USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -0.658 X(o=-1,f=-1.3) USER MOD Set 1.2: B 44 GLN : amide:sc= -0.376 X(o=-1,f=-1.2) USER MOD Single : A 1 PHE N :NH3+ 128:sc= 1.04 (180deg=0.329) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc=-0.00183 (180deg=-0.255) USER MOD Single : A 15 TYR OH : rot 152:sc= 0.134 USER MOD Single : A 16 HIS : no HD1:sc= -2.92! X(o=-2.9!,f=-2.8) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0269 K(o=-0.027,f=-1.7!) USER MOD Single : A 22 MET CE :methyl -153:sc= -0.141 (180deg=-1.39) USER MOD Single : A 24 SER OG : rot 80:sc= 0.0192 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.0798 F(o=-1.2,f=-0.08) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.0885 (180deg=-0.839) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.4) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : B 1 PHE N :NH3+ 133:sc= 0.975 (180deg=0.321) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 14 LYS NZ :NH3+ -165:sc=-0.00572 (180deg=-0.271) USER MOD Single : B 15 TYR OH : rot 149:sc= 0.127 USER MOD Single : B 16 HIS : no HD1:sc= -3.01! X(o=-3!,f=-2.8) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.051 K(o=-0.051,f=-1.7!) USER MOD Single : B 22 MET CE :methyl -152:sc= -0.168 (180deg=-1.37) USER MOD Single : B 24 SER OG : rot 80:sc= 0.0183 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.0795 F(o=-1.3,f=-0.08) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -148:sc= -0.153 (180deg=-0.906) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.39) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.100 -4.454 24.523 1.00 0.00 N ATOM 2 CA PHE A 1 94.951 -3.691 25.478 1.00 0.00 C ATOM 3 C PHE A 1 95.035 -2.239 25.022 1.00 0.00 C ATOM 4 O PHE A 1 96.100 -1.714 24.767 1.00 0.00 O ATOM 5 CB PHE A 1 96.353 -4.291 25.493 1.00 0.00 C ATOM 6 CG PHE A 1 96.258 -5.800 25.473 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.816 -6.489 26.607 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.613 -6.511 24.318 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.730 -7.886 26.583 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.525 -7.909 24.300 1.00 0.00 C ATOM 11 CZ PHE A 1 96.084 -8.595 25.433 1.00 0.00 C ATOM 0 H1 PHE A 1 94.611 -5.302 24.204 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.218 -4.738 24.995 1.00 0.00 H new ATOM 0 H3 PHE A 1 93.876 -3.855 23.703 1.00 0.00 H new ATOM 0 HA PHE A 1 94.518 -3.741 26.477 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.919 -3.941 24.630 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.891 -3.962 26.382 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.542 -5.945 27.499 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.955 -5.981 23.441 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.388 -8.418 27.458 1.00 0.00 H new ATOM 0 HE2 PHE A 1 96.798 -8.456 23.410 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.017 -9.673 25.420 1.00 0.00 H new ATOM 23 N LEU A 2 93.913 -1.594 24.917 1.00 0.00 N ATOM 24 CA LEU A 2 93.884 -0.167 24.474 1.00 0.00 C ATOM 25 C LEU A 2 93.643 0.746 25.667 1.00 0.00 C ATOM 26 O LEU A 2 92.958 0.399 26.598 1.00 0.00 O ATOM 27 CB LEU A 2 92.766 0.026 23.443 1.00 0.00 C ATOM 28 CG LEU A 2 93.009 -0.876 22.225 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.857 -0.697 21.229 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.340 -0.504 21.544 1.00 0.00 C ATOM 0 H LEU A 2 92.998 -1.996 25.121 1.00 0.00 H new ATOM 0 HA LEU A 2 94.844 0.086 24.023 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.801 -0.210 23.893 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.726 1.069 23.130 1.00 0.00 H new ATOM 0 HG LEU A 2 93.059 -1.914 22.552 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.024 -1.335 20.361 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.917 -0.972 21.707 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.810 0.344 20.910 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.501 -1.151 20.682 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.303 0.535 21.216 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.159 -0.632 22.252 1.00 0.00 H new ATOM 42 N ASP A 3 94.200 1.921 25.635 1.00 0.00 N ATOM 43 CA ASP A 3 94.000 2.868 26.764 1.00 0.00 C ATOM 44 C ASP A 3 92.508 3.151 26.898 1.00 0.00 C ATOM 45 O ASP A 3 91.979 3.224 27.990 1.00 0.00 O ATOM 46 CB ASP A 3 94.757 4.168 26.487 1.00 0.00 C ATOM 47 CG ASP A 3 96.262 3.911 26.584 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.638 2.943 27.225 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.013 4.688 26.017 1.00 0.00 O ATOM 0 H ASP A 3 94.786 2.268 24.875 1.00 0.00 H new ATOM 0 HA ASP A 3 94.379 2.435 27.690 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.504 4.544 25.496 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.461 4.934 27.204 1.00 0.00 H new ATOM 54 N GLY A 4 91.820 3.296 25.796 1.00 0.00 N ATOM 55 CA GLY A 4 90.350 3.553 25.856 1.00 0.00 C ATOM 56 C GLY A 4 89.717 2.604 26.881 1.00 0.00 C ATOM 57 O GLY A 4 88.631 2.835 27.376 1.00 0.00 O ATOM 0 H GLY A 4 92.213 3.248 24.856 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.160 4.589 26.136 1.00 0.00 H new ATOM 0 HA3 GLY A 4 89.901 3.400 24.875 1.00 0.00 H new ATOM 61 N ILE A 5 90.409 1.545 27.211 1.00 0.00 N ATOM 62 CA ILE A 5 89.878 0.580 28.213 1.00 0.00 C ATOM 63 C ILE A 5 89.659 1.302 29.544 1.00 0.00 C ATOM 64 O ILE A 5 88.665 1.100 30.212 1.00 0.00 O ATOM 65 CB ILE A 5 90.880 -0.573 28.384 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.866 -1.443 27.122 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.508 -1.419 29.606 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.038 -2.427 27.158 1.00 0.00 C ATOM 0 H ILE A 5 91.323 1.308 26.826 1.00 0.00 H new ATOM 0 HA ILE A 5 88.926 0.173 27.874 1.00 0.00 H new ATOM 0 HB ILE A 5 91.879 -0.164 28.535 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.924 -1.987 27.055 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.935 -0.814 26.235 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.225 -2.233 29.717 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.526 -0.795 30.500 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.508 -1.832 29.472 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.024 -3.043 26.259 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.976 -1.874 27.204 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.950 -3.066 28.037 1.00 0.00 H new ATOM 80 N ASP A 6 90.569 2.153 29.931 1.00 0.00 N ATOM 81 CA ASP A 6 90.389 2.892 31.212 1.00 0.00 C ATOM 82 C ASP A 6 89.101 3.713 31.123 1.00 0.00 C ATOM 83 O ASP A 6 88.343 3.812 32.068 1.00 0.00 O ATOM 84 CB ASP A 6 91.577 3.827 31.446 1.00 0.00 C ATOM 85 CG ASP A 6 91.390 4.569 32.772 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.300 4.505 33.318 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.341 5.186 33.222 1.00 0.00 O ATOM 0 H ASP A 6 91.425 2.368 29.419 1.00 0.00 H new ATOM 0 HA ASP A 6 90.329 2.186 32.040 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.505 3.255 31.465 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.659 4.541 30.626 1.00 0.00 H new ATOM 92 N LYS A 7 88.853 4.302 29.985 1.00 0.00 N ATOM 93 CA LYS A 7 87.620 5.118 29.808 1.00 0.00 C ATOM 94 C LYS A 7 86.396 4.210 29.926 1.00 0.00 C ATOM 95 O LYS A 7 85.387 4.580 30.494 1.00 0.00 O ATOM 96 CB LYS A 7 87.640 5.778 28.427 1.00 0.00 C ATOM 97 CG LYS A 7 86.382 6.630 28.252 1.00 0.00 C ATOM 98 CD LYS A 7 86.510 7.492 26.989 1.00 0.00 C ATOM 99 CE LYS A 7 86.456 6.608 25.741 1.00 0.00 C ATOM 100 NZ LYS A 7 86.175 7.456 24.548 1.00 0.00 N ATOM 0 H LYS A 7 89.457 4.252 29.165 1.00 0.00 H new ATOM 0 HA LYS A 7 87.576 5.891 30.576 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.530 6.398 28.321 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.688 5.016 27.649 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.504 5.988 28.178 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.238 7.267 29.125 1.00 0.00 H new ATOM 0 HD2 LYS A 7 85.706 8.227 26.958 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.448 8.046 27.011 1.00 0.00 H new ATOM 0 HE2 LYS A 7 87.402 6.082 25.613 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.682 5.849 25.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.138 6.858 23.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.262 7.938 24.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.929 8.164 24.440 1.00 0.00 H new ATOM 114 N ALA A 8 86.474 3.022 29.393 1.00 0.00 N ATOM 115 CA ALA A 8 85.316 2.091 29.473 1.00 0.00 C ATOM 116 C ALA A 8 84.965 1.850 30.943 1.00 0.00 C ATOM 117 O ALA A 8 83.810 1.760 31.307 1.00 0.00 O ATOM 118 CB ALA A 8 85.684 0.762 28.809 1.00 0.00 C ATOM 0 H ALA A 8 87.292 2.656 28.905 1.00 0.00 H new ATOM 0 HA ALA A 8 84.459 2.526 28.959 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.836 0.079 28.867 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.939 0.936 27.764 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.539 0.323 29.323 1.00 0.00 H new ATOM 124 N GLN A 9 85.951 1.745 31.792 1.00 0.00 N ATOM 125 CA GLN A 9 85.665 1.513 33.238 1.00 0.00 C ATOM 126 C GLN A 9 84.826 2.672 33.788 1.00 0.00 C ATOM 127 O GLN A 9 83.868 2.473 34.509 1.00 0.00 O ATOM 128 CB GLN A 9 86.985 1.440 34.012 1.00 0.00 C ATOM 129 CG GLN A 9 87.727 0.152 33.648 1.00 0.00 C ATOM 130 CD GLN A 9 89.043 0.083 34.423 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.097 0.437 35.584 1.00 0.00 O ATOM 132 NE2 GLN A 9 90.115 -0.361 33.827 1.00 0.00 N ATOM 0 H GLN A 9 86.939 1.809 31.549 1.00 0.00 H new ATOM 0 HA GLN A 9 85.117 0.578 33.352 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.604 2.306 33.777 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.791 1.468 35.084 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.109 -0.715 33.883 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.922 0.123 32.576 1.00 0.00 H new ATOM 0 HE21 GLN A 9 90.071 -0.658 32.852 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.998 -0.411 34.336 1.00 0.00 H new ATOM 141 N GLU A 10 85.185 3.885 33.459 1.00 0.00 N ATOM 142 CA GLU A 10 84.421 5.064 33.964 1.00 0.00 C ATOM 143 C GLU A 10 82.967 5.003 33.481 1.00 0.00 C ATOM 144 O GLU A 10 82.049 5.336 34.205 1.00 0.00 O ATOM 145 CB GLU A 10 85.085 6.349 33.462 1.00 0.00 C ATOM 146 CG GLU A 10 84.314 7.569 33.974 1.00 0.00 C ATOM 147 CD GLU A 10 85.044 8.846 33.555 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.161 8.738 33.076 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.474 9.912 33.721 1.00 0.00 O ATOM 0 H GLU A 10 85.979 4.111 32.859 1.00 0.00 H new ATOM 0 HA GLU A 10 84.424 5.053 35.054 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.119 6.392 33.804 1.00 0.00 H new ATOM 0 HB3 GLU A 10 85.109 6.354 32.372 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.301 7.568 33.571 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.226 7.527 35.060 1.00 0.00 H new ATOM 156 N GLU A 11 82.750 4.601 32.258 1.00 0.00 N ATOM 157 CA GLU A 11 81.355 4.539 31.717 1.00 0.00 C ATOM 158 C GLU A 11 80.792 3.126 31.886 1.00 0.00 C ATOM 159 O GLU A 11 79.746 2.800 31.362 1.00 0.00 O ATOM 160 CB GLU A 11 81.376 4.889 30.227 1.00 0.00 C ATOM 161 CG GLU A 11 81.697 6.375 30.048 1.00 0.00 C ATOM 162 CD GLU A 11 81.760 6.704 28.555 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.654 5.783 27.762 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.914 7.870 28.232 1.00 0.00 O ATOM 0 H GLU A 11 83.479 4.311 31.606 1.00 0.00 H new ATOM 0 HA GLU A 11 80.729 5.247 32.261 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.121 4.282 29.712 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.410 4.659 29.776 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.935 6.984 30.534 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.648 6.613 30.525 1.00 0.00 H new ATOM 171 N CYS A 12 81.476 2.283 32.608 1.00 0.00 N ATOM 172 CA CYS A 12 80.978 0.889 32.802 1.00 0.00 C ATOM 173 C CYS A 12 79.491 0.918 33.174 1.00 0.00 C ATOM 174 O CYS A 12 78.711 0.110 32.711 1.00 0.00 O ATOM 175 CB CYS A 12 81.773 0.223 33.926 1.00 0.00 C ATOM 176 SG CYS A 12 81.202 -1.480 34.144 1.00 0.00 S ATOM 0 H CYS A 12 82.358 2.497 33.073 1.00 0.00 H new ATOM 0 HA CYS A 12 81.105 0.325 31.878 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.837 0.233 33.689 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.648 0.781 34.854 1.00 0.00 H new ATOM 181 N GLU A 13 79.095 1.843 34.005 1.00 0.00 N ATOM 182 CA GLU A 13 77.660 1.931 34.406 1.00 0.00 C ATOM 183 C GLU A 13 76.782 2.163 33.172 1.00 0.00 C ATOM 184 O GLU A 13 75.700 1.622 33.059 1.00 0.00 O ATOM 185 CB GLU A 13 77.475 3.088 35.389 1.00 0.00 C ATOM 186 CG GLU A 13 78.133 2.733 36.724 1.00 0.00 C ATOM 187 CD GLU A 13 78.067 3.940 37.663 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.619 4.985 37.222 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.462 3.796 38.809 1.00 0.00 O ATOM 0 H GLU A 13 79.705 2.544 34.425 1.00 0.00 H new ATOM 0 HA GLU A 13 77.365 0.995 34.881 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.918 3.998 34.984 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.414 3.288 35.536 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.627 1.880 37.175 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.171 2.440 36.564 1.00 0.00 H new ATOM 196 N LYS A 14 77.226 2.981 32.258 1.00 0.00 N ATOM 197 CA LYS A 14 76.403 3.265 31.047 1.00 0.00 C ATOM 198 C LYS A 14 76.142 1.971 30.270 1.00 0.00 C ATOM 199 O LYS A 14 75.061 1.754 29.760 1.00 0.00 O ATOM 200 CB LYS A 14 77.139 4.260 30.147 1.00 0.00 C ATOM 201 CG LYS A 14 76.193 4.736 29.041 1.00 0.00 C ATOM 202 CD LYS A 14 76.919 5.732 28.135 1.00 0.00 C ATOM 203 CE LYS A 14 75.948 6.253 27.072 1.00 0.00 C ATOM 204 NZ LYS A 14 75.593 5.149 26.135 1.00 0.00 N ATOM 0 H LYS A 14 78.123 3.465 32.297 1.00 0.00 H new ATOM 0 HA LYS A 14 75.450 3.691 31.360 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.488 5.110 30.734 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.021 3.790 29.711 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.844 3.885 28.456 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.312 5.204 29.479 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.308 6.561 28.726 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.774 5.251 27.659 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.048 6.644 27.547 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.402 7.078 26.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.165 5.548 25.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.451 4.620 25.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.915 4.508 26.594 1.00 0.00 H new ATOM 218 N TYR A 15 77.117 1.108 30.166 1.00 0.00 N ATOM 219 CA TYR A 15 76.905 -0.164 29.409 1.00 0.00 C ATOM 220 C TYR A 15 76.264 -1.208 30.329 1.00 0.00 C ATOM 221 O TYR A 15 75.626 -2.136 29.874 1.00 0.00 O ATOM 222 CB TYR A 15 78.250 -0.697 28.912 1.00 0.00 C ATOM 223 CG TYR A 15 78.882 0.298 27.967 1.00 0.00 C ATOM 224 CD1 TYR A 15 79.734 1.292 28.466 1.00 0.00 C ATOM 225 CD2 TYR A 15 78.621 0.224 26.595 1.00 0.00 C ATOM 226 CE1 TYR A 15 80.325 2.210 27.591 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.212 1.144 25.718 1.00 0.00 C ATOM 228 CZ TYR A 15 80.065 2.137 26.216 1.00 0.00 C ATOM 229 OH TYR A 15 80.648 3.043 25.352 1.00 0.00 O ATOM 0 H TYR A 15 78.047 1.226 30.569 1.00 0.00 H new ATOM 0 HA TYR A 15 76.250 0.031 28.560 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.913 -0.880 29.758 1.00 0.00 H new ATOM 0 HB3 TYR A 15 78.108 -1.652 28.406 1.00 0.00 H new ATOM 0 HD1 TYR A 15 79.934 1.350 29.526 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.964 -0.542 26.211 1.00 0.00 H new ATOM 0 HE1 TYR A 15 80.982 2.976 27.976 1.00 0.00 H new ATOM 0 HE2 TYR A 15 79.010 1.087 24.659 1.00 0.00 H new ATOM 0 HH TYR A 15 80.757 2.630 24.470 1.00 0.00 H new ATOM 239 N HIS A 16 76.434 -1.065 31.617 1.00 0.00 N ATOM 240 CA HIS A 16 75.839 -2.042 32.578 1.00 0.00 C ATOM 241 C HIS A 16 76.330 -3.456 32.254 1.00 0.00 C ATOM 242 O HIS A 16 77.515 -3.706 32.160 1.00 0.00 O ATOM 243 CB HIS A 16 74.307 -1.995 32.502 1.00 0.00 C ATOM 244 CG HIS A 16 73.820 -0.616 32.856 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.810 -0.149 34.163 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.307 0.401 32.089 1.00 0.00 C ATOM 247 CE1 HIS A 16 73.305 1.099 34.144 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.984 1.479 32.906 1.00 0.00 N ATOM 0 H HIS A 16 76.964 -0.307 32.048 1.00 0.00 H new ATOM 0 HA HIS A 16 76.151 -1.775 33.588 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.975 -2.261 31.498 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.877 -2.728 33.184 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.175 0.369 31.018 1.00 0.00 H new ATOM 0 HE1 HIS A 16 73.176 1.715 35.021 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.585 2.373 32.619 1.00 0.00 H new ATOM 257 N SER A 17 75.425 -4.388 32.092 1.00 0.00 N ATOM 258 CA SER A 17 75.831 -5.793 31.788 1.00 0.00 C ATOM 259 C SER A 17 75.961 -5.990 30.274 1.00 0.00 C ATOM 260 O SER A 17 76.289 -7.064 29.810 1.00 0.00 O ATOM 261 CB SER A 17 74.768 -6.752 32.327 1.00 0.00 C ATOM 262 OG SER A 17 74.625 -6.559 33.728 1.00 0.00 O ATOM 0 H SER A 17 74.419 -4.235 32.158 1.00 0.00 H new ATOM 0 HA SER A 17 76.793 -5.995 32.259 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.816 -6.576 31.826 1.00 0.00 H new ATOM 0 HB3 SER A 17 75.053 -7.783 32.118 1.00 0.00 H new ATOM 0 HG SER A 17 73.943 -7.171 34.075 1.00 0.00 H new ATOM 268 N ASN A 18 75.706 -4.974 29.496 1.00 0.00 N ATOM 269 CA ASN A 18 75.815 -5.132 28.016 1.00 0.00 C ATOM 270 C ASN A 18 77.281 -5.037 27.596 1.00 0.00 C ATOM 271 O ASN A 18 77.712 -4.054 27.027 1.00 0.00 O ATOM 272 CB ASN A 18 75.029 -4.022 27.316 1.00 0.00 C ATOM 273 CG ASN A 18 73.531 -4.240 27.517 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.095 -5.339 27.796 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.718 -3.230 27.381 1.00 0.00 N ATOM 0 H ASN A 18 75.429 -4.047 29.817 1.00 0.00 H new ATOM 0 HA ASN A 18 75.410 -6.104 27.734 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.321 -3.051 27.715 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.265 -4.013 26.252 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.715 -3.362 27.509 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.085 -2.308 27.147 1.00 0.00 H new ATOM 282 N TRP A 19 78.051 -6.052 27.869 1.00 0.00 N ATOM 283 CA TRP A 19 79.487 -6.016 27.478 1.00 0.00 C ATOM 284 C TRP A 19 79.606 -6.111 25.952 1.00 0.00 C ATOM 285 O TRP A 19 80.568 -5.654 25.368 1.00 0.00 O ATOM 286 CB TRP A 19 80.231 -7.180 28.137 1.00 0.00 C ATOM 287 CG TRP A 19 79.661 -8.481 27.672 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.723 -9.203 28.327 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.976 -9.222 26.459 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.451 -10.346 27.597 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.197 -10.403 26.437 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.855 -8.988 25.389 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.290 -11.320 25.390 1.00 0.00 C ATOM 294 CZ3 TRP A 19 80.949 -9.906 24.332 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.169 -11.070 24.333 1.00 0.00 C ATOM 0 H TRP A 19 77.750 -6.903 28.344 1.00 0.00 H new ATOM 0 HA TRP A 19 79.931 -5.078 27.812 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.292 -7.130 27.891 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.151 -7.106 29.222 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.262 -8.932 29.265 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.781 -11.060 27.881 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.463 -8.095 25.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.687 -12.216 25.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.626 -9.714 23.513 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.247 -11.774 23.517 1.00 0.00 H new ATOM 306 N ARG A 20 78.637 -6.700 25.300 1.00 0.00 N ATOM 307 CA ARG A 20 78.699 -6.818 23.812 1.00 0.00 C ATOM 308 C ARG A 20 78.757 -5.430 23.171 1.00 0.00 C ATOM 309 O ARG A 20 79.481 -5.204 22.223 1.00 0.00 O ATOM 310 CB ARG A 20 77.458 -7.550 23.299 1.00 0.00 C ATOM 311 CG ARG A 20 77.524 -9.024 23.699 1.00 0.00 C ATOM 312 CD ARG A 20 76.279 -9.745 23.181 1.00 0.00 C ATOM 313 NE ARG A 20 76.340 -11.183 23.564 1.00 0.00 N ATOM 314 CZ ARG A 20 75.268 -11.922 23.496 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.139 -11.399 23.100 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.325 -13.185 23.820 1.00 0.00 N ATOM 0 H ARG A 20 77.806 -7.104 25.733 1.00 0.00 H new ATOM 0 HA ARG A 20 79.596 -7.377 23.546 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.558 -7.092 23.710 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.394 -7.460 22.215 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.422 -9.484 23.288 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.587 -9.116 24.783 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.381 -9.286 23.595 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.215 -9.649 22.097 1.00 0.00 H new ATOM 0 HE ARG A 20 77.221 -11.590 23.880 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.096 -10.413 22.844 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.300 -11.977 23.047 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.208 -13.594 24.126 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.487 -13.763 23.767 1.00 0.00 H new ATOM 330 N ALA A 21 77.999 -4.500 23.679 1.00 0.00 N ATOM 331 CA ALA A 21 78.015 -3.131 23.093 1.00 0.00 C ATOM 332 C ALA A 21 79.389 -2.508 23.334 1.00 0.00 C ATOM 333 O ALA A 21 79.932 -1.825 22.490 1.00 0.00 O ATOM 334 CB ALA A 21 76.928 -2.278 23.756 1.00 0.00 C ATOM 0 H ALA A 21 77.371 -4.627 24.472 1.00 0.00 H new ATOM 0 HA ALA A 21 77.820 -3.180 22.022 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.940 -1.276 23.327 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.953 -2.734 23.585 1.00 0.00 H new ATOM 0 HB3 ALA A 21 77.117 -2.216 24.828 1.00 0.00 H new ATOM 340 N MET A 22 79.954 -2.744 24.485 1.00 0.00 N ATOM 341 CA MET A 22 81.294 -2.174 24.797 1.00 0.00 C ATOM 342 C MET A 22 82.320 -2.681 23.781 1.00 0.00 C ATOM 343 O MET A 22 83.093 -1.920 23.235 1.00 0.00 O ATOM 344 CB MET A 22 81.710 -2.625 26.198 1.00 0.00 C ATOM 345 CG MET A 22 82.965 -1.869 26.635 1.00 0.00 C ATOM 346 SD MET A 22 83.664 -2.664 28.104 1.00 0.00 S ATOM 347 CE MET A 22 82.192 -2.576 29.149 1.00 0.00 C ATOM 0 H MET A 22 79.543 -3.310 25.227 1.00 0.00 H new ATOM 0 HA MET A 22 81.248 -1.086 24.751 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.900 -2.442 26.904 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.901 -3.698 26.203 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.698 -1.862 25.828 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.720 -0.829 26.852 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.491 -2.554 30.197 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.631 -1.672 28.912 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.565 -3.449 28.969 1.00 0.00 H new ATOM 357 N ALA A 23 82.336 -3.960 23.522 1.00 0.00 N ATOM 358 CA ALA A 23 83.319 -4.510 22.545 1.00 0.00 C ATOM 359 C ALA A 23 83.114 -3.832 21.185 1.00 0.00 C ATOM 360 O ALA A 23 84.056 -3.514 20.488 1.00 0.00 O ATOM 361 CB ALA A 23 83.099 -6.023 22.413 1.00 0.00 C ATOM 0 H ALA A 23 81.712 -4.647 23.944 1.00 0.00 H new ATOM 0 HA ALA A 23 84.335 -4.320 22.890 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.814 -6.434 21.700 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.241 -6.497 23.384 1.00 0.00 H new ATOM 0 HB3 ALA A 23 82.085 -6.214 22.061 1.00 0.00 H new ATOM 367 N SER A 24 81.886 -3.616 20.809 1.00 0.00 N ATOM 368 CA SER A 24 81.601 -2.965 19.498 1.00 0.00 C ATOM 369 C SER A 24 82.142 -1.533 19.491 1.00 0.00 C ATOM 370 O SER A 24 82.656 -1.060 18.497 1.00 0.00 O ATOM 371 CB SER A 24 80.092 -2.937 19.263 1.00 0.00 C ATOM 372 OG SER A 24 79.619 -4.265 19.078 1.00 0.00 O ATOM 0 H SER A 24 81.061 -3.863 21.356 1.00 0.00 H new ATOM 0 HA SER A 24 82.088 -3.533 18.706 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.589 -2.475 20.112 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.860 -2.331 18.387 1.00 0.00 H new ATOM 0 HG SER A 24 79.521 -4.702 19.950 1.00 0.00 H new ATOM 378 N ASP A 25 82.004 -0.831 20.581 1.00 0.00 N ATOM 379 CA ASP A 25 82.482 0.581 20.627 1.00 0.00 C ATOM 380 C ASP A 25 84.009 0.625 20.599 1.00 0.00 C ATOM 381 O ASP A 25 84.603 1.411 19.889 1.00 0.00 O ATOM 382 CB ASP A 25 81.995 1.230 21.920 1.00 0.00 C ATOM 383 CG ASP A 25 82.227 2.740 21.857 1.00 0.00 C ATOM 384 OD1 ASP A 25 83.053 3.160 21.064 1.00 0.00 O ATOM 385 OD2 ASP A 25 81.570 3.451 22.600 1.00 0.00 O ATOM 0 H ASP A 25 81.581 -1.174 21.443 1.00 0.00 H new ATOM 0 HA ASP A 25 82.091 1.116 19.761 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.935 1.021 22.067 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.525 0.806 22.773 1.00 0.00 H new ATOM 390 N PHE A 26 84.649 -0.209 21.368 1.00 0.00 N ATOM 391 CA PHE A 26 86.146 -0.212 21.389 1.00 0.00 C ATOM 392 C PHE A 26 86.675 -1.254 20.393 1.00 0.00 C ATOM 393 O PHE A 26 87.867 -1.422 20.230 1.00 0.00 O ATOM 394 CB PHE A 26 86.644 -0.537 22.801 1.00 0.00 C ATOM 395 CG PHE A 26 86.276 0.591 23.741 1.00 0.00 C ATOM 396 CD1 PHE A 26 87.153 1.670 23.923 1.00 0.00 C ATOM 397 CD2 PHE A 26 85.057 0.561 24.429 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.808 2.714 24.792 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.714 1.604 25.297 1.00 0.00 C ATOM 400 CZ PHE A 26 85.589 2.680 25.478 1.00 0.00 C ATOM 0 H PHE A 26 84.205 -0.890 21.984 1.00 0.00 H new ATOM 0 HA PHE A 26 86.512 0.774 21.102 1.00 0.00 H new ATOM 0 HB2 PHE A 26 86.202 -1.471 23.147 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.725 -0.679 22.793 1.00 0.00 H new ATOM 0 HD1 PHE A 26 88.094 1.696 23.394 1.00 0.00 H new ATOM 0 HD2 PHE A 26 84.380 -0.269 24.290 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.483 3.545 24.932 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.773 1.578 25.827 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.324 3.485 26.147 1.00 0.00 H new ATOM 410 N ASN A 27 85.793 -1.942 19.716 1.00 0.00 N ATOM 411 CA ASN A 27 86.229 -2.960 18.710 1.00 0.00 C ATOM 412 C ASN A 27 87.203 -3.962 19.342 1.00 0.00 C ATOM 413 O ASN A 27 88.243 -4.258 18.787 1.00 0.00 O ATOM 414 CB ASN A 27 86.918 -2.256 17.539 1.00 0.00 C ATOM 415 CG ASN A 27 85.942 -1.278 16.883 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.683 -1.603 16.778 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 86.328 -0.204 16.467 1.00 0.00 N flip ATOM 0 H ASN A 27 84.783 -1.843 19.816 1.00 0.00 H new ATOM 0 HA ASN A 27 85.350 -3.499 18.357 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.801 -1.723 17.891 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.258 -2.991 16.809 1.00 0.00 H new ATOM 0 HD21 ASN A 27 87.312 0.051 16.549 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.668 0.443 16.036 1.00 0.00 H new ATOM 424 N LEU A 28 86.868 -4.490 20.492 1.00 0.00 N ATOM 425 CA LEU A 28 87.760 -5.486 21.176 1.00 0.00 C ATOM 426 C LEU A 28 86.988 -6.797 21.366 1.00 0.00 C ATOM 427 O LEU A 28 85.778 -6.789 21.466 1.00 0.00 O ATOM 428 CB LEU A 28 88.153 -4.925 22.546 1.00 0.00 C ATOM 429 CG LEU A 28 89.136 -3.749 22.367 1.00 0.00 C ATOM 430 CD1 LEU A 28 89.127 -2.867 23.620 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.566 -4.278 22.142 1.00 0.00 C ATOM 0 H LEU A 28 86.007 -4.274 20.994 1.00 0.00 H new ATOM 0 HA LEU A 28 88.653 -5.671 20.578 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.264 -4.590 23.080 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.613 -5.707 23.151 1.00 0.00 H new ATOM 0 HG LEU A 28 88.823 -3.166 21.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.823 -2.039 23.487 1.00 0.00 H new ATOM 0 HD12 LEU A 28 88.123 -2.475 23.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.429 -3.459 24.484 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.249 -3.438 22.017 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.874 -4.872 23.003 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.587 -4.899 21.247 1.00 0.00 H new ATOM 443 N PRO A 29 87.667 -7.920 21.417 1.00 0.00 N ATOM 444 CA PRO A 29 86.993 -9.239 21.601 1.00 0.00 C ATOM 445 C PRO A 29 86.414 -9.391 23.020 1.00 0.00 C ATOM 446 O PRO A 29 86.847 -8.725 23.939 1.00 0.00 O ATOM 447 CB PRO A 29 88.114 -10.259 21.347 1.00 0.00 C ATOM 448 CG PRO A 29 89.373 -9.531 21.690 1.00 0.00 C ATOM 449 CD PRO A 29 89.132 -8.070 21.307 1.00 0.00 C ATOM 0 HA PRO A 29 86.142 -9.367 20.932 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.989 -11.147 21.966 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.119 -10.592 20.309 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.600 -9.624 22.752 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.223 -9.942 21.145 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.656 -7.388 21.977 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.482 -7.857 20.297 1.00 0.00 H new ATOM 457 N PRO A 30 85.443 -10.260 23.201 1.00 0.00 N ATOM 458 CA PRO A 30 84.808 -10.488 24.533 1.00 0.00 C ATOM 459 C PRO A 30 85.836 -10.584 25.670 1.00 0.00 C ATOM 460 O PRO A 30 85.510 -10.414 26.829 1.00 0.00 O ATOM 461 CB PRO A 30 84.078 -11.831 24.365 1.00 0.00 C ATOM 462 CG PRO A 30 83.778 -11.946 22.901 1.00 0.00 C ATOM 463 CD PRO A 30 84.840 -11.118 22.158 1.00 0.00 C ATOM 0 HA PRO A 30 84.153 -9.661 24.809 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.699 -12.660 24.704 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.162 -11.856 24.956 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.808 -12.988 22.582 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.777 -11.575 22.682 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.588 -11.760 21.692 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.392 -10.521 21.364 1.00 0.00 H new ATOM 471 N VAL A 31 87.063 -10.884 25.350 1.00 0.00 N ATOM 472 CA VAL A 31 88.100 -11.024 26.411 1.00 0.00 C ATOM 473 C VAL A 31 88.249 -9.711 27.190 1.00 0.00 C ATOM 474 O VAL A 31 88.244 -9.702 28.406 1.00 0.00 O ATOM 475 CB VAL A 31 89.438 -11.398 25.756 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.582 -11.310 26.775 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.349 -12.829 25.220 1.00 0.00 C ATOM 0 H VAL A 31 87.394 -11.039 24.398 1.00 0.00 H new ATOM 0 HA VAL A 31 87.799 -11.805 27.109 1.00 0.00 H new ATOM 0 HB VAL A 31 89.640 -10.701 24.942 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.521 -11.579 26.292 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.650 -10.292 27.159 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.389 -11.997 27.599 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.295 -13.102 24.753 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.139 -13.513 26.042 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.549 -12.892 24.482 1.00 0.00 H new ATOM 487 N VAL A 32 88.404 -8.608 26.513 1.00 0.00 N ATOM 488 CA VAL A 32 88.579 -7.317 27.243 1.00 0.00 C ATOM 489 C VAL A 32 87.246 -6.825 27.817 1.00 0.00 C ATOM 490 O VAL A 32 87.190 -6.350 28.934 1.00 0.00 O ATOM 491 CB VAL A 32 89.146 -6.260 26.298 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.359 -4.953 27.070 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.481 -6.748 25.735 1.00 0.00 C ATOM 0 H VAL A 32 88.417 -8.542 25.495 1.00 0.00 H new ATOM 0 HA VAL A 32 89.272 -7.484 28.068 1.00 0.00 H new ATOM 0 HB VAL A 32 88.449 -6.087 25.478 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.764 -4.196 26.399 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.406 -4.609 27.473 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.059 -5.124 27.888 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.888 -5.995 25.060 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.181 -6.918 26.553 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.327 -7.679 25.190 1.00 0.00 H new ATOM 503 N ALA A 33 86.176 -6.913 27.073 1.00 0.00 N ATOM 504 CA ALA A 33 84.875 -6.424 27.613 1.00 0.00 C ATOM 505 C ALA A 33 84.522 -7.209 28.876 1.00 0.00 C ATOM 506 O ALA A 33 84.215 -6.642 29.906 1.00 0.00 O ATOM 507 CB ALA A 33 83.774 -6.597 26.561 1.00 0.00 C ATOM 0 H ALA A 33 86.145 -7.296 26.128 1.00 0.00 H new ATOM 0 HA ALA A 33 84.960 -5.366 27.859 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.827 -6.238 26.963 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.030 -6.025 25.669 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.681 -7.652 26.302 1.00 0.00 H new ATOM 513 N LYS A 34 84.578 -8.509 28.812 1.00 0.00 N ATOM 514 CA LYS A 34 84.262 -9.323 30.018 1.00 0.00 C ATOM 515 C LYS A 34 85.227 -8.975 31.152 1.00 0.00 C ATOM 516 O LYS A 34 84.846 -8.900 32.303 1.00 0.00 O ATOM 517 CB LYS A 34 84.374 -10.814 29.692 1.00 0.00 C ATOM 518 CG LYS A 34 83.211 -11.230 28.790 1.00 0.00 C ATOM 519 CD LYS A 34 83.321 -12.722 28.466 1.00 0.00 C ATOM 520 CE LYS A 34 82.094 -13.162 27.666 1.00 0.00 C ATOM 521 NZ LYS A 34 82.284 -14.562 27.189 1.00 0.00 N ATOM 0 H LYS A 34 84.828 -9.042 27.979 1.00 0.00 H new ATOM 0 HA LYS A 34 83.242 -9.100 30.331 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.323 -11.018 29.196 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.362 -11.400 30.611 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.262 -11.024 29.285 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.224 -10.646 27.870 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.229 -12.915 27.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.395 -13.301 29.387 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.200 -13.097 28.286 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.942 -12.495 26.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.449 -14.860 26.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.128 -14.611 26.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.408 -15.193 28.006 1.00 0.00 H new ATOM 535 N GLU A 35 86.478 -8.777 30.841 1.00 0.00 N ATOM 536 CA GLU A 35 87.467 -8.454 31.909 1.00 0.00 C ATOM 537 C GLU A 35 87.100 -7.135 32.586 1.00 0.00 C ATOM 538 O GLU A 35 87.206 -6.995 33.788 1.00 0.00 O ATOM 539 CB GLU A 35 88.861 -8.327 31.295 1.00 0.00 C ATOM 540 CG GLU A 35 89.913 -8.230 32.408 1.00 0.00 C ATOM 541 CD GLU A 35 89.949 -6.810 32.981 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.651 -5.882 32.247 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.278 -6.675 34.148 1.00 0.00 O ATOM 0 H GLU A 35 86.858 -8.825 29.896 1.00 0.00 H new ATOM 0 HA GLU A 35 87.458 -9.254 32.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.068 -9.188 30.660 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.909 -7.443 30.659 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.682 -8.943 33.199 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.894 -8.496 32.015 1.00 0.00 H new ATOM 550 N ILE A 36 86.662 -6.165 31.832 1.00 0.00 N ATOM 551 CA ILE A 36 86.289 -4.868 32.455 1.00 0.00 C ATOM 552 C ILE A 36 85.160 -5.134 33.450 1.00 0.00 C ATOM 553 O ILE A 36 85.151 -4.616 34.549 1.00 0.00 O ATOM 554 CB ILE A 36 85.848 -3.892 31.362 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.075 -3.500 30.528 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.242 -2.638 32.000 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.624 -2.810 29.241 1.00 0.00 C ATOM 0 H ILE A 36 86.547 -6.215 30.820 1.00 0.00 H new ATOM 0 HA ILE A 36 87.134 -4.423 32.980 1.00 0.00 H new ATOM 0 HB ILE A 36 85.099 -4.364 30.726 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.719 -2.834 31.102 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.663 -4.386 30.290 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.930 -1.946 31.218 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.378 -2.918 32.603 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.986 -2.156 32.634 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.498 -2.533 28.651 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.997 -3.490 28.664 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.055 -1.914 29.489 1.00 0.00 H new ATOM 569 N VAL A 37 84.234 -5.981 33.090 1.00 0.00 N ATOM 570 CA VAL A 37 83.133 -6.338 34.028 1.00 0.00 C ATOM 571 C VAL A 37 83.743 -7.114 35.198 1.00 0.00 C ATOM 572 O VAL A 37 83.371 -6.939 36.341 1.00 0.00 O ATOM 573 CB VAL A 37 82.103 -7.212 33.304 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.105 -7.788 34.314 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.353 -6.361 32.276 1.00 0.00 C ATOM 0 H VAL A 37 84.193 -6.443 32.182 1.00 0.00 H new ATOM 0 HA VAL A 37 82.634 -5.439 34.390 1.00 0.00 H new ATOM 0 HB VAL A 37 82.616 -8.032 32.801 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.376 -8.408 33.792 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.638 -8.394 35.047 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.590 -6.973 34.822 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.619 -6.979 31.758 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.844 -5.542 32.784 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.061 -5.956 31.553 1.00 0.00 H new ATOM 585 N ALA A 38 84.680 -7.976 34.908 1.00 0.00 N ATOM 586 CA ALA A 38 85.329 -8.779 35.981 1.00 0.00 C ATOM 587 C ALA A 38 85.928 -7.844 37.032 1.00 0.00 C ATOM 588 O ALA A 38 86.181 -8.239 38.152 1.00 0.00 O ATOM 589 CB ALA A 38 86.447 -9.626 35.373 1.00 0.00 C ATOM 0 H ALA A 38 85.025 -8.159 33.966 1.00 0.00 H new ATOM 0 HA ALA A 38 84.585 -9.425 36.447 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.924 -10.215 36.156 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.029 -10.294 34.620 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.186 -8.973 34.909 1.00 0.00 H new ATOM 595 N SER A 39 86.161 -6.605 36.685 1.00 0.00 N ATOM 596 CA SER A 39 86.747 -5.655 37.675 1.00 0.00 C ATOM 597 C SER A 39 85.618 -4.999 38.468 1.00 0.00 C ATOM 598 O SER A 39 85.663 -4.916 39.679 1.00 0.00 O ATOM 599 CB SER A 39 87.543 -4.578 36.936 1.00 0.00 C ATOM 600 OG SER A 39 88.716 -5.158 36.381 1.00 0.00 O ATOM 0 H SER A 39 85.972 -6.212 35.763 1.00 0.00 H new ATOM 0 HA SER A 39 87.409 -6.193 38.354 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.934 -4.136 36.147 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.810 -3.773 37.621 1.00 0.00 H new ATOM 0 HG SER A 39 89.227 -4.470 35.905 1.00 0.00 H new ATOM 606 N CYS A 40 84.599 -4.548 37.797 1.00 0.00 N ATOM 607 CA CYS A 40 83.463 -3.915 38.519 1.00 0.00 C ATOM 608 C CYS A 40 82.864 -4.938 39.486 1.00 0.00 C ATOM 609 O CYS A 40 82.546 -6.048 39.106 1.00 0.00 O ATOM 610 CB CYS A 40 82.402 -3.473 37.510 1.00 0.00 C ATOM 611 SG CYS A 40 81.276 -2.291 38.290 1.00 0.00 S ATOM 0 H CYS A 40 84.503 -4.590 36.782 1.00 0.00 H new ATOM 0 HA CYS A 40 83.811 -3.044 39.074 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.879 -3.018 36.642 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.845 -4.338 37.151 1.00 0.00 H new ATOM 616 N ASP A 41 82.713 -4.584 40.732 1.00 0.00 N ATOM 617 CA ASP A 41 82.143 -5.550 41.713 1.00 0.00 C ATOM 618 C ASP A 41 80.621 -5.612 41.556 1.00 0.00 C ATOM 619 O ASP A 41 79.990 -6.581 41.929 1.00 0.00 O ATOM 620 CB ASP A 41 82.495 -5.097 43.132 1.00 0.00 C ATOM 621 CG ASP A 41 83.996 -5.283 43.370 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.611 -6.006 42.603 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.503 -4.703 44.315 1.00 0.00 O ATOM 0 H ASP A 41 82.959 -3.670 41.113 1.00 0.00 H new ATOM 0 HA ASP A 41 82.561 -6.540 41.531 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.221 -4.051 43.270 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.926 -5.674 43.861 1.00 0.00 H new ATOM 628 N LYS A 42 80.027 -4.584 41.016 1.00 0.00 N ATOM 629 CA LYS A 42 78.544 -4.579 40.844 1.00 0.00 C ATOM 630 C LYS A 42 78.127 -5.428 39.636 1.00 0.00 C ATOM 631 O LYS A 42 77.229 -6.242 39.721 1.00 0.00 O ATOM 632 CB LYS A 42 78.066 -3.141 40.629 1.00 0.00 C ATOM 633 CG LYS A 42 78.213 -2.342 41.925 1.00 0.00 C ATOM 634 CD LYS A 42 77.731 -0.909 41.693 1.00 0.00 C ATOM 635 CE LYS A 42 77.871 -0.102 42.986 1.00 0.00 C ATOM 636 NZ LYS A 42 77.614 1.339 42.702 1.00 0.00 N ATOM 0 H LYS A 42 80.504 -3.745 40.685 1.00 0.00 H new ATOM 0 HA LYS A 42 78.092 -5.002 41.741 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.646 -2.671 39.835 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.025 -3.139 40.307 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.633 -2.809 42.721 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.254 -2.340 42.248 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.313 -0.444 40.898 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.691 -0.913 41.366 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.167 -0.468 43.734 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.871 -0.229 43.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.709 1.888 43.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.302 1.683 42.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.651 1.452 42.325 1.00 0.00 H new ATOM 650 N CYS A 43 78.747 -5.224 38.504 1.00 0.00 N ATOM 651 CA CYS A 43 78.357 -5.995 37.287 1.00 0.00 C ATOM 652 C CYS A 43 78.922 -7.419 37.328 1.00 0.00 C ATOM 653 O CYS A 43 78.395 -8.314 36.699 1.00 0.00 O ATOM 654 CB CYS A 43 78.883 -5.276 36.045 1.00 0.00 C ATOM 655 SG CYS A 43 78.104 -3.645 35.918 1.00 0.00 S ATOM 0 H CYS A 43 79.507 -4.557 38.369 1.00 0.00 H new ATOM 0 HA CYS A 43 77.269 -6.060 37.254 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.966 -5.170 36.104 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.668 -5.864 35.153 1.00 0.00 H new ATOM 660 N GLN A 44 79.991 -7.643 38.040 1.00 0.00 N ATOM 661 CA GLN A 44 80.572 -9.016 38.077 1.00 0.00 C ATOM 662 C GLN A 44 79.649 -9.964 38.847 1.00 0.00 C ATOM 663 O GLN A 44 79.437 -11.093 38.451 1.00 0.00 O ATOM 664 CB GLN A 44 81.938 -8.970 38.766 1.00 0.00 C ATOM 665 CG GLN A 44 82.579 -10.360 38.728 1.00 0.00 C ATOM 666 CD GLN A 44 83.970 -10.293 39.358 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.901 -10.904 38.872 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.154 -9.566 40.425 1.00 0.00 N ATOM 0 H GLN A 44 80.485 -6.943 38.594 1.00 0.00 H new ATOM 0 HA GLN A 44 80.682 -9.381 37.056 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.584 -8.247 38.268 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.825 -8.639 39.798 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.957 -11.075 39.267 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.650 -10.712 37.699 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.373 -9.053 40.833 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.079 -9.511 40.851 1.00 0.00 H new ATOM 677 N LEU A 45 79.099 -9.522 39.943 1.00 0.00 N ATOM 678 CA LEU A 45 78.194 -10.407 40.736 1.00 0.00 C ATOM 679 C LEU A 45 76.764 -10.279 40.203 1.00 0.00 C ATOM 680 O LEU A 45 76.317 -9.205 39.854 1.00 0.00 O ATOM 681 CB LEU A 45 78.223 -9.981 42.207 1.00 0.00 C ATOM 682 CG LEU A 45 79.651 -10.077 42.758 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.695 -9.427 44.143 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.087 -11.547 42.874 1.00 0.00 C ATOM 0 H LEU A 45 79.236 -8.587 40.326 1.00 0.00 H new ATOM 0 HA LEU A 45 78.529 -11.441 40.648 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.856 -8.959 42.305 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.557 -10.616 42.790 1.00 0.00 H new ATOM 0 HG LEU A 45 80.329 -9.563 42.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.707 -9.491 44.543 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.402 -8.380 44.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.008 -9.947 44.811 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.103 -11.595 43.267 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.412 -12.075 43.548 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.056 -12.015 41.890 1.00 0.00 H new ATOM 696 N LYS A 46 76.038 -11.362 40.151 1.00 0.00 N ATOM 697 CA LYS A 46 74.637 -11.294 39.649 1.00 0.00 C ATOM 698 C LYS A 46 73.734 -10.781 40.769 1.00 0.00 C ATOM 699 O LYS A 46 73.233 -9.675 40.717 1.00 0.00 O ATOM 700 CB LYS A 46 74.174 -12.687 39.220 1.00 0.00 C ATOM 701 CG LYS A 46 74.961 -13.135 37.988 1.00 0.00 C ATOM 702 CD LYS A 46 74.493 -14.529 37.564 1.00 0.00 C ATOM 703 CE LYS A 46 75.277 -14.982 36.330 1.00 0.00 C ATOM 704 NZ LYS A 46 75.179 -13.941 35.266 1.00 0.00 N ATOM 0 H LYS A 46 76.354 -12.290 40.434 1.00 0.00 H new ATOM 0 HA LYS A 46 74.587 -10.621 38.793 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.320 -13.396 40.035 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.107 -12.673 38.997 1.00 0.00 H new ATOM 0 HG2 LYS A 46 74.815 -12.427 37.172 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.028 -13.150 38.210 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.640 -15.236 38.380 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.426 -14.514 37.343 1.00 0.00 H new ATOM 0 HE2 LYS A 46 76.321 -15.152 36.592 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.882 -15.930 35.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 75.403 -14.365 34.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 74.213 -13.556 35.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 75.853 -13.175 35.467 1.00 0.00 H new ATOM 718 N GLY A 47 73.526 -11.581 41.784 1.00 0.00 N ATOM 719 CA GLY A 47 72.660 -11.161 42.933 1.00 0.00 C ATOM 720 C GLY A 47 71.524 -12.168 43.123 1.00 0.00 C ATOM 721 O GLY A 47 70.408 -11.946 42.700 1.00 0.00 O ATOM 0 H GLY A 47 73.922 -12.517 41.868 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.255 -11.095 43.844 1.00 0.00 H new ATOM 0 HA3 GLY A 47 72.250 -10.168 42.747 1.00 0.00 H new ATOM 725 N GLU A 48 71.798 -13.272 43.772 1.00 0.00 N ATOM 726 CA GLU A 48 70.736 -14.296 44.010 1.00 0.00 C ATOM 727 C GLU A 48 70.986 -14.954 45.367 1.00 0.00 C ATOM 728 O GLU A 48 70.267 -15.840 45.784 1.00 0.00 O ATOM 729 CB GLU A 48 70.788 -15.370 42.917 1.00 0.00 C ATOM 730 CG GLU A 48 70.481 -14.747 41.556 1.00 0.00 C ATOM 731 CD GLU A 48 70.407 -15.851 40.497 1.00 0.00 C ATOM 732 OE1 GLU A 48 70.393 -17.009 40.880 1.00 0.00 O ATOM 733 OE2 GLU A 48 70.355 -15.519 39.325 1.00 0.00 O ATOM 0 H GLU A 48 72.716 -13.509 44.149 1.00 0.00 H new ATOM 0 HA GLU A 48 69.758 -13.816 43.993 1.00 0.00 H new ATOM 0 HB2 GLU A 48 71.774 -15.835 42.899 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.068 -16.158 43.136 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.537 -14.203 41.597 1.00 0.00 H new ATOM 0 HG3 GLU A 48 71.254 -14.025 41.291 1.00 0.00 H new ATOM 740 N ALA A 49 72.007 -14.526 46.057 1.00 0.00 N ATOM 741 CA ALA A 49 72.321 -15.119 47.388 1.00 0.00 C ATOM 742 C ALA A 49 71.349 -14.585 48.444 1.00 0.00 C ATOM 743 O ALA A 49 70.714 -13.568 48.259 1.00 0.00 O ATOM 744 CB ALA A 49 73.753 -14.748 47.783 1.00 0.00 C ATOM 0 H ALA A 49 72.641 -13.787 45.754 1.00 0.00 H new ATOM 0 HA ALA A 49 72.222 -16.203 47.328 1.00 0.00 H new ATOM 0 HB1 ALA A 49 73.986 -15.180 48.756 1.00 0.00 H new ATOM 0 HB2 ALA A 49 74.448 -15.136 47.038 1.00 0.00 H new ATOM 0 HB3 ALA A 49 73.846 -13.663 47.836 1.00 0.00 H new ATOM 750 N MET A 50 71.242 -15.272 49.551 1.00 0.00 N ATOM 751 CA MET A 50 70.327 -14.829 50.647 1.00 0.00 C ATOM 752 C MET A 50 68.882 -15.187 50.294 1.00 0.00 C ATOM 753 O MET A 50 68.020 -15.235 51.149 1.00 0.00 O ATOM 754 CB MET A 50 70.458 -13.305 50.861 1.00 0.00 C ATOM 755 CG MET A 50 70.155 -12.949 52.323 1.00 0.00 C ATOM 756 SD MET A 50 71.622 -13.266 53.336 1.00 0.00 S ATOM 757 CE MET A 50 71.197 -12.158 54.702 1.00 0.00 C ATOM 0 H MET A 50 71.755 -16.132 49.746 1.00 0.00 H new ATOM 0 HA MET A 50 70.604 -15.339 51.570 1.00 0.00 H new ATOM 0 HB2 MET A 50 71.465 -12.979 50.600 1.00 0.00 H new ATOM 0 HB3 MET A 50 69.771 -12.777 50.200 1.00 0.00 H new ATOM 0 HG2 MET A 50 69.865 -11.901 52.401 1.00 0.00 H new ATOM 0 HG3 MET A 50 69.314 -13.540 52.686 1.00 0.00 H new ATOM 0 HE1 MET A 50 71.981 -12.196 55.458 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.103 -11.139 54.328 1.00 0.00 H new ATOM 0 HE3 MET A 50 70.251 -12.471 55.144 1.00 0.00 H new ATOM 767 N HIS A 51 68.607 -15.443 49.044 1.00 0.00 N ATOM 768 CA HIS A 51 67.215 -15.800 48.646 1.00 0.00 C ATOM 769 C HIS A 51 67.246 -16.644 47.371 1.00 0.00 C ATOM 770 O HIS A 51 68.213 -16.644 46.637 1.00 0.00 O ATOM 771 CB HIS A 51 66.405 -14.524 48.399 1.00 0.00 C ATOM 772 CG HIS A 51 66.973 -13.780 47.222 1.00 0.00 C ATOM 773 ND1 HIS A 51 67.937 -12.792 47.366 1.00 0.00 N ATOM 774 CD2 HIS A 51 66.719 -13.863 45.875 1.00 0.00 C ATOM 775 CE1 HIS A 51 68.224 -12.322 46.138 1.00 0.00 C ATOM 776 NE2 HIS A 51 67.509 -12.942 45.196 1.00 0.00 N ATOM 0 H HIS A 51 69.285 -15.421 48.282 1.00 0.00 H new ATOM 0 HA HIS A 51 66.748 -16.373 49.447 1.00 0.00 H new ATOM 0 HB2 HIS A 51 65.361 -14.775 48.213 1.00 0.00 H new ATOM 0 HB3 HIS A 51 66.427 -13.891 49.286 1.00 0.00 H new ATOM 0 HD2 HIS A 51 66.014 -14.539 45.414 1.00 0.00 H new ATOM 0 HE1 HIS A 51 68.943 -11.541 45.939 1.00 0.00 H new ATOM 0 HE2 HIS A 51 67.537 -12.775 44.190 1.00 0.00 H new ATOM 785 N GLY A 52 66.190 -17.367 47.107 1.00 0.00 N ATOM 786 CA GLY A 52 66.139 -18.222 45.883 1.00 0.00 C ATOM 787 C GLY A 52 65.455 -19.544 46.227 1.00 0.00 C ATOM 788 O GLY A 52 65.988 -20.610 45.987 1.00 0.00 O ATOM 0 H GLY A 52 65.354 -17.403 47.691 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.593 -17.711 45.090 1.00 0.00 H new ATOM 0 HA3 GLY A 52 67.147 -18.405 45.510 1.00 0.00 H new ATOM 792 N GLN A 53 64.278 -19.485 46.790 1.00 0.00 N ATOM 793 CA GLN A 53 63.565 -20.742 47.151 1.00 0.00 C ATOM 794 C GLN A 53 62.905 -21.317 45.899 1.00 0.00 C ATOM 795 O GLN A 53 62.486 -20.593 45.017 1.00 0.00 O ATOM 796 CB GLN A 53 62.494 -20.443 48.203 1.00 0.00 C ATOM 797 CG GLN A 53 61.765 -21.739 48.574 1.00 0.00 C ATOM 798 CD GLN A 53 60.774 -21.465 49.707 1.00 0.00 C ATOM 799 OE1 GLN A 53 60.784 -20.401 50.295 1.00 0.00 O ATOM 800 NE2 GLN A 53 59.918 -22.391 50.046 1.00 0.00 N ATOM 0 H GLN A 53 63.781 -18.623 47.015 1.00 0.00 H new ATOM 0 HA GLN A 53 64.275 -21.462 47.558 1.00 0.00 H new ATOM 0 HB2 GLN A 53 62.952 -20.005 49.089 1.00 0.00 H new ATOM 0 HB3 GLN A 53 61.784 -19.712 47.817 1.00 0.00 H new ATOM 0 HG2 GLN A 53 61.239 -22.134 47.705 1.00 0.00 H new ATOM 0 HG3 GLN A 53 62.485 -22.497 48.882 1.00 0.00 H new ATOM 0 HE21 GLN A 53 59.910 -23.284 49.552 1.00 0.00 H new ATOM 0 HE22 GLN A 53 59.257 -22.222 50.804 1.00 0.00 H new ATOM 809 N VAL A 54 62.804 -22.617 45.813 1.00 0.00 N ATOM 810 CA VAL A 54 62.167 -23.243 44.617 1.00 0.00 C ATOM 811 C VAL A 54 60.691 -23.506 44.918 1.00 0.00 C ATOM 812 O VAL A 54 60.354 -24.237 45.828 1.00 0.00 O ATOM 813 CB VAL A 54 62.868 -24.567 44.308 1.00 0.00 C ATOM 814 CG1 VAL A 54 62.169 -25.256 43.134 1.00 0.00 C ATOM 815 CG2 VAL A 54 64.329 -24.293 43.940 1.00 0.00 C ATOM 0 H VAL A 54 63.135 -23.273 46.520 1.00 0.00 H new ATOM 0 HA VAL A 54 62.253 -22.577 43.759 1.00 0.00 H new ATOM 0 HB VAL A 54 62.826 -25.214 45.184 1.00 0.00 H new ATOM 0 HG11 VAL A 54 62.670 -26.199 42.915 1.00 0.00 H new ATOM 0 HG12 VAL A 54 61.128 -25.449 43.393 1.00 0.00 H new ATOM 0 HG13 VAL A 54 62.211 -24.611 42.256 1.00 0.00 H new ATOM 0 HG21 VAL A 54 64.831 -25.235 43.719 1.00 0.00 H new ATOM 0 HG22 VAL A 54 64.368 -23.647 43.063 1.00 0.00 H new ATOM 0 HG23 VAL A 54 64.829 -23.802 44.775 1.00 0.00 H new ATOM 825 N ASP A 55 59.806 -22.912 44.160 1.00 0.00 N ATOM 826 CA ASP A 55 58.347 -23.122 44.399 1.00 0.00 C ATOM 827 C ASP A 55 57.591 -22.978 43.076 1.00 0.00 C ATOM 828 O ASP A 55 58.243 -22.775 42.064 1.00 0.00 O ATOM 829 CB ASP A 55 57.841 -22.079 45.401 1.00 0.00 C ATOM 830 CG ASP A 55 57.865 -20.687 44.762 1.00 0.00 C ATOM 831 OD1 ASP A 55 58.483 -20.545 43.720 1.00 0.00 O ATOM 832 OD2 ASP A 55 57.261 -19.789 45.325 1.00 0.00 O ATOM 833 OXT ASP A 55 56.375 -23.072 43.098 1.00 0.00 O ATOM 0 H ASP A 55 60.031 -22.289 43.384 1.00 0.00 H new ATOM 0 HA ASP A 55 58.180 -24.120 44.803 1.00 0.00 H new ATOM 0 HB2 ASP A 55 56.827 -22.327 45.716 1.00 0.00 H new ATOM 0 HB3 ASP A 55 58.464 -22.089 46.295 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 95.732 -12.630 23.619 1.00 0.00 N ATOM 840 CA PHE B 1 94.829 -13.502 22.815 1.00 0.00 C ATOM 841 C PHE B 1 95.627 -14.678 22.264 1.00 0.00 C ATOM 842 O PHE B 1 95.710 -14.883 21.069 1.00 0.00 O ATOM 843 CB PHE B 1 94.256 -12.695 21.655 1.00 0.00 C ATOM 844 CG PHE B 1 93.876 -11.312 22.134 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.758 -11.136 22.958 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.646 -10.203 21.752 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.410 -9.850 23.398 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.294 -8.922 22.194 1.00 0.00 C ATOM 849 CZ PHE B 1 93.178 -8.747 23.016 1.00 0.00 C ATOM 0 H1 PHE B 1 95.586 -11.636 23.349 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.520 -12.749 24.630 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.721 -12.896 23.439 1.00 0.00 H new ATOM 0 HA PHE B 1 94.018 -13.871 23.443 1.00 0.00 H new ATOM 0 HB2 PHE B 1 94.990 -12.623 20.852 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.382 -13.201 21.244 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.165 -11.988 23.254 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.510 -10.337 21.117 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.547 -9.712 24.033 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.886 -8.068 21.899 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.909 -7.758 23.357 1.00 0.00 H new ATOM 861 N LEU B 2 96.215 -15.444 23.132 1.00 0.00 N ATOM 862 CA LEU B 2 97.028 -16.620 22.694 1.00 0.00 C ATOM 863 C LEU B 2 96.251 -17.907 22.932 1.00 0.00 C ATOM 864 O LEU B 2 95.489 -18.022 23.861 1.00 0.00 O ATOM 865 CB LEU B 2 98.340 -16.661 23.485 1.00 0.00 C ATOM 866 CG LEU B 2 99.144 -15.375 23.240 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.429 -15.420 24.075 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.503 -15.248 21.748 1.00 0.00 C ATOM 0 H LEU B 2 96.170 -15.309 24.142 1.00 0.00 H new ATOM 0 HA LEU B 2 97.246 -16.525 21.630 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.129 -16.770 24.549 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.927 -17.529 23.186 1.00 0.00 H new ATOM 0 HG LEU B 2 98.542 -14.514 23.531 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.005 -14.510 23.906 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.174 -15.497 25.132 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.023 -16.285 23.782 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.073 -14.333 21.587 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.102 -16.106 21.444 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.589 -15.215 21.155 1.00 0.00 H new ATOM 880 N ASP B 3 96.452 -18.881 22.094 1.00 0.00 N ATOM 881 CA ASP B 3 95.733 -20.171 22.267 1.00 0.00 C ATOM 882 C ASP B 3 96.101 -20.752 23.627 1.00 0.00 C ATOM 883 O ASP B 3 95.263 -21.279 24.332 1.00 0.00 O ATOM 884 CB ASP B 3 96.136 -21.145 21.159 1.00 0.00 C ATOM 885 CG ASP B 3 95.559 -20.666 19.825 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.597 -19.917 19.855 1.00 0.00 O ATOM 887 OD2 ASP B 3 96.084 -21.063 18.799 1.00 0.00 O ATOM 0 H ASP B 3 97.084 -18.840 21.295 1.00 0.00 H new ATOM 0 HA ASP B 3 94.657 -20.007 22.211 1.00 0.00 H new ATOM 0 HB2 ASP B 3 97.222 -21.211 21.095 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.769 -22.145 21.388 1.00 0.00 H new ATOM 892 N GLY B 4 97.346 -20.644 24.011 1.00 0.00 N ATOM 893 CA GLY B 4 97.771 -21.169 25.345 1.00 0.00 C ATOM 894 C GLY B 4 96.742 -20.749 26.398 1.00 0.00 C ATOM 895 O GLY B 4 96.651 -21.325 27.465 1.00 0.00 O ATOM 0 H GLY B 4 98.088 -20.215 23.459 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.854 -22.255 25.313 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.756 -20.781 25.606 1.00 0.00 H new ATOM 899 N ILE B 5 95.952 -19.752 26.092 1.00 0.00 N ATOM 900 CA ILE B 5 94.911 -19.293 27.050 1.00 0.00 C ATOM 901 C ILE B 5 93.947 -20.446 27.343 1.00 0.00 C ATOM 902 O ILE B 5 93.555 -20.665 28.471 1.00 0.00 O ATOM 903 CB ILE B 5 94.157 -18.100 26.441 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.080 -16.877 26.422 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.901 -17.794 27.265 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.448 -15.763 25.581 1.00 0.00 C ATOM 0 H ILE B 5 95.986 -19.235 25.213 1.00 0.00 H new ATOM 0 HA ILE B 5 95.374 -18.978 27.985 1.00 0.00 H new ATOM 0 HB ILE B 5 93.855 -18.345 25.423 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.252 -16.524 27.439 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.052 -17.150 26.010 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.374 -16.947 26.825 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.247 -18.666 27.269 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.187 -17.551 28.288 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.108 -14.896 25.571 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.298 -16.117 24.561 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.487 -15.482 26.012 1.00 0.00 H new ATOM 918 N ASP B 6 93.573 -21.195 26.342 1.00 0.00 N ATOM 919 CA ASP B 6 92.649 -22.339 26.584 1.00 0.00 C ATOM 920 C ASP B 6 93.316 -23.305 27.566 1.00 0.00 C ATOM 921 O ASP B 6 92.685 -23.850 28.450 1.00 0.00 O ATOM 922 CB ASP B 6 92.363 -23.065 25.267 1.00 0.00 C ATOM 923 CG ASP B 6 91.399 -24.226 25.525 1.00 0.00 C ATOM 924 OD1 ASP B 6 91.181 -24.546 26.683 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.891 -24.774 24.560 1.00 0.00 O ATOM 0 H ASP B 6 93.865 -21.066 25.373 1.00 0.00 H new ATOM 0 HA ASP B 6 91.709 -21.973 26.996 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.931 -22.373 24.544 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.292 -23.438 24.836 1.00 0.00 H new ATOM 930 N LYS B 7 94.596 -23.513 27.412 1.00 0.00 N ATOM 931 CA LYS B 7 95.328 -24.433 28.325 1.00 0.00 C ATOM 932 C LYS B 7 95.309 -23.857 29.742 1.00 0.00 C ATOM 933 O LYS B 7 95.169 -24.573 30.713 1.00 0.00 O ATOM 934 CB LYS B 7 96.775 -24.581 27.850 1.00 0.00 C ATOM 935 CG LYS B 7 97.523 -25.541 28.779 1.00 0.00 C ATOM 936 CD LYS B 7 98.887 -25.893 28.173 1.00 0.00 C ATOM 937 CE LYS B 7 99.806 -24.668 28.198 1.00 0.00 C ATOM 938 NZ LYS B 7 101.216 -25.105 27.995 1.00 0.00 N ATOM 0 H LYS B 7 95.169 -23.081 26.687 1.00 0.00 H new ATOM 0 HA LYS B 7 94.847 -25.411 28.322 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.796 -24.958 26.827 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.267 -23.609 27.842 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.657 -25.083 29.759 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.937 -26.447 28.929 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.342 -26.710 28.732 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.759 -26.241 27.148 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.515 -23.965 27.417 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.709 -24.146 29.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.842 -24.275 28.012 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.489 -25.760 28.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.302 -25.585 27.077 1.00 0.00 H new ATOM 952 N ALA B 8 95.449 -22.566 29.866 1.00 0.00 N ATOM 953 CA ALA B 8 95.439 -21.943 31.218 1.00 0.00 C ATOM 954 C ALA B 8 94.118 -22.275 31.916 1.00 0.00 C ATOM 955 O ALA B 8 94.079 -22.528 33.105 1.00 0.00 O ATOM 956 CB ALA B 8 95.578 -20.425 31.080 1.00 0.00 C ATOM 0 H ALA B 8 95.570 -21.916 29.089 1.00 0.00 H new ATOM 0 HA ALA B 8 96.270 -22.330 31.807 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.571 -19.968 32.069 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.517 -20.190 30.578 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.746 -20.035 30.494 1.00 0.00 H new ATOM 962 N GLN B 9 93.033 -22.281 31.190 1.00 0.00 N ATOM 963 CA GLN B 9 91.720 -22.603 31.818 1.00 0.00 C ATOM 964 C GLN B 9 91.769 -24.011 32.421 1.00 0.00 C ATOM 965 O GLN B 9 91.317 -24.240 33.525 1.00 0.00 O ATOM 966 CB GLN B 9 90.620 -22.553 30.752 1.00 0.00 C ATOM 967 CG GLN B 9 90.389 -21.103 30.314 1.00 0.00 C ATOM 968 CD GLN B 9 89.289 -21.057 29.251 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.305 -21.763 29.348 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.416 -20.251 28.232 1.00 0.00 N ATOM 0 H GLN B 9 92.999 -22.077 30.191 1.00 0.00 H new ATOM 0 HA GLN B 9 91.508 -21.876 32.602 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.905 -23.161 29.893 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.696 -22.974 31.149 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.105 -20.494 31.172 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.312 -20.681 29.915 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.242 -19.658 28.150 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.689 -20.214 27.517 1.00 0.00 H new ATOM 979 N GLU B 10 92.307 -24.955 31.697 1.00 0.00 N ATOM 980 CA GLU B 10 92.381 -26.354 32.214 1.00 0.00 C ATOM 981 C GLU B 10 93.212 -26.404 33.502 1.00 0.00 C ATOM 982 O GLU B 10 92.891 -27.120 34.430 1.00 0.00 O ATOM 983 CB GLU B 10 93.016 -27.254 31.148 1.00 0.00 C ATOM 984 CG GLU B 10 93.097 -28.696 31.664 1.00 0.00 C ATOM 985 CD GLU B 10 93.632 -29.603 30.555 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.732 -29.139 29.432 1.00 0.00 O ATOM 987 OE2 GLU B 10 93.932 -30.749 30.849 1.00 0.00 O ATOM 0 H GLU B 10 92.700 -24.818 30.766 1.00 0.00 H new ATOM 0 HA GLU B 10 91.374 -26.706 32.438 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.427 -27.219 30.232 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.013 -26.891 30.900 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.749 -28.746 32.536 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.112 -29.036 31.983 1.00 0.00 H new ATOM 994 N GLU B 11 94.288 -25.664 33.560 1.00 0.00 N ATOM 995 CA GLU B 11 95.156 -25.679 34.779 1.00 0.00 C ATOM 996 C GLU B 11 94.765 -24.531 35.713 1.00 0.00 C ATOM 997 O GLU B 11 95.448 -24.247 36.677 1.00 0.00 O ATOM 998 CB GLU B 11 96.617 -25.500 34.361 1.00 0.00 C ATOM 999 CG GLU B 11 97.103 -26.756 33.633 1.00 0.00 C ATOM 1000 CD GLU B 11 98.550 -26.550 33.179 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.054 -25.453 33.356 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.128 -27.491 32.664 1.00 0.00 O ATOM 0 H GLU B 11 94.606 -25.046 32.813 1.00 0.00 H new ATOM 0 HA GLU B 11 95.027 -26.629 35.297 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.715 -24.630 33.711 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.236 -25.314 35.239 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.036 -27.621 34.293 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.466 -26.961 32.773 1.00 0.00 H new ATOM 1009 N CYS B 12 93.677 -23.867 35.438 1.00 0.00 N ATOM 1010 CA CYS B 12 93.252 -22.735 36.312 1.00 0.00 C ATOM 1011 C CYS B 12 93.331 -23.157 37.784 1.00 0.00 C ATOM 1012 O CYS B 12 93.750 -22.400 38.634 1.00 0.00 O ATOM 1013 CB CYS B 12 91.813 -22.347 35.968 1.00 0.00 C ATOM 1014 SG CYS B 12 91.300 -20.947 36.996 1.00 0.00 S ATOM 0 H CYS B 12 93.063 -24.058 34.646 1.00 0.00 H new ATOM 0 HA CYS B 12 93.912 -21.883 36.149 1.00 0.00 H new ATOM 0 HB2 CYS B 12 91.739 -22.083 34.913 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.148 -23.195 36.132 1.00 0.00 H new ATOM 1019 N GLU B 13 92.934 -24.363 38.087 1.00 0.00 N ATOM 1020 CA GLU B 13 92.986 -24.840 39.500 1.00 0.00 C ATOM 1021 C GLU B 13 94.429 -24.802 40.014 1.00 0.00 C ATOM 1022 O GLU B 13 94.683 -24.461 41.153 1.00 0.00 O ATOM 1023 CB GLU B 13 92.453 -26.273 39.575 1.00 0.00 C ATOM 1024 CG GLU B 13 90.945 -26.270 39.321 1.00 0.00 C ATOM 1025 CD GLU B 13 90.432 -27.711 39.266 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.252 -28.613 39.328 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.229 -27.888 39.161 1.00 0.00 O ATOM 0 H GLU B 13 92.575 -25.041 37.415 1.00 0.00 H new ATOM 0 HA GLU B 13 92.370 -24.188 40.120 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.956 -26.898 38.837 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.667 -26.701 40.554 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.434 -25.721 40.112 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.725 -25.759 38.384 1.00 0.00 H new ATOM 1034 N LYS B 14 95.372 -25.170 39.193 1.00 0.00 N ATOM 1035 CA LYS B 14 96.794 -25.179 39.643 1.00 0.00 C ATOM 1036 C LYS B 14 97.222 -23.771 40.066 1.00 0.00 C ATOM 1037 O LYS B 14 97.931 -23.599 41.037 1.00 0.00 O ATOM 1038 CB LYS B 14 97.694 -25.665 38.504 1.00 0.00 C ATOM 1039 CG LYS B 14 99.105 -25.908 39.044 1.00 0.00 C ATOM 1040 CD LYS B 14 100.012 -26.395 37.914 1.00 0.00 C ATOM 1041 CE LYS B 14 101.404 -26.699 38.473 1.00 0.00 C ATOM 1042 NZ LYS B 14 102.057 -25.431 38.902 1.00 0.00 N ATOM 0 H LYS B 14 95.221 -25.465 38.229 1.00 0.00 H new ATOM 0 HA LYS B 14 96.889 -25.852 40.495 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.293 -26.583 38.075 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.720 -24.924 37.705 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.504 -24.989 39.473 1.00 0.00 H new ATOM 0 HG3 LYS B 14 99.076 -26.647 39.845 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.590 -27.288 37.454 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.079 -25.636 37.134 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.326 -27.384 39.317 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.011 -27.195 37.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 103.075 -25.594 39.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.919 -24.705 38.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.634 -25.108 39.795 1.00 0.00 H new ATOM 1056 N TYR B 15 96.807 -22.759 39.349 1.00 0.00 N ATOM 1057 CA TYR B 15 97.209 -21.369 39.725 1.00 0.00 C ATOM 1058 C TYR B 15 96.251 -20.828 40.791 1.00 0.00 C ATOM 1059 O TYR B 15 96.589 -19.936 41.542 1.00 0.00 O ATOM 1060 CB TYR B 15 97.145 -20.465 38.492 1.00 0.00 C ATOM 1061 CG TYR B 15 98.114 -20.955 37.442 1.00 0.00 C ATOM 1062 CD1 TYR B 15 97.695 -21.885 36.483 1.00 0.00 C ATOM 1063 CD2 TYR B 15 99.430 -20.476 37.423 1.00 0.00 C ATOM 1064 CE1 TYR B 15 98.591 -22.335 35.506 1.00 0.00 C ATOM 1065 CE2 TYR B 15 100.326 -20.927 36.446 1.00 0.00 C ATOM 1066 CZ TYR B 15 99.906 -21.856 35.487 1.00 0.00 C ATOM 1067 OH TYR B 15 100.789 -22.298 34.524 1.00 0.00 O ATOM 0 H TYR B 15 96.211 -22.833 38.525 1.00 0.00 H new ATOM 0 HA TYR B 15 98.226 -21.384 40.118 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.132 -20.457 38.089 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.385 -19.439 38.770 1.00 0.00 H new ATOM 0 HD1 TYR B 15 96.681 -22.255 36.497 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.754 -19.758 38.162 1.00 0.00 H new ATOM 0 HE1 TYR B 15 98.267 -23.052 34.766 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.341 -20.558 36.432 1.00 0.00 H new ATOM 0 HH TYR B 15 101.434 -21.589 34.321 1.00 0.00 H new ATOM 1077 N HIS B 16 95.060 -21.362 40.858 1.00 0.00 N ATOM 1078 CA HIS B 16 94.072 -20.888 41.873 1.00 0.00 C ATOM 1079 C HIS B 16 93.842 -19.382 41.712 1.00 0.00 C ATOM 1080 O HIS B 16 93.534 -18.902 40.639 1.00 0.00 O ATOM 1081 CB HIS B 16 94.580 -21.187 43.289 1.00 0.00 C ATOM 1082 CG HIS B 16 94.771 -22.667 43.463 1.00 0.00 C ATOM 1083 ND1 HIS B 16 93.702 -23.539 43.617 1.00 0.00 N ATOM 1084 CD2 HIS B 16 95.902 -23.445 43.526 1.00 0.00 C ATOM 1085 CE1 HIS B 16 94.207 -24.778 43.766 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.540 -24.773 43.717 1.00 0.00 N ATOM 0 H HIS B 16 94.727 -22.110 40.250 1.00 0.00 H new ATOM 0 HA HIS B 16 93.130 -21.414 41.718 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.522 -20.667 43.464 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.869 -20.814 44.026 1.00 0.00 H new ATOM 0 HD2 HIS B 16 96.915 -23.081 43.440 1.00 0.00 H new ATOM 0 HE1 HIS B 16 93.608 -25.665 43.908 1.00 0.00 H new ATOM 0 HE2 HIS B 16 96.163 -25.576 43.802 1.00 0.00 H new ATOM 1095 N SER B 17 93.980 -18.632 42.776 1.00 0.00 N ATOM 1096 CA SER B 17 93.759 -17.156 42.698 1.00 0.00 C ATOM 1097 C SER B 17 95.061 -16.444 42.313 1.00 0.00 C ATOM 1098 O SER B 17 95.098 -15.236 42.189 1.00 0.00 O ATOM 1099 CB SER B 17 93.294 -16.643 44.061 1.00 0.00 C ATOM 1100 OG SER B 17 92.099 -17.317 44.437 1.00 0.00 O ATOM 0 H SER B 17 94.237 -18.980 43.699 1.00 0.00 H new ATOM 0 HA SER B 17 93.002 -16.951 41.941 1.00 0.00 H new ATOM 0 HB2 SER B 17 94.069 -16.810 44.809 1.00 0.00 H new ATOM 0 HB3 SER B 17 93.120 -15.568 44.017 1.00 0.00 H new ATOM 0 HG SER B 17 91.801 -16.990 45.311 1.00 0.00 H new ATOM 1106 N ASN B 18 96.129 -17.172 42.127 1.00 0.00 N ATOM 1107 CA ASN B 18 97.417 -16.513 41.758 1.00 0.00 C ATOM 1108 C ASN B 18 97.421 -16.193 40.265 1.00 0.00 C ATOM 1109 O ASN B 18 98.098 -16.833 39.485 1.00 0.00 O ATOM 1110 CB ASN B 18 98.587 -17.449 42.066 1.00 0.00 C ATOM 1111 CG ASN B 18 98.760 -17.585 43.577 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.319 -16.741 44.332 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.393 -18.622 44.052 1.00 0.00 N ATOM 0 H ASN B 18 96.167 -18.188 42.214 1.00 0.00 H new ATOM 0 HA ASN B 18 97.521 -15.594 42.335 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.407 -18.428 41.622 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.502 -17.060 41.620 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.519 -18.726 45.059 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.762 -19.329 43.416 1.00 0.00 H new ATOM 1120 N TRP B 19 96.676 -15.204 39.859 1.00 0.00 N ATOM 1121 CA TRP B 19 96.647 -14.845 38.417 1.00 0.00 C ATOM 1122 C TRP B 19 97.991 -14.224 38.014 1.00 0.00 C ATOM 1123 O TRP B 19 98.387 -14.273 36.866 1.00 0.00 O ATOM 1124 CB TRP B 19 95.511 -13.851 38.156 1.00 0.00 C ATOM 1125 CG TRP B 19 95.740 -12.597 38.934 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.195 -12.320 40.141 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.560 -11.448 38.580 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.625 -11.068 40.548 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.469 -10.492 39.618 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.363 -11.147 37.468 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.152 -9.277 39.553 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.053 -9.927 37.399 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.948 -8.993 38.439 1.00 0.00 C ATOM 0 H TRP B 19 96.087 -14.630 40.463 1.00 0.00 H new ATOM 0 HA TRP B 19 96.477 -15.743 37.823 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.454 -13.623 37.092 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.556 -14.295 38.439 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.533 -12.969 40.696 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.352 -10.626 41.426 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.450 -11.859 36.661 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.066 -8.561 40.357 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.669 -9.706 36.539 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.481 -8.056 38.380 1.00 0.00 H new ATOM 1144 N ARG B 20 98.697 -13.641 38.948 1.00 0.00 N ATOM 1145 CA ARG B 20 100.014 -13.021 38.611 1.00 0.00 C ATOM 1146 C ARG B 20 100.972 -14.079 38.064 1.00 0.00 C ATOM 1147 O ARG B 20 101.705 -13.839 37.125 1.00 0.00 O ATOM 1148 CB ARG B 20 100.628 -12.399 39.867 1.00 0.00 C ATOM 1149 CG ARG B 20 99.834 -11.157 40.270 1.00 0.00 C ATOM 1150 CD ARG B 20 100.457 -10.544 41.525 1.00 0.00 C ATOM 1151 NE ARG B 20 99.687 -9.334 41.922 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.844 -8.823 43.113 1.00 0.00 C ATOM 1153 NH1 ARG B 20 100.666 -9.382 43.959 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.180 -7.753 43.456 1.00 0.00 N ATOM 0 H ARG B 20 98.420 -13.567 39.927 1.00 0.00 H new ATOM 0 HA ARG B 20 99.853 -12.252 37.855 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.626 -13.124 40.681 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.668 -12.132 39.681 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.836 -10.431 39.457 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.794 -11.422 40.459 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.456 -11.271 42.337 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.497 -10.280 41.335 1.00 0.00 H new ATOM 0 HE ARG B 20 99.037 -8.904 41.264 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.185 -10.218 43.689 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.789 -8.983 44.890 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.539 -7.317 42.794 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.302 -7.353 44.386 1.00 0.00 H new ATOM 1168 N ALA B 21 100.974 -15.246 38.641 1.00 0.00 N ATOM 1169 CA ALA B 21 101.887 -16.314 38.149 1.00 0.00 C ATOM 1170 C ALA B 21 101.457 -16.722 36.741 1.00 0.00 C ATOM 1171 O ALA B 21 102.273 -16.976 35.877 1.00 0.00 O ATOM 1172 CB ALA B 21 101.816 -17.522 39.087 1.00 0.00 C ATOM 0 H ALA B 21 100.384 -15.507 39.431 1.00 0.00 H new ATOM 0 HA ALA B 21 102.912 -15.945 38.126 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.485 -18.303 38.726 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.118 -17.222 40.090 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.795 -17.902 39.114 1.00 0.00 H new ATOM 1178 N MET B 22 100.176 -16.786 36.505 1.00 0.00 N ATOM 1179 CA MET B 22 99.675 -17.174 35.158 1.00 0.00 C ATOM 1180 C MET B 22 100.185 -16.178 34.111 1.00 0.00 C ATOM 1181 O MET B 22 100.684 -16.558 33.072 1.00 0.00 O ATOM 1182 CB MET B 22 98.148 -17.146 35.173 1.00 0.00 C ATOM 1183 CG MET B 22 97.603 -17.761 33.882 1.00 0.00 C ATOM 1184 SD MET B 22 95.839 -17.385 33.734 1.00 0.00 S ATOM 1185 CE MET B 22 95.310 -18.090 35.313 1.00 0.00 C ATOM 0 H MET B 22 99.450 -16.585 37.193 1.00 0.00 H new ATOM 0 HA MET B 22 100.031 -18.174 34.909 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.774 -17.698 36.035 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.795 -16.120 35.274 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.144 -17.366 33.022 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.757 -18.840 33.887 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.274 -18.420 35.235 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.944 -18.941 35.562 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.392 -17.335 36.095 1.00 0.00 H new ATOM 1195 N ALA B 23 100.061 -14.905 34.375 1.00 0.00 N ATOM 1196 CA ALA B 23 100.534 -13.891 33.389 1.00 0.00 C ATOM 1197 C ALA B 23 102.030 -14.101 33.129 1.00 0.00 C ATOM 1198 O ALA B 23 102.499 -13.991 32.014 1.00 0.00 O ATOM 1199 CB ALA B 23 100.298 -12.488 33.965 1.00 0.00 C ATOM 0 H ALA B 23 99.654 -14.524 35.229 1.00 0.00 H new ATOM 0 HA ALA B 23 99.988 -13.996 32.452 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.641 -11.739 33.251 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.234 -12.347 34.156 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.851 -12.380 34.898 1.00 0.00 H new ATOM 1205 N SER B 24 102.779 -14.398 34.153 1.00 0.00 N ATOM 1206 CA SER B 24 104.244 -14.615 33.982 1.00 0.00 C ATOM 1207 C SER B 24 104.496 -15.839 33.096 1.00 0.00 C ATOM 1208 O SER B 24 105.397 -15.851 32.281 1.00 0.00 O ATOM 1209 CB SER B 24 104.886 -14.840 35.350 1.00 0.00 C ATOM 1210 OG SER B 24 104.819 -13.635 36.104 1.00 0.00 O ATOM 0 H SER B 24 102.438 -14.501 35.109 1.00 0.00 H new ATOM 0 HA SER B 24 104.681 -13.736 33.508 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.371 -15.642 35.879 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.924 -15.151 35.231 1.00 0.00 H new ATOM 0 HG SER B 24 103.923 -13.539 36.489 1.00 0.00 H new ATOM 1216 N ASP B 25 103.727 -16.877 33.267 1.00 0.00 N ATOM 1217 CA ASP B 25 103.943 -18.111 32.455 1.00 0.00 C ATOM 1218 C ASP B 25 103.556 -17.862 30.999 1.00 0.00 C ATOM 1219 O ASP B 25 104.261 -18.244 30.086 1.00 0.00 O ATOM 1220 CB ASP B 25 103.068 -19.231 33.013 1.00 0.00 C ATOM 1221 CG ASP B 25 103.480 -20.564 32.386 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.097 -20.536 31.334 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.176 -21.590 32.972 1.00 0.00 O ATOM 0 H ASP B 25 102.957 -16.926 33.934 1.00 0.00 H new ATOM 0 HA ASP B 25 104.996 -18.389 32.503 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.170 -19.280 34.097 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.019 -19.027 32.801 1.00 0.00 H new ATOM 1228 N PHE B 26 102.439 -17.231 30.771 1.00 0.00 N ATOM 1229 CA PHE B 26 102.003 -16.963 29.364 1.00 0.00 C ATOM 1230 C PHE B 26 102.484 -15.570 28.931 1.00 0.00 C ATOM 1231 O PHE B 26 102.258 -15.143 27.817 1.00 0.00 O ATOM 1232 CB PHE B 26 100.476 -17.043 29.271 1.00 0.00 C ATOM 1233 CG PHE B 26 100.027 -18.469 29.520 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.912 -19.367 28.450 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.727 -18.892 30.821 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.498 -20.685 28.683 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.313 -20.210 31.052 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.199 -21.106 29.984 1.00 0.00 C ATOM 0 H PHE B 26 101.807 -16.888 31.494 1.00 0.00 H new ATOM 0 HA PHE B 26 102.438 -17.712 28.702 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.021 -16.375 30.002 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.143 -16.713 28.287 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.143 -19.043 27.446 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.815 -18.201 31.647 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.410 -21.377 27.858 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.082 -20.535 32.056 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.880 -22.122 30.163 1.00 0.00 H new ATOM 1248 N ASN B 27 103.161 -14.870 29.803 1.00 0.00 N ATOM 1249 CA ASN B 27 103.682 -13.513 29.452 1.00 0.00 C ATOM 1250 C ASN B 27 102.555 -12.619 28.925 1.00 0.00 C ATOM 1251 O ASN B 27 102.697 -11.970 27.907 1.00 0.00 O ATOM 1252 CB ASN B 27 104.763 -13.644 28.377 1.00 0.00 C ATOM 1253 CG ASN B 27 105.909 -14.508 28.907 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.266 -14.403 30.158 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.482 -15.291 28.175 1.00 0.00 N flip ATOM 0 H ASN B 27 103.377 -15.181 30.750 1.00 0.00 H new ATOM 0 HA ASN B 27 104.100 -13.060 30.351 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.343 -14.092 27.476 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.135 -12.658 28.099 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.203 -15.373 27.197 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.242 -15.866 28.538 1.00 0.00 H new ATOM 1262 N LEU B 28 101.442 -12.576 29.615 1.00 0.00 N ATOM 1263 CA LEU B 28 100.288 -11.720 29.173 1.00 0.00 C ATOM 1264 C LEU B 28 99.965 -10.714 30.284 1.00 0.00 C ATOM 1265 O LEU B 28 100.210 -10.977 31.442 1.00 0.00 O ATOM 1266 CB LEU B 28 99.075 -12.625 28.938 1.00 0.00 C ATOM 1267 CG LEU B 28 99.292 -13.475 27.671 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.384 -14.708 27.708 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.960 -12.651 26.412 1.00 0.00 C ATOM 0 H LEU B 28 101.279 -13.101 30.474 1.00 0.00 H new ATOM 0 HA LEU B 28 100.537 -11.186 28.256 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.922 -13.274 29.800 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.175 -12.020 28.831 1.00 0.00 H new ATOM 0 HG LEU B 28 100.337 -13.785 27.639 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.543 -15.304 26.809 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.620 -15.307 28.587 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.342 -14.391 27.754 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.118 -13.264 25.524 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.919 -12.330 26.451 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.608 -11.776 26.369 1.00 0.00 H new ATOM 1281 N PRO B 29 99.419 -9.566 29.948 1.00 0.00 N ATOM 1282 CA PRO B 29 99.075 -8.529 30.965 1.00 0.00 C ATOM 1283 C PRO B 29 97.889 -8.968 31.848 1.00 0.00 C ATOM 1284 O PRO B 29 97.108 -9.813 31.459 1.00 0.00 O ATOM 1285 CB PRO B 29 98.716 -7.297 30.120 1.00 0.00 C ATOM 1286 CG PRO B 29 98.248 -7.854 28.816 1.00 0.00 C ATOM 1287 CD PRO B 29 99.071 -9.123 28.582 1.00 0.00 C ATOM 0 HA PRO B 29 99.892 -8.341 31.662 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.938 -6.702 30.598 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.579 -6.645 29.985 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.182 -8.080 28.848 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.398 -7.137 28.009 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.497 -9.881 28.048 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.961 -8.920 27.987 1.00 0.00 H new ATOM 1295 N PRO B 30 97.752 -8.403 33.024 1.00 0.00 N ATOM 1296 CA PRO B 30 96.639 -8.756 33.957 1.00 0.00 C ATOM 1297 C PRO B 30 95.281 -8.860 33.248 1.00 0.00 C ATOM 1298 O PRO B 30 94.355 -9.468 33.747 1.00 0.00 O ATOM 1299 CB PRO B 30 96.623 -7.592 34.960 1.00 0.00 C ATOM 1300 CG PRO B 30 98.019 -7.046 34.968 1.00 0.00 C ATOM 1301 CD PRO B 30 98.638 -7.370 33.599 1.00 0.00 C ATOM 0 HA PRO B 30 96.797 -9.733 34.414 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.905 -6.828 34.662 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.330 -7.934 35.953 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.011 -5.970 35.142 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.604 -7.495 35.771 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.680 -6.485 32.964 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.659 -7.737 33.703 1.00 0.00 H new ATOM 1309 N VAL B 31 95.151 -8.249 32.106 1.00 0.00 N ATOM 1310 CA VAL B 31 93.847 -8.285 31.388 1.00 0.00 C ATOM 1311 C VAL B 31 93.455 -9.734 31.063 1.00 0.00 C ATOM 1312 O VAL B 31 92.344 -10.153 31.319 1.00 0.00 O ATOM 1313 CB VAL B 31 93.972 -7.473 30.091 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.738 -7.687 29.202 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.092 -5.987 30.439 1.00 0.00 C ATOM 0 H VAL B 31 95.891 -7.726 31.638 1.00 0.00 H new ATOM 0 HA VAL B 31 93.072 -7.854 32.022 1.00 0.00 H new ATOM 0 HB VAL B 31 94.858 -7.805 29.549 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.843 -7.104 28.287 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.649 -8.744 28.951 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.844 -7.365 29.736 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.181 -5.405 29.522 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.205 -5.669 30.986 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.976 -5.828 31.057 1.00 0.00 H new ATOM 1325 N VAL B 32 94.339 -10.500 30.484 1.00 0.00 N ATOM 1326 CA VAL B 32 93.975 -11.906 30.136 1.00 0.00 C ATOM 1327 C VAL B 32 93.954 -12.794 31.383 1.00 0.00 C ATOM 1328 O VAL B 32 93.075 -13.617 31.545 1.00 0.00 O ATOM 1329 CB VAL B 32 94.977 -12.470 29.130 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.563 -13.893 28.747 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.985 -11.586 27.884 1.00 0.00 C ATOM 0 H VAL B 32 95.288 -10.219 30.238 1.00 0.00 H new ATOM 0 HA VAL B 32 92.977 -11.897 29.698 1.00 0.00 H new ATOM 0 HB VAL B 32 95.974 -12.490 29.571 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.276 -14.299 28.029 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.549 -14.520 29.638 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.569 -13.875 28.300 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.698 -11.982 27.161 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.989 -11.572 27.441 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.274 -10.572 28.159 1.00 0.00 H new ATOM 1341 N ALA B 33 94.911 -12.659 32.260 1.00 0.00 N ATOM 1342 CA ALA B 33 94.912 -13.527 33.471 1.00 0.00 C ATOM 1343 C ALA B 33 93.631 -13.287 34.269 1.00 0.00 C ATOM 1344 O ALA B 33 92.927 -14.212 34.624 1.00 0.00 O ATOM 1345 CB ALA B 33 96.137 -13.218 34.336 1.00 0.00 C ATOM 0 H ALA B 33 95.682 -11.995 32.193 1.00 0.00 H new ATOM 0 HA ALA B 33 94.955 -14.573 33.166 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.129 -13.857 35.219 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.044 -13.404 33.761 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.110 -12.173 34.644 1.00 0.00 H new ATOM 1351 N LYS B 34 93.314 -12.055 34.542 1.00 0.00 N ATOM 1352 CA LYS B 34 92.067 -11.762 35.301 1.00 0.00 C ATOM 1353 C LYS B 34 90.852 -12.286 34.534 1.00 0.00 C ATOM 1354 O LYS B 34 89.920 -12.809 35.111 1.00 0.00 O ATOM 1355 CB LYS B 34 91.922 -10.254 35.515 1.00 0.00 C ATOM 1356 CG LYS B 34 92.960 -9.780 36.534 1.00 0.00 C ATOM 1357 CD LYS B 34 92.810 -8.272 36.755 1.00 0.00 C ATOM 1358 CE LYS B 34 93.768 -7.821 37.859 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.766 -6.333 37.945 1.00 0.00 N ATOM 0 H LYS B 34 93.863 -11.238 34.273 1.00 0.00 H new ATOM 0 HA LYS B 34 92.124 -12.258 36.270 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.058 -9.727 34.570 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.917 -10.021 35.868 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.828 -10.311 37.477 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.965 -10.008 36.178 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.024 -7.735 35.831 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.783 -8.034 37.031 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.467 -8.251 38.814 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.775 -8.182 37.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.418 -6.028 38.696 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.073 -5.932 37.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.806 -5.999 38.163 1.00 0.00 H new ATOM 1373 N GLU B 35 90.845 -12.136 33.239 1.00 0.00 N ATOM 1374 CA GLU B 35 89.678 -12.611 32.442 1.00 0.00 C ATOM 1375 C GLU B 35 89.526 -14.123 32.587 1.00 0.00 C ATOM 1376 O GLU B 35 88.429 -14.635 32.698 1.00 0.00 O ATOM 1377 CB GLU B 35 89.887 -12.268 30.967 1.00 0.00 C ATOM 1378 CG GLU B 35 88.594 -12.537 30.181 1.00 0.00 C ATOM 1379 CD GLU B 35 88.453 -14.037 29.892 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.471 -14.701 29.781 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.329 -14.495 29.786 1.00 0.00 O ATOM 0 H GLU B 35 91.595 -11.706 32.698 1.00 0.00 H new ATOM 0 HA GLU B 35 88.777 -12.119 32.810 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.174 -11.222 30.865 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.703 -12.864 30.558 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.734 -12.186 30.751 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.606 -11.978 29.245 1.00 0.00 H new ATOM 1388 N ILE B 36 90.609 -14.848 32.588 1.00 0.00 N ATOM 1389 CA ILE B 36 90.496 -16.323 32.731 1.00 0.00 C ATOM 1390 C ILE B 36 89.822 -16.616 34.072 1.00 0.00 C ATOM 1391 O ILE B 36 88.960 -17.467 34.176 1.00 0.00 O ATOM 1392 CB ILE B 36 91.894 -16.943 32.666 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.430 -16.803 31.234 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.827 -18.426 33.044 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.932 -17.091 31.212 1.00 0.00 C ATOM 0 H ILE B 36 91.558 -14.486 32.497 1.00 0.00 H new ATOM 0 HA ILE B 36 89.899 -16.754 31.927 1.00 0.00 H new ATOM 0 HB ILE B 36 92.555 -16.430 33.365 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.908 -17.494 30.572 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.238 -15.797 30.861 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.826 -18.859 32.995 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.437 -18.526 34.057 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.170 -18.949 32.349 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.307 -16.990 30.193 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.448 -16.383 31.860 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.113 -18.106 31.567 1.00 0.00 H new ATOM 1407 N VAL B 37 90.172 -15.877 35.088 1.00 0.00 N ATOM 1408 CA VAL B 37 89.518 -16.064 36.413 1.00 0.00 C ATOM 1409 C VAL B 37 88.058 -15.628 36.284 1.00 0.00 C ATOM 1410 O VAL B 37 87.159 -16.243 36.821 1.00 0.00 O ATOM 1411 CB VAL B 37 90.229 -15.202 37.463 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.418 -15.188 38.766 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.620 -15.784 37.738 1.00 0.00 C ATOM 0 H VAL B 37 90.886 -15.149 35.057 1.00 0.00 H new ATOM 0 HA VAL B 37 89.574 -17.107 36.723 1.00 0.00 H new ATOM 0 HB VAL B 37 90.321 -14.183 37.088 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.930 -14.574 39.507 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.428 -14.775 38.574 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.320 -16.206 39.144 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.129 -15.174 38.484 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.521 -16.804 38.110 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.201 -15.789 36.816 1.00 0.00 H new ATOM 1423 N ALA B 38 87.826 -14.562 35.566 1.00 0.00 N ATOM 1424 CA ALA B 38 86.434 -14.061 35.384 1.00 0.00 C ATOM 1425 C ALA B 38 85.561 -15.169 34.793 1.00 0.00 C ATOM 1426 O ALA B 38 84.350 -15.133 34.893 1.00 0.00 O ATOM 1427 CB ALA B 38 86.442 -12.867 34.428 1.00 0.00 C ATOM 0 H ALA B 38 88.546 -14.014 35.095 1.00 0.00 H new ATOM 0 HA ALA B 38 86.034 -13.757 36.351 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.424 -12.501 34.295 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.062 -12.073 34.843 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.845 -13.176 33.464 1.00 0.00 H new ATOM 1433 N SER B 39 86.159 -16.154 34.177 1.00 0.00 N ATOM 1434 CA SER B 39 85.351 -17.258 33.581 1.00 0.00 C ATOM 1435 C SER B 39 85.117 -18.334 34.639 1.00 0.00 C ATOM 1436 O SER B 39 84.013 -18.805 34.825 1.00 0.00 O ATOM 1437 CB SER B 39 86.111 -17.861 32.399 1.00 0.00 C ATOM 1438 OG SER B 39 86.131 -16.928 31.328 1.00 0.00 O ATOM 0 H SER B 39 87.169 -16.242 34.061 1.00 0.00 H new ATOM 0 HA SER B 39 84.393 -16.869 33.236 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.129 -18.112 32.697 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.634 -18.788 32.080 1.00 0.00 H new ATOM 0 HG SER B 39 86.619 -17.311 30.569 1.00 0.00 H new ATOM 1444 N CYS B 40 86.142 -18.714 35.343 1.00 0.00 N ATOM 1445 CA CYS B 40 85.969 -19.748 36.400 1.00 0.00 C ATOM 1446 C CYS B 40 84.962 -19.232 37.431 1.00 0.00 C ATOM 1447 O CYS B 40 85.093 -18.138 37.943 1.00 0.00 O ATOM 1448 CB CYS B 40 87.316 -20.014 37.077 1.00 0.00 C ATOM 1449 SG CYS B 40 87.238 -21.573 37.993 1.00 0.00 S ATOM 0 H CYS B 40 87.091 -18.356 35.234 1.00 0.00 H new ATOM 0 HA CYS B 40 85.603 -20.676 35.961 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.108 -20.059 36.329 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.563 -19.195 37.753 1.00 0.00 H new ATOM 1454 N ASP B 41 83.957 -20.003 37.737 1.00 0.00 N ATOM 1455 CA ASP B 41 82.945 -19.543 38.729 1.00 0.00 C ATOM 1456 C ASP B 41 83.497 -19.711 40.148 1.00 0.00 C ATOM 1457 O ASP B 41 83.062 -19.055 41.074 1.00 0.00 O ATOM 1458 CB ASP B 41 81.669 -20.374 38.572 1.00 0.00 C ATOM 1459 CG ASP B 41 80.982 -20.008 37.255 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.315 -18.971 36.705 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.131 -20.768 36.821 1.00 0.00 O ATOM 0 H ASP B 41 83.792 -20.930 37.344 1.00 0.00 H new ATOM 0 HA ASP B 41 82.719 -18.491 38.556 1.00 0.00 H new ATOM 0 HB2 ASP B 41 81.910 -21.437 38.586 1.00 0.00 H new ATOM 0 HB3 ASP B 41 80.996 -20.189 39.409 1.00 0.00 H new ATOM 1466 N LYS B 42 84.444 -20.590 40.329 1.00 0.00 N ATOM 1467 CA LYS B 42 85.015 -20.805 41.692 1.00 0.00 C ATOM 1468 C LYS B 42 86.007 -19.694 42.056 1.00 0.00 C ATOM 1469 O LYS B 42 85.951 -19.132 43.132 1.00 0.00 O ATOM 1470 CB LYS B 42 85.744 -22.152 41.724 1.00 0.00 C ATOM 1471 CG LYS B 42 84.731 -23.297 41.648 1.00 0.00 C ATOM 1472 CD LYS B 42 85.477 -24.632 41.682 1.00 0.00 C ATOM 1473 CE LYS B 42 84.474 -25.785 41.607 1.00 0.00 C ATOM 1474 NZ LYS B 42 85.207 -27.069 41.414 1.00 0.00 N ATOM 0 H LYS B 42 84.848 -21.169 39.593 1.00 0.00 H new ATOM 0 HA LYS B 42 84.198 -20.793 42.414 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.442 -22.217 40.889 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.332 -22.235 42.638 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.032 -23.236 42.482 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.143 -23.218 40.733 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.176 -24.690 40.848 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.065 -24.708 42.597 1.00 0.00 H new ATOM 0 HE2 LYS B 42 83.882 -25.826 42.521 1.00 0.00 H new ATOM 0 HE3 LYS B 42 83.779 -25.623 40.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.526 -27.853 41.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.754 -27.027 40.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.853 -27.223 42.214 1.00 0.00 H new ATOM 1488 N CYS B 43 86.932 -19.394 41.184 1.00 0.00 N ATOM 1489 CA CYS B 43 87.945 -18.344 41.500 1.00 0.00 C ATOM 1490 C CYS B 43 87.354 -16.939 41.349 1.00 0.00 C ATOM 1491 O CYS B 43 87.829 -15.997 41.950 1.00 0.00 O ATOM 1492 CB CYS B 43 89.142 -18.496 40.557 1.00 0.00 C ATOM 1493 SG CYS B 43 89.929 -20.103 40.840 1.00 0.00 S ATOM 0 H CYS B 43 87.030 -19.830 40.267 1.00 0.00 H new ATOM 0 HA CYS B 43 88.261 -18.472 42.535 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.815 -18.416 39.520 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.858 -17.692 40.728 1.00 0.00 H new ATOM 1498 N GLN B 44 86.340 -16.776 40.544 1.00 0.00 N ATOM 1499 CA GLN B 44 85.763 -15.412 40.362 1.00 0.00 C ATOM 1500 C GLN B 44 85.053 -14.963 41.641 1.00 0.00 C ATOM 1501 O GLN B 44 85.165 -13.825 42.053 1.00 0.00 O ATOM 1502 CB GLN B 44 84.760 -15.431 39.206 1.00 0.00 C ATOM 1503 CG GLN B 44 84.224 -14.015 38.966 1.00 0.00 C ATOM 1504 CD GLN B 44 83.229 -14.030 37.804 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.436 -14.942 37.677 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.236 -13.047 36.946 1.00 0.00 N ATOM 0 H GLN B 44 85.889 -17.519 40.009 1.00 0.00 H new ATOM 0 HA GLN B 44 86.570 -14.714 40.139 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.239 -15.807 38.302 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.937 -16.108 39.436 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.739 -13.642 39.868 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.048 -13.337 38.743 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.902 -12.282 37.053 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.576 -13.044 36.169 1.00 0.00 H new ATOM 1515 N LEU B 45 84.318 -15.838 42.270 1.00 0.00 N ATOM 1516 CA LEU B 45 83.596 -15.448 43.518 1.00 0.00 C ATOM 1517 C LEU B 45 84.518 -15.649 44.722 1.00 0.00 C ATOM 1518 O LEU B 45 85.263 -16.605 44.792 1.00 0.00 O ATOM 1519 CB LEU B 45 82.353 -16.326 43.686 1.00 0.00 C ATOM 1520 CG LEU B 45 81.420 -16.161 42.477 1.00 0.00 C ATOM 1521 CD1 LEU B 45 80.314 -17.217 42.553 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.786 -14.760 42.471 1.00 0.00 C ATOM 0 H LEU B 45 84.185 -16.806 41.976 1.00 0.00 H new ATOM 0 HA LEU B 45 83.299 -14.401 43.452 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.648 -17.371 43.787 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.827 -16.053 44.601 1.00 0.00 H new ATOM 0 HG LEU B 45 81.999 -16.286 41.562 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.647 -17.107 41.698 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.759 -18.212 42.540 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.748 -17.085 43.475 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.128 -14.662 41.607 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.209 -14.618 43.385 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.571 -14.006 42.417 1.00 0.00 H new ATOM 1534 N LYS B 46 84.468 -14.761 45.678 1.00 0.00 N ATOM 1535 CA LYS B 46 85.338 -14.911 46.879 1.00 0.00 C ATOM 1536 C LYS B 46 84.703 -15.925 47.830 1.00 0.00 C ATOM 1537 O LYS B 46 85.198 -17.022 48.002 1.00 0.00 O ATOM 1538 CB LYS B 46 85.475 -13.564 47.591 1.00 0.00 C ATOM 1539 CG LYS B 46 86.265 -12.596 46.710 1.00 0.00 C ATOM 1540 CD LYS B 46 86.400 -11.251 47.426 1.00 0.00 C ATOM 1541 CE LYS B 46 87.188 -10.278 46.549 1.00 0.00 C ATOM 1542 NZ LYS B 46 88.482 -10.901 46.153 1.00 0.00 N ATOM 0 H LYS B 46 83.863 -13.940 45.679 1.00 0.00 H new ATOM 0 HA LYS B 46 86.326 -15.256 46.573 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.489 -13.153 47.806 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.981 -13.697 48.547 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.252 -13.006 46.494 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.759 -12.462 45.754 1.00 0.00 H new ATOM 0 HD2 LYS B 46 85.413 -10.843 47.643 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.906 -11.386 48.382 1.00 0.00 H new ATOM 0 HE2 LYS B 46 86.609 -10.021 45.662 1.00 0.00 H new ATOM 0 HE3 LYS B 46 87.370 -9.350 47.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.208 -10.162 46.057 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.776 -11.583 46.881 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.366 -11.393 45.244 1.00 0.00 H new ATOM 1556 N GLY B 47 83.604 -15.563 48.444 1.00 0.00 N ATOM 1557 CA GLY B 47 82.906 -16.493 49.390 1.00 0.00 C ATOM 1558 C GLY B 47 82.765 -15.830 50.762 1.00 0.00 C ATOM 1559 O GLY B 47 83.526 -16.098 51.671 1.00 0.00 O ATOM 0 H GLY B 47 83.155 -14.654 48.330 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.922 -16.753 48.999 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.468 -17.422 49.481 1.00 0.00 H new ATOM 1563 N GLU B 48 81.786 -14.977 50.924 1.00 0.00 N ATOM 1564 CA GLU B 48 81.578 -14.302 52.243 1.00 0.00 C ATOM 1565 C GLU B 48 80.078 -14.100 52.459 1.00 0.00 C ATOM 1566 O GLU B 48 79.648 -13.550 53.453 1.00 0.00 O ATOM 1567 CB GLU B 48 82.270 -12.934 52.248 1.00 0.00 C ATOM 1568 CG GLU B 48 83.782 -13.113 52.095 1.00 0.00 C ATOM 1569 CD GLU B 48 84.468 -11.753 52.232 1.00 0.00 C ATOM 1570 OE1 GLU B 48 83.797 -10.809 52.617 1.00 0.00 O ATOM 1571 OE2 GLU B 48 85.655 -11.678 51.954 1.00 0.00 O ATOM 0 H GLU B 48 81.119 -14.717 50.198 1.00 0.00 H new ATOM 0 HA GLU B 48 81.999 -14.919 53.037 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.884 -12.319 51.435 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.050 -12.409 53.177 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.157 -13.800 52.853 1.00 0.00 H new ATOM 0 HG3 GLU B 48 84.011 -13.553 51.124 1.00 0.00 H new ATOM 1578 N ALA B 49 79.278 -14.542 51.527 1.00 0.00 N ATOM 1579 CA ALA B 49 77.803 -14.381 51.660 1.00 0.00 C ATOM 1580 C ALA B 49 77.249 -15.404 52.656 1.00 0.00 C ATOM 1581 O ALA B 49 77.879 -16.396 52.958 1.00 0.00 O ATOM 1582 CB ALA B 49 77.144 -14.598 50.296 1.00 0.00 C ATOM 0 H ALA B 49 79.585 -15.010 50.675 1.00 0.00 H new ATOM 0 HA ALA B 49 77.586 -13.376 52.022 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.064 -14.481 50.391 1.00 0.00 H new ATOM 0 HB2 ALA B 49 77.528 -13.865 49.586 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.370 -15.603 49.939 1.00 0.00 H new ATOM 1588 N MET B 50 76.068 -15.160 53.164 1.00 0.00 N ATOM 1589 CA MET B 50 75.438 -16.101 54.138 1.00 0.00 C ATOM 1590 C MET B 50 76.067 -15.915 55.523 1.00 0.00 C ATOM 1591 O MET B 50 75.503 -16.308 56.526 1.00 0.00 O ATOM 1592 CB MET B 50 75.629 -17.558 53.663 1.00 0.00 C ATOM 1593 CG MET B 50 74.468 -18.432 54.157 1.00 0.00 C ATOM 1594 SD MET B 50 73.043 -18.211 53.065 1.00 0.00 S ATOM 1595 CE MET B 50 72.212 -19.768 53.459 1.00 0.00 C ATOM 0 H MET B 50 75.507 -14.338 52.942 1.00 0.00 H new ATOM 0 HA MET B 50 74.371 -15.887 54.200 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.680 -17.590 52.575 1.00 0.00 H new ATOM 0 HB3 MET B 50 76.574 -17.950 54.038 1.00 0.00 H new ATOM 0 HG2 MET B 50 74.768 -19.480 54.174 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.203 -18.160 55.179 1.00 0.00 H new ATOM 0 HE1 MET B 50 71.289 -19.843 52.885 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.865 -20.603 53.206 1.00 0.00 H new ATOM 0 HE3 MET B 50 71.981 -19.798 54.524 1.00 0.00 H new ATOM 1605 N HIS B 51 77.224 -15.317 55.590 1.00 0.00 N ATOM 1606 CA HIS B 51 77.877 -15.107 56.915 1.00 0.00 C ATOM 1607 C HIS B 51 78.804 -13.894 56.842 1.00 0.00 C ATOM 1608 O HIS B 51 79.211 -13.472 55.778 1.00 0.00 O ATOM 1609 CB HIS B 51 78.683 -16.351 57.295 1.00 0.00 C ATOM 1610 CG HIS B 51 79.813 -16.543 56.321 1.00 0.00 C ATOM 1611 ND1 HIS B 51 79.686 -17.329 55.183 1.00 0.00 N ATOM 1612 CD2 HIS B 51 81.099 -16.062 56.303 1.00 0.00 C ATOM 1613 CE1 HIS B 51 80.865 -17.299 54.536 1.00 0.00 C ATOM 1614 NE2 HIS B 51 81.758 -16.542 55.176 1.00 0.00 N ATOM 0 H HIS B 51 77.746 -14.965 54.787 1.00 0.00 H new ATOM 0 HA HIS B 51 77.112 -14.931 57.671 1.00 0.00 H new ATOM 0 HB2 HIS B 51 79.076 -16.246 58.306 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.037 -17.229 57.294 1.00 0.00 H new ATOM 0 HD2 HIS B 51 81.532 -15.412 57.049 1.00 0.00 H new ATOM 0 HE1 HIS B 51 81.064 -17.823 53.613 1.00 0.00 H new ATOM 0 HE2 HIS B 51 82.721 -16.355 54.897 1.00 0.00 H new ATOM 1623 N GLY B 52 79.143 -13.331 57.972 1.00 0.00 N ATOM 1624 CA GLY B 52 80.045 -12.140 57.988 1.00 0.00 C ATOM 1625 C GLY B 52 79.552 -11.156 59.049 1.00 0.00 C ATOM 1626 O GLY B 52 79.332 -9.994 58.776 1.00 0.00 O ATOM 0 H GLY B 52 78.832 -13.647 58.891 1.00 0.00 H new ATOM 0 HA2 GLY B 52 81.068 -12.446 58.205 1.00 0.00 H new ATOM 0 HA3 GLY B 52 80.056 -11.663 57.008 1.00 0.00 H new ATOM 1630 N GLN B 53 79.376 -11.613 60.259 1.00 0.00 N ATOM 1631 CA GLN B 53 78.894 -10.700 61.334 1.00 0.00 C ATOM 1632 C GLN B 53 80.069 -9.870 61.847 1.00 0.00 C ATOM 1633 O GLN B 53 81.198 -10.321 61.869 1.00 0.00 O ATOM 1634 CB GLN B 53 78.306 -11.523 62.483 1.00 0.00 C ATOM 1635 CG GLN B 53 77.810 -10.582 63.587 1.00 0.00 C ATOM 1636 CD GLN B 53 77.118 -11.395 64.682 1.00 0.00 C ATOM 1637 OE1 GLN B 53 76.868 -12.573 64.517 1.00 0.00 O ATOM 1638 NE2 GLN B 53 76.788 -10.809 65.801 1.00 0.00 N ATOM 0 H GLN B 53 79.545 -12.576 60.549 1.00 0.00 H new ATOM 0 HA GLN B 53 78.123 -10.040 60.937 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.483 -12.139 62.119 1.00 0.00 H new ATOM 0 HB3 GLN B 53 79.060 -12.202 62.881 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.647 -10.025 64.008 1.00 0.00 H new ATOM 0 HG3 GLN B 53 77.118 -9.850 63.171 1.00 0.00 H new ATOM 0 HE21 GLN B 53 76.998 -9.820 65.940 1.00 0.00 H new ATOM 0 HE22 GLN B 53 76.321 -11.340 66.536 1.00 0.00 H new ATOM 1647 N VAL B 54 79.818 -8.658 62.265 1.00 0.00 N ATOM 1648 CA VAL B 54 80.922 -7.797 62.782 1.00 0.00 C ATOM 1649 C VAL B 54 80.983 -7.923 64.305 1.00 0.00 C ATOM 1650 O VAL B 54 80.036 -7.615 65.003 1.00 0.00 O ATOM 1651 CB VAL B 54 80.644 -6.341 62.401 1.00 0.00 C ATOM 1652 CG1 VAL B 54 81.725 -5.438 62.998 1.00 0.00 C ATOM 1653 CG2 VAL B 54 80.654 -6.206 60.875 1.00 0.00 C ATOM 0 H VAL B 54 78.894 -8.226 62.271 1.00 0.00 H new ATOM 0 HA VAL B 54 81.872 -8.112 62.350 1.00 0.00 H new ATOM 0 HB VAL B 54 79.670 -6.044 62.790 1.00 0.00 H new ATOM 0 HG11 VAL B 54 81.525 -4.402 62.725 1.00 0.00 H new ATOM 0 HG12 VAL B 54 81.721 -5.535 64.084 1.00 0.00 H new ATOM 0 HG13 VAL B 54 82.700 -5.733 62.611 1.00 0.00 H new ATOM 0 HG21 VAL B 54 80.456 -5.170 60.600 1.00 0.00 H new ATOM 0 HG22 VAL B 54 81.629 -6.504 60.490 1.00 0.00 H new ATOM 0 HG23 VAL B 54 79.884 -6.848 60.448 1.00 0.00 H new ATOM 1663 N ASP B 55 82.089 -8.381 64.827 1.00 0.00 N ATOM 1664 CA ASP B 55 82.217 -8.534 66.306 1.00 0.00 C ATOM 1665 C ASP B 55 83.684 -8.364 66.710 1.00 0.00 C ATOM 1666 O ASP B 55 84.491 -8.095 65.834 1.00 0.00 O ATOM 1667 CB ASP B 55 81.725 -9.926 66.717 1.00 0.00 C ATOM 1668 CG ASP B 55 82.694 -10.994 66.202 1.00 0.00 C ATOM 1669 OD1 ASP B 55 83.522 -10.665 65.368 1.00 0.00 O ATOM 1670 OD2 ASP B 55 82.593 -12.123 66.654 1.00 0.00 O ATOM 1671 OXT ASP B 55 83.976 -8.506 67.886 1.00 0.00 O ATOM 0 H ASP B 55 82.912 -8.657 64.291 1.00 0.00 H new ATOM 0 HA ASP B 55 81.615 -7.776 66.807 1.00 0.00 H new ATOM 0 HB2 ASP B 55 81.646 -9.987 67.802 1.00 0.00 H new ATOM 0 HB3 ASP B 55 80.728 -10.103 66.314 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.753 -1.662 36.297 1.00 0.00 CD HETATM 1678 CD CD B 56 89.671 -21.766 38.850 1.00 0.00 CD