USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 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 HE2 : A 12 HIS NE2 : 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 HE2 : B 12 HIS NE2 : 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= -5.58! C(o=-12!,f=-11!) USER MOD Set 1.2: B 44 GLN : amide:sc= -5.11! C(o=-11!,f=-12!) USER MOD Single : A 1 PHE N :NH3+ 178:sc= 0.408 (180deg=0.272) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.0799 (180deg=-0.58) USER MOD Single : A 9 GLN : amide:sc=-0.00786 K(o=-0.0079,f=-0.84) 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 179:sc= -0.798 USER MOD Single : A 18 ASN :FLIP amide:sc=-0.00159 F(o=-1.4,f=-0.0016) USER MOD Single : A 22 MET CE :methyl -167:sc= -0.543 (180deg=-1.61) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.8) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 68:sc= 0.0333 USER MOD Single : A 42 LYS NZ :NH3+ 164:sc= -0.0204 (180deg=-0.33) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.868 K(o=-0.87,f=-3.6!) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ 171:sc= 0.455 (180deg=0.327) USER MOD Single : B 7 LYS NZ :NH3+ -153:sc= -0.061 (180deg=-0.55) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.93) 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 -113:sc= -0.533 USER MOD Single : B 18 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 22 MET CE :methyl -167:sc= -0.552 (180deg=-1.67) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.7) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 72:sc= 0.0533 USER MOD Single : B 42 LYS NZ :NH3+ 163:sc= -0.0268 (180deg=-0.336) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.685 K(o=-0.68,f=-3.7!) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.550 -3.633 23.832 1.00 0.00 N ATOM 2 CA PHE A 1 94.693 -4.220 24.899 1.00 0.00 C ATOM 3 C PHE A 1 94.197 -3.115 25.840 1.00 0.00 C ATOM 4 O PHE A 1 93.014 -2.863 25.953 1.00 0.00 O ATOM 5 CB PHE A 1 95.508 -5.239 25.711 1.00 0.00 C ATOM 6 CG PHE A 1 95.687 -6.524 24.927 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.578 -6.568 23.846 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.990 -7.684 25.303 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.770 -7.766 23.141 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.178 -8.877 24.594 1.00 0.00 C ATOM 11 CZ PHE A 1 96.068 -8.920 23.515 1.00 0.00 C ATOM 0 H1 PHE A 1 95.909 -4.392 23.219 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.990 -2.966 23.265 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.350 -3.131 24.267 1.00 0.00 H new ATOM 0 HA PHE A 1 93.839 -4.713 24.435 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.483 -4.819 25.959 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.003 -5.449 26.654 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.117 -5.679 23.555 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.308 -7.656 26.140 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.459 -7.799 22.310 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.635 -9.766 24.881 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.214 -9.842 22.971 1.00 0.00 H new ATOM 23 N LEU A 2 95.097 -2.480 26.543 1.00 0.00 N ATOM 24 CA LEU A 2 94.695 -1.414 27.514 1.00 0.00 C ATOM 25 C LEU A 2 94.215 -0.142 26.807 1.00 0.00 C ATOM 26 O LEU A 2 93.399 0.588 27.337 1.00 0.00 O ATOM 27 CB LEU A 2 95.897 -1.057 28.392 1.00 0.00 C ATOM 28 CG LEU A 2 96.495 -2.326 29.009 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.726 -1.952 29.834 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.465 -3.009 29.917 1.00 0.00 C ATOM 0 H LEU A 2 96.101 -2.654 26.488 1.00 0.00 H new ATOM 0 HA LEU A 2 93.871 -1.805 28.111 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.652 -0.542 27.797 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.590 -0.370 29.181 1.00 0.00 H new ATOM 0 HG LEU A 2 96.776 -3.013 28.211 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.155 -2.852 30.275 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.465 -1.476 29.190 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.437 -1.262 30.626 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.902 -3.909 30.349 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.175 -2.327 30.716 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.585 -3.277 29.332 1.00 0.00 H new ATOM 42 N ASP A 3 94.729 0.166 25.649 1.00 0.00 N ATOM 43 CA ASP A 3 94.300 1.427 24.967 1.00 0.00 C ATOM 44 C ASP A 3 92.806 1.383 24.639 1.00 0.00 C ATOM 45 O ASP A 3 92.059 2.286 24.969 1.00 0.00 O ATOM 46 CB ASP A 3 95.092 1.607 23.665 1.00 0.00 C ATOM 47 CG ASP A 3 94.835 3.007 23.108 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.928 3.657 23.602 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.553 3.406 22.205 1.00 0.00 O ATOM 0 H ASP A 3 95.420 -0.391 25.147 1.00 0.00 H new ATOM 0 HA ASP A 3 94.492 2.263 25.640 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.157 1.467 23.851 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.794 0.853 22.937 1.00 0.00 H new ATOM 54 N GLY A 4 92.357 0.345 23.993 1.00 0.00 N ATOM 55 CA GLY A 4 90.911 0.261 23.640 1.00 0.00 C ATOM 56 C GLY A 4 90.077 0.067 24.904 1.00 0.00 C ATOM 57 O GLY A 4 89.030 0.662 25.069 1.00 0.00 O ATOM 0 H GLY A 4 92.925 -0.447 23.694 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.600 1.170 23.125 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.743 -0.568 22.953 1.00 0.00 H new ATOM 61 N ILE A 5 90.530 -0.767 25.793 1.00 0.00 N ATOM 62 CA ILE A 5 89.769 -1.009 27.048 1.00 0.00 C ATOM 63 C ILE A 5 89.614 0.294 27.827 1.00 0.00 C ATOM 64 O ILE A 5 88.573 0.564 28.390 1.00 0.00 O ATOM 65 CB ILE A 5 90.521 -2.032 27.895 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.459 -3.383 27.190 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.875 -2.144 29.280 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.445 -4.358 27.838 1.00 0.00 C ATOM 0 H ILE A 5 91.399 -1.294 25.705 1.00 0.00 H new ATOM 0 HA ILE A 5 88.777 -1.390 26.804 1.00 0.00 H new ATOM 0 HB ILE A 5 91.558 -1.719 28.018 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.447 -3.785 27.246 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.696 -3.262 26.133 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.419 -2.876 29.877 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.908 -1.174 29.777 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.838 -2.461 29.173 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.394 -5.320 27.328 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.456 -3.959 27.759 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.188 -4.490 28.889 1.00 0.00 H new ATOM 80 N ASP A 6 90.634 1.106 27.879 1.00 0.00 N ATOM 81 CA ASP A 6 90.505 2.380 28.636 1.00 0.00 C ATOM 82 C ASP A 6 89.309 3.153 28.098 1.00 0.00 C ATOM 83 O ASP A 6 88.477 3.634 28.841 1.00 0.00 O ATOM 84 CB ASP A 6 91.770 3.218 28.448 1.00 0.00 C ATOM 85 CG ASP A 6 92.965 2.513 29.096 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.739 1.638 29.915 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.083 2.855 28.751 1.00 0.00 O ATOM 0 H ASP A 6 91.539 0.945 27.436 1.00 0.00 H new ATOM 0 HA ASP A 6 90.367 2.166 29.696 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.960 3.372 27.386 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.633 4.203 28.893 1.00 0.00 H new ATOM 92 N LYS A 7 89.210 3.259 26.806 1.00 0.00 N ATOM 93 CA LYS A 7 88.055 3.982 26.216 1.00 0.00 C ATOM 94 C LYS A 7 86.777 3.179 26.461 1.00 0.00 C ATOM 95 O LYS A 7 85.756 3.714 26.842 1.00 0.00 O ATOM 96 CB LYS A 7 88.277 4.142 24.714 1.00 0.00 C ATOM 97 CG LYS A 7 87.214 5.085 24.138 1.00 0.00 C ATOM 98 CD LYS A 7 87.374 5.193 22.610 1.00 0.00 C ATOM 99 CE LYS A 7 88.391 6.282 22.264 1.00 0.00 C ATOM 100 NZ LYS A 7 87.804 7.612 22.581 1.00 0.00 N ATOM 0 H LYS A 7 89.877 2.878 26.135 1.00 0.00 H new ATOM 0 HA LYS A 7 87.960 4.965 26.678 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.274 4.540 24.523 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.222 3.171 24.222 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.218 4.715 24.382 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.308 6.072 24.592 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.701 4.236 22.202 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.412 5.423 22.151 1.00 0.00 H new ATOM 0 HE2 LYS A 7 89.310 6.132 22.830 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.655 6.229 21.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 88.221 8.333 21.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.775 7.581 22.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 88.005 7.853 23.573 1.00 0.00 H new ATOM 114 N ALA A 8 86.834 1.893 26.249 1.00 0.00 N ATOM 115 CA ALA A 8 85.630 1.046 26.472 1.00 0.00 C ATOM 116 C ALA A 8 85.262 1.084 27.952 1.00 0.00 C ATOM 117 O ALA A 8 84.103 1.068 28.318 1.00 0.00 O ATOM 118 CB ALA A 8 85.927 -0.398 26.050 1.00 0.00 C ATOM 0 H ALA A 8 87.664 1.392 25.931 1.00 0.00 H new ATOM 0 HA ALA A 8 84.799 1.426 25.877 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.043 -1.014 26.215 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.193 -0.421 24.993 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.756 -0.787 26.641 1.00 0.00 H new ATOM 124 N GLN A 9 86.244 1.125 28.810 1.00 0.00 N ATOM 125 CA GLN A 9 85.953 1.150 30.264 1.00 0.00 C ATOM 126 C GLN A 9 85.093 2.374 30.587 1.00 0.00 C ATOM 127 O GLN A 9 84.157 2.302 31.361 1.00 0.00 O ATOM 128 CB GLN A 9 87.271 1.226 31.038 1.00 0.00 C ATOM 129 CG GLN A 9 87.003 0.991 32.520 1.00 0.00 C ATOM 130 CD GLN A 9 88.315 1.130 33.292 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.136 1.965 32.970 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.552 0.338 34.299 1.00 0.00 N ATOM 0 H GLN A 9 87.234 1.142 28.564 1.00 0.00 H new ATOM 0 HA GLN A 9 85.415 0.246 30.550 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.970 0.480 30.661 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.736 2.201 30.891 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.271 1.710 32.889 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.580 -0.002 32.673 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.863 -0.363 34.570 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.427 0.419 34.817 1.00 0.00 H new ATOM 141 N GLU A 10 85.381 3.494 29.980 1.00 0.00 N ATOM 142 CA GLU A 10 84.553 4.703 30.249 1.00 0.00 C ATOM 143 C GLU A 10 83.115 4.403 29.837 1.00 0.00 C ATOM 144 O GLU A 10 82.181 4.771 30.518 1.00 0.00 O ATOM 145 CB GLU A 10 85.091 5.882 29.433 1.00 0.00 C ATOM 146 CG GLU A 10 84.396 7.180 29.865 1.00 0.00 C ATOM 147 CD GLU A 10 85.008 7.694 31.175 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.717 6.939 31.818 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.758 8.840 31.513 1.00 0.00 O ATOM 0 H GLU A 10 86.145 3.623 29.317 1.00 0.00 H new ATOM 0 HA GLU A 10 84.591 4.960 31.308 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.168 5.972 29.575 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.923 5.706 28.370 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.500 7.934 29.085 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.329 7.004 29.998 1.00 0.00 H new ATOM 156 N GLU A 11 82.928 3.718 28.741 1.00 0.00 N ATOM 157 CA GLU A 11 81.543 3.378 28.312 1.00 0.00 C ATOM 158 C GLU A 11 80.885 2.536 29.395 1.00 0.00 C ATOM 159 O GLU A 11 79.730 2.719 29.720 1.00 0.00 O ATOM 160 CB GLU A 11 81.581 2.596 26.994 1.00 0.00 C ATOM 161 CG GLU A 11 80.156 2.396 26.457 1.00 0.00 C ATOM 162 CD GLU A 11 79.451 1.286 27.244 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.140 0.506 27.883 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.232 1.238 27.196 1.00 0.00 O ATOM 0 H GLU A 11 83.670 3.381 28.128 1.00 0.00 H new ATOM 0 HA GLU A 11 80.971 4.293 28.158 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.182 3.133 26.261 1.00 0.00 H new ATOM 0 HB3 GLU A 11 82.058 1.629 27.150 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.593 3.326 26.540 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.190 2.138 25.399 1.00 0.00 H new ATOM 171 N HIS A 12 81.609 1.614 29.965 1.00 0.00 N ATOM 172 CA HIS A 12 81.007 0.773 31.031 1.00 0.00 C ATOM 173 C HIS A 12 80.587 1.649 32.208 1.00 0.00 C ATOM 174 O HIS A 12 79.518 1.500 32.756 1.00 0.00 O ATOM 175 CB HIS A 12 82.018 -0.262 31.534 1.00 0.00 C ATOM 176 CG HIS A 12 81.313 -1.125 32.531 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.895 -2.432 32.245 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.842 -0.841 33.782 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.192 -2.871 33.311 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.147 -1.933 34.242 1.00 0.00 N ATOM 0 H HIS A 12 82.583 1.409 29.740 1.00 0.00 H new ATOM 0 HA HIS A 12 80.140 0.263 30.612 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.397 -0.862 30.707 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.877 0.230 31.991 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.086 -2.955 31.390 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.991 0.085 34.318 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.734 -3.846 33.391 1.00 0.00 H new ATOM 188 N GLU A 13 81.426 2.557 32.610 1.00 0.00 N ATOM 189 CA GLU A 13 81.074 3.428 33.767 1.00 0.00 C ATOM 190 C GLU A 13 79.806 4.234 33.461 1.00 0.00 C ATOM 191 O GLU A 13 78.924 4.363 34.287 1.00 0.00 O ATOM 192 CB GLU A 13 82.232 4.394 34.034 1.00 0.00 C ATOM 193 CG GLU A 13 82.002 5.129 35.360 1.00 0.00 C ATOM 194 CD GLU A 13 82.209 4.157 36.525 1.00 0.00 C ATOM 195 OE1 GLU A 13 82.874 3.154 36.322 1.00 0.00 O ATOM 196 OE2 GLU A 13 81.693 4.429 37.598 1.00 0.00 O ATOM 0 H GLU A 13 82.339 2.736 32.191 1.00 0.00 H new ATOM 0 HA GLU A 13 80.893 2.804 34.642 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.173 3.846 34.070 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.313 5.113 33.219 1.00 0.00 H new ATOM 0 HG2 GLU A 13 82.691 5.969 35.447 1.00 0.00 H new ATOM 0 HG3 GLU A 13 80.993 5.540 35.390 1.00 0.00 H new ATOM 203 N LYS A 14 79.731 4.802 32.292 1.00 0.00 N ATOM 204 CA LYS A 14 78.552 5.638 31.927 1.00 0.00 C ATOM 205 C LYS A 14 77.234 4.855 31.947 1.00 0.00 C ATOM 206 O LYS A 14 76.189 5.427 32.192 1.00 0.00 O ATOM 207 CB LYS A 14 78.752 6.212 30.526 1.00 0.00 C ATOM 208 CG LYS A 14 79.899 7.229 30.540 1.00 0.00 C ATOM 209 CD LYS A 14 79.965 7.970 29.198 1.00 0.00 C ATOM 210 CE LYS A 14 80.620 7.087 28.136 1.00 0.00 C ATOM 211 NZ LYS A 14 80.927 7.905 26.931 1.00 0.00 N ATOM 0 H LYS A 14 80.442 4.723 31.565 1.00 0.00 H new ATOM 0 HA LYS A 14 78.481 6.427 32.675 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.974 5.409 29.823 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.834 6.690 30.185 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.753 7.942 31.351 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.844 6.720 30.730 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.961 8.249 28.879 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.532 8.894 29.313 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.534 6.643 28.530 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.955 6.265 27.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 81.373 7.305 26.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.047 8.308 26.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 81.577 8.675 27.190 1.00 0.00 H new ATOM 225 N TYR A 15 77.244 3.579 31.630 1.00 0.00 N ATOM 226 CA TYR A 15 75.945 2.820 31.572 1.00 0.00 C ATOM 227 C TYR A 15 76.043 1.422 32.203 1.00 0.00 C ATOM 228 O TYR A 15 75.053 0.720 32.284 1.00 0.00 O ATOM 229 CB TYR A 15 75.576 2.662 30.093 1.00 0.00 C ATOM 230 CG TYR A 15 75.628 4.012 29.412 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.529 4.874 29.494 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.775 4.404 28.692 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.569 6.121 28.866 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.808 5.656 28.063 1.00 0.00 C ATOM 235 CZ TYR A 15 75.705 6.512 28.150 1.00 0.00 C ATOM 236 OH TYR A 15 75.738 7.744 27.530 1.00 0.00 O ATOM 0 H TYR A 15 78.079 3.036 31.412 1.00 0.00 H new ATOM 0 HA TYR A 15 75.196 3.376 32.136 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.265 1.971 29.607 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.578 2.234 30.000 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.649 4.575 30.044 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.625 3.742 28.625 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.720 6.785 28.934 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.685 5.960 27.511 1.00 0.00 H new ATOM 0 HH TYR A 15 76.599 7.859 27.077 1.00 0.00 H new ATOM 246 N HIS A 16 77.205 0.982 32.602 1.00 0.00 N ATOM 247 CA HIS A 16 77.320 -0.397 33.167 1.00 0.00 C ATOM 248 C HIS A 16 76.724 -1.359 32.143 1.00 0.00 C ATOM 249 O HIS A 16 75.923 -2.212 32.467 1.00 0.00 O ATOM 250 CB HIS A 16 76.559 -0.537 34.494 1.00 0.00 C ATOM 251 CG HIS A 16 77.251 0.222 35.605 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.328 -0.285 36.322 1.00 0.00 N ATOM 253 CD2 HIS A 16 77.001 1.447 36.184 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.689 0.582 37.268 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.907 1.667 37.233 1.00 0.00 N ATOM 0 H HIS A 16 78.076 1.512 32.563 1.00 0.00 H new ATOM 0 HA HIS A 16 78.369 -0.616 33.369 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.542 -0.164 34.374 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.482 -1.591 34.763 1.00 0.00 H new ATOM 0 HD2 HIS A 16 76.226 2.134 35.877 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.500 0.430 37.965 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.959 2.484 37.842 1.00 0.00 H new ATOM 263 N SER A 17 77.088 -1.199 30.900 1.00 0.00 N ATOM 264 CA SER A 17 76.525 -2.068 29.834 1.00 0.00 C ATOM 265 C SER A 17 77.041 -3.499 29.978 1.00 0.00 C ATOM 266 O SER A 17 78.058 -3.749 30.595 1.00 0.00 O ATOM 267 CB SER A 17 76.933 -1.514 28.472 1.00 0.00 C ATOM 268 OG SER A 17 78.351 -1.531 28.368 1.00 0.00 O ATOM 0 H SER A 17 77.756 -0.498 30.578 1.00 0.00 H new ATOM 0 HA SER A 17 75.439 -2.080 29.923 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.490 -2.112 27.675 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.559 -0.497 28.353 1.00 0.00 H new ATOM 0 HG SER A 17 78.619 -1.192 27.488 1.00 0.00 H new ATOM 274 N ASN A 18 76.346 -4.438 29.397 1.00 0.00 N ATOM 275 CA ASN A 18 76.786 -5.858 29.480 1.00 0.00 C ATOM 276 C ASN A 18 77.992 -6.055 28.563 1.00 0.00 C ATOM 277 O ASN A 18 78.204 -5.302 27.632 1.00 0.00 O ATOM 278 CB ASN A 18 75.648 -6.777 29.028 1.00 0.00 C ATOM 279 CG ASN A 18 74.435 -6.575 29.933 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.603 -6.071 31.122 1.00 0.00 O flip ATOM 281 ND2 ASN A 18 73.322 -6.880 29.553 1.00 0.00 N flip ATOM 0 H ASN A 18 75.489 -4.281 28.866 1.00 0.00 H new ATOM 0 HA ASN A 18 77.056 -6.101 30.508 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.382 -6.561 27.993 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.971 -7.817 29.064 1.00 0.00 H new ATOM 0 HD21 ASN A 18 73.191 -7.275 28.622 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.518 -6.741 30.165 1.00 0.00 H new ATOM 288 N TRP A 19 78.787 -7.058 28.811 1.00 0.00 N ATOM 289 CA TRP A 19 79.973 -7.284 27.943 1.00 0.00 C ATOM 290 C TRP A 19 79.525 -7.497 26.498 1.00 0.00 C ATOM 291 O TRP A 19 80.227 -7.151 25.569 1.00 0.00 O ATOM 292 CB TRP A 19 80.750 -8.501 28.441 1.00 0.00 C ATOM 293 CG TRP A 19 79.982 -9.759 28.184 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.173 -10.367 29.078 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.947 -10.579 26.979 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.645 -11.509 28.500 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.093 -11.682 27.207 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.567 -10.472 25.724 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.868 -12.649 26.223 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.340 -11.440 24.732 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.491 -12.525 24.982 1.00 0.00 C ATOM 0 H TRP A 19 78.667 -7.726 29.572 1.00 0.00 H new ATOM 0 HA TRP A 19 80.622 -6.409 27.983 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.717 -8.551 27.941 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.948 -8.401 29.508 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.971 -10.019 30.080 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.003 -12.145 28.973 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.223 -9.639 25.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.216 -13.486 26.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.823 -11.347 23.771 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.319 -13.265 24.214 1.00 0.00 H new ATOM 312 N ARG A 20 78.367 -8.060 26.290 1.00 0.00 N ATOM 313 CA ARG A 20 77.898 -8.276 24.890 1.00 0.00 C ATOM 314 C ARG A 20 77.769 -6.922 24.204 1.00 0.00 C ATOM 315 O ARG A 20 78.112 -6.755 23.050 1.00 0.00 O ATOM 316 CB ARG A 20 76.543 -8.982 24.888 1.00 0.00 C ATOM 317 CG ARG A 20 76.693 -10.381 25.481 1.00 0.00 C ATOM 318 CD ARG A 20 75.362 -11.137 25.392 1.00 0.00 C ATOM 319 NE ARG A 20 74.310 -10.397 26.144 1.00 0.00 N ATOM 320 CZ ARG A 20 73.053 -10.694 25.963 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.723 -11.649 25.142 1.00 0.00 N ATOM 322 NH2 ARG A 20 72.126 -10.038 26.605 1.00 0.00 N ATOM 0 H ARG A 20 77.730 -8.378 27.020 1.00 0.00 H new ATOM 0 HA ARG A 20 78.616 -8.900 24.358 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.821 -8.406 25.467 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.157 -9.047 23.871 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.468 -10.930 24.946 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.012 -10.311 26.521 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.066 -11.249 24.349 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.476 -12.141 25.800 1.00 0.00 H new ATOM 0 HE ARG A 20 74.572 -9.660 26.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.447 -12.164 24.641 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.740 -11.882 25.000 1.00 0.00 H new ATOM 0 HH21 ARG A 20 72.384 -9.291 27.250 1.00 0.00 H new ATOM 0 HH22 ARG A 20 71.144 -10.272 26.462 1.00 0.00 H new ATOM 336 N ALA A 21 77.269 -5.951 24.908 1.00 0.00 N ATOM 337 CA ALA A 21 77.127 -4.602 24.305 1.00 0.00 C ATOM 338 C ALA A 21 78.516 -4.004 24.089 1.00 0.00 C ATOM 339 O ALA A 21 78.839 -3.528 23.015 1.00 0.00 O ATOM 340 CB ALA A 21 76.310 -3.708 25.240 1.00 0.00 C ATOM 0 H ALA A 21 76.953 -6.033 25.874 1.00 0.00 H new ATOM 0 HA ALA A 21 76.612 -4.675 23.347 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.206 -2.717 24.797 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.322 -4.144 25.390 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.819 -3.624 26.200 1.00 0.00 H new ATOM 346 N MET A 22 79.348 -4.027 25.095 1.00 0.00 N ATOM 347 CA MET A 22 80.717 -3.462 24.930 1.00 0.00 C ATOM 348 C MET A 22 81.465 -4.237 23.847 1.00 0.00 C ATOM 349 O MET A 22 82.153 -3.665 23.026 1.00 0.00 O ATOM 350 CB MET A 22 81.483 -3.571 26.246 1.00 0.00 C ATOM 351 CG MET A 22 80.816 -2.695 27.304 1.00 0.00 C ATOM 352 SD MET A 22 81.905 -2.561 28.744 1.00 0.00 S ATOM 353 CE MET A 22 81.743 -4.262 29.333 1.00 0.00 C ATOM 0 H MET A 22 79.141 -4.410 26.017 1.00 0.00 H new ATOM 0 HA MET A 22 80.637 -2.414 24.641 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.505 -4.608 26.580 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.518 -3.260 26.102 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.610 -1.705 26.896 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.858 -3.125 27.597 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.150 -4.338 30.341 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.690 -4.544 29.344 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.291 -4.931 28.669 1.00 0.00 H new ATOM 363 N ALA A 23 81.337 -5.536 23.835 1.00 0.00 N ATOM 364 CA ALA A 23 82.046 -6.335 22.795 1.00 0.00 C ATOM 365 C ALA A 23 81.569 -5.889 21.413 1.00 0.00 C ATOM 366 O ALA A 23 82.349 -5.710 20.501 1.00 0.00 O ATOM 367 CB ALA A 23 81.743 -7.824 22.988 1.00 0.00 C ATOM 0 H ALA A 23 80.777 -6.075 24.495 1.00 0.00 H new ATOM 0 HA ALA A 23 83.121 -6.177 22.883 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.264 -8.403 22.225 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.080 -8.139 23.976 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.669 -7.991 22.901 1.00 0.00 H new ATOM 373 N SER A 24 80.288 -5.703 21.263 1.00 0.00 N ATOM 374 CA SER A 24 79.740 -5.256 19.951 1.00 0.00 C ATOM 375 C SER A 24 80.110 -3.790 19.702 1.00 0.00 C ATOM 376 O SER A 24 80.337 -3.385 18.583 1.00 0.00 O ATOM 377 CB SER A 24 78.221 -5.404 19.957 1.00 0.00 C ATOM 378 OG SER A 24 77.730 -5.288 18.630 1.00 0.00 O ATOM 0 H SER A 24 79.593 -5.842 21.996 1.00 0.00 H new ATOM 0 HA SER A 24 80.164 -5.871 19.158 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.940 -6.370 20.377 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.773 -4.639 20.590 1.00 0.00 H new ATOM 0 HG SER A 24 76.755 -5.384 18.632 1.00 0.00 H new ATOM 384 N ASP A 25 80.154 -2.993 20.736 1.00 0.00 N ATOM 385 CA ASP A 25 80.496 -1.552 20.550 1.00 0.00 C ATOM 386 C ASP A 25 81.905 -1.429 19.973 1.00 0.00 C ATOM 387 O ASP A 25 82.156 -0.636 19.092 1.00 0.00 O ATOM 388 CB ASP A 25 80.455 -0.846 21.906 1.00 0.00 C ATOM 389 CG ASP A 25 79.015 -0.798 22.416 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.116 -0.960 21.610 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.836 -0.604 23.608 1.00 0.00 O ATOM 0 H ASP A 25 79.969 -3.276 21.698 1.00 0.00 H new ATOM 0 HA ASP A 25 79.778 -1.096 19.868 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.087 -1.373 22.621 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.852 0.165 21.813 1.00 0.00 H new ATOM 396 N PHE A 26 82.827 -2.212 20.476 1.00 0.00 N ATOM 397 CA PHE A 26 84.239 -2.156 19.983 1.00 0.00 C ATOM 398 C PHE A 26 84.562 -3.406 19.158 1.00 0.00 C ATOM 399 O PHE A 26 85.659 -3.560 18.661 1.00 0.00 O ATOM 400 CB PHE A 26 85.181 -2.076 21.189 1.00 0.00 C ATOM 401 CG PHE A 26 84.900 -0.801 21.943 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.577 0.374 21.602 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.958 -0.790 22.977 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.315 1.562 22.294 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.695 0.398 23.670 1.00 0.00 C ATOM 406 CZ PHE A 26 84.373 1.575 23.326 1.00 0.00 C ATOM 0 H PHE A 26 82.660 -2.895 21.215 1.00 0.00 H new ATOM 0 HA PHE A 26 84.368 -1.278 19.350 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.035 -2.939 21.839 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.219 -2.098 20.859 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.304 0.365 20.803 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.434 -1.697 23.241 1.00 0.00 H new ATOM 0 HE1 PHE A 26 85.841 2.468 22.031 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.969 0.407 24.470 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.168 2.492 23.858 1.00 0.00 H new ATOM 416 N ASN A 27 83.618 -4.291 19.006 1.00 0.00 N ATOM 417 CA ASN A 27 83.876 -5.523 18.207 1.00 0.00 C ATOM 418 C ASN A 27 85.126 -6.232 18.745 1.00 0.00 C ATOM 419 O ASN A 27 86.006 -6.601 17.994 1.00 0.00 O ATOM 420 CB ASN A 27 84.092 -5.147 16.734 1.00 0.00 C ATOM 421 CG ASN A 27 82.845 -4.444 16.196 1.00 0.00 C ATOM 422 OD1 ASN A 27 81.754 -4.655 16.687 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.965 -3.611 15.199 1.00 0.00 N ATOM 0 H ASN A 27 82.680 -4.216 19.399 1.00 0.00 H new ATOM 0 HA ASN A 27 83.018 -6.191 18.287 1.00 0.00 H new ATOM 0 HB2 ASN A 27 84.960 -4.494 16.638 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.300 -6.041 16.147 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.142 -3.135 14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 27 83.882 -3.436 14.789 1.00 0.00 H new ATOM 430 N LEU A 28 85.214 -6.423 20.040 1.00 0.00 N ATOM 431 CA LEU A 28 86.409 -7.106 20.634 1.00 0.00 C ATOM 432 C LEU A 28 85.977 -8.463 21.201 1.00 0.00 C ATOM 433 O LEU A 28 84.861 -8.602 21.659 1.00 0.00 O ATOM 434 CB LEU A 28 86.949 -6.249 21.784 1.00 0.00 C ATOM 435 CG LEU A 28 87.570 -4.954 21.238 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.841 -3.994 22.401 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.891 -5.261 20.504 1.00 0.00 C ATOM 0 H LEU A 28 84.506 -6.134 20.715 1.00 0.00 H new ATOM 0 HA LEU A 28 87.175 -7.243 19.871 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.143 -6.010 22.478 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.696 -6.810 22.345 1.00 0.00 H new ATOM 0 HG LEU A 28 86.876 -4.496 20.534 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.282 -3.074 22.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.904 -3.764 22.909 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.530 -4.461 23.105 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.319 -4.334 20.123 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.592 -5.727 21.196 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.697 -5.939 19.673 1.00 0.00 H new ATOM 449 N PRO A 29 86.847 -9.456 21.205 1.00 0.00 N ATOM 450 CA PRO A 29 86.509 -10.793 21.768 1.00 0.00 C ATOM 451 C PRO A 29 85.781 -10.662 23.120 1.00 0.00 C ATOM 452 O PRO A 29 86.082 -9.774 23.890 1.00 0.00 O ATOM 453 CB PRO A 29 87.884 -11.447 21.977 1.00 0.00 C ATOM 454 CG PRO A 29 88.769 -10.840 20.938 1.00 0.00 C ATOM 455 CD PRO A 29 88.227 -9.428 20.669 1.00 0.00 C ATOM 0 HA PRO A 29 85.845 -11.363 21.118 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.264 -11.253 22.980 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.827 -12.529 21.862 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.802 -10.799 21.285 1.00 0.00 H new ATOM 0 HG3 PRO A 29 88.762 -11.438 20.026 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.831 -8.669 21.166 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.235 -9.195 19.604 1.00 0.00 H new ATOM 463 N PRO A 30 84.851 -11.531 23.429 1.00 0.00 N ATOM 464 CA PRO A 30 84.133 -11.466 24.730 1.00 0.00 C ATOM 465 C PRO A 30 85.109 -11.270 25.894 1.00 0.00 C ATOM 466 O PRO A 30 84.843 -10.561 26.844 1.00 0.00 O ATOM 467 CB PRO A 30 83.451 -12.840 24.843 1.00 0.00 C ATOM 468 CG PRO A 30 83.306 -13.346 23.441 1.00 0.00 C ATOM 469 CD PRO A 30 84.382 -12.652 22.593 1.00 0.00 C ATOM 0 HA PRO A 30 83.434 -10.630 24.773 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.049 -13.524 25.445 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.479 -12.754 25.329 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.430 -14.428 23.408 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.311 -13.127 23.054 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.197 -13.334 22.352 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.973 -12.297 21.647 1.00 0.00 H new ATOM 477 N VAL A 31 86.230 -11.924 25.822 1.00 0.00 N ATOM 478 CA VAL A 31 87.229 -11.826 26.920 1.00 0.00 C ATOM 479 C VAL A 31 87.533 -10.371 27.238 1.00 0.00 C ATOM 480 O VAL A 31 87.549 -9.975 28.387 1.00 0.00 O ATOM 481 CB VAL A 31 88.517 -12.528 26.468 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.609 -12.459 27.555 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.194 -13.993 26.160 1.00 0.00 C ATOM 0 H VAL A 31 86.500 -12.527 25.045 1.00 0.00 H new ATOM 0 HA VAL A 31 86.829 -12.299 27.817 1.00 0.00 H new ATOM 0 HB VAL A 31 88.897 -12.023 25.580 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.507 -12.966 27.201 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.842 -11.416 27.771 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.251 -12.946 28.462 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.100 -14.505 25.837 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.804 -14.476 27.056 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.448 -14.042 25.367 1.00 0.00 H new ATOM 493 N VAL A 32 87.800 -9.568 26.256 1.00 0.00 N ATOM 494 CA VAL A 32 88.125 -8.157 26.571 1.00 0.00 C ATOM 495 C VAL A 32 86.897 -7.482 27.178 1.00 0.00 C ATOM 496 O VAL A 32 86.977 -6.832 28.201 1.00 0.00 O ATOM 497 CB VAL A 32 88.563 -7.432 25.307 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.924 -5.988 25.649 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.789 -8.137 24.726 1.00 0.00 C ATOM 0 H VAL A 32 87.808 -9.819 25.267 1.00 0.00 H new ATOM 0 HA VAL A 32 88.944 -8.119 27.290 1.00 0.00 H new ATOM 0 HB VAL A 32 87.752 -7.441 24.578 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.238 -5.467 24.744 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.054 -5.486 26.073 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.738 -5.978 26.374 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.109 -7.623 23.820 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.598 -8.122 25.457 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.536 -9.170 24.487 1.00 0.00 H new ATOM 509 N ALA A 33 85.761 -7.641 26.563 1.00 0.00 N ATOM 510 CA ALA A 33 84.528 -7.018 27.118 1.00 0.00 C ATOM 511 C ALA A 33 84.186 -7.672 28.467 1.00 0.00 C ATOM 512 O ALA A 33 83.887 -6.999 29.437 1.00 0.00 O ATOM 513 CB ALA A 33 83.371 -7.222 26.136 1.00 0.00 C ATOM 0 H ALA A 33 85.632 -8.173 25.703 1.00 0.00 H new ATOM 0 HA ALA A 33 84.692 -5.951 27.267 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.467 -6.767 26.540 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.617 -6.756 25.182 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.205 -8.289 25.986 1.00 0.00 H new ATOM 519 N LYS A 34 84.223 -8.980 28.538 1.00 0.00 N ATOM 520 CA LYS A 34 83.904 -9.670 29.818 1.00 0.00 C ATOM 521 C LYS A 34 84.870 -9.241 30.912 1.00 0.00 C ATOM 522 O LYS A 34 84.497 -9.118 32.059 1.00 0.00 O ATOM 523 CB LYS A 34 83.969 -11.189 29.638 1.00 0.00 C ATOM 524 CG LYS A 34 82.771 -11.669 28.807 1.00 0.00 C ATOM 525 CD LYS A 34 82.718 -13.202 28.811 1.00 0.00 C ATOM 526 CE LYS A 34 81.419 -13.665 28.150 1.00 0.00 C ATOM 527 NZ LYS A 34 81.492 -15.124 27.867 1.00 0.00 N ATOM 0 H LYS A 34 84.461 -9.597 27.762 1.00 0.00 H new ATOM 0 HA LYS A 34 82.892 -9.390 30.111 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.900 -11.466 29.143 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.967 -11.680 30.611 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.846 -11.263 29.217 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.855 -11.301 27.784 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.576 -13.608 28.276 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.773 -13.576 29.833 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.572 -13.453 28.803 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.254 -13.113 27.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.607 -15.435 27.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.290 -15.314 27.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 81.630 -15.644 28.757 1.00 0.00 H new ATOM 541 N GLU A 35 86.114 -9.027 30.577 1.00 0.00 N ATOM 542 CA GLU A 35 87.090 -8.621 31.623 1.00 0.00 C ATOM 543 C GLU A 35 86.689 -7.272 32.219 1.00 0.00 C ATOM 544 O GLU A 35 86.837 -7.040 33.403 1.00 0.00 O ATOM 545 CB GLU A 35 88.492 -8.518 31.018 1.00 0.00 C ATOM 546 CG GLU A 35 89.537 -8.507 32.143 1.00 0.00 C ATOM 547 CD GLU A 35 89.564 -7.137 32.825 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.081 -6.185 32.233 1.00 0.00 O ATOM 549 OE2 GLU A 35 90.077 -7.062 33.930 1.00 0.00 O ATOM 0 H GLU A 35 86.492 -9.115 29.634 1.00 0.00 H new ATOM 0 HA GLU A 35 87.093 -9.374 32.411 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.673 -9.358 30.348 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.576 -7.610 30.421 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.303 -9.281 32.874 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.522 -8.739 31.737 1.00 0.00 H new ATOM 556 N ILE A 36 86.189 -6.371 31.422 1.00 0.00 N ATOM 557 CA ILE A 36 85.797 -5.049 31.980 1.00 0.00 C ATOM 558 C ILE A 36 84.720 -5.255 33.051 1.00 0.00 C ATOM 559 O ILE A 36 84.739 -4.631 34.095 1.00 0.00 O ATOM 560 CB ILE A 36 85.264 -4.158 30.861 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.389 -3.891 29.852 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.784 -2.836 31.472 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.848 -3.086 28.665 1.00 0.00 C ATOM 0 H ILE A 36 86.036 -6.490 30.421 1.00 0.00 H new ATOM 0 HA ILE A 36 86.664 -4.566 32.430 1.00 0.00 H new ATOM 0 HB ILE A 36 84.434 -4.646 30.350 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.199 -3.344 30.334 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.806 -4.835 29.502 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.400 -2.189 30.683 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.993 -3.035 32.195 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.617 -2.343 31.973 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.653 -2.901 27.954 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.053 -3.649 28.175 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.452 -2.135 29.021 1.00 0.00 H new ATOM 575 N VAL A 37 83.802 -6.148 32.811 1.00 0.00 N ATOM 576 CA VAL A 37 82.746 -6.421 33.826 1.00 0.00 C ATOM 577 C VAL A 37 83.420 -6.984 35.075 1.00 0.00 C ATOM 578 O VAL A 37 83.071 -6.652 36.188 1.00 0.00 O ATOM 579 CB VAL A 37 81.744 -7.434 33.269 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.667 -7.733 34.316 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.083 -6.852 32.020 1.00 0.00 C ATOM 0 H VAL A 37 83.737 -6.701 31.956 1.00 0.00 H new ATOM 0 HA VAL A 37 82.210 -5.504 34.072 1.00 0.00 H new ATOM 0 HB VAL A 37 82.267 -8.357 33.018 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.957 -8.455 33.912 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.134 -8.145 35.211 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.142 -6.812 34.571 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.368 -7.570 31.619 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.564 -5.929 32.279 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.845 -6.641 31.270 1.00 0.00 H new ATOM 591 N ALA A 38 84.402 -7.822 34.894 1.00 0.00 N ATOM 592 CA ALA A 38 85.121 -8.399 36.065 1.00 0.00 C ATOM 593 C ALA A 38 85.743 -7.258 36.885 1.00 0.00 C ATOM 594 O ALA A 38 85.911 -7.357 38.084 1.00 0.00 O ATOM 595 CB ALA A 38 86.222 -9.336 35.569 1.00 0.00 C ATOM 0 H ALA A 38 84.739 -8.133 33.983 1.00 0.00 H new ATOM 0 HA ALA A 38 84.425 -8.959 36.690 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.751 -9.760 36.423 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.778 -10.139 34.981 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.923 -8.777 34.949 1.00 0.00 H new ATOM 601 N SER A 39 86.090 -6.177 36.242 1.00 0.00 N ATOM 602 CA SER A 39 86.701 -5.030 36.978 1.00 0.00 C ATOM 603 C SER A 39 85.603 -4.244 37.705 1.00 0.00 C ATOM 604 O SER A 39 85.833 -3.640 38.729 1.00 0.00 O ATOM 605 CB SER A 39 87.406 -4.101 35.988 1.00 0.00 C ATOM 606 OG SER A 39 88.386 -4.833 35.265 1.00 0.00 O ATOM 0 H SER A 39 85.977 -6.037 35.238 1.00 0.00 H new ATOM 0 HA SER A 39 87.422 -5.412 37.701 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.680 -3.667 35.300 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.875 -3.273 36.520 1.00 0.00 H new ATOM 0 HG SER A 39 87.943 -5.480 34.677 1.00 0.00 H new ATOM 612 N CYS A 40 84.410 -4.243 37.175 1.00 0.00 N ATOM 613 CA CYS A 40 83.303 -3.491 37.833 1.00 0.00 C ATOM 614 C CYS A 40 82.732 -4.319 38.985 1.00 0.00 C ATOM 615 O CYS A 40 82.030 -5.292 38.780 1.00 0.00 O ATOM 616 CB CYS A 40 82.203 -3.218 36.809 1.00 0.00 C ATOM 617 SG CYS A 40 80.792 -2.438 37.625 1.00 0.00 S ATOM 0 H CYS A 40 84.154 -4.730 36.316 1.00 0.00 H new ATOM 0 HA CYS A 40 83.685 -2.548 38.223 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.582 -2.571 36.018 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.893 -4.150 36.337 1.00 0.00 H new ATOM 622 N ASP A 41 83.036 -3.947 40.195 1.00 0.00 N ATOM 623 CA ASP A 41 82.517 -4.710 41.366 1.00 0.00 C ATOM 624 C ASP A 41 80.986 -4.666 41.395 1.00 0.00 C ATOM 625 O ASP A 41 80.344 -5.575 41.878 1.00 0.00 O ATOM 626 CB ASP A 41 83.057 -4.102 42.659 1.00 0.00 C ATOM 627 CG ASP A 41 84.570 -4.294 42.726 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.069 -5.166 42.032 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.206 -3.566 43.472 1.00 0.00 O ATOM 0 H ASP A 41 83.623 -3.145 40.426 1.00 0.00 H new ATOM 0 HA ASP A 41 82.846 -5.746 41.278 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.813 -3.040 42.702 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.583 -4.573 43.520 1.00 0.00 H new ATOM 634 N LYS A 42 80.396 -3.609 40.906 1.00 0.00 N ATOM 635 CA LYS A 42 78.909 -3.512 40.948 1.00 0.00 C ATOM 636 C LYS A 42 78.266 -4.517 39.979 1.00 0.00 C ATOM 637 O LYS A 42 77.265 -5.128 40.295 1.00 0.00 O ATOM 638 CB LYS A 42 78.482 -2.090 40.564 1.00 0.00 C ATOM 639 CG LYS A 42 79.080 -1.089 41.559 1.00 0.00 C ATOM 640 CD LYS A 42 78.581 0.321 41.227 1.00 0.00 C ATOM 641 CE LYS A 42 79.178 1.332 42.211 1.00 0.00 C ATOM 642 NZ LYS A 42 80.652 1.429 41.999 1.00 0.00 N ATOM 0 H LYS A 42 80.875 -2.814 40.482 1.00 0.00 H new ATOM 0 HA LYS A 42 78.574 -3.744 41.959 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.818 -1.859 39.553 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.395 -2.013 40.564 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.795 -1.357 42.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.169 -1.121 41.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.861 0.584 40.207 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.493 0.352 41.276 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.715 2.309 42.069 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.967 1.025 43.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 81.013 2.288 42.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 81.117 0.594 42.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.854 1.473 40.980 1.00 0.00 H new ATOM 656 N CYS A 43 78.821 -4.706 38.812 1.00 0.00 N ATOM 657 CA CYS A 43 78.215 -5.680 37.852 1.00 0.00 C ATOM 658 C CYS A 43 78.728 -7.100 38.135 1.00 0.00 C ATOM 659 O CYS A 43 78.013 -8.071 37.970 1.00 0.00 O ATOM 660 CB CYS A 43 78.576 -5.279 36.418 1.00 0.00 C ATOM 661 SG CYS A 43 77.703 -3.752 35.979 1.00 0.00 S ATOM 0 H CYS A 43 79.662 -4.233 38.481 1.00 0.00 H new ATOM 0 HA CYS A 43 77.132 -5.667 37.974 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.653 -5.133 36.330 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.305 -6.077 35.727 1.00 0.00 H new ATOM 666 N GLN A 44 79.961 -7.233 38.538 1.00 0.00 N ATOM 667 CA GLN A 44 80.520 -8.597 38.800 1.00 0.00 C ATOM 668 C GLN A 44 79.886 -9.218 40.046 1.00 0.00 C ATOM 669 O GLN A 44 79.468 -10.360 40.041 1.00 0.00 O ATOM 670 CB GLN A 44 82.026 -8.485 39.030 1.00 0.00 C ATOM 671 CG GLN A 44 82.655 -9.880 39.044 1.00 0.00 C ATOM 672 CD GLN A 44 84.102 -9.765 39.527 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.749 -10.759 39.783 1.00 0.00 O flip ATOM 674 NE2 GLN A 44 84.634 -8.581 39.675 1.00 0.00 N flip ATOM 0 H GLN A 44 80.608 -6.461 38.698 1.00 0.00 H new ATOM 0 HA GLN A 44 80.304 -9.228 37.938 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.479 -7.880 38.244 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.222 -7.979 39.975 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.090 -10.542 39.700 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.624 -10.318 38.046 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.089 -7.746 39.459 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.595 -8.491 40.006 1.00 0.00 H new ATOM 683 N LEU A 45 79.829 -8.484 41.120 1.00 0.00 N ATOM 684 CA LEU A 45 79.244 -9.037 42.375 1.00 0.00 C ATOM 685 C LEU A 45 77.726 -8.955 42.311 1.00 0.00 C ATOM 686 O LEU A 45 77.038 -9.051 43.307 1.00 0.00 O ATOM 687 CB LEU A 45 79.759 -8.244 43.578 1.00 0.00 C ATOM 688 CG LEU A 45 81.282 -8.418 43.714 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.784 -7.556 44.877 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.640 -9.900 43.970 1.00 0.00 C ATOM 0 H LEU A 45 80.163 -7.522 41.185 1.00 0.00 H new ATOM 0 HA LEU A 45 79.541 -10.080 42.483 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.515 -7.188 43.459 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.264 -8.585 44.487 1.00 0.00 H new ATOM 0 HG LEU A 45 81.760 -8.104 42.786 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.863 -7.675 44.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.551 -6.509 44.681 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.296 -7.870 45.800 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.721 -10.002 44.063 1.00 0.00 H new ATOM 0 HD22 LEU A 45 81.163 -10.236 44.891 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.289 -10.508 43.137 1.00 0.00 H new ATOM 702 N LYS A 46 77.199 -8.791 41.138 1.00 0.00 N ATOM 703 CA LYS A 46 75.719 -8.716 40.989 1.00 0.00 C ATOM 704 C LYS A 46 75.170 -10.140 40.910 1.00 0.00 C ATOM 705 O LYS A 46 75.636 -10.952 40.134 1.00 0.00 O ATOM 706 CB LYS A 46 75.363 -7.963 39.703 1.00 0.00 C ATOM 707 CG LYS A 46 73.857 -7.672 39.671 1.00 0.00 C ATOM 708 CD LYS A 46 73.502 -6.952 38.366 1.00 0.00 C ATOM 709 CE LYS A 46 72.056 -6.459 38.430 1.00 0.00 C ATOM 710 NZ LYS A 46 71.618 -6.043 37.064 1.00 0.00 N ATOM 0 H LYS A 46 77.727 -8.705 40.270 1.00 0.00 H new ATOM 0 HA LYS A 46 75.287 -8.189 41.839 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.924 -7.030 39.650 1.00 0.00 H new ATOM 0 HB3 LYS A 46 75.647 -8.556 38.833 1.00 0.00 H new ATOM 0 HG2 LYS A 46 73.295 -8.602 39.750 1.00 0.00 H new ATOM 0 HG3 LYS A 46 73.577 -7.057 40.526 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.177 -6.111 38.207 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.630 -7.627 37.520 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.407 -7.248 38.809 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.975 -5.621 39.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.635 -5.707 37.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 72.233 -5.278 36.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.681 -6.855 36.417 1.00 0.00 H new ATOM 724 N GLY A 47 74.190 -10.451 41.712 1.00 0.00 N ATOM 725 CA GLY A 47 73.614 -11.826 41.697 1.00 0.00 C ATOM 726 C GLY A 47 73.114 -12.167 43.098 1.00 0.00 C ATOM 727 O GLY A 47 72.960 -11.305 43.939 1.00 0.00 O ATOM 0 H GLY A 47 73.761 -9.810 42.380 1.00 0.00 H new ATOM 0 HA2 GLY A 47 72.795 -11.884 40.980 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.367 -12.547 41.380 1.00 0.00 H new ATOM 731 N GLU A 48 72.862 -13.416 43.360 1.00 0.00 N ATOM 732 CA GLU A 48 72.367 -13.806 44.715 1.00 0.00 C ATOM 733 C GLU A 48 73.556 -14.081 45.646 1.00 0.00 C ATOM 734 O GLU A 48 74.389 -14.921 45.377 1.00 0.00 O ATOM 735 CB GLU A 48 71.512 -15.067 44.586 1.00 0.00 C ATOM 736 CG GLU A 48 70.872 -15.397 45.936 1.00 0.00 C ATOM 737 CD GLU A 48 70.091 -16.706 45.816 1.00 0.00 C ATOM 738 OE1 GLU A 48 69.193 -16.765 44.991 1.00 0.00 O ATOM 739 OE2 GLU A 48 70.406 -17.633 46.547 1.00 0.00 O ATOM 0 H GLU A 48 72.975 -14.185 42.700 1.00 0.00 H new ATOM 0 HA GLU A 48 71.771 -12.996 45.134 1.00 0.00 H new ATOM 0 HB2 GLU A 48 70.738 -14.918 43.833 1.00 0.00 H new ATOM 0 HB3 GLU A 48 72.127 -15.902 44.250 1.00 0.00 H new ATOM 0 HG2 GLU A 48 71.640 -15.487 46.704 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.207 -14.590 46.244 1.00 0.00 H new ATOM 746 N ALA A 49 73.629 -13.382 46.747 1.00 0.00 N ATOM 747 CA ALA A 49 74.750 -13.595 47.716 1.00 0.00 C ATOM 748 C ALA A 49 74.272 -14.515 48.837 1.00 0.00 C ATOM 749 O ALA A 49 73.097 -14.559 49.151 1.00 0.00 O ATOM 750 CB ALA A 49 75.163 -12.251 48.314 1.00 0.00 C ATOM 0 H ALA A 49 72.956 -12.666 47.021 1.00 0.00 H new ATOM 0 HA ALA A 49 75.600 -14.045 47.203 1.00 0.00 H new ATOM 0 HB1 ALA A 49 75.979 -12.402 49.020 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.492 -11.584 47.517 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.313 -11.807 48.832 1.00 0.00 H new ATOM 756 N MET A 50 75.158 -15.251 49.450 1.00 0.00 N ATOM 757 CA MET A 50 74.716 -16.154 50.549 1.00 0.00 C ATOM 758 C MET A 50 73.876 -15.348 51.540 1.00 0.00 C ATOM 759 O MET A 50 74.299 -14.334 52.062 1.00 0.00 O ATOM 760 CB MET A 50 75.940 -16.731 51.262 1.00 0.00 C ATOM 761 CG MET A 50 75.502 -17.728 52.347 1.00 0.00 C ATOM 762 SD MET A 50 75.117 -16.829 53.870 1.00 0.00 S ATOM 763 CE MET A 50 75.075 -18.264 54.972 1.00 0.00 C ATOM 0 H MET A 50 76.156 -15.267 49.241 1.00 0.00 H new ATOM 0 HA MET A 50 74.123 -16.973 50.141 1.00 0.00 H new ATOM 0 HB2 MET A 50 76.589 -17.229 50.541 1.00 0.00 H new ATOM 0 HB3 MET A 50 76.521 -15.926 51.711 1.00 0.00 H new ATOM 0 HG2 MET A 50 74.629 -18.287 52.011 1.00 0.00 H new ATOM 0 HG3 MET A 50 76.294 -18.454 52.531 1.00 0.00 H new ATOM 0 HE1 MET A 50 74.849 -17.937 55.987 1.00 0.00 H new ATOM 0 HE2 MET A 50 74.306 -18.959 54.635 1.00 0.00 H new ATOM 0 HE3 MET A 50 76.045 -18.762 54.958 1.00 0.00 H new ATOM 773 N HIS A 51 72.680 -15.788 51.790 1.00 0.00 N ATOM 774 CA HIS A 51 71.788 -15.055 52.727 1.00 0.00 C ATOM 775 C HIS A 51 70.830 -16.054 53.373 1.00 0.00 C ATOM 776 O HIS A 51 70.887 -17.236 53.100 1.00 0.00 O ATOM 777 CB HIS A 51 71.000 -14.000 51.941 1.00 0.00 C ATOM 778 CG HIS A 51 70.037 -14.683 51.005 1.00 0.00 C ATOM 779 ND1 HIS A 51 70.349 -15.874 50.364 1.00 0.00 N ATOM 780 CD2 HIS A 51 68.767 -14.362 50.598 1.00 0.00 C ATOM 781 CE1 HIS A 51 69.288 -16.224 49.614 1.00 0.00 C ATOM 782 NE2 HIS A 51 68.298 -15.336 49.723 1.00 0.00 N ATOM 0 H HIS A 51 72.277 -16.632 51.382 1.00 0.00 H new ATOM 0 HA HIS A 51 72.372 -14.560 53.503 1.00 0.00 H new ATOM 0 HB2 HIS A 51 70.457 -13.351 52.628 1.00 0.00 H new ATOM 0 HB3 HIS A 51 71.684 -13.366 51.377 1.00 0.00 H new ATOM 0 HD2 HIS A 51 68.216 -13.487 50.909 1.00 0.00 H new ATOM 0 HE1 HIS A 51 69.243 -17.112 49.001 1.00 0.00 H new ATOM 0 HE2 HIS A 51 67.389 -15.365 49.262 1.00 0.00 H new ATOM 790 N GLY A 52 69.952 -15.589 54.230 1.00 0.00 N ATOM 791 CA GLY A 52 68.976 -16.507 54.905 1.00 0.00 C ATOM 792 C GLY A 52 69.176 -16.450 56.415 1.00 0.00 C ATOM 793 O GLY A 52 70.226 -16.778 56.930 1.00 0.00 O ATOM 0 H GLY A 52 69.868 -14.607 54.493 1.00 0.00 H new ATOM 0 HA2 GLY A 52 67.956 -16.218 54.653 1.00 0.00 H new ATOM 0 HA3 GLY A 52 69.116 -17.528 54.548 1.00 0.00 H new ATOM 797 N GLN A 53 68.164 -16.045 57.132 1.00 0.00 N ATOM 798 CA GLN A 53 68.281 -15.975 58.616 1.00 0.00 C ATOM 799 C GLN A 53 67.771 -17.289 59.210 1.00 0.00 C ATOM 800 O GLN A 53 66.652 -17.691 58.967 1.00 0.00 O ATOM 801 CB GLN A 53 67.427 -14.817 59.136 1.00 0.00 C ATOM 802 CG GLN A 53 67.795 -13.536 58.386 1.00 0.00 C ATOM 803 CD GLN A 53 66.957 -12.373 58.917 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.359 -12.471 59.970 1.00 0.00 O ATOM 805 NE2 GLN A 53 66.879 -11.272 58.221 1.00 0.00 N ATOM 0 H GLN A 53 67.261 -15.759 56.754 1.00 0.00 H new ATOM 0 HA GLN A 53 69.320 -15.815 58.903 1.00 0.00 H new ATOM 0 HB2 GLN A 53 66.369 -15.041 58.998 1.00 0.00 H new ATOM 0 HB3 GLN A 53 67.588 -14.684 60.206 1.00 0.00 H new ATOM 0 HG2 GLN A 53 68.856 -13.321 58.512 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.621 -13.665 57.318 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.381 -11.191 57.337 1.00 0.00 H new ATOM 0 HE22 GLN A 53 66.316 -10.493 58.561 1.00 0.00 H new ATOM 814 N VAL A 54 68.576 -17.966 59.988 1.00 0.00 N ATOM 815 CA VAL A 54 68.118 -19.254 60.585 1.00 0.00 C ATOM 816 C VAL A 54 67.498 -20.115 59.482 1.00 0.00 C ATOM 817 O VAL A 54 67.966 -20.125 58.360 1.00 0.00 O ATOM 818 CB VAL A 54 67.089 -18.970 61.699 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.132 -20.084 62.749 1.00 0.00 C ATOM 820 CG2 VAL A 54 67.432 -17.638 62.376 1.00 0.00 C ATOM 0 H VAL A 54 69.525 -17.684 60.234 1.00 0.00 H new ATOM 0 HA VAL A 54 68.961 -19.788 61.024 1.00 0.00 H new ATOM 0 HB VAL A 54 66.093 -18.924 61.260 1.00 0.00 H new ATOM 0 HG11 VAL A 54 66.402 -19.875 63.531 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.895 -21.038 62.277 1.00 0.00 H new ATOM 0 HG13 VAL A 54 68.129 -20.133 63.187 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.707 -17.433 63.164 1.00 0.00 H new ATOM 0 HG22 VAL A 54 68.431 -17.696 62.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.402 -16.836 61.638 1.00 0.00 H new ATOM 830 N ASP A 55 66.451 -20.828 59.784 1.00 0.00 N ATOM 831 CA ASP A 55 65.803 -21.683 58.747 1.00 0.00 C ATOM 832 C ASP A 55 64.801 -20.849 57.948 1.00 0.00 C ATOM 833 O ASP A 55 64.412 -21.291 56.878 1.00 0.00 O ATOM 834 CB ASP A 55 65.073 -22.842 59.427 1.00 0.00 C ATOM 835 CG ASP A 55 63.887 -22.314 60.238 1.00 0.00 C ATOM 836 OD1 ASP A 55 63.728 -21.106 60.310 1.00 0.00 O ATOM 837 OD2 ASP A 55 63.154 -23.130 60.771 1.00 0.00 O ATOM 838 OXT ASP A 55 64.436 -19.786 58.424 1.00 0.00 O ATOM 0 H ASP A 55 66.014 -20.857 60.705 1.00 0.00 H new ATOM 0 HA ASP A 55 66.565 -22.076 58.074 1.00 0.00 H new ATOM 0 HB2 ASP A 55 64.723 -23.552 58.677 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.759 -23.381 60.080 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.686 -14.098 20.875 1.00 0.00 N ATOM 845 CA PHE B 1 93.026 -13.910 22.195 1.00 0.00 C ATOM 846 C PHE B 1 92.589 -15.270 22.762 1.00 0.00 C ATOM 847 O PHE B 1 93.051 -15.699 23.802 1.00 0.00 O ATOM 848 CB PHE B 1 91.790 -13.017 22.028 1.00 0.00 C ATOM 849 CG PHE B 1 92.201 -11.567 21.863 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.760 -11.128 20.653 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.995 -10.649 22.909 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.113 -9.782 20.490 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.352 -9.306 22.742 1.00 0.00 C ATOM 854 CZ PHE B 1 92.908 -8.873 21.534 1.00 0.00 C ATOM 0 H1 PHE B 1 93.841 -13.171 20.429 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.600 -14.575 21.009 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.079 -14.679 20.263 1.00 0.00 H new ATOM 0 HA PHE B 1 93.732 -13.441 22.880 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.216 -13.339 21.159 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.139 -13.120 22.896 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.918 -11.829 19.846 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.561 -10.981 23.841 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.543 -9.446 19.558 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.198 -8.603 23.547 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.180 -7.835 21.407 1.00 0.00 H new ATOM 866 N LEU B 2 91.675 -15.932 22.100 1.00 0.00 N ATOM 867 CA LEU B 2 91.169 -17.243 22.609 1.00 0.00 C ATOM 868 C LEU B 2 92.210 -18.362 22.461 1.00 0.00 C ATOM 869 O LEU B 2 92.226 -19.299 23.238 1.00 0.00 O ATOM 870 CB LEU B 2 89.920 -17.636 21.817 1.00 0.00 C ATOM 871 CG LEU B 2 88.905 -16.488 21.810 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.690 -16.900 20.974 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.450 -16.177 23.242 1.00 0.00 C ATOM 0 H LEU B 2 91.255 -15.620 21.224 1.00 0.00 H new ATOM 0 HA LEU B 2 90.947 -17.123 23.669 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.196 -17.891 20.794 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.469 -18.526 22.256 1.00 0.00 H new ATOM 0 HG LEU B 2 89.371 -15.600 21.383 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.963 -16.088 20.964 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.007 -17.116 19.954 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.234 -17.790 21.408 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.729 -15.360 23.225 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.985 -17.062 23.676 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.312 -15.888 23.843 1.00 0.00 H new ATOM 885 N ASP B 3 93.051 -18.312 21.466 1.00 0.00 N ATOM 886 CA ASP B 3 94.039 -19.421 21.291 1.00 0.00 C ATOM 887 C ASP B 3 94.973 -19.518 22.502 1.00 0.00 C ATOM 888 O ASP B 3 95.153 -20.576 23.076 1.00 0.00 O ATOM 889 CB ASP B 3 94.876 -19.168 20.037 1.00 0.00 C ATOM 890 CG ASP B 3 95.684 -20.422 19.711 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.726 -21.307 20.550 1.00 0.00 O ATOM 892 OD2 ASP B 3 96.247 -20.474 18.630 1.00 0.00 O ATOM 0 H ASP B 3 93.100 -17.564 20.774 1.00 0.00 H new ATOM 0 HA ASP B 3 93.488 -20.357 21.195 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.228 -18.910 19.199 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.544 -18.322 20.196 1.00 0.00 H new ATOM 897 N GLY B 4 95.572 -18.432 22.896 1.00 0.00 N ATOM 898 CA GLY B 4 96.497 -18.480 24.064 1.00 0.00 C ATOM 899 C GLY B 4 95.699 -18.721 25.341 1.00 0.00 C ATOM 900 O GLY B 4 96.090 -19.488 26.197 1.00 0.00 O ATOM 0 H GLY B 4 95.463 -17.515 22.463 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.231 -19.274 23.927 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.051 -17.544 24.141 1.00 0.00 H new ATOM 904 N ILE B 5 94.586 -18.066 25.480 1.00 0.00 N ATOM 905 CA ILE B 5 93.761 -18.246 26.704 1.00 0.00 C ATOM 906 C ILE B 5 93.346 -19.707 26.852 1.00 0.00 C ATOM 907 O ILE B 5 93.335 -20.246 27.940 1.00 0.00 O ATOM 908 CB ILE B 5 92.522 -17.359 26.607 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.958 -15.899 26.698 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.551 -17.674 27.749 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.802 -14.978 26.287 1.00 0.00 C ATOM 0 H ILE B 5 94.209 -17.410 24.796 1.00 0.00 H new ATOM 0 HA ILE B 5 94.347 -17.963 27.579 1.00 0.00 H new ATOM 0 HB ILE B 5 92.017 -17.544 25.659 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.273 -15.668 27.716 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.818 -15.727 26.051 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.673 -17.034 27.667 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.246 -18.719 27.689 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.043 -17.494 28.705 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.123 -13.939 26.355 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.507 -15.200 25.261 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.954 -15.140 26.952 1.00 0.00 H new ATOM 923 N ASP B 6 92.989 -20.350 25.776 1.00 0.00 N ATOM 924 CA ASP B 6 92.569 -21.769 25.889 1.00 0.00 C ATOM 925 C ASP B 6 93.688 -22.551 26.561 1.00 0.00 C ATOM 926 O ASP B 6 93.469 -23.306 27.488 1.00 0.00 O ATOM 927 CB ASP B 6 92.318 -22.346 24.490 1.00 0.00 C ATOM 928 CG ASP B 6 91.125 -21.638 23.847 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.383 -20.999 24.571 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.976 -21.746 22.642 1.00 0.00 O ATOM 0 H ASP B 6 92.970 -19.958 24.835 1.00 0.00 H new ATOM 0 HA ASP B 6 91.653 -21.840 26.475 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.205 -22.220 23.870 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.125 -23.417 24.557 1.00 0.00 H new ATOM 935 N LYS B 7 94.894 -22.364 26.109 1.00 0.00 N ATOM 936 CA LYS B 7 96.035 -23.084 26.732 1.00 0.00 C ATOM 937 C LYS B 7 96.257 -22.554 28.149 1.00 0.00 C ATOM 938 O LYS B 7 96.451 -23.305 29.082 1.00 0.00 O ATOM 939 CB LYS B 7 97.293 -22.858 25.895 1.00 0.00 C ATOM 940 CG LYS B 7 98.415 -23.770 26.406 1.00 0.00 C ATOM 941 CD LYS B 7 99.724 -23.470 25.649 1.00 0.00 C ATOM 942 CE LYS B 7 99.776 -24.282 24.346 1.00 0.00 C ATOM 943 NZ LYS B 7 99.967 -25.718 24.681 1.00 0.00 N ATOM 0 H LYS B 7 95.139 -21.745 25.336 1.00 0.00 H new ATOM 0 HA LYS B 7 95.816 -24.151 26.776 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.088 -23.069 24.845 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.601 -21.814 25.956 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.560 -23.617 27.475 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.137 -24.815 26.268 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.789 -22.405 25.426 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.581 -23.717 26.276 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.854 -24.146 23.780 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.592 -23.930 23.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.446 -26.198 23.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.548 -25.800 25.540 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 99.041 -26.162 24.845 1.00 0.00 H new ATOM 957 N ALA B 8 96.224 -21.258 28.314 1.00 0.00 N ATOM 958 CA ALA B 8 96.422 -20.680 29.670 1.00 0.00 C ATOM 959 C ALA B 8 95.271 -21.113 30.569 1.00 0.00 C ATOM 960 O ALA B 8 95.446 -21.346 31.747 1.00 0.00 O ATOM 961 CB ALA B 8 96.458 -19.151 29.579 1.00 0.00 C ATOM 0 H ALA B 8 96.069 -20.579 27.569 1.00 0.00 H new ATOM 0 HA ALA B 8 97.365 -21.034 30.085 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.603 -18.731 30.574 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.280 -18.844 28.932 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.517 -18.789 29.166 1.00 0.00 H new ATOM 967 N GLN B 9 94.089 -21.209 30.028 1.00 0.00 N ATOM 968 CA GLN B 9 92.927 -21.617 30.859 1.00 0.00 C ATOM 969 C GLN B 9 93.210 -22.986 31.480 1.00 0.00 C ATOM 970 O GLN B 9 92.910 -23.233 32.634 1.00 0.00 O ATOM 971 CB GLN B 9 91.686 -21.695 29.984 1.00 0.00 C ATOM 972 CG GLN B 9 90.452 -21.865 30.861 1.00 0.00 C ATOM 973 CD GLN B 9 89.217 -22.000 29.968 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.279 -22.599 28.913 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.090 -21.460 30.343 1.00 0.00 N ATOM 0 H GLN B 9 93.879 -21.022 29.047 1.00 0.00 H new ATOM 0 HA GLN B 9 92.763 -20.887 31.651 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.595 -20.790 29.383 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.770 -22.532 29.290 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.558 -22.748 31.492 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.343 -21.009 31.526 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.035 -20.957 31.228 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.264 -21.541 29.751 1.00 0.00 H new ATOM 984 N GLU B 10 93.796 -23.881 30.730 1.00 0.00 N ATOM 985 CA GLU B 10 94.108 -25.222 31.297 1.00 0.00 C ATOM 986 C GLU B 10 95.051 -25.040 32.484 1.00 0.00 C ATOM 987 O GLU B 10 94.916 -25.690 33.500 1.00 0.00 O ATOM 988 CB GLU B 10 94.780 -26.087 30.223 1.00 0.00 C ATOM 989 CG GLU B 10 94.902 -27.534 30.716 1.00 0.00 C ATOM 990 CD GLU B 10 93.554 -28.248 30.575 1.00 0.00 C ATOM 991 OE1 GLU B 10 92.560 -27.568 30.380 1.00 0.00 O ATOM 992 OE2 GLU B 10 93.540 -29.467 30.668 1.00 0.00 O ATOM 0 H GLU B 10 94.070 -23.742 29.757 1.00 0.00 H new ATOM 0 HA GLU B 10 93.193 -25.715 31.625 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.198 -26.056 29.302 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.768 -25.689 29.989 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.664 -28.060 30.141 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.223 -27.547 31.758 1.00 0.00 H new ATOM 999 N GLU B 11 95.995 -24.144 32.371 1.00 0.00 N ATOM 1000 CA GLU B 11 96.928 -23.916 33.505 1.00 0.00 C ATOM 1001 C GLU B 11 96.127 -23.455 34.717 1.00 0.00 C ATOM 1002 O GLU B 11 96.376 -23.872 35.829 1.00 0.00 O ATOM 1003 CB GLU B 11 97.959 -22.846 33.126 1.00 0.00 C ATOM 1004 CG GLU B 11 99.025 -22.734 34.228 1.00 0.00 C ATOM 1005 CD GLU B 11 98.478 -21.946 35.420 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.484 -21.256 35.253 1.00 0.00 O ATOM 1007 OE2 GLU B 11 99.070 -22.041 36.484 1.00 0.00 O ATOM 0 H GLU B 11 96.157 -23.565 31.547 1.00 0.00 H new ATOM 0 HA GLU B 11 97.454 -24.841 33.740 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.430 -23.102 32.177 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.464 -21.885 32.987 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.330 -23.730 34.551 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.914 -22.241 33.835 1.00 0.00 H new ATOM 1014 N HIS B 12 95.160 -22.608 34.514 1.00 0.00 N ATOM 1015 CA HIS B 12 94.350 -22.141 35.667 1.00 0.00 C ATOM 1016 C HIS B 12 93.622 -23.325 36.307 1.00 0.00 C ATOM 1017 O HIS B 12 93.586 -23.470 37.508 1.00 0.00 O ATOM 1018 CB HIS B 12 93.305 -21.118 35.215 1.00 0.00 C ATOM 1019 CG HIS B 12 92.595 -20.632 36.437 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.829 -19.369 36.999 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.733 -21.271 37.286 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.122 -19.303 38.148 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.461 -20.433 38.337 1.00 0.00 N ATOM 0 H HIS B 12 94.898 -22.222 33.607 1.00 0.00 H new ATOM 0 HA HIS B 12 95.025 -21.678 36.387 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.781 -20.288 34.693 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.601 -21.572 34.517 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.423 -18.636 36.612 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.335 -22.266 37.151 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.100 -18.453 38.814 1.00 0.00 H new ATOM 1031 N GLU B 13 93.037 -24.170 35.511 1.00 0.00 N ATOM 1032 CA GLU B 13 92.301 -25.335 36.077 1.00 0.00 C ATOM 1033 C GLU B 13 93.254 -26.222 36.884 1.00 0.00 C ATOM 1034 O GLU B 13 92.928 -26.679 37.964 1.00 0.00 O ATOM 1035 CB GLU B 13 91.702 -26.158 34.928 1.00 0.00 C ATOM 1036 CG GLU B 13 90.750 -27.221 35.485 1.00 0.00 C ATOM 1037 CD GLU B 13 89.487 -26.547 36.014 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.223 -25.429 35.606 1.00 0.00 O ATOM 1039 OE2 GLU B 13 88.808 -27.159 36.819 1.00 0.00 O ATOM 0 H GLU B 13 93.035 -24.107 34.493 1.00 0.00 H new ATOM 0 HA GLU B 13 91.510 -24.972 36.733 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.166 -25.503 34.241 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.499 -26.635 34.357 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.493 -27.938 34.706 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.239 -27.779 36.283 1.00 0.00 H new ATOM 1046 N LYS B 14 94.413 -26.496 36.355 1.00 0.00 N ATOM 1047 CA LYS B 14 95.379 -27.386 37.064 1.00 0.00 C ATOM 1048 C LYS B 14 95.811 -26.831 38.430 1.00 0.00 C ATOM 1049 O LYS B 14 96.126 -27.590 39.326 1.00 0.00 O ATOM 1050 CB LYS B 14 96.627 -27.572 36.196 1.00 0.00 C ATOM 1051 CG LYS B 14 96.276 -28.395 34.954 1.00 0.00 C ATOM 1052 CD LYS B 14 97.555 -28.773 34.198 1.00 0.00 C ATOM 1053 CE LYS B 14 98.074 -27.574 33.395 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.137 -28.031 32.457 1.00 0.00 N ATOM 0 H LYS B 14 94.737 -26.140 35.456 1.00 0.00 H new ATOM 0 HA LYS B 14 94.870 -28.334 37.237 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.023 -26.601 35.900 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.407 -28.074 36.768 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.736 -29.296 35.245 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.615 -27.823 34.303 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.317 -29.104 34.903 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.356 -29.609 33.528 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.257 -27.113 32.840 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.470 -26.815 34.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.491 -27.219 31.911 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.919 -28.452 32.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.744 -28.741 31.806 1.00 0.00 H new ATOM 1068 N TYR B 15 95.896 -25.529 38.593 1.00 0.00 N ATOM 1069 CA TYR B 15 96.394 -24.974 39.905 1.00 0.00 C ATOM 1070 C TYR B 15 95.574 -23.771 40.395 1.00 0.00 C ATOM 1071 O TYR B 15 95.819 -23.265 41.469 1.00 0.00 O ATOM 1072 CB TYR B 15 97.843 -24.520 39.693 1.00 0.00 C ATOM 1073 CG TYR B 15 98.641 -25.642 39.062 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.201 -26.634 39.874 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.826 -25.689 37.668 1.00 0.00 C ATOM 1076 CE1 TYR B 15 99.943 -27.674 39.301 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.572 -26.733 37.099 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.131 -27.721 37.916 1.00 0.00 C ATOM 1079 OH TYR B 15 100.869 -28.746 37.356 1.00 0.00 O ATOM 0 H TYR B 15 95.648 -24.833 37.890 1.00 0.00 H new ATOM 0 HA TYR B 15 96.305 -25.755 40.661 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.868 -23.638 39.053 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.288 -24.235 40.646 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.061 -26.598 40.944 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.396 -24.925 37.038 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.371 -28.441 39.930 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.714 -26.773 36.029 1.00 0.00 H new ATOM 0 HH TYR B 15 100.902 -28.631 36.383 1.00 0.00 H new ATOM 1089 N HIS B 16 94.651 -23.273 39.623 1.00 0.00 N ATOM 1090 CA HIS B 16 93.882 -22.069 40.064 1.00 0.00 C ATOM 1091 C HIS B 16 94.894 -20.983 40.414 1.00 0.00 C ATOM 1092 O HIS B 16 94.822 -20.353 41.451 1.00 0.00 O ATOM 1093 CB HIS B 16 93.010 -22.366 41.297 1.00 0.00 C ATOM 1094 CG HIS B 16 91.840 -23.255 40.939 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.659 -22.781 40.383 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.624 -24.606 41.102 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.797 -23.789 40.228 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.336 -24.936 40.654 1.00 0.00 N ATOM 0 H HIS B 16 94.393 -23.643 38.708 1.00 0.00 H new ATOM 0 HA HIS B 16 93.215 -21.757 39.261 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.614 -22.848 42.065 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.643 -21.431 41.720 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.338 -25.305 41.512 1.00 0.00 H new ATOM 0 HE1 HIS B 16 88.803 -23.691 39.816 1.00 0.00 H new ATOM 0 HE2 HIS B 16 89.901 -25.859 40.653 1.00 0.00 H new ATOM 1106 N SER B 17 95.858 -20.790 39.560 1.00 0.00 N ATOM 1107 CA SER B 17 96.910 -19.779 39.829 1.00 0.00 C ATOM 1108 C SER B 17 96.328 -18.365 39.762 1.00 0.00 C ATOM 1109 O SER B 17 95.297 -18.131 39.164 1.00 0.00 O ATOM 1110 CB SER B 17 98.016 -19.913 38.788 1.00 0.00 C ATOM 1111 OG SER B 17 97.479 -19.658 37.498 1.00 0.00 O ATOM 0 H SER B 17 95.961 -21.295 38.680 1.00 0.00 H new ATOM 0 HA SER B 17 97.311 -19.949 40.828 1.00 0.00 H new ATOM 0 HB2 SER B 17 98.822 -19.212 39.004 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.446 -20.914 38.824 1.00 0.00 H new ATOM 0 HG SER B 17 97.502 -20.481 36.966 1.00 0.00 H new ATOM 1117 N ASN B 18 96.998 -17.418 40.365 1.00 0.00 N ATOM 1118 CA ASN B 18 96.507 -16.010 40.331 1.00 0.00 C ATOM 1119 C ASN B 18 96.770 -15.426 38.942 1.00 0.00 C ATOM 1120 O ASN B 18 97.626 -15.892 38.215 1.00 0.00 O ATOM 1121 CB ASN B 18 97.247 -15.176 41.382 1.00 0.00 C ATOM 1122 CG ASN B 18 97.001 -15.757 42.772 1.00 0.00 C ATOM 1123 OD1 ASN B 18 95.953 -16.502 42.973 1.00 0.00 O flip ATOM 1124 ND2 ASN B 18 97.771 -15.529 43.686 1.00 0.00 N flip ATOM 0 H ASN B 18 97.866 -17.560 40.881 1.00 0.00 H new ATOM 0 HA ASN B 18 95.439 -15.991 40.547 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.315 -15.167 41.166 1.00 0.00 H new ATOM 0 HB3 ASN B 18 96.905 -14.142 41.345 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.592 -14.945 43.527 1.00 0.00 H new ATOM 0 HD22 ASN B 18 97.595 -15.922 44.611 1.00 0.00 H new ATOM 1131 N TRP B 19 96.044 -14.415 38.560 1.00 0.00 N ATOM 1132 CA TRP B 19 96.264 -13.823 37.217 1.00 0.00 C ATOM 1133 C TRP B 19 97.707 -13.336 37.095 1.00 0.00 C ATOM 1134 O TRP B 19 98.286 -13.343 36.024 1.00 0.00 O ATOM 1135 CB TRP B 19 95.289 -12.666 37.001 1.00 0.00 C ATOM 1136 CG TRP B 19 95.649 -11.507 37.868 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.111 -11.251 39.082 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.601 -10.435 37.605 1.00 0.00 C ATOM 1139 NE1 TRP B 19 95.671 -10.089 39.582 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.597 -9.550 38.709 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.465 -10.152 36.530 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.414 -8.418 38.740 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.289 -9.014 36.561 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.263 -8.150 37.665 1.00 0.00 C ATOM 0 H TRP B 19 95.312 -13.976 39.118 1.00 0.00 H new ATOM 0 HA TRP B 19 96.087 -14.580 36.453 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.303 -12.362 35.954 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.273 -12.993 37.225 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.366 -11.855 39.580 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.430 -9.680 40.485 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.495 -10.813 35.677 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.389 -7.754 39.591 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.946 -8.804 35.730 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.899 -7.278 37.684 1.00 0.00 H new ATOM 1155 N ARG B 20 98.301 -12.907 38.174 1.00 0.00 N ATOM 1156 CA ARG B 20 99.710 -12.430 38.087 1.00 0.00 C ATOM 1157 C ARG B 20 100.590 -13.583 37.619 1.00 0.00 C ATOM 1158 O ARG B 20 101.489 -13.413 36.819 1.00 0.00 O ATOM 1159 CB ARG B 20 100.191 -11.936 39.454 1.00 0.00 C ATOM 1160 CG ARG B 20 99.383 -10.710 39.869 1.00 0.00 C ATOM 1161 CD ARG B 20 99.926 -10.150 41.185 1.00 0.00 C ATOM 1162 NE ARG B 20 99.843 -11.187 42.253 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.517 -11.034 43.360 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.248 -9.964 43.538 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.455 -11.944 44.291 1.00 0.00 N ATOM 0 H ARG B 20 97.878 -12.866 39.101 1.00 0.00 H new ATOM 0 HA ARG B 20 99.769 -11.603 37.380 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.080 -12.726 40.197 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.251 -11.687 39.409 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.435 -9.949 39.091 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.333 -10.978 39.983 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.960 -9.832 41.055 1.00 0.00 H new ATOM 0 HD3 ARG B 20 99.356 -9.268 41.478 1.00 0.00 H new ATOM 0 HE ARG B 20 99.261 -12.014 42.119 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.291 -9.249 42.812 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.775 -9.844 44.403 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.880 -12.775 44.154 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.982 -11.825 45.156 1.00 0.00 H new ATOM 1179 N ALA B 21 100.339 -14.759 38.115 1.00 0.00 N ATOM 1180 CA ALA B 21 101.150 -15.925 37.686 1.00 0.00 C ATOM 1181 C ALA B 21 100.830 -16.248 36.226 1.00 0.00 C ATOM 1182 O ALA B 21 101.712 -16.409 35.405 1.00 0.00 O ATOM 1183 CB ALA B 21 100.826 -17.127 38.578 1.00 0.00 C ATOM 0 H ALA B 21 99.609 -14.962 38.797 1.00 0.00 H new ATOM 0 HA ALA B 21 102.211 -15.694 37.777 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.421 -17.984 38.264 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.059 -16.884 39.615 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.767 -17.369 38.491 1.00 0.00 H new ATOM 1189 N MET B 22 99.569 -16.336 35.889 1.00 0.00 N ATOM 1190 CA MET B 22 99.205 -16.639 34.475 1.00 0.00 C ATOM 1191 C MET B 22 99.715 -15.527 33.563 1.00 0.00 C ATOM 1192 O MET B 22 100.229 -15.778 32.495 1.00 0.00 O ATOM 1193 CB MET B 22 97.690 -16.738 34.338 1.00 0.00 C ATOM 1194 CG MET B 22 97.180 -17.933 35.141 1.00 0.00 C ATOM 1195 SD MET B 22 95.453 -18.251 34.713 1.00 0.00 S ATOM 1196 CE MET B 22 94.731 -16.790 35.499 1.00 0.00 C ATOM 0 H MET B 22 98.782 -16.212 36.527 1.00 0.00 H new ATOM 0 HA MET B 22 99.660 -17.588 34.190 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.222 -15.821 34.695 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.416 -16.848 33.289 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.787 -18.813 34.929 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.271 -17.733 36.209 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.648 -16.904 35.554 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.136 -16.680 36.505 1.00 0.00 H new ATOM 0 HE3 MET B 22 94.973 -15.904 34.912 1.00 0.00 H new ATOM 1206 N ALA B 23 99.579 -14.297 33.974 1.00 0.00 N ATOM 1207 CA ALA B 23 100.069 -13.182 33.115 1.00 0.00 C ATOM 1208 C ALA B 23 101.570 -13.354 32.884 1.00 0.00 C ATOM 1209 O ALA B 23 102.067 -13.191 31.791 1.00 0.00 O ATOM 1210 CB ALA B 23 99.806 -11.841 33.809 1.00 0.00 C ATOM 0 H ALA B 23 99.154 -14.017 34.858 1.00 0.00 H new ATOM 0 HA ALA B 23 99.545 -13.198 32.159 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.166 -11.028 33.178 1.00 0.00 H new ATOM 0 HB2 ALA B 23 98.736 -11.723 33.978 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.329 -11.817 34.765 1.00 0.00 H new ATOM 1216 N SER B 24 102.291 -13.688 33.918 1.00 0.00 N ATOM 1217 CA SER B 24 103.763 -13.884 33.781 1.00 0.00 C ATOM 1218 C SER B 24 104.052 -15.175 33.009 1.00 0.00 C ATOM 1219 O SER B 24 105.011 -15.264 32.269 1.00 0.00 O ATOM 1220 CB SER B 24 104.390 -13.968 35.170 1.00 0.00 C ATOM 1221 OG SER B 24 105.801 -13.846 35.059 1.00 0.00 O ATOM 0 H SER B 24 101.922 -13.835 34.858 1.00 0.00 H new ATOM 0 HA SER B 24 104.189 -13.042 33.234 1.00 0.00 H new ATOM 0 HB2 SER B 24 103.995 -13.177 35.808 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.132 -14.917 35.641 1.00 0.00 H new ATOM 0 HG SER B 24 106.205 -13.898 35.950 1.00 0.00 H new ATOM 1227 N ASP B 25 103.240 -16.179 33.195 1.00 0.00 N ATOM 1228 CA ASP B 25 103.475 -17.469 32.486 1.00 0.00 C ATOM 1229 C ASP B 25 103.398 -17.249 30.977 1.00 0.00 C ATOM 1230 O ASP B 25 104.198 -17.766 30.221 1.00 0.00 O ATOM 1231 CB ASP B 25 102.397 -18.478 32.892 1.00 0.00 C ATOM 1232 CG ASP B 25 102.576 -18.865 34.359 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.664 -18.667 34.874 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.624 -19.354 34.942 1.00 0.00 O ATOM 0 H ASP B 25 102.424 -16.162 33.807 1.00 0.00 H new ATOM 0 HA ASP B 25 104.461 -17.848 32.754 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.407 -18.048 32.738 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.461 -19.365 32.262 1.00 0.00 H new ATOM 1239 N PHE B 26 102.432 -16.488 30.538 1.00 0.00 N ATOM 1240 CA PHE B 26 102.265 -16.219 29.072 1.00 0.00 C ATOM 1241 C PHE B 26 102.654 -14.773 28.750 1.00 0.00 C ATOM 1242 O PHE B 26 102.596 -14.351 27.614 1.00 0.00 O ATOM 1243 CB PHE B 26 100.801 -16.459 28.699 1.00 0.00 C ATOM 1244 CG PHE B 26 100.456 -17.903 28.959 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.648 -18.855 27.953 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.951 -18.293 30.204 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.336 -20.197 28.191 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.639 -19.636 30.444 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.831 -20.591 29.437 1.00 0.00 C ATOM 0 H PHE B 26 101.741 -16.034 31.136 1.00 0.00 H new ATOM 0 HA PHE B 26 102.912 -16.884 28.500 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.152 -15.806 29.283 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.636 -16.216 27.649 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.037 -18.554 26.992 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.802 -17.557 30.980 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.485 -20.931 27.413 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.250 -19.936 31.406 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.590 -21.628 29.621 1.00 0.00 H new ATOM 1259 N ASN B 27 103.054 -14.016 29.738 1.00 0.00 N ATOM 1260 CA ASN B 27 103.455 -12.600 29.482 1.00 0.00 C ATOM 1261 C ASN B 27 102.325 -11.869 28.756 1.00 0.00 C ATOM 1262 O ASN B 27 102.550 -11.189 27.773 1.00 0.00 O ATOM 1263 CB ASN B 27 104.720 -12.568 28.616 1.00 0.00 C ATOM 1264 CG ASN B 27 105.861 -13.284 29.342 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.884 -13.340 30.557 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.815 -13.844 28.647 1.00 0.00 N ATOM 0 H ASN B 27 103.120 -14.316 30.711 1.00 0.00 H new ATOM 0 HA ASN B 27 103.655 -12.108 30.434 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.528 -13.049 27.657 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.001 -11.536 28.404 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.577 -14.327 29.123 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.798 -13.798 27.628 1.00 0.00 H new ATOM 1273 N LEU B 28 101.109 -12.002 29.228 1.00 0.00 N ATOM 1274 CA LEU B 28 99.955 -11.315 28.563 1.00 0.00 C ATOM 1275 C LEU B 28 99.418 -10.208 29.478 1.00 0.00 C ATOM 1276 O LEU B 28 99.467 -10.336 30.685 1.00 0.00 O ATOM 1277 CB LEU B 28 98.833 -12.332 28.334 1.00 0.00 C ATOM 1278 CG LEU B 28 99.243 -13.349 27.258 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.247 -14.513 27.256 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.262 -12.685 25.865 1.00 0.00 C ATOM 0 H LEU B 28 100.864 -12.558 30.047 1.00 0.00 H new ATOM 0 HA LEU B 28 100.287 -10.889 27.616 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.608 -12.850 29.266 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.923 -11.816 28.028 1.00 0.00 H new ATOM 0 HG LEU B 28 100.244 -13.717 27.483 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.535 -15.237 26.494 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.249 -14.995 28.233 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.247 -14.136 27.040 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.555 -13.420 25.115 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.268 -12.303 25.630 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.977 -11.862 25.864 1.00 0.00 H new ATOM 1292 N PRO B 29 98.878 -9.139 28.927 1.00 0.00 N ATOM 1293 CA PRO B 29 98.307 -8.040 29.751 1.00 0.00 C ATOM 1294 C PRO B 29 97.455 -8.591 30.909 1.00 0.00 C ATOM 1295 O PRO B 29 96.770 -9.579 30.741 1.00 0.00 O ATOM 1296 CB PRO B 29 97.412 -7.282 28.763 1.00 0.00 C ATOM 1297 CG PRO B 29 98.047 -7.490 27.426 1.00 0.00 C ATOM 1298 CD PRO B 29 98.761 -8.849 27.482 1.00 0.00 C ATOM 0 HA PRO B 29 99.080 -7.422 30.209 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.392 -7.667 28.779 1.00 0.00 H new ATOM 0 HB3 PRO B 29 97.357 -6.223 29.013 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.297 -7.480 26.636 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.754 -6.690 27.205 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.189 -9.621 26.966 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.740 -8.804 27.004 1.00 0.00 H new ATOM 1306 N PRO B 30 97.465 -7.964 32.061 1.00 0.00 N ATOM 1307 CA PRO B 30 96.642 -8.434 33.207 1.00 0.00 C ATOM 1308 C PRO B 30 95.218 -8.770 32.760 1.00 0.00 C ATOM 1309 O PRO B 30 94.609 -9.715 33.213 1.00 0.00 O ATOM 1310 CB PRO B 30 96.625 -7.234 34.169 1.00 0.00 C ATOM 1311 CG PRO B 30 97.854 -6.436 33.853 1.00 0.00 C ATOM 1312 CD PRO B 30 98.245 -6.756 32.400 1.00 0.00 C ATOM 0 HA PRO B 30 97.044 -9.341 33.659 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.725 -6.635 34.031 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.631 -7.566 35.207 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.662 -5.370 33.973 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.665 -6.693 34.535 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.004 -5.928 31.733 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.316 -6.937 32.308 1.00 0.00 H new ATOM 1320 N VAL B 31 94.689 -7.971 31.882 1.00 0.00 N ATOM 1321 CA VAL B 31 93.296 -8.186 31.401 1.00 0.00 C ATOM 1322 C VAL B 31 93.108 -9.620 30.925 1.00 0.00 C ATOM 1323 O VAL B 31 92.155 -10.278 31.286 1.00 0.00 O ATOM 1324 CB VAL B 31 93.028 -7.222 30.231 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.601 -7.394 29.666 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.210 -5.785 30.727 1.00 0.00 C ATOM 0 H VAL B 31 95.166 -7.168 31.471 1.00 0.00 H new ATOM 0 HA VAL B 31 92.600 -7.999 32.219 1.00 0.00 H new ATOM 0 HB VAL B 31 93.732 -7.446 29.430 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.449 -6.697 28.842 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.473 -8.415 29.306 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.872 -7.192 30.451 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.023 -5.091 29.908 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.508 -5.588 31.537 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.229 -5.652 31.090 1.00 0.00 H new ATOM 1336 N VAL B 32 93.977 -10.112 30.106 1.00 0.00 N ATOM 1337 CA VAL B 32 93.778 -11.494 29.619 1.00 0.00 C ATOM 1338 C VAL B 32 93.887 -12.462 30.795 1.00 0.00 C ATOM 1339 O VAL B 32 93.047 -13.321 30.987 1.00 0.00 O ATOM 1340 CB VAL B 32 94.817 -11.829 28.556 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.580 -13.253 28.053 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.673 -10.844 27.393 1.00 0.00 C ATOM 0 H VAL B 32 94.804 -9.629 29.756 1.00 0.00 H new ATOM 0 HA VAL B 32 92.788 -11.584 29.171 1.00 0.00 H new ATOM 0 HB VAL B 32 95.820 -11.756 28.977 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.321 -13.498 27.292 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.669 -13.952 28.885 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.581 -13.326 27.623 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.413 -11.075 26.627 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.672 -10.926 26.968 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.831 -9.828 27.755 1.00 0.00 H new ATOM 1352 N ALA B 33 94.901 -12.322 31.599 1.00 0.00 N ATOM 1353 CA ALA B 33 95.043 -13.229 32.773 1.00 0.00 C ATOM 1354 C ALA B 33 93.897 -12.975 33.761 1.00 0.00 C ATOM 1355 O ALA B 33 93.268 -13.895 34.251 1.00 0.00 O ATOM 1356 CB ALA B 33 96.383 -12.961 33.460 1.00 0.00 C ATOM 0 H ALA B 33 95.636 -11.622 31.496 1.00 0.00 H new ATOM 0 HA ALA B 33 95.006 -14.266 32.439 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.490 -13.623 34.319 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.195 -13.145 32.757 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.420 -11.924 33.794 1.00 0.00 H new ATOM 1362 N LYS B 34 93.618 -11.734 34.055 1.00 0.00 N ATOM 1363 CA LYS B 34 92.514 -11.424 35.008 1.00 0.00 C ATOM 1364 C LYS B 34 91.186 -11.963 34.483 1.00 0.00 C ATOM 1365 O LYS B 34 90.344 -12.400 35.240 1.00 0.00 O ATOM 1366 CB LYS B 34 92.410 -9.910 35.217 1.00 0.00 C ATOM 1367 CG LYS B 34 93.589 -9.421 36.073 1.00 0.00 C ATOM 1368 CD LYS B 34 93.374 -7.955 36.463 1.00 0.00 C ATOM 1369 CE LYS B 34 94.449 -7.535 37.469 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.417 -6.056 37.648 1.00 0.00 N ATOM 0 H LYS B 34 94.106 -10.922 33.677 1.00 0.00 H new ATOM 0 HA LYS B 34 92.736 -11.905 35.961 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.412 -9.400 34.254 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.467 -9.665 35.706 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.680 -10.036 36.969 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.521 -9.526 35.518 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.421 -7.321 35.578 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.383 -7.824 36.897 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.280 -8.031 38.425 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.432 -7.848 37.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.148 -5.773 38.332 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.598 -5.592 36.735 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.482 -5.769 38.002 1.00 0.00 H new ATOM 1384 N GLU B 35 90.972 -11.916 33.200 1.00 0.00 N ATOM 1385 CA GLU B 35 89.678 -12.414 32.660 1.00 0.00 C ATOM 1386 C GLU B 35 89.535 -13.910 32.946 1.00 0.00 C ATOM 1387 O GLU B 35 88.459 -14.393 33.239 1.00 0.00 O ATOM 1388 CB GLU B 35 89.615 -12.174 31.154 1.00 0.00 C ATOM 1389 CG GLU B 35 88.164 -12.294 30.665 1.00 0.00 C ATOM 1390 CD GLU B 35 87.747 -13.771 30.599 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.625 -14.619 30.589 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.552 -14.030 30.561 1.00 0.00 O ATOM 0 H GLU B 35 91.629 -11.558 32.507 1.00 0.00 H new ATOM 0 HA GLU B 35 88.863 -11.875 33.144 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.007 -11.185 30.918 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.244 -12.898 30.635 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.500 -11.751 31.337 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.065 -11.836 29.681 1.00 0.00 H new ATOM 1399 N ILE B 36 90.602 -14.654 32.857 1.00 0.00 N ATOM 1400 CA ILE B 36 90.489 -16.112 33.124 1.00 0.00 C ATOM 1401 C ILE B 36 89.978 -16.319 34.546 1.00 0.00 C ATOM 1402 O ILE B 36 89.143 -17.161 34.797 1.00 0.00 O ATOM 1403 CB ILE B 36 91.848 -16.780 32.950 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.292 -16.625 31.491 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.729 -18.266 33.310 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.709 -17.181 31.315 1.00 0.00 C ATOM 0 H ILE B 36 91.535 -14.320 32.614 1.00 0.00 H new ATOM 0 HA ILE B 36 89.790 -16.561 32.418 1.00 0.00 H new ATOM 0 HB ILE B 36 92.585 -16.314 33.604 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.601 -17.152 30.833 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.266 -15.574 31.204 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.698 -18.749 33.187 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.403 -18.365 34.345 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.001 -18.742 32.653 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.018 -17.068 30.276 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.397 -16.634 31.960 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.721 -18.237 31.584 1.00 0.00 H new ATOM 1418 N VAL B 37 90.450 -15.532 35.473 1.00 0.00 N ATOM 1419 CA VAL B 37 89.967 -15.662 36.879 1.00 0.00 C ATOM 1420 C VAL B 37 88.476 -15.330 36.907 1.00 0.00 C ATOM 1421 O VAL B 37 87.696 -15.966 37.592 1.00 0.00 O ATOM 1422 CB VAL B 37 90.748 -14.702 37.779 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.248 -14.811 39.221 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.232 -15.066 37.733 1.00 0.00 C ATOM 0 H VAL B 37 91.149 -14.805 35.319 1.00 0.00 H new ATOM 0 HA VAL B 37 90.122 -16.677 37.245 1.00 0.00 H new ATOM 0 HB VAL B 37 90.602 -13.681 37.426 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.810 -14.124 39.854 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.189 -14.556 39.259 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.388 -15.831 39.579 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.794 -14.385 38.373 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.367 -16.089 38.085 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.595 -14.984 36.709 1.00 0.00 H new ATOM 1434 N ALA B 38 88.072 -14.347 36.152 1.00 0.00 N ATOM 1435 CA ALA B 38 86.629 -13.975 36.108 1.00 0.00 C ATOM 1436 C ALA B 38 85.819 -15.182 35.622 1.00 0.00 C ATOM 1437 O ALA B 38 84.672 -15.365 35.977 1.00 0.00 O ATOM 1438 CB ALA B 38 86.436 -12.799 35.145 1.00 0.00 C ATOM 0 H ALA B 38 88.682 -13.782 35.561 1.00 0.00 H new ATOM 0 HA ALA B 38 86.289 -13.683 37.102 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.381 -12.526 35.111 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.021 -11.947 35.490 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.768 -13.087 34.148 1.00 0.00 H new ATOM 1444 N SER B 39 86.410 -16.008 34.806 1.00 0.00 N ATOM 1445 CA SER B 39 85.679 -17.201 34.293 1.00 0.00 C ATOM 1446 C SER B 39 85.638 -18.286 35.375 1.00 0.00 C ATOM 1447 O SER B 39 84.731 -19.093 35.425 1.00 0.00 O ATOM 1448 CB SER B 39 86.404 -17.749 33.060 1.00 0.00 C ATOM 1449 OG SER B 39 86.521 -16.724 32.084 1.00 0.00 O ATOM 0 H SER B 39 87.368 -15.909 34.471 1.00 0.00 H new ATOM 0 HA SER B 39 84.662 -16.913 34.027 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.392 -18.115 33.339 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.855 -18.596 32.649 1.00 0.00 H new ATOM 0 HG SER B 39 87.177 -16.061 32.383 1.00 0.00 H new ATOM 1455 N CYS B 40 86.621 -18.319 36.231 1.00 0.00 N ATOM 1456 CA CYS B 40 86.646 -19.356 37.301 1.00 0.00 C ATOM 1457 C CYS B 40 85.747 -18.921 38.455 1.00 0.00 C ATOM 1458 O CYS B 40 86.092 -18.051 39.226 1.00 0.00 O ATOM 1459 CB CYS B 40 88.076 -19.514 37.811 1.00 0.00 C ATOM 1460 SG CYS B 40 88.103 -20.673 39.199 1.00 0.00 S ATOM 0 H CYS B 40 87.409 -17.672 36.236 1.00 0.00 H new ATOM 0 HA CYS B 40 86.288 -20.304 36.899 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.720 -19.876 37.010 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.470 -18.547 38.124 1.00 0.00 H new ATOM 1465 N ASP B 41 84.597 -19.524 38.575 1.00 0.00 N ATOM 1466 CA ASP B 41 83.665 -19.150 39.678 1.00 0.00 C ATOM 1467 C ASP B 41 84.317 -19.415 41.037 1.00 0.00 C ATOM 1468 O ASP B 41 84.027 -18.752 42.013 1.00 0.00 O ATOM 1469 CB ASP B 41 82.378 -19.979 39.577 1.00 0.00 C ATOM 1470 CG ASP B 41 81.606 -19.580 38.320 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.874 -18.513 37.798 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.760 -20.354 37.899 1.00 0.00 O ATOM 0 H ASP B 41 84.261 -20.262 37.956 1.00 0.00 H new ATOM 0 HA ASP B 41 83.432 -18.089 39.587 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.620 -21.041 39.545 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.761 -19.819 40.461 1.00 0.00 H new ATOM 1477 N LYS B 42 85.171 -20.396 41.122 1.00 0.00 N ATOM 1478 CA LYS B 42 85.797 -20.707 42.436 1.00 0.00 C ATOM 1479 C LYS B 42 86.773 -19.602 42.861 1.00 0.00 C ATOM 1480 O LYS B 42 86.837 -19.240 44.019 1.00 0.00 O ATOM 1481 CB LYS B 42 86.552 -22.042 42.340 1.00 0.00 C ATOM 1482 CG LYS B 42 85.572 -23.164 41.977 1.00 0.00 C ATOM 1483 CD LYS B 42 86.312 -24.506 41.959 1.00 0.00 C ATOM 1484 CE LYS B 42 85.341 -25.627 41.578 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.898 -25.453 40.164 1.00 0.00 N ATOM 0 H LYS B 42 85.461 -20.991 40.346 1.00 0.00 H new ATOM 0 HA LYS B 42 85.007 -20.775 43.183 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.337 -21.974 41.587 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.039 -22.264 43.289 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.757 -23.196 42.700 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.126 -22.970 41.002 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.136 -24.468 41.247 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.746 -24.706 42.939 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.824 -26.596 41.701 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.478 -25.615 42.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.483 -26.342 39.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.186 -24.696 40.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.715 -25.199 39.573 1.00 0.00 H new ATOM 1499 N CYS B 43 87.534 -19.061 41.948 1.00 0.00 N ATOM 1500 CA CYS B 43 88.503 -17.986 42.332 1.00 0.00 C ATOM 1501 C CYS B 43 87.807 -16.618 42.319 1.00 0.00 C ATOM 1502 O CYS B 43 88.104 -15.749 43.118 1.00 0.00 O ATOM 1503 CB CYS B 43 89.684 -17.974 41.355 1.00 0.00 C ATOM 1504 SG CYS B 43 90.700 -19.452 41.612 1.00 0.00 S ATOM 0 H CYS B 43 87.530 -19.312 40.959 1.00 0.00 H new ATOM 0 HA CYS B 43 88.871 -18.188 43.338 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.319 -17.945 40.328 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.284 -17.077 41.505 1.00 0.00 H new ATOM 1509 N GLN B 44 86.895 -16.403 41.411 1.00 0.00 N ATOM 1510 CA GLN B 44 86.203 -15.076 41.341 1.00 0.00 C ATOM 1511 C GLN B 44 85.271 -14.875 42.538 1.00 0.00 C ATOM 1512 O GLN B 44 85.274 -13.835 43.169 1.00 0.00 O ATOM 1513 CB GLN B 44 85.363 -15.015 40.067 1.00 0.00 C ATOM 1514 CG GLN B 44 84.836 -13.591 39.851 1.00 0.00 C ATOM 1515 CD GLN B 44 83.793 -13.612 38.733 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.108 -12.634 38.506 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.636 -14.698 38.028 1.00 0.00 N ATOM 0 H GLN B 44 86.597 -17.085 40.714 1.00 0.00 H new ATOM 0 HA GLN B 44 86.964 -14.296 41.347 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.964 -15.323 39.211 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.529 -15.713 40.138 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.394 -13.209 40.771 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.655 -12.922 39.589 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.212 -15.518 38.220 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.938 -14.727 37.285 1.00 0.00 H new ATOM 1526 N LEU B 45 84.462 -15.845 42.846 1.00 0.00 N ATOM 1527 CA LEU B 45 83.521 -15.695 43.990 1.00 0.00 C ATOM 1528 C LEU B 45 84.257 -15.974 45.295 1.00 0.00 C ATOM 1529 O LEU B 45 83.657 -16.219 46.323 1.00 0.00 O ATOM 1530 CB LEU B 45 82.356 -16.668 43.830 1.00 0.00 C ATOM 1531 CG LEU B 45 81.551 -16.330 42.558 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.421 -17.352 42.390 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.947 -14.908 42.669 1.00 0.00 C ATOM 0 H LEU B 45 84.410 -16.738 42.355 1.00 0.00 H new ATOM 0 HA LEU B 45 83.132 -14.677 44.009 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.731 -17.690 43.771 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.707 -16.617 44.704 1.00 0.00 H new ATOM 0 HG LEU B 45 82.215 -16.365 41.695 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.849 -17.118 41.492 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.845 -18.352 42.299 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.764 -17.314 43.259 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.381 -14.681 41.765 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.284 -14.861 43.533 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.750 -14.180 42.787 1.00 0.00 H new ATOM 1545 N LYS B 46 85.553 -15.930 45.260 1.00 0.00 N ATOM 1546 CA LYS B 46 86.339 -16.182 46.497 1.00 0.00 C ATOM 1547 C LYS B 46 86.422 -14.872 47.279 1.00 0.00 C ATOM 1548 O LYS B 46 86.758 -13.839 46.739 1.00 0.00 O ATOM 1549 CB LYS B 46 87.751 -16.640 46.127 1.00 0.00 C ATOM 1550 CG LYS B 46 88.481 -17.136 47.378 1.00 0.00 C ATOM 1551 CD LYS B 46 89.908 -17.548 47.007 1.00 0.00 C ATOM 1552 CE LYS B 46 90.572 -18.244 48.200 1.00 0.00 C ATOM 1553 NZ LYS B 46 92.032 -18.382 47.943 1.00 0.00 N ATOM 0 H LYS B 46 86.106 -15.730 44.427 1.00 0.00 H new ATOM 0 HA LYS B 46 85.861 -16.957 47.096 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.702 -17.436 45.384 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.304 -15.816 45.675 1.00 0.00 H new ATOM 0 HG2 LYS B 46 88.503 -16.351 48.134 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.948 -17.982 47.812 1.00 0.00 H new ATOM 0 HD2 LYS B 46 89.891 -18.217 46.147 1.00 0.00 H new ATOM 0 HD3 LYS B 46 90.486 -16.671 46.718 1.00 0.00 H new ATOM 0 HE2 LYS B 46 90.405 -17.668 49.110 1.00 0.00 H new ATOM 0 HE3 LYS B 46 90.125 -19.226 48.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 92.484 -18.854 48.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 92.181 -18.949 47.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 92.452 -17.440 47.813 1.00 0.00 H new ATOM 1567 N GLY B 47 86.101 -14.900 48.544 1.00 0.00 N ATOM 1568 CA GLY B 47 86.144 -13.656 49.361 1.00 0.00 C ATOM 1569 C GLY B 47 85.066 -13.745 50.436 1.00 0.00 C ATOM 1570 O GLY B 47 84.528 -14.801 50.700 1.00 0.00 O ATOM 0 H GLY B 47 85.809 -15.737 49.049 1.00 0.00 H new ATOM 0 HA2 GLY B 47 87.126 -13.537 49.819 1.00 0.00 H new ATOM 0 HA3 GLY B 47 85.979 -12.783 48.730 1.00 0.00 H new ATOM 1574 N GLU B 48 84.745 -12.644 51.058 1.00 0.00 N ATOM 1575 CA GLU B 48 83.701 -12.660 52.124 1.00 0.00 C ATOM 1576 C GLU B 48 82.319 -12.453 51.498 1.00 0.00 C ATOM 1577 O GLU B 48 82.061 -11.464 50.838 1.00 0.00 O ATOM 1578 CB GLU B 48 83.984 -11.536 53.126 1.00 0.00 C ATOM 1579 CG GLU B 48 83.030 -11.656 54.313 1.00 0.00 C ATOM 1580 CD GLU B 48 83.248 -10.478 55.265 1.00 0.00 C ATOM 1581 OE1 GLU B 48 84.372 -10.300 55.711 1.00 0.00 O ATOM 1582 OE2 GLU B 48 82.287 -9.772 55.529 1.00 0.00 O ATOM 0 H GLU B 48 85.161 -11.731 50.874 1.00 0.00 H new ATOM 0 HA GLU B 48 83.721 -13.622 52.637 1.00 0.00 H new ATOM 0 HB2 GLU B 48 85.017 -11.593 53.469 1.00 0.00 H new ATOM 0 HB3 GLU B 48 83.861 -10.566 52.644 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.998 -11.668 53.963 1.00 0.00 H new ATOM 0 HG3 GLU B 48 83.201 -12.597 54.837 1.00 0.00 H new ATOM 1589 N ALA B 49 81.425 -13.381 51.711 1.00 0.00 N ATOM 1590 CA ALA B 49 80.045 -13.257 51.148 1.00 0.00 C ATOM 1591 C ALA B 49 79.124 -12.700 52.227 1.00 0.00 C ATOM 1592 O ALA B 49 79.356 -12.888 53.408 1.00 0.00 O ATOM 1593 CB ALA B 49 79.541 -14.636 50.717 1.00 0.00 C ATOM 0 H ALA B 49 81.591 -14.227 52.255 1.00 0.00 H new ATOM 0 HA ALA B 49 80.057 -12.592 50.285 1.00 0.00 H new ATOM 0 HB1 ALA B 49 78.535 -14.544 50.307 1.00 0.00 H new ATOM 0 HB2 ALA B 49 80.207 -15.046 49.957 1.00 0.00 H new ATOM 0 HB3 ALA B 49 79.522 -15.302 51.579 1.00 0.00 H new ATOM 1599 N MET B 50 78.073 -12.023 51.847 1.00 0.00 N ATOM 1600 CA MET B 50 77.150 -11.476 52.882 1.00 0.00 C ATOM 1601 C MET B 50 76.765 -12.608 53.831 1.00 0.00 C ATOM 1602 O MET B 50 76.303 -13.654 53.420 1.00 0.00 O ATOM 1603 CB MET B 50 75.888 -10.909 52.214 1.00 0.00 C ATOM 1604 CG MET B 50 74.976 -10.263 53.267 1.00 0.00 C ATOM 1605 SD MET B 50 73.923 -11.536 54.010 1.00 0.00 S ATOM 1606 CE MET B 50 72.754 -10.417 54.813 1.00 0.00 C ATOM 0 H MET B 50 77.817 -11.827 50.879 1.00 0.00 H new ATOM 0 HA MET B 50 77.643 -10.674 53.432 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.166 -10.171 51.461 1.00 0.00 H new ATOM 0 HB3 MET B 50 75.352 -11.705 51.697 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.577 -9.777 54.036 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.361 -9.489 52.807 1.00 0.00 H new ATOM 0 HE1 MET B 50 71.999 -10.998 55.343 1.00 0.00 H new ATOM 0 HE2 MET B 50 73.286 -9.782 55.521 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.270 -9.795 54.060 1.00 0.00 H new ATOM 1616 N HIS B 51 76.970 -12.410 55.099 1.00 0.00 N ATOM 1617 CA HIS B 51 76.642 -13.467 56.089 1.00 0.00 C ATOM 1618 C HIS B 51 76.320 -12.800 57.428 1.00 0.00 C ATOM 1619 O HIS B 51 76.345 -11.591 57.545 1.00 0.00 O ATOM 1620 CB HIS B 51 77.852 -14.400 56.238 1.00 0.00 C ATOM 1621 CG HIS B 51 78.984 -13.658 56.897 1.00 0.00 C ATOM 1622 ND1 HIS B 51 79.231 -12.314 56.654 1.00 0.00 N ATOM 1623 CD2 HIS B 51 79.944 -14.059 57.793 1.00 0.00 C ATOM 1624 CE1 HIS B 51 80.301 -11.957 57.388 1.00 0.00 C ATOM 1625 NE2 HIS B 51 80.770 -12.983 58.099 1.00 0.00 N ATOM 0 H HIS B 51 77.355 -11.553 55.496 1.00 0.00 H new ATOM 0 HA HIS B 51 75.781 -14.049 55.760 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.580 -15.272 56.833 1.00 0.00 H new ATOM 0 HB3 HIS B 51 78.164 -14.766 55.260 1.00 0.00 H new ATOM 0 HD2 HIS B 51 80.042 -15.056 58.197 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.726 -10.964 57.400 1.00 0.00 H new ATOM 0 HE2 HIS B 51 81.568 -12.979 58.734 1.00 0.00 H new ATOM 1633 N GLY B 52 76.024 -13.582 58.439 1.00 0.00 N ATOM 1634 CA GLY B 52 75.706 -13.008 59.787 1.00 0.00 C ATOM 1635 C GLY B 52 74.294 -13.411 60.192 1.00 0.00 C ATOM 1636 O GLY B 52 73.334 -13.120 59.507 1.00 0.00 O ATOM 0 H GLY B 52 75.989 -14.600 58.388 1.00 0.00 H new ATOM 0 HA2 GLY B 52 76.424 -13.367 60.525 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.792 -11.922 59.761 1.00 0.00 H new ATOM 1640 N GLN B 53 74.161 -14.078 61.308 1.00 0.00 N ATOM 1641 CA GLN B 53 72.810 -14.501 61.777 1.00 0.00 C ATOM 1642 C GLN B 53 72.288 -13.456 62.763 1.00 0.00 C ATOM 1643 O GLN B 53 72.920 -13.160 63.758 1.00 0.00 O ATOM 1644 CB GLN B 53 72.927 -15.857 62.477 1.00 0.00 C ATOM 1645 CG GLN B 53 73.628 -16.848 61.546 1.00 0.00 C ATOM 1646 CD GLN B 53 73.710 -18.217 62.222 1.00 0.00 C ATOM 1647 OE1 GLN B 53 73.021 -18.469 63.190 1.00 0.00 O ATOM 1648 NE2 GLN B 53 74.533 -19.111 61.754 1.00 0.00 N ATOM 0 H GLN B 53 74.933 -14.349 61.917 1.00 0.00 H new ATOM 0 HA GLN B 53 72.124 -14.588 60.934 1.00 0.00 H new ATOM 0 HB2 GLN B 53 73.489 -15.753 63.405 1.00 0.00 H new ATOM 0 HB3 GLN B 53 71.937 -16.228 62.743 1.00 0.00 H new ATOM 0 HG2 GLN B 53 73.082 -16.928 60.606 1.00 0.00 H new ATOM 0 HG3 GLN B 53 74.629 -16.490 61.304 1.00 0.00 H new ATOM 0 HE21 GLN B 53 75.110 -18.897 60.941 1.00 0.00 H new ATOM 0 HE22 GLN B 53 74.600 -20.026 62.200 1.00 0.00 H new ATOM 1657 N VAL B 54 71.147 -12.883 62.496 1.00 0.00 N ATOM 1658 CA VAL B 54 70.605 -11.850 63.426 1.00 0.00 C ATOM 1659 C VAL B 54 71.715 -10.840 63.742 1.00 0.00 C ATOM 1660 O VAL B 54 72.506 -10.489 62.889 1.00 0.00 O ATOM 1661 CB VAL B 54 70.111 -12.533 64.718 1.00 0.00 C ATOM 1662 CG1 VAL B 54 68.986 -11.706 65.355 1.00 0.00 C ATOM 1663 CG2 VAL B 54 69.573 -13.927 64.383 1.00 0.00 C ATOM 0 H VAL B 54 70.569 -13.083 61.680 1.00 0.00 H new ATOM 0 HA VAL B 54 69.766 -11.328 62.966 1.00 0.00 H new ATOM 0 HB VAL B 54 70.944 -12.611 65.417 1.00 0.00 H new ATOM 0 HG11 VAL B 54 68.645 -12.197 66.266 1.00 0.00 H new ATOM 0 HG12 VAL B 54 69.358 -10.711 65.597 1.00 0.00 H new ATOM 0 HG13 VAL B 54 68.155 -11.622 64.655 1.00 0.00 H new ATOM 0 HG21 VAL B 54 69.224 -14.411 65.295 1.00 0.00 H new ATOM 0 HG22 VAL B 54 68.745 -13.838 63.679 1.00 0.00 H new ATOM 0 HG23 VAL B 54 70.367 -14.526 63.936 1.00 0.00 H new ATOM 1673 N ASP B 55 71.787 -10.381 64.956 1.00 0.00 N ATOM 1674 CA ASP B 55 72.850 -9.397 65.324 1.00 0.00 C ATOM 1675 C ASP B 55 74.137 -10.147 65.694 1.00 0.00 C ATOM 1676 O ASP B 55 75.176 -9.509 65.739 1.00 0.00 O ATOM 1677 CB ASP B 55 72.379 -8.559 66.519 1.00 0.00 C ATOM 1678 CG ASP B 55 72.253 -9.445 67.759 1.00 0.00 C ATOM 1679 OD1 ASP B 55 72.470 -10.639 67.639 1.00 0.00 O ATOM 1680 OD2 ASP B 55 71.938 -8.911 68.810 1.00 0.00 O ATOM 1681 OXT ASP B 55 74.059 -11.346 65.920 1.00 0.00 O ATOM 0 H ASP B 55 71.157 -10.642 65.714 1.00 0.00 H new ATOM 0 HA ASP B 55 73.047 -8.740 64.477 1.00 0.00 H new ATOM 0 HB2 ASP B 55 73.086 -7.751 66.709 1.00 0.00 H new ATOM 0 HB3 ASP B 55 71.419 -8.096 66.293 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.231 -2.042 35.997 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.285 -20.883 39.864 1.00 0.00 ZN