USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -1.18 F(o=-4.3!,f=-2.4) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.24 K(o=-2.4,f=-4.4!) USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.228 (180deg=0.0137) USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= -0.18 (180deg=-1.19!) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -91:sc= 0.862 USER MOD Single : A 18 ASN : amide:sc=-0.00267 X(o=-0.0027,f=0) USER MOD Single : A 22 MET CE :methyl -156:sc= -0.116 (180deg=-1.14) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= -0.189 (180deg=-1.09) USER MOD Single : A 39 SER OG : rot 97:sc= 1.21 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.0903 (180deg=-0.584) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.107 K(o=-0.11,f=-0.65) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.226 (180deg=0.0246) USER MOD Single : B 7 LYS NZ :NH3+ 149:sc= -0.253 (180deg=-1.26!) USER MOD Single : B 9 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -91:sc= 0.905 USER MOD Single : B 18 ASN : amide:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : B 22 MET CE :methyl -155:sc= -0.0951 (180deg=-1.17) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0606 X(o=-0.061,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 152:sc= -0.236 (180deg=-1.14) USER MOD Single : B 39 SER OG : rot 113:sc= 1.2 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 155:sc= -0.0711 (180deg=-0.49) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.114 K(o=-0.11,f=-0.66) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.401 -3.606 24.176 1.00 0.00 N ATOM 2 CA PHE A 1 94.200 -4.226 25.520 1.00 0.00 C ATOM 3 C PHE A 1 93.869 -3.134 26.544 1.00 0.00 C ATOM 4 O PHE A 1 92.725 -2.778 26.747 1.00 0.00 O ATOM 5 CB PHE A 1 95.487 -4.937 25.953 1.00 0.00 C ATOM 6 CG PHE A 1 95.645 -6.230 25.190 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.023 -7.396 25.651 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.423 -6.266 24.026 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.174 -8.594 24.945 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.574 -7.464 23.324 1.00 0.00 C ATOM 11 CZ PHE A 1 95.949 -8.627 23.781 1.00 0.00 C ATOM 0 H1 PHE A 1 95.066 -4.184 23.623 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.490 -3.555 23.677 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.787 -2.647 24.290 1.00 0.00 H new ATOM 0 HA PHE A 1 93.381 -4.943 25.465 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.347 -4.292 25.773 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.458 -5.138 27.024 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.427 -7.371 26.551 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.906 -5.368 23.671 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.692 -9.494 25.299 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.175 -7.491 22.427 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.064 -9.552 23.235 1.00 0.00 H new ATOM 23 N LEU A 2 94.870 -2.604 27.190 1.00 0.00 N ATOM 24 CA LEU A 2 94.635 -1.535 28.199 1.00 0.00 C ATOM 25 C LEU A 2 93.977 -0.324 27.523 1.00 0.00 C ATOM 26 O LEU A 2 93.101 0.307 28.079 1.00 0.00 O ATOM 27 CB LEU A 2 95.976 -1.110 28.810 1.00 0.00 C ATOM 28 CG LEU A 2 96.638 -2.299 29.523 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.016 -1.873 30.044 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.762 -2.768 30.702 1.00 0.00 C ATOM 0 H LEU A 2 95.847 -2.868 27.061 1.00 0.00 H new ATOM 0 HA LEU A 2 93.978 -1.914 28.982 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.636 -0.732 28.029 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.819 -0.295 29.517 1.00 0.00 H new ATOM 0 HG LEU A 2 96.749 -3.123 28.818 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.489 -2.714 30.551 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.639 -1.556 29.208 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.900 -1.046 30.744 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.242 -3.611 31.199 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.639 -1.950 31.412 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.785 -3.075 30.330 1.00 0.00 H new ATOM 42 N ASP A 3 94.410 0.016 26.336 1.00 0.00 N ATOM 43 CA ASP A 3 93.825 1.195 25.627 1.00 0.00 C ATOM 44 C ASP A 3 92.356 0.948 25.288 1.00 0.00 C ATOM 45 O ASP A 3 91.493 1.752 25.583 1.00 0.00 O ATOM 46 CB ASP A 3 94.602 1.421 24.328 1.00 0.00 C ATOM 47 CG ASP A 3 94.824 0.075 23.626 1.00 0.00 C ATOM 48 OD1 ASP A 3 95.802 -0.584 23.943 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.009 -0.279 22.790 1.00 0.00 O ATOM 0 H ASP A 3 95.145 -0.473 25.826 1.00 0.00 H new ATOM 0 HA ASP A 3 93.893 2.068 26.276 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.051 2.098 23.675 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.560 1.894 24.542 1.00 0.00 H new ATOM 54 N GLY A 4 92.070 -0.157 24.667 1.00 0.00 N ATOM 55 CA GLY A 4 90.658 -0.457 24.302 1.00 0.00 C ATOM 56 C GLY A 4 89.809 -0.435 25.572 1.00 0.00 C ATOM 57 O GLY A 4 88.663 -0.026 25.571 1.00 0.00 O ATOM 0 H GLY A 4 92.750 -0.867 24.395 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.288 0.278 23.587 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.591 -1.432 23.820 1.00 0.00 H new ATOM 61 N ILE A 5 90.374 -0.869 26.657 1.00 0.00 N ATOM 62 CA ILE A 5 89.636 -0.881 27.944 1.00 0.00 C ATOM 63 C ILE A 5 89.420 0.552 28.418 1.00 0.00 C ATOM 64 O ILE A 5 88.374 0.887 28.930 1.00 0.00 O ATOM 65 CB ILE A 5 90.446 -1.669 28.974 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.387 -3.157 28.610 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.867 -1.453 30.371 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.454 -3.926 29.376 1.00 0.00 C ATOM 0 H ILE A 5 91.330 -1.221 26.708 1.00 0.00 H new ATOM 0 HA ILE A 5 88.663 -1.356 27.815 1.00 0.00 H new ATOM 0 HB ILE A 5 91.481 -1.326 28.970 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.401 -3.558 28.844 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.536 -3.283 27.538 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.450 -2.018 31.098 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.905 -0.393 30.621 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.832 -1.794 30.393 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.403 -4.982 29.110 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.439 -3.534 29.121 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.285 -3.813 30.447 1.00 0.00 H new ATOM 80 N ASP A 6 90.401 1.401 28.266 1.00 0.00 N ATOM 81 CA ASP A 6 90.230 2.809 28.725 1.00 0.00 C ATOM 82 C ASP A 6 89.063 3.457 27.988 1.00 0.00 C ATOM 83 O ASP A 6 88.197 4.062 28.587 1.00 0.00 O ATOM 84 CB ASP A 6 91.509 3.601 28.445 1.00 0.00 C ATOM 85 CG ASP A 6 91.326 5.045 28.920 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.707 5.810 28.196 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.811 5.361 29.998 1.00 0.00 O ATOM 0 H ASP A 6 91.305 1.183 27.848 1.00 0.00 H new ATOM 0 HA ASP A 6 90.026 2.811 29.796 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.354 3.142 28.958 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.735 3.583 27.379 1.00 0.00 H new ATOM 92 N LYS A 7 89.022 3.334 26.693 1.00 0.00 N ATOM 93 CA LYS A 7 87.894 3.945 25.935 1.00 0.00 C ATOM 94 C LYS A 7 86.597 3.216 26.299 1.00 0.00 C ATOM 95 O LYS A 7 85.561 3.824 26.483 1.00 0.00 O ATOM 96 CB LYS A 7 88.161 3.805 24.430 1.00 0.00 C ATOM 97 CG LYS A 7 89.444 4.548 24.037 1.00 0.00 C ATOM 98 CD LYS A 7 89.234 6.066 24.127 1.00 0.00 C ATOM 99 CE LYS A 7 90.325 6.788 23.332 1.00 0.00 C ATOM 100 NZ LYS A 7 90.247 6.393 21.894 1.00 0.00 N ATOM 0 H LYS A 7 89.714 2.841 26.128 1.00 0.00 H new ATOM 0 HA LYS A 7 87.803 5.001 26.188 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.250 2.751 24.168 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.317 4.203 23.867 1.00 0.00 H new ATOM 0 HG2 LYS A 7 90.261 4.248 24.694 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.734 4.274 23.022 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.251 6.330 23.736 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.259 6.385 25.169 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.205 7.867 23.429 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.307 6.539 23.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.611 7.166 21.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.818 5.538 21.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.257 6.199 21.640 1.00 0.00 H new ATOM 114 N ALA A 8 86.650 1.919 26.420 1.00 0.00 N ATOM 115 CA ALA A 8 85.428 1.152 26.790 1.00 0.00 C ATOM 116 C ALA A 8 85.067 1.426 28.252 1.00 0.00 C ATOM 117 O ALA A 8 83.908 1.487 28.615 1.00 0.00 O ATOM 118 CB ALA A 8 85.684 -0.343 26.605 1.00 0.00 C ATOM 0 H ALA A 8 87.489 1.356 26.278 1.00 0.00 H new ATOM 0 HA ALA A 8 84.604 1.464 26.148 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.788 -0.902 26.876 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.935 -0.543 25.563 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.512 -0.652 27.243 1.00 0.00 H new ATOM 124 N GLN A 9 86.050 1.568 29.095 1.00 0.00 N ATOM 125 CA GLN A 9 85.765 1.809 30.536 1.00 0.00 C ATOM 126 C GLN A 9 85.022 3.135 30.712 1.00 0.00 C ATOM 127 O GLN A 9 85.470 4.177 30.271 1.00 0.00 O ATOM 128 CB GLN A 9 87.088 1.847 31.304 1.00 0.00 C ATOM 129 CG GLN A 9 86.825 2.037 32.805 1.00 0.00 C ATOM 130 CD GLN A 9 88.160 2.069 33.555 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.258 1.745 32.927 1.00 0.00 O flip ATOM 132 NE2 GLN A 9 88.206 2.388 34.726 1.00 0.00 N flip ATOM 0 H GLN A 9 87.039 1.528 28.849 1.00 0.00 H new ATOM 0 HA GLN A 9 85.137 1.006 30.922 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.640 0.922 31.138 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.710 2.660 30.931 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.277 2.964 32.975 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.203 1.225 33.182 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.350 2.642 35.219 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.101 2.402 35.216 1.00 0.00 H new ATOM 141 N GLU A 10 83.885 3.094 31.357 1.00 0.00 N ATOM 142 CA GLU A 10 83.078 4.338 31.579 1.00 0.00 C ATOM 143 C GLU A 10 82.261 4.187 32.868 1.00 0.00 C ATOM 144 O GLU A 10 82.502 3.302 33.672 1.00 0.00 O ATOM 145 CB GLU A 10 82.116 4.555 30.404 1.00 0.00 C ATOM 146 CG GLU A 10 82.892 4.986 29.157 1.00 0.00 C ATOM 147 CD GLU A 10 81.905 5.281 28.029 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.991 6.056 28.261 1.00 0.00 O ATOM 149 OE2 GLU A 10 82.083 4.731 26.953 1.00 0.00 O ATOM 0 H GLU A 10 83.475 2.244 31.744 1.00 0.00 H new ATOM 0 HA GLU A 10 83.752 5.191 31.659 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.567 3.636 30.200 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.379 5.315 30.663 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.490 5.871 29.374 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.584 4.200 28.855 1.00 0.00 H new ATOM 156 N GLU A 11 81.288 5.037 33.068 1.00 0.00 N ATOM 157 CA GLU A 11 80.447 4.934 34.298 1.00 0.00 C ATOM 158 C GLU A 11 79.494 3.743 34.153 1.00 0.00 C ATOM 159 O GLU A 11 79.209 3.300 33.057 1.00 0.00 O ATOM 160 CB GLU A 11 79.633 6.219 34.469 1.00 0.00 C ATOM 161 CG GLU A 11 80.574 7.374 34.821 1.00 0.00 C ATOM 162 CD GLU A 11 81.137 7.170 36.231 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.380 6.761 37.096 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.313 7.423 36.421 1.00 0.00 O ATOM 0 H GLU A 11 81.039 5.797 32.434 1.00 0.00 H new ATOM 0 HA GLU A 11 81.086 4.792 35.170 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.091 6.444 33.551 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.889 6.089 35.255 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.388 7.426 34.098 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.038 8.322 34.766 1.00 0.00 H new ATOM 171 N HIS A 12 79.002 3.212 35.243 1.00 0.00 N ATOM 172 CA HIS A 12 78.078 2.042 35.144 1.00 0.00 C ATOM 173 C HIS A 12 76.783 2.455 34.439 1.00 0.00 C ATOM 174 O HIS A 12 75.724 2.519 35.031 1.00 0.00 O ATOM 175 CB HIS A 12 77.751 1.513 36.541 1.00 0.00 C ATOM 176 CG HIS A 12 76.811 0.345 36.422 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.253 -0.946 36.143 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.446 0.250 36.548 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.167 -1.753 36.117 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.046 -1.070 36.355 1.00 0.00 N ATOM 0 H HIS A 12 79.198 3.535 36.191 1.00 0.00 H new ATOM 0 HA HIS A 12 78.568 1.257 34.567 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.665 1.208 37.050 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.297 2.300 37.144 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.783 1.075 36.764 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.203 -2.816 35.928 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.095 -1.438 36.389 1.00 0.00 H new ATOM 188 N GLU A 13 76.871 2.721 33.168 1.00 0.00 N ATOM 189 CA GLU A 13 75.668 3.119 32.385 1.00 0.00 C ATOM 190 C GLU A 13 74.872 1.863 32.033 1.00 0.00 C ATOM 191 O GLU A 13 75.249 0.763 32.378 1.00 0.00 O ATOM 192 CB GLU A 13 76.117 3.841 31.110 1.00 0.00 C ATOM 193 CG GLU A 13 74.909 4.453 30.382 1.00 0.00 C ATOM 194 CD GLU A 13 75.382 5.572 29.449 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.158 6.403 29.900 1.00 0.00 O ATOM 196 OE2 GLU A 13 74.962 5.579 28.302 1.00 0.00 O ATOM 0 H GLU A 13 77.737 2.679 32.630 1.00 0.00 H new ATOM 0 HA GLU A 13 75.038 3.791 32.968 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.832 4.624 31.362 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.630 3.141 30.450 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.389 3.685 29.810 1.00 0.00 H new ATOM 0 HG3 GLU A 13 74.197 4.847 31.107 1.00 0.00 H new ATOM 203 N LYS A 14 73.779 2.012 31.343 1.00 0.00 N ATOM 204 CA LYS A 14 72.967 0.822 30.966 1.00 0.00 C ATOM 205 C LYS A 14 73.785 -0.074 30.027 1.00 0.00 C ATOM 206 O LYS A 14 73.580 -1.272 29.963 1.00 0.00 O ATOM 207 CB LYS A 14 71.687 1.272 30.257 1.00 0.00 C ATOM 208 CG LYS A 14 70.789 2.030 31.239 1.00 0.00 C ATOM 209 CD LYS A 14 69.513 2.469 30.517 1.00 0.00 C ATOM 210 CE LYS A 14 68.607 3.251 31.476 1.00 0.00 C ATOM 211 NZ LYS A 14 67.897 2.303 32.386 1.00 0.00 N ATOM 0 H LYS A 14 73.411 2.908 31.022 1.00 0.00 H new ATOM 0 HA LYS A 14 72.702 0.265 31.865 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.935 1.911 29.410 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.157 0.406 29.859 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.540 1.394 32.088 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.315 2.899 31.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.767 3.089 29.658 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.984 1.596 30.135 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.201 3.954 32.060 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.883 3.838 30.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.284 2.837 33.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.318 1.649 31.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.594 1.762 32.936 1.00 0.00 H new ATOM 225 N TYR A 15 74.721 0.487 29.304 1.00 0.00 N ATOM 226 CA TYR A 15 75.549 -0.348 28.381 1.00 0.00 C ATOM 227 C TYR A 15 76.286 -1.413 29.192 1.00 0.00 C ATOM 228 O TYR A 15 76.562 -2.493 28.708 1.00 0.00 O ATOM 229 CB TYR A 15 76.561 0.531 27.634 1.00 0.00 C ATOM 230 CG TYR A 15 75.865 1.256 26.507 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.257 2.494 26.740 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.822 0.686 25.229 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.607 3.163 25.695 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.173 1.354 24.185 1.00 0.00 C ATOM 235 CZ TYR A 15 74.564 2.593 24.417 1.00 0.00 C ATOM 236 OH TYR A 15 73.925 3.250 23.387 1.00 0.00 O ATOM 0 H TYR A 15 74.947 1.482 29.312 1.00 0.00 H new ATOM 0 HA TYR A 15 74.899 -0.828 27.650 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.010 1.249 28.320 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.371 -0.083 27.240 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.289 2.934 27.726 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.290 -0.270 25.049 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.139 4.119 25.875 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.142 0.914 23.199 1.00 0.00 H new ATOM 0 HH TYR A 15 73.990 2.716 22.568 1.00 0.00 H new ATOM 246 N HIS A 16 76.602 -1.128 30.423 1.00 0.00 N ATOM 247 CA HIS A 16 77.311 -2.143 31.246 1.00 0.00 C ATOM 248 C HIS A 16 76.426 -3.390 31.335 1.00 0.00 C ATOM 249 O HIS A 16 76.910 -4.505 31.303 1.00 0.00 O ATOM 250 CB HIS A 16 77.576 -1.588 32.659 1.00 0.00 C ATOM 251 CG HIS A 16 78.855 -0.795 32.674 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.655 -0.703 33.810 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.489 -0.059 31.702 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.716 0.070 33.492 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.659 0.484 32.220 1.00 0.00 N ATOM 0 H HIS A 16 76.402 -0.244 30.891 1.00 0.00 H new ATOM 0 HA HIS A 16 78.269 -2.391 30.789 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.744 -0.957 32.972 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.640 -2.408 33.374 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.133 0.077 30.691 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.511 0.323 34.178 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.333 1.074 31.733 1.00 0.00 H new ATOM 263 N SER A 17 75.134 -3.220 31.433 1.00 0.00 N ATOM 264 CA SER A 17 74.249 -4.411 31.513 1.00 0.00 C ATOM 265 C SER A 17 74.448 -5.250 30.248 1.00 0.00 C ATOM 266 O SER A 17 74.630 -6.449 30.318 1.00 0.00 O ATOM 267 CB SER A 17 72.793 -3.959 31.612 1.00 0.00 C ATOM 268 OG SER A 17 72.404 -3.344 30.389 1.00 0.00 O ATOM 0 H SER A 17 74.660 -2.317 31.461 1.00 0.00 H new ATOM 0 HA SER A 17 74.495 -5.004 32.394 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.149 -4.813 31.823 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.674 -3.258 32.438 1.00 0.00 H new ATOM 0 HG SER A 17 72.572 -2.380 30.440 1.00 0.00 H new ATOM 274 N ASN A 18 74.448 -4.628 29.093 1.00 0.00 N ATOM 275 CA ASN A 18 74.671 -5.393 27.829 1.00 0.00 C ATOM 276 C ASN A 18 76.162 -5.339 27.476 1.00 0.00 C ATOM 277 O ASN A 18 76.603 -4.481 26.737 1.00 0.00 O ATOM 278 CB ASN A 18 73.856 -4.775 26.692 1.00 0.00 C ATOM 279 CG ASN A 18 72.369 -4.830 27.040 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.710 -3.811 27.087 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.808 -5.982 27.284 1.00 0.00 N ATOM 0 H ASN A 18 74.303 -3.625 28.973 1.00 0.00 H new ATOM 0 HA ASN A 18 74.355 -6.427 27.968 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.164 -3.742 26.530 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.043 -5.313 25.763 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.815 -6.027 27.514 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.362 -6.838 27.244 1.00 0.00 H new ATOM 288 N TRP A 19 76.942 -6.253 27.991 1.00 0.00 N ATOM 289 CA TRP A 19 78.400 -6.248 27.681 1.00 0.00 C ATOM 290 C TRP A 19 78.613 -6.639 26.215 1.00 0.00 C ATOM 291 O TRP A 19 79.590 -6.265 25.600 1.00 0.00 O ATOM 292 CB TRP A 19 79.138 -7.225 28.603 1.00 0.00 C ATOM 293 CG TRP A 19 78.670 -8.623 28.361 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.748 -9.275 29.108 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.085 -9.554 27.320 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.577 -10.549 28.597 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.377 -10.769 27.492 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.999 -9.468 26.254 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.568 -11.855 26.640 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.192 -10.560 25.395 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.480 -11.751 25.588 1.00 0.00 C ATOM 0 H TRP A 19 76.632 -7.001 28.612 1.00 0.00 H new ATOM 0 HA TRP A 19 78.799 -5.247 27.846 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.212 -7.159 28.429 1.00 0.00 H new ATOM 0 HB3 TRP A 19 78.967 -6.952 29.644 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.230 -8.867 29.963 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.938 -11.241 28.988 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.555 -8.556 26.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.015 -12.770 26.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.895 -10.482 24.579 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.636 -12.588 24.924 1.00 0.00 H new ATOM 312 N ARG A 20 77.701 -7.382 25.651 1.00 0.00 N ATOM 313 CA ARG A 20 77.841 -7.787 24.223 1.00 0.00 C ATOM 314 C ARG A 20 77.882 -6.546 23.333 1.00 0.00 C ATOM 315 O ARG A 20 78.636 -6.483 22.381 1.00 0.00 O ATOM 316 CB ARG A 20 76.660 -8.667 23.814 1.00 0.00 C ATOM 317 CG ARG A 20 76.769 -10.021 24.516 1.00 0.00 C ATOM 318 CD ARG A 20 75.591 -10.914 24.116 1.00 0.00 C ATOM 319 NE ARG A 20 75.654 -12.185 24.893 1.00 0.00 N ATOM 320 CZ ARG A 20 74.616 -12.977 24.937 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.524 -12.659 24.293 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.671 -14.088 25.622 1.00 0.00 N ATOM 0 H ARG A 20 76.863 -7.727 26.118 1.00 0.00 H new ATOM 0 HA ARG A 20 78.768 -8.348 24.104 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.721 -8.181 24.080 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.652 -8.805 22.733 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.709 -10.504 24.249 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.779 -9.880 25.597 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.649 -10.402 24.310 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.625 -11.125 23.047 1.00 0.00 H new ATOM 0 HE ARG A 20 76.508 -12.436 25.391 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.482 -11.793 23.756 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.713 -13.277 24.327 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.524 -14.337 26.122 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.861 -14.707 25.657 1.00 0.00 H new ATOM 336 N ALA A 21 77.076 -5.560 23.623 1.00 0.00 N ATOM 337 CA ALA A 21 77.082 -4.330 22.779 1.00 0.00 C ATOM 338 C ALA A 21 78.472 -3.696 22.819 1.00 0.00 C ATOM 339 O ALA A 21 78.990 -3.237 21.819 1.00 0.00 O ATOM 340 CB ALA A 21 76.060 -3.332 23.324 1.00 0.00 C ATOM 0 H ALA A 21 76.418 -5.552 24.402 1.00 0.00 H new ATOM 0 HA ALA A 21 76.826 -4.593 21.753 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.064 -2.433 22.707 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.067 -3.781 23.304 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.319 -3.069 24.350 1.00 0.00 H new ATOM 346 N MET A 22 79.085 -3.670 23.969 1.00 0.00 N ATOM 347 CA MET A 22 80.440 -3.067 24.069 1.00 0.00 C ATOM 348 C MET A 22 81.398 -3.833 23.158 1.00 0.00 C ATOM 349 O MET A 22 82.183 -3.256 22.434 1.00 0.00 O ATOM 350 CB MET A 22 80.941 -3.171 25.510 1.00 0.00 C ATOM 351 CG MET A 22 82.222 -2.346 25.683 1.00 0.00 C ATOM 352 SD MET A 22 83.099 -2.913 27.162 1.00 0.00 S ATOM 353 CE MET A 22 81.744 -2.690 28.336 1.00 0.00 C ATOM 0 H MET A 22 78.707 -4.040 24.841 1.00 0.00 H new ATOM 0 HA MET A 22 80.394 -2.020 23.770 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.174 -2.814 26.197 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.134 -4.214 25.762 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.859 -2.452 24.805 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.978 -1.288 25.774 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.149 -2.566 29.340 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.169 -1.805 28.064 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.095 -3.565 28.313 1.00 0.00 H new ATOM 363 N ALA A 23 81.339 -5.132 23.195 1.00 0.00 N ATOM 364 CA ALA A 23 82.244 -5.941 22.337 1.00 0.00 C ATOM 365 C ALA A 23 81.934 -5.658 20.863 1.00 0.00 C ATOM 366 O ALA A 23 82.819 -5.523 20.044 1.00 0.00 O ATOM 367 CB ALA A 23 82.026 -7.431 22.639 1.00 0.00 C ATOM 0 H ALA A 23 80.702 -5.670 23.783 1.00 0.00 H new ATOM 0 HA ALA A 23 83.282 -5.678 22.542 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.687 -8.030 22.013 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.246 -7.625 23.689 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.990 -7.697 22.430 1.00 0.00 H new ATOM 373 N SER A 24 80.678 -5.581 20.521 1.00 0.00 N ATOM 374 CA SER A 24 80.299 -5.321 19.101 1.00 0.00 C ATOM 375 C SER A 24 80.691 -3.898 18.704 1.00 0.00 C ATOM 376 O SER A 24 81.145 -3.648 17.608 1.00 0.00 O ATOM 377 CB SER A 24 78.793 -5.500 18.932 1.00 0.00 C ATOM 378 OG SER A 24 78.441 -5.214 17.583 1.00 0.00 O ATOM 0 H SER A 24 79.894 -5.687 21.165 1.00 0.00 H new ATOM 0 HA SER A 24 80.825 -6.027 18.459 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.504 -6.519 19.189 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.257 -4.836 19.610 1.00 0.00 H new ATOM 0 HG SER A 24 77.475 -5.328 17.466 1.00 0.00 H new ATOM 384 N ASP A 25 80.493 -2.960 19.588 1.00 0.00 N ATOM 385 CA ASP A 25 80.835 -1.545 19.267 1.00 0.00 C ATOM 386 C ASP A 25 82.329 -1.421 18.959 1.00 0.00 C ATOM 387 O ASP A 25 82.724 -0.710 18.058 1.00 0.00 O ATOM 388 CB ASP A 25 80.498 -0.657 20.466 1.00 0.00 C ATOM 389 CG ASP A 25 78.980 -0.560 20.623 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.320 -0.283 19.633 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.507 -0.763 21.728 1.00 0.00 O ATOM 0 H ASP A 25 80.109 -3.112 20.520 1.00 0.00 H new ATOM 0 HA ASP A 25 80.260 -1.231 18.396 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.942 -1.069 21.372 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.923 0.337 20.326 1.00 0.00 H new ATOM 396 N PHE A 26 83.157 -2.111 19.695 1.00 0.00 N ATOM 397 CA PHE A 26 84.633 -2.039 19.457 1.00 0.00 C ATOM 398 C PHE A 26 85.094 -3.283 18.691 1.00 0.00 C ATOM 399 O PHE A 26 86.267 -3.457 18.428 1.00 0.00 O ATOM 400 CB PHE A 26 85.351 -1.960 20.804 1.00 0.00 C ATOM 401 CG PHE A 26 85.100 -0.601 21.415 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.964 -0.382 22.206 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.002 0.444 21.188 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.732 0.881 22.766 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.772 1.706 21.749 1.00 0.00 C ATOM 406 CZ PHE A 26 84.637 1.926 22.539 1.00 0.00 C ATOM 0 H PHE A 26 82.875 -2.727 20.457 1.00 0.00 H new ATOM 0 HA PHE A 26 84.869 -1.154 18.866 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.991 -2.745 21.469 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.421 -2.121 20.671 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.267 -1.187 22.384 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.878 0.277 20.579 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.855 1.049 23.373 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.471 2.510 21.572 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.460 2.899 22.972 1.00 0.00 H new ATOM 416 N ASN A 27 84.180 -4.143 18.322 1.00 0.00 N ATOM 417 CA ASN A 27 84.566 -5.371 17.557 1.00 0.00 C ATOM 418 C ASN A 27 85.629 -6.159 18.330 1.00 0.00 C ATOM 419 O ASN A 27 86.583 -6.645 17.759 1.00 0.00 O ATOM 420 CB ASN A 27 85.116 -4.975 16.181 1.00 0.00 C ATOM 421 CG ASN A 27 84.032 -4.222 15.407 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.236 -3.099 14.990 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.880 -4.799 15.197 1.00 0.00 N ATOM 0 H ASN A 27 83.183 -4.050 18.516 1.00 0.00 H new ATOM 0 HA ASN A 27 83.684 -5.997 17.426 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.000 -4.348 16.296 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.424 -5.863 15.629 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.150 -4.307 14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.710 -5.742 15.548 1.00 0.00 H new ATOM 430 N LEU A 28 85.467 -6.293 19.622 1.00 0.00 N ATOM 431 CA LEU A 28 86.461 -7.054 20.445 1.00 0.00 C ATOM 432 C LEU A 28 85.778 -8.320 20.964 1.00 0.00 C ATOM 433 O LEU A 28 84.583 -8.328 21.162 1.00 0.00 O ATOM 434 CB LEU A 28 86.890 -6.179 21.629 1.00 0.00 C ATOM 435 CG LEU A 28 87.726 -4.999 21.122 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.860 -3.961 22.240 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.126 -5.473 20.681 1.00 0.00 C ATOM 0 H LEU A 28 84.683 -5.906 20.148 1.00 0.00 H new ATOM 0 HA LEU A 28 87.337 -7.318 19.852 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.012 -5.813 22.161 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.469 -6.769 22.339 1.00 0.00 H new ATOM 0 HG LEU A 28 87.226 -4.555 20.261 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.454 -3.119 21.885 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.870 -3.610 22.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.352 -4.415 23.101 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.703 -4.620 20.324 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.639 -5.930 21.527 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.027 -6.204 19.879 1.00 0.00 H new ATOM 449 N PRO A 29 86.511 -9.387 21.180 1.00 0.00 N ATOM 450 CA PRO A 29 85.916 -10.661 21.678 1.00 0.00 C ATOM 451 C PRO A 29 85.428 -10.534 23.135 1.00 0.00 C ATOM 452 O PRO A 29 86.007 -9.803 23.918 1.00 0.00 O ATOM 453 CB PRO A 29 87.075 -11.667 21.572 1.00 0.00 C ATOM 454 CG PRO A 29 88.310 -10.831 21.668 1.00 0.00 C ATOM 455 CD PRO A 29 87.966 -9.508 20.982 1.00 0.00 C ATOM 0 HA PRO A 29 85.036 -10.958 21.107 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.033 -12.406 22.372 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.039 -12.215 20.630 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.595 -10.671 22.708 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.153 -11.319 21.178 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.503 -8.672 21.430 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.227 -9.525 19.924 1.00 0.00 H new ATOM 463 N PRO A 30 84.377 -11.238 23.499 1.00 0.00 N ATOM 464 CA PRO A 30 83.830 -11.195 24.881 1.00 0.00 C ATOM 465 C PRO A 30 84.936 -11.169 25.945 1.00 0.00 C ATOM 466 O PRO A 30 84.708 -10.801 27.078 1.00 0.00 O ATOM 467 CB PRO A 30 83.014 -12.494 24.985 1.00 0.00 C ATOM 468 CG PRO A 30 82.568 -12.795 23.583 1.00 0.00 C ATOM 469 CD PRO A 30 83.591 -12.145 22.637 1.00 0.00 C ATOM 0 HA PRO A 30 83.243 -10.294 25.058 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.618 -13.307 25.389 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.160 -12.370 25.651 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.518 -13.871 23.417 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.569 -12.398 23.402 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.227 -12.895 22.167 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.096 -11.598 21.834 1.00 0.00 H new ATOM 477 N VAL A 31 86.121 -11.582 25.589 1.00 0.00 N ATOM 478 CA VAL A 31 87.229 -11.614 26.584 1.00 0.00 C ATOM 479 C VAL A 31 87.494 -10.220 27.140 1.00 0.00 C ATOM 480 O VAL A 31 87.570 -10.032 28.341 1.00 0.00 O ATOM 481 CB VAL A 31 88.496 -12.139 25.891 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.724 -11.956 26.800 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.313 -13.627 25.571 1.00 0.00 C ATOM 0 H VAL A 31 86.370 -11.899 24.652 1.00 0.00 H new ATOM 0 HA VAL A 31 86.950 -12.266 27.411 1.00 0.00 H new ATOM 0 HB VAL A 31 88.657 -11.576 24.972 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.612 -12.333 26.293 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.856 -10.897 27.024 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.575 -12.507 27.728 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.209 -14.006 25.079 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.145 -14.180 26.495 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.455 -13.754 24.911 1.00 0.00 H new ATOM 493 N VAL A 32 87.651 -9.247 26.298 1.00 0.00 N ATOM 494 CA VAL A 32 87.930 -7.880 26.812 1.00 0.00 C ATOM 495 C VAL A 32 86.698 -7.345 27.544 1.00 0.00 C ATOM 496 O VAL A 32 86.797 -6.746 28.597 1.00 0.00 O ATOM 497 CB VAL A 32 88.297 -6.967 25.638 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.353 -5.510 26.110 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.668 -7.379 25.094 1.00 0.00 C ATOM 0 H VAL A 32 87.599 -9.334 25.283 1.00 0.00 H new ATOM 0 HA VAL A 32 88.764 -7.909 27.513 1.00 0.00 H new ATOM 0 HB VAL A 32 87.544 -7.060 24.856 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.614 -4.865 25.271 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.379 -5.217 26.503 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.105 -5.410 26.893 1.00 0.00 H new ATOM 0 HG21 VAL A 32 89.937 -6.734 24.258 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.416 -7.283 25.881 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.629 -8.414 24.755 1.00 0.00 H new ATOM 509 N ALA A 33 85.537 -7.554 26.996 1.00 0.00 N ATOM 510 CA ALA A 33 84.302 -7.056 27.662 1.00 0.00 C ATOM 511 C ALA A 33 84.099 -7.789 28.995 1.00 0.00 C ATOM 512 O ALA A 33 83.718 -7.197 29.986 1.00 0.00 O ATOM 513 CB ALA A 33 83.097 -7.287 26.742 1.00 0.00 C ATOM 0 H ALA A 33 85.388 -8.048 26.116 1.00 0.00 H new ATOM 0 HA ALA A 33 84.400 -5.989 27.860 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.192 -6.923 27.229 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.246 -6.750 25.805 1.00 0.00 H new ATOM 0 HB3 ALA A 33 82.995 -8.353 26.537 1.00 0.00 H new ATOM 519 N LYS A 34 84.360 -9.072 29.030 1.00 0.00 N ATOM 520 CA LYS A 34 84.183 -9.834 30.301 1.00 0.00 C ATOM 521 C LYS A 34 85.107 -9.275 31.385 1.00 0.00 C ATOM 522 O LYS A 34 84.732 -9.182 32.536 1.00 0.00 O ATOM 523 CB LYS A 34 84.496 -11.320 30.056 1.00 0.00 C ATOM 524 CG LYS A 34 83.351 -11.987 29.266 1.00 0.00 C ATOM 525 CD LYS A 34 82.215 -12.404 30.213 1.00 0.00 C ATOM 526 CE LYS A 34 81.199 -13.260 29.449 1.00 0.00 C ATOM 527 NZ LYS A 34 81.878 -14.462 28.888 1.00 0.00 N ATOM 0 H LYS A 34 84.687 -9.622 28.235 1.00 0.00 H new ATOM 0 HA LYS A 34 83.151 -9.734 30.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.431 -11.415 29.504 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.635 -11.831 31.009 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.970 -11.296 28.514 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.729 -12.861 28.735 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.618 -12.965 31.056 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.726 -11.520 30.623 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.391 -13.564 30.115 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.748 -12.677 28.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.192 -15.239 28.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.265 -14.236 27.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.651 -14.751 29.521 1.00 0.00 H new ATOM 541 N GLU A 35 86.317 -8.923 31.039 1.00 0.00 N ATOM 542 CA GLU A 35 87.254 -8.392 32.068 1.00 0.00 C ATOM 543 C GLU A 35 86.670 -7.119 32.685 1.00 0.00 C ATOM 544 O GLU A 35 86.694 -6.936 33.885 1.00 0.00 O ATOM 545 CB GLU A 35 88.607 -8.087 31.412 1.00 0.00 C ATOM 546 CG GLU A 35 89.612 -7.631 32.478 1.00 0.00 C ATOM 547 CD GLU A 35 89.360 -6.167 32.840 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.304 -5.352 31.934 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.221 -5.890 34.019 1.00 0.00 O ATOM 0 H GLU A 35 86.694 -8.980 30.093 1.00 0.00 H new ATOM 0 HA GLU A 35 87.396 -9.133 32.854 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.982 -8.974 30.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.488 -7.311 30.656 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.520 -8.255 33.367 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.629 -7.753 32.106 1.00 0.00 H new ATOM 556 N ILE A 36 86.135 -6.236 31.881 1.00 0.00 N ATOM 557 CA ILE A 36 85.547 -4.982 32.442 1.00 0.00 C ATOM 558 C ILE A 36 84.380 -5.349 33.364 1.00 0.00 C ATOM 559 O ILE A 36 84.203 -4.780 34.425 1.00 0.00 O ATOM 560 CB ILE A 36 85.059 -4.097 31.294 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.267 -3.659 30.454 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.354 -2.861 31.860 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.789 -3.017 29.150 1.00 0.00 C ATOM 0 H ILE A 36 86.080 -6.328 30.867 1.00 0.00 H new ATOM 0 HA ILE A 36 86.297 -4.436 33.014 1.00 0.00 H new ATOM 0 HB ILE A 36 84.359 -4.655 30.672 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.875 -2.951 31.017 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.900 -4.519 30.235 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.007 -2.232 31.040 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.502 -3.173 32.463 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.051 -2.297 32.480 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.651 -2.709 28.559 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.200 -3.739 28.584 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.175 -2.146 29.377 1.00 0.00 H new ATOM 575 N VAL A 37 83.595 -6.313 32.969 1.00 0.00 N ATOM 576 CA VAL A 37 82.449 -6.752 33.818 1.00 0.00 C ATOM 577 C VAL A 37 83.002 -7.298 35.136 1.00 0.00 C ATOM 578 O VAL A 37 82.455 -7.073 36.194 1.00 0.00 O ATOM 579 CB VAL A 37 81.673 -7.855 33.087 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.647 -8.495 34.028 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.950 -7.252 31.878 1.00 0.00 C ATOM 0 H VAL A 37 83.698 -6.819 32.089 1.00 0.00 H new ATOM 0 HA VAL A 37 81.781 -5.914 34.015 1.00 0.00 H new ATOM 0 HB VAL A 37 82.374 -8.621 32.754 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.103 -9.276 33.496 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.161 -8.930 34.885 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.946 -7.735 34.373 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.398 -8.034 31.357 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.257 -6.482 32.216 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.681 -6.811 31.200 1.00 0.00 H new ATOM 591 N ALA A 38 84.086 -8.021 35.066 1.00 0.00 N ATOM 592 CA ALA A 38 84.693 -8.601 36.297 1.00 0.00 C ATOM 593 C ALA A 38 85.183 -7.486 37.223 1.00 0.00 C ATOM 594 O ALA A 38 85.058 -7.568 38.431 1.00 0.00 O ATOM 595 CB ALA A 38 85.884 -9.476 35.908 1.00 0.00 C ATOM 0 H ALA A 38 84.581 -8.236 34.201 1.00 0.00 H new ATOM 0 HA ALA A 38 83.940 -9.195 36.815 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.331 -9.902 36.806 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.547 -10.280 35.254 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.625 -8.871 35.386 1.00 0.00 H new ATOM 601 N SER A 39 85.758 -6.453 36.676 1.00 0.00 N ATOM 602 CA SER A 39 86.266 -5.352 37.539 1.00 0.00 C ATOM 603 C SER A 39 85.088 -4.569 38.116 1.00 0.00 C ATOM 604 O SER A 39 85.105 -4.165 39.263 1.00 0.00 O ATOM 605 CB SER A 39 87.155 -4.413 36.721 1.00 0.00 C ATOM 606 OG SER A 39 88.363 -5.081 36.381 1.00 0.00 O ATOM 0 H SER A 39 85.898 -6.323 35.674 1.00 0.00 H new ATOM 0 HA SER A 39 86.853 -5.779 38.352 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.634 -4.098 35.817 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.374 -3.512 37.293 1.00 0.00 H new ATOM 0 HG SER A 39 88.286 -5.457 35.479 1.00 0.00 H new ATOM 612 N CYS A 40 84.060 -4.354 37.344 1.00 0.00 N ATOM 613 CA CYS A 40 82.891 -3.602 37.882 1.00 0.00 C ATOM 614 C CYS A 40 82.098 -4.527 38.806 1.00 0.00 C ATOM 615 O CYS A 40 81.377 -5.400 38.368 1.00 0.00 O ATOM 616 CB CYS A 40 82.004 -3.122 36.737 1.00 0.00 C ATOM 617 SG CYS A 40 80.724 -2.024 37.393 1.00 0.00 S ATOM 0 H CYS A 40 83.978 -4.662 36.375 1.00 0.00 H new ATOM 0 HA CYS A 40 83.237 -2.731 38.438 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.603 -2.597 35.993 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.546 -3.974 36.235 1.00 0.00 H new ATOM 622 N ASP A 41 82.255 -4.343 40.087 1.00 0.00 N ATOM 623 CA ASP A 41 81.554 -5.205 41.078 1.00 0.00 C ATOM 624 C ASP A 41 80.039 -5.083 40.920 1.00 0.00 C ATOM 625 O ASP A 41 79.317 -6.055 41.026 1.00 0.00 O ATOM 626 CB ASP A 41 81.953 -4.769 42.488 1.00 0.00 C ATOM 627 CG ASP A 41 83.377 -5.240 42.781 1.00 0.00 C ATOM 628 OD1 ASP A 41 83.673 -6.384 42.480 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.148 -4.450 43.302 1.00 0.00 O ATOM 0 H ASP A 41 82.849 -3.621 40.495 1.00 0.00 H new ATOM 0 HA ASP A 41 81.840 -6.243 40.909 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.892 -3.684 42.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.262 -5.188 43.219 1.00 0.00 H new ATOM 634 N LYS A 42 79.549 -3.908 40.666 1.00 0.00 N ATOM 635 CA LYS A 42 78.077 -3.746 40.513 1.00 0.00 C ATOM 636 C LYS A 42 77.588 -4.643 39.378 1.00 0.00 C ATOM 637 O LYS A 42 76.499 -5.180 39.431 1.00 0.00 O ATOM 638 CB LYS A 42 77.735 -2.286 40.187 1.00 0.00 C ATOM 639 CG LYS A 42 77.953 -1.419 41.429 1.00 0.00 C ATOM 640 CD LYS A 42 77.856 0.065 41.056 1.00 0.00 C ATOM 641 CE LYS A 42 76.499 0.356 40.402 1.00 0.00 C ATOM 642 NZ LYS A 42 76.222 1.821 40.460 1.00 0.00 N ATOM 0 H LYS A 42 80.098 -3.055 40.558 1.00 0.00 H new ATOM 0 HA LYS A 42 77.589 -4.025 41.447 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.360 -1.930 39.368 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.700 -2.210 39.855 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.208 -1.661 42.187 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.930 -1.630 41.863 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.979 0.681 41.947 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.662 0.330 40.372 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.502 0.017 39.366 1.00 0.00 H new ATOM 0 HE3 LYS A 42 75.711 -0.194 40.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.302 2.018 40.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.202 2.131 41.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.969 2.336 39.951 1.00 0.00 H new ATOM 656 N CYS A 43 78.374 -4.805 38.350 1.00 0.00 N ATOM 657 CA CYS A 43 77.935 -5.661 37.215 1.00 0.00 C ATOM 658 C CYS A 43 77.996 -7.145 37.596 1.00 0.00 C ATOM 659 O CYS A 43 77.004 -7.843 37.562 1.00 0.00 O ATOM 660 CB CYS A 43 78.857 -5.433 36.017 1.00 0.00 C ATOM 661 SG CYS A 43 78.646 -3.747 35.403 1.00 0.00 S ATOM 0 H CYS A 43 79.297 -4.383 38.248 1.00 0.00 H new ATOM 0 HA CYS A 43 76.908 -5.395 36.966 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.895 -5.598 36.307 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.629 -6.150 35.228 1.00 0.00 H new ATOM 666 N GLN A 44 79.164 -7.642 37.914 1.00 0.00 N ATOM 667 CA GLN A 44 79.297 -9.094 38.245 1.00 0.00 C ATOM 668 C GLN A 44 78.713 -9.410 39.624 1.00 0.00 C ATOM 669 O GLN A 44 77.824 -10.230 39.749 1.00 0.00 O ATOM 670 CB GLN A 44 80.777 -9.493 38.206 1.00 0.00 C ATOM 671 CG GLN A 44 80.901 -11.018 38.272 1.00 0.00 C ATOM 672 CD GLN A 44 82.360 -11.420 38.027 1.00 0.00 C ATOM 673 OE1 GLN A 44 83.267 -10.784 38.531 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 82.628 -12.449 37.260 1.00 0.00 N flip ATOM 0 H GLN A 44 80.031 -7.106 37.959 1.00 0.00 H new ATOM 0 HA GLN A 44 78.737 -9.665 37.504 1.00 0.00 H new ATOM 0 HB2 GLN A 44 81.241 -9.120 37.293 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.309 -9.038 39.042 1.00 0.00 H new ATOM 0 HG2 GLN A 44 80.571 -11.379 39.246 1.00 0.00 H new ATOM 0 HG3 GLN A 44 80.255 -11.479 37.525 1.00 0.00 H new ATOM 0 HE21 GLN A 44 81.868 -12.982 36.838 1.00 0.00 H new ATOM 0 HE22 GLN A 44 83.597 -12.717 37.086 1.00 0.00 H new ATOM 683 N LEU A 45 79.210 -8.793 40.661 1.00 0.00 N ATOM 684 CA LEU A 45 78.685 -9.095 42.030 1.00 0.00 C ATOM 685 C LEU A 45 77.295 -8.484 42.209 1.00 0.00 C ATOM 686 O LEU A 45 77.043 -7.356 41.826 1.00 0.00 O ATOM 687 CB LEU A 45 79.629 -8.512 43.085 1.00 0.00 C ATOM 688 CG LEU A 45 81.041 -9.085 42.914 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.960 -8.479 43.980 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.022 -10.617 43.068 1.00 0.00 C ATOM 0 H LEU A 45 79.953 -8.096 40.624 1.00 0.00 H new ATOM 0 HA LEU A 45 78.621 -10.177 42.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.657 -7.426 42.997 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.255 -8.741 44.083 1.00 0.00 H new ATOM 0 HG LEU A 45 81.407 -8.837 41.918 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.966 -8.882 43.865 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.987 -7.396 43.863 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.581 -8.728 44.971 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.032 -11.008 42.944 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.651 -10.878 44.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.369 -11.051 42.310 1.00 0.00 H new ATOM 702 N LYS A 46 76.391 -9.219 42.798 1.00 0.00 N ATOM 703 CA LYS A 46 75.013 -8.694 43.020 1.00 0.00 C ATOM 704 C LYS A 46 74.967 -7.966 44.366 1.00 0.00 C ATOM 705 O LYS A 46 75.704 -8.285 45.278 1.00 0.00 O ATOM 706 CB LYS A 46 74.015 -9.858 43.008 1.00 0.00 C ATOM 707 CG LYS A 46 74.069 -10.582 41.653 1.00 0.00 C ATOM 708 CD LYS A 46 73.474 -9.699 40.541 1.00 0.00 C ATOM 709 CE LYS A 46 73.155 -10.558 39.319 1.00 0.00 C ATOM 710 NZ LYS A 46 72.017 -11.462 39.630 1.00 0.00 N ATOM 0 H LYS A 46 76.549 -10.168 43.137 1.00 0.00 H new ATOM 0 HA LYS A 46 74.746 -7.996 42.227 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.248 -10.556 43.812 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.007 -9.486 43.191 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.101 -10.834 41.411 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.517 -11.520 41.714 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.569 -9.207 40.898 1.00 0.00 H new ATOM 0 HD3 LYS A 46 74.179 -8.913 40.271 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.906 -9.922 38.470 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.030 -11.142 39.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.530 -11.723 38.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.373 -12.321 40.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.350 -10.976 40.263 1.00 0.00 H new ATOM 724 N GLY A 47 74.117 -6.979 44.491 1.00 0.00 N ATOM 725 CA GLY A 47 74.029 -6.212 45.766 1.00 0.00 C ATOM 726 C GLY A 47 74.074 -7.151 46.976 1.00 0.00 C ATOM 727 O GLY A 47 75.106 -7.340 47.586 1.00 0.00 O ATOM 0 H GLY A 47 73.477 -6.671 43.759 1.00 0.00 H new ATOM 0 HA2 GLY A 47 74.852 -5.499 45.823 1.00 0.00 H new ATOM 0 HA3 GLY A 47 73.105 -5.634 45.784 1.00 0.00 H new ATOM 731 N GLU A 48 72.956 -7.722 47.342 1.00 0.00 N ATOM 732 CA GLU A 48 72.932 -8.629 48.530 1.00 0.00 C ATOM 733 C GLU A 48 73.576 -9.964 48.153 1.00 0.00 C ATOM 734 O GLU A 48 73.115 -10.653 47.264 1.00 0.00 O ATOM 735 CB GLU A 48 71.479 -8.867 48.950 1.00 0.00 C ATOM 736 CG GLU A 48 70.869 -7.565 49.476 1.00 0.00 C ATOM 737 CD GLU A 48 69.416 -7.812 49.885 1.00 0.00 C ATOM 738 OE1 GLU A 48 69.209 -8.389 50.937 1.00 0.00 O ATOM 739 OE2 GLU A 48 68.535 -7.398 49.152 1.00 0.00 O ATOM 0 H GLU A 48 72.059 -7.600 46.871 1.00 0.00 H new ATOM 0 HA GLU A 48 73.482 -8.176 49.355 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.901 -9.233 48.101 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.435 -9.637 49.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.441 -7.201 50.329 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.916 -6.793 48.708 1.00 0.00 H new ATOM 746 N ALA A 49 74.647 -10.329 48.814 1.00 0.00 N ATOM 747 CA ALA A 49 75.342 -11.617 48.482 1.00 0.00 C ATOM 748 C ALA A 49 74.956 -12.725 49.475 1.00 0.00 C ATOM 749 O ALA A 49 75.490 -12.813 50.559 1.00 0.00 O ATOM 750 CB ALA A 49 76.852 -11.398 48.560 1.00 0.00 C ATOM 0 H ALA A 49 75.072 -9.792 49.570 1.00 0.00 H new ATOM 0 HA ALA A 49 75.043 -11.923 47.480 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.367 -12.328 48.320 1.00 0.00 H new ATOM 0 HB2 ALA A 49 77.145 -10.627 47.848 1.00 0.00 H new ATOM 0 HB3 ALA A 49 77.122 -11.083 49.568 1.00 0.00 H new ATOM 756 N MET A 50 74.058 -13.589 49.090 1.00 0.00 N ATOM 757 CA MET A 50 73.651 -14.719 49.980 1.00 0.00 C ATOM 758 C MET A 50 73.542 -14.270 51.444 1.00 0.00 C ATOM 759 O MET A 50 74.117 -14.874 52.329 1.00 0.00 O ATOM 760 CB MET A 50 74.675 -15.852 49.868 1.00 0.00 C ATOM 761 CG MET A 50 74.058 -17.152 50.388 1.00 0.00 C ATOM 762 SD MET A 50 75.246 -18.507 50.216 1.00 0.00 S ATOM 763 CE MET A 50 74.244 -19.777 51.032 1.00 0.00 C ATOM 0 H MET A 50 73.583 -13.562 48.188 1.00 0.00 H new ATOM 0 HA MET A 50 72.669 -15.067 49.658 1.00 0.00 H new ATOM 0 HB2 MET A 50 74.986 -15.974 48.830 1.00 0.00 H new ATOM 0 HB3 MET A 50 75.569 -15.606 50.442 1.00 0.00 H new ATOM 0 HG2 MET A 50 73.773 -17.037 51.434 1.00 0.00 H new ATOM 0 HG3 MET A 50 73.148 -17.381 49.833 1.00 0.00 H new ATOM 0 HE1 MET A 50 74.790 -20.720 51.042 1.00 0.00 H new ATOM 0 HE2 MET A 50 74.031 -19.470 52.056 1.00 0.00 H new ATOM 0 HE3 MET A 50 73.307 -19.906 50.489 1.00 0.00 H new ATOM 773 N HIS A 51 72.811 -13.225 51.713 1.00 0.00 N ATOM 774 CA HIS A 51 72.678 -12.767 53.121 1.00 0.00 C ATOM 775 C HIS A 51 72.062 -13.891 53.953 1.00 0.00 C ATOM 776 O HIS A 51 72.453 -14.123 55.077 1.00 0.00 O ATOM 777 CB HIS A 51 71.784 -11.528 53.179 1.00 0.00 C ATOM 778 CG HIS A 51 71.655 -11.061 54.604 1.00 0.00 C ATOM 779 ND1 HIS A 51 70.664 -11.540 55.451 1.00 0.00 N ATOM 780 CD2 HIS A 51 72.380 -10.160 55.343 1.00 0.00 C ATOM 781 CE1 HIS A 51 70.817 -10.931 56.639 1.00 0.00 C ATOM 782 NE2 HIS A 51 71.849 -10.082 56.624 1.00 0.00 N ATOM 0 H HIS A 51 72.303 -12.672 51.023 1.00 0.00 H new ATOM 0 HA HIS A 51 73.660 -12.512 53.520 1.00 0.00 H new ATOM 0 HB2 HIS A 51 72.206 -10.734 52.563 1.00 0.00 H new ATOM 0 HB3 HIS A 51 70.800 -11.759 52.771 1.00 0.00 H new ATOM 0 HD2 HIS A 51 73.231 -9.599 54.984 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.186 -11.106 57.498 1.00 0.00 H new ATOM 0 HE2 HIS A 51 72.178 -9.498 57.393 1.00 0.00 H new ATOM 790 N GLY A 52 71.099 -14.591 53.409 1.00 0.00 N ATOM 791 CA GLY A 52 70.449 -15.716 54.160 1.00 0.00 C ATOM 792 C GLY A 52 68.931 -15.553 54.121 1.00 0.00 C ATOM 793 O GLY A 52 68.417 -14.475 53.887 1.00 0.00 O ATOM 0 H GLY A 52 70.731 -14.433 52.471 1.00 0.00 H new ATOM 0 HA2 GLY A 52 70.733 -16.672 53.720 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.797 -15.725 55.193 1.00 0.00 H new ATOM 797 N GLN A 53 68.207 -16.620 54.355 1.00 0.00 N ATOM 798 CA GLN A 53 66.711 -16.545 54.343 1.00 0.00 C ATOM 799 C GLN A 53 66.200 -16.398 55.771 1.00 0.00 C ATOM 800 O GLN A 53 65.016 -16.475 56.029 1.00 0.00 O ATOM 801 CB GLN A 53 66.131 -17.815 53.717 1.00 0.00 C ATOM 802 CG GLN A 53 66.404 -17.807 52.209 1.00 0.00 C ATOM 803 CD GLN A 53 65.926 -19.120 51.591 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.034 -20.164 52.199 1.00 0.00 O ATOM 805 NE2 GLN A 53 65.398 -19.115 50.398 1.00 0.00 N ATOM 0 H GLN A 53 68.589 -17.544 54.555 1.00 0.00 H new ATOM 0 HA GLN A 53 66.398 -15.683 53.753 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.579 -18.697 54.175 1.00 0.00 H new ATOM 0 HB3 GLN A 53 65.058 -17.869 53.904 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.891 -16.966 51.742 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.470 -17.674 52.024 1.00 0.00 H new ATOM 0 HE21 GLN A 53 65.306 -18.238 49.885 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.077 -19.988 49.979 1.00 0.00 H new ATOM 814 N VAL A 54 67.089 -16.185 56.701 1.00 0.00 N ATOM 815 CA VAL A 54 66.669 -16.027 58.130 1.00 0.00 C ATOM 816 C VAL A 54 66.629 -14.543 58.484 1.00 0.00 C ATOM 817 O VAL A 54 67.568 -13.808 58.242 1.00 0.00 O ATOM 818 CB VAL A 54 67.659 -16.749 59.047 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.738 -18.224 58.649 1.00 0.00 C ATOM 820 CG2 VAL A 54 69.044 -16.112 58.923 1.00 0.00 C ATOM 0 H VAL A 54 68.093 -16.113 56.536 1.00 0.00 H new ATOM 0 HA VAL A 54 65.678 -16.461 58.265 1.00 0.00 H new ATOM 0 HB VAL A 54 67.318 -16.666 60.079 1.00 0.00 H new ATOM 0 HG11 VAL A 54 68.443 -18.740 59.301 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.753 -18.680 58.746 1.00 0.00 H new ATOM 0 HG13 VAL A 54 68.075 -18.304 57.615 1.00 0.00 H new ATOM 0 HG21 VAL A 54 69.743 -16.631 59.579 1.00 0.00 H new ATOM 0 HG22 VAL A 54 69.389 -16.188 57.892 1.00 0.00 H new ATOM 0 HG23 VAL A 54 68.989 -15.062 59.210 1.00 0.00 H new ATOM 830 N ASP A 55 65.540 -14.093 59.043 1.00 0.00 N ATOM 831 CA ASP A 55 65.418 -12.653 59.407 1.00 0.00 C ATOM 832 C ASP A 55 65.974 -12.436 60.813 1.00 0.00 C ATOM 833 O ASP A 55 65.188 -12.445 61.747 1.00 0.00 O ATOM 834 CB ASP A 55 63.941 -12.250 59.373 1.00 0.00 C ATOM 835 CG ASP A 55 63.815 -10.731 59.510 1.00 0.00 C ATOM 836 OD1 ASP A 55 63.720 -10.263 60.634 1.00 0.00 O ATOM 837 OD2 ASP A 55 63.807 -10.061 58.488 1.00 0.00 O ATOM 838 OXT ASP A 55 67.178 -12.266 60.932 1.00 0.00 O ATOM 0 H ASP A 55 64.724 -14.664 59.265 1.00 0.00 H new ATOM 0 HA ASP A 55 65.980 -12.045 58.698 1.00 0.00 H new ATOM 0 HB2 ASP A 55 63.486 -12.579 58.439 1.00 0.00 H new ATOM 0 HB3 ASP A 55 63.401 -12.743 60.181 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.958 -14.387 22.011 1.00 0.00 N ATOM 845 CA PHE B 1 92.768 -14.126 22.866 1.00 0.00 C ATOM 846 C PHE B 1 92.163 -15.457 23.318 1.00 0.00 C ATOM 847 O PHE B 1 92.516 -16.000 24.349 1.00 0.00 O ATOM 848 CB PHE B 1 91.723 -13.343 22.062 1.00 0.00 C ATOM 849 CG PHE B 1 92.144 -11.896 21.928 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.816 -10.973 22.931 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.850 -11.477 20.796 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.197 -9.632 22.801 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.230 -10.137 20.664 1.00 0.00 C ATOM 854 CZ PHE B 1 92.904 -9.213 21.666 1.00 0.00 C ATOM 0 H1 PHE B 1 94.085 -13.600 21.343 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.804 -14.472 22.610 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.818 -15.271 21.482 1.00 0.00 H new ATOM 0 HA PHE B 1 93.069 -13.546 23.738 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.605 -13.788 21.074 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.753 -13.403 22.556 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.269 -11.297 23.804 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.102 -12.188 20.023 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.946 -8.921 23.575 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.775 -9.814 19.789 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.197 -8.179 21.563 1.00 0.00 H new ATOM 866 N LEU B 2 91.248 -15.984 22.549 1.00 0.00 N ATOM 867 CA LEU B 2 90.608 -17.278 22.921 1.00 0.00 C ATOM 868 C LEU B 2 91.669 -18.384 22.963 1.00 0.00 C ATOM 869 O LEU B 2 91.650 -19.242 23.823 1.00 0.00 O ATOM 870 CB LEU B 2 89.542 -17.638 21.881 1.00 0.00 C ATOM 871 CG LEU B 2 88.452 -16.557 21.835 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.467 -16.879 20.704 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.697 -16.509 23.175 1.00 0.00 C ATOM 0 H LEU B 2 90.916 -15.572 21.677 1.00 0.00 H new ATOM 0 HA LEU B 2 90.144 -17.182 23.903 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.003 -17.740 20.899 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.097 -18.602 22.126 1.00 0.00 H new ATOM 0 HG LEU B 2 88.917 -15.588 21.655 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.692 -16.114 20.668 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.999 -16.901 19.753 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.009 -17.851 20.886 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.927 -15.739 23.131 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.233 -17.477 23.366 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.396 -16.277 23.978 1.00 0.00 H new ATOM 885 N ASP B 3 92.585 -18.373 22.030 1.00 0.00 N ATOM 886 CA ASP B 3 93.646 -19.425 21.993 1.00 0.00 C ATOM 887 C ASP B 3 94.546 -19.321 23.223 1.00 0.00 C ATOM 888 O ASP B 3 94.787 -20.289 23.917 1.00 0.00 O ATOM 889 CB ASP B 3 94.496 -19.228 20.742 1.00 0.00 C ATOM 890 CG ASP B 3 94.827 -17.746 20.581 1.00 0.00 C ATOM 891 OD1 ASP B 3 94.039 -17.047 19.972 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.869 -17.338 21.068 1.00 0.00 O ATOM 0 H ASP B 3 92.645 -17.676 21.287 1.00 0.00 H new ATOM 0 HA ASP B 3 93.171 -20.406 21.982 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.414 -19.811 20.817 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.960 -19.590 19.864 1.00 0.00 H new ATOM 897 N GLY B 4 95.049 -18.152 23.494 1.00 0.00 N ATOM 898 CA GLY B 4 95.940 -17.983 24.678 1.00 0.00 C ATOM 899 C GLY B 4 95.179 -18.427 25.925 1.00 0.00 C ATOM 900 O GLY B 4 95.736 -18.997 26.843 1.00 0.00 O ATOM 0 H GLY B 4 94.884 -17.306 22.949 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.847 -18.575 24.557 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.249 -16.942 24.774 1.00 0.00 H new ATOM 904 N ILE B 5 93.904 -18.170 25.953 1.00 0.00 N ATOM 905 CA ILE B 5 93.078 -18.570 27.119 1.00 0.00 C ATOM 906 C ILE B 5 92.956 -20.093 27.167 1.00 0.00 C ATOM 907 O ILE B 5 92.996 -20.695 28.225 1.00 0.00 O ATOM 908 CB ILE B 5 91.698 -17.924 26.992 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.827 -16.419 27.247 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.734 -18.541 28.004 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.567 -15.702 26.763 1.00 0.00 C ATOM 0 H ILE B 5 93.394 -17.694 25.208 1.00 0.00 H new ATOM 0 HA ILE B 5 93.548 -18.234 28.043 1.00 0.00 H new ATOM 0 HB ILE B 5 91.307 -18.096 25.989 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.977 -16.233 28.310 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.702 -16.027 26.728 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.754 -18.074 27.905 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.646 -19.611 27.817 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.113 -18.379 29.013 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.664 -14.632 26.947 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.437 -15.876 25.695 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.700 -16.086 27.302 1.00 0.00 H new ATOM 923 N ASP B 6 92.793 -20.724 26.039 1.00 0.00 N ATOM 924 CA ASP B 6 92.656 -22.206 26.044 1.00 0.00 C ATOM 925 C ASP B 6 93.909 -22.829 26.644 1.00 0.00 C ATOM 926 O ASP B 6 93.835 -23.668 27.517 1.00 0.00 O ATOM 927 CB ASP B 6 92.475 -22.715 24.614 1.00 0.00 C ATOM 928 CG ASP B 6 92.332 -24.241 24.633 1.00 0.00 C ATOM 929 OD1 ASP B 6 93.343 -24.906 24.757 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.214 -24.716 24.528 1.00 0.00 O ATOM 0 H ASP B 6 92.749 -20.282 25.121 1.00 0.00 H new ATOM 0 HA ASP B 6 91.786 -22.483 26.639 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.592 -22.261 24.163 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.330 -22.426 24.002 1.00 0.00 H new ATOM 935 N LYS B 7 95.061 -22.426 26.189 1.00 0.00 N ATOM 936 CA LYS B 7 96.317 -23.001 26.746 1.00 0.00 C ATOM 937 C LYS B 7 96.449 -22.584 28.210 1.00 0.00 C ATOM 938 O LYS B 7 96.822 -23.373 29.058 1.00 0.00 O ATOM 939 CB LYS B 7 97.516 -22.464 25.955 1.00 0.00 C ATOM 940 CG LYS B 7 97.435 -22.913 24.487 1.00 0.00 C ATOM 941 CD LYS B 7 97.689 -24.426 24.374 1.00 0.00 C ATOM 942 CE LYS B 7 98.058 -24.785 22.930 1.00 0.00 C ATOM 943 NZ LYS B 7 99.291 -24.048 22.528 1.00 0.00 N ATOM 0 H LYS B 7 95.188 -21.726 25.458 1.00 0.00 H new ATOM 0 HA LYS B 7 96.290 -24.088 26.672 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.537 -21.375 26.008 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.444 -22.823 26.401 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.453 -22.671 24.080 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.169 -22.369 23.893 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.493 -24.720 25.048 1.00 0.00 H new ATOM 0 HD3 LYS B 7 96.799 -24.977 24.679 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.220 -25.859 22.842 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.236 -24.531 22.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.828 -24.617 21.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.027 -23.141 22.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.879 -23.872 23.367 1.00 0.00 H new ATOM 957 N ALA B 8 96.138 -21.355 28.513 1.00 0.00 N ATOM 958 CA ALA B 8 96.232 -20.884 29.925 1.00 0.00 C ATOM 959 C ALA B 8 95.126 -21.537 30.764 1.00 0.00 C ATOM 960 O ALA B 8 95.301 -21.828 31.929 1.00 0.00 O ATOM 961 CB ALA B 8 96.086 -19.362 29.973 1.00 0.00 C ATOM 0 H ALA B 8 95.822 -20.654 27.843 1.00 0.00 H new ATOM 0 HA ALA B 8 97.204 -21.164 30.332 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.155 -19.022 31.006 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.880 -18.902 29.386 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.118 -19.076 29.561 1.00 0.00 H new ATOM 967 N GLN B 9 93.973 -21.737 30.186 1.00 0.00 N ATOM 968 CA GLN B 9 92.847 -22.337 30.957 1.00 0.00 C ATOM 969 C GLN B 9 93.219 -23.761 31.386 1.00 0.00 C ATOM 970 O GLN B 9 93.590 -24.593 30.578 1.00 0.00 O ATOM 971 CB GLN B 9 91.595 -22.359 30.074 1.00 0.00 C ATOM 972 CG GLN B 9 90.418 -22.956 30.848 1.00 0.00 C ATOM 973 CD GLN B 9 89.175 -22.965 29.952 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.198 -22.326 28.808 1.00 0.00 O flip ATOM 975 NE2 GLN B 9 88.175 -23.565 30.292 1.00 0.00 N flip ATOM 0 H GLN B 9 93.762 -21.511 29.214 1.00 0.00 H new ATOM 0 HA GLN B 9 92.649 -21.744 31.850 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.351 -21.347 29.749 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.784 -22.946 29.175 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.656 -23.970 31.169 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.227 -22.373 31.749 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.157 -24.062 31.182 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.354 -23.571 29.687 1.00 0.00 H new ATOM 984 N GLU B 10 93.121 -24.042 32.662 1.00 0.00 N ATOM 985 CA GLU B 10 93.464 -25.404 33.178 1.00 0.00 C ATOM 986 C GLU B 10 92.652 -25.689 34.448 1.00 0.00 C ATOM 987 O GLU B 10 91.711 -24.987 34.768 1.00 0.00 O ATOM 988 CB GLU B 10 94.956 -25.474 33.520 1.00 0.00 C ATOM 989 CG GLU B 10 95.794 -25.500 32.237 1.00 0.00 C ATOM 990 CD GLU B 10 97.266 -25.681 32.604 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.566 -26.631 33.309 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.068 -24.867 32.176 1.00 0.00 O ATOM 0 H GLU B 10 92.815 -23.380 33.375 1.00 0.00 H new ATOM 0 HA GLU B 10 93.230 -26.142 32.410 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.237 -24.615 34.129 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.159 -26.366 34.113 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.465 -26.313 31.590 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.657 -24.573 31.680 1.00 0.00 H new ATOM 999 N GLU B 11 93.018 -26.709 35.178 1.00 0.00 N ATOM 1000 CA GLU B 11 92.281 -27.031 36.434 1.00 0.00 C ATOM 1001 C GLU B 11 92.638 -25.990 37.504 1.00 0.00 C ATOM 1002 O GLU B 11 93.668 -25.346 37.434 1.00 0.00 O ATOM 1003 CB GLU B 11 92.682 -28.430 36.912 1.00 0.00 C ATOM 1004 CG GLU B 11 92.113 -29.479 35.952 1.00 0.00 C ATOM 1005 CD GLU B 11 90.588 -29.526 36.096 1.00 0.00 C ATOM 1006 OE1 GLU B 11 90.115 -29.411 37.215 1.00 0.00 O ATOM 1007 OE2 GLU B 11 89.920 -29.669 35.087 1.00 0.00 O ATOM 0 H GLU B 11 93.795 -27.332 34.959 1.00 0.00 H new ATOM 0 HA GLU B 11 91.206 -27.010 36.252 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.768 -28.513 36.957 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.307 -28.603 37.921 1.00 0.00 H new ATOM 0 HG2 GLU B 11 92.385 -29.234 34.925 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.540 -30.458 36.170 1.00 0.00 H new ATOM 1014 N HIS B 12 91.798 -25.800 38.486 1.00 0.00 N ATOM 1015 CA HIS B 12 92.108 -24.781 39.531 1.00 0.00 C ATOM 1016 C HIS B 12 93.355 -25.199 40.315 1.00 0.00 C ATOM 1017 O HIS B 12 93.286 -25.553 41.475 1.00 0.00 O ATOM 1018 CB HIS B 12 90.926 -24.635 40.493 1.00 0.00 C ATOM 1019 CG HIS B 12 91.269 -23.621 41.555 1.00 0.00 C ATOM 1020 ND1 HIS B 12 91.136 -22.255 41.350 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.737 -23.763 42.838 1.00 0.00 C ATOM 1022 CE1 HIS B 12 91.513 -21.634 42.485 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.888 -22.510 43.419 1.00 0.00 N ATOM 0 H HIS B 12 90.918 -26.301 38.610 1.00 0.00 H new ATOM 0 HA HIS B 12 92.292 -23.824 39.042 1.00 0.00 H new ATOM 0 HB2 HIS B 12 90.036 -24.321 39.948 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.696 -25.596 40.953 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.954 -24.704 43.321 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.512 -20.563 42.621 1.00 0.00 H new ATOM 0 HE2 HIS B 12 92.217 -22.303 44.362 1.00 0.00 H new ATOM 1031 N GLU B 13 94.494 -25.146 39.679 1.00 0.00 N ATOM 1032 CA GLU B 13 95.769 -25.519 40.351 1.00 0.00 C ATOM 1033 C GLU B 13 96.246 -24.346 41.209 1.00 0.00 C ATOM 1034 O GLU B 13 95.606 -23.314 41.275 1.00 0.00 O ATOM 1035 CB GLU B 13 96.819 -25.845 39.281 1.00 0.00 C ATOM 1036 CG GLU B 13 98.075 -26.457 39.925 1.00 0.00 C ATOM 1037 CD GLU B 13 98.852 -27.267 38.880 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.236 -28.067 38.202 1.00 0.00 O ATOM 1039 OE2 GLU B 13 100.048 -27.070 38.779 1.00 0.00 O ATOM 0 H GLU B 13 94.595 -24.855 38.707 1.00 0.00 H new ATOM 0 HA GLU B 13 95.618 -26.391 40.988 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.401 -26.541 38.553 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.087 -24.939 38.738 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.708 -25.668 40.331 1.00 0.00 H new ATOM 0 HG3 GLU B 13 97.791 -27.099 40.759 1.00 0.00 H new ATOM 1046 N LYS B 14 97.360 -24.491 41.866 1.00 0.00 N ATOM 1047 CA LYS B 14 97.870 -23.385 42.718 1.00 0.00 C ATOM 1048 C LYS B 14 98.215 -22.184 41.835 1.00 0.00 C ATOM 1049 O LYS B 14 98.188 -21.055 42.279 1.00 0.00 O ATOM 1050 CB LYS B 14 99.120 -23.843 43.469 1.00 0.00 C ATOM 1051 CG LYS B 14 98.748 -24.942 44.473 1.00 0.00 C ATOM 1052 CD LYS B 14 100.004 -25.396 45.226 1.00 0.00 C ATOM 1053 CE LYS B 14 99.643 -26.499 46.227 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.029 -25.890 47.444 1.00 0.00 N ATOM 0 H LYS B 14 97.940 -25.330 41.850 1.00 0.00 H new ATOM 0 HA LYS B 14 97.104 -23.102 43.439 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.862 -24.217 42.764 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.572 -22.999 43.990 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.004 -24.569 45.177 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.298 -25.787 43.952 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.749 -25.763 44.520 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.450 -24.550 45.749 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.948 -27.204 45.771 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.535 -27.062 46.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.785 -26.640 48.122 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.706 -25.234 47.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.168 -25.372 47.176 1.00 0.00 H new ATOM 1068 N TYR B 15 98.533 -22.412 40.585 1.00 0.00 N ATOM 1069 CA TYR B 15 98.866 -21.271 39.682 1.00 0.00 C ATOM 1070 C TYR B 15 97.656 -20.330 39.597 1.00 0.00 C ATOM 1071 O TYR B 15 97.796 -19.139 39.399 1.00 0.00 O ATOM 1072 CB TYR B 15 99.227 -21.786 38.281 1.00 0.00 C ATOM 1073 CG TYR B 15 100.643 -22.319 38.289 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.882 -23.655 38.622 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.710 -21.473 37.972 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.195 -24.149 38.634 1.00 0.00 C ATOM 1077 CE2 TYR B 15 103.020 -21.964 37.984 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.265 -23.301 38.316 1.00 0.00 C ATOM 1079 OH TYR B 15 104.558 -23.785 38.323 1.00 0.00 O ATOM 0 H TYR B 15 98.576 -23.335 40.153 1.00 0.00 H new ATOM 0 HA TYR B 15 99.725 -20.733 40.083 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.533 -22.571 37.981 1.00 0.00 H new ATOM 0 HB3 TYR B 15 99.134 -20.982 37.551 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.057 -24.306 38.870 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.523 -20.440 37.718 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.381 -25.182 38.888 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.843 -21.310 37.737 1.00 0.00 H new ATOM 0 HH TYR B 15 105.178 -23.066 38.079 1.00 0.00 H new ATOM 1089 N HIS B 16 96.468 -20.847 39.748 1.00 0.00 N ATOM 1090 CA HIS B 16 95.272 -19.961 39.680 1.00 0.00 C ATOM 1091 C HIS B 16 95.388 -18.906 40.782 1.00 0.00 C ATOM 1092 O HIS B 16 95.042 -17.758 40.589 1.00 0.00 O ATOM 1093 CB HIS B 16 93.989 -20.787 39.881 1.00 0.00 C ATOM 1094 CG HIS B 16 93.538 -21.375 38.564 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.197 -21.605 38.275 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.232 -21.768 37.446 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.131 -22.115 37.032 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.341 -22.233 36.487 1.00 0.00 N ATOM 0 H HIS B 16 96.274 -21.835 39.914 1.00 0.00 H new ATOM 0 HA HIS B 16 95.223 -19.480 38.703 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.170 -21.585 40.601 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.202 -20.156 40.295 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.305 -21.723 37.330 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.212 -22.394 36.538 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.566 -22.590 35.559 1.00 0.00 H new ATOM 1106 N SER B 17 95.883 -19.274 41.934 1.00 0.00 N ATOM 1107 CA SER B 17 96.017 -18.273 43.020 1.00 0.00 C ATOM 1108 C SER B 17 96.927 -17.140 42.535 1.00 0.00 C ATOM 1109 O SER B 17 96.601 -15.977 42.666 1.00 0.00 O ATOM 1110 CB SER B 17 96.631 -18.940 44.256 1.00 0.00 C ATOM 1111 OG SER B 17 97.977 -19.293 43.983 1.00 0.00 O ATOM 0 H SER B 17 96.196 -20.217 42.164 1.00 0.00 H new ATOM 0 HA SER B 17 95.038 -17.872 43.283 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.587 -18.262 45.108 1.00 0.00 H new ATOM 0 HB3 SER B 17 96.059 -19.828 44.526 1.00 0.00 H new ATOM 0 HG SER B 17 98.010 -20.204 43.624 1.00 0.00 H new ATOM 1117 N ASN B 18 98.056 -17.465 41.948 1.00 0.00 N ATOM 1118 CA ASN B 18 98.965 -16.397 41.432 1.00 0.00 C ATOM 1119 C ASN B 18 98.651 -16.153 39.951 1.00 0.00 C ATOM 1120 O ASN B 18 99.243 -16.755 39.076 1.00 0.00 O ATOM 1121 CB ASN B 18 100.424 -16.847 41.573 1.00 0.00 C ATOM 1122 CG ASN B 18 100.755 -17.081 43.052 1.00 0.00 C ATOM 1123 OD1 ASN B 18 101.175 -18.158 43.429 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.599 -16.110 43.906 1.00 0.00 N ATOM 0 H ASN B 18 98.384 -18.420 41.806 1.00 0.00 H new ATOM 0 HA ASN B 18 98.815 -15.480 42.003 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.588 -17.763 41.005 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.089 -16.090 41.157 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.829 -16.254 44.889 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.247 -15.206 43.591 1.00 0.00 H new ATOM 1131 N TRP B 19 97.724 -15.281 39.663 1.00 0.00 N ATOM 1132 CA TRP B 19 97.373 -15.010 38.239 1.00 0.00 C ATOM 1133 C TRP B 19 98.527 -14.266 37.563 1.00 0.00 C ATOM 1134 O TRP B 19 98.707 -14.335 36.365 1.00 0.00 O ATOM 1135 CB TRP B 19 96.092 -14.171 38.158 1.00 0.00 C ATOM 1136 CG TRP B 19 96.296 -12.844 38.814 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.927 -12.538 40.078 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.909 -11.641 38.265 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.268 -11.223 40.339 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.874 -10.627 39.254 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.483 -11.328 37.020 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.390 -9.351 39.013 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.002 -10.047 36.775 1.00 0.00 C ATOM 1144 CH2 TRP B 19 97.955 -9.060 37.769 1.00 0.00 C ATOM 0 H TRP B 19 97.195 -14.745 40.351 1.00 0.00 H new ATOM 0 HA TRP B 19 97.202 -15.957 37.727 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.808 -14.029 37.115 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.272 -14.701 38.642 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.444 -13.211 40.771 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.092 -10.752 41.226 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.525 -12.080 36.246 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.352 -8.595 39.783 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.440 -9.820 35.814 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.355 -8.076 37.573 1.00 0.00 H new ATOM 1155 N ARG B 20 99.313 -13.556 38.326 1.00 0.00 N ATOM 1156 CA ARG B 20 100.457 -12.809 37.730 1.00 0.00 C ATOM 1157 C ARG B 20 101.415 -13.794 37.057 1.00 0.00 C ATOM 1158 O ARG B 20 101.943 -13.531 35.996 1.00 0.00 O ATOM 1159 CB ARG B 20 101.198 -12.046 38.835 1.00 0.00 C ATOM 1160 CG ARG B 20 100.327 -10.895 39.328 1.00 0.00 C ATOM 1161 CD ARG B 20 101.059 -10.130 40.433 1.00 0.00 C ATOM 1162 NE ARG B 20 100.157 -9.077 40.980 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.441 -8.500 42.115 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.523 -8.837 42.760 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.651 -7.578 42.601 1.00 0.00 N ATOM 0 H ARG B 20 99.212 -13.461 39.337 1.00 0.00 H new ATOM 0 HA ARG B 20 100.084 -12.103 36.988 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.434 -12.718 39.661 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.145 -11.663 38.455 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.093 -10.224 38.502 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.379 -11.279 39.705 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.362 -10.814 41.226 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.968 -9.677 40.038 1.00 0.00 H new ATOM 0 HE ARG B 20 99.318 -8.808 40.467 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.144 -9.550 42.377 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.748 -8.388 43.648 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.809 -7.308 42.092 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.877 -7.129 43.489 1.00 0.00 H new ATOM 1179 N ALA B 21 101.646 -14.927 37.659 1.00 0.00 N ATOM 1180 CA ALA B 21 102.572 -15.917 37.041 1.00 0.00 C ATOM 1181 C ALA B 21 102.029 -16.323 35.675 1.00 0.00 C ATOM 1182 O ALA B 21 102.767 -16.464 34.720 1.00 0.00 O ATOM 1183 CB ALA B 21 102.676 -17.153 37.934 1.00 0.00 C ATOM 0 H ALA B 21 101.236 -15.210 38.549 1.00 0.00 H new ATOM 0 HA ALA B 21 103.560 -15.471 36.929 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.354 -17.875 37.479 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.058 -16.864 38.913 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.690 -17.603 38.048 1.00 0.00 H new ATOM 1189 N MET B 22 100.743 -16.514 35.570 1.00 0.00 N ATOM 1190 CA MET B 22 100.155 -16.907 34.262 1.00 0.00 C ATOM 1191 C MET B 22 100.452 -15.817 33.238 1.00 0.00 C ATOM 1192 O MET B 22 100.855 -16.089 32.125 1.00 0.00 O ATOM 1193 CB MET B 22 98.637 -17.057 34.403 1.00 0.00 C ATOM 1194 CG MET B 22 98.053 -17.690 33.137 1.00 0.00 C ATOM 1195 SD MET B 22 96.271 -17.379 33.077 1.00 0.00 S ATOM 1196 CE MET B 22 95.856 -18.080 34.691 1.00 0.00 C ATOM 0 H MET B 22 100.075 -16.415 36.334 1.00 0.00 H new ATOM 0 HA MET B 22 100.586 -17.855 33.939 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.403 -17.675 35.270 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.181 -16.082 34.575 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.536 -17.274 32.253 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.247 -18.763 33.131 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.814 -18.401 34.691 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.500 -18.936 34.892 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.004 -17.326 35.464 1.00 0.00 H new ATOM 1206 N ALA B 23 100.252 -14.584 33.610 1.00 0.00 N ATOM 1207 CA ALA B 23 100.515 -13.470 32.661 1.00 0.00 C ATOM 1208 C ALA B 23 102.002 -13.448 32.293 1.00 0.00 C ATOM 1209 O ALA B 23 102.369 -13.254 31.147 1.00 0.00 O ATOM 1210 CB ALA B 23 100.128 -12.148 33.330 1.00 0.00 C ATOM 0 H ALA B 23 99.918 -14.300 34.531 1.00 0.00 H new ATOM 0 HA ALA B 23 99.927 -13.610 31.754 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.317 -11.323 32.643 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.070 -12.168 33.591 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.722 -12.010 34.234 1.00 0.00 H new ATOM 1216 N SER B 24 102.856 -13.639 33.258 1.00 0.00 N ATOM 1217 CA SER B 24 104.319 -13.624 32.981 1.00 0.00 C ATOM 1218 C SER B 24 104.713 -14.837 32.141 1.00 0.00 C ATOM 1219 O SER B 24 105.532 -14.743 31.248 1.00 0.00 O ATOM 1220 CB SER B 24 105.091 -13.638 34.304 1.00 0.00 C ATOM 1221 OG SER B 24 106.485 -13.628 34.032 1.00 0.00 O ATOM 0 H SER B 24 102.603 -13.806 34.232 1.00 0.00 H new ATOM 0 HA SER B 24 104.564 -12.719 32.425 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.820 -12.771 34.906 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.828 -14.523 34.883 1.00 0.00 H new ATOM 0 HG SER B 24 106.983 -13.635 34.876 1.00 0.00 H new ATOM 1227 N ASP B 25 104.154 -15.976 32.430 1.00 0.00 N ATOM 1228 CA ASP B 25 104.510 -17.199 31.661 1.00 0.00 C ATOM 1229 C ASP B 25 104.159 -17.016 30.183 1.00 0.00 C ATOM 1230 O ASP B 25 104.893 -17.430 29.306 1.00 0.00 O ATOM 1231 CB ASP B 25 103.727 -18.390 32.219 1.00 0.00 C ATOM 1232 CG ASP B 25 104.249 -18.740 33.612 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.455 -18.861 33.757 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.435 -18.884 34.510 1.00 0.00 O ATOM 0 H ASP B 25 103.464 -16.114 33.168 1.00 0.00 H new ATOM 0 HA ASP B 25 105.581 -17.378 31.753 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.665 -18.149 32.268 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.829 -19.248 31.555 1.00 0.00 H new ATOM 1239 N PHE B 26 103.038 -16.402 29.903 1.00 0.00 N ATOM 1240 CA PHE B 26 102.620 -16.195 28.479 1.00 0.00 C ATOM 1241 C PHE B 26 102.913 -14.755 28.059 1.00 0.00 C ATOM 1242 O PHE B 26 102.601 -14.354 26.958 1.00 0.00 O ATOM 1243 CB PHE B 26 101.122 -16.478 28.345 1.00 0.00 C ATOM 1244 CG PHE B 26 100.886 -17.963 28.489 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.697 -18.526 29.758 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.865 -18.783 27.354 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.487 -19.905 29.890 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.655 -20.160 27.485 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.466 -20.723 28.753 1.00 0.00 C ATOM 0 H PHE B 26 102.391 -16.033 30.600 1.00 0.00 H new ATOM 0 HA PHE B 26 103.177 -16.874 27.834 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.566 -15.933 29.108 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.759 -16.131 27.378 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.713 -17.896 30.635 1.00 0.00 H new ATOM 0 HD2 PHE B 26 101.011 -18.351 26.375 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.341 -20.338 30.869 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.639 -20.789 26.607 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.304 -21.786 28.854 1.00 0.00 H new ATOM 1259 N ASN B 27 103.519 -13.978 28.920 1.00 0.00 N ATOM 1260 CA ASN B 27 103.843 -12.567 28.561 1.00 0.00 C ATOM 1261 C ASN B 27 102.579 -11.834 28.105 1.00 0.00 C ATOM 1262 O ASN B 27 102.601 -11.094 27.139 1.00 0.00 O ATOM 1263 CB ASN B 27 104.885 -12.551 27.439 1.00 0.00 C ATOM 1264 CG ASN B 27 106.162 -13.239 27.930 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.640 -14.175 27.314 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.742 -12.809 29.023 1.00 0.00 N ATOM 0 H ASN B 27 103.803 -14.262 29.858 1.00 0.00 H new ATOM 0 HA ASN B 27 104.245 -12.060 29.438 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.497 -13.063 26.558 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.101 -11.525 27.142 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.594 -13.258 29.359 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.341 -12.025 29.538 1.00 0.00 H new ATOM 1273 N LEU B 28 101.481 -12.027 28.796 1.00 0.00 N ATOM 1274 CA LEU B 28 100.202 -11.340 28.421 1.00 0.00 C ATOM 1275 C LEU B 28 99.845 -10.346 29.533 1.00 0.00 C ATOM 1276 O LEU B 28 100.189 -10.554 30.678 1.00 0.00 O ATOM 1277 CB LEU B 28 99.089 -12.387 28.298 1.00 0.00 C ATOM 1278 CG LEU B 28 99.355 -13.292 27.085 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.456 -14.524 27.169 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.069 -12.533 25.774 1.00 0.00 C ATOM 0 H LEU B 28 101.415 -12.636 29.611 1.00 0.00 H new ATOM 0 HA LEU B 28 100.314 -10.817 27.471 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.040 -12.987 29.207 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.123 -11.893 28.190 1.00 0.00 H new ATOM 0 HG LEU B 28 100.402 -13.596 27.092 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.641 -15.169 26.310 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.673 -15.071 28.087 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.411 -14.213 27.170 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.262 -13.188 24.925 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.026 -12.216 25.757 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.716 -11.658 25.712 1.00 0.00 H new ATOM 1292 N PRO B 29 99.174 -9.266 29.217 1.00 0.00 N ATOM 1293 CA PRO B 29 98.809 -8.251 30.245 1.00 0.00 C ATOM 1294 C PRO B 29 97.737 -8.784 31.216 1.00 0.00 C ATOM 1295 O PRO B 29 96.897 -9.575 30.834 1.00 0.00 O ATOM 1296 CB PRO B 29 98.270 -7.069 29.420 1.00 0.00 C ATOM 1297 CG PRO B 29 97.777 -7.687 28.151 1.00 0.00 C ATOM 1298 CD PRO B 29 98.691 -8.885 27.877 1.00 0.00 C ATOM 0 HA PRO B 29 99.655 -7.977 30.875 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.468 -6.552 29.946 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.050 -6.333 29.225 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.739 -8.004 28.250 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.815 -6.972 27.329 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.150 -9.701 27.399 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.515 -8.618 27.215 1.00 0.00 H new ATOM 1306 N PRO B 30 97.760 -8.353 32.460 1.00 0.00 N ATOM 1307 CA PRO B 30 96.769 -8.799 33.476 1.00 0.00 C ATOM 1308 C PRO B 30 95.353 -8.913 32.897 1.00 0.00 C ATOM 1309 O PRO B 30 94.494 -9.558 33.457 1.00 0.00 O ATOM 1310 CB PRO B 30 96.824 -7.687 34.537 1.00 0.00 C ATOM 1311 CG PRO B 30 98.215 -7.128 34.460 1.00 0.00 C ATOM 1312 CD PRO B 30 98.726 -7.394 33.034 1.00 0.00 C ATOM 0 HA PRO B 30 97.000 -9.791 33.864 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.080 -6.916 34.337 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.614 -8.082 35.531 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.214 -6.060 34.677 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.863 -7.602 35.197 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.765 -6.475 32.450 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.734 -7.807 33.046 1.00 0.00 H new ATOM 1320 N VAL B 31 95.097 -8.258 31.800 1.00 0.00 N ATOM 1321 CA VAL B 31 93.732 -8.299 31.211 1.00 0.00 C ATOM 1322 C VAL B 31 93.331 -9.733 30.870 1.00 0.00 C ATOM 1323 O VAL B 31 92.262 -10.186 31.228 1.00 0.00 O ATOM 1324 CB VAL B 31 93.727 -7.453 29.934 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.418 -7.654 29.164 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.882 -5.979 30.304 1.00 0.00 C ATOM 0 H VAL B 31 95.775 -7.696 31.286 1.00 0.00 H new ATOM 0 HA VAL B 31 93.018 -7.906 31.935 1.00 0.00 H new ATOM 0 HB VAL B 31 94.557 -7.764 29.300 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.431 -7.046 28.260 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.313 -8.705 28.893 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.578 -7.355 29.790 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.879 -5.374 29.397 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.054 -5.676 30.945 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.824 -5.834 30.834 1.00 0.00 H new ATOM 1336 N VAL B 32 94.157 -10.447 30.171 1.00 0.00 N ATOM 1337 CA VAL B 32 93.780 -11.839 29.808 1.00 0.00 C ATOM 1338 C VAL B 32 93.743 -12.698 31.072 1.00 0.00 C ATOM 1339 O VAL B 32 92.850 -13.498 31.268 1.00 0.00 O ATOM 1340 CB VAL B 32 94.799 -12.395 28.812 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.559 -13.889 28.607 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.649 -11.662 27.476 1.00 0.00 C ATOM 0 H VAL B 32 95.069 -10.135 29.836 1.00 0.00 H new ATOM 0 HA VAL B 32 92.793 -11.851 29.345 1.00 0.00 H new ATOM 0 HB VAL B 32 95.806 -12.246 29.201 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.287 -14.280 27.897 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.665 -14.409 29.559 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.553 -14.046 28.218 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.373 -12.055 26.762 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.641 -11.812 27.090 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.826 -10.597 27.624 1.00 0.00 H new ATOM 1352 N ALA B 33 94.705 -12.541 31.932 1.00 0.00 N ATOM 1353 CA ALA B 33 94.721 -13.348 33.181 1.00 0.00 C ATOM 1354 C ALA B 33 93.518 -12.973 34.052 1.00 0.00 C ATOM 1355 O ALA B 33 92.888 -13.823 34.650 1.00 0.00 O ATOM 1356 CB ALA B 33 96.025 -13.084 33.939 1.00 0.00 C ATOM 0 H ALA B 33 95.482 -11.889 31.825 1.00 0.00 H new ATOM 0 HA ALA B 33 94.660 -14.408 32.934 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.039 -13.674 34.855 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.873 -13.364 33.314 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.093 -12.025 34.189 1.00 0.00 H new ATOM 1362 N LYS B 34 93.187 -11.708 34.131 1.00 0.00 N ATOM 1363 CA LYS B 34 92.018 -11.290 34.965 1.00 0.00 C ATOM 1364 C LYS B 34 90.736 -11.942 34.440 1.00 0.00 C ATOM 1365 O LYS B 34 89.898 -12.373 35.204 1.00 0.00 O ATOM 1366 CB LYS B 34 91.880 -9.763 34.928 1.00 0.00 C ATOM 1367 CG LYS B 34 92.974 -9.100 35.794 1.00 0.00 C ATOM 1368 CD LYS B 34 92.557 -9.086 37.273 1.00 0.00 C ATOM 1369 CE LYS B 34 93.547 -8.239 38.079 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.597 -6.859 37.517 1.00 0.00 N ATOM 0 H LYS B 34 93.674 -10.948 33.655 1.00 0.00 H new ATOM 0 HA LYS B 34 92.180 -11.613 35.993 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.958 -9.410 33.900 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.894 -9.472 35.291 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.913 -9.641 35.680 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.150 -8.081 35.450 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.550 -8.680 37.373 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.531 -10.103 37.664 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.245 -8.206 39.126 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.538 -8.692 38.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 93.852 -6.187 38.269 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.309 -6.818 36.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.665 -6.608 37.130 1.00 0.00 H new ATOM 1384 N GLU B 35 90.575 -12.028 33.146 1.00 0.00 N ATOM 1385 CA GLU B 35 89.334 -12.647 32.598 1.00 0.00 C ATOM 1386 C GLU B 35 89.224 -14.106 33.069 1.00 0.00 C ATOM 1387 O GLU B 35 88.163 -14.554 33.461 1.00 0.00 O ATOM 1388 CB GLU B 35 89.376 -12.596 31.064 1.00 0.00 C ATOM 1389 CG GLU B 35 88.061 -13.132 30.488 1.00 0.00 C ATOM 1390 CD GLU B 35 88.068 -14.664 30.510 1.00 0.00 C ATOM 1391 OE1 GLU B 35 89.019 -15.242 30.006 1.00 0.00 O ATOM 1392 OE2 GLU B 35 87.126 -15.233 31.034 1.00 0.00 O ATOM 0 H GLU B 35 91.244 -11.699 32.450 1.00 0.00 H new ATOM 0 HA GLU B 35 88.465 -12.095 32.956 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.539 -11.571 30.730 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.213 -13.188 30.695 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.219 -12.755 31.069 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.929 -12.775 29.467 1.00 0.00 H new ATOM 1399 N ILE B 36 90.296 -14.847 33.035 1.00 0.00 N ATOM 1400 CA ILE B 36 90.233 -16.270 33.481 1.00 0.00 C ATOM 1401 C ILE B 36 89.863 -16.305 34.965 1.00 0.00 C ATOM 1402 O ILE B 36 89.069 -17.115 35.403 1.00 0.00 O ATOM 1403 CB ILE B 36 91.601 -16.931 33.251 1.00 0.00 C ATOM 1404 CG1 ILE B 36 91.873 -16.989 31.745 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.589 -18.351 33.825 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.334 -17.367 31.492 1.00 0.00 C ATOM 0 H ILE B 36 91.213 -14.531 32.718 1.00 0.00 H new ATOM 0 HA ILE B 36 89.480 -16.816 32.912 1.00 0.00 H new ATOM 0 HB ILE B 36 92.380 -16.353 33.747 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.213 -17.719 31.276 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.655 -16.023 31.290 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.560 -18.818 33.661 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.382 -18.309 34.894 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.816 -18.938 33.329 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.519 -17.406 30.419 1.00 0.00 H new ATOM 0 HD12 ILE B 36 93.987 -16.621 31.946 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.538 -18.343 31.931 1.00 0.00 H new ATOM 1418 N VAL B 37 90.412 -15.406 35.733 1.00 0.00 N ATOM 1419 CA VAL B 37 90.087 -15.348 37.186 1.00 0.00 C ATOM 1420 C VAL B 37 88.593 -15.050 37.345 1.00 0.00 C ATOM 1421 O VAL B 37 87.926 -15.598 38.198 1.00 0.00 O ATOM 1422 CB VAL B 37 90.908 -14.228 37.839 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.421 -13.979 39.272 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.385 -14.627 37.866 1.00 0.00 C ATOM 0 H VAL B 37 91.078 -14.703 35.414 1.00 0.00 H new ATOM 0 HA VAL B 37 90.325 -16.298 37.664 1.00 0.00 H new ATOM 0 HB VAL B 37 90.784 -13.314 37.258 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.012 -13.182 39.724 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.371 -13.687 39.254 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.534 -14.891 39.858 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.968 -13.832 38.330 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.503 -15.546 38.440 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.737 -14.788 36.847 1.00 0.00 H new ATOM 1434 N ALA B 38 88.073 -14.181 36.522 1.00 0.00 N ATOM 1435 CA ALA B 38 86.628 -13.824 36.605 1.00 0.00 C ATOM 1436 C ALA B 38 85.764 -15.041 36.269 1.00 0.00 C ATOM 1437 O ALA B 38 84.734 -15.269 36.873 1.00 0.00 O ATOM 1438 CB ALA B 38 86.328 -12.716 35.597 1.00 0.00 C ATOM 0 H ALA B 38 88.592 -13.699 35.789 1.00 0.00 H new ATOM 0 HA ALA B 38 86.403 -13.489 37.617 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.272 -12.450 35.652 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.935 -11.841 35.827 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.562 -13.066 34.591 1.00 0.00 H new ATOM 1444 N SER B 39 86.164 -15.811 35.302 1.00 0.00 N ATOM 1445 CA SER B 39 85.347 -16.996 34.923 1.00 0.00 C ATOM 1446 C SER B 39 85.447 -18.061 36.016 1.00 0.00 C ATOM 1447 O SER B 39 84.476 -18.708 36.355 1.00 0.00 O ATOM 1448 CB SER B 39 85.852 -17.575 33.601 1.00 0.00 C ATOM 1449 OG SER B 39 85.530 -16.677 32.547 1.00 0.00 O ATOM 0 H SER B 39 87.016 -15.675 34.759 1.00 0.00 H new ATOM 0 HA SER B 39 84.307 -16.689 34.808 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.930 -17.731 33.646 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.396 -18.548 33.418 1.00 0.00 H new ATOM 0 HG SER B 39 86.354 -16.293 32.181 1.00 0.00 H new ATOM 1455 N CYS B 40 86.611 -18.246 36.579 1.00 0.00 N ATOM 1456 CA CYS B 40 86.745 -19.266 37.653 1.00 0.00 C ATOM 1457 C CYS B 40 86.129 -18.703 38.935 1.00 0.00 C ATOM 1458 O CYS B 40 86.708 -17.876 39.609 1.00 0.00 O ATOM 1459 CB CYS B 40 88.224 -19.603 37.877 1.00 0.00 C ATOM 1460 SG CYS B 40 88.357 -21.038 38.980 1.00 0.00 S ATOM 0 H CYS B 40 87.465 -17.740 36.344 1.00 0.00 H new ATOM 0 HA CYS B 40 86.227 -20.181 37.366 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.708 -19.817 36.924 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.741 -18.748 38.312 1.00 0.00 H new ATOM 1465 N ASP B 41 84.950 -19.149 39.259 1.00 0.00 N ATOM 1466 CA ASP B 41 84.253 -18.662 40.481 1.00 0.00 C ATOM 1467 C ASP B 41 85.075 -18.972 41.730 1.00 0.00 C ATOM 1468 O ASP B 41 85.146 -18.177 42.646 1.00 0.00 O ATOM 1469 CB ASP B 41 82.892 -19.351 40.587 1.00 0.00 C ATOM 1470 CG ASP B 41 81.937 -18.761 39.547 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.877 -17.543 39.448 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.284 -19.536 38.866 1.00 0.00 O ATOM 0 H ASP B 41 84.431 -19.842 38.720 1.00 0.00 H new ATOM 0 HA ASP B 41 84.125 -17.582 40.408 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.002 -20.424 40.427 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.483 -19.218 41.588 1.00 0.00 H new ATOM 1477 N LYS B 42 85.688 -20.119 41.791 1.00 0.00 N ATOM 1478 CA LYS B 42 86.484 -20.458 43.004 1.00 0.00 C ATOM 1479 C LYS B 42 87.571 -19.405 43.200 1.00 0.00 C ATOM 1480 O LYS B 42 87.922 -19.061 44.311 1.00 0.00 O ATOM 1481 CB LYS B 42 87.135 -21.837 42.835 1.00 0.00 C ATOM 1482 CG LYS B 42 86.066 -22.928 42.931 1.00 0.00 C ATOM 1483 CD LYS B 42 86.664 -24.285 42.532 1.00 0.00 C ATOM 1484 CE LYS B 42 87.884 -24.602 43.405 1.00 0.00 C ATOM 1485 NZ LYS B 42 88.167 -26.067 43.354 1.00 0.00 N ATOM 0 H LYS B 42 85.674 -20.832 41.061 1.00 0.00 H new ATOM 0 HA LYS B 42 85.826 -20.478 43.873 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.642 -21.895 41.872 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.893 -21.989 43.604 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.676 -22.978 43.948 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.227 -22.685 42.279 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.914 -25.068 42.644 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.954 -24.268 41.481 1.00 0.00 H new ATOM 0 HE2 LYS B 42 88.751 -24.041 43.055 1.00 0.00 H new ATOM 0 HE3 LYS B 42 87.699 -24.292 44.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.995 -26.282 43.946 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 87.342 -26.592 43.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.362 -26.349 42.372 1.00 0.00 H new ATOM 1499 N CYS B 43 88.113 -18.893 42.134 1.00 0.00 N ATOM 1500 CA CYS B 43 89.185 -17.872 42.271 1.00 0.00 C ATOM 1501 C CYS B 43 88.603 -16.522 42.716 1.00 0.00 C ATOM 1502 O CYS B 43 88.962 -15.990 43.749 1.00 0.00 O ATOM 1503 CB CYS B 43 89.879 -17.672 40.928 1.00 0.00 C ATOM 1504 SG CYS B 43 90.770 -19.167 40.468 1.00 0.00 S ATOM 0 H CYS B 43 87.861 -19.136 41.176 1.00 0.00 H new ATOM 0 HA CYS B 43 89.892 -18.227 43.021 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.143 -17.427 40.162 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.570 -16.831 40.988 1.00 0.00 H new ATOM 1509 N GLN B 44 87.745 -15.941 41.921 1.00 0.00 N ATOM 1510 CA GLN B 44 87.183 -14.600 42.278 1.00 0.00 C ATOM 1511 C GLN B 44 86.150 -14.701 43.407 1.00 0.00 C ATOM 1512 O GLN B 44 86.285 -14.073 44.437 1.00 0.00 O ATOM 1513 CB GLN B 44 86.528 -13.986 41.038 1.00 0.00 C ATOM 1514 CG GLN B 44 86.175 -12.521 41.312 1.00 0.00 C ATOM 1515 CD GLN B 44 85.697 -11.858 40.012 1.00 0.00 C ATOM 1516 OE1 GLN B 44 84.964 -12.454 39.246 1.00 0.00 O ATOM 1517 NE2 GLN B 44 86.090 -10.644 39.725 1.00 0.00 N ATOM 0 H GLN B 44 87.408 -16.333 41.042 1.00 0.00 H new ATOM 0 HA GLN B 44 88.000 -13.969 42.629 1.00 0.00 H new ATOM 0 HB2 GLN B 44 87.205 -14.054 40.186 1.00 0.00 H new ATOM 0 HB3 GLN B 44 85.629 -14.544 40.776 1.00 0.00 H new ATOM 0 HG2 GLN B 44 85.396 -12.459 42.072 1.00 0.00 H new ATOM 0 HG3 GLN B 44 87.045 -11.993 41.704 1.00 0.00 H new ATOM 0 HE21 GLN B 44 86.705 -10.142 40.366 1.00 0.00 H new ATOM 0 HE22 GLN B 44 85.782 -10.199 38.860 1.00 0.00 H new ATOM 1526 N LEU B 45 85.113 -15.465 43.221 1.00 0.00 N ATOM 1527 CA LEU B 45 84.072 -15.575 44.291 1.00 0.00 C ATOM 1528 C LEU B 45 84.600 -16.406 45.466 1.00 0.00 C ATOM 1529 O LEU B 45 85.197 -17.447 45.284 1.00 0.00 O ATOM 1530 CB LEU B 45 82.817 -16.247 43.729 1.00 0.00 C ATOM 1531 CG LEU B 45 82.275 -15.447 42.534 1.00 0.00 C ATOM 1532 CD1 LEU B 45 81.021 -16.147 41.997 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.911 -14.013 42.972 1.00 0.00 C ATOM 0 H LEU B 45 84.937 -16.017 42.382 1.00 0.00 H new ATOM 0 HA LEU B 45 83.829 -14.571 44.640 1.00 0.00 H new ATOM 0 HB2 LEU B 45 83.049 -17.266 43.418 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.055 -16.317 44.505 1.00 0.00 H new ATOM 0 HG LEU B 45 83.039 -15.395 41.759 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.627 -15.588 41.148 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.277 -17.158 41.679 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.266 -16.194 42.782 1.00 0.00 H new ATOM 0 HD21 LEU B 45 81.528 -13.457 42.116 1.00 0.00 H new ATOM 0 HD22 LEU B 45 81.148 -14.053 43.749 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.799 -13.515 43.361 1.00 0.00 H new ATOM 1545 N LYS B 46 84.367 -15.962 46.676 1.00 0.00 N ATOM 1546 CA LYS B 46 84.836 -16.729 47.868 1.00 0.00 C ATOM 1547 C LYS B 46 83.759 -17.743 48.274 1.00 0.00 C ATOM 1548 O LYS B 46 82.582 -17.525 48.070 1.00 0.00 O ATOM 1549 CB LYS B 46 85.103 -15.758 49.026 1.00 0.00 C ATOM 1550 CG LYS B 46 86.194 -14.744 48.629 1.00 0.00 C ATOM 1551 CD LYS B 46 87.564 -15.435 48.545 1.00 0.00 C ATOM 1552 CE LYS B 46 88.668 -14.377 48.525 1.00 0.00 C ATOM 1553 NZ LYS B 46 88.781 -13.748 49.871 1.00 0.00 N ATOM 0 H LYS B 46 83.870 -15.097 46.889 1.00 0.00 H new ATOM 0 HA LYS B 46 85.757 -17.260 47.626 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.185 -15.232 49.288 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.416 -16.313 49.911 1.00 0.00 H new ATOM 0 HG2 LYS B 46 85.948 -14.293 47.668 1.00 0.00 H new ATOM 0 HG3 LYS B 46 86.231 -13.936 49.360 1.00 0.00 H new ATOM 0 HD2 LYS B 46 87.700 -16.102 49.397 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.619 -16.050 47.647 1.00 0.00 H new ATOM 0 HE2 LYS B 46 89.618 -14.833 48.244 1.00 0.00 H new ATOM 0 HE3 LYS B 46 88.445 -13.618 47.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.741 -13.370 49.998 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 88.091 -12.974 49.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.590 -14.460 50.604 1.00 0.00 H new ATOM 1567 N GLY B 47 84.166 -18.856 48.824 1.00 0.00 N ATOM 1568 CA GLY B 47 83.185 -19.912 49.232 1.00 0.00 C ATOM 1569 C GLY B 47 81.950 -19.282 49.886 1.00 0.00 C ATOM 1570 O GLY B 47 80.944 -19.060 49.240 1.00 0.00 O ATOM 0 H GLY B 47 85.143 -19.083 49.011 1.00 0.00 H new ATOM 0 HA2 GLY B 47 82.884 -20.492 48.360 1.00 0.00 H new ATOM 0 HA3 GLY B 47 83.658 -20.605 49.928 1.00 0.00 H new ATOM 1574 N GLU B 48 82.013 -19.004 51.164 1.00 0.00 N ATOM 1575 CA GLU B 48 80.832 -18.402 51.854 1.00 0.00 C ATOM 1576 C GLU B 48 80.706 -16.932 51.452 1.00 0.00 C ATOM 1577 O GLU B 48 81.600 -16.142 51.667 1.00 0.00 O ATOM 1578 CB GLU B 48 81.024 -18.500 53.371 1.00 0.00 C ATOM 1579 CG GLU B 48 81.021 -19.970 53.804 1.00 0.00 C ATOM 1580 CD GLU B 48 81.215 -20.046 55.317 1.00 0.00 C ATOM 1581 OE1 GLU B 48 80.257 -19.794 56.031 1.00 0.00 O ATOM 1582 OE2 GLU B 48 82.315 -20.371 55.738 1.00 0.00 O ATOM 0 H GLU B 48 82.827 -19.167 51.757 1.00 0.00 H new ATOM 0 HA GLU B 48 79.928 -18.939 51.566 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.964 -18.029 53.658 1.00 0.00 H new ATOM 0 HB3 GLU B 48 80.228 -17.960 53.883 1.00 0.00 H new ATOM 0 HG2 GLU B 48 80.081 -20.443 53.521 1.00 0.00 H new ATOM 0 HG3 GLU B 48 81.817 -20.513 53.295 1.00 0.00 H new ATOM 1589 N ALA B 49 79.605 -16.561 50.849 1.00 0.00 N ATOM 1590 CA ALA B 49 79.425 -15.141 50.408 1.00 0.00 C ATOM 1591 C ALA B 49 78.554 -14.362 51.405 1.00 0.00 C ATOM 1592 O ALA B 49 77.345 -14.452 51.385 1.00 0.00 O ATOM 1593 CB ALA B 49 78.741 -15.131 49.041 1.00 0.00 C ATOM 0 H ALA B 49 78.821 -17.180 50.642 1.00 0.00 H new ATOM 0 HA ALA B 49 80.404 -14.665 50.354 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.605 -14.101 48.710 1.00 0.00 H new ATOM 0 HB2 ALA B 49 79.360 -15.665 48.320 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.769 -15.619 49.117 1.00 0.00 H new ATOM 1599 N MET B 50 79.161 -13.571 52.252 1.00 0.00 N ATOM 1600 CA MET B 50 78.378 -12.753 53.233 1.00 0.00 C ATOM 1601 C MET B 50 77.196 -13.546 53.799 1.00 0.00 C ATOM 1602 O MET B 50 76.067 -13.091 53.774 1.00 0.00 O ATOM 1603 CB MET B 50 77.859 -11.491 52.540 1.00 0.00 C ATOM 1604 CG MET B 50 77.455 -10.456 53.595 1.00 0.00 C ATOM 1605 SD MET B 50 76.862 -8.955 52.778 1.00 0.00 S ATOM 1606 CE MET B 50 76.397 -8.054 54.280 1.00 0.00 C ATOM 0 H MET B 50 80.173 -13.454 52.308 1.00 0.00 H new ATOM 0 HA MET B 50 79.036 -12.485 54.059 1.00 0.00 H new ATOM 0 HB2 MET B 50 78.629 -11.079 51.888 1.00 0.00 H new ATOM 0 HB3 MET B 50 77.004 -11.735 51.909 1.00 0.00 H new ATOM 0 HG2 MET B 50 76.676 -10.864 54.239 1.00 0.00 H new ATOM 0 HG3 MET B 50 78.306 -10.222 54.234 1.00 0.00 H new ATOM 0 HE1 MET B 50 75.997 -7.077 54.009 1.00 0.00 H new ATOM 0 HE2 MET B 50 75.639 -8.619 54.823 1.00 0.00 H new ATOM 0 HE3 MET B 50 77.275 -7.924 54.913 1.00 0.00 H new ATOM 1616 N HIS B 51 77.432 -14.724 54.301 1.00 0.00 N ATOM 1617 CA HIS B 51 76.305 -15.523 54.854 1.00 0.00 C ATOM 1618 C HIS B 51 75.652 -14.742 55.998 1.00 0.00 C ATOM 1619 O HIS B 51 74.450 -14.712 56.125 1.00 0.00 O ATOM 1620 CB HIS B 51 76.831 -16.858 55.382 1.00 0.00 C ATOM 1621 CG HIS B 51 75.688 -17.658 55.939 1.00 0.00 C ATOM 1622 ND1 HIS B 51 75.286 -17.551 57.265 1.00 0.00 N ATOM 1623 CD2 HIS B 51 74.849 -18.578 55.363 1.00 0.00 C ATOM 1624 CE1 HIS B 51 74.242 -18.384 57.440 1.00 0.00 C ATOM 1625 NE2 HIS B 51 73.939 -19.033 56.312 1.00 0.00 N ATOM 0 H HIS B 51 78.350 -15.166 54.353 1.00 0.00 H new ATOM 0 HA HIS B 51 75.571 -15.712 54.070 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.321 -17.411 54.581 1.00 0.00 H new ATOM 0 HB3 HIS B 51 77.580 -16.686 56.155 1.00 0.00 H new ATOM 0 HD2 HIS B 51 74.889 -18.899 54.333 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.716 -18.511 58.375 1.00 0.00 H new ATOM 0 HE2 HIS B 51 73.196 -19.718 56.175 1.00 0.00 H new ATOM 1633 N GLY B 52 76.441 -14.097 56.823 1.00 0.00 N ATOM 1634 CA GLY B 52 75.872 -13.300 57.957 1.00 0.00 C ATOM 1635 C GLY B 52 76.589 -13.659 59.259 1.00 0.00 C ATOM 1636 O GLY B 52 77.173 -14.717 59.390 1.00 0.00 O ATOM 0 H GLY B 52 77.459 -14.088 56.760 1.00 0.00 H new ATOM 0 HA2 GLY B 52 75.981 -12.235 57.754 1.00 0.00 H new ATOM 0 HA3 GLY B 52 74.805 -13.499 58.053 1.00 0.00 H new ATOM 1640 N GLN B 53 76.542 -12.781 60.228 1.00 0.00 N ATOM 1641 CA GLN B 53 77.208 -13.058 61.537 1.00 0.00 C ATOM 1642 C GLN B 53 76.181 -13.603 62.524 1.00 0.00 C ATOM 1643 O GLN B 53 76.450 -13.752 63.699 1.00 0.00 O ATOM 1644 CB GLN B 53 77.819 -11.767 62.092 1.00 0.00 C ATOM 1645 CG GLN B 53 79.042 -11.389 61.257 1.00 0.00 C ATOM 1646 CD GLN B 53 79.603 -10.051 61.735 1.00 0.00 C ATOM 1647 OE1 GLN B 53 78.859 -9.173 62.129 1.00 0.00 O ATOM 1648 NE2 GLN B 53 80.892 -9.853 61.715 1.00 0.00 N ATOM 0 H GLN B 53 76.069 -11.879 60.169 1.00 0.00 H new ATOM 0 HA GLN B 53 77.999 -13.794 61.390 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.084 -10.963 62.066 1.00 0.00 H new ATOM 0 HB3 GLN B 53 78.105 -11.905 63.135 1.00 0.00 H new ATOM 0 HG2 GLN B 53 79.804 -12.164 61.341 1.00 0.00 H new ATOM 0 HG3 GLN B 53 78.768 -11.323 60.204 1.00 0.00 H new ATOM 0 HE21 GLN B 53 81.516 -10.589 61.385 1.00 0.00 H new ATOM 0 HE22 GLN B 53 81.276 -8.962 62.030 1.00 0.00 H new ATOM 1657 N VAL B 54 75.006 -13.915 62.047 1.00 0.00 N ATOM 1658 CA VAL B 54 73.940 -14.466 62.942 1.00 0.00 C ATOM 1659 C VAL B 54 73.868 -15.985 62.779 1.00 0.00 C ATOM 1660 O VAL B 54 73.792 -16.505 61.685 1.00 0.00 O ATOM 1661 CB VAL B 54 72.589 -13.847 62.571 1.00 0.00 C ATOM 1662 CG1 VAL B 54 72.671 -12.327 62.703 1.00 0.00 C ATOM 1663 CG2 VAL B 54 72.231 -14.218 61.129 1.00 0.00 C ATOM 0 H VAL B 54 74.734 -13.812 61.069 1.00 0.00 H new ATOM 0 HA VAL B 54 74.177 -14.224 63.978 1.00 0.00 H new ATOM 0 HB VAL B 54 71.820 -14.229 63.243 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.710 -11.886 62.439 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.921 -12.064 63.731 1.00 0.00 H new ATOM 0 HG13 VAL B 54 73.441 -11.945 62.033 1.00 0.00 H new ATOM 0 HG21 VAL B 54 71.269 -13.776 60.868 1.00 0.00 H new ATOM 0 HG22 VAL B 54 72.999 -13.840 60.455 1.00 0.00 H new ATOM 0 HG23 VAL B 54 72.169 -15.302 61.037 1.00 0.00 H new ATOM 1673 N ASP B 55 73.896 -16.701 63.869 1.00 0.00 N ATOM 1674 CA ASP B 55 73.832 -18.189 63.790 1.00 0.00 C ATOM 1675 C ASP B 55 72.368 -18.632 63.810 1.00 0.00 C ATOM 1676 O ASP B 55 71.889 -18.968 64.878 1.00 0.00 O ATOM 1677 CB ASP B 55 74.568 -18.797 64.988 1.00 0.00 C ATOM 1678 CG ASP B 55 74.726 -20.305 64.781 1.00 0.00 C ATOM 1679 OD1 ASP B 55 73.823 -21.033 65.160 1.00 0.00 O ATOM 1680 OD2 ASP B 55 75.744 -20.708 64.241 1.00 0.00 O ATOM 1681 OXT ASP B 55 71.752 -18.627 62.757 1.00 0.00 O ATOM 0 H ASP B 55 73.961 -16.320 64.813 1.00 0.00 H new ATOM 0 HA ASP B 55 74.304 -18.527 62.867 1.00 0.00 H new ATOM 0 HB2 ASP B 55 75.547 -18.331 65.101 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.013 -18.602 65.906 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.189 -1.610 35.738 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.543 -21.227 39.627 1.00 0.00 ZN