USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 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 40 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 44 GLN : amide:sc= -4.98! K(o=-6.9!,f=-8) USER MOD Set 2.2: B 44 GLN : amide:sc= -1.91 K(o=-6.9,f=-8!) USER MOD Set 3.1: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 149:sc= 1.16 (180deg=0.336) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.107 (180deg=-0.593) USER MOD Single : A 9 GLN : amide:sc= -0.0032 K(o=-0.0032,f=-0.79) USER MOD Single : A 12 CYS SG : rot 170:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -58:sc= 1.19 USER MOD Single : A 16 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0434 K(o=-0.043,f=-2!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.205 (180deg=-1.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.546 F(o=-1.9,f=-0.55) USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.196 (180deg=-1.25!) USER MOD Single : A 39 SER OG : rot 126:sc= 0.129 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 131:sc= 1.13 (180deg=0.29) USER MOD Single : B 7 LYS NZ :NH3+ 159:sc= -0.0541 (180deg=-0.567) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : B 12 CYS SG : rot 170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -19:sc= 1.1 USER MOD Single : B 16 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0436 K(o=-0.044,f=-2.1!) USER MOD Single : B 22 MET CE :methyl 158:sc= -0.174 (180deg=-1.23) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.569 F(o=-2,f=-0.57) USER MOD Single : B 34 LYS NZ :NH3+ 144:sc= -0.251 (180deg=-1.22!) USER MOD Single : B 39 SER OG : rot 127:sc= 0.138 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.270 -4.442 24.149 1.00 0.00 N ATOM 2 CA PHE A 1 94.913 -3.593 25.190 1.00 0.00 C ATOM 3 C PHE A 1 94.914 -2.140 24.723 1.00 0.00 C ATOM 4 O PHE A 1 95.948 -1.525 24.559 1.00 0.00 O ATOM 5 CB PHE A 1 96.350 -4.059 25.403 1.00 0.00 C ATOM 6 CG PHE A 1 96.393 -5.572 25.445 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.941 -6.257 26.581 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.884 -6.290 24.346 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.984 -7.659 26.616 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.924 -7.689 24.382 1.00 0.00 C ATOM 11 CZ PHE A 1 96.475 -8.372 25.517 1.00 0.00 C ATOM 0 H1 PHE A 1 94.695 -5.391 24.164 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.251 -4.516 24.342 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.414 -4.013 23.213 1.00 0.00 H new ATOM 0 HA PHE A 1 94.361 -3.676 26.126 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.986 -3.689 24.598 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.742 -3.648 26.333 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.560 -5.706 27.428 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.232 -5.763 23.470 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.638 -8.188 27.492 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.301 -8.241 23.534 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.507 -9.451 25.545 1.00 0.00 H new ATOM 23 N LEU A 2 93.756 -1.597 24.496 1.00 0.00 N ATOM 24 CA LEU A 2 93.657 -0.184 24.023 1.00 0.00 C ATOM 25 C LEU A 2 93.475 0.769 25.198 1.00 0.00 C ATOM 26 O LEU A 2 92.841 0.455 26.180 1.00 0.00 O ATOM 27 CB LEU A 2 92.471 -0.037 23.063 1.00 0.00 C ATOM 28 CG LEU A 2 92.677 -0.912 21.820 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.421 -0.837 20.944 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.893 -0.417 21.013 1.00 0.00 C ATOM 0 H LEU A 2 92.862 -2.072 24.618 1.00 0.00 H new ATOM 0 HA LEU A 2 94.583 0.068 23.506 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.549 -0.323 23.568 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.362 1.006 22.767 1.00 0.00 H new ATOM 0 HG LEU A 2 92.857 -1.941 22.131 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.558 -1.456 20.058 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.561 -1.197 21.509 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.249 0.196 20.642 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.027 -1.047 20.134 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.726 0.613 20.699 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.787 -0.467 21.635 1.00 0.00 H new ATOM 42 N ASP A 3 94.027 1.942 25.088 1.00 0.00 N ATOM 43 CA ASP A 3 93.890 2.941 26.179 1.00 0.00 C ATOM 44 C ASP A 3 92.404 3.234 26.377 1.00 0.00 C ATOM 45 O ASP A 3 91.927 3.368 27.487 1.00 0.00 O ATOM 46 CB ASP A 3 94.620 4.228 25.782 1.00 0.00 C ATOM 47 CG ASP A 3 94.530 5.245 26.921 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.601 5.147 27.706 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.396 6.102 26.992 1.00 0.00 O ATOM 0 H ASP A 3 94.571 2.253 24.283 1.00 0.00 H new ATOM 0 HA ASP A 3 94.322 2.557 27.103 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.664 4.011 25.558 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.179 4.643 24.876 1.00 0.00 H new ATOM 54 N GLY A 4 91.668 3.326 25.302 1.00 0.00 N ATOM 55 CA GLY A 4 90.207 3.600 25.412 1.00 0.00 C ATOM 56 C GLY A 4 89.594 2.656 26.446 1.00 0.00 C ATOM 57 O GLY A 4 88.506 2.881 26.940 1.00 0.00 O ATOM 0 H GLY A 4 92.018 3.223 24.349 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.041 4.637 25.705 1.00 0.00 H new ATOM 0 HA3 GLY A 4 89.725 3.461 24.444 1.00 0.00 H new ATOM 61 N ILE A 5 90.292 1.609 26.790 1.00 0.00 N ATOM 62 CA ILE A 5 89.757 0.664 27.806 1.00 0.00 C ATOM 63 C ILE A 5 89.535 1.425 29.115 1.00 0.00 C ATOM 64 O ILE A 5 88.538 1.251 29.785 1.00 0.00 O ATOM 65 CB ILE A 5 90.756 -0.482 28.012 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.768 -1.376 26.770 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.352 -1.310 29.237 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.948 -2.347 26.851 1.00 0.00 C ATOM 0 H ILE A 5 91.208 1.369 26.411 1.00 0.00 H new ATOM 0 HA ILE A 5 88.810 0.242 27.471 1.00 0.00 H new ATOM 0 HB ILE A 5 91.751 -0.068 28.173 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.832 -1.930 26.699 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.847 -0.766 25.870 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.065 -2.122 29.378 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.348 -0.673 30.121 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.356 -1.724 29.084 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.957 -2.984 25.966 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.880 -1.784 26.902 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.849 -2.966 27.743 1.00 0.00 H new ATOM 80 N ASP A 6 90.451 2.282 29.471 1.00 0.00 N ATOM 81 CA ASP A 6 90.286 3.074 30.722 1.00 0.00 C ATOM 82 C ASP A 6 89.006 3.905 30.603 1.00 0.00 C ATOM 83 O ASP A 6 88.251 4.047 31.545 1.00 0.00 O ATOM 84 CB ASP A 6 91.493 3.997 30.904 1.00 0.00 C ATOM 85 CG ASP A 6 91.334 4.809 32.191 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.224 4.882 32.693 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.329 5.340 32.658 1.00 0.00 O ATOM 0 H ASP A 6 91.307 2.468 28.949 1.00 0.00 H new ATOM 0 HA ASP A 6 90.218 2.411 31.584 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.410 3.409 30.945 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.582 4.667 30.049 1.00 0.00 H new ATOM 92 N LYS A 7 88.760 4.448 29.441 1.00 0.00 N ATOM 93 CA LYS A 7 87.531 5.268 29.237 1.00 0.00 C ATOM 94 C LYS A 7 86.308 4.364 29.387 1.00 0.00 C ATOM 95 O LYS A 7 85.297 4.752 29.937 1.00 0.00 O ATOM 96 CB LYS A 7 87.529 5.862 27.823 1.00 0.00 C ATOM 97 CG LYS A 7 88.720 6.804 27.640 1.00 0.00 C ATOM 98 CD LYS A 7 88.691 7.382 26.222 1.00 0.00 C ATOM 99 CE LYS A 7 89.877 8.327 26.026 1.00 0.00 C ATOM 100 NZ LYS A 7 91.150 7.570 26.191 1.00 0.00 N ATOM 0 H LYS A 7 89.360 4.358 28.621 1.00 0.00 H new ATOM 0 HA LYS A 7 87.507 6.074 29.971 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.574 5.061 27.085 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.599 6.403 27.650 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.679 7.608 28.374 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.653 6.267 27.808 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.731 6.576 25.489 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.756 7.917 26.056 1.00 0.00 H new ATOM 0 HE2 LYS A 7 89.836 8.778 25.035 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.830 9.141 26.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.930 8.102 25.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.346 7.437 27.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.064 6.642 25.730 1.00 0.00 H new ATOM 114 N ALA A 8 86.398 3.161 28.891 1.00 0.00 N ATOM 115 CA ALA A 8 85.248 2.221 28.987 1.00 0.00 C ATOM 116 C ALA A 8 84.897 1.989 30.457 1.00 0.00 C ATOM 117 O ALA A 8 83.742 1.875 30.814 1.00 0.00 O ATOM 118 CB ALA A 8 85.620 0.890 28.333 1.00 0.00 C ATOM 0 H ALA A 8 87.223 2.788 28.421 1.00 0.00 H new ATOM 0 HA ALA A 8 84.387 2.649 28.473 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.778 0.202 28.404 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.866 1.056 27.284 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.482 0.462 28.844 1.00 0.00 H new ATOM 124 N GLN A 9 85.878 1.925 31.319 1.00 0.00 N ATOM 125 CA GLN A 9 85.572 1.706 32.761 1.00 0.00 C ATOM 126 C GLN A 9 84.692 2.853 33.267 1.00 0.00 C ATOM 127 O GLN A 9 83.745 2.645 33.998 1.00 0.00 O ATOM 128 CB GLN A 9 86.877 1.680 33.568 1.00 0.00 C ATOM 129 CG GLN A 9 87.670 0.410 33.249 1.00 0.00 C ATOM 130 CD GLN A 9 89.000 0.442 34.006 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.627 1.478 34.107 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.460 -0.653 34.549 1.00 0.00 N ATOM 0 H GLN A 9 86.868 2.014 31.089 1.00 0.00 H new ATOM 0 HA GLN A 9 85.052 0.756 32.881 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.476 2.560 33.333 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.655 1.721 34.634 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.097 -0.472 33.535 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.850 0.340 32.176 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.935 -1.523 34.465 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.344 -0.638 35.057 1.00 0.00 H new ATOM 141 N GLU A 10 84.995 4.060 32.877 1.00 0.00 N ATOM 142 CA GLU A 10 84.177 5.225 33.326 1.00 0.00 C ATOM 143 C GLU A 10 82.733 5.074 32.830 1.00 0.00 C ATOM 144 O GLU A 10 81.791 5.397 33.526 1.00 0.00 O ATOM 145 CB GLU A 10 84.787 6.517 32.770 1.00 0.00 C ATOM 146 CG GLU A 10 83.959 7.725 33.226 1.00 0.00 C ATOM 147 CD GLU A 10 84.604 9.011 32.708 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.713 8.935 32.208 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.979 10.052 32.826 1.00 0.00 O ATOM 0 H GLU A 10 85.777 4.292 32.264 1.00 0.00 H new ATOM 0 HA GLU A 10 84.172 5.265 34.415 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.816 6.620 33.113 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.817 6.476 31.681 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.938 7.642 32.852 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.899 7.748 34.314 1.00 0.00 H new ATOM 156 N GLU A 11 82.555 4.610 31.621 1.00 0.00 N ATOM 157 CA GLU A 11 81.175 4.462 31.058 1.00 0.00 C ATOM 158 C GLU A 11 80.651 3.038 31.278 1.00 0.00 C ATOM 159 O GLU A 11 79.572 2.697 30.836 1.00 0.00 O ATOM 160 CB GLU A 11 81.218 4.748 29.557 1.00 0.00 C ATOM 161 CG GLU A 11 81.477 6.237 29.324 1.00 0.00 C ATOM 162 CD GLU A 11 81.589 6.505 27.823 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.649 5.545 27.072 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.616 7.667 27.447 1.00 0.00 O ATOM 0 H GLU A 11 83.308 4.325 30.995 1.00 0.00 H new ATOM 0 HA GLU A 11 80.511 5.164 31.563 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.002 4.155 29.086 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.275 4.456 29.094 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.667 6.829 29.751 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.394 6.541 29.828 1.00 0.00 H new ATOM 171 N CYS A 12 81.392 2.201 31.951 1.00 0.00 N ATOM 172 CA CYS A 12 80.908 0.807 32.177 1.00 0.00 C ATOM 173 C CYS A 12 79.474 0.847 32.710 1.00 0.00 C ATOM 174 O CYS A 12 78.625 0.077 32.304 1.00 0.00 O ATOM 175 CB CYS A 12 81.809 0.106 33.196 1.00 0.00 C ATOM 176 SG CYS A 12 81.215 -1.584 33.466 1.00 0.00 S ATOM 0 H CYS A 12 82.304 2.418 32.352 1.00 0.00 H new ATOM 0 HA CYS A 12 80.934 0.259 31.235 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.838 0.088 32.836 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.810 0.657 34.136 1.00 0.00 H new ATOM 0 HG CYS A 12 82.092 -2.247 34.160 1.00 0.00 H new ATOM 181 N GLU A 13 79.198 1.743 33.616 1.00 0.00 N ATOM 182 CA GLU A 13 77.824 1.847 34.181 1.00 0.00 C ATOM 183 C GLU A 13 76.821 2.154 33.064 1.00 0.00 C ATOM 184 O GLU A 13 75.711 1.659 33.057 1.00 0.00 O ATOM 185 CB GLU A 13 77.787 2.970 35.220 1.00 0.00 C ATOM 186 CG GLU A 13 78.584 2.546 36.456 1.00 0.00 C ATOM 187 CD GLU A 13 78.547 3.669 37.494 1.00 0.00 C ATOM 188 OE1 GLU A 13 78.103 4.752 37.151 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.971 3.429 38.613 1.00 0.00 O ATOM 0 H GLU A 13 79.870 2.412 33.992 1.00 0.00 H new ATOM 0 HA GLU A 13 77.557 0.901 34.651 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.207 3.884 34.799 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.756 3.191 35.497 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.164 1.632 36.877 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.615 2.325 36.179 1.00 0.00 H new ATOM 196 N LYS A 14 77.200 2.983 32.134 1.00 0.00 N ATOM 197 CA LYS A 14 76.273 3.352 31.025 1.00 0.00 C ATOM 198 C LYS A 14 75.867 2.108 30.226 1.00 0.00 C ATOM 199 O LYS A 14 74.730 1.973 29.819 1.00 0.00 O ATOM 200 CB LYS A 14 76.967 4.355 30.103 1.00 0.00 C ATOM 201 CG LYS A 14 75.960 4.897 29.088 1.00 0.00 C ATOM 202 CD LYS A 14 76.648 5.923 28.188 1.00 0.00 C ATOM 203 CE LYS A 14 75.615 6.565 27.263 1.00 0.00 C ATOM 204 NZ LYS A 14 76.240 7.710 26.544 1.00 0.00 N ATOM 0 H LYS A 14 78.118 3.425 32.092 1.00 0.00 H new ATOM 0 HA LYS A 14 75.373 3.799 31.448 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.386 5.174 30.688 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.798 3.875 29.586 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.558 4.081 28.487 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.118 5.357 29.605 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.133 6.688 28.795 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.429 5.441 27.600 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.245 5.831 26.548 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.757 6.909 27.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.539 8.149 25.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.573 8.413 27.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.045 7.369 25.981 1.00 0.00 H new ATOM 218 N TYR A 15 76.780 1.205 29.982 1.00 0.00 N ATOM 219 CA TYR A 15 76.426 -0.015 29.194 1.00 0.00 C ATOM 220 C TYR A 15 75.837 -1.081 30.123 1.00 0.00 C ATOM 221 O TYR A 15 75.232 -2.035 29.677 1.00 0.00 O ATOM 222 CB TYR A 15 77.680 -0.573 28.518 1.00 0.00 C ATOM 223 CG TYR A 15 78.162 0.392 27.462 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.597 0.368 26.181 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.174 1.310 27.764 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.046 1.262 25.202 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.624 2.203 26.784 1.00 0.00 C ATOM 228 CZ TYR A 15 79.059 2.180 25.503 1.00 0.00 C ATOM 229 OH TYR A 15 79.503 3.060 24.537 1.00 0.00 O ATOM 0 H TYR A 15 77.750 1.257 30.292 1.00 0.00 H new ATOM 0 HA TYR A 15 75.690 0.253 28.436 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.462 -0.736 29.259 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.461 -1.541 28.067 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.815 -0.340 25.948 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.608 1.330 28.753 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.611 1.244 24.214 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.407 2.910 27.016 1.00 0.00 H new ATOM 0 HH TYR A 15 79.831 2.557 23.762 1.00 0.00 H new ATOM 239 N HIS A 16 76.003 -0.920 31.408 1.00 0.00 N ATOM 240 CA HIS A 16 75.445 -1.913 32.374 1.00 0.00 C ATOM 241 C HIS A 16 76.029 -3.307 32.110 1.00 0.00 C ATOM 242 O HIS A 16 77.222 -3.472 31.946 1.00 0.00 O ATOM 243 CB HIS A 16 73.920 -1.958 32.241 1.00 0.00 C ATOM 244 CG HIS A 16 73.381 -0.554 32.229 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.372 0.245 33.366 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.831 0.211 31.229 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.834 1.431 33.025 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.488 1.460 31.736 1.00 0.00 N ATOM 0 H HIS A 16 76.504 -0.140 31.833 1.00 0.00 H new ATOM 0 HA HIS A 16 75.715 -1.608 33.385 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.638 -2.476 31.324 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.487 -2.519 33.070 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.687 -0.108 30.207 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.699 2.256 33.709 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.061 2.236 31.229 1.00 0.00 H new ATOM 257 N SER A 17 75.194 -4.314 32.089 1.00 0.00 N ATOM 258 CA SER A 17 75.691 -5.705 31.862 1.00 0.00 C ATOM 259 C SER A 17 75.835 -5.990 30.366 1.00 0.00 C ATOM 260 O SER A 17 76.241 -7.064 29.970 1.00 0.00 O ATOM 261 CB SER A 17 74.701 -6.702 32.464 1.00 0.00 C ATOM 262 OG SER A 17 74.630 -6.506 33.869 1.00 0.00 O ATOM 0 H SER A 17 74.186 -4.233 32.220 1.00 0.00 H new ATOM 0 HA SER A 17 76.666 -5.807 32.338 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.716 -6.568 32.017 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.016 -7.722 32.243 1.00 0.00 H new ATOM 0 HG SER A 17 73.994 -7.143 34.256 1.00 0.00 H new ATOM 268 N ASN A 18 75.503 -5.049 29.526 1.00 0.00 N ATOM 269 CA ASN A 18 75.623 -5.295 28.060 1.00 0.00 C ATOM 270 C ASN A 18 77.078 -5.114 27.619 1.00 0.00 C ATOM 271 O ASN A 18 77.441 -4.109 27.040 1.00 0.00 O ATOM 272 CB ASN A 18 74.730 -4.312 27.302 1.00 0.00 C ATOM 273 CG ASN A 18 73.263 -4.678 27.533 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.956 -5.787 27.923 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.336 -3.793 27.290 1.00 0.00 N ATOM 0 H ASN A 18 75.156 -4.126 29.788 1.00 0.00 H new ATOM 0 HA ASN A 18 75.308 -6.315 27.840 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.920 -3.294 27.642 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.960 -4.341 26.237 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.354 -4.032 27.427 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.593 -2.862 26.963 1.00 0.00 H new ATOM 282 N TRP A 19 77.911 -6.086 27.884 1.00 0.00 N ATOM 283 CA TRP A 19 79.338 -5.978 27.472 1.00 0.00 C ATOM 284 C TRP A 19 79.437 -6.075 25.949 1.00 0.00 C ATOM 285 O TRP A 19 80.353 -5.556 25.342 1.00 0.00 O ATOM 286 CB TRP A 19 80.154 -7.110 28.109 1.00 0.00 C ATOM 287 CG TRP A 19 79.664 -8.437 27.621 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.715 -9.187 28.229 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.081 -9.187 26.439 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.525 -10.348 27.499 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.342 -10.393 26.388 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.018 -8.940 25.418 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.526 -11.321 25.360 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.204 -9.871 24.382 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.459 -11.058 24.353 1.00 0.00 C ATOM 0 H TRP A 19 77.663 -6.949 28.368 1.00 0.00 H new ATOM 0 HA TRP A 19 79.735 -5.019 27.806 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.209 -6.991 27.863 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.072 -7.061 29.195 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.191 -8.923 29.136 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.862 -11.081 27.752 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.598 -8.029 25.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.951 -12.235 25.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.925 -9.671 23.603 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.606 -11.769 23.553 1.00 0.00 H new ATOM 306 N ARG A 20 78.509 -6.750 25.327 1.00 0.00 N ATOM 307 CA ARG A 20 78.558 -6.894 23.845 1.00 0.00 C ATOM 308 C ARG A 20 78.506 -5.513 23.189 1.00 0.00 C ATOM 309 O ARG A 20 79.207 -5.243 22.234 1.00 0.00 O ATOM 310 CB ARG A 20 77.364 -7.725 23.373 1.00 0.00 C ATOM 311 CG ARG A 20 77.551 -9.174 23.819 1.00 0.00 C ATOM 312 CD ARG A 20 76.370 -10.019 23.341 1.00 0.00 C ATOM 313 NE ARG A 20 76.557 -11.431 23.782 1.00 0.00 N ATOM 314 CZ ARG A 20 75.548 -12.257 23.769 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.368 -11.838 23.406 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.717 -13.501 24.128 1.00 0.00 N ATOM 0 H ARG A 20 77.719 -7.208 25.782 1.00 0.00 H new ATOM 0 HA ARG A 20 79.485 -7.393 23.563 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.439 -7.322 23.786 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.277 -7.675 22.288 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.482 -9.571 23.414 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.629 -9.223 24.905 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.438 -9.622 23.744 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.293 -9.973 22.255 1.00 0.00 H new ATOM 0 HE ARG A 20 77.474 -11.751 24.094 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.234 -10.865 23.132 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.578 -12.484 23.396 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.639 -13.827 24.419 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.927 -14.147 24.118 1.00 0.00 H new ATOM 330 N ALA A 21 77.687 -4.635 23.694 1.00 0.00 N ATOM 331 CA ALA A 21 77.603 -3.274 23.094 1.00 0.00 C ATOM 332 C ALA A 21 78.919 -2.537 23.342 1.00 0.00 C ATOM 333 O ALA A 21 79.451 -1.882 22.467 1.00 0.00 O ATOM 334 CB ALA A 21 76.448 -2.501 23.737 1.00 0.00 C ATOM 0 H ALA A 21 77.074 -4.799 24.493 1.00 0.00 H new ATOM 0 HA ALA A 21 77.425 -3.354 22.022 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.387 -1.505 23.297 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.513 -3.033 23.562 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.621 -2.414 24.810 1.00 0.00 H new ATOM 340 N MET A 22 79.454 -2.645 24.528 1.00 0.00 N ATOM 341 CA MET A 22 80.742 -1.960 24.836 1.00 0.00 C ATOM 342 C MET A 22 81.848 -2.524 23.938 1.00 0.00 C ATOM 343 O MET A 22 82.651 -1.794 23.397 1.00 0.00 O ATOM 344 CB MET A 22 81.094 -2.189 26.308 1.00 0.00 C ATOM 345 CG MET A 22 82.410 -1.487 26.638 1.00 0.00 C ATOM 346 SD MET A 22 82.633 -1.433 28.434 1.00 0.00 S ATOM 347 CE MET A 22 82.583 -3.217 28.733 1.00 0.00 C ATOM 0 H MET A 22 79.053 -3.180 25.299 1.00 0.00 H new ATOM 0 HA MET A 22 80.646 -0.890 24.651 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.297 -1.807 26.946 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.180 -3.257 26.510 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.243 -2.015 26.173 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.407 -0.476 26.231 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.092 -3.443 29.670 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.546 -3.547 28.795 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.081 -3.737 27.915 1.00 0.00 H new ATOM 357 N ALA A 23 81.889 -3.817 23.764 1.00 0.00 N ATOM 358 CA ALA A 23 82.941 -4.419 22.893 1.00 0.00 C ATOM 359 C ALA A 23 82.815 -3.846 21.481 1.00 0.00 C ATOM 360 O ALA A 23 83.794 -3.565 20.820 1.00 0.00 O ATOM 361 CB ALA A 23 82.751 -5.936 22.840 1.00 0.00 C ATOM 0 H ALA A 23 81.241 -4.482 24.186 1.00 0.00 H new ATOM 0 HA ALA A 23 83.926 -4.188 23.298 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.519 -6.377 22.204 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.832 -6.348 23.846 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.767 -6.165 22.432 1.00 0.00 H new ATOM 367 N SER A 24 81.609 -3.680 21.014 1.00 0.00 N ATOM 368 CA SER A 24 81.397 -3.135 19.643 1.00 0.00 C ATOM 369 C SER A 24 81.896 -1.689 19.572 1.00 0.00 C ATOM 370 O SER A 24 82.448 -1.263 18.578 1.00 0.00 O ATOM 371 CB SER A 24 79.906 -3.176 19.310 1.00 0.00 C ATOM 372 OG SER A 24 79.691 -2.589 18.034 1.00 0.00 O ATOM 0 H SER A 24 80.755 -3.900 21.527 1.00 0.00 H new ATOM 0 HA SER A 24 81.952 -3.739 18.925 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.550 -4.206 19.313 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.338 -2.640 20.070 1.00 0.00 H new ATOM 0 HG SER A 24 78.735 -2.616 17.818 1.00 0.00 H new ATOM 378 N ASP A 25 81.694 -0.928 20.610 1.00 0.00 N ATOM 379 CA ASP A 25 82.145 0.493 20.588 1.00 0.00 C ATOM 380 C ASP A 25 83.671 0.571 20.629 1.00 0.00 C ATOM 381 O ASP A 25 84.274 1.382 19.955 1.00 0.00 O ATOM 382 CB ASP A 25 81.573 1.223 21.803 1.00 0.00 C ATOM 383 CG ASP A 25 80.064 1.402 21.632 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.619 1.466 20.497 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.379 1.480 22.639 1.00 0.00 O ATOM 0 H ASP A 25 81.237 -1.226 21.472 1.00 0.00 H new ATOM 0 HA ASP A 25 81.791 0.960 19.669 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.781 0.657 22.711 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.054 2.195 21.916 1.00 0.00 H new ATOM 390 N PHE A 26 84.304 -0.263 21.409 1.00 0.00 N ATOM 391 CA PHE A 26 85.798 -0.230 21.486 1.00 0.00 C ATOM 392 C PHE A 26 86.380 -1.270 20.524 1.00 0.00 C ATOM 393 O PHE A 26 87.580 -1.416 20.403 1.00 0.00 O ATOM 394 CB PHE A 26 86.249 -0.528 22.917 1.00 0.00 C ATOM 395 CG PHE A 26 85.887 0.640 23.808 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.774 1.717 23.941 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.663 0.655 24.496 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.441 2.803 24.758 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.334 1.743 25.314 1.00 0.00 C ATOM 400 CZ PHE A 26 85.222 2.817 25.444 1.00 0.00 C ATOM 0 H PHE A 26 83.855 -0.966 21.996 1.00 0.00 H new ATOM 0 HA PHE A 26 86.156 0.760 21.203 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.771 -1.438 23.279 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.325 -0.701 22.943 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.716 1.709 23.412 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.976 -0.172 24.394 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.126 3.632 24.859 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.394 1.753 25.845 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.966 3.656 26.074 1.00 0.00 H new ATOM 410 N ASN A 27 85.535 -1.982 19.828 1.00 0.00 N ATOM 411 CA ASN A 27 86.032 -2.999 18.857 1.00 0.00 C ATOM 412 C ASN A 27 87.038 -3.930 19.540 1.00 0.00 C ATOM 413 O ASN A 27 88.109 -4.183 19.022 1.00 0.00 O ATOM 414 CB ASN A 27 86.711 -2.285 17.685 1.00 0.00 C ATOM 415 CG ASN A 27 85.747 -1.256 17.086 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.473 -1.530 17.026 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 86.158 -0.190 16.674 1.00 0.00 N flip ATOM 0 H ASN A 27 84.520 -1.903 19.890 1.00 0.00 H new ATOM 0 HA ASN A 27 85.192 -3.591 18.494 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.622 -1.791 18.024 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.005 -3.009 16.925 1.00 0.00 H new ATOM 0 HD21 ASN A 27 87.154 0.025 16.721 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.507 0.490 16.281 1.00 0.00 H new ATOM 424 N LEU A 28 86.699 -4.445 20.698 1.00 0.00 N ATOM 425 CA LEU A 28 87.625 -5.372 21.433 1.00 0.00 C ATOM 426 C LEU A 28 86.970 -6.756 21.545 1.00 0.00 C ATOM 427 O LEU A 28 85.760 -6.866 21.552 1.00 0.00 O ATOM 428 CB LEU A 28 87.856 -4.831 22.848 1.00 0.00 C ATOM 429 CG LEU A 28 88.817 -3.629 22.819 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.648 -2.805 24.101 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.278 -4.109 22.726 1.00 0.00 C ATOM 0 H LEU A 28 85.814 -4.263 21.171 1.00 0.00 H new ATOM 0 HA LEU A 28 88.571 -5.445 20.896 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.905 -4.532 23.289 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.268 -5.617 23.481 1.00 0.00 H new ATOM 0 HG LEU A 28 88.582 -3.019 21.946 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.329 -1.954 24.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.621 -2.446 24.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.874 -3.428 24.966 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.944 -3.246 22.707 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.513 -4.729 23.591 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.412 -4.692 21.815 1.00 0.00 H new ATOM 443 N PRO A 29 87.752 -7.808 21.654 1.00 0.00 N ATOM 444 CA PRO A 29 87.206 -9.189 21.793 1.00 0.00 C ATOM 445 C PRO A 29 86.677 -9.447 23.219 1.00 0.00 C ATOM 446 O PRO A 29 87.174 -8.884 24.174 1.00 0.00 O ATOM 447 CB PRO A 29 88.416 -10.079 21.493 1.00 0.00 C ATOM 448 CG PRO A 29 89.588 -9.274 21.949 1.00 0.00 C ATOM 449 CD PRO A 29 89.230 -7.813 21.654 1.00 0.00 C ATOM 0 HA PRO A 29 86.360 -9.374 21.132 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.354 -11.028 22.026 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.484 -10.314 20.431 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.776 -9.424 23.012 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.495 -9.569 21.421 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.633 -7.141 22.412 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.632 -7.488 20.694 1.00 0.00 H new ATOM 457 N PRO A 30 85.682 -10.290 23.369 1.00 0.00 N ATOM 458 CA PRO A 30 85.101 -10.610 24.701 1.00 0.00 C ATOM 459 C PRO A 30 86.160 -10.705 25.812 1.00 0.00 C ATOM 460 O PRO A 30 85.853 -10.573 26.981 1.00 0.00 O ATOM 461 CB PRO A 30 84.434 -11.972 24.476 1.00 0.00 C ATOM 462 CG PRO A 30 84.036 -11.982 23.029 1.00 0.00 C ATOM 463 CD PRO A 30 84.996 -11.030 22.291 1.00 0.00 C ATOM 0 HA PRO A 30 84.418 -9.831 25.040 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.120 -12.788 24.701 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.566 -12.097 25.124 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.101 -12.990 22.618 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.003 -11.655 22.911 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.706 -11.581 21.674 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.454 -10.355 21.628 1.00 0.00 H new ATOM 471 N VAL A 31 87.398 -10.951 25.469 1.00 0.00 N ATOM 472 CA VAL A 31 88.443 -11.070 26.532 1.00 0.00 C ATOM 473 C VAL A 31 88.538 -9.767 27.334 1.00 0.00 C ATOM 474 O VAL A 31 88.474 -9.771 28.547 1.00 0.00 O ATOM 475 CB VAL A 31 89.807 -11.366 25.889 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.924 -11.242 26.940 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.803 -12.789 25.324 1.00 0.00 C ATOM 0 H VAL A 31 87.729 -11.073 24.512 1.00 0.00 H new ATOM 0 HA VAL A 31 88.166 -11.884 27.202 1.00 0.00 H new ATOM 0 HB VAL A 31 89.987 -10.649 25.088 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.887 -11.454 26.475 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.932 -10.230 27.345 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.746 -11.954 27.746 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.769 -13.002 24.867 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.618 -13.500 26.129 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.019 -12.880 24.573 1.00 0.00 H new ATOM 487 N VAL A 32 88.698 -8.657 26.672 1.00 0.00 N ATOM 488 CA VAL A 32 88.809 -7.365 27.407 1.00 0.00 C ATOM 489 C VAL A 32 87.434 -6.927 27.909 1.00 0.00 C ATOM 490 O VAL A 32 87.300 -6.418 29.001 1.00 0.00 O ATOM 491 CB VAL A 32 89.377 -6.287 26.487 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.440 -4.949 27.238 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.780 -6.694 26.032 1.00 0.00 C ATOM 0 H VAL A 32 88.757 -8.587 25.656 1.00 0.00 H new ATOM 0 HA VAL A 32 89.477 -7.505 28.257 1.00 0.00 H new ATOM 0 HB VAL A 32 88.733 -6.176 25.614 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.846 -4.181 26.580 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.437 -4.662 27.555 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.082 -5.053 28.113 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.187 -5.925 25.375 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.426 -6.807 26.902 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.728 -7.641 25.494 1.00 0.00 H new ATOM 503 N ALA A 33 86.414 -7.106 27.119 1.00 0.00 N ATOM 504 CA ALA A 33 85.062 -6.674 27.562 1.00 0.00 C ATOM 505 C ALA A 33 84.700 -7.415 28.847 1.00 0.00 C ATOM 506 O ALA A 33 84.291 -6.821 29.824 1.00 0.00 O ATOM 507 CB ALA A 33 84.042 -7.005 26.469 1.00 0.00 C ATOM 0 H ALA A 33 86.457 -7.530 26.192 1.00 0.00 H new ATOM 0 HA ALA A 33 85.055 -5.600 27.746 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.049 -6.690 26.790 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.310 -6.482 25.551 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.040 -8.080 26.287 1.00 0.00 H new ATOM 513 N LYS A 34 84.861 -8.704 28.857 1.00 0.00 N ATOM 514 CA LYS A 34 84.546 -9.483 30.083 1.00 0.00 C ATOM 515 C LYS A 34 85.437 -9.000 31.234 1.00 0.00 C ATOM 516 O LYS A 34 85.009 -8.892 32.365 1.00 0.00 O ATOM 517 CB LYS A 34 84.816 -10.967 29.817 1.00 0.00 C ATOM 518 CG LYS A 34 83.825 -11.511 28.773 1.00 0.00 C ATOM 519 CD LYS A 34 82.471 -11.828 29.424 1.00 0.00 C ATOM 520 CE LYS A 34 81.591 -12.580 28.422 1.00 0.00 C ATOM 521 NZ LYS A 34 82.298 -13.806 27.955 1.00 0.00 N ATOM 0 H LYS A 34 85.198 -9.255 28.067 1.00 0.00 H new ATOM 0 HA LYS A 34 83.499 -9.343 30.351 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.838 -11.100 29.462 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.725 -11.532 30.744 1.00 0.00 H new ATOM 0 HG2 LYS A 34 83.689 -10.779 27.977 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.232 -12.411 28.312 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.618 -12.431 30.320 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.980 -10.906 29.736 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.643 -12.850 28.887 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.358 -11.937 27.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.609 -14.572 27.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.781 -13.607 27.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.998 -14.095 28.667 1.00 0.00 H new ATOM 535 N GLU A 35 86.681 -8.725 30.946 1.00 0.00 N ATOM 536 CA GLU A 35 87.627 -8.266 32.010 1.00 0.00 C ATOM 537 C GLU A 35 87.156 -6.941 32.617 1.00 0.00 C ATOM 538 O GLU A 35 87.231 -6.740 33.813 1.00 0.00 O ATOM 539 CB GLU A 35 89.014 -8.066 31.395 1.00 0.00 C ATOM 540 CG GLU A 35 90.044 -7.778 32.498 1.00 0.00 C ATOM 541 CD GLU A 35 89.967 -6.306 32.927 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.489 -5.499 32.147 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.391 -6.013 34.034 1.00 0.00 O ATOM 0 H GLU A 35 87.087 -8.799 30.013 1.00 0.00 H new ATOM 0 HA GLU A 35 87.664 -9.021 32.795 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.305 -8.957 30.838 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.990 -7.240 30.685 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.859 -8.424 33.356 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.047 -8.007 32.137 1.00 0.00 H new ATOM 550 N ILE A 36 86.675 -6.034 31.813 1.00 0.00 N ATOM 551 CA ILE A 36 86.209 -4.735 32.371 1.00 0.00 C ATOM 552 C ILE A 36 85.064 -5.016 33.342 1.00 0.00 C ATOM 553 O ILE A 36 84.977 -4.440 34.407 1.00 0.00 O ATOM 554 CB ILE A 36 85.737 -3.836 31.227 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.932 -3.485 30.337 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.144 -2.547 31.792 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.434 -2.854 29.037 1.00 0.00 C ATOM 0 H ILE A 36 86.585 -6.135 30.802 1.00 0.00 H new ATOM 0 HA ILE A 36 87.016 -4.227 32.899 1.00 0.00 H new ATOM 0 HB ILE A 36 84.979 -4.361 30.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.596 -2.795 30.857 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.512 -4.382 30.119 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.810 -1.911 30.973 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.297 -2.787 32.434 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.902 -2.022 32.373 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.286 -2.604 28.404 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.788 -3.559 28.514 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.873 -1.948 29.264 1.00 0.00 H new ATOM 569 N VAL A 37 84.204 -5.931 32.991 1.00 0.00 N ATOM 570 CA VAL A 37 83.081 -6.295 33.898 1.00 0.00 C ATOM 571 C VAL A 37 83.673 -6.988 35.127 1.00 0.00 C ATOM 572 O VAL A 37 83.247 -6.781 36.245 1.00 0.00 O ATOM 573 CB VAL A 37 82.141 -7.255 33.161 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.119 -7.840 34.138 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.413 -6.499 32.048 1.00 0.00 C ATOM 0 H VAL A 37 84.231 -6.445 32.110 1.00 0.00 H new ATOM 0 HA VAL A 37 82.522 -5.410 34.202 1.00 0.00 H new ATOM 0 HB VAL A 37 82.725 -8.068 32.729 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.455 -8.521 33.606 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.639 -8.383 34.927 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.533 -7.033 34.579 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.744 -7.180 31.523 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.834 -5.683 32.481 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.142 -6.094 31.346 1.00 0.00 H new ATOM 585 N ALA A 38 84.657 -7.816 34.908 1.00 0.00 N ATOM 586 CA ALA A 38 85.308 -8.551 36.030 1.00 0.00 C ATOM 587 C ALA A 38 85.924 -7.567 37.032 1.00 0.00 C ATOM 588 O ALA A 38 86.187 -7.914 38.167 1.00 0.00 O ATOM 589 CB ALA A 38 86.409 -9.450 35.464 1.00 0.00 C ATOM 0 H ALA A 38 85.043 -8.017 33.986 1.00 0.00 H new ATOM 0 HA ALA A 38 84.557 -9.151 36.544 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.891 -9.992 36.278 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.973 -10.161 34.763 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.149 -8.838 34.948 1.00 0.00 H new ATOM 595 N SER A 39 86.176 -6.348 36.626 1.00 0.00 N ATOM 596 CA SER A 39 86.793 -5.361 37.567 1.00 0.00 C ATOM 597 C SER A 39 85.695 -4.534 38.234 1.00 0.00 C ATOM 598 O SER A 39 85.767 -4.226 39.407 1.00 0.00 O ATOM 599 CB SER A 39 87.726 -4.434 36.786 1.00 0.00 C ATOM 600 OG SER A 39 88.804 -5.193 36.254 1.00 0.00 O ATOM 0 H SER A 39 85.983 -5.994 35.689 1.00 0.00 H new ATOM 0 HA SER A 39 87.360 -5.892 38.332 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.179 -3.943 35.981 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.106 -3.648 37.438 1.00 0.00 H new ATOM 0 HG SER A 39 88.864 -5.043 35.287 1.00 0.00 H new ATOM 606 N CYS A 40 84.673 -4.186 37.507 1.00 0.00 N ATOM 607 CA CYS A 40 83.570 -3.395 38.119 1.00 0.00 C ATOM 608 C CYS A 40 82.976 -4.206 39.271 1.00 0.00 C ATOM 609 O CYS A 40 82.674 -5.373 39.124 1.00 0.00 O ATOM 610 CB CYS A 40 82.496 -3.119 37.068 1.00 0.00 C ATOM 611 SG CYS A 40 81.330 -1.890 37.704 1.00 0.00 S ATOM 0 H CYS A 40 84.553 -4.413 36.520 1.00 0.00 H new ATOM 0 HA CYS A 40 83.949 -2.443 38.492 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.956 -2.757 36.149 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.970 -4.041 36.820 1.00 0.00 H new ATOM 0 HG CYS A 40 80.418 -1.654 36.809 1.00 0.00 H new ATOM 616 N ASP A 41 82.822 -3.610 40.420 1.00 0.00 N ATOM 617 CA ASP A 41 82.267 -4.365 41.579 1.00 0.00 C ATOM 618 C ASP A 41 80.746 -4.493 41.466 1.00 0.00 C ATOM 619 O ASP A 41 80.164 -5.455 41.926 1.00 0.00 O ATOM 620 CB ASP A 41 82.626 -3.636 42.875 1.00 0.00 C ATOM 621 CG ASP A 41 84.130 -3.760 43.130 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.731 -4.666 42.577 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.655 -2.949 43.875 1.00 0.00 O ATOM 0 H ASP A 41 83.056 -2.635 40.607 1.00 0.00 H new ATOM 0 HA ASP A 41 82.697 -5.366 41.584 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.344 -2.586 42.804 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.068 -4.060 43.710 1.00 0.00 H new ATOM 628 N LYS A 42 80.088 -3.531 40.877 1.00 0.00 N ATOM 629 CA LYS A 42 78.602 -3.617 40.768 1.00 0.00 C ATOM 630 C LYS A 42 78.213 -4.706 39.765 1.00 0.00 C ATOM 631 O LYS A 42 77.274 -5.449 39.975 1.00 0.00 O ATOM 632 CB LYS A 42 78.048 -2.277 40.280 1.00 0.00 C ATOM 633 CG LYS A 42 78.207 -1.219 41.374 1.00 0.00 C ATOM 634 CD LYS A 42 77.793 0.155 40.828 1.00 0.00 C ATOM 635 CE LYS A 42 76.276 0.203 40.607 1.00 0.00 C ATOM 636 NZ LYS A 42 75.834 1.624 40.513 1.00 0.00 N ATOM 0 H LYS A 42 80.510 -2.696 40.470 1.00 0.00 H new ATOM 0 HA LYS A 42 78.190 -3.858 41.748 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.574 -1.963 39.379 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.996 -2.383 40.015 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.593 -1.479 42.236 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.241 -1.189 41.717 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.091 0.937 41.527 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.311 0.352 39.889 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.013 -0.332 39.695 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.762 -0.296 41.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.805 1.658 40.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.072 2.121 41.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.316 2.085 39.715 1.00 0.00 H new ATOM 650 N CYS A 43 78.924 -4.809 38.674 1.00 0.00 N ATOM 651 CA CYS A 43 78.593 -5.848 37.654 1.00 0.00 C ATOM 652 C CYS A 43 79.288 -7.165 38.011 1.00 0.00 C ATOM 653 O CYS A 43 79.253 -8.118 37.258 1.00 0.00 O ATOM 654 CB CYS A 43 79.046 -5.381 36.271 1.00 0.00 C ATOM 655 SG CYS A 43 78.276 -3.786 35.893 1.00 0.00 S ATOM 0 H CYS A 43 79.722 -4.217 38.444 1.00 0.00 H new ATOM 0 HA CYS A 43 77.514 -6.005 37.641 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.132 -5.289 36.244 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.770 -6.118 35.517 1.00 0.00 H new ATOM 0 HG CYS A 43 78.662 -3.386 34.718 1.00 0.00 H new ATOM 660 N GLN A 44 79.924 -7.226 39.149 1.00 0.00 N ATOM 661 CA GLN A 44 80.624 -8.481 39.544 1.00 0.00 C ATOM 662 C GLN A 44 79.601 -9.493 40.062 1.00 0.00 C ATOM 663 O GLN A 44 79.329 -10.494 39.430 1.00 0.00 O ATOM 664 CB GLN A 44 81.647 -8.174 40.641 1.00 0.00 C ATOM 665 CG GLN A 44 82.541 -9.397 40.867 1.00 0.00 C ATOM 666 CD GLN A 44 83.432 -9.619 39.643 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.526 -10.720 39.138 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.092 -8.613 39.140 1.00 0.00 N ATOM 0 H GLN A 44 79.989 -6.462 39.822 1.00 0.00 H new ATOM 0 HA GLN A 44 81.139 -8.898 38.679 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.254 -7.315 40.356 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.135 -7.909 41.566 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.156 -9.250 41.755 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.927 -10.280 41.047 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.013 -7.688 39.564 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.687 -8.751 38.323 1.00 0.00 H new ATOM 677 N LEU A 45 79.033 -9.241 41.208 1.00 0.00 N ATOM 678 CA LEU A 45 78.027 -10.190 41.771 1.00 0.00 C ATOM 679 C LEU A 45 76.652 -9.887 41.169 1.00 0.00 C ATOM 680 O LEU A 45 76.122 -8.805 41.322 1.00 0.00 O ATOM 681 CB LEU A 45 77.958 -10.003 43.286 1.00 0.00 C ATOM 682 CG LEU A 45 79.361 -10.131 43.887 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.278 -9.921 45.401 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.936 -11.527 43.588 1.00 0.00 C ATOM 0 H LEU A 45 79.221 -8.418 41.781 1.00 0.00 H new ATOM 0 HA LEU A 45 78.316 -11.214 41.534 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.539 -9.025 43.523 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.295 -10.749 43.724 1.00 0.00 H new ATOM 0 HG LEU A 45 80.015 -9.379 43.446 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.273 -10.011 45.836 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.879 -8.928 45.609 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.622 -10.674 45.837 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.934 -11.609 44.019 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.289 -12.288 44.024 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.993 -11.674 42.509 1.00 0.00 H new ATOM 839 N PHE B 1 96.088 -12.041 23.642 1.00 0.00 N ATOM 840 CA PHE B 1 95.124 -12.977 22.995 1.00 0.00 C ATOM 841 C PHE B 1 95.886 -14.180 22.445 1.00 0.00 C ATOM 842 O PHE B 1 95.883 -14.446 21.259 1.00 0.00 O ATOM 843 CB PHE B 1 94.418 -12.259 21.852 1.00 0.00 C ATOM 844 CG PHE B 1 94.027 -10.866 22.294 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.942 -10.683 23.160 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.752 -9.757 21.837 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.583 -9.391 23.567 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.392 -8.466 22.246 1.00 0.00 C ATOM 849 CZ PHE B 1 93.307 -8.284 23.109 1.00 0.00 C ATOM 0 H1 PHE B 1 95.919 -11.075 23.297 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.958 -12.068 24.674 1.00 0.00 H new ATOM 0 H3 PHE B 1 97.060 -12.327 23.408 1.00 0.00 H new ATOM 0 HA PHE B 1 94.388 -13.313 23.725 1.00 0.00 H new ATOM 0 HB2 PHE B 1 95.073 -12.205 20.983 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.532 -12.818 21.550 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.383 -11.536 23.514 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.589 -9.898 21.169 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.746 -9.249 24.235 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.952 -7.612 21.895 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.027 -7.289 23.422 1.00 0.00 H new ATOM 861 N LEU B 2 96.547 -14.898 23.303 1.00 0.00 N ATOM 862 CA LEU B 2 97.332 -16.088 22.855 1.00 0.00 C ATOM 863 C LEU B 2 96.502 -17.360 22.969 1.00 0.00 C ATOM 864 O LEU B 2 95.695 -17.518 23.857 1.00 0.00 O ATOM 865 CB LEU B 2 98.596 -16.231 23.710 1.00 0.00 C ATOM 866 CG LEU B 2 99.502 -15.003 23.535 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.691 -15.123 24.494 1.00 0.00 C ATOM 868 CD2 LEU B 2 100.020 -14.921 22.086 1.00 0.00 C ATOM 0 H LEU B 2 96.581 -14.714 24.306 1.00 0.00 H new ATOM 0 HA LEU B 2 97.607 -15.940 21.811 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.322 -16.343 24.759 1.00 0.00 H new ATOM 0 HB3 LEU B 2 99.136 -17.133 23.424 1.00 0.00 H new ATOM 0 HG LEU B 2 98.931 -14.101 23.754 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.341 -14.256 24.378 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.327 -15.169 25.520 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.252 -16.030 24.267 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.661 -14.046 21.978 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.591 -15.820 21.852 1.00 0.00 H new ATOM 0 HD23 LEU B 2 99.175 -14.840 21.402 1.00 0.00 H new ATOM 880 N ASP B 3 96.712 -18.274 22.067 1.00 0.00 N ATOM 881 CA ASP B 3 95.958 -19.555 22.108 1.00 0.00 C ATOM 882 C ASP B 3 96.261 -20.248 23.435 1.00 0.00 C ATOM 883 O ASP B 3 95.392 -20.820 24.064 1.00 0.00 O ATOM 884 CB ASP B 3 96.407 -20.445 20.947 1.00 0.00 C ATOM 885 CG ASP B 3 95.598 -21.744 20.949 1.00 0.00 C ATOM 886 OD1 ASP B 3 95.108 -22.113 22.002 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.477 -22.343 19.893 1.00 0.00 O ATOM 0 H ASP B 3 97.377 -18.189 21.299 1.00 0.00 H new ATOM 0 HA ASP B 3 94.888 -19.369 22.020 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.270 -19.921 20.001 1.00 0.00 H new ATOM 0 HB3 ASP B 3 97.470 -20.667 21.037 1.00 0.00 H new ATOM 892 N GLY B 4 97.492 -20.195 23.866 1.00 0.00 N ATOM 893 CA GLY B 4 97.864 -20.839 25.157 1.00 0.00 C ATOM 894 C GLY B 4 96.862 -20.424 26.234 1.00 0.00 C ATOM 895 O GLY B 4 96.762 -21.041 27.276 1.00 0.00 O ATOM 0 H GLY B 4 98.258 -19.732 23.378 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.870 -21.923 25.048 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.872 -20.543 25.448 1.00 0.00 H new ATOM 899 N ILE B 5 96.106 -19.387 25.984 1.00 0.00 N ATOM 900 CA ILE B 5 95.099 -18.946 26.985 1.00 0.00 C ATOM 901 C ILE B 5 94.112 -20.091 27.225 1.00 0.00 C ATOM 902 O ILE B 5 93.732 -20.374 28.344 1.00 0.00 O ATOM 903 CB ILE B 5 94.366 -17.703 26.460 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.323 -16.508 26.470 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.156 -17.399 27.349 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.693 -15.346 25.696 1.00 0.00 C ATOM 0 H ILE B 5 96.145 -18.829 25.131 1.00 0.00 H new ATOM 0 HA ILE B 5 95.586 -18.688 27.925 1.00 0.00 H new ATOM 0 HB ILE B 5 94.023 -17.889 25.442 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.533 -16.205 27.496 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.275 -16.787 26.018 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.640 -16.516 26.972 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.474 -18.250 27.339 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.491 -17.215 28.370 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.373 -14.494 25.702 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.505 -15.653 24.667 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.752 -15.063 26.167 1.00 0.00 H new ATOM 918 N ASP B 6 93.712 -20.763 26.182 1.00 0.00 N ATOM 919 CA ASP B 6 92.772 -21.905 26.344 1.00 0.00 C ATOM 920 C ASP B 6 93.432 -22.951 27.247 1.00 0.00 C ATOM 921 O ASP B 6 92.798 -23.549 28.095 1.00 0.00 O ATOM 922 CB ASP B 6 92.463 -22.516 24.975 1.00 0.00 C ATOM 923 CG ASP B 6 91.488 -23.686 25.136 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.352 -24.174 26.245 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.889 -24.070 24.145 1.00 0.00 O ATOM 0 H ASP B 6 93.997 -20.569 25.222 1.00 0.00 H new ATOM 0 HA ASP B 6 91.839 -21.564 26.792 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.033 -21.760 24.318 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.384 -22.860 24.504 1.00 0.00 H new ATOM 930 N LYS B 7 94.708 -23.168 27.067 1.00 0.00 N ATOM 931 CA LYS B 7 95.428 -24.165 27.909 1.00 0.00 C ATOM 932 C LYS B 7 95.432 -23.673 29.356 1.00 0.00 C ATOM 933 O LYS B 7 95.292 -24.441 30.287 1.00 0.00 O ATOM 934 CB LYS B 7 96.880 -24.295 27.433 1.00 0.00 C ATOM 935 CG LYS B 7 96.921 -24.819 25.997 1.00 0.00 C ATOM 936 CD LYS B 7 98.381 -24.939 25.548 1.00 0.00 C ATOM 937 CE LYS B 7 98.440 -25.461 24.112 1.00 0.00 C ATOM 938 NZ LYS B 7 97.754 -24.502 23.203 1.00 0.00 N ATOM 0 H LYS B 7 95.284 -22.695 26.370 1.00 0.00 H new ATOM 0 HA LYS B 7 94.930 -25.132 27.833 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.376 -23.326 27.488 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.427 -24.971 28.090 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.428 -25.789 25.937 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.378 -24.144 25.335 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.872 -23.968 25.612 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.921 -25.614 26.212 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.477 -25.591 23.804 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.964 -26.440 24.050 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.085 -24.650 22.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.726 -24.657 23.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.970 -23.529 23.498 1.00 0.00 H new ATOM 952 N ALA B 8 95.601 -22.395 29.545 1.00 0.00 N ATOM 953 CA ALA B 8 95.626 -21.838 30.926 1.00 0.00 C ATOM 954 C ALA B 8 94.302 -22.145 31.627 1.00 0.00 C ATOM 955 O ALA B 8 94.271 -22.429 32.808 1.00 0.00 O ATOM 956 CB ALA B 8 95.833 -20.323 30.860 1.00 0.00 C ATOM 0 H ALA B 8 95.723 -21.709 28.800 1.00 0.00 H new ATOM 0 HA ALA B 8 96.443 -22.292 31.486 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.851 -19.914 31.870 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.779 -20.106 30.363 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.016 -19.868 30.299 1.00 0.00 H new ATOM 962 N GLN B 9 93.205 -22.101 30.917 1.00 0.00 N ATOM 963 CA GLN B 9 91.898 -22.400 31.568 1.00 0.00 C ATOM 964 C GLN B 9 91.934 -23.825 32.129 1.00 0.00 C ATOM 965 O GLN B 9 91.472 -24.084 33.222 1.00 0.00 O ATOM 966 CB GLN B 9 90.770 -22.297 30.536 1.00 0.00 C ATOM 967 CG GLN B 9 90.558 -20.837 30.131 1.00 0.00 C ATOM 968 CD GLN B 9 89.483 -20.766 29.043 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.445 -21.598 28.157 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.603 -19.803 29.070 1.00 0.00 N ATOM 0 H GLN B 9 93.158 -21.873 29.924 1.00 0.00 H new ATOM 0 HA GLN B 9 91.721 -21.685 32.371 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.015 -22.894 29.658 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.848 -22.705 30.952 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.256 -20.248 30.997 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.491 -20.410 29.765 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.634 -19.105 29.813 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.884 -19.749 28.348 1.00 0.00 H new ATOM 979 N GLU B 10 92.484 -24.747 31.389 1.00 0.00 N ATOM 980 CA GLU B 10 92.557 -26.155 31.876 1.00 0.00 C ATOM 981 C GLU B 10 93.394 -26.223 33.158 1.00 0.00 C ATOM 982 O GLU B 10 93.083 -26.956 34.075 1.00 0.00 O ATOM 983 CB GLU B 10 93.192 -27.035 30.793 1.00 0.00 C ATOM 984 CG GLU B 10 93.271 -28.487 31.280 1.00 0.00 C ATOM 985 CD GLU B 10 93.857 -29.365 30.174 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.991 -28.877 29.065 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.156 -30.514 30.456 1.00 0.00 O ATOM 0 H GLU B 10 92.887 -24.587 30.466 1.00 0.00 H new ATOM 0 HA GLU B 10 91.551 -26.514 32.093 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.604 -26.981 29.877 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.190 -26.668 30.553 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.891 -28.548 32.174 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.278 -28.844 31.555 1.00 0.00 H new ATOM 994 N GLU B 11 94.468 -25.481 33.218 1.00 0.00 N ATOM 995 CA GLU B 11 95.349 -25.516 34.429 1.00 0.00 C ATOM 996 C GLU B 11 94.974 -24.398 35.406 1.00 0.00 C ATOM 997 O GLU B 11 95.614 -24.217 36.423 1.00 0.00 O ATOM 998 CB GLU B 11 96.803 -25.326 33.990 1.00 0.00 C ATOM 999 CG GLU B 11 97.281 -26.569 33.236 1.00 0.00 C ATOM 1000 CD GLU B 11 98.710 -26.345 32.739 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.177 -25.221 32.827 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.314 -27.300 32.277 1.00 0.00 O ATOM 0 H GLU B 11 94.777 -24.849 32.479 1.00 0.00 H new ATOM 0 HA GLU B 11 95.221 -26.476 34.929 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.888 -24.447 33.352 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.436 -25.151 34.860 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.244 -27.441 33.890 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.620 -26.774 32.394 1.00 0.00 H new ATOM 1009 N CYS B 12 93.950 -23.641 35.118 1.00 0.00 N ATOM 1010 CA CYS B 12 93.563 -22.541 36.050 1.00 0.00 C ATOM 1011 C CYS B 12 93.483 -23.088 37.479 1.00 0.00 C ATOM 1012 O CYS B 12 93.931 -22.464 38.420 1.00 0.00 O ATOM 1013 CB CYS B 12 92.201 -21.976 35.644 1.00 0.00 C ATOM 1014 SG CYS B 12 91.740 -20.643 36.780 1.00 0.00 S ATOM 0 H CYS B 12 93.368 -23.734 34.285 1.00 0.00 H new ATOM 0 HA CYS B 12 94.310 -21.749 36.003 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.241 -21.600 34.622 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.447 -22.763 35.665 1.00 0.00 H new ATOM 0 HG CYS B 12 90.696 -20.021 36.318 1.00 0.00 H new ATOM 1019 N GLU B 13 92.916 -24.251 37.643 1.00 0.00 N ATOM 1020 CA GLU B 13 92.803 -24.852 39.003 1.00 0.00 C ATOM 1021 C GLU B 13 94.199 -25.048 39.604 1.00 0.00 C ATOM 1022 O GLU B 13 94.411 -24.863 40.786 1.00 0.00 O ATOM 1023 CB GLU B 13 92.098 -26.206 38.900 1.00 0.00 C ATOM 1024 CG GLU B 13 90.625 -25.987 38.549 1.00 0.00 C ATOM 1025 CD GLU B 13 89.917 -27.338 38.445 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.602 -28.347 38.465 1.00 0.00 O ATOM 1027 OE2 GLU B 13 88.701 -27.341 38.349 1.00 0.00 O ATOM 0 H GLU B 13 92.523 -24.815 36.889 1.00 0.00 H new ATOM 0 HA GLU B 13 92.228 -24.185 39.645 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.577 -26.821 38.138 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.182 -26.745 39.844 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.147 -25.372 39.311 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.542 -25.448 37.605 1.00 0.00 H new ATOM 1034 N LYS B 14 95.145 -25.446 38.801 1.00 0.00 N ATOM 1035 CA LYS B 14 96.524 -25.683 39.315 1.00 0.00 C ATOM 1036 C LYS B 14 97.106 -24.397 39.914 1.00 0.00 C ATOM 1037 O LYS B 14 97.777 -24.430 40.927 1.00 0.00 O ATOM 1038 CB LYS B 14 97.414 -26.167 38.168 1.00 0.00 C ATOM 1039 CG LYS B 14 98.765 -26.614 38.723 1.00 0.00 C ATOM 1040 CD LYS B 14 99.640 -27.124 37.578 1.00 0.00 C ATOM 1041 CE LYS B 14 100.938 -27.696 38.144 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.687 -28.385 37.056 1.00 0.00 N ATOM 0 H LYS B 14 95.022 -25.619 37.803 1.00 0.00 H new ATOM 0 HA LYS B 14 96.484 -26.441 40.098 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.933 -26.993 37.644 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.555 -25.367 37.441 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.256 -25.782 39.228 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.624 -27.400 39.465 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.108 -27.890 37.013 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.860 -26.312 36.885 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.545 -26.898 38.570 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.719 -28.396 38.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.572 -28.776 37.438 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.106 -29.156 36.669 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.907 -27.704 36.301 1.00 0.00 H new ATOM 1056 N TYR B 15 96.873 -23.267 39.300 1.00 0.00 N ATOM 1057 CA TYR B 15 97.434 -21.994 39.848 1.00 0.00 C ATOM 1058 C TYR B 15 96.496 -21.431 40.919 1.00 0.00 C ATOM 1059 O TYR B 15 96.868 -20.567 41.686 1.00 0.00 O ATOM 1060 CB TYR B 15 97.584 -20.972 38.719 1.00 0.00 C ATOM 1061 CG TYR B 15 98.648 -21.434 37.751 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.997 -21.173 38.018 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.285 -22.121 36.588 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.983 -21.599 37.121 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.271 -22.546 35.689 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.619 -22.285 35.956 1.00 0.00 C ATOM 1067 OH TYR B 15 101.591 -22.703 35.068 1.00 0.00 O ATOM 0 H TYR B 15 96.322 -23.169 38.447 1.00 0.00 H new ATOM 0 HA TYR B 15 98.409 -22.196 40.291 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.634 -20.849 38.199 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.851 -19.998 39.130 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.277 -20.643 38.916 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.244 -22.324 36.383 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.024 -21.399 37.327 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.991 -23.075 34.790 1.00 0.00 H new ATOM 0 HH TYR B 15 102.416 -22.199 35.225 1.00 0.00 H new ATOM 1077 N HIS B 16 95.286 -21.919 40.981 1.00 0.00 N ATOM 1078 CA HIS B 16 94.321 -21.426 42.009 1.00 0.00 C ATOM 1079 C HIS B 16 94.092 -19.917 41.849 1.00 0.00 C ATOM 1080 O HIS B 16 93.872 -19.425 40.761 1.00 0.00 O ATOM 1081 CB HIS B 16 94.866 -21.721 43.411 1.00 0.00 C ATOM 1082 CG HIS B 16 95.344 -23.146 43.469 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.467 -24.222 43.461 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.605 -23.689 43.534 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.205 -25.348 43.519 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.510 -25.076 43.563 1.00 0.00 N ATOM 0 H HIS B 16 94.922 -22.642 40.361 1.00 0.00 H new ATOM 0 HA HIS B 16 93.370 -21.940 41.873 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.685 -21.041 43.646 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.090 -21.555 44.158 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.526 -23.126 43.559 1.00 0.00 H new ATOM 0 HE1 HIS B 16 94.792 -26.346 43.529 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.278 -25.746 43.608 1.00 0.00 H new ATOM 1095 N SER B 17 94.121 -19.186 42.933 1.00 0.00 N ATOM 1096 CA SER B 17 93.881 -17.712 42.860 1.00 0.00 C ATOM 1097 C SER B 17 95.172 -16.972 42.503 1.00 0.00 C ATOM 1098 O SER B 17 95.185 -15.764 42.376 1.00 0.00 O ATOM 1099 CB SER B 17 93.377 -17.213 44.215 1.00 0.00 C ATOM 1100 OG SER B 17 92.135 -17.836 44.511 1.00 0.00 O ATOM 0 H SER B 17 94.301 -19.547 43.870 1.00 0.00 H new ATOM 0 HA SER B 17 93.138 -17.518 42.087 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.106 -17.440 44.993 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.258 -16.130 44.196 1.00 0.00 H new ATOM 0 HG SER B 17 91.809 -17.520 45.380 1.00 0.00 H new ATOM 1106 N ASN B 18 96.260 -17.673 42.344 1.00 0.00 N ATOM 1107 CA ASN B 18 97.537 -16.983 42.005 1.00 0.00 C ATOM 1108 C ASN B 18 97.578 -16.665 40.509 1.00 0.00 C ATOM 1109 O ASN B 18 98.239 -17.330 39.737 1.00 0.00 O ATOM 1110 CB ASN B 18 98.718 -17.885 42.369 1.00 0.00 C ATOM 1111 CG ASN B 18 98.836 -17.975 43.889 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.311 -17.142 44.601 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.525 -18.947 44.422 1.00 0.00 N ATOM 0 H ASN B 18 96.321 -18.687 42.433 1.00 0.00 H new ATOM 0 HA ASN B 18 97.601 -16.053 42.569 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.575 -18.879 41.945 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.639 -17.486 41.944 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.622 -19.007 45.436 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.966 -19.647 43.825 1.00 0.00 H new ATOM 1120 N TRP B 19 96.878 -15.641 40.095 1.00 0.00 N ATOM 1121 CA TRP B 19 96.880 -15.270 38.653 1.00 0.00 C ATOM 1122 C TRP B 19 98.250 -14.704 38.276 1.00 0.00 C ATOM 1123 O TRP B 19 98.674 -14.781 37.139 1.00 0.00 O ATOM 1124 CB TRP B 19 95.801 -14.213 38.384 1.00 0.00 C ATOM 1125 CG TRP B 19 96.099 -12.963 39.152 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.634 -12.683 40.391 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.914 -11.818 38.754 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.106 -11.441 40.777 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.902 -10.870 39.805 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.657 -11.515 37.597 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.600 -9.665 39.711 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.361 -10.302 37.501 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.332 -9.379 38.556 1.00 0.00 C ATOM 0 H TRP B 19 96.306 -15.047 40.695 1.00 0.00 H new ATOM 0 HA TRP B 19 96.671 -16.157 38.055 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.756 -13.991 37.318 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.823 -14.600 38.670 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.998 -13.325 40.983 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.892 -11.001 41.672 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.686 -12.219 36.778 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.574 -8.958 40.527 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.928 -10.080 36.609 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.875 -8.449 38.476 1.00 0.00 H new ATOM 1144 N ARG B 20 98.941 -14.124 39.218 1.00 0.00 N ATOM 1145 CA ARG B 20 100.277 -13.540 38.911 1.00 0.00 C ATOM 1146 C ARG B 20 101.212 -14.632 38.393 1.00 0.00 C ATOM 1147 O ARG B 20 101.966 -14.426 37.463 1.00 0.00 O ATOM 1148 CB ARG B 20 100.869 -12.927 40.181 1.00 0.00 C ATOM 1149 CG ARG B 20 100.075 -11.676 40.555 1.00 0.00 C ATOM 1150 CD ARG B 20 100.669 -11.044 41.814 1.00 0.00 C ATOM 1151 NE ARG B 20 99.889 -9.824 42.172 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.002 -9.305 43.363 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.770 -9.873 44.250 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.340 -8.223 43.669 1.00 0.00 N ATOM 0 H ARG B 20 98.638 -14.029 40.187 1.00 0.00 H new ATOM 0 HA ARG B 20 100.165 -12.769 38.149 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.837 -13.649 40.997 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.917 -12.673 40.022 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.097 -10.961 39.733 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.030 -11.935 40.725 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.647 -11.758 42.638 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.714 -10.784 41.645 1.00 0.00 H new ATOM 0 HE ARG B 20 99.268 -9.396 41.486 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.282 -10.723 44.012 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.859 -9.468 45.182 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.734 -7.783 42.977 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.429 -7.817 44.601 1.00 0.00 H new ATOM 1168 N ALA B 21 101.170 -15.795 38.983 1.00 0.00 N ATOM 1169 CA ALA B 21 102.060 -16.893 38.512 1.00 0.00 C ATOM 1170 C ALA B 21 101.620 -17.325 37.111 1.00 0.00 C ATOM 1171 O ALA B 21 102.431 -17.537 36.232 1.00 0.00 O ATOM 1172 CB ALA B 21 101.961 -18.079 39.475 1.00 0.00 C ATOM 0 H ALA B 21 100.561 -16.032 39.767 1.00 0.00 H new ATOM 0 HA ALA B 21 103.092 -16.545 38.479 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.612 -18.883 39.131 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.269 -17.765 40.472 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.931 -18.435 39.509 1.00 0.00 H new ATOM 1178 N MET B 22 100.338 -17.447 36.896 1.00 0.00 N ATOM 1179 CA MET B 22 99.839 -17.853 35.551 1.00 0.00 C ATOM 1180 C MET B 22 100.236 -16.794 34.517 1.00 0.00 C ATOM 1181 O MET B 22 100.675 -17.110 33.431 1.00 0.00 O ATOM 1182 CB MET B 22 98.314 -17.989 35.601 1.00 0.00 C ATOM 1183 CG MET B 22 97.791 -18.413 34.228 1.00 0.00 C ATOM 1184 SD MET B 22 96.066 -18.943 34.376 1.00 0.00 S ATOM 1185 CE MET B 22 95.403 -17.397 35.041 1.00 0.00 C ATOM 0 H MET B 22 99.614 -17.283 37.595 1.00 0.00 H new ATOM 0 HA MET B 22 100.278 -18.809 35.267 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.029 -18.725 36.353 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.864 -17.041 35.896 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.869 -17.583 33.525 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.399 -19.225 33.830 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.331 -17.349 34.850 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.582 -17.357 36.115 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.896 -16.553 34.559 1.00 0.00 H new ATOM 1195 N ALA B 23 100.097 -15.540 34.849 1.00 0.00 N ATOM 1196 CA ALA B 23 100.477 -14.468 33.881 1.00 0.00 C ATOM 1197 C ALA B 23 101.958 -14.610 33.526 1.00 0.00 C ATOM 1198 O ALA B 23 102.357 -14.431 32.393 1.00 0.00 O ATOM 1199 CB ALA B 23 100.238 -13.099 34.517 1.00 0.00 C ATOM 0 H ALA B 23 99.738 -15.210 35.745 1.00 0.00 H new ATOM 0 HA ALA B 23 99.873 -14.560 32.979 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.515 -12.316 33.811 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.184 -12.997 34.776 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.844 -13.006 35.418 1.00 0.00 H new ATOM 1205 N SER B 24 102.772 -14.923 34.494 1.00 0.00 N ATOM 1206 CA SER B 24 104.231 -15.071 34.235 1.00 0.00 C ATOM 1207 C SER B 24 104.480 -16.261 33.305 1.00 0.00 C ATOM 1208 O SER B 24 105.344 -16.222 32.450 1.00 0.00 O ATOM 1209 CB SER B 24 104.955 -15.301 35.561 1.00 0.00 C ATOM 1210 OG SER B 24 106.338 -15.517 35.312 1.00 0.00 O ATOM 0 H SER B 24 102.487 -15.084 35.460 1.00 0.00 H new ATOM 0 HA SER B 24 104.607 -14.165 33.760 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.822 -14.439 36.215 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.528 -16.161 36.077 1.00 0.00 H new ATOM 0 HG SER B 24 106.804 -15.663 36.161 1.00 0.00 H new ATOM 1216 N ASP B 25 103.743 -17.323 33.470 1.00 0.00 N ATOM 1217 CA ASP B 25 103.951 -18.519 32.603 1.00 0.00 C ATOM 1218 C ASP B 25 103.498 -18.228 31.173 1.00 0.00 C ATOM 1219 O ASP B 25 104.134 -18.633 30.220 1.00 0.00 O ATOM 1220 CB ASP B 25 103.142 -19.691 33.156 1.00 0.00 C ATOM 1221 CG ASP B 25 103.770 -20.175 34.463 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.969 -20.008 34.619 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.044 -20.710 35.284 1.00 0.00 O ATOM 0 H ASP B 25 103.005 -17.416 34.168 1.00 0.00 H new ATOM 0 HA ASP B 25 105.013 -18.766 32.595 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.110 -19.385 33.328 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.117 -20.504 32.430 1.00 0.00 H new ATOM 1228 N PHE B 26 102.406 -17.533 31.008 1.00 0.00 N ATOM 1229 CA PHE B 26 101.917 -17.220 29.630 1.00 0.00 C ATOM 1230 C PHE B 26 102.413 -15.833 29.215 1.00 0.00 C ATOM 1231 O PHE B 26 102.152 -15.368 28.124 1.00 0.00 O ATOM 1232 CB PHE B 26 100.388 -17.257 29.603 1.00 0.00 C ATOM 1233 CG PHE B 26 99.920 -18.689 29.758 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.787 -19.506 28.626 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.626 -19.206 31.029 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.362 -20.831 28.763 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.199 -20.533 31.164 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.068 -21.346 30.032 1.00 0.00 C ATOM 0 H PHE B 26 101.830 -17.167 31.766 1.00 0.00 H new ATOM 0 HA PHE B 26 102.302 -17.963 28.931 1.00 0.00 H new ATOM 0 HB2 PHE B 26 99.983 -16.641 30.406 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.019 -16.841 28.665 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.013 -19.111 27.647 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.729 -18.580 31.903 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.260 -21.458 27.890 1.00 0.00 H new ATOM 0 HE2 PHE B 26 98.971 -20.929 32.142 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.740 -22.370 30.137 1.00 0.00 H new ATOM 1248 N ASN B 27 103.144 -15.177 30.076 1.00 0.00 N ATOM 1249 CA ASN B 27 103.680 -13.829 29.733 1.00 0.00 C ATOM 1250 C ASN B 27 102.551 -12.924 29.233 1.00 0.00 C ATOM 1251 O ASN B 27 102.674 -12.276 28.212 1.00 0.00 O ATOM 1252 CB ASN B 27 104.739 -13.973 28.639 1.00 0.00 C ATOM 1253 CG ASN B 27 105.800 -14.981 29.085 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.158 -15.022 30.340 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.305 -15.744 28.286 1.00 0.00 N flip ATOM 0 H ASN B 27 103.393 -15.518 31.004 1.00 0.00 H new ATOM 0 HA ASN B 27 104.124 -13.383 30.623 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.275 -14.305 27.710 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.202 -13.007 28.437 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.026 -15.713 27.305 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.008 -16.415 28.596 1.00 0.00 H new ATOM 1262 N LEU B 28 101.452 -12.875 29.948 1.00 0.00 N ATOM 1263 CA LEU B 28 100.297 -12.009 29.532 1.00 0.00 C ATOM 1264 C LEU B 28 100.067 -10.926 30.596 1.00 0.00 C ATOM 1265 O LEU B 28 100.379 -11.123 31.754 1.00 0.00 O ATOM 1266 CB LEU B 28 99.033 -12.871 29.441 1.00 0.00 C ATOM 1267 CG LEU B 28 99.057 -13.737 28.169 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.092 -14.918 28.333 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.620 -12.906 26.946 1.00 0.00 C ATOM 0 H LEU B 28 101.302 -13.401 30.809 1.00 0.00 H new ATOM 0 HA LEU B 28 100.515 -11.550 28.568 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.958 -13.510 30.321 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.150 -12.232 29.435 1.00 0.00 H new ATOM 0 HG LEU B 28 100.073 -14.100 28.015 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.110 -15.530 27.431 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.397 -15.521 29.188 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.082 -14.542 28.496 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.642 -13.532 26.054 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.608 -12.533 27.102 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.301 -12.065 26.816 1.00 0.00 H new ATOM 1281 N PRO B 29 99.508 -9.796 30.221 1.00 0.00 N ATOM 1282 CA PRO B 29 99.225 -8.695 31.186 1.00 0.00 C ATOM 1283 C PRO B 29 97.988 -9.010 32.052 1.00 0.00 C ATOM 1284 O PRO B 29 97.085 -9.692 31.610 1.00 0.00 O ATOM 1285 CB PRO B 29 98.962 -7.489 30.278 1.00 0.00 C ATOM 1286 CG PRO B 29 98.384 -8.080 29.036 1.00 0.00 C ATOM 1287 CD PRO B 29 99.086 -9.431 28.851 1.00 0.00 C ATOM 0 HA PRO B 29 100.040 -8.533 31.891 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.271 -6.785 30.742 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.881 -6.942 30.068 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.306 -8.209 29.129 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.554 -7.430 28.178 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.414 -10.177 28.427 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.939 -9.350 28.177 1.00 0.00 H new ATOM 1295 N PRO B 30 97.941 -8.519 33.268 1.00 0.00 N ATOM 1296 CA PRO B 30 96.790 -8.760 34.183 1.00 0.00 C ATOM 1297 C PRO B 30 95.431 -8.741 33.461 1.00 0.00 C ATOM 1298 O PRO B 30 94.461 -9.288 33.947 1.00 0.00 O ATOM 1299 CB PRO B 30 96.885 -7.599 35.180 1.00 0.00 C ATOM 1300 CG PRO B 30 98.346 -7.260 35.254 1.00 0.00 C ATOM 1301 CD PRO B 30 98.974 -7.685 33.912 1.00 0.00 C ATOM 0 HA PRO B 30 96.842 -9.747 34.642 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.299 -6.743 34.845 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.498 -7.887 36.157 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.486 -6.193 35.425 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.822 -7.781 36.085 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.224 -6.819 33.299 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.897 -8.244 34.065 1.00 0.00 H new ATOM 1309 N VAL B 31 95.344 -8.109 32.322 1.00 0.00 N ATOM 1310 CA VAL B 31 94.030 -8.056 31.610 1.00 0.00 C ATOM 1311 C VAL B 31 93.549 -9.474 31.281 1.00 0.00 C ATOM 1312 O VAL B 31 92.436 -9.847 31.595 1.00 0.00 O ATOM 1313 CB VAL B 31 94.181 -7.259 30.304 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.913 -7.412 29.448 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.389 -5.777 30.634 1.00 0.00 C ATOM 0 H VAL B 31 96.115 -7.631 31.856 1.00 0.00 H new ATOM 0 HA VAL B 31 93.300 -7.570 32.257 1.00 0.00 H new ATOM 0 HB VAL B 31 95.039 -7.640 29.750 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.027 -6.845 28.524 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.759 -8.465 29.211 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.053 -7.035 30.001 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.496 -5.210 29.709 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.529 -5.404 31.191 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.290 -5.661 31.237 1.00 0.00 H new ATOM 1325 N VAL B 32 94.370 -10.262 30.647 1.00 0.00 N ATOM 1326 CA VAL B 32 93.943 -11.646 30.294 1.00 0.00 C ATOM 1327 C VAL B 32 93.963 -12.535 31.534 1.00 0.00 C ATOM 1328 O VAL B 32 93.097 -13.362 31.727 1.00 0.00 O ATOM 1329 CB VAL B 32 94.882 -12.228 29.240 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.463 -13.669 28.918 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.815 -11.374 27.970 1.00 0.00 C ATOM 0 H VAL B 32 95.315 -10.010 30.358 1.00 0.00 H new ATOM 0 HA VAL B 32 92.929 -11.607 29.896 1.00 0.00 H new ATOM 0 HB VAL B 32 95.903 -12.228 29.622 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.134 -14.083 28.166 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.515 -14.274 29.823 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.442 -13.674 28.536 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.485 -11.789 27.217 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.795 -11.372 27.586 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.117 -10.353 28.202 1.00 0.00 H new ATOM 1341 N ALA B 33 94.948 -12.387 32.374 1.00 0.00 N ATOM 1342 CA ALA B 33 95.016 -13.249 33.584 1.00 0.00 C ATOM 1343 C ALA B 33 93.756 -13.035 34.417 1.00 0.00 C ATOM 1344 O ALA B 33 93.093 -13.973 34.814 1.00 0.00 O ATOM 1345 CB ALA B 33 96.252 -12.870 34.407 1.00 0.00 C ATOM 0 H ALA B 33 95.705 -11.710 32.276 1.00 0.00 H new ATOM 0 HA ALA B 33 95.087 -14.297 33.292 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.305 -13.500 35.295 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.149 -13.015 33.805 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.182 -11.825 34.708 1.00 0.00 H new ATOM 1351 N LYS B 34 93.411 -11.810 34.671 1.00 0.00 N ATOM 1352 CA LYS B 34 92.183 -11.529 35.461 1.00 0.00 C ATOM 1353 C LYS B 34 90.966 -12.098 34.723 1.00 0.00 C ATOM 1354 O LYS B 34 90.054 -12.633 35.321 1.00 0.00 O ATOM 1355 CB LYS B 34 92.023 -10.014 35.617 1.00 0.00 C ATOM 1356 CG LYS B 34 93.155 -9.447 36.491 1.00 0.00 C ATOM 1357 CD LYS B 34 92.862 -9.680 37.981 1.00 0.00 C ATOM 1358 CE LYS B 34 93.878 -8.905 38.824 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.836 -7.462 38.454 1.00 0.00 N ATOM 0 H LYS B 34 93.928 -10.985 34.365 1.00 0.00 H new ATOM 0 HA LYS B 34 92.261 -11.992 36.445 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.037 -9.537 34.637 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.057 -9.788 36.068 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.100 -9.920 36.223 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.268 -8.380 36.300 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.850 -9.354 38.220 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.917 -10.744 38.212 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.654 -9.026 39.884 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.880 -9.303 38.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.990 -6.881 39.303 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.581 -7.261 37.757 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.908 -7.236 38.043 1.00 0.00 H new ATOM 1373 N GLU B 35 90.944 -11.963 33.424 1.00 0.00 N ATOM 1374 CA GLU B 35 89.786 -12.467 32.626 1.00 0.00 C ATOM 1375 C GLU B 35 89.648 -13.985 32.774 1.00 0.00 C ATOM 1376 O GLU B 35 88.555 -14.505 32.891 1.00 0.00 O ATOM 1377 CB GLU B 35 90.010 -12.129 31.152 1.00 0.00 C ATOM 1378 CG GLU B 35 88.757 -12.473 30.335 1.00 0.00 C ATOM 1379 CD GLU B 35 88.709 -13.977 30.035 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.754 -14.607 30.063 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.623 -14.472 29.782 1.00 0.00 O ATOM 0 H GLU B 35 91.683 -11.522 32.877 1.00 0.00 H new ATOM 0 HA GLU B 35 88.875 -11.993 32.991 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.244 -11.070 31.045 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.867 -12.684 30.770 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.864 -12.177 30.885 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.758 -11.910 29.402 1.00 0.00 H new ATOM 1388 N ILE B 36 90.737 -14.703 32.768 1.00 0.00 N ATOM 1389 CA ILE B 36 90.640 -16.183 32.909 1.00 0.00 C ATOM 1390 C ILE B 36 89.996 -16.494 34.260 1.00 0.00 C ATOM 1391 O ILE B 36 89.155 -17.364 34.379 1.00 0.00 O ATOM 1392 CB ILE B 36 92.043 -16.790 32.830 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.611 -16.558 31.428 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.973 -18.294 33.094 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.107 -16.877 31.422 1.00 0.00 C ATOM 0 H ILE B 36 91.683 -14.333 32.672 1.00 0.00 H new ATOM 0 HA ILE B 36 90.033 -16.609 32.110 1.00 0.00 H new ATOM 0 HB ILE B 36 92.682 -16.319 33.577 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.092 -17.187 30.705 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.448 -15.524 31.125 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.974 -18.721 33.036 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.560 -18.470 34.087 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.334 -18.765 32.347 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.510 -16.711 30.423 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.620 -16.229 32.133 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.258 -17.918 31.706 1.00 0.00 H new ATOM 1407 N VAL B 37 90.361 -15.757 35.271 1.00 0.00 N ATOM 1408 CA VAL B 37 89.755 -15.962 36.615 1.00 0.00 C ATOM 1409 C VAL B 37 88.286 -15.541 36.536 1.00 0.00 C ATOM 1410 O VAL B 37 87.410 -16.164 37.101 1.00 0.00 O ATOM 1411 CB VAL B 37 90.493 -15.086 37.632 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.740 -15.087 38.965 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.906 -15.635 37.839 1.00 0.00 C ATOM 0 H VAL B 37 91.059 -15.015 35.223 1.00 0.00 H new ATOM 0 HA VAL B 37 89.830 -17.005 36.923 1.00 0.00 H new ATOM 0 HB VAL B 37 90.548 -14.064 37.257 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.271 -14.462 39.683 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.734 -14.694 38.815 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.678 -16.106 39.347 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.435 -15.014 38.562 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.848 -16.658 38.212 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.443 -15.625 36.890 1.00 0.00 H new ATOM 1423 N ALA B 38 88.026 -14.471 35.834 1.00 0.00 N ATOM 1424 CA ALA B 38 86.631 -13.966 35.692 1.00 0.00 C ATOM 1425 C ALA B 38 85.741 -15.020 35.025 1.00 0.00 C ATOM 1426 O ALA B 38 84.532 -14.974 35.132 1.00 0.00 O ATOM 1427 CB ALA B 38 86.644 -12.700 34.833 1.00 0.00 C ATOM 0 H ALA B 38 88.731 -13.918 35.347 1.00 0.00 H new ATOM 0 HA ALA B 38 86.232 -13.747 36.682 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.627 -12.324 34.724 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.262 -11.941 35.313 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.052 -12.932 33.849 1.00 0.00 H new ATOM 1433 N SER B 39 86.319 -15.962 34.323 1.00 0.00 N ATOM 1434 CA SER B 39 85.488 -17.000 33.639 1.00 0.00 C ATOM 1435 C SER B 39 85.362 -18.231 34.536 1.00 0.00 C ATOM 1436 O SER B 39 84.318 -18.846 34.617 1.00 0.00 O ATOM 1437 CB SER B 39 86.160 -17.396 32.324 1.00 0.00 C ATOM 1438 OG SER B 39 86.179 -16.273 31.451 1.00 0.00 O ATOM 0 H SER B 39 87.326 -16.057 34.194 1.00 0.00 H new ATOM 0 HA SER B 39 84.495 -16.597 33.439 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.176 -17.743 32.511 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.621 -18.223 31.861 1.00 0.00 H new ATOM 0 HG SER B 39 87.095 -16.117 31.138 1.00 0.00 H new ATOM 1444 N CYS B 40 86.408 -18.588 35.224 1.00 0.00 N ATOM 1445 CA CYS B 40 86.327 -19.769 36.127 1.00 0.00 C ATOM 1446 C CYS B 40 85.241 -19.506 37.170 1.00 0.00 C ATOM 1447 O CYS B 40 85.203 -18.459 37.783 1.00 0.00 O ATOM 1448 CB CYS B 40 87.672 -19.978 36.820 1.00 0.00 C ATOM 1449 SG CYS B 40 87.682 -21.586 37.649 1.00 0.00 S ATOM 0 H CYS B 40 87.312 -18.116 35.201 1.00 0.00 H new ATOM 0 HA CYS B 40 86.084 -20.664 35.555 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.480 -19.928 36.090 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.847 -19.183 37.544 1.00 0.00 H new ATOM 0 HG CYS B 40 88.828 -21.764 38.237 1.00 0.00 H new ATOM 1454 N ASP B 41 84.346 -20.433 37.364 1.00 0.00 N ATOM 1455 CA ASP B 41 83.254 -20.216 38.355 1.00 0.00 C ATOM 1456 C ASP B 41 83.763 -20.439 39.783 1.00 0.00 C ATOM 1457 O ASP B 41 83.284 -19.830 40.718 1.00 0.00 O ATOM 1458 CB ASP B 41 82.108 -21.187 38.061 1.00 0.00 C ATOM 1459 CG ASP B 41 81.416 -20.778 36.758 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.556 -19.630 36.370 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.755 -21.620 36.173 1.00 0.00 O ATOM 0 H ASP B 41 84.322 -21.331 36.880 1.00 0.00 H new ATOM 0 HA ASP B 41 82.903 -19.188 38.272 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.491 -22.204 37.978 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.392 -21.182 38.883 1.00 0.00 H new ATOM 1466 N LYS B 42 84.713 -21.314 39.968 1.00 0.00 N ATOM 1467 CA LYS B 42 85.218 -21.566 41.350 1.00 0.00 C ATOM 1468 C LYS B 42 86.019 -20.358 41.844 1.00 0.00 C ATOM 1469 O LYS B 42 85.921 -19.963 42.989 1.00 0.00 O ATOM 1470 CB LYS B 42 86.131 -22.794 41.343 1.00 0.00 C ATOM 1471 CG LYS B 42 85.303 -24.056 41.092 1.00 0.00 C ATOM 1472 CD LYS B 42 86.237 -25.264 40.933 1.00 0.00 C ATOM 1473 CE LYS B 42 86.883 -25.614 42.281 1.00 0.00 C ATOM 1474 NZ LYS B 42 87.413 -27.006 42.226 1.00 0.00 N ATOM 0 H LYS B 42 85.158 -21.861 39.231 1.00 0.00 H new ATOM 0 HA LYS B 42 84.368 -21.735 42.011 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.892 -22.688 40.570 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.654 -22.875 42.296 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.615 -24.222 41.921 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.697 -23.932 40.195 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.676 -26.120 40.557 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.010 -25.041 40.198 1.00 0.00 H new ATOM 0 HE2 LYS B 42 87.689 -24.914 42.504 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.151 -25.523 43.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 87.852 -27.247 43.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.634 -27.667 42.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.124 -27.077 41.470 1.00 0.00 H new ATOM 1488 N CYS B 43 86.814 -19.768 40.991 1.00 0.00 N ATOM 1489 CA CYS B 43 87.626 -18.585 41.412 1.00 0.00 C ATOM 1490 C CYS B 43 86.801 -17.307 41.253 1.00 0.00 C ATOM 1491 O CYS B 43 87.298 -16.211 41.428 1.00 0.00 O ATOM 1492 CB CYS B 43 88.891 -18.497 40.559 1.00 0.00 C ATOM 1493 SG CYS B 43 89.818 -20.048 40.693 1.00 0.00 S ATOM 0 H CYS B 43 86.937 -20.053 40.020 1.00 0.00 H new ATOM 0 HA CYS B 43 87.908 -18.698 42.459 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.628 -18.306 39.518 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.508 -17.662 40.890 1.00 0.00 H new ATOM 0 HG CYS B 43 90.893 -19.975 39.966 1.00 0.00 H new ATOM 1498 N GLN B 44 85.547 -17.432 40.916 1.00 0.00 N ATOM 1499 CA GLN B 44 84.698 -16.219 40.741 1.00 0.00 C ATOM 1500 C GLN B 44 84.279 -15.688 42.113 1.00 0.00 C ATOM 1501 O GLN B 44 84.722 -14.643 42.547 1.00 0.00 O ATOM 1502 CB GLN B 44 83.452 -16.576 39.924 1.00 0.00 C ATOM 1503 CG GLN B 44 82.724 -15.294 39.505 1.00 0.00 C ATOM 1504 CD GLN B 44 83.567 -14.544 38.468 1.00 0.00 C ATOM 1505 OE1 GLN B 44 84.136 -15.148 37.579 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.674 -13.245 38.544 1.00 0.00 N ATOM 0 H GLN B 44 85.073 -18.321 40.754 1.00 0.00 H new ATOM 0 HA GLN B 44 85.266 -15.452 40.214 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.736 -17.149 39.042 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.787 -17.207 40.514 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.747 -15.538 39.088 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.550 -14.661 40.375 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.197 -12.737 39.289 1.00 0.00 H new ATOM 0 HE22 GLN B 44 84.234 -12.738 37.858 1.00 0.00 H new ATOM 1515 N LEU B 45 83.427 -16.399 42.799 1.00 0.00 N ATOM 1516 CA LEU B 45 82.976 -15.935 44.144 1.00 0.00 C ATOM 1517 C LEU B 45 83.996 -16.371 45.200 1.00 0.00 C ATOM 1518 O LEU B 45 84.247 -17.545 45.384 1.00 0.00 O ATOM 1519 CB LEU B 45 81.624 -16.574 44.463 1.00 0.00 C ATOM 1520 CG LEU B 45 80.637 -16.290 43.326 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.295 -16.951 43.652 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.441 -14.772 43.167 1.00 0.00 C ATOM 0 H LEU B 45 83.023 -17.282 42.487 1.00 0.00 H new ATOM 0 HA LEU B 45 82.886 -14.849 44.147 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.741 -17.650 44.595 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.236 -16.178 45.402 1.00 0.00 H new ATOM 0 HG LEU B 45 81.031 -16.694 42.394 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.587 -16.753 42.847 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.435 -18.027 43.756 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.906 -16.544 44.585 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.738 -14.579 42.357 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.048 -14.357 44.095 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.398 -14.304 42.936 1.00 0.00 H new