USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 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= -3.55! X(o=-5.2!,f=-5.2) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.68 X(o=-5.2,f=-5.2) USER MOD Single : A 1 PHE N :NH3+ 144:sc= 1.11 (180deg=0.291) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0164 (180deg=-0.339) USER MOD Single : A 9 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -29:sc= 0.684 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -1.12 F(o=-1.8,f=-1.1) USER MOD Single : A 17 SER OG : rot -40:sc= 0.264 USER MOD Single : A 18 ASN : amide:sc= -0.0456 K(o=-0.046,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 152:sc= -0.229 (180deg=-1.46!) USER MOD Single : A 24 SER OG : rot 76:sc= 0.564 USER MOD Single : A 27 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 68:sc= 0.0216 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.11) USER MOD Single : A 50 MET CE :methyl -114:sc= 0 (180deg=-0.196) USER MOD Single : A 51 HIS : no HE2:sc= 0.0738 K(o=0.074,f=-1.1) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 1 PHE N :NH3+ 140:sc= 1.2 (180deg=0.264) USER MOD Single : B 7 LYS NZ :NH3+ 162:sc= -0.0311 (180deg=-0.335) USER MOD Single : B 9 GLN : amide:sc= -0.0493 K(o=-0.049,f=-1.8!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -30:sc= 0.698 USER MOD Single : B 16 HIS :FLIP no HD1:sc= -1.21 F(o=-1.8,f=-1.2) USER MOD Single : B 17 SER OG : rot -41:sc= 0.255 USER MOD Single : B 18 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.7!) USER MOD Single : B 22 MET CE :methyl 155:sc= -0.27 (180deg=-1.54!) USER MOD Single : B 24 SER OG : rot 78:sc= 0.572 USER MOD Single : B 27 ASN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 68:sc= 0.0262 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0875) USER MOD Single : B 50 MET CE :methyl -112:sc=-0.00153 (180deg=-0.199) USER MOD Single : B 51 HIS : no HE2:sc= 0.0696 K(o=0.07,f=-1.1) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.584 -4.611 23.738 1.00 0.00 N ATOM 2 CA PHE A 1 94.864 -3.859 24.994 1.00 0.00 C ATOM 3 C PHE A 1 95.024 -2.378 24.668 1.00 0.00 C ATOM 4 O PHE A 1 96.077 -1.930 24.259 1.00 0.00 O ATOM 5 CB PHE A 1 96.147 -4.392 25.623 1.00 0.00 C ATOM 6 CG PHE A 1 96.066 -5.900 25.707 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.325 -6.505 26.730 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.726 -6.695 24.758 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.244 -7.901 26.804 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.643 -8.093 24.835 1.00 0.00 C ATOM 11 CZ PHE A 1 95.902 -8.693 25.858 1.00 0.00 C ATOM 0 H1 PHE A 1 95.048 -5.541 23.779 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.558 -4.741 23.633 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.951 -4.077 22.924 1.00 0.00 H new ATOM 0 HA PHE A 1 94.039 -3.987 25.695 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.010 -4.094 25.027 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.284 -3.967 26.617 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.816 -5.895 27.462 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.298 -6.231 23.968 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.672 -8.367 27.593 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.151 -8.706 24.105 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.838 -9.769 25.917 1.00 0.00 H new ATOM 23 N LEU A 2 93.972 -1.620 24.840 1.00 0.00 N ATOM 24 CA LEU A 2 94.018 -0.154 24.536 1.00 0.00 C ATOM 25 C LEU A 2 93.836 0.660 25.810 1.00 0.00 C ATOM 26 O LEU A 2 93.064 0.319 26.676 1.00 0.00 O ATOM 27 CB LEU A 2 92.901 0.196 23.547 1.00 0.00 C ATOM 28 CG LEU A 2 93.081 -0.593 22.242 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.834 -0.411 21.372 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.313 -0.086 21.474 1.00 0.00 C ATOM 0 H LEU A 2 93.072 -1.956 25.182 1.00 0.00 H new ATOM 0 HA LEU A 2 94.989 0.084 24.101 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.931 -0.032 23.988 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.912 1.266 23.338 1.00 0.00 H new ATOM 0 HG LEU A 2 93.224 -1.647 22.480 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.954 -0.968 20.443 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.960 -0.782 21.907 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.699 0.647 21.146 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.427 -0.656 20.552 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.184 0.970 21.235 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.203 -0.212 22.090 1.00 0.00 H new ATOM 42 N ASP A 3 94.533 1.755 25.916 1.00 0.00 N ATOM 43 CA ASP A 3 94.393 2.613 27.121 1.00 0.00 C ATOM 44 C ASP A 3 92.939 3.071 27.220 1.00 0.00 C ATOM 45 O ASP A 3 92.367 3.127 28.291 1.00 0.00 O ATOM 46 CB ASP A 3 95.318 3.827 27.003 1.00 0.00 C ATOM 47 CG ASP A 3 96.769 3.378 27.184 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.979 2.355 27.814 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.648 4.065 26.688 1.00 0.00 O ATOM 0 H ASP A 3 95.195 2.093 25.218 1.00 0.00 H new ATOM 0 HA ASP A 3 94.668 2.053 28.015 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.191 4.302 26.030 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.059 4.570 27.757 1.00 0.00 H new ATOM 54 N GLY A 4 92.330 3.384 26.109 1.00 0.00 N ATOM 55 CA GLY A 4 90.905 3.821 26.135 1.00 0.00 C ATOM 56 C GLY A 4 90.094 2.830 26.977 1.00 0.00 C ATOM 57 O GLY A 4 88.973 3.096 27.362 1.00 0.00 O ATOM 0 H GLY A 4 92.758 3.356 25.184 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.826 4.824 26.555 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.507 3.868 25.121 1.00 0.00 H new ATOM 61 N ILE A 5 90.667 1.695 27.283 1.00 0.00 N ATOM 62 CA ILE A 5 89.948 0.696 28.120 1.00 0.00 C ATOM 63 C ILE A 5 89.626 1.336 29.472 1.00 0.00 C ATOM 64 O ILE A 5 88.583 1.104 30.049 1.00 0.00 O ATOM 65 CB ILE A 5 90.825 -0.555 28.304 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.826 -1.367 27.006 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.280 -1.420 29.450 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.922 -2.433 27.075 1.00 0.00 C ATOM 0 H ILE A 5 91.603 1.419 26.988 1.00 0.00 H new ATOM 0 HA ILE A 5 89.021 0.392 27.635 1.00 0.00 H new ATOM 0 HB ILE A 5 91.842 -0.246 28.547 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.854 -1.838 26.858 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.995 -0.710 26.153 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.909 -2.302 29.571 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.283 -0.843 30.375 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.261 -1.730 29.219 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.925 -3.012 26.152 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.891 -1.951 27.203 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.732 -3.096 27.919 1.00 0.00 H new ATOM 80 N ASP A 6 90.510 2.153 29.973 1.00 0.00 N ATOM 81 CA ASP A 6 90.252 2.821 31.279 1.00 0.00 C ATOM 82 C ASP A 6 88.980 3.661 31.149 1.00 0.00 C ATOM 83 O ASP A 6 88.156 3.708 32.042 1.00 0.00 O ATOM 84 CB ASP A 6 91.435 3.727 31.632 1.00 0.00 C ATOM 85 CG ASP A 6 92.652 2.867 31.977 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.461 1.802 32.542 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.756 3.289 31.675 1.00 0.00 O ATOM 0 H ASP A 6 91.401 2.387 29.534 1.00 0.00 H new ATOM 0 HA ASP A 6 90.129 2.076 32.066 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.667 4.384 30.793 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.177 4.367 32.476 1.00 0.00 H new ATOM 92 N LYS A 7 88.813 4.314 30.033 1.00 0.00 N ATOM 93 CA LYS A 7 87.594 5.143 29.817 1.00 0.00 C ATOM 94 C LYS A 7 86.366 4.232 29.836 1.00 0.00 C ATOM 95 O LYS A 7 85.329 4.575 30.369 1.00 0.00 O ATOM 96 CB LYS A 7 87.690 5.848 28.459 1.00 0.00 C ATOM 97 CG LYS A 7 86.485 6.774 28.267 1.00 0.00 C ATOM 98 CD LYS A 7 86.590 7.472 26.909 1.00 0.00 C ATOM 99 CE LYS A 7 85.389 8.401 26.708 1.00 0.00 C ATOM 100 NZ LYS A 7 85.457 9.524 27.687 1.00 0.00 N ATOM 0 H LYS A 7 89.473 4.309 29.256 1.00 0.00 H new ATOM 0 HA LYS A 7 87.510 5.892 30.605 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.614 6.423 28.402 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.724 5.110 27.658 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.560 6.201 28.323 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.450 7.514 29.067 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.516 8.044 26.854 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.625 6.731 26.111 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.385 8.792 25.690 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.460 7.846 26.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.829 10.293 27.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.156 9.187 28.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.434 9.877 27.743 1.00 0.00 H new ATOM 114 N ALA A 8 86.479 3.072 29.248 1.00 0.00 N ATOM 115 CA ALA A 8 85.326 2.128 29.216 1.00 0.00 C ATOM 116 C ALA A 8 84.906 1.768 30.644 1.00 0.00 C ATOM 117 O ALA A 8 83.736 1.611 30.930 1.00 0.00 O ATOM 118 CB ALA A 8 85.734 0.857 28.470 1.00 0.00 C ATOM 0 H ALA A 8 87.324 2.736 28.786 1.00 0.00 H new ATOM 0 HA ALA A 8 84.487 2.602 28.706 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.893 0.164 28.445 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.026 1.111 27.451 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.575 0.389 28.982 1.00 0.00 H new ATOM 124 N GLN A 9 85.842 1.634 31.545 1.00 0.00 N ATOM 125 CA GLN A 9 85.467 1.282 32.944 1.00 0.00 C ATOM 126 C GLN A 9 84.548 2.373 33.496 1.00 0.00 C ATOM 127 O GLN A 9 83.571 2.102 34.163 1.00 0.00 O ATOM 128 CB GLN A 9 86.728 1.206 33.810 1.00 0.00 C ATOM 129 CG GLN A 9 87.556 -0.019 33.414 1.00 0.00 C ATOM 130 CD GLN A 9 88.913 0.035 34.119 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.357 1.089 34.526 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.593 -1.067 34.284 1.00 0.00 N ATOM 0 H GLN A 9 86.841 1.752 31.375 1.00 0.00 H new ATOM 0 HA GLN A 9 84.959 0.318 32.957 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.321 2.112 33.686 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.454 1.146 34.863 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.028 -0.932 33.687 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.696 -0.043 32.333 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.220 -1.953 33.942 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.497 -1.043 34.755 1.00 0.00 H new ATOM 141 N GLU A 10 84.854 3.606 33.209 1.00 0.00 N ATOM 142 CA GLU A 10 84.003 4.725 33.696 1.00 0.00 C ATOM 143 C GLU A 10 82.602 4.620 33.087 1.00 0.00 C ATOM 144 O GLU A 10 81.615 4.932 33.723 1.00 0.00 O ATOM 145 CB GLU A 10 84.643 6.058 33.304 1.00 0.00 C ATOM 146 CG GLU A 10 85.915 6.269 34.128 1.00 0.00 C ATOM 147 CD GLU A 10 86.563 7.600 33.743 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.130 8.186 32.764 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.482 8.011 34.433 1.00 0.00 O ATOM 0 H GLU A 10 85.662 3.888 32.654 1.00 0.00 H new ATOM 0 HA GLU A 10 83.920 4.669 34.781 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.880 6.062 32.240 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.943 6.876 33.478 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.676 6.264 35.191 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.613 5.450 33.954 1.00 0.00 H new ATOM 156 N GLU A 11 82.507 4.205 31.851 1.00 0.00 N ATOM 157 CA GLU A 11 81.171 4.102 31.185 1.00 0.00 C ATOM 158 C GLU A 11 80.592 2.692 31.346 1.00 0.00 C ATOM 159 O GLU A 11 79.520 2.399 30.855 1.00 0.00 O ATOM 160 CB GLU A 11 81.320 4.408 29.691 1.00 0.00 C ATOM 161 CG GLU A 11 81.779 5.857 29.497 1.00 0.00 C ATOM 162 CD GLU A 11 80.699 6.817 30.004 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.586 6.742 29.510 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.004 7.608 30.882 1.00 0.00 O ATOM 0 H GLU A 11 83.300 3.931 31.270 1.00 0.00 H new ATOM 0 HA GLU A 11 80.497 4.819 31.653 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.042 3.726 29.242 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.370 4.247 29.182 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.711 6.028 30.035 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.980 6.046 28.443 1.00 0.00 H new ATOM 171 N CYS A 12 81.279 1.814 32.025 1.00 0.00 N ATOM 172 CA CYS A 12 80.738 0.433 32.200 1.00 0.00 C ATOM 173 C CYS A 12 79.277 0.511 32.657 1.00 0.00 C ATOM 174 O CYS A 12 78.417 -0.175 32.142 1.00 0.00 O ATOM 175 CB CYS A 12 81.565 -0.312 33.251 1.00 0.00 C ATOM 176 SG CYS A 12 80.901 -1.983 33.469 1.00 0.00 S ATOM 0 H CYS A 12 82.183 1.989 32.463 1.00 0.00 H new ATOM 0 HA CYS A 12 80.793 -0.101 31.252 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.608 -0.362 32.940 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.540 0.227 34.198 1.00 0.00 H new ATOM 181 N GLU A 13 78.990 1.349 33.616 1.00 0.00 N ATOM 182 CA GLU A 13 77.587 1.481 34.105 1.00 0.00 C ATOM 183 C GLU A 13 76.678 1.930 32.955 1.00 0.00 C ATOM 184 O GLU A 13 75.557 1.480 32.827 1.00 0.00 O ATOM 185 CB GLU A 13 77.530 2.511 35.238 1.00 0.00 C ATOM 186 CG GLU A 13 76.090 2.646 35.750 1.00 0.00 C ATOM 187 CD GLU A 13 76.049 3.657 36.896 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.110 4.053 37.349 1.00 0.00 O ATOM 189 OE2 GLU A 13 74.956 4.020 37.299 1.00 0.00 O ATOM 0 H GLU A 13 79.669 1.950 34.084 1.00 0.00 H new ATOM 0 HA GLU A 13 77.245 0.516 34.478 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.187 2.206 36.052 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.891 3.476 34.882 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.434 2.970 34.942 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.722 1.678 36.091 1.00 0.00 H new ATOM 196 N LYS A 14 77.143 2.828 32.130 1.00 0.00 N ATOM 197 CA LYS A 14 76.294 3.320 31.007 1.00 0.00 C ATOM 198 C LYS A 14 75.912 2.152 30.094 1.00 0.00 C ATOM 199 O LYS A 14 74.797 2.065 29.621 1.00 0.00 O ATOM 200 CB LYS A 14 77.058 4.375 30.202 1.00 0.00 C ATOM 201 CG LYS A 14 76.137 4.961 29.129 1.00 0.00 C ATOM 202 CD LYS A 14 76.891 6.017 28.320 1.00 0.00 C ATOM 203 CE LYS A 14 75.949 6.619 27.275 1.00 0.00 C ATOM 204 NZ LYS A 14 76.670 7.669 26.500 1.00 0.00 N ATOM 0 H LYS A 14 78.073 3.242 32.185 1.00 0.00 H new ATOM 0 HA LYS A 14 75.388 3.767 31.416 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.414 5.165 30.863 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.937 3.928 29.738 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.782 4.169 28.469 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.258 5.406 29.595 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.267 6.798 28.981 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.756 5.569 27.832 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.588 5.840 26.603 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.074 7.049 27.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.029 8.078 25.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.993 8.417 27.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.491 7.246 26.022 1.00 0.00 H new ATOM 218 N TYR A 15 76.823 1.252 29.838 1.00 0.00 N ATOM 219 CA TYR A 15 76.496 0.097 28.953 1.00 0.00 C ATOM 220 C TYR A 15 75.817 -0.993 29.779 1.00 0.00 C ATOM 221 O TYR A 15 75.287 -1.947 29.247 1.00 0.00 O ATOM 222 CB TYR A 15 77.776 -0.457 28.330 1.00 0.00 C ATOM 223 CG TYR A 15 78.298 0.523 27.308 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.792 0.501 26.005 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.280 1.455 27.664 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.268 1.409 25.054 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.757 2.364 26.713 1.00 0.00 C ATOM 228 CZ TYR A 15 79.250 2.342 25.407 1.00 0.00 C ATOM 229 OH TYR A 15 79.721 3.236 24.468 1.00 0.00 O ATOM 0 H TYR A 15 77.776 1.266 30.202 1.00 0.00 H new ATOM 0 HA TYR A 15 75.826 0.427 28.159 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.526 -0.628 29.103 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.578 -1.420 27.859 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.033 -0.218 25.733 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.669 1.472 28.671 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.878 1.390 24.047 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.516 3.082 26.986 1.00 0.00 H new ATOM 0 HH TYR A 15 79.654 2.838 23.575 1.00 0.00 H new ATOM 239 N HIS A 16 75.824 -0.849 31.075 1.00 0.00 N ATOM 240 CA HIS A 16 75.168 -1.861 31.949 1.00 0.00 C ATOM 241 C HIS A 16 75.802 -3.235 31.730 1.00 0.00 C ATOM 242 O HIS A 16 77.003 -3.362 31.590 1.00 0.00 O ATOM 243 CB HIS A 16 73.671 -1.919 31.629 1.00 0.00 C ATOM 244 CG HIS A 16 73.126 -0.519 31.552 1.00 0.00 C ATOM 245 ND1 HIS A 16 72.847 0.411 32.523 1.00 0.00 N flip ATOM 246 CD2 HIS A 16 72.809 0.089 30.344 1.00 0.00 C flip ATOM 247 CE1 HIS A 16 72.367 1.573 31.930 1.00 0.00 C flip ATOM 248 NE2 HIS A 16 72.363 1.329 30.618 1.00 0.00 N flip ATOM 0 H HIS A 16 76.258 -0.069 31.569 1.00 0.00 H new ATOM 0 HA HIS A 16 75.304 -1.575 32.992 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.509 -2.437 30.684 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.145 -2.485 32.397 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.903 -0.353 29.363 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.062 2.482 32.427 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.060 1.999 29.911 1.00 0.00 H new ATOM 257 N SER A 17 75.006 -4.270 31.714 1.00 0.00 N ATOM 258 CA SER A 17 75.559 -5.643 31.522 1.00 0.00 C ATOM 259 C SER A 17 75.740 -5.936 30.031 1.00 0.00 C ATOM 260 O SER A 17 76.199 -6.995 29.652 1.00 0.00 O ATOM 261 CB SER A 17 74.597 -6.667 32.126 1.00 0.00 C ATOM 262 OG SER A 17 75.254 -7.923 32.229 1.00 0.00 O ATOM 0 H SER A 17 73.993 -4.224 31.826 1.00 0.00 H new ATOM 0 HA SER A 17 76.528 -5.708 32.017 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.265 -6.335 33.110 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.707 -6.759 31.503 1.00 0.00 H new ATOM 0 HG SER A 17 75.797 -8.075 31.427 1.00 0.00 H new ATOM 268 N ASN A 18 75.385 -5.014 29.178 1.00 0.00 N ATOM 269 CA ASN A 18 75.546 -5.263 27.717 1.00 0.00 C ATOM 270 C ASN A 18 77.004 -5.022 27.331 1.00 0.00 C ATOM 271 O ASN A 18 77.340 -4.025 26.724 1.00 0.00 O ATOM 272 CB ASN A 18 74.654 -4.298 26.933 1.00 0.00 C ATOM 273 CG ASN A 18 73.186 -4.665 27.148 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.872 -5.778 27.519 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.268 -3.764 26.933 1.00 0.00 N ATOM 0 H ASN A 18 74.993 -4.106 29.427 1.00 0.00 H new ATOM 0 HA ASN A 18 75.263 -6.290 27.486 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.835 -3.274 27.259 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.898 -4.342 25.872 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.285 -3.994 27.076 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.533 -2.830 26.621 1.00 0.00 H new ATOM 282 N TRP A 19 77.874 -5.927 27.681 1.00 0.00 N ATOM 283 CA TRP A 19 79.311 -5.749 27.339 1.00 0.00 C ATOM 284 C TRP A 19 79.507 -5.903 25.828 1.00 0.00 C ATOM 285 O TRP A 19 80.441 -5.374 25.259 1.00 0.00 O ATOM 286 CB TRP A 19 80.145 -6.791 28.087 1.00 0.00 C ATOM 287 CG TRP A 19 79.683 -8.168 27.731 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.720 -8.855 28.390 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.143 -9.039 26.656 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.564 -10.092 27.791 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.417 -10.252 26.717 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.108 -8.896 25.642 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.644 -11.287 25.808 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.337 -9.935 24.726 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.607 -11.128 24.810 1.00 0.00 C ATOM 0 H TRP A 19 77.651 -6.783 28.189 1.00 0.00 H new ATOM 0 HA TRP A 19 79.635 -4.751 27.636 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.199 -6.675 27.834 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.057 -6.636 29.162 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.165 -8.496 29.244 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.900 -10.800 28.104 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.676 -7.981 25.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.078 -12.204 25.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.080 -9.814 23.952 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.789 -11.924 24.103 1.00 0.00 H new ATOM 306 N ARG A 20 78.635 -6.620 25.174 1.00 0.00 N ATOM 307 CA ARG A 20 78.774 -6.800 23.701 1.00 0.00 C ATOM 308 C ARG A 20 78.703 -5.436 23.013 1.00 0.00 C ATOM 309 O ARG A 20 79.435 -5.158 22.084 1.00 0.00 O ATOM 310 CB ARG A 20 77.632 -7.676 23.189 1.00 0.00 C ATOM 311 CG ARG A 20 77.829 -9.107 23.683 1.00 0.00 C ATOM 312 CD ARG A 20 76.686 -9.984 23.172 1.00 0.00 C ATOM 313 NE ARG A 20 76.819 -11.349 23.750 1.00 0.00 N ATOM 314 CZ ARG A 20 75.822 -12.187 23.688 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.706 -11.834 23.111 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.942 -13.379 24.205 1.00 0.00 N ATOM 0 H ARG A 20 77.833 -7.089 25.595 1.00 0.00 H new ATOM 0 HA ARG A 20 79.731 -7.274 23.482 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.676 -7.287 23.539 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.604 -7.656 22.100 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.785 -9.496 23.332 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.858 -9.126 24.772 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.726 -9.550 23.451 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.709 -10.033 22.083 1.00 0.00 H new ATOM 0 HE ARG A 20 77.692 -11.630 24.196 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.613 -10.902 22.708 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.927 -12.490 23.063 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.814 -13.654 24.657 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.163 -14.036 24.158 1.00 0.00 H new ATOM 330 N ALA A 21 77.827 -4.585 23.467 1.00 0.00 N ATOM 331 CA ALA A 21 77.705 -3.239 22.844 1.00 0.00 C ATOM 332 C ALA A 21 78.998 -2.463 23.089 1.00 0.00 C ATOM 333 O ALA A 21 79.546 -1.846 22.197 1.00 0.00 O ATOM 334 CB ALA A 21 76.528 -2.490 23.477 1.00 0.00 C ATOM 0 H ALA A 21 77.190 -4.764 24.243 1.00 0.00 H new ATOM 0 HA ALA A 21 77.532 -3.339 21.772 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.437 -1.504 23.022 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.608 -3.052 23.312 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.700 -2.381 24.548 1.00 0.00 H new ATOM 340 N MET A 22 79.495 -2.500 24.293 1.00 0.00 N ATOM 341 CA MET A 22 80.758 -1.780 24.605 1.00 0.00 C ATOM 342 C MET A 22 81.890 -2.343 23.742 1.00 0.00 C ATOM 343 O MET A 22 82.659 -1.611 23.155 1.00 0.00 O ATOM 344 CB MET A 22 81.089 -1.974 26.084 1.00 0.00 C ATOM 345 CG MET A 22 82.377 -1.225 26.429 1.00 0.00 C ATOM 346 SD MET A 22 82.669 -1.313 28.214 1.00 0.00 S ATOM 347 CE MET A 22 82.795 -3.113 28.341 1.00 0.00 C ATOM 0 H MET A 22 79.078 -3.001 25.078 1.00 0.00 H new ATOM 0 HA MET A 22 80.642 -0.717 24.394 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.268 -1.608 26.701 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.204 -3.035 26.304 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.219 -1.661 25.890 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.301 -0.185 26.113 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.435 -3.374 29.184 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.803 -3.537 28.494 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.223 -3.513 27.422 1.00 0.00 H new ATOM 357 N ALA A 23 81.999 -3.641 23.656 1.00 0.00 N ATOM 358 CA ALA A 23 83.082 -4.243 22.830 1.00 0.00 C ATOM 359 C ALA A 23 82.955 -3.753 21.384 1.00 0.00 C ATOM 360 O ALA A 23 83.933 -3.450 20.729 1.00 0.00 O ATOM 361 CB ALA A 23 82.957 -5.767 22.864 1.00 0.00 C ATOM 0 H ALA A 23 81.385 -4.309 24.122 1.00 0.00 H new ATOM 0 HA ALA A 23 84.052 -3.947 23.229 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.749 -6.211 22.260 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.046 -6.117 23.893 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.987 -6.062 22.464 1.00 0.00 H new ATOM 367 N SER A 24 81.752 -3.675 20.883 1.00 0.00 N ATOM 368 CA SER A 24 81.546 -3.210 19.481 1.00 0.00 C ATOM 369 C SER A 24 81.989 -1.752 19.340 1.00 0.00 C ATOM 370 O SER A 24 82.553 -1.360 18.339 1.00 0.00 O ATOM 371 CB SER A 24 80.065 -3.326 19.117 1.00 0.00 C ATOM 372 OG SER A 24 79.672 -4.691 19.175 1.00 0.00 O ATOM 0 H SER A 24 80.898 -3.915 21.387 1.00 0.00 H new ATOM 0 HA SER A 24 82.140 -3.831 18.811 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.462 -2.733 19.805 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.892 -2.928 18.117 1.00 0.00 H new ATOM 0 HG SER A 24 79.563 -4.961 20.111 1.00 0.00 H new ATOM 378 N ASP A 25 81.722 -0.942 20.328 1.00 0.00 N ATOM 379 CA ASP A 25 82.108 0.495 20.238 1.00 0.00 C ATOM 380 C ASP A 25 83.630 0.645 20.299 1.00 0.00 C ATOM 381 O ASP A 25 84.208 1.442 19.587 1.00 0.00 O ATOM 382 CB ASP A 25 81.480 1.255 21.406 1.00 0.00 C ATOM 383 CG ASP A 25 79.966 1.339 21.201 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.532 1.192 20.072 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.270 1.550 22.178 1.00 0.00 O ATOM 0 H ASP A 25 81.254 -1.213 21.193 1.00 0.00 H new ATOM 0 HA ASP A 25 81.752 0.899 19.290 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.704 0.750 22.346 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.905 2.256 21.474 1.00 0.00 H new ATOM 390 N PHE A 26 84.285 -0.117 21.131 1.00 0.00 N ATOM 391 CA PHE A 26 85.777 -0.021 21.224 1.00 0.00 C ATOM 392 C PHE A 26 86.405 -1.103 20.339 1.00 0.00 C ATOM 393 O PHE A 26 87.610 -1.216 20.235 1.00 0.00 O ATOM 394 CB PHE A 26 86.212 -0.212 22.681 1.00 0.00 C ATOM 395 CG PHE A 26 85.791 0.994 23.496 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.527 1.028 24.100 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.667 2.079 23.651 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.139 2.142 24.852 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.277 3.192 24.406 1.00 0.00 C ATOM 400 CZ PHE A 26 85.014 3.223 25.006 1.00 0.00 C ATOM 0 H PHE A 26 83.856 -0.803 21.752 1.00 0.00 H new ATOM 0 HA PHE A 26 86.108 0.960 20.883 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.762 -1.116 23.091 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.293 -0.341 22.735 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.852 0.193 23.985 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.642 2.056 23.188 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.163 2.168 25.314 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.952 4.027 24.525 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.714 4.082 25.588 1.00 0.00 H new ATOM 410 N ASN A 27 85.589 -1.888 19.684 1.00 0.00 N ATOM 411 CA ASN A 27 86.122 -2.954 18.784 1.00 0.00 C ATOM 412 C ASN A 27 87.150 -3.813 19.525 1.00 0.00 C ATOM 413 O ASN A 27 88.221 -4.084 19.019 1.00 0.00 O ATOM 414 CB ASN A 27 86.780 -2.306 17.566 1.00 0.00 C ATOM 415 CG ASN A 27 85.734 -1.499 16.795 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.949 -0.345 16.481 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.601 -2.061 16.474 1.00 0.00 N ATOM 0 H ASN A 27 84.572 -1.836 19.734 1.00 0.00 H new ATOM 0 HA ASN A 27 85.298 -3.592 18.464 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.596 -1.657 17.882 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.213 -3.072 16.922 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.897 -1.532 15.960 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.420 -3.030 16.737 1.00 0.00 H new ATOM 424 N LEU A 28 86.825 -4.252 20.717 1.00 0.00 N ATOM 425 CA LEU A 28 87.770 -5.108 21.506 1.00 0.00 C ATOM 426 C LEU A 28 87.191 -6.529 21.605 1.00 0.00 C ATOM 427 O LEU A 28 85.990 -6.711 21.547 1.00 0.00 O ATOM 428 CB LEU A 28 87.914 -4.519 22.915 1.00 0.00 C ATOM 429 CG LEU A 28 88.887 -3.326 22.899 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.646 -2.459 24.140 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.349 -3.818 22.897 1.00 0.00 C ATOM 0 H LEU A 28 85.939 -4.053 21.182 1.00 0.00 H new ATOM 0 HA LEU A 28 88.744 -5.141 21.019 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.940 -4.197 23.283 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.277 -5.284 23.601 1.00 0.00 H new ATOM 0 HG LEU A 28 88.712 -2.743 21.995 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.333 -1.613 24.132 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.619 -2.092 24.134 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.813 -3.054 25.038 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.022 -2.960 22.886 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.534 -4.412 23.792 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.526 -4.430 22.012 1.00 0.00 H new ATOM 443 N PRO A 29 88.027 -7.532 21.756 1.00 0.00 N ATOM 444 CA PRO A 29 87.557 -8.946 21.865 1.00 0.00 C ATOM 445 C PRO A 29 86.901 -9.227 23.236 1.00 0.00 C ATOM 446 O PRO A 29 87.296 -8.657 24.233 1.00 0.00 O ATOM 447 CB PRO A 29 88.846 -9.763 21.694 1.00 0.00 C ATOM 448 CG PRO A 29 89.933 -8.865 22.190 1.00 0.00 C ATOM 449 CD PRO A 29 89.499 -7.439 21.836 1.00 0.00 C ATOM 0 HA PRO A 29 86.792 -9.190 21.128 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.806 -10.690 22.266 1.00 0.00 H new ATOM 0 HB3 PRO A 29 89.005 -10.039 20.651 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.069 -8.975 23.266 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.886 -9.110 21.721 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.815 -6.724 22.596 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.932 -7.112 20.891 1.00 0.00 H new ATOM 457 N PRO A 30 85.911 -10.097 23.295 1.00 0.00 N ATOM 458 CA PRO A 30 85.220 -10.434 24.575 1.00 0.00 C ATOM 459 C PRO A 30 86.187 -10.560 25.763 1.00 0.00 C ATOM 460 O PRO A 30 85.801 -10.410 26.905 1.00 0.00 O ATOM 461 CB PRO A 30 84.564 -11.786 24.275 1.00 0.00 C ATOM 462 CG PRO A 30 84.274 -11.759 22.806 1.00 0.00 C ATOM 463 CD PRO A 30 85.338 -10.852 22.162 1.00 0.00 C ATOM 0 HA PRO A 30 84.519 -9.654 24.871 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.227 -12.612 24.531 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.651 -11.919 24.855 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.315 -12.763 22.385 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.272 -11.375 22.616 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.101 -11.437 21.648 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.896 -10.184 21.422 1.00 0.00 H new ATOM 471 N VAL A 31 87.433 -10.853 25.505 1.00 0.00 N ATOM 472 CA VAL A 31 88.408 -11.007 26.625 1.00 0.00 C ATOM 473 C VAL A 31 88.496 -9.701 27.420 1.00 0.00 C ATOM 474 O VAL A 31 88.400 -9.696 28.632 1.00 0.00 O ATOM 475 CB VAL A 31 89.789 -11.341 26.043 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.859 -11.261 27.141 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.763 -12.756 25.456 1.00 0.00 C ATOM 0 H VAL A 31 87.818 -10.992 24.571 1.00 0.00 H new ATOM 0 HA VAL A 31 88.078 -11.808 27.287 1.00 0.00 H new ATOM 0 HB VAL A 31 90.030 -10.622 25.261 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.834 -11.500 26.717 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.880 -10.253 27.555 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.623 -11.973 27.932 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.742 -12.996 25.042 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.516 -13.471 26.241 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.013 -12.809 24.667 1.00 0.00 H new ATOM 487 N VAL A 32 88.682 -8.599 26.753 1.00 0.00 N ATOM 488 CA VAL A 32 88.781 -7.303 27.478 1.00 0.00 C ATOM 489 C VAL A 32 87.397 -6.869 27.961 1.00 0.00 C ATOM 490 O VAL A 32 87.240 -6.376 29.057 1.00 0.00 O ATOM 491 CB VAL A 32 89.340 -6.231 26.545 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.383 -4.891 27.282 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.752 -6.619 26.089 1.00 0.00 C ATOM 0 H VAL A 32 88.770 -8.539 25.739 1.00 0.00 H new ATOM 0 HA VAL A 32 89.444 -7.429 28.334 1.00 0.00 H new ATOM 0 HB VAL A 32 88.698 -6.144 25.669 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.782 -4.124 26.619 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.376 -4.614 27.593 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.022 -4.979 28.160 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.144 -5.849 25.424 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.402 -6.712 26.959 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.715 -7.571 25.560 1.00 0.00 H new ATOM 503 N ALA A 33 86.392 -7.035 27.145 1.00 0.00 N ATOM 504 CA ALA A 33 85.025 -6.610 27.557 1.00 0.00 C ATOM 505 C ALA A 33 84.612 -7.371 28.817 1.00 0.00 C ATOM 506 O ALA A 33 84.224 -6.785 29.808 1.00 0.00 O ATOM 507 CB ALA A 33 84.045 -6.907 26.422 1.00 0.00 C ATOM 0 H ALA A 33 86.458 -7.445 26.214 1.00 0.00 H new ATOM 0 HA ALA A 33 85.018 -5.541 27.770 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.042 -6.598 26.717 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.345 -6.359 25.529 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.048 -7.976 26.209 1.00 0.00 H new ATOM 513 N LYS A 34 84.717 -8.665 28.800 1.00 0.00 N ATOM 514 CA LYS A 34 84.358 -9.455 30.009 1.00 0.00 C ATOM 515 C LYS A 34 85.250 -9.024 31.173 1.00 0.00 C ATOM 516 O LYS A 34 84.811 -8.912 32.301 1.00 0.00 O ATOM 517 CB LYS A 34 84.557 -10.945 29.725 1.00 0.00 C ATOM 518 CG LYS A 34 83.488 -11.419 28.739 1.00 0.00 C ATOM 519 CD LYS A 34 83.680 -12.909 28.448 1.00 0.00 C ATOM 520 CE LYS A 34 82.596 -13.394 27.478 1.00 0.00 C ATOM 521 NZ LYS A 34 81.341 -13.660 28.236 1.00 0.00 N ATOM 0 H LYS A 34 85.036 -9.213 28.001 1.00 0.00 H new ATOM 0 HA LYS A 34 83.314 -9.279 30.268 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.551 -11.119 29.313 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.492 -11.515 30.652 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.495 -11.244 29.153 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.553 -10.846 27.814 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.667 -13.081 28.019 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.632 -13.479 29.376 1.00 0.00 H new ATOM 0 HE2 LYS A 34 82.418 -12.643 26.709 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.926 -14.300 26.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.603 -13.989 27.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.518 -14.391 28.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.025 -12.786 28.702 1.00 0.00 H new ATOM 535 N GLU A 35 86.505 -8.788 30.906 1.00 0.00 N ATOM 536 CA GLU A 35 87.439 -8.370 31.989 1.00 0.00 C ATOM 537 C GLU A 35 86.973 -7.049 32.602 1.00 0.00 C ATOM 538 O GLU A 35 87.007 -6.867 33.803 1.00 0.00 O ATOM 539 CB GLU A 35 88.840 -8.181 31.404 1.00 0.00 C ATOM 540 CG GLU A 35 89.851 -7.951 32.537 1.00 0.00 C ATOM 541 CD GLU A 35 89.755 -6.508 33.045 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.243 -5.671 32.318 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.198 -6.262 34.154 1.00 0.00 O ATOM 0 H GLU A 35 86.925 -8.867 29.980 1.00 0.00 H new ATOM 0 HA GLU A 35 87.456 -9.140 32.760 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.123 -9.059 30.824 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.847 -7.332 30.720 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.657 -8.646 33.354 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.861 -8.152 32.180 1.00 0.00 H new ATOM 550 N ILE A 36 86.536 -6.124 31.792 1.00 0.00 N ATOM 551 CA ILE A 36 86.070 -4.826 32.348 1.00 0.00 C ATOM 552 C ILE A 36 84.899 -5.107 33.286 1.00 0.00 C ATOM 553 O ILE A 36 84.795 -4.548 34.360 1.00 0.00 O ATOM 554 CB ILE A 36 85.627 -3.912 31.203 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.853 -3.482 30.395 1.00 0.00 C ATOM 556 CG2 ILE A 36 84.941 -2.667 31.770 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.398 -2.810 29.099 1.00 0.00 C ATOM 0 H ILE A 36 86.482 -6.211 30.777 1.00 0.00 H new ATOM 0 HA ILE A 36 86.872 -4.330 32.895 1.00 0.00 H new ATOM 0 HB ILE A 36 84.930 -4.452 30.562 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.464 -2.794 30.979 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.475 -4.348 30.169 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.628 -2.020 30.951 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.068 -2.965 32.351 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.638 -2.128 32.412 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.271 -2.503 28.522 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.805 -3.513 28.514 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.794 -1.934 29.336 1.00 0.00 H new ATOM 569 N VAL A 37 84.037 -6.004 32.898 1.00 0.00 N ATOM 570 CA VAL A 37 82.888 -6.369 33.769 1.00 0.00 C ATOM 571 C VAL A 37 83.437 -7.049 35.022 1.00 0.00 C ATOM 572 O VAL A 37 82.974 -6.823 36.119 1.00 0.00 O ATOM 573 CB VAL A 37 81.970 -7.332 33.010 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.920 -7.915 33.962 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.271 -6.571 31.878 1.00 0.00 C ATOM 0 H VAL A 37 84.080 -6.503 32.009 1.00 0.00 H new ATOM 0 HA VAL A 37 82.318 -5.483 34.048 1.00 0.00 H new ATOM 0 HB VAL A 37 82.563 -8.147 32.596 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.272 -8.599 33.414 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.419 -8.455 34.767 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.322 -7.107 34.383 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.616 -7.251 31.333 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.681 -5.756 32.298 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.019 -6.164 31.197 1.00 0.00 H new ATOM 585 N ALA A 38 84.432 -7.877 34.855 1.00 0.00 N ATOM 586 CA ALA A 38 85.036 -8.584 36.019 1.00 0.00 C ATOM 587 C ALA A 38 85.561 -7.563 37.032 1.00 0.00 C ATOM 588 O ALA A 38 85.760 -7.872 38.189 1.00 0.00 O ATOM 589 CB ALA A 38 86.196 -9.454 35.535 1.00 0.00 C ATOM 0 H ALA A 38 84.856 -8.095 33.953 1.00 0.00 H new ATOM 0 HA ALA A 38 84.278 -9.207 36.494 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.641 -9.973 36.384 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.827 -10.185 34.816 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.949 -8.825 35.060 1.00 0.00 H new ATOM 595 N SER A 39 85.795 -6.349 36.607 1.00 0.00 N ATOM 596 CA SER A 39 86.315 -5.317 37.554 1.00 0.00 C ATOM 597 C SER A 39 85.140 -4.628 38.241 1.00 0.00 C ATOM 598 O SER A 39 85.140 -4.427 39.440 1.00 0.00 O ATOM 599 CB SER A 39 87.128 -4.278 36.780 1.00 0.00 C ATOM 600 OG SER A 39 88.235 -4.917 36.159 1.00 0.00 O ATOM 0 H SER A 39 85.650 -6.028 35.650 1.00 0.00 H new ATOM 0 HA SER A 39 86.950 -5.794 38.301 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.503 -3.796 36.028 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.476 -3.496 37.454 1.00 0.00 H new ATOM 0 HG SER A 39 87.914 -5.511 35.449 1.00 0.00 H new ATOM 606 N CYS A 40 84.130 -4.279 37.498 1.00 0.00 N ATOM 607 CA CYS A 40 82.951 -3.620 38.120 1.00 0.00 C ATOM 608 C CYS A 40 82.368 -4.558 39.180 1.00 0.00 C ATOM 609 O CYS A 40 82.132 -5.720 38.926 1.00 0.00 O ATOM 610 CB CYS A 40 81.903 -3.340 37.041 1.00 0.00 C ATOM 611 SG CYS A 40 80.689 -2.153 37.667 1.00 0.00 S ATOM 0 H CYS A 40 84.069 -4.421 36.490 1.00 0.00 H new ATOM 0 HA CYS A 40 83.245 -2.679 38.585 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.384 -2.945 36.146 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.406 -4.266 36.754 1.00 0.00 H new ATOM 616 N ASP A 41 82.139 -4.068 40.365 1.00 0.00 N ATOM 617 CA ASP A 41 81.578 -4.947 41.432 1.00 0.00 C ATOM 618 C ASP A 41 80.075 -5.140 41.215 1.00 0.00 C ATOM 619 O ASP A 41 79.495 -6.112 41.660 1.00 0.00 O ATOM 620 CB ASP A 41 81.818 -4.304 42.801 1.00 0.00 C ATOM 621 CG ASP A 41 83.309 -4.361 43.141 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.001 -5.170 42.544 1.00 0.00 O ATOM 623 OD2 ASP A 41 83.731 -3.602 43.996 1.00 0.00 O ATOM 0 H ASP A 41 82.314 -3.102 40.642 1.00 0.00 H new ATOM 0 HA ASP A 41 82.072 -5.918 41.391 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.476 -3.269 42.793 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.240 -4.825 43.565 1.00 0.00 H new ATOM 628 N LYS A 42 79.435 -4.219 40.549 1.00 0.00 N ATOM 629 CA LYS A 42 77.966 -4.345 40.320 1.00 0.00 C ATOM 630 C LYS A 42 77.666 -5.342 39.194 1.00 0.00 C ATOM 631 O LYS A 42 76.822 -6.205 39.333 1.00 0.00 O ATOM 632 CB LYS A 42 77.405 -2.973 39.942 1.00 0.00 C ATOM 633 CG LYS A 42 77.433 -2.054 41.165 1.00 0.00 C ATOM 634 CD LYS A 42 77.268 -0.599 40.720 1.00 0.00 C ATOM 635 CE LYS A 42 75.943 -0.436 39.975 1.00 0.00 C ATOM 636 NZ LYS A 42 75.607 1.012 39.876 1.00 0.00 N ATOM 0 H LYS A 42 79.865 -3.383 40.153 1.00 0.00 H new ATOM 0 HA LYS A 42 77.500 -4.711 41.235 1.00 0.00 H new ATOM 0 HB2 LYS A 42 77.993 -2.538 39.134 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.384 -3.075 39.574 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.634 -2.326 41.855 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.374 -2.176 41.702 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.293 0.062 41.587 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.097 -0.310 40.075 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.017 -0.873 38.979 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.150 -0.970 40.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 74.706 1.125 39.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.520 1.414 40.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.360 1.508 39.358 1.00 0.00 H new ATOM 650 N CYS A 43 78.326 -5.220 38.075 1.00 0.00 N ATOM 651 CA CYS A 43 78.048 -6.151 36.941 1.00 0.00 C ATOM 652 C CYS A 43 78.719 -7.508 37.174 1.00 0.00 C ATOM 653 O CYS A 43 78.242 -8.527 36.715 1.00 0.00 O ATOM 654 CB CYS A 43 78.561 -5.538 35.637 1.00 0.00 C ATOM 655 SG CYS A 43 77.643 -4.019 35.287 1.00 0.00 S ATOM 0 H CYS A 43 79.044 -4.518 37.896 1.00 0.00 H new ATOM 0 HA CYS A 43 76.971 -6.306 36.875 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.626 -5.322 35.718 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.441 -6.246 34.817 1.00 0.00 H new ATOM 660 N GLN A 44 79.823 -7.540 37.869 1.00 0.00 N ATOM 661 CA GLN A 44 80.507 -8.846 38.100 1.00 0.00 C ATOM 662 C GLN A 44 79.673 -9.702 39.052 1.00 0.00 C ATOM 663 O GLN A 44 79.313 -10.821 38.742 1.00 0.00 O ATOM 664 CB GLN A 44 81.889 -8.604 38.713 1.00 0.00 C ATOM 665 CG GLN A 44 82.652 -9.928 38.777 1.00 0.00 C ATOM 666 CD GLN A 44 84.074 -9.679 39.291 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.988 -10.406 38.957 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.304 -8.668 40.086 1.00 0.00 N ATOM 0 H GLN A 44 80.278 -6.727 38.284 1.00 0.00 H new ATOM 0 HA GLN A 44 80.618 -9.365 37.148 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.443 -7.880 38.115 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.787 -8.181 39.712 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.134 -10.626 39.435 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.687 -10.387 37.789 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.538 -8.056 40.368 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.250 -8.490 40.425 1.00 0.00 H new ATOM 677 N LEU A 45 79.358 -9.188 40.208 1.00 0.00 N ATOM 678 CA LEU A 45 78.542 -9.971 41.180 1.00 0.00 C ATOM 679 C LEU A 45 77.058 -9.739 40.885 1.00 0.00 C ATOM 680 O LEU A 45 76.587 -8.619 40.876 1.00 0.00 O ATOM 681 CB LEU A 45 78.859 -9.502 42.603 1.00 0.00 C ATOM 682 CG LEU A 45 80.351 -9.712 42.908 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.670 -9.146 44.298 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.692 -11.215 42.871 1.00 0.00 C ATOM 0 H LEU A 45 79.631 -8.257 40.523 1.00 0.00 H new ATOM 0 HA LEU A 45 78.774 -11.032 41.089 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.602 -8.448 42.713 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.252 -10.054 43.320 1.00 0.00 H new ATOM 0 HG LEU A 45 80.947 -9.195 42.156 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.728 -9.294 44.517 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.440 -8.081 44.319 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.069 -9.661 45.047 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.751 -11.353 43.088 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.097 -11.742 43.617 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.470 -11.614 41.881 1.00 0.00 H new ATOM 696 N LYS A 46 76.313 -10.784 40.644 1.00 0.00 N ATOM 697 CA LYS A 46 74.861 -10.606 40.354 1.00 0.00 C ATOM 698 C LYS A 46 74.125 -10.288 41.655 1.00 0.00 C ATOM 699 O LYS A 46 74.405 -10.854 42.693 1.00 0.00 O ATOM 700 CB LYS A 46 74.290 -11.896 39.750 1.00 0.00 C ATOM 701 CG LYS A 46 74.987 -12.226 38.421 1.00 0.00 C ATOM 702 CD LYS A 46 74.482 -11.302 37.304 1.00 0.00 C ATOM 703 CE LYS A 46 74.965 -11.828 35.951 1.00 0.00 C ATOM 704 NZ LYS A 46 76.447 -11.694 35.866 1.00 0.00 N ATOM 0 H LYS A 46 76.645 -11.749 40.635 1.00 0.00 H new ATOM 0 HA LYS A 46 74.731 -9.789 39.645 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.421 -12.721 40.450 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.218 -11.784 39.587 1.00 0.00 H new ATOM 0 HG2 LYS A 46 76.066 -12.116 38.532 1.00 0.00 H new ATOM 0 HG3 LYS A 46 74.799 -13.266 38.154 1.00 0.00 H new ATOM 0 HD2 LYS A 46 73.393 -11.255 37.320 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.847 -10.287 37.463 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.676 -12.872 35.831 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.492 -11.271 35.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 76.763 -11.939 34.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 76.720 -10.714 36.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.893 -12.335 36.552 1.00 0.00 H new ATOM 718 N GLY A 47 73.186 -9.384 41.607 1.00 0.00 N ATOM 719 CA GLY A 47 72.435 -9.027 42.842 1.00 0.00 C ATOM 720 C GLY A 47 71.496 -10.172 43.224 1.00 0.00 C ATOM 721 O GLY A 47 70.303 -10.108 43.000 1.00 0.00 O ATOM 0 H GLY A 47 72.907 -8.878 40.767 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.131 -8.827 43.657 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.863 -8.113 42.680 1.00 0.00 H new ATOM 725 N GLU A 48 72.021 -11.216 43.808 1.00 0.00 N ATOM 726 CA GLU A 48 71.151 -12.360 44.211 1.00 0.00 C ATOM 727 C GLU A 48 71.808 -13.124 45.363 1.00 0.00 C ATOM 728 O GLU A 48 71.178 -13.396 46.365 1.00 0.00 O ATOM 729 CB GLU A 48 70.924 -13.297 43.017 1.00 0.00 C ATOM 730 CG GLU A 48 72.250 -13.596 42.309 1.00 0.00 C ATOM 731 CD GLU A 48 71.972 -14.396 41.035 1.00 0.00 C ATOM 732 OE1 GLU A 48 71.290 -15.404 41.129 1.00 0.00 O ATOM 733 OE2 GLU A 48 72.446 -13.989 39.987 1.00 0.00 O ATOM 0 H GLU A 48 73.012 -11.326 44.023 1.00 0.00 H new ATOM 0 HA GLU A 48 70.186 -11.976 44.541 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.470 -14.227 43.358 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.226 -12.840 42.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 72.763 -12.666 42.064 1.00 0.00 H new ATOM 0 HG3 GLU A 48 72.910 -14.159 42.969 1.00 0.00 H new ATOM 740 N ALA A 49 73.069 -13.457 45.233 1.00 0.00 N ATOM 741 CA ALA A 49 73.784 -14.198 46.323 1.00 0.00 C ATOM 742 C ALA A 49 72.851 -15.236 46.963 1.00 0.00 C ATOM 743 O ALA A 49 72.225 -16.024 46.283 1.00 0.00 O ATOM 744 CB ALA A 49 74.250 -13.203 47.390 1.00 0.00 C ATOM 0 H ALA A 49 73.639 -13.247 44.414 1.00 0.00 H new ATOM 0 HA ALA A 49 74.644 -14.714 45.897 1.00 0.00 H new ATOM 0 HB1 ALA A 49 74.770 -13.738 48.184 1.00 0.00 H new ATOM 0 HB2 ALA A 49 74.926 -12.476 46.939 1.00 0.00 H new ATOM 0 HB3 ALA A 49 73.386 -12.685 47.807 1.00 0.00 H new ATOM 750 N MET A 50 72.753 -15.232 48.264 1.00 0.00 N ATOM 751 CA MET A 50 71.860 -16.204 48.954 1.00 0.00 C ATOM 752 C MET A 50 70.405 -15.769 48.776 1.00 0.00 C ATOM 753 O MET A 50 70.124 -14.715 48.239 1.00 0.00 O ATOM 754 CB MET A 50 72.194 -16.243 50.444 1.00 0.00 C ATOM 755 CG MET A 50 73.618 -16.760 50.633 1.00 0.00 C ATOM 756 SD MET A 50 73.693 -18.520 50.206 1.00 0.00 S ATOM 757 CE MET A 50 73.013 -19.187 51.749 1.00 0.00 C ATOM 0 H MET A 50 73.256 -14.594 48.881 1.00 0.00 H new ATOM 0 HA MET A 50 72.005 -17.195 48.524 1.00 0.00 H new ATOM 0 HB2 MET A 50 72.097 -15.247 50.875 1.00 0.00 H new ATOM 0 HB3 MET A 50 71.489 -16.888 50.969 1.00 0.00 H new ATOM 0 HG2 MET A 50 74.307 -16.194 50.005 1.00 0.00 H new ATOM 0 HG3 MET A 50 73.934 -16.613 51.666 1.00 0.00 H new ATOM 0 HE1 MET A 50 73.782 -19.759 52.268 1.00 0.00 H new ATOM 0 HE2 MET A 50 72.680 -18.366 52.385 1.00 0.00 H new ATOM 0 HE3 MET A 50 72.168 -19.837 51.523 1.00 0.00 H new ATOM 767 N HIS A 51 69.478 -16.569 49.221 1.00 0.00 N ATOM 768 CA HIS A 51 68.043 -16.200 49.076 1.00 0.00 C ATOM 769 C HIS A 51 67.709 -15.103 50.089 1.00 0.00 C ATOM 770 O HIS A 51 66.861 -14.264 49.855 1.00 0.00 O ATOM 771 CB HIS A 51 67.173 -17.430 49.347 1.00 0.00 C ATOM 772 CG HIS A 51 65.749 -17.139 48.956 1.00 0.00 C ATOM 773 ND1 HIS A 51 64.867 -16.486 49.806 1.00 0.00 N ATOM 774 CD2 HIS A 51 65.037 -17.413 47.814 1.00 0.00 C ATOM 775 CE1 HIS A 51 63.685 -16.390 49.168 1.00 0.00 C ATOM 776 NE2 HIS A 51 63.737 -16.939 47.954 1.00 0.00 N ATOM 0 H HIS A 51 69.652 -17.463 49.679 1.00 0.00 H new ATOM 0 HA HIS A 51 67.852 -15.839 48.065 1.00 0.00 H new ATOM 0 HB2 HIS A 51 67.548 -18.284 48.783 1.00 0.00 H new ATOM 0 HB3 HIS A 51 67.223 -17.698 50.402 1.00 0.00 H new ATOM 0 HD1 HIS A 51 65.076 -16.142 50.743 1.00 0.00 H new ATOM 0 HD2 HIS A 51 65.426 -17.918 46.942 1.00 0.00 H new ATOM 0 HE1 HIS A 51 62.805 -15.926 49.587 1.00 0.00 H new ATOM 785 N GLY A 52 68.377 -15.099 51.209 1.00 0.00 N ATOM 786 CA GLY A 52 68.112 -14.054 52.237 1.00 0.00 C ATOM 787 C GLY A 52 66.722 -14.259 52.837 1.00 0.00 C ATOM 788 O GLY A 52 65.775 -14.567 52.142 1.00 0.00 O ATOM 0 H GLY A 52 69.098 -15.777 51.457 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.867 -14.103 53.021 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.182 -13.063 51.788 1.00 0.00 H new ATOM 792 N GLN A 53 66.592 -14.084 54.125 1.00 0.00 N ATOM 793 CA GLN A 53 65.264 -14.263 54.777 1.00 0.00 C ATOM 794 C GLN A 53 64.682 -15.628 54.403 1.00 0.00 C ATOM 795 O GLN A 53 64.182 -15.823 53.313 1.00 0.00 O ATOM 796 CB GLN A 53 64.313 -13.161 54.305 1.00 0.00 C ATOM 797 CG GLN A 53 63.037 -13.193 55.150 1.00 0.00 C ATOM 798 CD GLN A 53 62.083 -12.094 54.675 1.00 0.00 C ATOM 799 OE1 GLN A 53 61.925 -11.884 53.490 1.00 0.00 O ATOM 800 NE2 GLN A 53 61.437 -11.381 55.556 1.00 0.00 N ATOM 0 H GLN A 53 67.351 -13.824 54.755 1.00 0.00 H new ATOM 0 HA GLN A 53 65.385 -14.207 55.859 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.795 -12.187 54.392 1.00 0.00 H new ATOM 0 HB3 GLN A 53 64.069 -13.303 53.252 1.00 0.00 H new ATOM 0 HG2 GLN A 53 62.557 -14.168 55.066 1.00 0.00 H new ATOM 0 HG3 GLN A 53 63.281 -13.048 56.202 1.00 0.00 H new ATOM 0 HE21 GLN A 53 61.570 -11.558 56.552 1.00 0.00 H new ATOM 0 HE22 GLN A 53 60.799 -10.647 55.249 1.00 0.00 H new ATOM 809 N VAL A 54 64.732 -16.574 55.301 1.00 0.00 N ATOM 810 CA VAL A 54 64.175 -17.925 54.997 1.00 0.00 C ATOM 811 C VAL A 54 62.706 -17.962 55.420 1.00 0.00 C ATOM 812 O VAL A 54 62.364 -17.670 56.548 1.00 0.00 O ATOM 813 CB VAL A 54 64.967 -18.989 55.766 1.00 0.00 C ATOM 814 CG1 VAL A 54 64.731 -18.832 57.272 1.00 0.00 C ATOM 815 CG2 VAL A 54 64.516 -20.384 55.320 1.00 0.00 C ATOM 0 H VAL A 54 65.134 -16.471 56.233 1.00 0.00 H new ATOM 0 HA VAL A 54 64.252 -18.128 53.929 1.00 0.00 H new ATOM 0 HB VAL A 54 66.029 -18.864 55.557 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.297 -19.592 57.810 1.00 0.00 H new ATOM 0 HG12 VAL A 54 65.058 -17.842 57.590 1.00 0.00 H new ATOM 0 HG13 VAL A 54 63.669 -18.950 57.488 1.00 0.00 H new ATOM 0 HG21 VAL A 54 65.079 -21.140 55.867 1.00 0.00 H new ATOM 0 HG22 VAL A 54 63.452 -20.505 55.524 1.00 0.00 H new ATOM 0 HG23 VAL A 54 64.696 -20.500 54.251 1.00 0.00 H new ATOM 825 N ASP A 55 61.830 -18.305 54.513 1.00 0.00 N ATOM 826 CA ASP A 55 60.375 -18.350 54.846 1.00 0.00 C ATOM 827 C ASP A 55 59.996 -19.759 55.308 1.00 0.00 C ATOM 828 O ASP A 55 60.149 -20.680 54.523 1.00 0.00 O ATOM 829 CB ASP A 55 59.564 -17.986 53.602 1.00 0.00 C ATOM 830 CG ASP A 55 58.098 -17.788 53.989 1.00 0.00 C ATOM 831 OD1 ASP A 55 57.725 -18.225 55.065 1.00 0.00 O ATOM 832 OD2 ASP A 55 57.373 -17.200 53.204 1.00 0.00 O ATOM 833 OXT ASP A 55 59.559 -19.891 56.440 1.00 0.00 O ATOM 0 H ASP A 55 62.060 -18.557 53.552 1.00 0.00 H new ATOM 0 HA ASP A 55 60.161 -17.640 55.645 1.00 0.00 H new ATOM 0 HB2 ASP A 55 59.958 -17.075 53.151 1.00 0.00 H new ATOM 0 HB3 ASP A 55 59.651 -18.775 52.855 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.360 -11.632 23.353 1.00 0.00 N ATOM 840 CA PHE B 1 95.270 -12.619 23.117 1.00 0.00 C ATOM 841 C PHE B 1 95.847 -13.852 22.430 1.00 0.00 C ATOM 842 O PHE B 1 96.028 -13.880 21.229 1.00 0.00 O ATOM 843 CB PHE B 1 94.204 -11.985 22.229 1.00 0.00 C ATOM 844 CG PHE B 1 93.824 -10.640 22.803 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.951 -10.571 23.894 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.348 -9.463 22.250 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.602 -9.328 24.433 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.997 -8.218 22.791 1.00 0.00 C ATOM 849 CZ PHE B 1 93.125 -8.152 23.883 1.00 0.00 C ATOM 0 H1 PHE B 1 96.007 -10.673 23.162 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.677 -11.694 24.342 1.00 0.00 H new ATOM 0 H3 PHE B 1 97.159 -11.839 22.720 1.00 0.00 H new ATOM 0 HA PHE B 1 94.823 -12.912 24.067 1.00 0.00 H new ATOM 0 HB2 PHE B 1 94.581 -11.868 21.213 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.328 -12.631 22.172 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.546 -11.477 24.320 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.022 -9.515 21.408 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.928 -9.276 25.275 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.399 -7.311 22.365 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.855 -7.194 24.302 1.00 0.00 H new ATOM 861 N LEU B 2 96.149 -14.868 23.197 1.00 0.00 N ATOM 862 CA LEU B 2 96.736 -16.120 22.622 1.00 0.00 C ATOM 863 C LEU B 2 95.775 -17.288 22.795 1.00 0.00 C ATOM 864 O LEU B 2 95.112 -17.420 23.797 1.00 0.00 O ATOM 865 CB LEU B 2 98.054 -16.440 23.336 1.00 0.00 C ATOM 866 CG LEU B 2 99.051 -15.287 23.154 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.256 -15.519 24.068 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.528 -15.214 21.694 1.00 0.00 C ATOM 0 H LEU B 2 96.013 -14.885 24.208 1.00 0.00 H new ATOM 0 HA LEU B 2 96.916 -15.965 21.558 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.870 -16.606 24.397 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.477 -17.362 22.937 1.00 0.00 H new ATOM 0 HG LEU B 2 98.559 -14.349 23.410 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.969 -14.704 23.944 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.924 -15.556 25.106 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.735 -16.463 23.806 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.234 -14.391 21.583 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.016 -16.150 21.423 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.672 -15.049 21.039 1.00 0.00 H new ATOM 880 N ASP B 3 95.714 -18.151 21.823 1.00 0.00 N ATOM 881 CA ASP B 3 94.814 -19.328 21.929 1.00 0.00 C ATOM 882 C ASP B 3 95.233 -20.148 23.145 1.00 0.00 C ATOM 883 O ASP B 3 94.407 -20.657 23.879 1.00 0.00 O ATOM 884 CB ASP B 3 94.924 -20.179 20.660 1.00 0.00 C ATOM 885 CG ASP B 3 94.246 -19.450 19.498 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.376 -18.636 19.762 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.608 -19.717 18.364 1.00 0.00 O ATOM 0 H ASP B 3 96.250 -18.091 20.957 1.00 0.00 H new ATOM 0 HA ASP B 3 93.780 -19.001 22.040 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.972 -20.366 20.424 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.454 -21.150 20.818 1.00 0.00 H new ATOM 892 N GLY B 4 96.511 -20.269 23.378 1.00 0.00 N ATOM 893 CA GLY B 4 96.985 -21.041 24.564 1.00 0.00 C ATOM 894 C GLY B 4 96.213 -20.576 25.804 1.00 0.00 C ATOM 895 O GLY B 4 96.228 -21.218 26.834 1.00 0.00 O ATOM 0 H GLY B 4 97.248 -19.867 22.799 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.832 -22.108 24.404 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.055 -20.890 24.708 1.00 0.00 H new ATOM 899 N ILE B 5 95.520 -19.471 25.701 1.00 0.00 N ATOM 900 CA ILE B 5 94.726 -18.975 26.858 1.00 0.00 C ATOM 901 C ILE B 5 93.692 -20.040 27.232 1.00 0.00 C ATOM 902 O ILE B 5 93.398 -20.256 28.391 1.00 0.00 O ATOM 903 CB ILE B 5 94.035 -17.651 26.486 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.073 -16.525 26.475 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.932 -17.322 27.503 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.469 -15.284 25.814 1.00 0.00 C ATOM 0 H ILE B 5 95.472 -18.892 24.863 1.00 0.00 H new ATOM 0 HA ILE B 5 95.377 -18.789 27.712 1.00 0.00 H new ATOM 0 HB ILE B 5 93.585 -17.749 25.498 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.385 -16.293 27.493 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.964 -16.842 25.933 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.452 -16.383 27.228 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.191 -18.121 27.507 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.370 -17.228 28.497 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.206 -14.481 25.805 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.179 -15.522 24.791 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.591 -14.964 26.375 1.00 0.00 H new ATOM 918 N ASP B 6 93.151 -20.715 26.258 1.00 0.00 N ATOM 919 CA ASP B 6 92.149 -21.777 26.554 1.00 0.00 C ATOM 920 C ASP B 6 92.813 -22.836 27.434 1.00 0.00 C ATOM 921 O ASP B 6 92.223 -23.348 28.364 1.00 0.00 O ATOM 922 CB ASP B 6 91.680 -22.415 25.243 1.00 0.00 C ATOM 923 CG ASP B 6 90.826 -21.414 24.464 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.123 -20.645 25.099 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.886 -21.436 23.245 1.00 0.00 O ATOM 0 H ASP B 6 93.359 -20.578 25.269 1.00 0.00 H new ATOM 0 HA ASP B 6 91.288 -21.351 27.069 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.540 -22.717 24.646 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.103 -23.316 25.451 1.00 0.00 H new ATOM 930 N LYS B 7 94.046 -23.156 27.150 1.00 0.00 N ATOM 931 CA LYS B 7 94.771 -24.169 27.968 1.00 0.00 C ATOM 932 C LYS B 7 94.906 -23.643 29.397 1.00 0.00 C ATOM 933 O LYS B 7 94.777 -24.377 30.358 1.00 0.00 O ATOM 934 CB LYS B 7 96.166 -24.398 27.373 1.00 0.00 C ATOM 935 CG LYS B 7 96.886 -25.503 28.151 1.00 0.00 C ATOM 936 CD LYS B 7 98.277 -25.726 27.551 1.00 0.00 C ATOM 937 CE LYS B 7 99.004 -26.830 28.324 1.00 0.00 C ATOM 938 NZ LYS B 7 98.312 -28.134 28.105 1.00 0.00 N ATOM 0 H LYS B 7 94.585 -22.757 26.382 1.00 0.00 H new ATOM 0 HA LYS B 7 94.221 -25.110 27.970 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.082 -24.676 26.322 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.745 -23.475 27.414 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.972 -25.226 29.202 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.308 -26.427 28.111 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.190 -26.002 26.500 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.853 -24.801 27.591 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.041 -26.897 27.994 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.023 -26.591 29.387 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.951 -28.913 28.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.458 -28.177 28.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.044 -28.221 27.104 1.00 0.00 H new ATOM 952 N ALA B 8 95.171 -22.375 29.542 1.00 0.00 N ATOM 953 CA ALA B 8 95.325 -21.786 30.901 1.00 0.00 C ATOM 954 C ALA B 8 94.032 -21.973 31.700 1.00 0.00 C ATOM 955 O ALA B 8 94.062 -22.207 32.892 1.00 0.00 O ATOM 956 CB ALA B 8 95.633 -20.294 30.774 1.00 0.00 C ATOM 0 H ALA B 8 95.288 -21.717 28.772 1.00 0.00 H new ATOM 0 HA ALA B 8 96.142 -22.288 31.420 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.746 -19.860 31.767 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.557 -20.160 30.212 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.815 -19.797 30.252 1.00 0.00 H new ATOM 962 N GLN B 9 92.895 -21.877 31.063 1.00 0.00 N ATOM 963 CA GLN B 9 91.619 -22.054 31.812 1.00 0.00 C ATOM 964 C GLN B 9 91.599 -23.453 32.427 1.00 0.00 C ATOM 965 O GLN B 9 91.193 -23.645 33.556 1.00 0.00 O ATOM 966 CB GLN B 9 90.435 -21.913 30.849 1.00 0.00 C ATOM 967 CG GLN B 9 90.303 -20.458 30.395 1.00 0.00 C ATOM 968 CD GLN B 9 89.272 -20.368 29.268 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.993 -21.347 28.605 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.688 -19.227 29.024 1.00 0.00 N ATOM 0 H GLN B 9 92.796 -21.686 30.066 1.00 0.00 H new ATOM 0 HA GLN B 9 91.543 -21.298 32.594 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.579 -22.561 29.985 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.516 -22.235 31.339 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.998 -19.831 31.233 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.267 -20.084 30.051 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.922 -18.405 29.581 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.997 -19.157 28.277 1.00 0.00 H new ATOM 979 N GLU B 10 92.048 -24.430 31.693 1.00 0.00 N ATOM 980 CA GLU B 10 92.074 -25.820 32.224 1.00 0.00 C ATOM 981 C GLU B 10 93.019 -25.901 33.429 1.00 0.00 C ATOM 982 O GLU B 10 92.772 -26.623 34.374 1.00 0.00 O ATOM 983 CB GLU B 10 92.549 -26.774 31.126 1.00 0.00 C ATOM 984 CG GLU B 10 91.464 -26.886 30.052 1.00 0.00 C ATOM 985 CD GLU B 10 91.927 -27.838 28.948 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.091 -28.205 28.959 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.110 -28.184 28.110 1.00 0.00 O ATOM 0 H GLU B 10 92.401 -24.325 30.742 1.00 0.00 H new ATOM 0 HA GLU B 10 91.071 -26.104 32.542 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.477 -26.408 30.686 1.00 0.00 H new ATOM 0 HB3 GLU B 10 92.762 -27.756 31.548 1.00 0.00 H new ATOM 0 HG2 GLU B 10 90.537 -27.251 30.495 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.252 -25.903 29.632 1.00 0.00 H new ATOM 994 N GLU B 11 94.112 -25.181 33.392 1.00 0.00 N ATOM 995 CA GLU B 11 95.091 -25.232 34.526 1.00 0.00 C ATOM 996 C GLU B 11 94.800 -24.123 35.543 1.00 0.00 C ATOM 997 O GLU B 11 95.501 -23.981 36.524 1.00 0.00 O ATOM 998 CB GLU B 11 96.509 -25.043 33.980 1.00 0.00 C ATOM 999 CG GLU B 11 96.872 -26.206 33.052 1.00 0.00 C ATOM 1000 CD GLU B 11 96.913 -27.513 33.849 1.00 0.00 C ATOM 1001 OE1 GLU B 11 97.675 -27.580 34.799 1.00 0.00 O ATOM 1002 OE2 GLU B 11 96.179 -28.421 33.497 1.00 0.00 O ATOM 0 H GLU B 11 94.371 -24.559 32.626 1.00 0.00 H new ATOM 0 HA GLU B 11 95.000 -26.200 35.020 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.576 -24.100 33.438 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.221 -24.989 34.804 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.141 -26.283 32.247 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.840 -26.023 32.586 1.00 0.00 H new ATOM 1009 N CYS B 12 93.781 -23.337 35.329 1.00 0.00 N ATOM 1010 CA CYS B 12 93.475 -22.251 36.306 1.00 0.00 C ATOM 1011 C CYS B 12 93.480 -22.825 37.727 1.00 0.00 C ATOM 1012 O CYS B 12 94.060 -22.262 38.633 1.00 0.00 O ATOM 1013 CB CYS B 12 92.097 -21.659 35.995 1.00 0.00 C ATOM 1014 SG CYS B 12 91.721 -20.348 37.185 1.00 0.00 S ATOM 0 H CYS B 12 93.152 -23.397 34.529 1.00 0.00 H new ATOM 0 HA CYS B 12 94.230 -21.469 36.230 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.081 -21.260 34.981 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.336 -22.438 36.043 1.00 0.00 H new ATOM 1019 N GLU B 13 92.843 -23.948 37.925 1.00 0.00 N ATOM 1020 CA GLU B 13 92.814 -24.567 39.282 1.00 0.00 C ATOM 1021 C GLU B 13 94.243 -24.879 39.738 1.00 0.00 C ATOM 1022 O GLU B 13 94.586 -24.712 40.892 1.00 0.00 O ATOM 1023 CB GLU B 13 91.993 -25.862 39.239 1.00 0.00 C ATOM 1024 CG GLU B 13 91.957 -26.505 40.630 1.00 0.00 C ATOM 1025 CD GLU B 13 91.114 -27.779 40.584 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.472 -28.004 39.571 1.00 0.00 O ATOM 1027 OE2 GLU B 13 91.126 -28.510 41.560 1.00 0.00 O ATOM 0 H GLU B 13 92.340 -24.465 37.203 1.00 0.00 H new ATOM 0 HA GLU B 13 92.356 -23.872 39.985 1.00 0.00 H new ATOM 0 HB2 GLU B 13 90.979 -25.649 38.901 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.429 -26.555 38.520 1.00 0.00 H new ATOM 0 HG2 GLU B 13 92.969 -26.738 40.960 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.539 -25.806 41.354 1.00 0.00 H new ATOM 1034 N LYS B 14 95.075 -25.350 38.849 1.00 0.00 N ATOM 1035 CA LYS B 14 96.472 -25.692 39.243 1.00 0.00 C ATOM 1036 C LYS B 14 97.181 -24.447 39.779 1.00 0.00 C ATOM 1037 O LYS B 14 97.923 -24.514 40.740 1.00 0.00 O ATOM 1038 CB LYS B 14 97.234 -26.240 38.034 1.00 0.00 C ATOM 1039 CG LYS B 14 98.624 -26.702 38.478 1.00 0.00 C ATOM 1040 CD LYS B 14 99.394 -27.252 37.277 1.00 0.00 C ATOM 1041 CE LYS B 14 100.767 -27.742 37.739 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.514 -28.302 36.579 1.00 0.00 N ATOM 0 H LYS B 14 94.848 -25.513 37.868 1.00 0.00 H new ATOM 0 HA LYS B 14 96.445 -26.452 40.024 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.686 -27.072 37.591 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.322 -25.471 37.266 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.170 -25.869 38.921 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.534 -27.470 39.247 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.839 -28.070 36.818 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.508 -26.478 36.518 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.328 -26.919 38.182 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.652 -28.502 38.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.447 -28.635 36.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.981 -29.098 36.175 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.636 -27.565 35.856 1.00 0.00 H new ATOM 1056 N TYR B 15 96.967 -23.311 39.173 1.00 0.00 N ATOM 1057 CA TYR B 15 97.638 -22.072 39.662 1.00 0.00 C ATOM 1058 C TYR B 15 96.824 -21.477 40.808 1.00 0.00 C ATOM 1059 O TYR B 15 97.265 -20.577 41.493 1.00 0.00 O ATOM 1060 CB TYR B 15 97.735 -21.056 38.525 1.00 0.00 C ATOM 1061 CG TYR B 15 98.752 -21.530 37.519 1.00 0.00 C ATOM 1062 CD1 TYR B 15 100.110 -21.260 37.724 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.343 -22.245 36.388 1.00 0.00 C ATOM 1064 CE1 TYR B 15 101.059 -21.703 36.798 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.293 -22.687 35.460 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.652 -22.416 35.665 1.00 0.00 C ATOM 1067 OH TYR B 15 101.589 -22.852 34.750 1.00 0.00 O ATOM 0 H TYR B 15 96.359 -23.187 38.363 1.00 0.00 H new ATOM 0 HA TYR B 15 98.641 -22.316 40.012 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.763 -20.934 38.047 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.022 -20.080 38.917 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.425 -20.709 38.598 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.295 -22.456 36.231 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.107 -21.495 36.957 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.978 -23.237 34.586 1.00 0.00 H new ATOM 0 HH TYR B 15 102.350 -22.235 34.742 1.00 0.00 H new ATOM 1077 N HIS B 16 95.642 -21.985 41.025 1.00 0.00 N ATOM 1078 CA HIS B 16 94.793 -21.472 42.136 1.00 0.00 C ATOM 1079 C HIS B 16 94.519 -19.978 41.942 1.00 0.00 C ATOM 1080 O HIS B 16 94.282 -19.518 40.843 1.00 0.00 O ATOM 1081 CB HIS B 16 95.505 -21.704 43.472 1.00 0.00 C ATOM 1082 CG HIS B 16 96.033 -23.113 43.512 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.404 -24.323 43.676 1.00 0.00 N flip ATOM 1084 CD2 HIS B 16 97.383 -23.404 43.361 1.00 0.00 C flip ATOM 1085 CE1 HIS B 16 96.346 -25.345 43.625 1.00 0.00 C flip ATOM 1086 NE2 HIS B 16 97.520 -24.741 43.435 1.00 0.00 N flip ATOM 0 H HIS B 16 95.226 -22.738 40.477 1.00 0.00 H new ATOM 0 HA HIS B 16 93.842 -22.005 42.136 1.00 0.00 H new ATOM 0 HB2 HIS B 16 96.322 -20.993 43.591 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.815 -21.538 44.299 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.178 -22.688 43.212 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.165 -26.406 43.719 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.411 -25.231 43.356 1.00 0.00 H new ATOM 1095 N SER B 17 94.538 -19.220 43.005 1.00 0.00 N ATOM 1096 CA SER B 17 94.263 -17.758 42.892 1.00 0.00 C ATOM 1097 C SER B 17 95.541 -17.009 42.509 1.00 0.00 C ATOM 1098 O SER B 17 95.536 -15.805 42.343 1.00 0.00 O ATOM 1099 CB SER B 17 93.752 -17.233 44.233 1.00 0.00 C ATOM 1100 OG SER B 17 93.196 -15.938 44.049 1.00 0.00 O ATOM 0 H SER B 17 94.733 -19.551 43.950 1.00 0.00 H new ATOM 0 HA SER B 17 93.511 -17.597 42.120 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.000 -17.910 44.639 1.00 0.00 H new ATOM 0 HB3 SER B 17 94.567 -17.192 44.955 1.00 0.00 H new ATOM 0 HG SER B 17 93.765 -15.421 43.442 1.00 0.00 H new ATOM 1106 N ASN B 18 96.638 -17.701 42.367 1.00 0.00 N ATOM 1107 CA ASN B 18 97.903 -17.008 41.996 1.00 0.00 C ATOM 1108 C ASN B 18 97.904 -16.749 40.490 1.00 0.00 C ATOM 1109 O ASN B 18 98.591 -17.409 39.736 1.00 0.00 O ATOM 1110 CB ASN B 18 99.095 -17.897 42.350 1.00 0.00 C ATOM 1111 CG ASN B 18 99.231 -17.994 43.869 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.735 -17.153 44.592 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.889 -18.994 44.385 1.00 0.00 N ATOM 0 H ASN B 18 96.713 -18.711 42.491 1.00 0.00 H new ATOM 0 HA ASN B 18 97.977 -16.065 42.538 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.960 -18.891 41.923 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.008 -17.487 41.919 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.988 -19.071 45.397 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.305 -19.699 43.777 1.00 0.00 H new ATOM 1120 N TRP B 19 97.134 -15.795 40.047 1.00 0.00 N ATOM 1121 CA TRP B 19 97.084 -15.497 38.590 1.00 0.00 C ATOM 1122 C TRP B 19 98.406 -14.866 38.146 1.00 0.00 C ATOM 1123 O TRP B 19 98.789 -14.954 36.996 1.00 0.00 O ATOM 1124 CB TRP B 19 95.924 -14.541 38.306 1.00 0.00 C ATOM 1125 CG TRP B 19 96.087 -13.283 39.099 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.597 -13.084 40.343 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.774 -12.052 38.728 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.932 -11.808 40.758 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.659 -11.133 39.798 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.478 -11.645 37.580 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.221 -9.857 39.730 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.045 -10.362 37.510 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.915 -9.471 38.583 1.00 0.00 C ATOM 0 H TRP B 19 96.537 -15.209 40.631 1.00 0.00 H new ATOM 0 HA TRP B 19 96.930 -16.422 38.034 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.888 -14.307 37.242 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.978 -15.020 38.559 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.035 -13.804 40.919 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.674 -11.414 41.663 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.583 -12.324 36.747 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.119 -9.173 40.560 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.584 -10.061 36.624 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.352 -8.485 38.522 1.00 0.00 H new ATOM 1144 N ARG B 20 99.109 -14.234 39.045 1.00 0.00 N ATOM 1145 CA ARG B 20 100.407 -13.607 38.669 1.00 0.00 C ATOM 1146 C ARG B 20 101.363 -14.682 38.158 1.00 0.00 C ATOM 1147 O ARG B 20 102.086 -14.482 37.202 1.00 0.00 O ATOM 1148 CB ARG B 20 101.019 -12.938 39.898 1.00 0.00 C ATOM 1149 CG ARG B 20 100.194 -11.710 40.275 1.00 0.00 C ATOM 1150 CD ARG B 20 100.807 -11.042 41.505 1.00 0.00 C ATOM 1151 NE ARG B 20 99.934 -9.917 41.935 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.093 -9.380 43.113 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.025 -9.821 43.913 1.00 0.00 N ATOM 1154 NH2 ARG B 20 99.319 -8.400 43.488 1.00 0.00 N ATOM 0 H ARG B 20 98.841 -14.125 40.023 1.00 0.00 H new ATOM 0 HA ARG B 20 100.239 -12.865 37.889 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.047 -13.640 40.731 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.049 -12.648 39.692 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.167 -11.007 39.442 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.164 -12.000 40.481 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.912 -11.766 42.313 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.807 -10.675 41.274 1.00 0.00 H new ATOM 0 HE ARG B 20 99.210 -9.565 41.308 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.631 -10.587 43.617 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.148 -9.400 44.834 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.592 -8.056 42.861 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.441 -7.978 44.409 1.00 0.00 H new ATOM 1168 N ALA B 21 101.371 -15.822 38.789 1.00 0.00 N ATOM 1169 CA ALA B 21 102.279 -16.913 38.342 1.00 0.00 C ATOM 1170 C ALA B 21 101.851 -17.372 36.949 1.00 0.00 C ATOM 1171 O ALA B 21 102.662 -17.546 36.062 1.00 0.00 O ATOM 1172 CB ALA B 21 102.183 -18.086 39.322 1.00 0.00 C ATOM 0 H ALA B 21 100.788 -16.045 39.595 1.00 0.00 H new ATOM 0 HA ALA B 21 103.308 -16.553 38.311 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.847 -18.887 38.997 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.476 -17.753 40.318 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.157 -18.454 39.350 1.00 0.00 H new ATOM 1178 N MET B 22 100.577 -17.560 36.752 1.00 0.00 N ATOM 1179 CA MET B 22 100.083 -17.997 35.418 1.00 0.00 C ATOM 1180 C MET B 22 100.447 -16.941 34.371 1.00 0.00 C ATOM 1181 O MET B 22 100.937 -17.252 33.306 1.00 0.00 O ATOM 1182 CB MET B 22 98.565 -18.165 35.482 1.00 0.00 C ATOM 1183 CG MET B 22 98.041 -18.632 34.122 1.00 0.00 C ATOM 1184 SD MET B 22 96.270 -18.992 34.250 1.00 0.00 S ATOM 1185 CE MET B 22 95.728 -17.336 34.736 1.00 0.00 C ATOM 0 H MET B 22 99.854 -17.429 37.460 1.00 0.00 H new ATOM 0 HA MET B 22 100.543 -18.946 35.142 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.302 -18.890 36.253 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.096 -17.221 35.759 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.213 -17.862 33.370 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.581 -19.521 33.798 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.686 -17.196 34.449 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.826 -17.223 35.816 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.346 -16.590 34.236 1.00 0.00 H new ATOM 1195 N ALA B 23 100.217 -15.690 34.667 1.00 0.00 N ATOM 1196 CA ALA B 23 100.550 -14.620 33.686 1.00 0.00 C ATOM 1197 C ALA B 23 102.044 -14.684 33.349 1.00 0.00 C ATOM 1198 O ALA B 23 102.444 -14.523 32.212 1.00 0.00 O ATOM 1199 CB ALA B 23 100.224 -13.255 34.295 1.00 0.00 C ATOM 0 H ALA B 23 99.813 -15.364 35.545 1.00 0.00 H new ATOM 0 HA ALA B 23 99.966 -14.763 32.777 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.467 -12.470 33.579 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.162 -13.209 34.538 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.810 -13.112 35.203 1.00 0.00 H new ATOM 1205 N SER B 24 102.870 -14.917 34.331 1.00 0.00 N ATOM 1206 CA SER B 24 104.339 -14.991 34.083 1.00 0.00 C ATOM 1207 C SER B 24 104.659 -16.183 33.178 1.00 0.00 C ATOM 1208 O SER B 24 105.519 -16.111 32.323 1.00 0.00 O ATOM 1209 CB SER B 24 105.074 -15.154 35.416 1.00 0.00 C ATOM 1210 OG SER B 24 104.835 -14.009 36.226 1.00 0.00 O ATOM 0 H SER B 24 102.589 -15.060 35.301 1.00 0.00 H new ATOM 0 HA SER B 24 104.664 -14.073 33.593 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.730 -16.054 35.927 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.143 -15.275 35.243 1.00 0.00 H new ATOM 0 HG SER B 24 103.940 -14.068 36.620 1.00 0.00 H new ATOM 1216 N ASP B 25 103.989 -17.285 33.372 1.00 0.00 N ATOM 1217 CA ASP B 25 104.272 -18.489 32.537 1.00 0.00 C ATOM 1218 C ASP B 25 103.815 -18.259 31.095 1.00 0.00 C ATOM 1219 O ASP B 25 104.486 -18.640 30.157 1.00 0.00 O ATOM 1220 CB ASP B 25 103.524 -19.686 33.120 1.00 0.00 C ATOM 1221 CG ASP B 25 104.164 -20.088 34.450 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.311 -19.733 34.664 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.497 -20.744 35.231 1.00 0.00 O ATOM 0 H ASP B 25 103.257 -17.405 34.072 1.00 0.00 H new ATOM 0 HA ASP B 25 105.345 -18.679 32.538 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.474 -19.434 33.271 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.554 -20.523 32.422 1.00 0.00 H new ATOM 1228 N PHE B 26 102.687 -17.631 30.906 1.00 0.00 N ATOM 1229 CA PHE B 26 102.195 -17.367 29.517 1.00 0.00 C ATOM 1230 C PHE B 26 102.610 -15.953 29.097 1.00 0.00 C ATOM 1231 O PHE B 26 102.337 -15.513 27.997 1.00 0.00 O ATOM 1232 CB PHE B 26 100.670 -17.504 29.478 1.00 0.00 C ATOM 1233 CG PHE B 26 100.289 -18.960 29.650 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.092 -19.488 30.933 1.00 0.00 C ATOM 1235 CD2 PHE B 26 100.130 -19.783 28.526 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.740 -20.833 31.091 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.776 -21.128 28.687 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.583 -21.653 29.968 1.00 0.00 C ATOM 0 H PHE B 26 102.082 -17.288 31.652 1.00 0.00 H new ATOM 0 HA PHE B 26 102.630 -18.089 28.826 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.220 -16.903 30.269 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.284 -17.126 28.531 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.212 -18.856 31.801 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.281 -19.379 27.536 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.589 -21.239 32.081 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.652 -21.761 27.820 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.313 -22.691 30.091 1.00 0.00 H new ATOM 1248 N ASN B 27 103.287 -15.246 29.965 1.00 0.00 N ATOM 1249 CA ASN B 27 103.745 -13.867 29.626 1.00 0.00 C ATOM 1250 C ASN B 27 102.576 -13.029 29.103 1.00 0.00 C ATOM 1251 O ASN B 27 102.687 -12.361 28.094 1.00 0.00 O ATOM 1252 CB ASN B 27 104.838 -13.943 28.559 1.00 0.00 C ATOM 1253 CG ASN B 27 106.029 -14.731 29.109 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.510 -15.650 28.477 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.527 -14.407 30.272 1.00 0.00 N ATOM 0 H ASN B 27 103.543 -15.567 30.899 1.00 0.00 H new ATOM 0 HA ASN B 27 104.139 -13.395 30.526 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.452 -14.425 27.661 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.153 -12.940 28.272 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.320 -14.926 30.650 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.123 -13.635 30.803 1.00 0.00 H new ATOM 1262 N LEU B 28 101.461 -13.052 29.790 1.00 0.00 N ATOM 1263 CA LEU B 28 100.271 -12.251 29.353 1.00 0.00 C ATOM 1264 C LEU B 28 100.037 -11.117 30.363 1.00 0.00 C ATOM 1265 O LEU B 28 100.392 -11.236 31.519 1.00 0.00 O ATOM 1266 CB LEU B 28 99.040 -13.166 29.324 1.00 0.00 C ATOM 1267 CG LEU B 28 99.037 -14.015 28.040 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.134 -15.236 28.244 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.514 -13.190 26.844 1.00 0.00 C ATOM 0 H LEU B 28 101.321 -13.595 30.642 1.00 0.00 H new ATOM 0 HA LEU B 28 100.443 -11.832 28.361 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.041 -13.817 30.199 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.131 -12.566 29.374 1.00 0.00 H new ATOM 0 HG LEU B 28 100.058 -14.333 27.828 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.129 -15.840 27.337 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.511 -15.832 29.075 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.119 -14.905 28.465 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.520 -13.808 25.946 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.497 -12.857 27.049 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.156 -12.323 26.692 1.00 0.00 H new ATOM 1281 N PRO B 29 99.441 -10.023 29.943 1.00 0.00 N ATOM 1282 CA PRO B 29 99.166 -8.869 30.851 1.00 0.00 C ATOM 1283 C PRO B 29 98.011 -9.173 31.832 1.00 0.00 C ATOM 1284 O PRO B 29 97.089 -9.888 31.492 1.00 0.00 O ATOM 1285 CB PRO B 29 98.783 -7.738 29.884 1.00 0.00 C ATOM 1286 CG PRO B 29 98.206 -8.435 28.694 1.00 0.00 C ATOM 1287 CD PRO B 29 98.966 -9.759 28.569 1.00 0.00 C ATOM 0 HA PRO B 29 100.019 -8.624 31.484 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.059 -7.060 30.335 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.652 -7.140 29.610 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.138 -8.609 28.824 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.323 -7.832 27.794 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.319 -10.559 28.208 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.796 -9.679 27.867 1.00 0.00 H new ATOM 1295 N PRO B 30 98.048 -8.638 33.036 1.00 0.00 N ATOM 1296 CA PRO B 30 96.975 -8.872 34.049 1.00 0.00 C ATOM 1297 C PRO B 30 95.564 -8.853 33.440 1.00 0.00 C ATOM 1298 O PRO B 30 94.638 -9.419 33.985 1.00 0.00 O ATOM 1299 CB PRO B 30 97.151 -7.705 35.026 1.00 0.00 C ATOM 1300 CG PRO B 30 98.612 -7.377 34.981 1.00 0.00 C ATOM 1301 CD PRO B 30 99.107 -7.756 33.574 1.00 0.00 C ATOM 0 HA PRO B 30 97.065 -9.855 34.510 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.545 -6.848 34.731 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.840 -7.983 36.033 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.777 -6.318 35.177 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.157 -7.931 35.745 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.244 -6.873 32.950 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.068 -8.269 33.616 1.00 0.00 H new ATOM 1309 N VAL B 31 95.390 -8.194 32.326 1.00 0.00 N ATOM 1310 CA VAL B 31 94.035 -8.129 31.702 1.00 0.00 C ATOM 1311 C VAL B 31 93.547 -9.542 31.371 1.00 0.00 C ATOM 1312 O VAL B 31 92.442 -9.920 31.707 1.00 0.00 O ATOM 1313 CB VAL B 31 94.114 -7.301 30.412 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.802 -7.421 29.623 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.361 -5.831 30.767 1.00 0.00 C ATOM 0 H VAL B 31 96.125 -7.699 31.821 1.00 0.00 H new ATOM 0 HA VAL B 31 93.337 -7.664 32.398 1.00 0.00 H new ATOM 0 HB VAL B 31 94.933 -7.677 29.798 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.871 -6.829 28.710 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.626 -8.466 29.366 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.976 -7.054 30.232 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.418 -5.240 29.853 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.543 -5.464 31.386 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.299 -5.742 31.315 1.00 0.00 H new ATOM 1325 N VAL B 32 94.356 -10.321 30.711 1.00 0.00 N ATOM 1326 CA VAL B 32 93.930 -11.703 30.357 1.00 0.00 C ATOM 1327 C VAL B 32 93.964 -12.595 31.598 1.00 0.00 C ATOM 1328 O VAL B 32 93.092 -13.410 31.812 1.00 0.00 O ATOM 1329 CB VAL B 32 94.875 -12.275 29.304 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.468 -13.717 28.988 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.811 -11.426 28.028 1.00 0.00 C ATOM 0 H VAL B 32 95.293 -10.061 30.402 1.00 0.00 H new ATOM 0 HA VAL B 32 92.914 -11.670 29.963 1.00 0.00 H new ATOM 0 HB VAL B 32 95.895 -12.260 29.687 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.141 -14.129 28.236 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.526 -14.319 29.895 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.447 -13.732 28.608 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.488 -11.840 27.281 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.793 -11.431 27.638 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.106 -10.402 28.257 1.00 0.00 H new ATOM 1341 N ALA B 33 94.976 -12.458 32.412 1.00 0.00 N ATOM 1342 CA ALA B 33 95.070 -13.317 33.625 1.00 0.00 C ATOM 1343 C ALA B 33 93.846 -13.086 34.510 1.00 0.00 C ATOM 1344 O ALA B 33 93.157 -14.013 34.887 1.00 0.00 O ATOM 1345 CB ALA B 33 96.345 -12.959 34.390 1.00 0.00 C ATOM 0 H ALA B 33 95.738 -11.791 32.290 1.00 0.00 H new ATOM 0 HA ALA B 33 95.103 -14.367 33.336 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.423 -13.583 35.280 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.212 -13.128 33.752 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.310 -11.910 34.684 1.00 0.00 H new ATOM 1351 N LYS B 34 93.553 -11.858 34.823 1.00 0.00 N ATOM 1352 CA LYS B 34 92.354 -11.573 35.657 1.00 0.00 C ATOM 1353 C LYS B 34 91.106 -12.083 34.935 1.00 0.00 C ATOM 1354 O LYS B 34 90.202 -12.625 35.540 1.00 0.00 O ATOM 1355 CB LYS B 34 92.243 -10.065 35.891 1.00 0.00 C ATOM 1356 CG LYS B 34 93.366 -9.613 36.825 1.00 0.00 C ATOM 1357 CD LYS B 34 93.261 -8.104 37.063 1.00 0.00 C ATOM 1358 CE LYS B 34 94.371 -7.650 38.019 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.961 -7.942 39.421 1.00 0.00 N ATOM 0 H LYS B 34 94.090 -11.039 34.538 1.00 0.00 H new ATOM 0 HA LYS B 34 92.445 -12.077 36.619 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.308 -9.533 34.942 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.273 -9.824 36.326 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.300 -10.146 37.773 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.335 -9.856 36.389 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.344 -7.571 36.116 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.285 -7.860 37.482 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.302 -8.166 37.785 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.558 -6.583 37.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.711 -7.636 40.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.082 -7.431 39.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.803 -8.964 39.531 1.00 0.00 H new ATOM 1373 N GLU B 35 91.052 -11.905 33.645 1.00 0.00 N ATOM 1374 CA GLU B 35 89.865 -12.367 32.870 1.00 0.00 C ATOM 1375 C GLU B 35 89.711 -13.883 33.008 1.00 0.00 C ATOM 1376 O GLU B 35 88.618 -14.389 33.169 1.00 0.00 O ATOM 1377 CB GLU B 35 90.059 -12.017 31.393 1.00 0.00 C ATOM 1378 CG GLU B 35 88.767 -12.302 30.615 1.00 0.00 C ATOM 1379 CD GLU B 35 88.629 -13.806 30.355 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.633 -14.497 30.413 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.518 -14.242 30.098 1.00 0.00 O ATOM 0 H GLU B 35 91.782 -11.457 33.091 1.00 0.00 H new ATOM 0 HA GLU B 35 88.972 -11.876 33.256 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.331 -10.966 31.292 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.881 -12.600 30.977 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.907 -11.942 31.179 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.776 -11.761 29.669 1.00 0.00 H new ATOM 1388 N ILE B 36 90.790 -14.614 32.949 1.00 0.00 N ATOM 1389 CA ILE B 36 90.684 -16.092 33.081 1.00 0.00 C ATOM 1390 C ILE B 36 90.080 -16.401 34.450 1.00 0.00 C ATOM 1391 O ILE B 36 89.230 -17.257 34.591 1.00 0.00 O ATOM 1392 CB ILE B 36 92.076 -16.715 32.962 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.576 -16.570 31.523 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.012 -18.202 33.318 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.062 -16.925 31.462 1.00 0.00 C ATOM 0 H ILE B 36 91.735 -14.253 32.816 1.00 0.00 H new ATOM 0 HA ILE B 36 90.053 -16.506 32.295 1.00 0.00 H new ATOM 0 HB ILE B 36 92.755 -16.205 33.646 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.007 -17.224 30.861 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.420 -15.549 31.174 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.006 -18.640 33.231 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.653 -18.316 34.341 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.331 -18.710 32.636 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.419 -16.822 30.437 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.624 -16.253 32.111 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.204 -17.953 31.794 1.00 0.00 H new ATOM 1407 N VAL B 37 90.493 -15.678 35.452 1.00 0.00 N ATOM 1408 CA VAL B 37 89.928 -15.886 36.811 1.00 0.00 C ATOM 1409 C VAL B 37 88.453 -15.482 36.779 1.00 0.00 C ATOM 1410 O VAL B 37 87.607 -16.124 37.364 1.00 0.00 O ATOM 1411 CB VAL B 37 90.689 -15.009 37.812 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.970 -15.015 39.166 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.110 -15.557 37.981 1.00 0.00 C ATOM 0 H VAL B 37 91.202 -14.948 35.386 1.00 0.00 H new ATOM 0 HA VAL B 37 90.022 -16.929 37.113 1.00 0.00 H new ATOM 0 HB VAL B 37 90.731 -13.986 37.439 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.517 -14.390 39.871 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.960 -14.625 39.043 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.921 -16.035 39.548 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.657 -14.937 38.692 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.063 -16.581 38.353 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.622 -15.543 37.019 1.00 0.00 H new ATOM 1423 N ALA B 38 88.149 -14.417 36.088 1.00 0.00 N ATOM 1424 CA ALA B 38 86.736 -13.949 35.996 1.00 0.00 C ATOM 1425 C ALA B 38 85.861 -15.052 35.396 1.00 0.00 C ATOM 1426 O ALA B 38 84.656 -15.052 35.551 1.00 0.00 O ATOM 1427 CB ALA B 38 86.670 -12.714 35.097 1.00 0.00 C ATOM 0 H ALA B 38 88.824 -13.847 35.579 1.00 0.00 H new ATOM 0 HA ALA B 38 86.374 -13.702 36.994 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.638 -12.369 35.028 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.289 -11.923 35.520 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.035 -12.968 34.102 1.00 0.00 H new ATOM 1433 N SER B 39 86.453 -15.991 34.704 1.00 0.00 N ATOM 1434 CA SER B 39 85.645 -17.086 34.090 1.00 0.00 C ATOM 1435 C SER B 39 85.484 -18.218 35.101 1.00 0.00 C ATOM 1436 O SER B 39 84.407 -18.749 35.287 1.00 0.00 O ATOM 1437 CB SER B 39 86.365 -17.614 32.849 1.00 0.00 C ATOM 1438 OG SER B 39 86.494 -16.564 31.900 1.00 0.00 O ATOM 0 H SER B 39 87.458 -16.047 34.538 1.00 0.00 H new ATOM 0 HA SER B 39 84.664 -16.704 33.807 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.349 -17.998 33.120 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.807 -18.445 32.416 1.00 0.00 H new ATOM 0 HG SER B 39 87.119 -15.890 32.240 1.00 0.00 H new ATOM 1444 N CYS B 40 86.540 -18.583 35.766 1.00 0.00 N ATOM 1445 CA CYS B 40 86.437 -19.669 36.776 1.00 0.00 C ATOM 1446 C CYS B 40 85.410 -19.259 37.833 1.00 0.00 C ATOM 1447 O CYS B 40 85.460 -18.171 38.366 1.00 0.00 O ATOM 1448 CB CYS B 40 87.802 -19.878 37.434 1.00 0.00 C ATOM 1449 SG CYS B 40 87.817 -21.463 38.308 1.00 0.00 S ATOM 0 H CYS B 40 87.469 -18.177 35.655 1.00 0.00 H new ATOM 0 HA CYS B 40 86.124 -20.598 36.300 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.588 -19.860 36.679 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.010 -19.065 38.130 1.00 0.00 H new ATOM 1454 N ASP B 41 84.474 -20.115 38.137 1.00 0.00 N ATOM 1455 CA ASP B 41 83.448 -19.755 39.155 1.00 0.00 C ATOM 1456 C ASP B 41 84.036 -19.894 40.562 1.00 0.00 C ATOM 1457 O ASP B 41 83.576 -19.273 41.500 1.00 0.00 O ATOM 1458 CB ASP B 41 82.240 -20.684 39.011 1.00 0.00 C ATOM 1459 CG ASP B 41 81.488 -20.352 37.720 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.675 -19.259 37.212 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.730 -21.195 37.265 1.00 0.00 O ATOM 0 H ASP B 41 84.375 -21.044 37.727 1.00 0.00 H new ATOM 0 HA ASP B 41 83.136 -18.722 39.000 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.568 -21.723 38.996 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.577 -20.571 39.869 1.00 0.00 H new ATOM 1466 N LYS B 42 85.038 -20.713 40.722 1.00 0.00 N ATOM 1467 CA LYS B 42 85.642 -20.903 42.073 1.00 0.00 C ATOM 1468 C LYS B 42 86.565 -19.733 42.437 1.00 0.00 C ATOM 1469 O LYS B 42 86.491 -19.192 43.522 1.00 0.00 O ATOM 1470 CB LYS B 42 86.451 -22.200 42.076 1.00 0.00 C ATOM 1471 CG LYS B 42 85.497 -23.397 42.011 1.00 0.00 C ATOM 1472 CD LYS B 42 86.273 -24.651 41.606 1.00 0.00 C ATOM 1473 CE LYS B 42 87.382 -24.922 42.624 1.00 0.00 C ATOM 1474 NZ LYS B 42 87.882 -26.313 42.453 1.00 0.00 N ATOM 0 H LYS B 42 85.466 -21.260 39.975 1.00 0.00 H new ATOM 0 HA LYS B 42 84.840 -20.949 42.809 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.133 -22.218 41.226 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.063 -22.257 42.976 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.021 -23.549 42.980 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.701 -23.202 41.292 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.599 -25.506 41.552 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.702 -24.520 40.613 1.00 0.00 H new ATOM 0 HE2 LYS B 42 88.197 -24.212 42.488 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.003 -24.782 43.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.636 -26.498 43.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.101 -26.983 42.604 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.258 -26.431 41.491 1.00 0.00 H new ATOM 1488 N CYS B 43 87.449 -19.352 41.554 1.00 0.00 N ATOM 1489 CA CYS B 43 88.386 -18.235 41.877 1.00 0.00 C ATOM 1490 C CYS B 43 87.686 -16.880 41.740 1.00 0.00 C ATOM 1491 O CYS B 43 88.028 -15.930 42.416 1.00 0.00 O ATOM 1492 CB CYS B 43 89.591 -18.291 40.936 1.00 0.00 C ATOM 1493 SG CYS B 43 90.508 -19.824 41.229 1.00 0.00 S ATOM 0 H CYS B 43 87.563 -19.763 40.627 1.00 0.00 H new ATOM 0 HA CYS B 43 88.719 -18.347 42.909 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.259 -18.245 39.899 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.238 -17.429 41.103 1.00 0.00 H new ATOM 1498 N GLN B 44 86.720 -16.772 40.872 1.00 0.00 N ATOM 1499 CA GLN B 44 86.027 -15.461 40.707 1.00 0.00 C ATOM 1500 C GLN B 44 85.189 -15.159 41.949 1.00 0.00 C ATOM 1501 O GLN B 44 85.341 -14.130 42.578 1.00 0.00 O ATOM 1502 CB GLN B 44 85.112 -15.510 39.484 1.00 0.00 C ATOM 1503 CG GLN B 44 84.554 -14.111 39.221 1.00 0.00 C ATOM 1504 CD GLN B 44 83.705 -14.128 37.951 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.112 -15.133 37.616 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.624 -13.047 37.225 1.00 0.00 N ATOM 0 H GLN B 44 86.381 -17.526 40.274 1.00 0.00 H new ATOM 0 HA GLN B 44 86.775 -14.680 40.572 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.665 -15.864 38.614 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.297 -16.214 39.652 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.952 -13.783 40.069 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.371 -13.397 39.115 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.123 -12.204 37.508 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.062 -13.045 36.374 1.00 0.00 H new ATOM 1515 N LEU B 45 84.306 -16.046 42.310 1.00 0.00 N ATOM 1516 CA LEU B 45 83.458 -15.813 43.516 1.00 0.00 C ATOM 1517 C LEU B 45 84.204 -16.319 44.754 1.00 0.00 C ATOM 1518 O LEU B 45 84.583 -17.471 44.830 1.00 0.00 O ATOM 1519 CB LEU B 45 82.140 -16.580 43.367 1.00 0.00 C ATOM 1520 CG LEU B 45 81.387 -16.097 42.117 1.00 0.00 C ATOM 1521 CD1 LEU B 45 80.121 -16.943 41.928 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.997 -14.614 42.273 1.00 0.00 C ATOM 0 H LEU B 45 84.133 -16.925 41.822 1.00 0.00 H new ATOM 0 HA LEU B 45 83.248 -14.749 43.620 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.339 -17.649 43.291 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.522 -16.433 44.253 1.00 0.00 H new ATOM 0 HG LEU B 45 82.034 -16.203 41.246 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.585 -16.603 41.042 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.398 -17.990 41.805 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.479 -16.838 42.803 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.464 -14.282 41.382 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.354 -14.497 43.145 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.897 -14.013 42.402 1.00 0.00 H new ATOM 1534 N LYS B 46 84.417 -15.473 45.726 1.00 0.00 N ATOM 1535 CA LYS B 46 85.138 -15.920 46.951 1.00 0.00 C ATOM 1536 C LYS B 46 84.200 -16.779 47.802 1.00 0.00 C ATOM 1537 O LYS B 46 83.029 -16.487 47.940 1.00 0.00 O ATOM 1538 CB LYS B 46 85.584 -14.699 47.765 1.00 0.00 C ATOM 1539 CG LYS B 46 86.557 -13.832 46.951 1.00 0.00 C ATOM 1540 CD LYS B 46 87.945 -14.489 46.892 1.00 0.00 C ATOM 1541 CE LYS B 46 88.958 -13.488 46.331 1.00 0.00 C ATOM 1542 NZ LYS B 46 88.645 -13.212 44.901 1.00 0.00 N ATOM 0 H LYS B 46 84.124 -14.496 45.724 1.00 0.00 H new ATOM 0 HA LYS B 46 86.014 -16.501 46.663 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.714 -14.108 48.051 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.064 -15.026 48.687 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.171 -13.693 45.941 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.636 -12.843 47.402 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.249 -14.812 47.888 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.912 -15.380 46.265 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.927 -12.563 46.906 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.968 -13.887 46.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.415 -12.655 44.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.545 -14.111 44.388 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 87.756 -12.677 44.837 1.00 0.00 H new ATOM 1556 N GLY B 47 84.706 -17.839 48.370 1.00 0.00 N ATOM 1557 CA GLY B 47 83.843 -18.717 49.207 1.00 0.00 C ATOM 1558 C GLY B 47 83.505 -18.009 50.519 1.00 0.00 C ATOM 1559 O GLY B 47 84.066 -18.303 51.556 1.00 0.00 O ATOM 0 H GLY B 47 85.679 -18.134 48.290 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.927 -18.963 48.669 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.355 -19.657 49.412 1.00 0.00 H new ATOM 1563 N GLU B 48 82.585 -17.080 50.488 1.00 0.00 N ATOM 1564 CA GLU B 48 82.208 -16.363 51.740 1.00 0.00 C ATOM 1565 C GLU B 48 80.781 -15.825 51.616 1.00 0.00 C ATOM 1566 O GLU B 48 79.965 -16.023 52.494 1.00 0.00 O ATOM 1567 CB GLU B 48 83.185 -15.208 52.002 1.00 0.00 C ATOM 1568 CG GLU B 48 83.405 -14.392 50.724 1.00 0.00 C ATOM 1569 CD GLU B 48 84.502 -13.355 50.972 1.00 0.00 C ATOM 1570 OE1 GLU B 48 84.388 -12.624 51.943 1.00 0.00 O ATOM 1571 OE2 GLU B 48 85.434 -13.307 50.187 1.00 0.00 O ATOM 0 H GLU B 48 82.080 -16.788 49.651 1.00 0.00 H new ATOM 0 HA GLU B 48 82.257 -17.059 52.578 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.793 -14.564 52.789 1.00 0.00 H new ATOM 0 HB3 GLU B 48 84.137 -15.602 52.357 1.00 0.00 H new ATOM 0 HG2 GLU B 48 83.689 -15.050 49.903 1.00 0.00 H new ATOM 0 HG3 GLU B 48 82.479 -13.897 50.431 1.00 0.00 H new ATOM 1578 N ALA B 49 80.472 -15.162 50.528 1.00 0.00 N ATOM 1579 CA ALA B 49 79.090 -14.613 50.328 1.00 0.00 C ATOM 1580 C ALA B 49 78.533 -14.078 51.655 1.00 0.00 C ATOM 1581 O ALA B 49 79.176 -13.315 52.348 1.00 0.00 O ATOM 1582 CB ALA B 49 78.178 -15.723 49.799 1.00 0.00 C ATOM 0 H ALA B 49 81.121 -14.975 49.764 1.00 0.00 H new ATOM 0 HA ALA B 49 79.131 -13.795 49.609 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.172 -15.329 49.652 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.566 -16.091 48.849 1.00 0.00 H new ATOM 0 HB3 ALA B 49 78.145 -16.541 50.519 1.00 0.00 H new ATOM 1588 N MET B 50 77.345 -14.482 52.013 1.00 0.00 N ATOM 1589 CA MET B 50 76.741 -14.016 53.294 1.00 0.00 C ATOM 1590 C MET B 50 77.411 -14.739 54.463 1.00 0.00 C ATOM 1591 O MET B 50 78.207 -15.638 54.276 1.00 0.00 O ATOM 1592 CB MET B 50 75.246 -14.323 53.309 1.00 0.00 C ATOM 1593 CG MET B 50 74.553 -13.543 52.192 1.00 0.00 C ATOM 1594 SD MET B 50 74.548 -11.775 52.594 1.00 0.00 S ATOM 1595 CE MET B 50 73.154 -11.780 53.755 1.00 0.00 C ATOM 0 H MET B 50 76.763 -15.119 51.469 1.00 0.00 H new ATOM 0 HA MET B 50 76.890 -12.940 53.387 1.00 0.00 H new ATOM 0 HB2 MET B 50 75.082 -15.392 53.176 1.00 0.00 H new ATOM 0 HB3 MET B 50 74.818 -14.053 54.275 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.068 -13.709 51.246 1.00 0.00 H new ATOM 0 HG3 MET B 50 73.531 -13.900 52.066 1.00 0.00 H new ATOM 0 HE1 MET B 50 72.314 -11.240 53.318 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.856 -12.808 53.961 1.00 0.00 H new ATOM 0 HE3 MET B 50 73.453 -11.295 54.685 1.00 0.00 H new ATOM 1605 N HIS B 51 77.098 -14.352 55.668 1.00 0.00 N ATOM 1606 CA HIS B 51 77.716 -15.017 56.848 1.00 0.00 C ATOM 1607 C HIS B 51 77.102 -16.409 57.016 1.00 0.00 C ATOM 1608 O HIS B 51 77.740 -17.329 57.486 1.00 0.00 O ATOM 1609 CB HIS B 51 77.442 -14.183 58.102 1.00 0.00 C ATOM 1610 CG HIS B 51 78.274 -14.698 59.244 1.00 0.00 C ATOM 1611 ND1 HIS B 51 77.872 -15.772 60.027 1.00 0.00 N ATOM 1612 CD2 HIS B 51 79.483 -14.293 59.754 1.00 0.00 C ATOM 1613 CE1 HIS B 51 78.824 -15.974 60.957 1.00 0.00 C ATOM 1614 NE2 HIS B 51 79.825 -15.101 60.832 1.00 0.00 N ATOM 0 H HIS B 51 76.440 -13.603 55.886 1.00 0.00 H new ATOM 0 HA HIS B 51 78.792 -15.106 56.700 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.676 -13.135 57.912 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.384 -14.232 58.359 1.00 0.00 H new ATOM 0 HD1 HIS B 51 77.012 -16.310 59.917 1.00 0.00 H new ATOM 0 HD2 HIS B 51 80.076 -13.474 59.376 1.00 0.00 H new ATOM 0 HE1 HIS B 51 78.783 -16.747 61.711 1.00 0.00 H new ATOM 1623 N GLY B 52 75.866 -16.570 56.627 1.00 0.00 N ATOM 1624 CA GLY B 52 75.207 -17.901 56.753 1.00 0.00 C ATOM 1625 C GLY B 52 74.994 -18.237 58.229 1.00 0.00 C ATOM 1626 O GLY B 52 75.847 -17.989 59.059 1.00 0.00 O ATOM 0 H GLY B 52 75.283 -15.835 56.226 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.250 -17.894 56.231 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.822 -18.667 56.281 1.00 0.00 H new ATOM 1630 N GLN B 53 73.867 -18.806 58.560 1.00 0.00 N ATOM 1631 CA GLN B 53 73.595 -19.167 59.981 1.00 0.00 C ATOM 1632 C GLN B 53 73.814 -17.946 60.877 1.00 0.00 C ATOM 1633 O GLN B 53 74.932 -17.575 61.176 1.00 0.00 O ATOM 1634 CB GLN B 53 74.544 -20.286 60.413 1.00 0.00 C ATOM 1635 CG GLN B 53 74.109 -20.826 61.777 1.00 0.00 C ATOM 1636 CD GLN B 53 75.061 -21.943 62.209 1.00 0.00 C ATOM 1637 OE1 GLN B 53 76.259 -21.833 62.042 1.00 0.00 O ATOM 1638 NE2 GLN B 53 74.576 -23.021 62.763 1.00 0.00 N ATOM 0 H GLN B 53 73.120 -19.037 57.905 1.00 0.00 H new ATOM 0 HA GLN B 53 72.562 -19.504 60.074 1.00 0.00 H new ATOM 0 HB2 GLN B 53 74.539 -21.087 59.674 1.00 0.00 H new ATOM 0 HB3 GLN B 53 75.566 -19.910 60.468 1.00 0.00 H new ATOM 0 HG2 GLN B 53 74.112 -20.024 62.516 1.00 0.00 H new ATOM 0 HG3 GLN B 53 73.088 -21.204 61.722 1.00 0.00 H new ATOM 0 HE21 GLN B 53 73.570 -23.114 62.903 1.00 0.00 H new ATOM 0 HE22 GLN B 53 75.203 -23.770 63.055 1.00 0.00 H new ATOM 1647 N VAL B 54 72.756 -17.320 61.317 1.00 0.00 N ATOM 1648 CA VAL B 54 72.906 -16.125 62.201 1.00 0.00 C ATOM 1649 C VAL B 54 72.920 -16.586 63.659 1.00 0.00 C ATOM 1650 O VAL B 54 72.026 -17.268 64.117 1.00 0.00 O ATOM 1651 CB VAL B 54 71.733 -15.165 61.968 1.00 0.00 C ATOM 1652 CG1 VAL B 54 70.427 -15.806 62.448 1.00 0.00 C ATOM 1653 CG2 VAL B 54 71.978 -13.864 62.739 1.00 0.00 C ATOM 0 H VAL B 54 71.794 -17.583 61.103 1.00 0.00 H new ATOM 0 HA VAL B 54 73.838 -15.608 61.973 1.00 0.00 H new ATOM 0 HB VAL B 54 71.653 -14.950 60.902 1.00 0.00 H new ATOM 0 HG11 VAL B 54 69.600 -15.117 62.278 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.250 -16.729 61.895 1.00 0.00 H new ATOM 0 HG13 VAL B 54 70.501 -16.029 63.512 1.00 0.00 H new ATOM 0 HG21 VAL B 54 71.145 -13.181 62.574 1.00 0.00 H new ATOM 0 HG22 VAL B 54 72.063 -14.082 63.804 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.901 -13.402 62.389 1.00 0.00 H new ATOM 1663 N ASP B 55 73.944 -16.231 64.390 1.00 0.00 N ATOM 1664 CA ASP B 55 74.035 -16.654 65.819 1.00 0.00 C ATOM 1665 C ASP B 55 73.403 -15.583 66.711 1.00 0.00 C ATOM 1666 O ASP B 55 73.894 -14.466 66.699 1.00 0.00 O ATOM 1667 CB ASP B 55 75.507 -16.833 66.198 1.00 0.00 C ATOM 1668 CG ASP B 55 75.604 -17.500 67.572 1.00 0.00 C ATOM 1669 OD1 ASP B 55 74.610 -17.504 68.278 1.00 0.00 O ATOM 1670 OD2 ASP B 55 76.671 -17.996 67.892 1.00 0.00 O ATOM 1671 OXT ASP B 55 72.441 -15.899 67.392 1.00 0.00 O ATOM 0 H ASP B 55 74.724 -15.664 64.058 1.00 0.00 H new ATOM 0 HA ASP B 55 73.504 -17.596 65.957 1.00 0.00 H new ATOM 0 HB2 ASP B 55 76.014 -17.442 65.450 1.00 0.00 H new ATOM 0 HB3 ASP B 55 76.009 -15.866 66.215 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.266 -2.011 35.504 1.00 0.00 CD HETATM 1678 CD CD B 56 90.277 -21.334 39.132 1.00 0.00 CD