USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 818 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.387 (180deg=0.103) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= -0.303 (180deg=-1.32!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -88:sc= 0.901 USER MOD Single : A 18 ASN : amide:sc= -0.057 X(o=-0.057,f=0) USER MOD Single : A 22 MET CE :methyl -152:sc= -0.0948 (180deg=-1.03) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.28! K(o=-1.3!,f=-0.062) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 78:sc= -0.186 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= -0.132 (180deg=-0.832) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 53 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.17) USER MOD Single : B 1 PHE N :NH3+ 150:sc= 0.304 (180deg=0.0527) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 139:sc= -0.251 (180deg=-1.35!) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -92:sc= 0.953 USER MOD Single : B 18 ASN : amide:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : B 22 MET CE :methyl -159:sc= -0.106 (180deg=-1.12) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.918 K(o=-0.92,f=-0.0097) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 94:sc= 0.119 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -1.45 K(o=-1.4,f=-0.89) USER MOD Single : B 46 LYS NZ :NH3+ -148:sc= -0.173 (180deg=-1.09) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.045) USER MOD Single : B 53 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.598 -3.864 23.897 1.00 0.00 N ATOM 2 CA PHE A 1 94.310 -4.451 25.237 1.00 0.00 C ATOM 3 C PHE A 1 93.958 -3.335 26.231 1.00 0.00 C ATOM 4 O PHE A 1 92.811 -2.966 26.385 1.00 0.00 O ATOM 5 CB PHE A 1 95.544 -5.206 25.731 1.00 0.00 C ATOM 6 CG PHE A 1 95.698 -6.505 24.972 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.083 -7.676 25.437 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.470 -6.541 23.805 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.239 -8.877 24.734 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.628 -7.742 23.104 1.00 0.00 C ATOM 11 CZ PHE A 1 96.014 -8.910 23.567 1.00 0.00 C ATOM 0 H1 PHE A 1 95.273 -4.471 23.390 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.716 -3.796 23.351 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.006 -2.915 24.014 1.00 0.00 H new ATOM 0 HA PHE A 1 93.466 -5.137 25.158 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.434 -4.591 25.598 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.453 -5.408 26.798 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.488 -7.652 26.338 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.945 -5.640 23.445 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.762 -9.778 25.091 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.225 -7.767 22.204 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.137 -9.836 23.026 1.00 0.00 H new ATOM 23 N LEU A 2 94.938 -2.803 26.914 1.00 0.00 N ATOM 24 CA LEU A 2 94.666 -1.722 27.909 1.00 0.00 C ATOM 25 C LEU A 2 94.030 -0.509 27.232 1.00 0.00 C ATOM 26 O LEU A 2 93.140 0.123 27.768 1.00 0.00 O ATOM 27 CB LEU A 2 95.987 -1.269 28.537 1.00 0.00 C ATOM 28 CG LEU A 2 96.672 -2.442 29.247 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.039 -1.978 29.764 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.808 -2.925 30.424 1.00 0.00 C ATOM 0 H LEU A 2 95.918 -3.071 26.826 1.00 0.00 H new ATOM 0 HA LEU A 2 93.987 -2.118 28.664 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.645 -0.868 27.766 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.802 -0.464 29.248 1.00 0.00 H new ATOM 0 HG LEU A 2 96.800 -3.268 28.547 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.536 -2.805 30.271 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.651 -1.646 28.926 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.903 -1.153 30.463 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.304 -3.759 30.921 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.671 -2.109 31.133 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.836 -3.250 30.053 1.00 0.00 H new ATOM 42 N ASP A 3 94.493 -0.162 26.069 1.00 0.00 N ATOM 43 CA ASP A 3 93.931 1.026 25.379 1.00 0.00 C ATOM 44 C ASP A 3 92.441 0.830 25.113 1.00 0.00 C ATOM 45 O ASP A 3 91.641 1.729 25.305 1.00 0.00 O ATOM 46 CB ASP A 3 94.654 1.234 24.056 1.00 0.00 C ATOM 47 CG ASP A 3 94.075 2.466 23.367 1.00 0.00 C ATOM 48 OD1 ASP A 3 93.012 2.353 22.789 1.00 0.00 O ATOM 49 OD2 ASP A 3 94.705 3.503 23.437 1.00 0.00 O ATOM 0 H ASP A 3 95.235 -0.649 25.566 1.00 0.00 H new ATOM 0 HA ASP A 3 94.066 1.899 26.017 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.723 1.364 24.226 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.537 0.356 23.420 1.00 0.00 H new ATOM 54 N GLY A 4 92.063 -0.329 24.667 1.00 0.00 N ATOM 55 CA GLY A 4 90.621 -0.582 24.382 1.00 0.00 C ATOM 56 C GLY A 4 89.820 -0.468 25.680 1.00 0.00 C ATOM 57 O GLY A 4 88.685 -0.042 25.685 1.00 0.00 O ATOM 0 H GLY A 4 92.687 -1.115 24.486 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.252 0.136 23.650 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.493 -1.574 23.948 1.00 0.00 H new ATOM 61 N ILE A 5 90.408 -0.854 26.780 1.00 0.00 N ATOM 62 CA ILE A 5 89.690 -0.780 28.084 1.00 0.00 C ATOM 63 C ILE A 5 89.427 0.685 28.466 1.00 0.00 C ATOM 64 O ILE A 5 88.378 1.011 28.978 1.00 0.00 O ATOM 65 CB ILE A 5 90.534 -1.480 29.164 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.412 -2.997 28.981 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.045 -1.091 30.562 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.482 -3.712 29.808 1.00 0.00 C ATOM 0 H ILE A 5 91.359 -1.219 26.831 1.00 0.00 H new ATOM 0 HA ILE A 5 88.727 -1.283 27.999 1.00 0.00 H new ATOM 0 HB ILE A 5 91.575 -1.172 29.063 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.421 -3.330 29.288 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.523 -3.254 27.928 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.653 -1.595 31.313 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.130 -0.012 30.690 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.003 -1.389 30.679 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.388 -4.789 29.672 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.470 -3.390 29.480 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.351 -3.467 30.862 1.00 0.00 H new ATOM 80 N ASP A 6 90.356 1.567 28.234 1.00 0.00 N ATOM 81 CA ASP A 6 90.122 2.989 28.612 1.00 0.00 C ATOM 82 C ASP A 6 88.909 3.534 27.859 1.00 0.00 C ATOM 83 O ASP A 6 88.008 4.105 28.440 1.00 0.00 O ATOM 84 CB ASP A 6 91.349 3.817 28.242 1.00 0.00 C ATOM 85 CG ASP A 6 91.107 5.278 28.625 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.012 5.582 29.071 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.022 6.070 28.468 1.00 0.00 O ATOM 0 H ASP A 6 91.259 1.369 27.803 1.00 0.00 H new ATOM 0 HA ASP A 6 89.940 3.049 29.685 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.229 3.435 28.759 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.547 3.737 27.173 1.00 0.00 H new ATOM 92 N LYS A 7 88.872 3.357 26.572 1.00 0.00 N ATOM 93 CA LYS A 7 87.711 3.852 25.780 1.00 0.00 C ATOM 94 C LYS A 7 86.452 3.092 26.186 1.00 0.00 C ATOM 95 O LYS A 7 85.381 3.650 26.296 1.00 0.00 O ATOM 96 CB LYS A 7 87.988 3.617 24.297 1.00 0.00 C ATOM 97 CG LYS A 7 89.096 4.558 23.828 1.00 0.00 C ATOM 98 CD LYS A 7 89.371 4.303 22.342 1.00 0.00 C ATOM 99 CE LYS A 7 90.479 5.240 21.859 1.00 0.00 C ATOM 100 NZ LYS A 7 90.837 4.899 20.451 1.00 0.00 N ATOM 0 H LYS A 7 89.598 2.889 26.029 1.00 0.00 H new ATOM 0 HA LYS A 7 87.565 4.916 25.968 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.283 2.581 24.131 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.082 3.788 23.716 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.800 5.595 23.984 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.002 4.394 24.412 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.666 3.265 22.189 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.464 4.466 21.760 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.147 6.276 21.921 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.355 5.147 22.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.590 5.535 20.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.170 3.915 20.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 90.000 5.009 19.844 1.00 0.00 H new ATOM 114 N ALA A 8 86.577 1.818 26.387 1.00 0.00 N ATOM 115 CA ALA A 8 85.399 0.996 26.775 1.00 0.00 C ATOM 116 C ALA A 8 84.957 1.338 28.203 1.00 0.00 C ATOM 117 O ALA A 8 83.798 1.237 28.541 1.00 0.00 O ATOM 118 CB ALA A 8 85.771 -0.481 26.684 1.00 0.00 C ATOM 0 H ALA A 8 87.452 1.302 26.299 1.00 0.00 H new ATOM 0 HA ALA A 8 84.571 1.209 26.098 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.913 -1.090 26.967 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.065 -0.720 25.662 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.602 -0.689 27.358 1.00 0.00 H new ATOM 124 N GLN A 9 85.880 1.718 29.049 1.00 0.00 N ATOM 125 CA GLN A 9 85.521 2.039 30.466 1.00 0.00 C ATOM 126 C GLN A 9 84.590 3.252 30.521 1.00 0.00 C ATOM 127 O GLN A 9 84.767 4.219 29.804 1.00 0.00 O ATOM 128 CB GLN A 9 86.801 2.351 31.245 1.00 0.00 C ATOM 129 CG GLN A 9 86.483 2.452 32.736 1.00 0.00 C ATOM 130 CD GLN A 9 87.780 2.661 33.528 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.860 2.637 32.969 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.717 2.867 34.815 1.00 0.00 N ATOM 0 H GLN A 9 86.869 1.820 28.821 1.00 0.00 H new ATOM 0 HA GLN A 9 85.009 1.183 30.906 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.542 1.571 31.073 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.235 3.286 30.891 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.798 3.280 32.916 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.982 1.545 33.073 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.812 2.887 35.285 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.573 3.008 35.351 1.00 0.00 H new ATOM 141 N GLU A 10 83.594 3.203 31.366 1.00 0.00 N ATOM 142 CA GLU A 10 82.646 4.348 31.468 1.00 0.00 C ATOM 143 C GLU A 10 81.799 4.209 32.744 1.00 0.00 C ATOM 144 O GLU A 10 81.970 3.279 33.511 1.00 0.00 O ATOM 145 CB GLU A 10 81.746 4.349 30.232 1.00 0.00 C ATOM 146 CG GLU A 10 80.953 3.041 30.165 1.00 0.00 C ATOM 147 CD GLU A 10 80.079 3.063 28.913 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.581 2.717 27.859 1.00 0.00 O ATOM 149 OE2 GLU A 10 78.923 3.439 29.021 1.00 0.00 O ATOM 0 H GLU A 10 83.397 2.420 31.989 1.00 0.00 H new ATOM 0 HA GLU A 10 83.197 5.287 31.520 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.063 5.197 30.269 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.350 4.465 29.332 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.632 2.188 30.137 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.335 2.928 31.056 1.00 0.00 H new ATOM 156 N GLU A 11 80.889 5.124 32.974 1.00 0.00 N ATOM 157 CA GLU A 11 80.034 5.035 34.196 1.00 0.00 C ATOM 158 C GLU A 11 79.218 3.740 34.136 1.00 0.00 C ATOM 159 O GLU A 11 78.896 3.244 33.072 1.00 0.00 O ATOM 160 CB GLU A 11 79.091 6.244 34.261 1.00 0.00 C ATOM 161 CG GLU A 11 79.906 7.514 34.520 1.00 0.00 C ATOM 162 CD GLU A 11 80.460 7.485 35.945 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.671 7.386 36.868 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.666 7.557 36.089 1.00 0.00 O ATOM 0 H GLU A 11 80.703 5.925 32.371 1.00 0.00 H new ATOM 0 HA GLU A 11 80.662 5.033 35.087 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.538 6.338 33.326 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.356 6.103 35.053 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.723 7.587 33.802 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.280 8.395 34.380 1.00 0.00 H new ATOM 171 N HIS A 12 78.891 3.192 35.276 1.00 0.00 N ATOM 172 CA HIS A 12 78.099 1.932 35.309 1.00 0.00 C ATOM 173 C HIS A 12 76.706 2.205 34.750 1.00 0.00 C ATOM 174 O HIS A 12 75.748 2.333 35.482 1.00 0.00 O ATOM 175 CB HIS A 12 77.997 1.465 36.760 1.00 0.00 C ATOM 176 CG HIS A 12 77.045 0.310 36.874 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.427 -1.006 36.641 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.719 0.259 37.225 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.342 -1.784 36.862 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.283 -1.057 37.218 1.00 0.00 N ATOM 0 H HIS A 12 79.141 3.567 36.191 1.00 0.00 H new ATOM 0 HA HIS A 12 78.579 1.160 34.707 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.981 1.170 37.123 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.658 2.287 37.390 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.108 1.115 37.470 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.335 -2.859 36.762 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.347 -1.398 37.439 1.00 0.00 H new ATOM 188 N GLU A 13 76.593 2.291 33.451 1.00 0.00 N ATOM 189 CA GLU A 13 75.270 2.559 32.823 1.00 0.00 C ATOM 190 C GLU A 13 74.623 1.244 32.397 1.00 0.00 C ATOM 191 O GLU A 13 75.024 0.173 32.809 1.00 0.00 O ATOM 192 CB GLU A 13 75.466 3.438 31.591 1.00 0.00 C ATOM 193 CG GLU A 13 76.065 4.779 32.011 1.00 0.00 C ATOM 194 CD GLU A 13 75.029 5.564 32.815 1.00 0.00 C ATOM 195 OE1 GLU A 13 73.872 5.530 32.435 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.408 6.183 33.795 1.00 0.00 O ATOM 0 H GLU A 13 77.367 2.186 32.795 1.00 0.00 H new ATOM 0 HA GLU A 13 74.627 3.064 33.544 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.124 2.941 30.878 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.512 3.596 31.088 1.00 0.00 H new ATOM 0 HG2 GLU A 13 76.962 4.619 32.610 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.367 5.347 31.131 1.00 0.00 H new ATOM 203 N LYS A 14 73.620 1.327 31.570 1.00 0.00 N ATOM 204 CA LYS A 14 72.919 0.096 31.098 1.00 0.00 C ATOM 205 C LYS A 14 73.840 -0.704 30.171 1.00 0.00 C ATOM 206 O LYS A 14 73.727 -1.907 30.054 1.00 0.00 O ATOM 207 CB LYS A 14 71.665 0.508 30.327 1.00 0.00 C ATOM 208 CG LYS A 14 70.636 1.089 31.303 1.00 0.00 C ATOM 209 CD LYS A 14 69.379 1.532 30.539 1.00 0.00 C ATOM 210 CE LYS A 14 68.467 0.328 30.264 1.00 0.00 C ATOM 211 NZ LYS A 14 68.083 -0.320 31.549 1.00 0.00 N ATOM 0 H LYS A 14 73.251 2.201 31.196 1.00 0.00 H new ATOM 0 HA LYS A 14 72.649 -0.521 31.955 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.918 1.246 29.566 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.244 -0.353 29.808 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.372 0.343 32.053 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.066 1.937 31.835 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.839 2.281 31.118 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.665 2.002 29.598 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.574 0.651 29.729 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.980 -0.389 29.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.143 -0.754 31.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 68.780 -1.053 31.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 68.057 0.395 32.304 1.00 0.00 H new ATOM 225 N TYR A 15 74.745 -0.039 29.507 1.00 0.00 N ATOM 226 CA TYR A 15 75.673 -0.742 28.575 1.00 0.00 C ATOM 227 C TYR A 15 76.482 -1.784 29.346 1.00 0.00 C ATOM 228 O TYR A 15 76.837 -2.822 28.818 1.00 0.00 O ATOM 229 CB TYR A 15 76.623 0.288 27.949 1.00 0.00 C ATOM 230 CG TYR A 15 75.919 1.013 26.826 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.176 2.170 27.096 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.007 0.525 25.518 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.521 2.836 26.057 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.352 1.190 24.480 1.00 0.00 C ATOM 235 CZ TYR A 15 74.608 2.348 24.749 1.00 0.00 C ATOM 236 OH TYR A 15 73.961 3.007 23.723 1.00 0.00 O ATOM 0 H TYR A 15 74.883 0.970 29.570 1.00 0.00 H new ATOM 0 HA TYR A 15 75.102 -1.242 27.792 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.952 1.001 28.705 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.516 -0.209 27.570 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.110 2.546 28.106 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.581 -0.366 25.311 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.948 3.728 26.264 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.418 0.813 23.470 1.00 0.00 H new ATOM 0 HH TYR A 15 74.124 2.538 22.878 1.00 0.00 H new ATOM 246 N HIS A 16 76.782 -1.527 30.587 1.00 0.00 N ATOM 247 CA HIS A 16 77.568 -2.526 31.362 1.00 0.00 C ATOM 248 C HIS A 16 76.786 -3.841 31.421 1.00 0.00 C ATOM 249 O HIS A 16 77.351 -4.910 31.305 1.00 0.00 O ATOM 250 CB HIS A 16 77.805 -2.002 32.790 1.00 0.00 C ATOM 251 CG HIS A 16 78.963 -1.037 32.800 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.700 -0.776 33.950 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.540 -0.285 31.805 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.670 0.097 33.624 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.615 0.426 32.333 1.00 0.00 N ATOM 0 H HIS A 16 76.522 -0.681 31.093 1.00 0.00 H new ATOM 0 HA HIS A 16 78.530 -2.692 30.877 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.906 -1.508 33.159 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.009 -2.835 33.463 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.212 -0.251 30.777 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.401 0.483 34.320 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.233 1.066 31.835 1.00 0.00 H new ATOM 263 N SER A 17 75.495 -3.775 31.588 1.00 0.00 N ATOM 264 CA SER A 17 74.689 -5.027 31.647 1.00 0.00 C ATOM 265 C SER A 17 74.818 -5.787 30.315 1.00 0.00 C ATOM 266 O SER A 17 74.955 -6.994 30.295 1.00 0.00 O ATOM 267 CB SER A 17 73.225 -4.663 31.878 1.00 0.00 C ATOM 268 OG SER A 17 72.699 -4.094 30.690 1.00 0.00 O ATOM 0 H SER A 17 74.963 -2.910 31.686 1.00 0.00 H new ATOM 0 HA SER A 17 75.050 -5.658 32.460 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.655 -5.550 32.155 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.138 -3.957 32.704 1.00 0.00 H new ATOM 0 HG SER A 17 72.853 -3.126 30.695 1.00 0.00 H new ATOM 274 N ASN A 18 74.772 -5.091 29.204 1.00 0.00 N ATOM 275 CA ASN A 18 74.894 -5.771 27.876 1.00 0.00 C ATOM 276 C ASN A 18 76.357 -5.757 27.433 1.00 0.00 C ATOM 277 O ASN A 18 76.806 -4.847 26.767 1.00 0.00 O ATOM 278 CB ASN A 18 74.044 -5.026 26.846 1.00 0.00 C ATOM 279 CG ASN A 18 72.586 -5.052 27.292 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.965 -4.018 27.450 1.00 0.00 O ATOM 281 ND2 ASN A 18 72.014 -6.203 27.521 1.00 0.00 N ATOM 0 H ASN A 18 74.655 -4.079 29.160 1.00 0.00 H new ATOM 0 HA ASN A 18 74.548 -6.801 27.959 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.389 -3.997 26.747 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.146 -5.492 25.866 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.044 -6.237 27.833 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.537 -7.068 27.388 1.00 0.00 H new ATOM 288 N TRP A 19 77.108 -6.756 27.799 1.00 0.00 N ATOM 289 CA TRP A 19 78.541 -6.796 27.400 1.00 0.00 C ATOM 290 C TRP A 19 78.655 -7.059 25.897 1.00 0.00 C ATOM 291 O TRP A 19 79.610 -6.661 25.262 1.00 0.00 O ATOM 292 CB TRP A 19 79.287 -7.871 28.200 1.00 0.00 C ATOM 293 CG TRP A 19 78.825 -9.238 27.812 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.941 -9.991 28.510 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.215 -10.033 26.657 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.769 -11.199 27.857 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.534 -11.271 26.709 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.089 -9.801 25.579 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.714 -12.245 25.727 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.270 -10.780 24.589 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.585 -12.000 24.662 1.00 0.00 C ATOM 0 H TRP A 19 76.791 -7.548 28.358 1.00 0.00 H new ATOM 0 HA TRP A 19 78.999 -5.832 27.619 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.359 -7.782 28.026 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.123 -7.716 29.266 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.451 -9.697 29.426 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.153 -11.944 28.183 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.623 -8.865 25.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.183 -13.183 25.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.942 -10.591 23.765 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.730 -12.749 23.897 1.00 0.00 H new ATOM 312 N ARG A 20 77.699 -7.737 25.325 1.00 0.00 N ATOM 313 CA ARG A 20 77.760 -8.025 23.861 1.00 0.00 C ATOM 314 C ARG A 20 77.785 -6.713 23.076 1.00 0.00 C ATOM 315 O ARG A 20 78.499 -6.577 22.103 1.00 0.00 O ATOM 316 CB ARG A 20 76.537 -8.847 23.443 1.00 0.00 C ATOM 317 CG ARG A 20 76.646 -10.260 24.015 1.00 0.00 C ATOM 318 CD ARG A 20 75.437 -11.089 23.572 1.00 0.00 C ATOM 319 NE ARG A 20 75.401 -11.147 22.079 1.00 0.00 N ATOM 320 CZ ARG A 20 74.626 -12.008 21.474 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.862 -12.798 22.175 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.607 -12.068 20.166 1.00 0.00 N ATOM 0 H ARG A 20 76.878 -8.105 25.806 1.00 0.00 H new ATOM 0 HA ARG A 20 78.666 -8.591 23.647 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.626 -8.369 23.801 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.469 -8.889 22.356 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.568 -10.731 23.673 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.693 -10.220 25.103 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.500 -12.096 23.985 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.517 -10.645 23.953 1.00 0.00 H new ATOM 0 HE ARG A 20 75.983 -10.513 21.531 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.870 -12.743 23.194 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.256 -13.471 21.705 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.198 -11.442 19.618 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.002 -12.740 19.695 1.00 0.00 H new ATOM 336 N ALA A 21 77.019 -5.744 23.493 1.00 0.00 N ATOM 337 CA ALA A 21 77.012 -4.440 22.765 1.00 0.00 C ATOM 338 C ALA A 21 78.408 -3.811 22.815 1.00 0.00 C ATOM 339 O ALA A 21 78.877 -3.242 21.850 1.00 0.00 O ATOM 340 CB ALA A 21 76.009 -3.490 23.432 1.00 0.00 C ATOM 0 H ALA A 21 76.400 -5.796 24.302 1.00 0.00 H new ATOM 0 HA ALA A 21 76.727 -4.610 21.727 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.002 -2.537 22.902 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.013 -3.931 23.399 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.298 -3.326 24.470 1.00 0.00 H new ATOM 346 N MET A 22 79.069 -3.904 23.936 1.00 0.00 N ATOM 347 CA MET A 22 80.429 -3.299 24.061 1.00 0.00 C ATOM 348 C MET A 22 81.395 -3.963 23.077 1.00 0.00 C ATOM 349 O MET A 22 82.199 -3.312 22.438 1.00 0.00 O ATOM 350 CB MET A 22 80.947 -3.519 25.483 1.00 0.00 C ATOM 351 CG MET A 22 82.182 -2.644 25.711 1.00 0.00 C ATOM 352 SD MET A 22 83.067 -3.194 27.195 1.00 0.00 S ATOM 353 CE MET A 22 81.691 -3.072 28.366 1.00 0.00 C ATOM 0 H MET A 22 78.726 -4.374 24.774 1.00 0.00 H new ATOM 0 HA MET A 22 80.365 -2.233 23.841 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.172 -3.270 26.208 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.198 -4.569 25.633 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.841 -2.697 24.844 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.884 -1.601 25.821 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.080 -2.877 29.365 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.031 -2.257 28.068 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.133 -4.008 28.370 1.00 0.00 H new ATOM 363 N ALA A 23 81.332 -5.260 22.959 1.00 0.00 N ATOM 364 CA ALA A 23 82.255 -5.971 22.029 1.00 0.00 C ATOM 365 C ALA A 23 81.988 -5.525 20.590 1.00 0.00 C ATOM 366 O ALA A 23 82.897 -5.301 19.818 1.00 0.00 O ATOM 367 CB ALA A 23 82.029 -7.482 22.159 1.00 0.00 C ATOM 0 H ALA A 23 80.681 -5.859 23.466 1.00 0.00 H new ATOM 0 HA ALA A 23 83.288 -5.733 22.283 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.700 -8.010 21.482 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.229 -7.793 23.184 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.996 -7.719 21.903 1.00 0.00 H new ATOM 373 N SER A 24 80.744 -5.402 20.227 1.00 0.00 N ATOM 374 CA SER A 24 80.397 -4.979 18.840 1.00 0.00 C ATOM 375 C SER A 24 80.789 -3.513 18.627 1.00 0.00 C ATOM 376 O SER A 24 81.268 -3.131 17.576 1.00 0.00 O ATOM 377 CB SER A 24 78.889 -5.139 18.634 1.00 0.00 C ATOM 378 OG SER A 24 78.550 -4.834 17.284 1.00 0.00 O ATOM 0 H SER A 24 79.944 -5.577 20.836 1.00 0.00 H new ATOM 0 HA SER A 24 80.938 -5.598 18.125 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.586 -6.159 18.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.348 -4.479 19.312 1.00 0.00 H new ATOM 0 HG SER A 24 77.584 -4.940 17.157 1.00 0.00 H new ATOM 384 N ASP A 25 80.570 -2.686 19.609 1.00 0.00 N ATOM 385 CA ASP A 25 80.913 -1.242 19.464 1.00 0.00 C ATOM 386 C ASP A 25 82.411 -1.087 19.199 1.00 0.00 C ATOM 387 O ASP A 25 82.830 -0.266 18.407 1.00 0.00 O ATOM 388 CB ASP A 25 80.538 -0.501 20.748 1.00 0.00 C ATOM 389 CG ASP A 25 80.831 0.994 20.585 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.570 1.337 19.682 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.304 1.766 21.365 1.00 0.00 O ATOM 0 H ASP A 25 80.167 -2.947 20.509 1.00 0.00 H new ATOM 0 HA ASP A 25 80.359 -0.822 18.625 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.482 -0.652 20.972 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.103 -0.903 21.589 1.00 0.00 H new ATOM 396 N PHE A 26 83.216 -1.860 19.876 1.00 0.00 N ATOM 397 CA PHE A 26 84.700 -1.772 19.695 1.00 0.00 C ATOM 398 C PHE A 26 85.210 -2.979 18.897 1.00 0.00 C ATOM 399 O PHE A 26 86.392 -3.115 18.649 1.00 0.00 O ATOM 400 CB PHE A 26 85.358 -1.749 21.076 1.00 0.00 C ATOM 401 CG PHE A 26 85.013 -0.447 21.759 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.768 0.698 21.478 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.945 -0.376 22.662 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.457 1.913 22.101 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.633 0.842 23.285 1.00 0.00 C ATOM 406 CZ PHE A 26 84.390 1.985 23.002 1.00 0.00 C ATOM 0 H PHE A 26 82.909 -2.557 20.555 1.00 0.00 H new ATOM 0 HA PHE A 26 84.950 -0.865 19.145 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.011 -2.592 21.673 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.439 -1.850 20.980 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.591 0.644 20.780 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.362 -1.259 22.879 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.042 2.795 21.885 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.810 0.898 23.982 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.150 2.923 23.480 1.00 0.00 H new ATOM 416 N ASN A 27 84.325 -3.851 18.483 1.00 0.00 N ATOM 417 CA ASN A 27 84.752 -5.048 17.693 1.00 0.00 C ATOM 418 C ASN A 27 85.836 -5.827 18.442 1.00 0.00 C ATOM 419 O ASN A 27 86.823 -6.241 17.866 1.00 0.00 O ATOM 420 CB ASN A 27 85.285 -4.621 16.320 1.00 0.00 C ATOM 421 CG ASN A 27 84.137 -4.064 15.477 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.329 -3.158 14.690 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.942 -4.577 15.600 1.00 0.00 N ATOM 0 H ASN A 27 83.322 -3.786 18.658 1.00 0.00 H new ATOM 0 HA ASN A 27 83.882 -5.691 17.555 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.062 -3.866 16.439 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.742 -5.472 15.815 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.172 -4.217 15.036 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.779 -5.337 16.260 1.00 0.00 H new ATOM 430 N LEU A 28 85.650 -6.036 19.718 1.00 0.00 N ATOM 431 CA LEU A 28 86.648 -6.805 20.529 1.00 0.00 C ATOM 432 C LEU A 28 85.985 -8.112 20.977 1.00 0.00 C ATOM 433 O LEU A 28 84.784 -8.166 21.146 1.00 0.00 O ATOM 434 CB LEU A 28 87.023 -5.990 21.771 1.00 0.00 C ATOM 435 CG LEU A 28 87.710 -4.683 21.361 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.763 -3.761 22.578 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.143 -4.958 20.861 1.00 0.00 C ATOM 0 H LEU A 28 84.840 -5.704 20.242 1.00 0.00 H new ATOM 0 HA LEU A 28 87.543 -7.007 19.940 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.129 -5.771 22.355 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.686 -6.573 22.410 1.00 0.00 H new ATOM 0 HG LEU A 28 87.147 -4.216 20.553 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.249 -2.825 22.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.750 -3.556 22.924 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.328 -4.244 23.376 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.615 -4.018 20.574 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.722 -5.427 21.656 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.106 -5.623 19.998 1.00 0.00 H new ATOM 449 N PRO A 29 86.746 -9.162 21.171 1.00 0.00 N ATOM 450 CA PRO A 29 86.181 -10.470 21.607 1.00 0.00 C ATOM 451 C PRO A 29 85.627 -10.395 23.045 1.00 0.00 C ATOM 452 O PRO A 29 86.118 -9.637 23.860 1.00 0.00 O ATOM 453 CB PRO A 29 87.376 -11.436 21.519 1.00 0.00 C ATOM 454 CG PRO A 29 88.588 -10.567 21.630 1.00 0.00 C ATOM 455 CD PRO A 29 88.207 -9.226 20.998 1.00 0.00 C ATOM 0 HA PRO A 29 85.339 -10.786 20.991 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.346 -12.175 22.320 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.370 -11.986 20.578 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.881 -10.438 22.672 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.437 -11.014 21.113 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.706 -8.393 21.494 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.488 -9.185 19.946 1.00 0.00 H new ATOM 463 N PRO A 30 84.612 -11.167 23.357 1.00 0.00 N ATOM 464 CA PRO A 30 83.998 -11.162 24.710 1.00 0.00 C ATOM 465 C PRO A 30 85.042 -11.100 25.839 1.00 0.00 C ATOM 466 O PRO A 30 84.743 -10.732 26.958 1.00 0.00 O ATOM 467 CB PRO A 30 83.225 -12.491 24.772 1.00 0.00 C ATOM 468 CG PRO A 30 82.943 -12.882 23.348 1.00 0.00 C ATOM 469 CD PRO A 30 83.941 -12.127 22.454 1.00 0.00 C ATOM 0 HA PRO A 30 83.371 -10.282 24.855 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.811 -13.259 25.277 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.298 -12.376 25.334 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.050 -13.959 23.218 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.918 -12.629 23.077 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.659 -12.810 22.000 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.431 -11.613 21.640 1.00 0.00 H new ATOM 477 N VAL A 31 86.256 -11.477 25.560 1.00 0.00 N ATOM 478 CA VAL A 31 87.303 -11.467 26.617 1.00 0.00 C ATOM 479 C VAL A 31 87.479 -10.064 27.186 1.00 0.00 C ATOM 480 O VAL A 31 87.404 -9.856 28.378 1.00 0.00 O ATOM 481 CB VAL A 31 88.624 -11.931 25.994 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.736 -11.988 27.050 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.426 -13.316 25.385 1.00 0.00 C ATOM 0 H VAL A 31 86.570 -11.793 24.642 1.00 0.00 H new ATOM 0 HA VAL A 31 87.005 -12.133 27.427 1.00 0.00 H new ATOM 0 HB VAL A 31 88.920 -11.219 25.223 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.664 -12.320 26.584 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.880 -10.997 27.480 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.455 -12.688 27.837 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.361 -13.654 24.939 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.121 -14.015 26.163 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.654 -13.269 24.617 1.00 0.00 H new ATOM 493 N VAL A 32 87.721 -9.102 26.354 1.00 0.00 N ATOM 494 CA VAL A 32 87.908 -7.730 26.880 1.00 0.00 C ATOM 495 C VAL A 32 86.590 -7.249 27.477 1.00 0.00 C ATOM 496 O VAL A 32 86.555 -6.654 28.537 1.00 0.00 O ATOM 497 CB VAL A 32 88.356 -6.808 25.746 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.414 -5.360 26.240 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.745 -7.247 25.286 1.00 0.00 C ATOM 0 H VAL A 32 87.797 -9.202 25.342 1.00 0.00 H new ATOM 0 HA VAL A 32 88.674 -7.722 27.655 1.00 0.00 H new ATOM 0 HB VAL A 32 87.648 -6.868 24.920 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.734 -4.710 25.425 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.426 -5.053 26.583 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.123 -5.285 27.064 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.082 -6.600 24.476 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.443 -7.178 26.120 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.703 -8.277 24.933 1.00 0.00 H new ATOM 509 N ALA A 33 85.502 -7.518 26.814 1.00 0.00 N ATOM 510 CA ALA A 33 84.184 -7.092 27.352 1.00 0.00 C ATOM 511 C ALA A 33 83.917 -7.787 28.692 1.00 0.00 C ATOM 512 O ALA A 33 83.535 -7.154 29.660 1.00 0.00 O ATOM 513 CB ALA A 33 83.079 -7.442 26.353 1.00 0.00 C ATOM 0 H ALA A 33 85.469 -8.014 25.923 1.00 0.00 H new ATOM 0 HA ALA A 33 84.194 -6.013 27.509 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.115 -7.128 26.752 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.266 -6.929 25.409 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.068 -8.519 26.185 1.00 0.00 H new ATOM 519 N LYS A 34 84.112 -9.079 28.766 1.00 0.00 N ATOM 520 CA LYS A 34 83.865 -9.792 30.056 1.00 0.00 C ATOM 521 C LYS A 34 84.847 -9.302 31.121 1.00 0.00 C ATOM 522 O LYS A 34 84.496 -9.137 32.274 1.00 0.00 O ATOM 523 CB LYS A 34 83.999 -11.303 29.857 1.00 0.00 C ATOM 524 CG LYS A 34 82.810 -11.810 29.032 1.00 0.00 C ATOM 525 CD LYS A 34 82.926 -13.323 28.819 1.00 0.00 C ATOM 526 CE LYS A 34 81.708 -13.832 28.033 1.00 0.00 C ATOM 527 NZ LYS A 34 80.575 -14.054 28.971 1.00 0.00 N ATOM 0 H LYS A 34 84.429 -9.667 27.996 1.00 0.00 H new ATOM 0 HA LYS A 34 82.851 -9.577 30.392 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.935 -11.533 29.348 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.029 -11.808 30.823 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.876 -11.577 29.544 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.781 -11.300 28.069 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.843 -13.554 28.277 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.988 -13.831 29.781 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.426 -13.108 27.269 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.955 -14.760 27.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.749 -14.399 28.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.848 -14.760 29.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.335 -13.159 29.443 1.00 0.00 H new ATOM 541 N GLU A 35 86.080 -9.087 30.760 1.00 0.00 N ATOM 542 CA GLU A 35 87.067 -8.621 31.775 1.00 0.00 C ATOM 543 C GLU A 35 86.599 -7.281 32.355 1.00 0.00 C ATOM 544 O GLU A 35 86.706 -7.040 33.540 1.00 0.00 O ATOM 545 CB GLU A 35 88.435 -8.444 31.111 1.00 0.00 C ATOM 546 CG GLU A 35 89.523 -8.269 32.182 1.00 0.00 C ATOM 547 CD GLU A 35 89.474 -6.843 32.732 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.371 -5.924 31.935 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.534 -6.689 33.941 1.00 0.00 O ATOM 0 H GLU A 35 86.446 -9.212 29.816 1.00 0.00 H new ATOM 0 HA GLU A 35 87.147 -9.357 32.575 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.661 -9.311 30.490 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.419 -7.575 30.453 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.373 -8.986 32.989 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.505 -8.471 31.754 1.00 0.00 H new ATOM 556 N ILE A 36 86.092 -6.403 31.529 1.00 0.00 N ATOM 557 CA ILE A 36 85.620 -5.082 32.041 1.00 0.00 C ATOM 558 C ILE A 36 84.466 -5.289 33.021 1.00 0.00 C ATOM 559 O ILE A 36 84.385 -4.646 34.049 1.00 0.00 O ATOM 560 CB ILE A 36 85.159 -4.223 30.866 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.381 -3.835 30.028 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.468 -2.958 31.387 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.928 -3.302 28.672 1.00 0.00 C ATOM 0 H ILE A 36 85.985 -6.543 30.524 1.00 0.00 H new ATOM 0 HA ILE A 36 86.436 -4.578 32.560 1.00 0.00 H new ATOM 0 HB ILE A 36 84.453 -4.784 30.254 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.966 -3.078 30.550 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.029 -4.700 29.891 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.141 -2.349 30.544 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.604 -3.237 31.990 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.167 -2.387 31.998 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.800 -3.027 28.079 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.362 -4.073 28.149 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.298 -2.425 28.818 1.00 0.00 H new ATOM 575 N VAL A 37 83.584 -6.194 32.716 1.00 0.00 N ATOM 576 CA VAL A 37 82.441 -6.463 33.630 1.00 0.00 C ATOM 577 C VAL A 37 82.986 -6.985 34.961 1.00 0.00 C ATOM 578 O VAL A 37 82.508 -6.637 36.025 1.00 0.00 O ATOM 579 CB VAL A 37 81.535 -7.524 32.987 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.493 -8.010 33.998 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.822 -6.907 31.775 1.00 0.00 C ATOM 0 H VAL A 37 83.604 -6.763 31.869 1.00 0.00 H new ATOM 0 HA VAL A 37 81.869 -5.552 33.804 1.00 0.00 H new ATOM 0 HB VAL A 37 82.142 -8.372 32.670 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.856 -8.762 33.531 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.998 -8.446 34.860 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.882 -7.168 34.324 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.177 -7.654 31.313 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.220 -6.059 32.100 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.563 -6.569 31.050 1.00 0.00 H new ATOM 591 N ALA A 38 83.988 -7.812 34.899 1.00 0.00 N ATOM 592 CA ALA A 38 84.599 -8.375 36.134 1.00 0.00 C ATOM 593 C ALA A 38 85.319 -7.264 36.898 1.00 0.00 C ATOM 594 O ALA A 38 85.432 -7.301 38.109 1.00 0.00 O ATOM 595 CB ALA A 38 85.609 -9.455 35.744 1.00 0.00 C ATOM 0 H ALA A 38 84.418 -8.128 34.030 1.00 0.00 H new ATOM 0 HA ALA A 38 83.821 -8.805 36.765 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.061 -9.872 36.644 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.101 -10.246 35.193 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.386 -9.017 35.117 1.00 0.00 H new ATOM 601 N SER A 39 85.819 -6.282 36.200 1.00 0.00 N ATOM 602 CA SER A 39 86.534 -5.178 36.891 1.00 0.00 C ATOM 603 C SER A 39 85.521 -4.324 37.654 1.00 0.00 C ATOM 604 O SER A 39 85.769 -3.897 38.760 1.00 0.00 O ATOM 605 CB SER A 39 87.270 -4.323 35.858 1.00 0.00 C ATOM 606 OG SER A 39 88.341 -5.077 35.304 1.00 0.00 O ATOM 0 H SER A 39 85.763 -6.198 35.185 1.00 0.00 H new ATOM 0 HA SER A 39 87.260 -5.588 37.593 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.584 -4.011 35.071 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.652 -3.415 36.325 1.00 0.00 H new ATOM 0 HG SER A 39 87.989 -5.707 34.641 1.00 0.00 H new ATOM 612 N CYS A 40 84.370 -4.095 37.081 1.00 0.00 N ATOM 613 CA CYS A 40 83.340 -3.291 37.792 1.00 0.00 C ATOM 614 C CYS A 40 82.733 -4.138 38.914 1.00 0.00 C ATOM 615 O CYS A 40 82.050 -5.113 38.671 1.00 0.00 O ATOM 616 CB CYS A 40 82.239 -2.880 36.812 1.00 0.00 C ATOM 617 SG CYS A 40 81.214 -1.584 37.550 1.00 0.00 S ATOM 0 H CYS A 40 84.101 -4.429 36.156 1.00 0.00 H new ATOM 0 HA CYS A 40 83.800 -2.396 38.211 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.682 -2.521 35.883 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.624 -3.743 36.559 1.00 0.00 H new ATOM 622 N ASP A 41 82.992 -3.782 40.141 1.00 0.00 N ATOM 623 CA ASP A 41 82.449 -4.563 41.288 1.00 0.00 C ATOM 624 C ASP A 41 80.920 -4.558 41.256 1.00 0.00 C ATOM 625 O ASP A 41 80.277 -5.542 41.560 1.00 0.00 O ATOM 626 CB ASP A 41 82.934 -3.940 42.593 1.00 0.00 C ATOM 627 CG ASP A 41 84.405 -4.293 42.805 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.754 -5.437 42.582 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.159 -3.414 43.189 1.00 0.00 O ATOM 0 H ASP A 41 83.561 -2.977 40.401 1.00 0.00 H new ATOM 0 HA ASP A 41 82.798 -5.593 41.217 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.809 -2.858 42.561 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.336 -4.306 43.428 1.00 0.00 H new ATOM 634 N LYS A 42 80.336 -3.441 40.929 1.00 0.00 N ATOM 635 CA LYS A 42 78.846 -3.345 40.916 1.00 0.00 C ATOM 636 C LYS A 42 78.253 -4.358 39.929 1.00 0.00 C ATOM 637 O LYS A 42 77.243 -4.977 40.201 1.00 0.00 O ATOM 638 CB LYS A 42 78.439 -1.923 40.503 1.00 0.00 C ATOM 639 CG LYS A 42 78.793 -0.934 41.620 1.00 0.00 C ATOM 640 CD LYS A 42 78.387 0.484 41.204 1.00 0.00 C ATOM 641 CE LYS A 42 78.741 1.463 42.329 1.00 0.00 C ATOM 642 NZ LYS A 42 78.561 2.864 41.853 1.00 0.00 N ATOM 0 H LYS A 42 80.826 -2.585 40.669 1.00 0.00 H new ATOM 0 HA LYS A 42 78.464 -3.567 41.913 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.949 -1.642 39.582 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.369 -1.886 40.299 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.282 -1.213 42.541 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.863 -0.971 41.825 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.901 0.767 40.285 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.318 0.522 40.996 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.107 1.279 43.196 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.771 1.307 42.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.802 3.525 42.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.184 3.037 41.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.571 3.010 41.569 1.00 0.00 H new ATOM 656 N CYS A 43 78.865 -4.540 38.788 1.00 0.00 N ATOM 657 CA CYS A 43 78.317 -5.514 37.799 1.00 0.00 C ATOM 658 C CYS A 43 78.645 -6.945 38.242 1.00 0.00 C ATOM 659 O CYS A 43 77.909 -7.872 37.974 1.00 0.00 O ATOM 660 CB CYS A 43 78.962 -5.283 36.431 1.00 0.00 C ATOM 661 SG CYS A 43 78.702 -3.575 35.900 1.00 0.00 S ATOM 0 H CYS A 43 79.717 -4.059 38.499 1.00 0.00 H new ATOM 0 HA CYS A 43 77.238 -5.375 37.737 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.030 -5.497 36.483 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.535 -5.968 35.699 1.00 0.00 H new ATOM 666 N GLN A 44 79.763 -7.131 38.889 1.00 0.00 N ATOM 667 CA GLN A 44 80.156 -8.507 39.314 1.00 0.00 C ATOM 668 C GLN A 44 79.313 -8.960 40.506 1.00 0.00 C ATOM 669 O GLN A 44 78.423 -9.779 40.371 1.00 0.00 O ATOM 670 CB GLN A 44 81.638 -8.516 39.699 1.00 0.00 C ATOM 671 CG GLN A 44 82.066 -9.939 40.070 1.00 0.00 C ATOM 672 CD GLN A 44 83.567 -9.959 40.364 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.374 -9.260 39.608 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.011 -10.615 41.287 1.00 0.00 N ATOM 0 H GLN A 44 80.420 -6.393 39.142 1.00 0.00 H new ATOM 0 HA GLN A 44 79.986 -9.195 38.485 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.242 -8.149 38.869 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.809 -7.843 40.539 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.509 -10.282 40.942 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.835 -10.624 39.254 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.380 -11.159 41.875 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.014 -10.621 41.473 1.00 0.00 H new ATOM 683 N LEU A 45 79.596 -8.455 41.674 1.00 0.00 N ATOM 684 CA LEU A 45 78.819 -8.876 42.876 1.00 0.00 C ATOM 685 C LEU A 45 77.423 -8.262 42.826 1.00 0.00 C ATOM 686 O LEU A 45 77.258 -7.080 42.587 1.00 0.00 O ATOM 687 CB LEU A 45 79.526 -8.399 44.151 1.00 0.00 C ATOM 688 CG LEU A 45 80.974 -8.901 44.179 1.00 0.00 C ATOM 689 CD1 LEU A 45 81.649 -8.415 45.470 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.001 -10.436 44.130 1.00 0.00 C ATOM 0 H LEU A 45 80.331 -7.770 41.850 1.00 0.00 H new ATOM 0 HA LEU A 45 78.746 -9.964 42.884 1.00 0.00 H new ATOM 0 HB2 LEU A 45 79.511 -7.310 44.197 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.991 -8.763 45.029 1.00 0.00 H new ATOM 0 HG LEU A 45 81.508 -8.511 43.313 1.00 0.00 H new ATOM 0 HD11 LEU A 45 82.680 -8.768 45.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 81.638 -7.325 45.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 81.109 -8.806 46.332 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.034 -10.783 44.150 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.467 -10.837 44.991 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.521 -10.779 43.213 1.00 0.00 H new ATOM 702 N LYS A 46 76.414 -9.051 43.066 1.00 0.00 N ATOM 703 CA LYS A 46 75.020 -8.524 43.051 1.00 0.00 C ATOM 704 C LYS A 46 74.660 -8.023 44.451 1.00 0.00 C ATOM 705 O LYS A 46 73.730 -7.260 44.631 1.00 0.00 O ATOM 706 CB LYS A 46 74.070 -9.655 42.634 1.00 0.00 C ATOM 707 CG LYS A 46 72.609 -9.180 42.635 1.00 0.00 C ATOM 708 CD LYS A 46 72.427 -8.027 41.639 1.00 0.00 C ATOM 709 CE LYS A 46 70.948 -7.877 41.281 1.00 0.00 C ATOM 710 NZ LYS A 46 70.498 -9.080 40.525 1.00 0.00 N ATOM 0 H LYS A 46 76.495 -10.046 43.274 1.00 0.00 H new ATOM 0 HA LYS A 46 74.932 -7.699 42.344 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.339 -10.012 41.640 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.182 -10.498 43.316 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.950 -10.007 42.370 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.325 -8.854 43.636 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.801 -7.099 42.071 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.011 -8.217 40.738 1.00 0.00 H new ATOM 0 HE2 LYS A 46 70.353 -7.759 42.187 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.797 -6.979 40.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.126 -8.789 39.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.302 -9.725 40.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 69.751 -9.567 41.060 1.00 0.00 H new ATOM 724 N GLY A 47 75.389 -8.449 45.445 1.00 0.00 N ATOM 725 CA GLY A 47 75.091 -8.001 46.836 1.00 0.00 C ATOM 726 C GLY A 47 75.660 -9.010 47.828 1.00 0.00 C ATOM 727 O GLY A 47 75.796 -10.182 47.531 1.00 0.00 O ATOM 0 H GLY A 47 76.179 -9.088 45.355 1.00 0.00 H new ATOM 0 HA2 GLY A 47 75.524 -7.017 47.013 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.014 -7.905 46.976 1.00 0.00 H new ATOM 731 N GLU A 48 75.994 -8.568 49.010 1.00 0.00 N ATOM 732 CA GLU A 48 76.553 -9.495 50.036 1.00 0.00 C ATOM 733 C GLU A 48 75.405 -10.107 50.844 1.00 0.00 C ATOM 734 O GLU A 48 74.511 -9.417 51.290 1.00 0.00 O ATOM 735 CB GLU A 48 77.493 -8.715 50.961 1.00 0.00 C ATOM 736 CG GLU A 48 78.764 -8.337 50.193 1.00 0.00 C ATOM 737 CD GLU A 48 79.583 -9.599 49.926 1.00 0.00 C ATOM 738 OE1 GLU A 48 79.792 -10.348 50.863 1.00 0.00 O ATOM 739 OE2 GLU A 48 79.982 -9.802 48.794 1.00 0.00 O ATOM 0 H GLU A 48 75.903 -7.598 49.311 1.00 0.00 H new ATOM 0 HA GLU A 48 77.112 -10.295 49.551 1.00 0.00 H new ATOM 0 HB2 GLU A 48 76.997 -7.817 51.329 1.00 0.00 H new ATOM 0 HB3 GLU A 48 77.747 -9.319 51.832 1.00 0.00 H new ATOM 0 HG2 GLU A 48 78.504 -7.852 49.252 1.00 0.00 H new ATOM 0 HG3 GLU A 48 79.352 -7.622 50.769 1.00 0.00 H new ATOM 746 N ALA A 49 75.411 -11.404 51.020 1.00 0.00 N ATOM 747 CA ALA A 49 74.313 -12.066 51.789 1.00 0.00 C ATOM 748 C ALA A 49 74.657 -12.054 53.280 1.00 0.00 C ATOM 749 O ALA A 49 75.810 -11.995 53.658 1.00 0.00 O ATOM 750 CB ALA A 49 74.145 -13.510 51.309 1.00 0.00 C ATOM 0 H ALA A 49 76.130 -12.034 50.664 1.00 0.00 H new ATOM 0 HA ALA A 49 73.380 -11.525 51.628 1.00 0.00 H new ATOM 0 HB1 ALA A 49 73.344 -13.990 51.872 1.00 0.00 H new ATOM 0 HB2 ALA A 49 73.896 -13.514 50.248 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.075 -14.056 51.465 1.00 0.00 H new ATOM 756 N MET A 50 73.670 -12.101 54.134 1.00 0.00 N ATOM 757 CA MET A 50 73.965 -12.089 55.592 1.00 0.00 C ATOM 758 C MET A 50 72.780 -12.657 56.380 1.00 0.00 C ATOM 759 O MET A 50 72.825 -12.764 57.588 1.00 0.00 O ATOM 760 CB MET A 50 74.251 -10.653 56.028 1.00 0.00 C ATOM 761 CG MET A 50 73.029 -9.775 55.771 1.00 0.00 C ATOM 762 SD MET A 50 73.476 -8.052 56.100 1.00 0.00 S ATOM 763 CE MET A 50 71.942 -7.299 55.503 1.00 0.00 C ATOM 0 H MET A 50 72.682 -12.147 53.886 1.00 0.00 H new ATOM 0 HA MET A 50 74.836 -12.712 55.792 1.00 0.00 H new ATOM 0 HB2 MET A 50 74.509 -10.630 57.087 1.00 0.00 H new ATOM 0 HB3 MET A 50 75.110 -10.263 55.482 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.692 -9.888 54.741 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.202 -10.080 56.412 1.00 0.00 H new ATOM 0 HE1 MET A 50 72.001 -6.216 55.615 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.800 -7.548 54.451 1.00 0.00 H new ATOM 0 HE3 MET A 50 71.101 -7.678 56.083 1.00 0.00 H new ATOM 773 N HIS A 51 71.723 -13.028 55.701 1.00 0.00 N ATOM 774 CA HIS A 51 70.523 -13.599 56.398 1.00 0.00 C ATOM 775 C HIS A 51 70.063 -14.866 55.669 1.00 0.00 C ATOM 776 O HIS A 51 70.003 -14.905 54.455 1.00 0.00 O ATOM 777 CB HIS A 51 69.391 -12.576 56.368 1.00 0.00 C ATOM 778 CG HIS A 51 68.178 -13.164 57.024 1.00 0.00 C ATOM 779 ND1 HIS A 51 68.179 -13.561 58.353 1.00 0.00 N ATOM 780 CD2 HIS A 51 66.924 -13.449 56.545 1.00 0.00 C ATOM 781 CE1 HIS A 51 66.957 -14.060 58.625 1.00 0.00 C ATOM 782 NE2 HIS A 51 66.159 -14.013 57.558 1.00 0.00 N ATOM 0 H HIS A 51 71.637 -12.960 54.687 1.00 0.00 H new ATOM 0 HA HIS A 51 70.783 -13.840 57.429 1.00 0.00 H new ATOM 0 HB2 HIS A 51 69.694 -11.666 56.885 1.00 0.00 H new ATOM 0 HB3 HIS A 51 69.164 -12.297 55.339 1.00 0.00 H new ATOM 0 HD2 HIS A 51 66.584 -13.264 55.537 1.00 0.00 H new ATOM 0 HE1 HIS A 51 66.661 -14.450 59.588 1.00 0.00 H new ATOM 0 HE2 HIS A 51 65.190 -14.326 57.498 1.00 0.00 H new ATOM 790 N GLY A 52 69.728 -15.902 56.397 1.00 0.00 N ATOM 791 CA GLY A 52 69.266 -17.160 55.738 1.00 0.00 C ATOM 792 C GLY A 52 68.696 -18.108 56.795 1.00 0.00 C ATOM 793 O GLY A 52 67.713 -17.806 57.438 1.00 0.00 O ATOM 0 H GLY A 52 69.755 -15.930 57.416 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.507 -16.934 54.989 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.096 -17.636 55.216 1.00 0.00 H new ATOM 797 N GLN A 53 69.305 -19.248 56.989 1.00 0.00 N ATOM 798 CA GLN A 53 68.784 -20.198 58.019 1.00 0.00 C ATOM 799 C GLN A 53 69.124 -19.674 59.418 1.00 0.00 C ATOM 800 O GLN A 53 70.099 -18.974 59.611 1.00 0.00 O ATOM 801 CB GLN A 53 69.415 -21.582 57.836 1.00 0.00 C ATOM 802 CG GLN A 53 68.987 -22.194 56.497 1.00 0.00 C ATOM 803 CD GLN A 53 67.481 -22.474 56.510 1.00 0.00 C ATOM 804 OE1 GLN A 53 66.837 -22.446 55.479 1.00 0.00 O ATOM 805 NE2 GLN A 53 66.888 -22.743 57.638 1.00 0.00 N ATOM 0 H GLN A 53 70.134 -19.562 56.484 1.00 0.00 H new ATOM 0 HA GLN A 53 67.703 -20.280 57.904 1.00 0.00 H new ATOM 0 HB2 GLN A 53 70.501 -21.501 57.875 1.00 0.00 H new ATOM 0 HB3 GLN A 53 69.115 -22.236 58.654 1.00 0.00 H new ATOM 0 HG2 GLN A 53 69.232 -21.514 55.681 1.00 0.00 H new ATOM 0 HG3 GLN A 53 69.536 -23.118 56.317 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.426 -22.767 58.504 1.00 0.00 H new ATOM 0 HE22 GLN A 53 65.885 -22.930 57.655 1.00 0.00 H new ATOM 814 N VAL A 54 68.324 -20.015 60.395 1.00 0.00 N ATOM 815 CA VAL A 54 68.578 -19.547 61.795 1.00 0.00 C ATOM 816 C VAL A 54 69.416 -20.594 62.532 1.00 0.00 C ATOM 817 O VAL A 54 69.672 -20.490 63.713 1.00 0.00 O ATOM 818 CB VAL A 54 67.232 -19.329 62.511 1.00 0.00 C ATOM 819 CG1 VAL A 54 66.385 -20.610 62.462 1.00 0.00 C ATOM 820 CG2 VAL A 54 67.473 -18.924 63.973 1.00 0.00 C ATOM 0 H VAL A 54 67.498 -20.603 60.284 1.00 0.00 H new ATOM 0 HA VAL A 54 69.125 -18.604 61.782 1.00 0.00 H new ATOM 0 HB VAL A 54 66.694 -18.530 62.000 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.437 -20.439 62.972 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.194 -20.881 61.423 1.00 0.00 H new ATOM 0 HG13 VAL A 54 66.922 -21.420 62.955 1.00 0.00 H new ATOM 0 HG21 VAL A 54 66.515 -18.772 64.471 1.00 0.00 H new ATOM 0 HG22 VAL A 54 68.026 -19.713 64.483 1.00 0.00 H new ATOM 0 HG23 VAL A 54 68.049 -17.999 64.004 1.00 0.00 H new ATOM 830 N ASP A 55 69.855 -21.597 61.831 1.00 0.00 N ATOM 831 CA ASP A 55 70.690 -22.658 62.470 1.00 0.00 C ATOM 832 C ASP A 55 72.161 -22.231 62.444 1.00 0.00 C ATOM 833 O ASP A 55 72.785 -22.277 63.491 1.00 0.00 O ATOM 834 CB ASP A 55 70.516 -23.964 61.686 1.00 0.00 C ATOM 835 CG ASP A 55 71.152 -25.125 62.458 1.00 0.00 C ATOM 836 OD1 ASP A 55 72.276 -24.972 62.906 1.00 0.00 O ATOM 837 OD2 ASP A 55 70.503 -26.148 62.582 1.00 0.00 O ATOM 838 OXT ASP A 55 72.634 -21.858 61.384 1.00 0.00 O ATOM 0 H ASP A 55 69.673 -21.732 60.837 1.00 0.00 H new ATOM 0 HA ASP A 55 70.379 -22.806 63.504 1.00 0.00 H new ATOM 0 HB2 ASP A 55 69.457 -24.162 61.523 1.00 0.00 H new ATOM 0 HB3 ASP A 55 70.979 -23.873 60.703 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.945 -13.868 21.892 1.00 0.00 N ATOM 845 CA PHE B 1 92.806 -13.646 22.822 1.00 0.00 C ATOM 846 C PHE B 1 92.232 -14.998 23.273 1.00 0.00 C ATOM 847 O PHE B 1 92.627 -15.549 24.280 1.00 0.00 O ATOM 848 CB PHE B 1 91.718 -12.854 22.092 1.00 0.00 C ATOM 849 CG PHE B 1 92.129 -11.405 21.961 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.845 -10.497 22.990 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.790 -10.966 20.805 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.219 -9.153 22.863 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.163 -9.620 20.677 1.00 0.00 C ATOM 854 CZ PHE B 1 92.877 -8.714 21.705 1.00 0.00 C ATOM 0 H1 PHE B 1 94.005 -13.076 21.221 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.830 -13.929 22.435 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.798 -14.755 21.369 1.00 0.00 H new ATOM 0 HA PHE B 1 93.150 -13.093 23.696 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.547 -13.282 21.104 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.777 -12.925 22.638 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.337 -10.834 23.882 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.012 -11.665 20.012 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.000 -8.455 23.657 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.671 -9.283 19.785 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.163 -7.677 21.606 1.00 0.00 H new ATOM 866 N LEU B 2 91.287 -15.518 22.536 1.00 0.00 N ATOM 867 CA LEU B 2 90.668 -16.823 22.913 1.00 0.00 C ATOM 868 C LEU B 2 91.721 -17.934 22.916 1.00 0.00 C ATOM 869 O LEU B 2 91.715 -18.804 23.766 1.00 0.00 O ATOM 870 CB LEU B 2 89.592 -17.184 21.882 1.00 0.00 C ATOM 871 CG LEU B 2 88.493 -16.115 21.848 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.495 -16.456 20.735 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.760 -16.065 23.200 1.00 0.00 C ATOM 0 H LEU B 2 90.916 -15.094 21.686 1.00 0.00 H new ATOM 0 HA LEU B 2 90.235 -16.729 23.909 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.044 -17.279 20.895 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.157 -18.153 22.127 1.00 0.00 H new ATOM 0 HG LEU B 2 88.944 -15.141 21.656 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.711 -15.700 20.705 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.013 -16.479 19.776 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.051 -17.432 20.931 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.982 -15.302 23.164 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.308 -17.035 23.405 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.470 -15.822 23.990 1.00 0.00 H new ATOM 885 N ASP B 3 92.597 -17.935 21.954 1.00 0.00 N ATOM 886 CA ASP B 3 93.628 -19.010 21.879 1.00 0.00 C ATOM 887 C ASP B 3 94.497 -19.015 23.135 1.00 0.00 C ATOM 888 O ASP B 3 94.813 -20.053 23.679 1.00 0.00 O ATOM 889 CB ASP B 3 94.521 -18.780 20.667 1.00 0.00 C ATOM 890 CG ASP B 3 95.556 -19.901 20.598 1.00 0.00 C ATOM 891 OD1 ASP B 3 96.523 -19.834 21.333 1.00 0.00 O ATOM 892 OD2 ASP B 3 95.358 -20.813 19.815 1.00 0.00 O ATOM 0 H ASP B 3 92.646 -17.236 21.212 1.00 0.00 H new ATOM 0 HA ASP B 3 93.116 -19.968 21.794 1.00 0.00 H new ATOM 0 HB2 ASP B 3 93.923 -18.762 19.756 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.017 -17.812 20.742 1.00 0.00 H new ATOM 897 N GLY B 4 94.890 -17.865 23.593 1.00 0.00 N ATOM 898 CA GLY B 4 95.738 -17.804 24.813 1.00 0.00 C ATOM 899 C GLY B 4 94.942 -18.333 26.006 1.00 0.00 C ATOM 900 O GLY B 4 95.485 -18.943 26.908 1.00 0.00 O ATOM 0 H GLY B 4 94.662 -16.962 23.176 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.642 -18.397 24.672 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.056 -16.778 24.999 1.00 0.00 H new ATOM 904 N ILE B 5 93.659 -18.099 26.021 1.00 0.00 N ATOM 905 CA ILE B 5 92.832 -18.581 27.161 1.00 0.00 C ATOM 906 C ILE B 5 92.817 -20.114 27.193 1.00 0.00 C ATOM 907 O ILE B 5 92.894 -20.714 28.245 1.00 0.00 O ATOM 908 CB ILE B 5 91.400 -18.030 27.015 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.386 -16.545 27.403 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.437 -18.806 27.920 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.063 -15.899 26.979 1.00 0.00 C ATOM 0 H ILE B 5 93.149 -17.596 25.295 1.00 0.00 H new ATOM 0 HA ILE B 5 93.260 -18.226 28.098 1.00 0.00 H new ATOM 0 HB ILE B 5 91.078 -18.144 25.980 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.521 -16.442 28.480 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.220 -16.029 26.927 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.429 -18.406 27.807 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.443 -19.859 27.640 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.753 -18.705 28.958 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.066 -14.846 27.260 1.00 0.00 H new ATOM 0 HD12 ILE B 5 89.945 -15.986 25.899 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.235 -16.405 27.476 1.00 0.00 H new ATOM 923 N ASP B 6 92.723 -20.761 26.066 1.00 0.00 N ATOM 924 CA ASP B 6 92.698 -22.257 26.078 1.00 0.00 C ATOM 925 C ASP B 6 93.988 -22.794 26.699 1.00 0.00 C ATOM 926 O ASP B 6 93.956 -23.624 27.584 1.00 0.00 O ATOM 927 CB ASP B 6 92.579 -22.776 24.642 1.00 0.00 C ATOM 928 CG ASP B 6 92.533 -24.306 24.641 1.00 0.00 C ATOM 929 OD1 ASP B 6 92.606 -24.883 25.713 1.00 0.00 O ATOM 930 OD2 ASP B 6 92.421 -24.876 23.570 1.00 0.00 O ATOM 0 H ASP B 6 92.663 -20.328 25.144 1.00 0.00 H new ATOM 0 HA ASP B 6 91.845 -22.595 26.666 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.678 -22.377 24.176 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.426 -22.429 24.050 1.00 0.00 H new ATOM 935 N LYS B 7 95.119 -22.322 26.260 1.00 0.00 N ATOM 936 CA LYS B 7 96.401 -22.813 26.847 1.00 0.00 C ATOM 937 C LYS B 7 96.495 -22.393 28.312 1.00 0.00 C ATOM 938 O LYS B 7 96.932 -23.146 29.158 1.00 0.00 O ATOM 939 CB LYS B 7 97.571 -22.207 26.074 1.00 0.00 C ATOM 940 CG LYS B 7 97.631 -22.820 24.675 1.00 0.00 C ATOM 941 CD LYS B 7 98.784 -22.187 23.897 1.00 0.00 C ATOM 942 CE LYS B 7 98.832 -22.774 22.487 1.00 0.00 C ATOM 943 NZ LYS B 7 99.836 -22.027 21.681 1.00 0.00 N ATOM 0 H LYS B 7 95.215 -21.622 25.525 1.00 0.00 H new ATOM 0 HA LYS B 7 96.435 -23.901 26.781 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.453 -21.126 26.004 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.505 -22.392 26.604 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.772 -23.899 24.744 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.689 -22.654 24.152 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.653 -21.106 23.848 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.727 -22.371 24.411 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.095 -23.831 22.529 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.850 -22.708 22.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.873 -22.422 20.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.566 -21.024 21.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.772 -22.112 22.127 1.00 0.00 H new ATOM 957 N ALA B 8 96.086 -21.196 28.610 1.00 0.00 N ATOM 958 CA ALA B 8 96.139 -20.700 30.011 1.00 0.00 C ATOM 959 C ALA B 8 95.102 -21.427 30.881 1.00 0.00 C ATOM 960 O ALA B 8 95.277 -21.579 32.076 1.00 0.00 O ATOM 961 CB ALA B 8 95.852 -19.197 30.024 1.00 0.00 C ATOM 0 H ALA B 8 95.712 -20.530 27.934 1.00 0.00 H new ATOM 0 HA ALA B 8 97.132 -20.894 30.417 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.890 -18.828 31.049 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.600 -18.679 29.424 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.862 -19.012 29.608 1.00 0.00 H new ATOM 967 N GLN B 9 94.009 -21.849 30.296 1.00 0.00 N ATOM 968 CA GLN B 9 92.946 -22.538 31.094 1.00 0.00 C ATOM 969 C GLN B 9 93.476 -23.872 31.630 1.00 0.00 C ATOM 970 O GLN B 9 94.150 -24.610 30.940 1.00 0.00 O ATOM 971 CB GLN B 9 91.728 -22.795 30.201 1.00 0.00 C ATOM 972 CG GLN B 9 90.544 -23.249 31.059 1.00 0.00 C ATOM 973 CD GLN B 9 89.313 -23.438 30.167 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.347 -23.124 28.997 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.221 -23.949 30.674 1.00 0.00 N ATOM 0 H GLN B 9 93.806 -21.747 29.302 1.00 0.00 H new ATOM 0 HA GLN B 9 92.660 -21.904 31.934 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.467 -21.888 29.656 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.964 -23.557 29.458 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.786 -24.183 31.567 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.336 -22.510 31.833 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.191 -24.214 31.659 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.399 -24.083 30.085 1.00 0.00 H new ATOM 984 N GLU B 10 93.170 -24.186 32.864 1.00 0.00 N ATOM 985 CA GLU B 10 93.650 -25.468 33.452 1.00 0.00 C ATOM 986 C GLU B 10 92.883 -25.762 34.745 1.00 0.00 C ATOM 987 O GLU B 10 91.986 -25.035 35.124 1.00 0.00 O ATOM 988 CB GLU B 10 95.149 -25.353 33.739 1.00 0.00 C ATOM 989 CG GLU B 10 95.407 -24.214 34.728 1.00 0.00 C ATOM 990 CD GLU B 10 96.909 -24.114 34.995 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.587 -23.494 34.201 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.354 -24.669 35.986 1.00 0.00 O ATOM 0 H GLU B 10 92.608 -23.607 33.488 1.00 0.00 H new ATOM 0 HA GLU B 10 93.478 -26.286 32.752 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.522 -26.292 34.148 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.692 -25.170 32.812 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.033 -23.273 34.324 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.871 -24.396 35.659 1.00 0.00 H new ATOM 999 N GLU B 11 93.226 -26.827 35.422 1.00 0.00 N ATOM 1000 CA GLU B 11 92.514 -27.172 36.691 1.00 0.00 C ATOM 1001 C GLU B 11 92.730 -26.051 37.715 1.00 0.00 C ATOM 1002 O GLU B 11 93.737 -25.369 37.706 1.00 0.00 O ATOM 1003 CB GLU B 11 93.063 -28.500 37.238 1.00 0.00 C ATOM 1004 CG GLU B 11 92.686 -29.639 36.283 1.00 0.00 C ATOM 1005 CD GLU B 11 91.173 -29.859 36.312 1.00 0.00 C ATOM 1006 OE1 GLU B 11 90.654 -30.129 37.382 1.00 0.00 O ATOM 1007 OE2 GLU B 11 90.560 -29.758 35.263 1.00 0.00 O ATOM 0 H GLU B 11 93.968 -27.473 35.152 1.00 0.00 H new ATOM 0 HA GLU B 11 91.446 -27.279 36.499 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.146 -28.443 37.343 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.656 -28.693 38.231 1.00 0.00 H new ATOM 0 HG2 GLU B 11 93.008 -29.398 35.270 1.00 0.00 H new ATOM 0 HG3 GLU B 11 93.202 -30.555 36.573 1.00 0.00 H new ATOM 1014 N HIS B 12 91.780 -25.853 38.587 1.00 0.00 N ATOM 1015 CA HIS B 12 91.901 -24.778 39.612 1.00 0.00 C ATOM 1016 C HIS B 12 93.049 -25.121 40.559 1.00 0.00 C ATOM 1017 O HIS B 12 92.843 -25.588 41.661 1.00 0.00 O ATOM 1018 CB HIS B 12 90.582 -24.697 40.383 1.00 0.00 C ATOM 1019 CG HIS B 12 90.722 -23.767 41.556 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.561 -22.396 41.443 1.00 0.00 N ATOM 1021 CD2 HIS B 12 90.975 -24.007 42.883 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.714 -21.866 42.675 1.00 0.00 C ATOM 1023 NE2 HIS B 12 90.966 -22.808 43.585 1.00 0.00 N ATOM 0 H HIS B 12 90.917 -26.395 38.634 1.00 0.00 H new ATOM 0 HA HIS B 12 92.107 -23.816 39.142 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.788 -24.346 39.724 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.293 -25.689 40.729 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.154 -24.980 43.316 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.641 -20.811 42.896 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.120 -22.676 44.585 1.00 0.00 H new ATOM 1031 N GLU B 13 94.262 -24.902 40.126 1.00 0.00 N ATOM 1032 CA GLU B 13 95.444 -25.220 40.982 1.00 0.00 C ATOM 1033 C GLU B 13 95.920 -23.951 41.695 1.00 0.00 C ATOM 1034 O GLU B 13 95.229 -22.950 41.740 1.00 0.00 O ATOM 1035 CB GLU B 13 96.577 -25.762 40.104 1.00 0.00 C ATOM 1036 CG GLU B 13 96.138 -27.063 39.424 1.00 0.00 C ATOM 1037 CD GLU B 13 96.046 -28.183 40.464 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.978 -28.323 41.243 1.00 0.00 O ATOM 1039 OE2 GLU B 13 95.046 -28.885 40.457 1.00 0.00 O ATOM 0 H GLU B 13 94.487 -24.514 39.210 1.00 0.00 H new ATOM 0 HA GLU B 13 95.162 -25.969 41.723 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.850 -25.023 39.351 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.464 -25.941 40.711 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.172 -26.923 38.939 1.00 0.00 H new ATOM 0 HG3 GLU B 13 96.849 -27.335 38.644 1.00 0.00 H new ATOM 1046 N LYS B 14 97.102 -23.990 42.243 1.00 0.00 N ATOM 1047 CA LYS B 14 97.655 -22.804 42.960 1.00 0.00 C ATOM 1048 C LYS B 14 97.960 -21.699 41.950 1.00 0.00 C ATOM 1049 O LYS B 14 97.934 -20.528 42.269 1.00 0.00 O ATOM 1050 CB LYS B 14 98.950 -23.211 43.676 1.00 0.00 C ATOM 1051 CG LYS B 14 98.609 -24.150 44.841 1.00 0.00 C ATOM 1052 CD LYS B 14 99.892 -24.622 45.547 1.00 0.00 C ATOM 1053 CE LYS B 14 100.368 -23.563 46.550 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.282 -23.286 47.532 1.00 0.00 N ATOM 0 H LYS B 14 97.717 -24.803 42.225 1.00 0.00 H new ATOM 0 HA LYS B 14 96.929 -22.441 43.688 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.625 -23.708 42.979 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.469 -22.326 44.046 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.963 -23.636 45.553 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.053 -25.011 44.471 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.706 -25.564 46.063 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.672 -24.811 44.810 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.261 -23.913 47.068 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.642 -22.647 46.026 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.690 -23.193 48.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.798 -22.402 47.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.598 -24.070 47.524 1.00 0.00 H new ATOM 1068 N TYR B 15 98.250 -22.061 40.732 1.00 0.00 N ATOM 1069 CA TYR B 15 98.555 -21.031 39.706 1.00 0.00 C ATOM 1070 C TYR B 15 97.363 -20.084 39.576 1.00 0.00 C ATOM 1071 O TYR B 15 97.523 -18.906 39.330 1.00 0.00 O ATOM 1072 CB TYR B 15 98.829 -21.708 38.360 1.00 0.00 C ATOM 1073 CG TYR B 15 100.236 -22.259 38.349 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.487 -23.538 38.859 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.286 -21.493 37.827 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.790 -24.053 38.845 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.588 -22.004 37.815 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.842 -23.284 38.323 1.00 0.00 C ATOM 1079 OH TYR B 15 104.125 -23.789 38.306 1.00 0.00 O ATOM 0 H TYR B 15 98.289 -23.026 40.404 1.00 0.00 H new ATOM 0 HA TYR B 15 99.438 -20.466 40.005 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.111 -22.511 38.192 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.701 -20.992 37.548 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.677 -24.127 39.263 1.00 0.00 H new ATOM 0 HD2 TYR B 15 101.090 -20.507 37.433 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.985 -25.041 39.236 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.397 -21.412 37.414 1.00 0.00 H new ATOM 0 HH TYR B 15 104.731 -23.128 37.910 1.00 0.00 H new ATOM 1089 N HIS B 16 96.169 -20.571 39.740 1.00 0.00 N ATOM 1090 CA HIS B 16 94.997 -19.664 39.624 1.00 0.00 C ATOM 1091 C HIS B 16 95.134 -18.555 40.667 1.00 0.00 C ATOM 1092 O HIS B 16 94.842 -17.407 40.404 1.00 0.00 O ATOM 1093 CB HIS B 16 93.695 -20.440 39.859 1.00 0.00 C ATOM 1094 CG HIS B 16 93.305 -21.181 38.610 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.992 -21.569 38.353 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.033 -21.579 37.516 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.976 -22.165 37.145 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.194 -22.197 36.600 1.00 0.00 N ATOM 0 H HIS B 16 95.954 -21.546 39.947 1.00 0.00 H new ATOM 0 HA HIS B 16 94.965 -19.236 38.622 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.824 -21.142 40.683 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.900 -19.753 40.147 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.095 -21.433 37.388 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.089 -22.566 36.677 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.454 -22.594 35.697 1.00 0.00 H new ATOM 1106 N SER B 17 95.565 -18.882 41.855 1.00 0.00 N ATOM 1107 CA SER B 17 95.716 -17.830 42.895 1.00 0.00 C ATOM 1108 C SER B 17 96.708 -16.766 42.419 1.00 0.00 C ATOM 1109 O SER B 17 96.474 -15.581 42.570 1.00 0.00 O ATOM 1110 CB SER B 17 96.239 -18.463 44.183 1.00 0.00 C ATOM 1111 OG SER B 17 97.600 -18.825 44.001 1.00 0.00 O ATOM 0 H SER B 17 95.817 -19.826 42.147 1.00 0.00 H new ATOM 0 HA SER B 17 94.747 -17.365 43.077 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.144 -17.762 45.013 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.647 -19.342 44.438 1.00 0.00 H new ATOM 0 HG SER B 17 97.653 -19.753 43.691 1.00 0.00 H new ATOM 1117 N ASN B 18 97.816 -17.166 41.846 1.00 0.00 N ATOM 1118 CA ASN B 18 98.817 -16.160 41.367 1.00 0.00 C ATOM 1119 C ASN B 18 98.559 -15.841 39.895 1.00 0.00 C ATOM 1120 O ASN B 18 99.068 -16.502 39.009 1.00 0.00 O ATOM 1121 CB ASN B 18 100.224 -16.736 41.526 1.00 0.00 C ATOM 1122 CG ASN B 18 100.465 -17.046 43.002 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.763 -18.168 43.362 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.342 -16.088 43.877 1.00 0.00 N ATOM 0 H ASN B 18 98.071 -18.141 41.689 1.00 0.00 H new ATOM 0 HA ASN B 18 98.726 -15.246 41.954 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.331 -17.641 40.928 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.966 -16.025 41.164 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.496 -16.279 44.867 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.092 -15.147 43.572 1.00 0.00 H new ATOM 1131 N TRP B 19 97.781 -14.837 39.621 1.00 0.00 N ATOM 1132 CA TRP B 19 97.506 -14.486 38.203 1.00 0.00 C ATOM 1133 C TRP B 19 98.752 -13.858 37.563 1.00 0.00 C ATOM 1134 O TRP B 19 98.951 -13.936 36.370 1.00 0.00 O ATOM 1135 CB TRP B 19 96.316 -13.533 38.124 1.00 0.00 C ATOM 1136 CG TRP B 19 96.664 -12.207 38.721 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.311 -11.798 39.960 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.410 -11.105 38.125 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.783 -10.512 40.160 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.469 -10.042 39.057 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.036 -10.925 36.875 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.119 -8.843 38.761 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.694 -9.720 36.576 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.734 -8.681 37.515 1.00 0.00 C ATOM 0 H TRP B 19 97.324 -14.245 40.314 1.00 0.00 H new ATOM 0 HA TRP B 19 97.259 -15.393 37.651 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.016 -13.402 37.084 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.464 -13.962 38.650 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.752 -12.380 40.677 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.642 -9.977 41.017 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.010 -11.718 36.142 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.147 -8.046 39.489 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.172 -9.594 35.616 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.239 -7.756 37.277 1.00 0.00 H new ATOM 1155 N ARG B 20 99.594 -13.241 38.349 1.00 0.00 N ATOM 1156 CA ARG B 20 100.820 -12.611 37.780 1.00 0.00 C ATOM 1157 C ARG B 20 101.683 -13.685 37.117 1.00 0.00 C ATOM 1158 O ARG B 20 102.262 -13.471 36.069 1.00 0.00 O ATOM 1159 CB ARG B 20 101.617 -11.933 38.899 1.00 0.00 C ATOM 1160 CG ARG B 20 100.848 -10.701 39.374 1.00 0.00 C ATOM 1161 CD ARG B 20 101.635 -9.997 40.473 1.00 0.00 C ATOM 1162 NE ARG B 20 102.962 -9.581 39.936 1.00 0.00 N ATOM 1163 CZ ARG B 20 103.698 -8.740 40.605 1.00 0.00 C ATOM 1164 NH1 ARG B 20 103.263 -8.255 41.735 1.00 0.00 N ATOM 1165 NH2 ARG B 20 104.865 -8.382 40.148 1.00 0.00 N ATOM 0 H ARG B 20 99.486 -13.146 39.359 1.00 0.00 H new ATOM 0 HA ARG B 20 100.533 -11.865 37.039 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.769 -12.625 39.727 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.605 -11.646 38.538 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.681 -10.020 38.539 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.867 -10.994 39.747 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.085 -9.127 40.830 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.767 -10.663 41.326 1.00 0.00 H new ATOM 0 HE ARG B 20 103.293 -9.954 39.046 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.349 -8.535 42.092 1.00 0.00 H new ATOM 0 HH12 ARG B 20 103.837 -7.596 42.262 1.00 0.00 H new ATOM 0 HH21 ARG B 20 105.205 -8.761 39.264 1.00 0.00 H new ATOM 0 HH22 ARG B 20 105.439 -7.723 40.675 1.00 0.00 H new ATOM 1179 N ALA B 21 101.777 -14.838 37.714 1.00 0.00 N ATOM 1180 CA ALA B 21 102.602 -15.924 37.114 1.00 0.00 C ATOM 1181 C ALA B 21 102.029 -16.313 35.747 1.00 0.00 C ATOM 1182 O ALA B 21 102.756 -16.553 34.808 1.00 0.00 O ATOM 1183 CB ALA B 21 102.586 -17.146 38.040 1.00 0.00 C ATOM 0 H ALA B 21 101.318 -15.077 38.593 1.00 0.00 H new ATOM 0 HA ALA B 21 103.626 -15.573 36.989 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.189 -17.942 37.603 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.997 -16.872 39.012 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.561 -17.495 38.165 1.00 0.00 H new ATOM 1189 N MET B 22 100.734 -16.381 35.634 1.00 0.00 N ATOM 1190 CA MET B 22 100.115 -16.759 34.333 1.00 0.00 C ATOM 1191 C MET B 22 100.463 -15.721 33.266 1.00 0.00 C ATOM 1192 O MET B 22 100.790 -16.056 32.143 1.00 0.00 O ATOM 1193 CB MET B 22 98.597 -16.810 34.501 1.00 0.00 C ATOM 1194 CG MET B 22 97.967 -17.503 33.291 1.00 0.00 C ATOM 1195 SD MET B 22 96.199 -17.123 33.233 1.00 0.00 S ATOM 1196 CE MET B 22 95.778 -17.769 34.866 1.00 0.00 C ATOM 0 H MET B 22 100.074 -16.191 36.388 1.00 0.00 H new ATOM 0 HA MET B 22 100.494 -17.733 34.024 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.340 -17.347 35.414 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.199 -15.800 34.602 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.452 -17.169 32.374 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.117 -18.581 33.357 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.710 -17.984 34.908 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.340 -18.684 35.051 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.029 -17.029 35.626 1.00 0.00 H new ATOM 1206 N ALA B 23 100.386 -14.464 33.598 1.00 0.00 N ATOM 1207 CA ALA B 23 100.700 -13.409 32.593 1.00 0.00 C ATOM 1208 C ALA B 23 102.161 -13.532 32.154 1.00 0.00 C ATOM 1209 O ALA B 23 102.485 -13.422 30.988 1.00 0.00 O ATOM 1210 CB ALA B 23 100.468 -12.034 33.221 1.00 0.00 C ATOM 0 H ALA B 23 100.120 -14.120 34.521 1.00 0.00 H new ATOM 0 HA ALA B 23 100.054 -13.530 31.723 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.696 -11.257 32.491 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.427 -11.946 33.531 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.116 -11.917 34.090 1.00 0.00 H new ATOM 1216 N SER B 24 103.041 -13.772 33.089 1.00 0.00 N ATOM 1217 CA SER B 24 104.487 -13.909 32.746 1.00 0.00 C ATOM 1218 C SER B 24 104.716 -15.193 31.947 1.00 0.00 C ATOM 1219 O SER B 24 105.502 -15.227 31.022 1.00 0.00 O ATOM 1220 CB SER B 24 105.311 -13.967 34.035 1.00 0.00 C ATOM 1221 OG SER B 24 106.688 -14.104 33.712 1.00 0.00 O ATOM 0 H SER B 24 102.820 -13.879 34.079 1.00 0.00 H new ATOM 0 HA SER B 24 104.794 -13.052 32.147 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.152 -13.062 34.621 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.986 -14.806 34.650 1.00 0.00 H new ATOM 0 HG SER B 24 107.216 -14.140 34.537 1.00 0.00 H new ATOM 1227 N ASP B 25 104.053 -16.255 32.307 1.00 0.00 N ATOM 1228 CA ASP B 25 104.252 -17.539 31.582 1.00 0.00 C ATOM 1229 C ASP B 25 103.851 -17.371 30.120 1.00 0.00 C ATOM 1230 O ASP B 25 104.501 -17.877 29.224 1.00 0.00 O ATOM 1231 CB ASP B 25 103.382 -18.623 32.221 1.00 0.00 C ATOM 1232 CG ASP B 25 103.645 -19.966 31.535 1.00 0.00 C ATOM 1233 OD1 ASP B 25 104.272 -19.959 30.489 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.220 -20.978 32.074 1.00 0.00 O ATOM 0 H ASP B 25 103.381 -16.289 33.073 1.00 0.00 H new ATOM 0 HA ASP B 25 105.302 -17.827 31.640 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.602 -18.698 33.286 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.329 -18.358 32.131 1.00 0.00 H new ATOM 1239 N PHE B 26 102.773 -16.673 29.874 1.00 0.00 N ATOM 1240 CA PHE B 26 102.295 -16.468 28.473 1.00 0.00 C ATOM 1241 C PHE B 26 102.607 -15.042 28.012 1.00 0.00 C ATOM 1242 O PHE B 26 102.269 -14.652 26.913 1.00 0.00 O ATOM 1243 CB PHE B 26 100.787 -16.713 28.423 1.00 0.00 C ATOM 1244 CG PHE B 26 100.515 -18.176 28.692 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.612 -19.094 27.644 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.181 -18.616 29.982 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.371 -20.451 27.876 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.942 -19.978 30.213 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.037 -20.895 29.159 1.00 0.00 C ATOM 0 H PHE B 26 102.197 -16.232 30.591 1.00 0.00 H new ATOM 0 HA PHE B 26 102.804 -17.166 27.809 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.281 -16.094 29.163 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.392 -16.430 27.447 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.874 -18.755 26.653 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.108 -17.908 30.794 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.443 -21.158 27.063 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.684 -20.320 31.204 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.852 -21.944 29.337 1.00 0.00 H new ATOM 1259 N ASN B 27 103.260 -14.265 28.829 1.00 0.00 N ATOM 1260 CA ASN B 27 103.598 -12.870 28.416 1.00 0.00 C ATOM 1261 C ASN B 27 102.334 -12.137 27.945 1.00 0.00 C ATOM 1262 O ASN B 27 102.343 -11.470 26.927 1.00 0.00 O ATOM 1263 CB ASN B 27 104.625 -12.894 27.278 1.00 0.00 C ATOM 1264 CG ASN B 27 105.954 -13.462 27.785 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.642 -14.159 27.064 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.352 -13.192 28.995 1.00 0.00 N ATOM 0 H ASN B 27 103.574 -14.532 29.762 1.00 0.00 H new ATOM 0 HA ASN B 27 104.020 -12.346 29.274 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.252 -13.501 26.453 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.775 -11.886 26.891 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.238 -13.565 29.335 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.777 -12.608 29.602 1.00 0.00 H new ATOM 1273 N LEU B 28 101.256 -12.237 28.684 1.00 0.00 N ATOM 1274 CA LEU B 28 99.986 -11.532 28.302 1.00 0.00 C ATOM 1275 C LEU B 28 99.678 -10.496 29.388 1.00 0.00 C ATOM 1276 O LEU B 28 100.038 -10.684 30.535 1.00 0.00 O ATOM 1277 CB LEU B 28 98.836 -12.539 28.246 1.00 0.00 C ATOM 1278 CG LEU B 28 99.077 -13.575 27.148 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.109 -14.739 27.353 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.848 -12.958 25.757 1.00 0.00 C ATOM 0 H LEU B 28 101.199 -12.782 29.544 1.00 0.00 H new ATOM 0 HA LEU B 28 100.099 -11.057 27.327 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.737 -13.039 29.209 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.898 -12.017 28.060 1.00 0.00 H new ATOM 0 HG LEU B 28 100.109 -13.923 27.205 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.269 -15.487 26.576 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.282 -15.189 28.331 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.084 -14.373 27.298 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.025 -13.713 24.991 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.821 -12.599 25.683 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.535 -12.125 25.611 1.00 0.00 H new ATOM 1292 N PRO B 29 99.031 -9.405 29.049 1.00 0.00 N ATOM 1293 CA PRO B 29 98.703 -8.348 30.044 1.00 0.00 C ATOM 1294 C PRO B 29 97.684 -8.842 31.089 1.00 0.00 C ATOM 1295 O PRO B 29 96.828 -9.649 30.785 1.00 0.00 O ATOM 1296 CB PRO B 29 98.115 -7.208 29.195 1.00 0.00 C ATOM 1297 CG PRO B 29 97.602 -7.875 27.963 1.00 0.00 C ATOM 1298 CD PRO B 29 98.545 -9.051 27.702 1.00 0.00 C ATOM 0 HA PRO B 29 99.576 -8.041 30.619 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.316 -6.691 29.726 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.873 -6.462 28.955 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.577 -8.219 28.103 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.594 -7.185 27.119 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.026 -9.885 27.230 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.364 -8.770 27.040 1.00 0.00 H new ATOM 1306 N PRO B 30 97.780 -8.374 32.312 1.00 0.00 N ATOM 1307 CA PRO B 30 96.856 -8.795 33.397 1.00 0.00 C ATOM 1308 C PRO B 30 95.407 -8.937 32.908 1.00 0.00 C ATOM 1309 O PRO B 30 94.595 -9.592 33.525 1.00 0.00 O ATOM 1310 CB PRO B 30 96.962 -7.657 34.425 1.00 0.00 C ATOM 1311 CG PRO B 30 98.303 -7.013 34.205 1.00 0.00 C ATOM 1312 CD PRO B 30 98.772 -7.394 32.791 1.00 0.00 C ATOM 0 HA PRO B 30 97.122 -9.774 33.796 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.157 -6.935 34.290 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.878 -8.042 35.441 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.230 -5.930 34.306 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.020 -7.355 34.952 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.811 -6.521 32.139 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.774 -7.823 32.810 1.00 0.00 H new ATOM 1320 N VAL B 31 95.075 -8.304 31.818 1.00 0.00 N ATOM 1321 CA VAL B 31 93.678 -8.372 31.311 1.00 0.00 C ATOM 1322 C VAL B 31 93.283 -9.823 31.058 1.00 0.00 C ATOM 1323 O VAL B 31 92.300 -10.309 31.581 1.00 0.00 O ATOM 1324 CB VAL B 31 93.581 -7.564 30.010 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.152 -7.593 29.457 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.984 -6.116 30.285 1.00 0.00 C ATOM 0 H VAL B 31 95.713 -7.741 31.255 1.00 0.00 H new ATOM 0 HA VAL B 31 92.998 -7.954 32.053 1.00 0.00 H new ATOM 0 HB VAL B 31 94.250 -8.008 29.273 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.107 -7.014 28.535 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.862 -8.624 29.253 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.470 -7.162 30.190 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.917 -5.538 29.363 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.315 -5.688 31.032 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.008 -6.088 30.657 1.00 0.00 H new ATOM 1336 N VAL B 32 94.032 -10.522 30.266 1.00 0.00 N ATOM 1337 CA VAL B 32 93.674 -11.933 29.989 1.00 0.00 C ATOM 1338 C VAL B 32 93.798 -12.745 31.276 1.00 0.00 C ATOM 1339 O VAL B 32 92.974 -13.586 31.576 1.00 0.00 O ATOM 1340 CB VAL B 32 94.618 -12.499 28.925 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.366 -14.000 28.754 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.359 -11.783 27.598 1.00 0.00 C ATOM 0 H VAL B 32 94.873 -10.182 29.800 1.00 0.00 H new ATOM 0 HA VAL B 32 92.649 -11.988 29.624 1.00 0.00 H new ATOM 0 HB VAL B 32 95.652 -12.344 29.234 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.040 -14.398 27.996 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.544 -14.509 29.701 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.334 -14.163 28.443 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.027 -12.180 26.834 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.325 -11.943 27.294 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.540 -10.715 27.719 1.00 0.00 H new ATOM 1352 N ALA B 33 94.823 -12.508 32.040 1.00 0.00 N ATOM 1353 CA ALA B 33 94.990 -13.275 33.304 1.00 0.00 C ATOM 1354 C ALA B 33 93.825 -12.968 34.255 1.00 0.00 C ATOM 1355 O ALA B 33 93.237 -13.862 34.829 1.00 0.00 O ATOM 1356 CB ALA B 33 96.329 -12.907 33.952 1.00 0.00 C ATOM 0 H ALA B 33 95.550 -11.820 31.847 1.00 0.00 H new ATOM 0 HA ALA B 33 94.987 -14.343 33.088 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.452 -13.469 34.878 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.143 -13.151 33.269 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.346 -11.839 34.170 1.00 0.00 H new ATOM 1362 N LYS B 34 93.478 -11.719 34.425 1.00 0.00 N ATOM 1363 CA LYS B 34 92.343 -11.377 35.327 1.00 0.00 C ATOM 1364 C LYS B 34 91.031 -11.929 34.756 1.00 0.00 C ATOM 1365 O LYS B 34 90.178 -12.394 35.482 1.00 0.00 O ATOM 1366 CB LYS B 34 92.253 -9.859 35.510 1.00 0.00 C ATOM 1367 CG LYS B 34 93.445 -9.378 36.349 1.00 0.00 C ATOM 1368 CD LYS B 34 93.369 -7.857 36.537 1.00 0.00 C ATOM 1369 CE LYS B 34 94.525 -7.385 37.427 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.147 -7.591 38.850 1.00 0.00 N ATOM 0 H LYS B 34 93.932 -10.923 33.978 1.00 0.00 H new ATOM 0 HA LYS B 34 92.516 -11.833 36.302 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.253 -9.363 34.539 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.317 -9.595 36.002 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.442 -9.874 37.320 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.380 -9.646 35.857 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.417 -7.359 35.569 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.415 -7.584 36.989 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.433 -7.941 37.193 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.739 -6.332 37.242 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.924 -7.274 39.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.290 -7.042 39.064 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.963 -8.601 39.018 1.00 0.00 H new ATOM 1384 N GLU B 35 90.849 -11.861 33.466 1.00 0.00 N ATOM 1385 CA GLU B 35 89.583 -12.374 32.869 1.00 0.00 C ATOM 1386 C GLU B 35 89.455 -13.868 33.180 1.00 0.00 C ATOM 1387 O GLU B 35 88.391 -14.357 33.501 1.00 0.00 O ATOM 1388 CB GLU B 35 89.601 -12.159 31.350 1.00 0.00 C ATOM 1389 CG GLU B 35 88.202 -12.412 30.758 1.00 0.00 C ATOM 1390 CD GLU B 35 87.949 -13.918 30.669 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.822 -14.615 30.180 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.886 -14.347 31.093 1.00 0.00 O ATOM 0 H GLU B 35 91.519 -11.474 32.801 1.00 0.00 H new ATOM 0 HA GLU B 35 88.734 -11.837 33.291 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.921 -11.142 31.124 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.325 -12.831 30.889 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.442 -11.941 31.381 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.127 -11.961 29.768 1.00 0.00 H new ATOM 1399 N ILE B 36 90.538 -14.598 33.093 1.00 0.00 N ATOM 1400 CA ILE B 36 90.468 -16.055 33.387 1.00 0.00 C ATOM 1401 C ILE B 36 90.072 -16.259 34.853 1.00 0.00 C ATOM 1402 O ILE B 36 89.282 -17.122 35.182 1.00 0.00 O ATOM 1403 CB ILE B 36 91.840 -16.678 33.124 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.117 -16.657 31.617 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.856 -18.126 33.625 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.596 -16.942 31.371 1.00 0.00 C ATOM 0 H ILE B 36 91.460 -14.248 32.833 1.00 0.00 H new ATOM 0 HA ILE B 36 89.723 -16.531 32.749 1.00 0.00 H new ATOM 0 HB ILE B 36 92.606 -16.109 33.650 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.503 -17.403 31.112 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.848 -15.687 31.200 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.835 -18.566 33.436 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.652 -18.143 34.696 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.093 -18.701 33.101 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.796 -16.928 30.300 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.200 -16.180 31.863 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.850 -17.922 31.774 1.00 0.00 H new ATOM 1418 N VAL B 37 90.611 -15.462 35.732 1.00 0.00 N ATOM 1419 CA VAL B 37 90.272 -15.581 37.178 1.00 0.00 C ATOM 1420 C VAL B 37 88.782 -15.298 37.358 1.00 0.00 C ATOM 1421 O VAL B 37 88.099 -15.940 38.132 1.00 0.00 O ATOM 1422 CB VAL B 37 91.107 -14.569 37.974 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.605 -14.491 39.422 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.572 -15.018 37.960 1.00 0.00 C ATOM 0 H VAL B 37 91.279 -14.725 35.508 1.00 0.00 H new ATOM 0 HA VAL B 37 90.493 -16.585 37.541 1.00 0.00 H new ATOM 0 HB VAL B 37 91.014 -13.583 37.519 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.205 -13.770 39.977 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.561 -14.176 39.429 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.691 -15.471 39.890 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.176 -14.306 38.523 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.655 -16.005 38.416 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.929 -15.063 36.931 1.00 0.00 H new ATOM 1434 N ALA B 38 88.284 -14.331 36.648 1.00 0.00 N ATOM 1435 CA ALA B 38 86.842 -13.977 36.756 1.00 0.00 C ATOM 1436 C ALA B 38 85.994 -15.105 36.170 1.00 0.00 C ATOM 1437 O ALA B 38 84.873 -15.331 36.581 1.00 0.00 O ATOM 1438 CB ALA B 38 86.588 -12.700 35.962 1.00 0.00 C ATOM 0 H ALA B 38 88.818 -13.763 35.990 1.00 0.00 H new ATOM 0 HA ALA B 38 86.577 -13.828 37.803 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.534 -12.431 36.034 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.197 -11.892 36.367 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.850 -12.863 34.917 1.00 0.00 H new ATOM 1444 N SER B 39 86.518 -15.805 35.204 1.00 0.00 N ATOM 1445 CA SER B 39 85.744 -16.910 34.574 1.00 0.00 C ATOM 1446 C SER B 39 85.645 -18.080 35.551 1.00 0.00 C ATOM 1447 O SER B 39 84.615 -18.714 35.669 1.00 0.00 O ATOM 1448 CB SER B 39 86.452 -17.358 33.297 1.00 0.00 C ATOM 1449 OG SER B 39 86.296 -16.357 32.296 1.00 0.00 O ATOM 0 H SER B 39 87.452 -15.659 34.822 1.00 0.00 H new ATOM 0 HA SER B 39 84.741 -16.564 34.326 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.510 -17.529 33.495 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.036 -18.304 32.950 1.00 0.00 H new ATOM 0 HG SER B 39 87.067 -15.753 32.314 1.00 0.00 H new ATOM 1455 N CYS B 40 86.698 -18.367 36.264 1.00 0.00 N ATOM 1456 CA CYS B 40 86.641 -19.493 37.239 1.00 0.00 C ATOM 1457 C CYS B 40 85.802 -19.050 38.443 1.00 0.00 C ATOM 1458 O CYS B 40 86.192 -18.183 39.198 1.00 0.00 O ATOM 1459 CB CYS B 40 88.052 -19.859 37.713 1.00 0.00 C ATOM 1460 SG CYS B 40 88.022 -21.473 38.535 1.00 0.00 S ATOM 0 H CYS B 40 87.590 -17.875 36.215 1.00 0.00 H new ATOM 0 HA CYS B 40 86.195 -20.366 36.762 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.736 -19.885 36.864 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.424 -19.098 38.399 1.00 0.00 H new ATOM 1465 N ASP B 41 84.646 -19.623 38.610 1.00 0.00 N ATOM 1466 CA ASP B 41 83.762 -19.236 39.750 1.00 0.00 C ATOM 1467 C ASP B 41 84.466 -19.489 41.083 1.00 0.00 C ATOM 1468 O ASP B 41 84.334 -18.731 42.025 1.00 0.00 O ATOM 1469 CB ASP B 41 82.476 -20.060 39.697 1.00 0.00 C ATOM 1470 CG ASP B 41 81.570 -19.523 38.589 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.404 -18.317 38.517 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.064 -20.328 37.826 1.00 0.00 O ATOM 0 H ASP B 41 84.269 -20.350 38.002 1.00 0.00 H new ATOM 0 HA ASP B 41 83.530 -18.174 39.668 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.711 -21.108 39.513 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.962 -20.012 40.657 1.00 0.00 H new ATOM 1477 N LYS B 42 85.177 -20.576 41.185 1.00 0.00 N ATOM 1478 CA LYS B 42 85.856 -20.910 42.469 1.00 0.00 C ATOM 1479 C LYS B 42 86.851 -19.799 42.852 1.00 0.00 C ATOM 1480 O LYS B 42 86.976 -19.449 44.010 1.00 0.00 O ATOM 1481 CB LYS B 42 86.599 -22.243 42.318 1.00 0.00 C ATOM 1482 CG LYS B 42 85.591 -23.391 42.195 1.00 0.00 C ATOM 1483 CD LYS B 42 86.342 -24.719 42.045 1.00 0.00 C ATOM 1484 CE LYS B 42 85.329 -25.862 41.922 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.024 -27.132 41.551 1.00 0.00 N ATOM 0 H LYS B 42 85.318 -21.250 40.433 1.00 0.00 H new ATOM 0 HA LYS B 42 85.108 -20.995 43.257 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.240 -22.214 41.437 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.247 -22.407 43.179 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.950 -23.421 43.076 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.943 -23.229 41.334 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.984 -24.690 41.164 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.990 -24.883 42.906 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.800 -25.991 42.866 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.581 -25.615 41.168 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 85.326 -27.899 41.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.509 -27.009 40.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 86.721 -27.373 42.284 1.00 0.00 H new ATOM 1499 N CYS B 43 87.564 -19.250 41.900 1.00 0.00 N ATOM 1500 CA CYS B 43 88.551 -18.170 42.225 1.00 0.00 C ATOM 1501 C CYS B 43 87.825 -16.849 42.475 1.00 0.00 C ATOM 1502 O CYS B 43 88.264 -16.019 43.248 1.00 0.00 O ATOM 1503 CB CYS B 43 89.492 -17.954 41.042 1.00 0.00 C ATOM 1504 SG CYS B 43 90.355 -19.481 40.649 1.00 0.00 S ATOM 0 H CYS B 43 87.507 -19.501 40.913 1.00 0.00 H new ATOM 0 HA CYS B 43 89.105 -18.476 43.112 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.926 -17.614 40.175 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.212 -17.171 41.279 1.00 0.00 H new ATOM 1509 N GLN B 44 86.731 -16.638 41.797 1.00 0.00 N ATOM 1510 CA GLN B 44 85.989 -15.359 41.959 1.00 0.00 C ATOM 1511 C GLN B 44 85.224 -15.349 43.285 1.00 0.00 C ATOM 1512 O GLN B 44 85.621 -14.697 44.229 1.00 0.00 O ATOM 1513 CB GLN B 44 85.007 -15.190 40.793 1.00 0.00 C ATOM 1514 CG GLN B 44 84.295 -13.842 40.922 1.00 0.00 C ATOM 1515 CD GLN B 44 83.400 -13.602 39.700 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.330 -13.045 39.821 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.796 -13.998 38.520 1.00 0.00 N ATOM 0 H GLN B 44 86.319 -17.298 41.137 1.00 0.00 H new ATOM 0 HA GLN B 44 86.701 -14.534 41.962 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.540 -15.243 39.843 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.278 -16.001 40.796 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.695 -13.824 41.832 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.029 -13.041 41.009 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.696 -14.467 38.415 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.206 -13.838 37.704 1.00 0.00 H new ATOM 1526 N LEU B 45 84.131 -16.054 43.366 1.00 0.00 N ATOM 1527 CA LEU B 45 83.354 -16.058 44.641 1.00 0.00 C ATOM 1528 C LEU B 45 84.098 -16.873 45.709 1.00 0.00 C ATOM 1529 O LEU B 45 84.551 -17.973 45.464 1.00 0.00 O ATOM 1530 CB LEU B 45 81.973 -16.689 44.413 1.00 0.00 C ATOM 1531 CG LEU B 45 81.229 -15.967 43.282 1.00 0.00 C ATOM 1532 CD1 LEU B 45 79.858 -16.626 43.083 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.038 -14.480 43.637 1.00 0.00 C ATOM 0 H LEU B 45 83.743 -16.623 42.614 1.00 0.00 H new ATOM 0 HA LEU B 45 83.238 -15.028 44.978 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.086 -17.744 44.165 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.388 -16.638 45.331 1.00 0.00 H new ATOM 0 HG LEU B 45 81.813 -16.038 42.364 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.323 -16.118 42.280 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.993 -17.675 42.821 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.282 -16.553 44.006 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.509 -13.978 42.827 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.458 -14.397 44.556 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.012 -14.012 43.779 1.00 0.00 H new ATOM 1545 N LYS B 46 84.209 -16.338 46.898 1.00 0.00 N ATOM 1546 CA LYS B 46 84.902 -17.067 48.002 1.00 0.00 C ATOM 1547 C LYS B 46 83.883 -17.931 48.757 1.00 0.00 C ATOM 1548 O LYS B 46 84.238 -18.875 49.435 1.00 0.00 O ATOM 1549 CB LYS B 46 85.510 -16.038 48.965 1.00 0.00 C ATOM 1550 CG LYS B 46 86.229 -16.729 50.136 1.00 0.00 C ATOM 1551 CD LYS B 46 87.375 -17.609 49.617 1.00 0.00 C ATOM 1552 CE LYS B 46 88.357 -17.891 50.755 1.00 0.00 C ATOM 1553 NZ LYS B 46 88.995 -16.615 51.186 1.00 0.00 N ATOM 0 H LYS B 46 83.846 -15.420 47.153 1.00 0.00 H new ATOM 0 HA LYS B 46 85.686 -17.705 47.595 1.00 0.00 H new ATOM 0 HB2 LYS B 46 86.214 -15.403 48.426 1.00 0.00 H new ATOM 0 HB3 LYS B 46 84.724 -15.388 49.350 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.621 -15.979 50.824 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.520 -17.338 50.698 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.979 -18.545 49.224 1.00 0.00 H new ATOM 0 HD3 LYS B 46 87.888 -17.109 48.795 1.00 0.00 H new ATOM 0 HE2 LYS B 46 87.836 -18.351 51.594 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.118 -18.598 50.426 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 89.965 -16.804 51.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 89.022 -15.952 50.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 88.445 -16.197 51.963 1.00 0.00 H new ATOM 1567 N GLY B 47 82.620 -17.618 48.642 1.00 0.00 N ATOM 1568 CA GLY B 47 81.585 -18.422 49.355 1.00 0.00 C ATOM 1569 C GLY B 47 80.296 -17.608 49.499 1.00 0.00 C ATOM 1570 O GLY B 47 80.318 -16.395 49.573 1.00 0.00 O ATOM 0 H GLY B 47 82.261 -16.842 48.086 1.00 0.00 H new ATOM 0 HA2 GLY B 47 81.385 -19.341 48.805 1.00 0.00 H new ATOM 0 HA3 GLY B 47 81.953 -18.713 50.339 1.00 0.00 H new ATOM 1574 N GLU B 48 79.167 -18.269 49.549 1.00 0.00 N ATOM 1575 CA GLU B 48 77.876 -17.541 49.699 1.00 0.00 C ATOM 1576 C GLU B 48 77.590 -17.334 51.185 1.00 0.00 C ATOM 1577 O GLU B 48 77.644 -18.260 51.972 1.00 0.00 O ATOM 1578 CB GLU B 48 76.755 -18.361 49.056 1.00 0.00 C ATOM 1579 CG GLU B 48 76.921 -18.345 47.536 1.00 0.00 C ATOM 1580 CD GLU B 48 76.596 -16.942 47.024 1.00 0.00 C ATOM 1581 OE1 GLU B 48 75.565 -16.422 47.405 1.00 0.00 O ATOM 1582 OE2 GLU B 48 77.387 -16.407 46.272 1.00 0.00 O ATOM 0 H GLU B 48 79.086 -19.284 49.492 1.00 0.00 H new ATOM 0 HA GLU B 48 77.934 -16.571 49.206 1.00 0.00 H new ATOM 0 HB2 GLU B 48 76.782 -19.386 49.425 1.00 0.00 H new ATOM 0 HB3 GLU B 48 75.784 -17.949 49.331 1.00 0.00 H new ATOM 0 HG2 GLU B 48 77.940 -18.620 47.264 1.00 0.00 H new ATOM 0 HG3 GLU B 48 76.259 -19.078 47.076 1.00 0.00 H new ATOM 1589 N ALA B 49 77.290 -16.128 51.577 1.00 0.00 N ATOM 1590 CA ALA B 49 77.002 -15.862 53.015 1.00 0.00 C ATOM 1591 C ALA B 49 75.527 -16.163 53.287 1.00 0.00 C ATOM 1592 O ALA B 49 74.711 -16.150 52.389 1.00 0.00 O ATOM 1593 CB ALA B 49 77.313 -14.394 53.318 1.00 0.00 C ATOM 0 H ALA B 49 77.232 -15.314 50.965 1.00 0.00 H new ATOM 0 HA ALA B 49 77.618 -16.495 53.654 1.00 0.00 H new ATOM 0 HB1 ALA B 49 77.106 -14.187 54.368 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.364 -14.194 53.109 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.691 -13.754 52.693 1.00 0.00 H new ATOM 1599 N MET B 50 75.170 -16.442 54.507 1.00 0.00 N ATOM 1600 CA MET B 50 73.742 -16.739 54.805 1.00 0.00 C ATOM 1601 C MET B 50 73.489 -16.596 56.301 1.00 0.00 C ATOM 1602 O MET B 50 72.407 -16.863 56.787 1.00 0.00 O ATOM 1603 CB MET B 50 73.410 -18.161 54.346 1.00 0.00 C ATOM 1604 CG MET B 50 74.297 -19.171 55.078 1.00 0.00 C ATOM 1605 SD MET B 50 74.072 -20.804 54.329 1.00 0.00 S ATOM 1606 CE MET B 50 75.297 -21.684 55.324 1.00 0.00 C ATOM 0 H MET B 50 75.801 -16.478 55.308 1.00 0.00 H new ATOM 0 HA MET B 50 73.104 -16.035 54.271 1.00 0.00 H new ATOM 0 HB2 MET B 50 72.360 -18.379 54.542 1.00 0.00 H new ATOM 0 HB3 MET B 50 73.558 -18.248 53.270 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.342 -18.869 55.015 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.037 -19.203 56.136 1.00 0.00 H new ATOM 0 HE1 MET B 50 75.326 -22.731 55.023 1.00 0.00 H new ATOM 0 HE2 MET B 50 76.279 -21.236 55.172 1.00 0.00 H new ATOM 0 HE3 MET B 50 75.026 -21.616 56.378 1.00 0.00 H new ATOM 1616 N HIS B 51 74.484 -16.170 57.032 1.00 0.00 N ATOM 1617 CA HIS B 51 74.330 -15.993 58.507 1.00 0.00 C ATOM 1618 C HIS B 51 75.000 -14.686 58.931 1.00 0.00 C ATOM 1619 O HIS B 51 76.074 -14.353 58.471 1.00 0.00 O ATOM 1620 CB HIS B 51 75.002 -17.151 59.234 1.00 0.00 C ATOM 1621 CG HIS B 51 74.851 -16.940 60.711 1.00 0.00 C ATOM 1622 ND1 HIS B 51 73.610 -16.911 61.329 1.00 0.00 N ATOM 1623 CD2 HIS B 51 75.776 -16.716 61.706 1.00 0.00 C ATOM 1624 CE1 HIS B 51 73.816 -16.675 62.640 1.00 0.00 C ATOM 1625 NE2 HIS B 51 75.115 -16.548 62.919 1.00 0.00 N ATOM 0 H HIS B 51 75.407 -15.934 56.667 1.00 0.00 H new ATOM 0 HA HIS B 51 73.270 -15.968 58.758 1.00 0.00 H new ATOM 0 HB2 HIS B 51 74.549 -18.097 58.939 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.057 -17.205 58.965 1.00 0.00 H new ATOM 0 HD2 HIS B 51 76.846 -16.677 61.567 1.00 0.00 H new ATOM 0 HE1 HIS B 51 73.027 -16.598 63.374 1.00 0.00 H new ATOM 0 HE2 HIS B 51 75.535 -16.366 63.830 1.00 0.00 H new ATOM 1633 N GLY B 52 74.383 -13.955 59.817 1.00 0.00 N ATOM 1634 CA GLY B 52 74.990 -12.675 60.288 1.00 0.00 C ATOM 1635 C GLY B 52 74.147 -12.117 61.441 1.00 0.00 C ATOM 1636 O GLY B 52 74.028 -12.725 62.489 1.00 0.00 O ATOM 0 H GLY B 52 73.483 -14.188 60.237 1.00 0.00 H new ATOM 0 HA2 GLY B 52 76.015 -12.844 60.618 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.033 -11.955 59.470 1.00 0.00 H new ATOM 1640 N GLN B 53 73.561 -10.962 61.259 1.00 0.00 N ATOM 1641 CA GLN B 53 72.727 -10.367 62.342 1.00 0.00 C ATOM 1642 C GLN B 53 71.420 -11.162 62.472 1.00 0.00 C ATOM 1643 O GLN B 53 70.962 -11.776 61.531 1.00 0.00 O ATOM 1644 CB GLN B 53 72.409 -8.906 62.003 1.00 0.00 C ATOM 1645 CG GLN B 53 73.702 -8.083 62.007 1.00 0.00 C ATOM 1646 CD GLN B 53 74.285 -8.054 63.421 1.00 0.00 C ATOM 1647 OE1 GLN B 53 75.487 -7.962 63.595 1.00 0.00 O ATOM 1648 NE2 GLN B 53 73.480 -8.138 64.445 1.00 0.00 N ATOM 0 H GLN B 53 73.625 -10.406 60.406 1.00 0.00 H new ATOM 0 HA GLN B 53 73.273 -10.406 63.285 1.00 0.00 H new ATOM 0 HB2 GLN B 53 71.930 -8.845 61.026 1.00 0.00 H new ATOM 0 HB3 GLN B 53 71.705 -8.499 62.729 1.00 0.00 H new ATOM 0 HG2 GLN B 53 74.423 -8.516 61.314 1.00 0.00 H new ATOM 0 HG3 GLN B 53 73.500 -7.068 61.665 1.00 0.00 H new ATOM 0 HE21 GLN B 53 72.474 -8.215 64.298 1.00 0.00 H new ATOM 0 HE22 GLN B 53 73.857 -8.127 65.393 1.00 0.00 H new ATOM 1657 N VAL B 54 70.822 -11.162 63.641 1.00 0.00 N ATOM 1658 CA VAL B 54 69.545 -11.924 63.847 1.00 0.00 C ATOM 1659 C VAL B 54 68.361 -10.978 63.657 1.00 0.00 C ATOM 1660 O VAL B 54 67.218 -11.328 63.878 1.00 0.00 O ATOM 1661 CB VAL B 54 69.531 -12.523 65.264 1.00 0.00 C ATOM 1662 CG1 VAL B 54 69.731 -11.415 66.306 1.00 0.00 C ATOM 1663 CG2 VAL B 54 68.194 -13.246 65.521 1.00 0.00 C ATOM 0 H VAL B 54 71.164 -10.666 64.464 1.00 0.00 H new ATOM 0 HA VAL B 54 69.472 -12.735 63.122 1.00 0.00 H new ATOM 0 HB VAL B 54 70.346 -13.242 65.348 1.00 0.00 H new ATOM 0 HG11 VAL B 54 69.720 -11.849 67.306 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.689 -10.923 66.135 1.00 0.00 H new ATOM 0 HG13 VAL B 54 68.927 -10.684 66.219 1.00 0.00 H new ATOM 0 HG21 VAL B 54 68.195 -13.666 66.527 1.00 0.00 H new ATOM 0 HG22 VAL B 54 67.372 -12.536 65.425 1.00 0.00 H new ATOM 0 HG23 VAL B 54 68.068 -14.048 64.793 1.00 0.00 H new ATOM 1673 N ASP B 55 68.638 -9.777 63.240 1.00 0.00 N ATOM 1674 CA ASP B 55 67.552 -8.780 63.020 1.00 0.00 C ATOM 1675 C ASP B 55 67.002 -8.933 61.599 1.00 0.00 C ATOM 1676 O ASP B 55 65.791 -8.962 61.452 1.00 0.00 O ATOM 1677 CB ASP B 55 68.130 -7.378 63.198 1.00 0.00 C ATOM 1678 CG ASP B 55 67.003 -6.349 63.187 1.00 0.00 C ATOM 1679 OD1 ASP B 55 66.209 -6.382 62.256 1.00 0.00 O ATOM 1680 OD2 ASP B 55 66.957 -5.539 64.103 1.00 0.00 O ATOM 1681 OXT ASP B 55 67.806 -9.026 60.681 1.00 0.00 O ATOM 0 H ASP B 55 69.579 -9.438 63.040 1.00 0.00 H new ATOM 0 HA ASP B 55 66.746 -8.941 63.736 1.00 0.00 H new ATOM 0 HB2 ASP B 55 68.680 -7.318 64.137 1.00 0.00 H new ATOM 0 HB3 ASP B 55 68.839 -7.163 62.399 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.460 -1.501 35.973 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.184 -21.414 39.555 1.00 0.00 ZN