285 O TRP A 19 80.294 -5.851 25.596 1.00 0.00 O ATOM 286 CB TRP A 19 80.362 -7.282 28.432 1.00 0.00 C ATOM 287 CG TRP A 19 79.880 -8.657 28.098 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.997 -9.368 28.835 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.240 -9.500 26.965 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.793 -10.595 28.228 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.537 -10.722 27.072 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.100 -9.324 25.867 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.682 -11.734 26.123 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.248 -10.340 24.910 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.542 -11.543 25.038 1.00 0.00 C ATOM 0 H TRP A 19 77.898 -7.307 28.825 1.00 0.00 H new ATOM 0 HA TRP A 19 79.780 -5.246 28.067 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.380 -7.144 28.067 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.390 -7.148 29.513 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.528 -9.033 29.748 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.170 -11.317 28.590 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.650 -8.401 25.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.134 -12.659 26.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.910 -10.193 24.070 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.662 -12.322 24.299 1.00 0.00 H new ATOM 306 N ARG A 20 78.505 -7.121 25.731 1.00 0.00 N ATOM 307 CA ARG A 20 78.467 -7.295 24.250 1.00 0.00 C ATOM 308 C ARG A 20 78.310 -5.937 23.566 1.00 0.00 C ATOM 309 O ARG A 20 78.919 -5.672 22.549 1.00 0.00 O ATOM 310 CB ARG A 20 77.289 -8.194 23.857 1.00 0.00 C ATOM 311 CG ARG A 20 77.558 -9.633 24.302 1.00 0.00 C ATOM 312 CD ARG A 20 76.384 -10.525 23.884 1.00 0.00 C ATOM 313 NE ARG A 20 76.643 -11.928 24.320 1.00 0.00 N ATOM 314 CZ ARG A 20 75.672 -12.801 24.325 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.476 -12.450 23.939 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.899 -14.027 24.716 1.00 0.00 N ATOM 0 H ARG A 20 77.766 -7.600 26.246 1.00 0.00 H new ATOM 0 HA ARG A 20 79.401 -7.757 23.931 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.372 -7.828 24.318 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.139 -8.160 22.778 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.483 -9.997 23.854 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.691 -9.672 25.383 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.459 -10.159 24.330 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.253 -10.488 22.803 1.00 0.00 H new ATOM 0 HE ARG A 20 77.579 -12.206 24.614 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.299 -11.493 23.633 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.718 -13.132 23.943 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.834 -14.301 25.017 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.141 -14.710 24.720 1.00 0.00 H new ATOM 330 N ALA A 21 77.494 -5.075 24.106 1.00 0.00 N ATOM 331 CA ALA A 21 77.300 -3.741 23.469 1.00 0.00 C ATOM 332 C ALA A 21 78.601 -2.938 23.545 1.00 0.00 C ATOM 333 O ALA A 21 79.052 -2.376 22.567 1.00 0.00 O ATOM 334 CB ALA A 21 76.189 -2.982 24.201 1.00 0.00 C ATOM 0 H ALA A 21 76.955 -5.235 24.957 1.00 0.00 H new ATOM 0 HA ALA A 21 77.021 -3.878 22.424 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.047 -2.007 23.736 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.261 -3.550 24.143 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.468 -2.848 25.246 1.00 0.00 H new ATOM 340 N MET A 22 79.203 -2.879 24.698 1.00 0.00 N ATOM 341 CA MET A 22 80.473 -2.110 24.841 1.00 0.00 C ATOM 342 C MET A 22 81.545 -2.701 23.921 1.00 0.00 C ATOM 343 O MET A 22 82.307 -1.985 23.304 1.00 0.00 O ATOM 344 CB MET A 22 80.937 -2.175 26.297 1.00 0.00 C ATOM 345 CG MET A 22 82.219 -1.360 26.471 1.00 0.00 C ATOM 346 SD MET A 22 82.564 -1.154 28.237 1.00 0.00 S ATOM 347 CE MET A 22 82.718 -2.908 28.658 1.00 0.00 C ATOM 0 H MET A 22 78.871 -3.330 25.551 1.00 0.00 H new ATOM 0 HA MET A 22 80.306 -1.070 24.560 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.158 -1.788 26.954 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.112 -3.211 26.586 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.053 -1.864 25.982 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.112 -0.386 25.994 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.298 -3.013 29.575 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.726 -3.335 28.806 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.222 -3.434 27.847 1.00 0.00 H new ATOM 357 N ALA A 23 81.613 -4.000 23.816 1.00 0.00 N ATOM 358 CA ALA A 23 82.640 -4.612 22.928 1.00 0.00 C ATOM 359 C ALA A 23 82.433 -4.112 21.495 1.00 0.00 C ATOM 360 O ALA A 23 83.376 -3.844 20.778 1.00 0.00 O ATOM 361 CB ALA A 23 82.508 -6.137 22.967 1.00 0.00 C ATOM 0 H ALA A 23 81.006 -4.660 24.303 1.00 0.00 H new ATOM 0 HA ALA A 23 83.635 -4.329 23.271 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.260 -6.584 22.317 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.656 -6.489 23.988 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.514 -6.425 22.624 1.00 0.00 H new ATOM 367 N SER A 24 81.204 -3.995 21.073 1.00 0.00 N ATOM 368 CA SER A 24 80.931 -3.522 19.687 1.00 0.00 C ATOM 369 C SER A 24 81.347 -2.056 19.537 1.00 0.00 C ATOM 370 O SER A 24 81.853 -1.649 18.510 1.00 0.00 O ATOM 371 CB SER A 24 79.440 -3.663 19.379 1.00 0.00 C ATOM 372 OG SER A 24 79.189 -3.187 18.062 1.00 0.00 O ATOM 0 H SER A 24 80.376 -4.207 21.629 1.00 0.00 H new ATOM 0 HA SER A 24 81.507 -4.129 18.988 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.135 -4.706 19.466 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.852 -3.097 20.102 1.00 0.00 H new ATOM 0 HG SER A 24 78.235 -3.276 17.858 1.00 0.00 H new ATOM 378 N ASP A 25 81.130 -1.253 20.545 1.00 0.00 N ATOM 379 CA ASP A 25 81.506 0.188 20.435 1.00 0.00 C ATOM 380 C ASP A 25 83.027 0.336 20.411 1.00 0.00 C ATOM 381 O ASP A 25 83.565 1.131 19.667 1.00 0.00 O ATOM 382 CB ASP A 25 80.947 0.958 21.633 1.00 0.00 C ATOM 383 CG ASP A 25 79.424 1.048 21.523 1.00 0.00 C ATOM 384 OD1 ASP A 25 78.919 0.878 20.426 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.788 1.289 22.536 1.00 0.00 O ATOM 0 H ASP A 25 80.712 -1.529 21.433 1.00 0.00 H new ATOM 0 HA ASP A 25 81.090 0.589 19.511 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.225 0.458 22.561 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.378 1.958 21.668 1.00 0.00 H new ATOM 390 N PHE A 26 83.730 -0.428 21.204 1.00 0.00 N ATOM 391 CA PHE A 26 85.224 -0.332 21.210 1.00 0.00 C ATOM 392 C PHE A 26 85.802 -1.393 20.270 1.00 0.00 C ATOM 393 O PHE A 26 87.000 -1.491 20.087 1.00 0.00 O ATOM 394 CB PHE A 26 85.749 -0.548 22.631 1.00 0.00 C ATOM 395 CG PHE A 26 85.394 0.647 23.488 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.184 0.677 24.191 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.284 1.728 23.582 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.861 1.784 24.985 1.00 0.00 C ATOM 399 CE2 PHE A 26 85.960 2.834 24.376 1.00 0.00 C ATOM 400 CZ PHE A 26 84.749 2.862 25.076 1.00 0.00 C ATOM 0 H PHE A 26 83.337 -1.114 21.848 1.00 0.00 H new ATOM 0 HA PHE A 26 85.529 0.657 20.868 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.317 -1.454 23.056 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.830 -0.688 22.613 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.499 -0.155 24.121 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.219 1.706 23.042 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.927 1.806 25.527 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.645 3.666 24.448 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.499 3.717 25.687 1.00 0.00 H new ATOM 410 N ASN A 27 84.956 -2.175 19.657 1.00 0.00 N ATOM 411 CA ASN A 27 85.443 -3.217 18.709 1.00 0.00 C ATOM 412 C ASN A 27 86.525 -4.074 19.371 1.00 0.00 C ATOM 413 O ASN A 27 87.576 -4.299 18.803 1.00 0.00 O ATOM 414 CB ASN A 27 86.026 -2.529 17.473 1.00 0.00 C ATOM 415 CG ASN A 27 84.942 -1.682 16.804 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.152 -0.518 16.520 1.00 0.00 O ATOM 417 ND2 ASN A 27 83.782 -2.218 16.541 1.00 0.00 N ATOM 0 H ASN A 27 83.943 -2.137 19.773 1.00 0.00 H new ATOM 0 HA ASN A 27 84.611 -3.861 18.424 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.870 -1.901 17.757 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.405 -3.274 16.773 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.052 -1.661 16.097 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.605 -3.194 16.779 1.00 0.00 H new ATOM 424 N LEU A 28 86.278 -4.558 20.565 1.00 0.00 N ATOM 425 CA LEU A 28 87.290 -5.412 21.273 1.00 0.00 C ATOM 426 C LEU A 28 86.716 -6.820 21.475 1.00 0.00 C ATOM 427 O LEU A 28 85.520 -6.987 21.607 1.00 0.00 O ATOM 428 CB LEU A 28 87.588 -4.805 22.650 1.00 0.00 C ATOM 429 CG LEU A 28 88.455 -3.539 22.507 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.314 -2.677 23.768 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.934 -3.922 22.337 1.00 0.00 C ATOM 0 H LEU A 28 85.415 -4.398 21.084 1.00 0.00 H new ATOM 0 HA LEU A 28 88.202 -5.462 20.678 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.654 -4.558 23.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.103 -5.537 23.273 1.00 0.00 H new ATOM 0 HG LEU A 28 88.120 -2.985 21.630 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.927 -1.782 23.667 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.271 -2.390 23.897 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.644 -3.247 24.637 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.535 -3.018 22.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.267 -4.484 23.209 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.051 -4.536 21.444 1.00 0.00 H new ATOM 443 N PRO A 29 87.555 -7.831 21.514 1.00 0.00 N ATOM 444 CA PRO A 29 87.098 -9.237 21.721 1.00 0.00 C ATOM 445 C PRO A 29 86.594 -9.460 23.161 1.00 0.00 C ATOM 446 O PRO A 29 86.967 -8.734 24.063 1.00 0.00 O ATOM 447 CB PRO A 29 88.357 -10.073 21.442 1.00 0.00 C ATOM 448 CG PRO A 29 89.495 -9.157 21.752 1.00 0.00 C ATOM 449 CD PRO A 29 89.022 -7.756 21.366 1.00 0.00 C ATOM 0 HA PRO A 29 86.260 -9.503 21.077 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.386 -10.966 22.066 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.389 -10.408 20.405 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.757 -9.203 22.809 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.386 -9.437 21.190 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.452 -6.994 22.017 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.309 -7.503 20.346 1.00 0.00 H new ATOM 457 N PRO A 30 85.760 -10.449 23.383 1.00 0.00 N ATOM 458 CA PRO A 30 85.218 -10.749 24.745 1.00 0.00 C ATOM 459 C PRO A 30 86.290 -10.737 25.847 1.00 0.00 C ATOM 460 O PRO A 30 85.989 -10.545 27.008 1.00 0.00 O ATOM 461 CB PRO A 30 84.636 -12.162 24.598 1.00 0.00 C ATOM 462 CG PRO A 30 84.266 -12.290 23.155 1.00 0.00 C ATOM 463 CD PRO A 30 85.232 -11.390 22.371 1.00 0.00 C ATOM 0 HA PRO A 30 84.496 -9.993 25.052 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.365 -12.919 24.885 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.766 -12.297 25.240 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.348 -13.326 22.825 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.233 -11.984 22.992 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.032 -11.971 21.912 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.719 -10.862 21.567 1.00 0.00 H new ATOM 471 N VAL A 31 87.528 -10.972 25.507 1.00 0.00 N ATOM 472 CA VAL A 31 88.586 -11.001 26.561 1.00 0.00 C ATOM 473 C VAL A 31 88.662 -9.656 27.288 1.00 0.00 C ATOM 474 O VAL A 31 88.659 -9.593 28.500 1.00 0.00 O ATOM 475 CB VAL A 31 89.949 -11.307 25.916 1.00 0.00 C ATOM 476 CG1 VAL A 31 91.083 -11.092 26.934 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.971 -12.762 25.442 1.00 0.00 C ATOM 0 H VAL A 31 87.852 -11.144 24.555 1.00 0.00 H new ATOM 0 HA VAL A 31 88.334 -11.778 27.283 1.00 0.00 H new ATOM 0 HB VAL A 31 90.097 -10.635 25.070 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.041 -11.312 26.463 1.00 0.00 H new ATOM 0 HG12 VAL A 31 91.075 -10.056 27.274 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.937 -11.755 27.787 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.936 -12.981 24.985 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.814 -13.424 26.293 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.179 -12.918 24.710 1.00 0.00 H new ATOM 487 N VAL A 32 88.745 -8.581 26.569 1.00 0.00 N ATOM 488 CA VAL A 32 88.842 -7.257 27.240 1.00 0.00 C ATOM 489 C VAL A 32 87.473 -6.819 27.761 1.00 0.00 C ATOM 490 O VAL A 32 87.361 -6.267 28.835 1.00 0.00 O ATOM 491 CB VAL A 32 89.375 -6.230 26.250 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.468 -4.866 26.932 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.767 -6.659 25.782 1.00 0.00 C ATOM 0 H VAL A 32 88.750 -8.557 25.549 1.00 0.00 H new ATOM 0 HA VAL A 32 89.523 -7.336 28.088 1.00 0.00 H new ATOM 0 HB VAL A 32 88.703 -6.163 25.394 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.849 -4.130 26.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.479 -4.562 27.274 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.142 -4.931 27.786 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.154 -5.927 25.073 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.436 -6.722 26.640 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.704 -7.634 25.299 1.00 0.00 H new ATOM 503 N ALA A 33 86.429 -7.048 27.013 1.00 0.00 N ATOM 504 CA ALA A 33 85.080 -6.623 27.483 1.00 0.00 C ATOM 505 C ALA A 33 84.757 -7.322 28.803 1.00 0.00 C ATOM 506 O ALA A 33 84.405 -6.692 29.782 1.00 0.00 O ATOM 507 CB ALA A 33 84.036 -7.005 26.431 1.00 0.00 C ATOM 0 H ALA A 33 86.450 -7.508 26.103 1.00 0.00 H new ATOM 0 HA ALA A 33 85.067 -5.544 27.634 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.047 -6.696 26.771 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.269 -6.507 25.490 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.047 -8.085 26.282 1.00 0.00 H new ATOM 513 N LYS A 34 84.883 -8.615 28.838 1.00 0.00 N ATOM 514 CA LYS A 34 84.602 -9.357 30.096 1.00 0.00 C ATOM 515 C LYS A 34 85.538 -8.868 31.201 1.00 0.00 C ATOM 516 O LYS A 34 85.148 -8.722 32.343 1.00 0.00 O ATOM 517 CB LYS A 34 84.818 -10.853 29.864 1.00 0.00 C ATOM 518 CG LYS A 34 83.692 -11.406 28.986 1.00 0.00 C ATOM 519 CD LYS A 34 83.917 -12.902 28.759 1.00 0.00 C ATOM 520 CE LYS A 34 82.777 -13.479 27.916 1.00 0.00 C ATOM 521 NZ LYS A 34 83.205 -14.783 27.335 1.00 0.00 N ATOM 0 H LYS A 34 85.169 -9.193 28.048 1.00 0.00 H new ATOM 0 HA LYS A 34 83.569 -9.182 30.397 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.782 -11.021 29.384 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.840 -11.379 30.818 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.727 -11.240 29.465 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.668 -10.881 28.031 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.870 -13.063 28.256 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.971 -13.420 29.717 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.888 -13.616 28.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.510 -12.784 27.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.432 -15.178 26.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 84.042 -14.638 26.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.440 -15.445 28.102 1.00 0.00 H new ATOM 535 N GLU A 35 86.775 -8.624 30.868 1.00 0.00 N ATOM 536 CA GLU A 35 87.752 -8.158 31.893 1.00 0.00 C ATOM 537 C GLU A 35 87.306 -6.821 32.483 1.00 0.00 C ATOM 538 O GLU A 35 87.436 -6.590 33.668 1.00 0.00 O ATOM 539 CB GLU A 35 89.132 -7.985 31.255 1.00 0.00 C ATOM 540 CG GLU A 35 90.172 -7.689 32.349 1.00 0.00 C ATOM 541 CD GLU A 35 90.091 -6.216 32.770 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.524 -5.432 32.027 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.602 -5.898 33.831 1.00 0.00 O ATOM 0 H GLU A 35 87.153 -8.728 29.926 1.00 0.00 H new ATOM 0 HA GLU A 35 87.802 -8.904 32.686 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.408 -8.888 30.711 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.110 -7.171 30.530 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.997 -8.332 33.212 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.173 -7.915 31.981 1.00 0.00 H new ATOM 550 N ILE A 36 86.791 -5.930 31.680 1.00 0.00 N ATOM 551 CA ILE A 36 86.364 -4.619 32.236 1.00 0.00 C ATOM 552 C ILE A 36 85.293 -4.885 33.290 1.00 0.00 C ATOM 553 O ILE A 36 85.279 -4.287 34.348 1.00 0.00 O ATOM 554 CB ILE A 36 85.798 -3.745 31.112 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.932 -3.332 30.172 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.165 -2.489 31.710 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.345 -2.693 28.911 1.00 0.00 C ATOM 0 H ILE A 36 86.650 -6.052 30.677 1.00 0.00 H new ATOM 0 HA ILE A 36 87.208 -4.096 32.685 1.00 0.00 H new ATOM 0 HB ILE A 36 85.045 -4.308 30.560 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.596 -2.628 30.674 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.532 -4.202 29.906 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.763 -1.868 30.910 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.360 -2.774 32.387 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.920 -1.928 32.260 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.154 -2.399 28.242 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.699 -3.411 28.406 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.764 -1.813 29.186 1.00 0.00 H new ATOM 569 N VAL A 37 84.420 -5.812 33.019 1.00 0.00 N ATOM 570 CA VAL A 37 83.372 -6.164 34.011 1.00 0.00 C ATOM 571 C VAL A 37 84.061 -6.835 35.200 1.00 0.00 C ATOM 572 O VAL A 37 83.721 -6.612 36.345 1.00 0.00 O ATOM 573 CB VAL A 37 82.377 -7.135 33.371 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.437 -7.699 34.443 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.564 -6.396 32.304 1.00 0.00 C ATOM 0 H VAL A 37 84.388 -6.343 32.149 1.00 0.00 H new ATOM 0 HA VAL A 37 82.834 -5.275 34.339 1.00 0.00 H new ATOM 0 HB VAL A 37 82.920 -7.959 32.908 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.731 -8.389 33.981 1.00 0.00 H new ATOM 0 HG12 VAL A 37 82.020 -8.227 35.197 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.890 -6.882 34.914 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.854 -7.085 31.846 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.022 -5.571 32.766 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.236 -6.006 31.540 1.00 0.00 H new ATOM 585 N ALA A 38 85.031 -7.665 34.921 1.00 0.00 N ATOM 586 CA ALA A 38 85.764 -8.372 36.008 1.00 0.00 C ATOM 587 C ALA A 38 86.433 -7.350 36.938 1.00 0.00 C ATOM 588 O ALA A 38 86.739 -7.643 38.076 1.00 0.00 O ATOM 589 CB ALA A 38 86.833 -9.286 35.392 1.00 0.00 C ATOM 0 H ALA A 38 85.349 -7.884 33.977 1.00 0.00 H new ATOM 0 HA ALA A 38 85.060 -8.971 36.586 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.370 -9.804 36.186 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.355 -10.017 34.740 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.534 -8.686 34.811 1.00 0.00 H new ATOM 595 N SER A 39 86.674 -6.155 36.460 1.00 0.00 N ATOM 596 CA SER A 39 87.334 -5.125 37.319 1.00 0.00 C ATOM 597 C SER A 39 86.264 -4.248 37.969 1.00 0.00 C ATOM 598 O SER A 39 86.394 -3.838 39.106 1.00 0.00 O ATOM 599 CB SER A 39 88.246 -4.252 36.460 1.00 0.00 C ATOM 600 OG SER A 39 89.238 -5.068 35.849 1.00 0.00 O ATOM 0 H SER A 39 86.443 -5.849 35.515 1.00 0.00 H new ATOM 0 HA SER A 39 87.924 -5.620 38.091 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.662 -3.736 35.697 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.717 -3.484 37.074 1.00 0.00 H new ATOM 0 HG SER A 39 89.278 -4.872 34.890 1.00 0.00 H new ATOM 606 N CYS A 40 85.198 -3.969 37.271 1.00 0.00 N ATOM 607 CA CYS A 40 84.125 -3.136 37.878 1.00 0.00 C ATOM 608 C CYS A 40 83.621 -3.852 39.131 1.00 0.00 C ATOM 609 O CYS A 40 83.297 -5.020 39.096 1.00 0.00 O ATOM 610 CB CYS A 40 82.982 -2.959 36.878 1.00 0.00 C ATOM 611 SG CYS A 40 81.784 -1.771 37.532 1.00 0.00 S ATOM 0 H CYS A 40 85.025 -4.279 36.315 1.00 0.00 H new ATOM 0 HA CYS A 40 84.510 -2.150 38.140 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.372 -2.609 35.922 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.496 -3.917 36.692 1.00 0.00 H new ATOM 0 HG CYS A 40 80.814 -1.619 36.680 1.00 0.00 H new ATOM 616 N ASP A 41 83.579 -3.172 40.242 1.00 0.00 N ATOM 617 CA ASP A 41 83.127 -3.823 41.505 1.00 0.00 C ATOM 618 C ASP A 41 81.606 -4.003 41.515 1.00 0.00 C ATOM 619 O ASP A 41 81.090 -4.950 42.073 1.00 0.00 O ATOM 620 CB ASP A 41 83.542 -2.952 42.693 1.00 0.00 C ATOM 621 CG ASP A 41 85.063 -3.004 42.853 1.00 0.00 C ATOM 622 OD1 ASP A 41 85.649 -3.988 42.433 1.00 0.00 O ATOM 623 OD2 ASP A 41 85.616 -2.058 43.390 1.00 0.00 O ATOM 0 H ASP A 41 83.839 -2.190 40.331 1.00 0.00 H new ATOM 0 HA ASP A 41 83.591 -4.807 41.576 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.217 -1.924 42.536 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.057 -3.304 43.603 1.00 0.00 H new ATOM 628 N LYS A 42 80.883 -3.093 40.928 1.00 0.00 N ATOM 629 CA LYS A 42 79.395 -3.211 40.937 1.00 0.00 C ATOM 630 C LYS A 42 78.943 -4.371 40.046 1.00 0.00 C ATOM 631 O LYS A 42 78.045 -5.115 40.390 1.00 0.00 O ATOM 632 CB LYS A 42 78.800 -1.908 40.403 1.00 0.00 C ATOM 633 CG LYS A 42 79.096 -0.775 41.385 1.00 0.00 C ATOM 634 CD LYS A 42 78.500 0.529 40.855 1.00 0.00 C ATOM 635 CE LYS A 42 78.796 1.659 41.841 1.00 0.00 C ATOM 636 NZ LYS A 42 80.255 1.695 42.140 1.00 0.00 N ATOM 0 H LYS A 42 81.253 -2.275 40.444 1.00 0.00 H new ATOM 0 HA LYS A 42 79.056 -3.400 41.955 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.222 -1.676 39.425 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.724 -2.015 40.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.675 -1.008 42.363 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.172 -0.667 41.518 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.922 0.764 39.878 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.424 0.422 40.720 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.477 2.613 41.422 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.230 1.510 42.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.544 2.674 42.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.454 1.099 42.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.786 1.337 41.321 1.00 0.00 H new ATOM 650 N CYS A 43 79.549 -4.527 38.902 1.00 0.00 N ATOM 651 CA CYS A 43 79.147 -5.634 37.982 1.00 0.00 C ATOM 652 C CYS A 43 79.909 -6.917 38.329 1.00 0.00 C ATOM 653 O CYS A 43 79.749 -7.934 37.683 1.00 0.00 O ATOM 654 CB CYS A 43 79.440 -5.233 36.536 1.00 0.00 C ATOM 655 SG CYS A 43 78.515 -3.729 36.127 1.00 0.00 S ATOM 0 H CYS A 43 80.307 -3.936 38.562 1.00 0.00 H new ATOM 0 HA CYS A 43 78.079 -5.819 38.098 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.509 -5.063 36.404 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.160 -6.040 35.860 1.00 0.00 H new ATOM 0 HG CYS A 43 78.765 -3.386 34.898 1.00 0.00 H new ATOM 660 N GLN A 44 80.744 -6.882 39.334 1.00 0.00 N ATOM 661 CA GLN A 44 81.514 -8.108 39.702 1.00 0.00 C ATOM 662 C GLN A 44 80.566 -9.149 40.295 1.00 0.00 C ATOM 663 O GLN A 44 80.445 -10.249 39.794 1.00 0.00 O ATOM 664 CB GLN A 44 82.586 -7.747 40.741 1.00 0.00 C ATOM 665 CG GLN A 44 83.426 -8.985 41.090 1.00 0.00 C ATOM 666 CD GLN A 44 84.211 -9.436 39.861 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.769 -8.540 39.102 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 84.318 -10.616 39.591 1.00 0.00 N flip ATOM 0 H GLN A 44 80.926 -6.063 39.914 1.00 0.00 H new ATOM 0 HA GLN A 44 81.991 -8.516 38.811 1.00 0.00 H new ATOM 0 HB2 GLN A 44 83.231 -6.960 40.350 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.113 -7.354 41.641 1.00 0.00 H new ATOM 0 HG2 GLN A 44 84.110 -8.754 41.906 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.778 -9.791 41.436 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.880 -11.318 40.188 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.846 -10.905 38.768 1.00 0.00 H new ATOM 677 N LEU A 45 79.900 -8.816 41.362 1.00 0.00 N ATOM 678 CA LEU A 45 78.965 -9.790 41.994 1.00 0.00 C ATOM 679 C LEU A 45 77.592 -9.691 41.325 1.00 0.00 C ATOM 680 O LEU A 45 76.990 -8.636 41.277 1.00 0.00 O ATOM 681 CB LEU A 45 78.827 -9.458 43.481 1.00 0.00 C ATOM 682 CG LEU A 45 80.198 -9.536 44.166 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.044 -9.135 45.638 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.760 -10.972 44.074 1.00 0.00 C ATOM 0 H LEU A 45 79.961 -7.910 41.826 1.00 0.00 H new ATOM 0 HA LEU A 45 79.354 -10.801 41.874 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.407 -8.459 43.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.135 -10.154 43.955 1.00 0.00 H new ATOM 0 HG LEU A 45 80.890 -8.858 43.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.014 -9.188 46.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.660 -8.117 45.699 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.349 -9.815 46.130 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.733 -11.014 44.564 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.076 -11.663 44.567 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.868 -11.254 43.027 1.00 0.00 H new ATOM 839 N PHE B 1 96.076 -11.312 22.525 1.00 0.00 N ATOM 840 CA PHE B 1 95.252 -12.484 22.934 1.00 0.00 C ATOM 841 C PHE B 1 95.833 -13.748 22.308 1.00 0.00 C ATOM 842 O PHE B 1 95.760 -13.955 21.112 1.00 0.00 O ATOM 843 CB PHE B 1 93.810 -12.274 22.467 1.00 0.00 C ATOM 844 CG PHE B 1 93.422 -10.831 22.703 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.282 -10.351 24.011 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.217 -9.969 21.617 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.933 -9.015 24.234 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.868 -8.631 21.841 1.00 0.00 C ATOM 849 CZ PHE B 1 92.724 -8.154 23.149 1.00 0.00 C ATOM 0 H1 PHE B 1 95.463 -10.588 22.099 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.552 -10.914 23.360 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.789 -11.614 21.831 1.00 0.00 H new ATOM 0 HA PHE B 1 95.261 -12.588 24.019 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.717 -12.521 21.409 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.138 -12.938 23.010 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.444 -11.013 24.849 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.328 -10.336 20.607 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.825 -8.647 25.244 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.710 -7.967 21.004 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.452 -7.123 23.322 1.00 0.00 H new ATOM 861 N LEU B 2 96.432 -14.589 23.110 1.00 0.00 N ATOM 862 CA LEU B 2 97.049 -15.840 22.579 1.00 0.00 C ATOM 863 C LEU B 2 96.108 -17.024 22.745 1.00 0.00 C ATOM 864 O LEU B 2 95.424 -17.158 23.731 1.00 0.00 O ATOM 865 CB LEU B 2 98.355 -16.124 23.324 1.00 0.00 C ATOM 866 CG LEU B 2 99.335 -14.958 23.130 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.604 -15.231 23.946 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.698 -14.816 21.639 1.00 0.00 C ATOM 0 H LEU B 2 96.521 -14.461 24.118 1.00 0.00 H new ATOM 0 HA LEU B 2 97.248 -15.700 21.517 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.154 -16.268 24.386 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.800 -17.049 22.956 1.00 0.00 H new ATOM 0 HG LEU B 2 98.870 -14.032 23.468 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.306 -14.407 23.814 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.346 -15.322 25.001 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.064 -16.158 23.604 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.393 -13.986 21.511 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.164 -15.737 21.289 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.794 -14.624 21.061 1.00 0.00 H new ATOM 880 N ASP B 3 96.094 -17.895 21.780 1.00 0.00 N ATOM 881 CA ASP B 3 95.222 -19.095 21.863 1.00 0.00 C ATOM 882 C ASP B 3 95.623 -19.901 23.096 1.00 0.00 C ATOM 883 O ASP B 3 94.790 -20.417 23.814 1.00 0.00 O ATOM 884 CB ASP B 3 95.399 -19.948 20.605 1.00 0.00 C ATOM 885 CG ASP B 3 94.714 -19.266 19.419 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.806 -18.486 19.654 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.104 -19.539 18.297 1.00 0.00 O ATOM 0 H ASP B 3 96.654 -17.827 20.930 1.00 0.00 H new ATOM 0 HA ASP B 3 94.177 -18.794 21.939 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.459 -20.087 20.394 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.973 -20.939 20.763 1.00 0.00 H new ATOM 892 N GLY B 4 96.900 -20.002 23.355 1.00 0.00 N ATOM 893 CA GLY B 4 97.362 -20.761 24.553 1.00 0.00 C ATOM 894 C GLY B 4 96.550 -20.319 25.774 1.00 0.00 C ATOM 895 O GLY B 4 96.550 -20.964 26.802 1.00 0.00 O ATOM 0 H GLY B 4 97.643 -19.592 22.789 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.241 -21.832 24.389 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.424 -20.583 24.724 1.00 0.00 H new ATOM 899 N ILE B 5 95.842 -19.229 25.658 1.00 0.00 N ATOM 900 CA ILE B 5 95.011 -18.754 26.796 1.00 0.00 C ATOM 901 C ILE B 5 93.981 -19.834 27.140 1.00 0.00 C ATOM 902 O ILE B 5 93.716 -20.109 28.293 1.00 0.00 O ATOM 903 CB ILE B 5 94.321 -17.441 26.401 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.354 -16.313 26.408 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.200 -17.109 27.391 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.764 -15.067 25.744 1.00 0.00 C ATOM 0 H ILE B 5 95.804 -18.647 24.821 1.00 0.00 H new ATOM 0 HA ILE B 5 95.630 -18.568 27.673 1.00 0.00 H new ATOM 0 HB ILE B 5 93.890 -17.549 25.406 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.650 -16.085 27.432 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.253 -16.627 25.878 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.720 -16.175 27.098 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.463 -17.912 27.389 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.618 -17.003 28.392 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.503 -14.266 25.751 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.490 -15.298 24.715 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.878 -14.748 26.292 1.00 0.00 H new ATOM 918 N ASP B 6 93.415 -20.463 26.148 1.00 0.00 N ATOM 919 CA ASP B 6 92.424 -21.543 26.419 1.00 0.00 C ATOM 920 C ASP B 6 93.115 -22.644 27.223 1.00 0.00 C ATOM 921 O ASP B 6 92.554 -23.210 28.139 1.00 0.00 O ATOM 922 CB ASP B 6 91.922 -22.122 25.093 1.00 0.00 C ATOM 923 CG ASP B 6 91.045 -21.089 24.383 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.565 -20.188 25.052 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.868 -21.216 23.182 1.00 0.00 O ATOM 0 H ASP B 6 93.595 -20.276 25.162 1.00 0.00 H new ATOM 0 HA ASP B 6 91.578 -21.142 26.978 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.767 -22.394 24.460 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.353 -23.034 25.275 1.00 0.00 H new ATOM 930 N LYS B 7 94.338 -22.942 26.885 1.00 0.00 N ATOM 931 CA LYS B 7 95.089 -24.000 27.619 1.00 0.00 C ATOM 932 C LYS B 7 95.236 -23.578 29.081 1.00 0.00 C ATOM 933 O LYS B 7 95.146 -24.386 29.982 1.00 0.00 O ATOM 934 CB LYS B 7 96.475 -24.172 26.984 1.00 0.00 C ATOM 935 CG LYS B 7 97.256 -25.269 27.716 1.00 0.00 C ATOM 936 CD LYS B 7 98.632 -25.428 27.065 1.00 0.00 C ATOM 937 CE LYS B 7 99.437 -26.500 27.802 1.00 0.00 C ATOM 938 NZ LYS B 7 98.715 -27.803 27.744 1.00 0.00 N ATOM 0 H LYS B 7 94.854 -22.495 26.127 1.00 0.00 H new ATOM 0 HA LYS B 7 94.552 -24.947 27.565 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.371 -24.430 25.930 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.024 -23.231 27.030 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.367 -25.012 28.769 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.709 -26.211 27.673 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.518 -25.703 26.017 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.167 -24.479 27.089 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.424 -26.601 27.351 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.589 -26.204 28.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.375 -28.576 27.964 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.940 -27.802 28.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.325 -27.942 26.790 1.00 0.00 H new ATOM 952 N ALA B 8 95.468 -22.319 29.321 1.00 0.00 N ATOM 953 CA ALA B 8 95.634 -21.836 30.721 1.00 0.00 C ATOM 954 C ALA B 8 94.387 -22.171 31.547 1.00 0.00 C ATOM 955 O ALA B 8 94.469 -22.424 32.731 1.00 0.00 O ATOM 956 CB ALA B 8 95.841 -20.322 30.704 1.00 0.00 C ATOM 0 H ALA B 8 95.550 -21.598 28.604 1.00 0.00 H new ATOM 0 HA ALA B 8 96.497 -22.326 31.171 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.963 -19.960 31.725 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.733 -20.083 30.125 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.974 -19.841 30.250 1.00 0.00 H new ATOM 962 N GLN B 9 93.234 -22.167 30.939 1.00 0.00 N ATOM 963 CA GLN B 9 91.990 -22.479 31.700 1.00 0.00 C ATOM 964 C GLN B 9 92.074 -23.891 32.294 1.00 0.00 C ATOM 965 O GLN B 9 91.651 -24.133 33.408 1.00 0.00 O ATOM 966 CB GLN B 9 90.785 -22.392 30.757 1.00 0.00 C ATOM 967 CG GLN B 9 90.539 -20.933 30.372 1.00 0.00 C ATOM 968 CD GLN B 9 89.453 -20.864 29.295 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.158 -21.849 28.649 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.844 -19.731 29.072 1.00 0.00 N ATOM 0 H GLN B 9 93.098 -21.962 29.949 1.00 0.00 H new ATOM 0 HA GLN B 9 91.877 -21.760 32.511 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.966 -22.989 29.863 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.900 -22.805 31.242 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.234 -20.361 31.248 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.461 -20.483 30.003 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.092 -18.903 29.615 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.121 -19.673 28.355 1.00 0.00 H new ATOM 979 N GLU B 10 92.601 -24.826 31.554 1.00 0.00 N ATOM 980 CA GLU B 10 92.697 -26.230 32.058 1.00 0.00 C ATOM 981 C GLU B 10 93.548 -26.301 33.334 1.00 0.00 C ATOM 982 O GLU B 10 93.239 -27.038 34.249 1.00 0.00 O ATOM 983 CB GLU B 10 93.321 -27.109 30.970 1.00 0.00 C ATOM 984 CG GLU B 10 93.401 -28.563 31.447 1.00 0.00 C ATOM 985 CD GLU B 10 93.970 -29.433 30.325 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.090 -28.932 29.219 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.275 -30.584 30.590 1.00 0.00 O ATOM 0 H GLU B 10 92.972 -24.680 30.615 1.00 0.00 H new ATOM 0 HA GLU B 10 91.696 -26.586 32.300 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.726 -27.050 30.059 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.318 -26.744 30.724 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.032 -28.633 32.333 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.411 -28.919 31.732 1.00 0.00 H new ATOM 994 N GLU B 11 94.625 -25.563 33.400 1.00 0.00 N ATOM 995 CA GLU B 11 95.499 -25.621 34.618 1.00 0.00 C ATOM 996 C GLU B 11 95.096 -24.531 35.616 1.00 0.00 C ATOM 997 O GLU B 11 95.665 -24.420 36.683 1.00 0.00 O ATOM 998 CB GLU B 11 96.961 -25.412 34.205 1.00 0.00 C ATOM 999 CG GLU B 11 97.450 -26.625 33.405 1.00 0.00 C ATOM 1000 CD GLU B 11 96.854 -26.589 31.998 1.00 0.00 C ATOM 1001 OE1 GLU B 11 96.297 -25.567 31.639 1.00 0.00 O ATOM 1002 OE2 GLU B 11 96.956 -27.588 31.306 1.00 0.00 O ATOM 0 H GLU B 11 94.939 -24.924 32.669 1.00 0.00 H new ATOM 0 HA GLU B 11 95.381 -26.596 35.091 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.054 -24.507 33.605 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.583 -25.273 35.090 1.00 0.00 H new ATOM 0 HG2 GLU B 11 98.539 -26.621 33.349 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.160 -27.547 33.910 1.00 0.00 H new ATOM 1009 N CYS B 12 94.119 -23.733 35.288 1.00 0.00 N ATOM 1010 CA CYS B 12 93.684 -22.657 36.227 1.00 0.00 C ATOM 1011 C CYS B 12 93.443 -23.247 37.619 1.00 0.00 C ATOM 1012 O CYS B 12 93.732 -22.629 38.625 1.00 0.00 O ATOM 1013 CB CYS B 12 92.390 -22.025 35.716 1.00 0.00 C ATOM 1014 SG CYS B 12 91.877 -20.706 36.845 1.00 0.00 S ATOM 0 H CYS B 12 93.601 -23.778 34.410 1.00 0.00 H new ATOM 0 HA CYS B 12 94.465 -21.899 36.286 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.540 -21.623 34.714 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.608 -22.781 35.643 1.00 0.00 H new ATOM 0 HG CYS B 12 92.555 -20.793 37.951 1.00 0.00 H new ATOM 1019 N GLU B 13 92.901 -24.432 37.686 1.00 0.00 N ATOM 1020 CA GLU B 13 92.627 -25.053 39.014 1.00 0.00 C ATOM 1021 C GLU B 13 93.937 -25.203 39.795 1.00 0.00 C ATOM 1022 O GLU B 13 93.984 -24.982 40.988 1.00 0.00 O ATOM 1023 CB GLU B 13 91.988 -26.432 38.798 1.00 0.00 C ATOM 1024 CG GLU B 13 91.639 -27.076 40.145 1.00 0.00 C ATOM 1025 CD GLU B 13 90.587 -26.229 40.864 1.00 0.00 C ATOM 1026 OE1 GLU B 13 89.925 -25.451 40.197 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.462 -26.373 42.068 1.00 0.00 O ATOM 0 H GLU B 13 92.636 -24.997 36.879 1.00 0.00 H new ATOM 0 HA GLU B 13 91.947 -24.420 39.584 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.088 -26.332 38.191 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.674 -27.075 38.247 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.262 -28.087 39.989 1.00 0.00 H new ATOM 0 HG3 GLU B 13 92.534 -27.162 40.761 1.00 0.00 H new ATOM 1034 N LYS B 14 95.001 -25.578 39.138 1.00 0.00 N ATOM 1035 CA LYS B 14 96.298 -25.738 39.859 1.00 0.00 C ATOM 1036 C LYS B 14 96.842 -24.370 40.288 1.00 0.00 C ATOM 1037 O LYS B 14 97.556 -24.261 41.265 1.00 0.00 O ATOM 1038 CB LYS B 14 97.314 -26.448 38.958 1.00 0.00 C ATOM 1039 CG LYS B 14 96.897 -27.914 38.778 1.00 0.00 C ATOM 1040 CD LYS B 14 97.998 -28.684 38.038 1.00 0.00 C ATOM 1041 CE LYS B 14 98.020 -28.291 36.558 1.00 0.00 C ATOM 1042 NZ LYS B 14 98.831 -29.285 35.800 1.00 0.00 N ATOM 0 H LYS B 14 95.030 -25.780 38.139 1.00 0.00 H new ATOM 0 HA LYS B 14 96.130 -26.342 40.751 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.367 -25.952 37.989 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.309 -26.393 39.399 1.00 0.00 H new ATOM 0 HG2 LYS B 14 96.713 -28.371 39.750 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.963 -27.969 38.218 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.966 -28.473 38.492 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.828 -29.756 38.134 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.004 -28.256 36.164 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.443 -27.293 36.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.849 -29.023 34.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.802 -29.297 36.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.408 -30.230 35.904 1.00 0.00 H new ATOM 1056 N TYR B 15 96.513 -23.322 39.578 1.00 0.00 N ATOM 1057 CA TYR B 15 97.021 -21.971 39.972 1.00 0.00 C ATOM 1058 C TYR B 15 96.082 -21.367 41.017 1.00 0.00 C ATOM 1059 O TYR B 15 96.429 -20.426 41.702 1.00 0.00 O ATOM 1060 CB TYR B 15 97.069 -21.048 38.749 1.00 0.00 C ATOM 1061 CG TYR B 15 98.188 -21.477 37.827 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.513 -21.148 38.136 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.901 -22.204 36.666 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.551 -21.544 37.284 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.940 -22.601 35.813 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.264 -22.271 36.123 1.00 0.00 C ATOM 1067 OH TYR B 15 101.287 -22.663 35.283 1.00 0.00 O ATOM 0 H TYR B 15 95.919 -23.341 38.749 1.00 0.00 H new ATOM 0 HA TYR B 15 98.025 -22.073 40.383 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.117 -21.081 38.220 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.222 -20.016 39.066 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.735 -20.588 39.033 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.879 -22.459 36.427 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.573 -21.289 37.523 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.719 -23.161 34.917 1.00 0.00 H new ATOM 0 HH TYR B 15 102.112 -22.197 35.533 1.00 0.00 H new ATOM 1077 N HIS B 16 94.899 -21.906 41.142 1.00 0.00 N ATOM 1078 CA HIS B 16 93.930 -21.380 42.148 1.00 0.00 C ATOM 1079 C HIS B 16 93.647 -19.900 41.876 1.00 0.00 C ATOM 1080 O HIS B 16 93.502 -19.481 40.745 1.00 0.00 O ATOM 1081 CB HIS B 16 94.501 -21.547 43.558 1.00 0.00 C ATOM 1082 CG HIS B 16 94.955 -22.967 43.749 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.060 -24.021 43.866 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.207 -23.525 43.842 1.00 0.00 C ATOM 1085 CE1 HIS B 16 94.779 -25.148 44.021 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.089 -24.899 44.014 1.00 0.00 N ATOM 0 H HIS B 16 94.560 -22.692 40.588 1.00 0.00 H new ATOM 0 HA HIS B 16 92.999 -21.941 42.071 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.337 -20.863 43.707 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.745 -21.292 44.301 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.138 -22.980 43.790 1.00 0.00 H new ATOM 0 HE1 HIS B 16 94.349 -26.132 44.137 1.00 0.00 H new ATOM 0 HE2 HIS B 16 96.846 -25.575 44.114 1.00 0.00 H new ATOM 1095 N SER B 17 93.561 -19.108 42.910 1.00 0.00 N ATOM 1096 CA SER B 17 93.276 -17.655 42.730 1.00 0.00 C ATOM 1097 C SER B 17 94.578 -16.898 42.456 1.00 0.00 C ATOM 1098 O SER B 17 94.579 -15.696 42.287 1.00 0.00 O ATOM 1099 CB SER B 17 92.628 -17.103 44.000 1.00 0.00 C ATOM 1100 OG SER B 17 91.428 -17.818 44.261 1.00 0.00 O ATOM 0 H SER B 17 93.677 -19.407 43.878 1.00 0.00 H new ATOM 0 HA SER B 17 92.600 -17.525 41.885 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.313 -17.198 44.843 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.414 -16.041 43.881 1.00 0.00 H new ATOM 0 HG SER B 17 91.010 -17.469 45.076 1.00 0.00 H new ATOM 1106 N ASN B 18 95.691 -17.584 42.420 1.00 0.00 N ATOM 1107 CA ASN B 18 96.982 -16.879 42.169 1.00 0.00 C ATOM 1108 C ASN B 18 97.139 -16.604 40.675 1.00 0.00 C ATOM 1109 O ASN B 18 97.861 -17.287 39.978 1.00 0.00 O ATOM 1110 CB ASN B 18 98.146 -17.751 42.640 1.00 0.00 C ATOM 1111 CG ASN B 18 98.147 -17.822 44.167 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.564 -16.984 44.826 1.00 0.00 O ATOM 1113 ND2 ASN B 18 98.789 -18.789 44.760 1.00 0.00 N ATOM 0 H ASN B 18 95.762 -18.593 42.552 1.00 0.00 H new ATOM 0 HA ASN B 18 96.983 -15.937 42.717 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.057 -18.753 42.219 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.090 -17.338 42.284 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.802 -18.843 45.778 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.278 -19.492 44.206 1.00 0.00 H new ATOM 1120 N TRP B 19 96.476 -15.597 40.183 1.00 0.00 N ATOM 1121 CA TRP B 19 96.594 -15.265 38.738 1.00 0.00 C ATOM 1122 C TRP B 19 97.993 -14.706 38.464 1.00 0.00 C ATOM 1123 O TRP B 19 98.495 -14.783 37.360 1.00 0.00 O ATOM 1124 CB TRP B 19 95.531 -14.226 38.368 1.00 0.00 C ATOM 1125 CG TRP B 19 95.713 -12.999 39.204 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.132 -12.787 40.407 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.511 -11.814 38.920 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.522 -11.547 40.879 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.371 -10.908 39.999 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.335 -11.440 37.843 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.024 -9.675 40.007 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.994 -10.200 37.849 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.838 -9.319 38.929 1.00 0.00 C ATOM 0 H TRP B 19 95.857 -14.989 40.719 1.00 0.00 H new ATOM 0 HA TRP B 19 96.441 -16.161 38.136 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.609 -13.972 37.311 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.535 -14.640 38.524 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.472 -13.474 40.916 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.219 -11.153 41.770 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.462 -12.111 37.006 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.901 -9.000 40.841 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.625 -9.923 37.017 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.347 -8.366 38.927 1.00 0.00 H new ATOM 1144 N ARG B 20 98.628 -14.146 39.459 1.00 0.00 N ATOM 1145 CA ARG B 20 99.995 -13.589 39.247 1.00 0.00 C ATOM 1146 C ARG B 20 100.948 -14.695 38.796 1.00 0.00 C ATOM 1147 O ARG B 20 101.783 -14.493 37.936 1.00 0.00 O ATOM 1148 CB ARG B 20 100.519 -12.977 40.551 1.00 0.00 C ATOM 1149 CG ARG B 20 99.744 -11.698 40.880 1.00 0.00 C ATOM 1150 CD ARG B 20 100.292 -11.083 42.173 1.00 0.00 C ATOM 1151 NE ARG B 20 99.535 -9.839 42.494 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.633 -9.302 43.681 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.401 -9.848 44.585 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.963 -8.217 43.964 1.00 0.00 N ATOM 0 H ARG B 20 98.261 -14.051 40.406 1.00 0.00 H new ATOM 0 HA ARG B 20 99.941 -12.819 38.477 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.416 -13.694 41.366 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.582 -12.753 40.456 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.833 -10.985 40.060 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.683 -11.922 40.993 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.204 -11.796 42.993 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.352 -10.857 42.059 1.00 0.00 H new ATOM 0 HE ARG B 20 98.940 -9.407 41.787 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.925 -10.695 44.365 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.477 -9.428 45.511 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.363 -7.789 43.258 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.039 -7.798 44.891 1.00 0.00 H new ATOM 1168 N ALA B 21 100.840 -15.860 39.369 1.00 0.00 N ATOM 1169 CA ALA B 21 101.752 -16.969 38.969 1.00 0.00 C ATOM 1170 C ALA B 21 101.470 -17.372 37.520 1.00 0.00 C ATOM 1171 O ALA B 21 102.370 -17.496 36.714 1.00 0.00 O ATOM 1172 CB ALA B 21 101.526 -18.173 39.888 1.00 0.00 C ATOM 0 H ALA B 21 100.162 -16.093 40.095 1.00 0.00 H new ATOM 0 HA ALA B 21 102.786 -16.634 39.055 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.193 -18.984 39.596 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.733 -17.887 40.919 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.491 -18.506 39.804 1.00 0.00 H new ATOM 1178 N MET B 22 100.226 -17.579 37.184 1.00 0.00 N ATOM 1179 CA MET B 22 99.883 -17.977 35.790 1.00 0.00 C ATOM 1180 C MET B 22 100.328 -16.885 34.811 1.00 0.00 C ATOM 1181 O MET B 22 100.834 -17.169 33.745 1.00 0.00 O ATOM 1182 CB MET B 22 98.371 -18.189 35.687 1.00 0.00 C ATOM 1183 CG MET B 22 98.009 -18.637 34.271 1.00 0.00 C ATOM 1184 SD MET B 22 96.291 -19.213 34.246 1.00 0.00 S ATOM 1185 CE MET B 22 95.508 -17.673 34.782 1.00 0.00 C ATOM 0 H MET B 22 99.431 -17.489 37.817 1.00 0.00 H new ATOM 0 HA MET B 22 100.398 -18.904 35.537 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.049 -18.939 36.410 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.847 -17.265 35.932 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.138 -17.811 33.572 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.677 -19.435 33.948 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.455 -17.684 34.502 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.595 -17.578 35.864 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.002 -16.828 34.303 1.00 0.00 H new ATOM 1195 N ALA B 23 100.154 -15.641 35.162 1.00 0.00 N ATOM 1196 CA ALA B 23 100.580 -14.549 34.241 1.00 0.00 C ATOM 1197 C ALA B 23 102.082 -14.676 33.967 1.00 0.00 C ATOM 1198 O ALA B 23 102.541 -14.473 32.860 1.00 0.00 O ATOM 1199 CB ALA B 23 100.284 -13.191 34.883 1.00 0.00 C ATOM 0 H ALA B 23 99.738 -15.334 36.041 1.00 0.00 H new ATOM 0 HA ALA B 23 100.032 -14.627 33.302 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.596 -12.394 34.208 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.215 -13.105 35.076 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.830 -13.106 35.822 1.00 0.00 H new ATOM 1205 N SER B 24 102.850 -15.002 34.971 1.00 0.00 N ATOM 1206 CA SER B 24 104.322 -15.135 34.776 1.00 0.00 C ATOM 1207 C SER B 24 104.632 -16.332 33.872 1.00 0.00 C ATOM 1208 O SER B 24 105.535 -16.287 33.061 1.00 0.00 O ATOM 1209 CB SER B 24 105.003 -15.330 36.131 1.00 0.00 C ATOM 1210 OG SER B 24 106.404 -15.478 35.933 1.00 0.00 O ATOM 0 H SER B 24 102.521 -15.182 35.919 1.00 0.00 H new ATOM 0 HA SER B 24 104.698 -14.228 34.304 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.803 -14.476 36.778 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.599 -16.210 36.631 1.00 0.00 H new ATOM 0 HG SER B 24 106.846 -15.602 36.799 1.00 0.00 H new ATOM 1216 N ASP B 25 103.902 -17.405 34.011 1.00 0.00 N ATOM 1217 CA ASP B 25 104.179 -18.602 33.161 1.00 0.00 C ATOM 1218 C ASP B 25 103.804 -18.313 31.707 1.00 0.00 C ATOM 1219 O ASP B 25 104.505 -18.698 30.792 1.00 0.00 O ATOM 1220 CB ASP B 25 103.364 -19.794 33.664 1.00 0.00 C ATOM 1221 CG ASP B 25 103.915 -20.265 35.012 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.053 -19.945 35.309 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.192 -20.947 35.720 1.00 0.00 O ATOM 0 H ASP B 25 103.131 -17.506 34.671 1.00 0.00 H new ATOM 0 HA ASP B 25 105.242 -18.834 33.219 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.316 -19.513 33.767 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.406 -20.607 32.939 1.00 0.00 H new ATOM 1228 N PHE B 26 102.712 -17.634 31.480 1.00 0.00 N ATOM 1229 CA PHE B 26 102.304 -17.314 30.076 1.00 0.00 C ATOM 1230 C PHE B 26 102.813 -15.919 29.707 1.00 0.00 C ATOM 1231 O PHE B 26 102.622 -15.448 28.603 1.00 0.00 O ATOM 1232 CB PHE B 26 100.779 -17.361 29.960 1.00 0.00 C ATOM 1233 CG PHE B 26 100.307 -18.796 30.061 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.993 -19.348 31.309 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.179 -19.573 28.901 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.555 -20.675 31.398 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.741 -20.900 28.992 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.429 -21.450 30.240 1.00 0.00 C ATOM 0 H PHE B 26 102.083 -17.286 32.204 1.00 0.00 H new ATOM 0 HA PHE B 26 102.734 -18.047 29.394 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.325 -16.762 30.749 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.463 -16.929 29.010 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.089 -18.750 32.203 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.418 -19.148 27.937 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.314 -21.100 32.361 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.644 -21.499 28.099 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.091 -22.473 30.310 1.00 0.00 H new ATOM 1248 N ASN B 27 103.479 -15.264 30.620 1.00 0.00 N ATOM 1249 CA ASN B 27 104.027 -13.910 30.325 1.00 0.00 C ATOM 1250 C ASN B 27 102.933 -13.005 29.753 1.00 0.00 C ATOM 1251 O ASN B 27 103.127 -12.354 28.746 1.00 0.00 O ATOM 1252 CB ASN B 27 105.157 -14.044 29.305 1.00 0.00 C ATOM 1253 CG ASN B 27 106.255 -14.939 29.880 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.690 -15.876 29.240 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.725 -14.691 31.073 1.00 0.00 N ATOM 0 H ASN B 27 103.667 -15.611 31.561 1.00 0.00 H new ATOM 0 HA ASN B 27 104.402 -13.467 31.247 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.775 -14.468 28.376 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.562 -13.061 29.063 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.456 -15.283 31.466 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.361 -13.905 31.611 1.00 0.00 H new ATOM 1262 N LEU B 28 101.786 -12.953 30.390 1.00 0.00 N ATOM 1263 CA LEU B 28 100.669 -12.082 29.890 1.00 0.00 C ATOM 1264 C LEU B 28 100.365 -10.998 30.934 1.00 0.00 C ATOM 1265 O LEU B 28 100.546 -11.209 32.117 1.00 0.00 O ATOM 1266 CB LEU B 28 99.410 -12.936 29.697 1.00 0.00 C ATOM 1267 CG LEU B 28 99.546 -13.822 28.446 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.571 -15.004 28.547 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.209 -13.011 27.179 1.00 0.00 C ATOM 0 H LEU B 28 101.573 -13.478 31.238 1.00 0.00 H new ATOM 0 HA LEU B 28 100.962 -11.623 28.946 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.249 -13.560 30.576 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.537 -12.291 29.600 1.00 0.00 H new ATOM 0 HG LEU B 28 100.572 -14.184 28.384 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.667 -15.632 27.661 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.803 -15.592 29.435 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.550 -14.629 28.617 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.309 -13.649 26.301 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.185 -12.642 27.245 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.894 -12.167 27.094 1.00 0.00 H new ATOM 1281 N PRO B 29 99.893 -9.848 30.510 1.00 0.00 N ATOM 1282 CA PRO B 29 99.550 -8.736 31.445 1.00 0.00 C ATOM 1283 C PRO B 29 98.294 -9.062 32.280 1.00 0.00 C ATOM 1284 O PRO B 29 97.484 -9.875 31.881 1.00 0.00 O ATOM 1285 CB PRO B 29 99.296 -7.542 30.511 1.00 0.00 C ATOM 1286 CG PRO B 29 98.864 -8.159 29.221 1.00 0.00 C ATOM 1287 CD PRO B 29 99.636 -9.473 29.107 1.00 0.00 C ATOM 0 HA PRO B 29 100.338 -8.547 32.174 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.527 -6.882 30.912 1.00 0.00 H new ATOM 0 HB3 PRO B 29 100.196 -6.941 30.381 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.788 -8.336 29.213 1.00 0.00 H new ATOM 0 HG3 PRO B 29 99.085 -7.502 28.380 1.00 0.00 H new ATOM 0 HD2 PRO B 29 99.055 -10.236 28.588 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.564 -9.346 28.550 1.00 0.00 H new ATOM 1295 N PRO B 30 98.128 -8.439 33.425 1.00 0.00 N ATOM 1296 CA PRO B 30 96.943 -8.681 34.306 1.00 0.00 C ATOM 1297 C PRO B 30 95.603 -8.701 33.544 1.00 0.00 C ATOM 1298 O PRO B 30 94.639 -9.285 33.994 1.00 0.00 O ATOM 1299 CB PRO B 30 96.972 -7.500 35.287 1.00 0.00 C ATOM 1300 CG PRO B 30 98.409 -7.091 35.370 1.00 0.00 C ATOM 1301 CD PRO B 30 99.046 -7.440 34.016 1.00 0.00 C ATOM 0 HA PRO B 30 97.005 -9.661 34.780 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.349 -6.679 34.932 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.589 -7.791 36.265 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.497 -6.024 35.575 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.914 -7.614 36.182 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.137 -6.559 33.381 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.049 -7.847 34.142 1.00 0.00 H new ATOM 1309 N VAL B 31 95.524 -8.051 32.414 1.00 0.00 N ATOM 1310 CA VAL B 31 94.228 -8.024 31.665 1.00 0.00 C ATOM 1311 C VAL B 31 93.793 -9.441 31.291 1.00 0.00 C ATOM 1312 O VAL B 31 92.663 -9.829 31.516 1.00 0.00 O ATOM 1313 CB VAL B 31 94.398 -7.193 30.381 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.169 -7.355 29.470 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.556 -5.713 30.750 1.00 0.00 C ATOM 0 H VAL B 31 96.292 -7.541 31.978 1.00 0.00 H new ATOM 0 HA VAL B 31 93.465 -7.577 32.303 1.00 0.00 H new ATOM 0 HB VAL B 31 95.283 -7.544 29.851 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.305 -6.761 28.566 1.00 0.00 H new ATOM 0 HG12 VAL B 31 93.052 -8.405 29.200 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.278 -7.014 29.997 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.677 -5.122 29.842 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.670 -5.375 31.287 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.434 -5.588 31.384 1.00 0.00 H new ATOM 1325 N VAL B 32 94.660 -10.214 30.710 1.00 0.00 N ATOM 1326 CA VAL B 32 94.264 -11.592 30.315 1.00 0.00 C ATOM 1327 C VAL B 32 94.246 -12.515 31.535 1.00 0.00 C ATOM 1328 O VAL B 32 93.376 -13.349 31.674 1.00 0.00 O ATOM 1329 CB VAL B 32 95.247 -12.121 29.279 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.848 -13.540 28.878 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.213 -11.214 28.048 1.00 0.00 C ATOM 0 H VAL B 32 95.622 -9.955 30.491 1.00 0.00 H new ATOM 0 HA VAL B 32 93.261 -11.565 29.889 1.00 0.00 H new ATOM 0 HB VAL B 32 96.253 -12.133 29.698 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.551 -13.920 28.136 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.864 -14.185 29.757 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.844 -13.530 28.454 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.915 -11.587 27.302 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.207 -11.207 27.629 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.493 -10.200 28.335 1.00 0.00 H new ATOM 1341 N ALA B 33 95.198 -12.386 32.419 1.00 0.00 N ATOM 1342 CA ALA B 33 95.220 -13.277 33.615 1.00 0.00 C ATOM 1343 C ALA B 33 93.936 -13.085 34.421 1.00 0.00 C ATOM 1344 O ALA B 33 93.239 -14.029 34.738 1.00 0.00 O ATOM 1345 CB ALA B 33 96.430 -12.924 34.484 1.00 0.00 C ATOM 0 H ALA B 33 95.957 -11.707 32.366 1.00 0.00 H new ATOM 0 HA ALA B 33 95.290 -14.317 33.295 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.451 -13.573 35.360 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.345 -13.063 33.908 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.357 -11.885 34.804 1.00 0.00 H new ATOM 1351 N LYS B 34 93.614 -11.868 34.743 1.00 0.00 N ATOM 1352 CA LYS B 34 92.368 -11.605 35.511 1.00 0.00 C ATOM 1353 C LYS B 34 91.163 -12.104 34.716 1.00 0.00 C ATOM 1354 O LYS B 34 90.228 -12.656 35.260 1.00 0.00 O ATOM 1355 CB LYS B 34 92.231 -10.105 35.766 1.00 0.00 C ATOM 1356 CG LYS B 34 93.266 -9.662 36.803 1.00 0.00 C ATOM 1357 CD LYS B 34 93.121 -8.159 37.052 1.00 0.00 C ATOM 1358 CE LYS B 34 94.122 -7.710 38.119 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.293 -6.232 38.041 1.00 0.00 N ATOM 0 H LYS B 34 94.161 -11.040 34.507 1.00 0.00 H new ATOM 0 HA LYS B 34 92.413 -12.130 36.465 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.374 -9.554 34.837 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.226 -9.877 36.121 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.124 -10.212 37.733 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.272 -9.888 36.449 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.292 -7.610 36.126 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.105 -7.931 37.375 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.768 -7.995 39.110 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.080 -8.207 37.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.973 -5.923 38.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.649 -5.973 37.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.377 -5.767 38.205 1.00 0.00 H new ATOM 1373 N GLU B 35 91.175 -11.898 33.431 1.00 0.00 N ATOM 1374 CA GLU B 35 90.029 -12.341 32.589 1.00 0.00 C ATOM 1375 C GLU B 35 89.859 -13.855 32.670 1.00 0.00 C ATOM 1376 O GLU B 35 88.753 -14.356 32.718 1.00 0.00 O ATOM 1377 CB GLU B 35 90.275 -11.950 31.134 1.00 0.00 C ATOM 1378 CG GLU B 35 89.016 -12.238 30.306 1.00 0.00 C ATOM 1379 CD GLU B 35 88.928 -13.732 29.968 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.936 -14.410 30.072 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.848 -14.172 29.608 1.00 0.00 O ATOM 0 H GLU B 35 91.932 -11.440 32.924 1.00 0.00 H new ATOM 0 HA GLU B 35 89.125 -11.857 32.958 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.532 -10.893 31.069 1.00 0.00 H new ATOM 0 HB3 GLU B 35 91.121 -12.509 30.734 1.00 0.00 H new ATOM 0 HG2 GLU B 35 88.130 -11.932 30.862 1.00 0.00 H new ATOM 0 HG3 GLU B 35 89.035 -11.651 29.388 1.00 0.00 H new ATOM 1388 N ILE B 36 90.932 -14.597 32.676 1.00 0.00 N ATOM 1389 CA ILE B 36 90.787 -16.076 32.741 1.00 0.00 C ATOM 1390 C ILE B 36 90.048 -16.412 34.033 1.00 0.00 C ATOM 1391 O ILE B 36 89.175 -17.257 34.064 1.00 0.00 O ATOM 1392 CB ILE B 36 92.172 -16.729 32.737 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.817 -16.540 31.362 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.037 -18.224 33.022 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.292 -16.945 31.427 1.00 0.00 C ATOM 0 H ILE B 36 91.890 -14.248 32.639 1.00 0.00 H new ATOM 0 HA ILE B 36 90.231 -16.449 31.881 1.00 0.00 H new ATOM 0 HB ILE B 36 92.791 -16.265 33.505 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.296 -17.144 30.619 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.728 -15.500 31.047 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.024 -18.686 33.018 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.573 -18.368 33.998 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.418 -18.686 32.254 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.750 -16.810 30.447 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.808 -16.323 32.158 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.369 -17.991 31.722 1.00 0.00 H new ATOM 1407 N VAL B 37 90.369 -15.725 35.091 1.00 0.00 N ATOM 1408 CA VAL B 37 89.663 -15.960 36.375 1.00 0.00 C ATOM 1409 C VAL B 37 88.219 -15.477 36.214 1.00 0.00 C ATOM 1410 O VAL B 37 87.285 -16.092 36.688 1.00 0.00 O ATOM 1411 CB VAL B 37 90.353 -15.163 37.484 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.501 -15.195 38.758 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.730 -15.773 37.762 1.00 0.00 C ATOM 0 H VAL B 37 91.094 -15.008 35.120 1.00 0.00 H new ATOM 0 HA VAL B 37 89.680 -17.018 36.636 1.00 0.00 H new ATOM 0 HB VAL B 37 90.472 -14.127 37.167 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.999 -14.626 39.543 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.525 -14.755 38.554 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.373 -16.227 39.084 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.225 -15.208 38.552 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.612 -16.810 38.077 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.334 -15.736 36.856 1.00 0.00 H new ATOM 1423 N ALA B 38 88.044 -14.370 35.545 1.00 0.00 N ATOM 1424 CA ALA B 38 86.676 -13.817 35.334 1.00 0.00 C ATOM 1425 C ALA B 38 85.816 -14.832 34.571 1.00 0.00 C ATOM 1426 O ALA B 38 84.602 -14.795 34.630 1.00 0.00 O ATOM 1427 CB ALA B 38 86.771 -12.513 34.532 1.00 0.00 C ATOM 0 H ALA B 38 88.797 -13.820 35.132 1.00 0.00 H new ATOM 0 HA ALA B 38 86.215 -13.616 36.301 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.771 -12.108 34.377 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.374 -11.791 35.082 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.235 -12.713 33.566 1.00 0.00 H new ATOM 1433 N SER B 39 86.430 -15.732 33.845 1.00 0.00 N ATOM 1434 CA SER B 39 85.638 -16.739 33.071 1.00 0.00 C ATOM 1435 C SER B 39 85.503 -18.019 33.893 1.00 0.00 C ATOM 1436 O SER B 39 84.479 -18.674 33.871 1.00 0.00 O ATOM 1437 CB SER B 39 86.359 -17.054 31.758 1.00 0.00 C ATOM 1438 OG SER B 39 86.492 -15.861 30.997 1.00 0.00 O ATOM 0 H SER B 39 87.443 -15.814 33.754 1.00 0.00 H new ATOM 0 HA SER B 39 84.648 -16.336 32.857 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.341 -17.480 31.962 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.800 -17.799 31.192 1.00 0.00 H new ATOM 0 HG SER B 39 87.420 -15.767 30.695 1.00 0.00 H new ATOM 1444 N CYS B 40 86.514 -18.376 34.635 1.00 0.00 N ATOM 1445 CA CYS B 40 86.410 -19.605 35.467 1.00 0.00 C ATOM 1446 C CYS B 40 85.234 -19.430 36.429 1.00 0.00 C ATOM 1447 O CYS B 40 85.131 -18.435 37.114 1.00 0.00 O ATOM 1448 CB CYS B 40 87.708 -19.804 36.250 1.00 0.00 C ATOM 1449 SG CYS B 40 87.666 -21.409 37.083 1.00 0.00 S ATOM 0 H CYS B 40 87.400 -17.875 34.701 1.00 0.00 H new ATOM 0 HA CYS B 40 86.248 -20.481 34.838 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.563 -19.754 35.576 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.831 -19.005 36.981 1.00 0.00 H new ATOM 0 HG CYS B 40 88.770 -21.582 37.748 1.00 0.00 H new ATOM 1454 N ASP B 41 84.335 -20.372 36.468 1.00 0.00 N ATOM 1455 CA ASP B 41 83.148 -20.241 37.363 1.00 0.00 C ATOM 1456 C ASP B 41 83.533 -20.495 38.823 1.00 0.00 C ATOM 1457 O ASP B 41 82.967 -19.915 39.730 1.00 0.00 O ATOM 1458 CB ASP B 41 82.088 -21.254 36.933 1.00 0.00 C ATOM 1459 CG ASP B 41 81.497 -20.834 35.586 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.535 -19.652 35.288 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.021 -21.702 34.873 1.00 0.00 O ATOM 0 H ASP B 41 84.369 -21.230 35.918 1.00 0.00 H new ATOM 0 HA ASP B 41 82.757 -19.227 37.283 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.530 -22.247 36.854 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.301 -21.314 37.685 1.00 0.00 H new ATOM 1466 N LYS B 42 84.466 -21.370 39.064 1.00 0.00 N ATOM 1467 CA LYS B 42 84.856 -21.674 40.471 1.00 0.00 C ATOM 1468 C LYS B 42 85.595 -20.485 41.092 1.00 0.00 C ATOM 1469 O LYS B 42 85.383 -20.142 42.238 1.00 0.00 O ATOM 1470 CB LYS B 42 85.780 -22.892 40.471 1.00 0.00 C ATOM 1471 CG LYS B 42 84.994 -24.124 40.026 1.00 0.00 C ATOM 1472 CD LYS B 42 85.915 -25.343 40.025 1.00 0.00 C ATOM 1473 CE LYS B 42 85.128 -26.576 39.577 1.00 0.00 C ATOM 1474 NZ LYS B 42 84.444 -26.287 38.284 1.00 0.00 N ATOM 0 H LYS B 42 84.977 -21.889 38.350 1.00 0.00 H new ATOM 0 HA LYS B 42 83.958 -21.874 41.056 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.623 -22.723 39.801 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.192 -23.050 41.468 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.151 -24.292 40.696 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.582 -23.965 39.029 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.759 -25.174 39.356 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.326 -25.503 41.022 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.799 -27.427 39.463 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.394 -26.848 40.336 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.200 -27.181 37.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.576 -25.743 38.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.078 -25.735 37.672 1.00 0.00 H new ATOM 1488 N CYS B 43 86.468 -19.859 40.351 1.00 0.00 N ATOM 1489 CA CYS B 43 87.230 -18.698 40.903 1.00 0.00 C ATOM 1490 C CYS B 43 86.436 -17.402 40.706 1.00 0.00 C ATOM 1491 O CYS B 43 86.886 -16.332 41.064 1.00 0.00 O ATOM 1492 CB CYS B 43 88.583 -18.589 40.197 1.00 0.00 C ATOM 1493 SG CYS B 43 89.523 -20.115 40.458 1.00 0.00 S ATOM 0 H CYS B 43 86.688 -20.101 39.385 1.00 0.00 H new ATOM 0 HA CYS B 43 87.390 -18.854 41.970 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.436 -18.417 39.131 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.140 -17.735 40.584 1.00 0.00 H new ATOM 0 HG CYS B 43 90.672 -20.025 39.857 1.00 0.00 H new ATOM 1498 N GLN B 44 85.265 -17.481 40.133 1.00 0.00 N ATOM 1499 CA GLN B 44 84.465 -16.240 39.911 1.00 0.00 C ATOM 1500 C GLN B 44 83.974 -15.702 41.255 1.00 0.00 C ATOM 1501 O GLN B 44 84.270 -14.586 41.634 1.00 0.00 O ATOM 1502 CB GLN B 44 83.256 -16.561 39.022 1.00 0.00 C ATOM 1503 CG GLN B 44 82.467 -15.282 38.718 1.00 0.00 C ATOM 1504 CD GLN B 44 83.339 -14.328 37.896 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.999 -14.743 36.965 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.367 -13.059 38.201 1.00 0.00 N ATOM 0 H GLN B 44 84.829 -18.345 39.811 1.00 0.00 H new ATOM 0 HA GLN B 44 85.089 -15.491 39.423 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.591 -17.020 38.092 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.611 -17.285 39.520 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.557 -15.525 38.169 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.160 -14.802 39.647 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.813 -12.710 38.983 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.943 -12.416 37.657 1.00 0.00 H new ATOM 1515 N LEU B 45 83.219 -16.482 41.973 1.00 0.00 N ATOM 1516 CA LEU B 45 82.698 -16.016 43.289 1.00 0.00 C ATOM 1517 C LEU B 45 83.735 -16.301 44.379 1.00 0.00 C ATOM 1518 O LEU B 45 84.162 -17.423 44.566 1.00 0.00 O ATOM 1519 CB LEU B 45 81.405 -16.769 43.614 1.00 0.00 C ATOM 1520 CG LEU B 45 80.360 -16.510 42.522 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.102 -17.327 42.833 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.006 -15.010 42.467 1.00 0.00 C ATOM 0 H LEU B 45 82.938 -17.426 41.706 1.00 0.00 H new ATOM 0 HA LEU B 45 82.501 -14.945 43.245 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.606 -17.838 43.691 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.020 -16.447 44.581 1.00 0.00 H new ATOM 0 HG LEU B 45 80.766 -16.807 41.555 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.353 -17.149 42.062 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.354 -18.387 42.857 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.703 -17.027 43.802 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.263 -14.840 41.688 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.601 -14.696 43.429 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.903 -14.432 42.245 1.00 0.00 H new