USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -1.74! X(o=-2.3!,f=-2.5) USER MOD Set 1.2: B 44 GLN : amide:sc= -0.603 X(o=-2.3,f=-2.5) USER MOD Single : A 1 PHE N :NH3+ 150:sc= 0.957 (180deg=0.395) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0467 (180deg=-0.509) USER MOD Single : A 15 TYR OH : rot -50:sc= 1.06 USER MOD Single : A 16 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-3) USER MOD Single : A 17 SER OG : rot -1:sc= 0.747! USER MOD Single : A 18 ASN : amide:sc= -0.0482 K(o=-0.048,f=-2.1!) USER MOD Single : A 22 MET CE :methyl -156:sc= -0.158 (180deg=-1.31) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= -0.695 F(o=-3!,f=-0.69) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 114:sc= 0.00287 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.404 (180deg=-1.07) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.591 K(o=0.59,f=-5!) USER MOD Single : A 53 GLN : amide:sc= -0.0388 K(o=-0.039,f=-1.8!) USER MOD Single : B 1 PHE N :NH3+ 137:sc= 1.01 (180deg=0.344) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 14 LYS NZ :NH3+ -160:sc= -0.0542 (180deg=-0.494) USER MOD Single : B 15 TYR OH : rot -50:sc= 1.06 USER MOD Single : B 16 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-3.1) USER MOD Single : B 17 SER OG : rot 6:sc= 0.676! USER MOD Single : B 18 ASN : amide:sc= -0.0446 K(o=-0.045,f=-2!) USER MOD Single : B 22 MET CE :methyl -155:sc= -0.122 (180deg=-1.36) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN :FLIP amide:sc= -0.706 F(o=-2.8,f=-0.71) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 113:sc= 0.00116 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ -159:sc= -0.475 (180deg=-0.978) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HE2:sc= 0.587 K(o=0.59,f=-5!) USER MOD Single : B 53 GLN : amide:sc= -0.0238 K(o=-0.024,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.324 -4.826 23.700 1.00 0.00 N ATOM 2 CA PHE A 1 94.970 -4.075 24.939 1.00 0.00 C ATOM 3 C PHE A 1 95.058 -2.577 24.661 1.00 0.00 C ATOM 4 O PHE A 1 96.128 -2.026 24.494 1.00 0.00 O ATOM 5 CB PHE A 1 95.941 -4.461 26.056 1.00 0.00 C ATOM 6 CG PHE A 1 96.155 -5.958 26.031 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.105 -6.819 26.371 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.398 -6.488 25.655 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.295 -8.204 26.340 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.588 -7.874 25.624 1.00 0.00 C ATOM 11 CZ PHE A 1 96.536 -8.733 25.968 1.00 0.00 C ATOM 0 H1 PHE A 1 95.755 -5.737 23.957 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.465 -4.996 23.140 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.999 -4.270 23.138 1.00 0.00 H new ATOM 0 HA PHE A 1 93.954 -4.322 25.248 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.891 -3.943 25.924 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.543 -4.154 27.023 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.146 -6.413 26.658 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.209 -5.826 25.389 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.483 -8.866 26.603 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.545 -8.282 25.335 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.683 -9.803 25.946 1.00 0.00 H new ATOM 23 N LEU A 2 93.930 -1.918 24.589 1.00 0.00 N ATOM 24 CA LEU A 2 93.919 -0.450 24.296 1.00 0.00 C ATOM 25 C LEU A 2 93.725 0.366 25.566 1.00 0.00 C ATOM 26 O LEU A 2 92.976 0.010 26.448 1.00 0.00 O ATOM 27 CB LEU A 2 92.790 -0.133 23.311 1.00 0.00 C ATOM 28 CG LEU A 2 93.059 -0.817 21.961 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.843 -0.624 21.049 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.311 -0.209 21.293 1.00 0.00 C ATOM 0 H LEU A 2 93.009 -2.336 24.721 1.00 0.00 H new ATOM 0 HA LEU A 2 94.882 -0.183 23.861 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.837 -0.473 23.716 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.710 0.945 23.172 1.00 0.00 H new ATOM 0 HG LEU A 2 93.233 -1.880 22.126 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.028 -1.107 20.089 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.964 -1.068 21.516 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.671 0.441 20.892 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.490 -0.703 20.338 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.153 0.857 21.127 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.175 -0.351 21.942 1.00 0.00 H new ATOM 42 N ASP A 3 94.398 1.481 25.641 1.00 0.00 N ATOM 43 CA ASP A 3 94.267 2.368 26.829 1.00 0.00 C ATOM 44 C ASP A 3 92.808 2.804 26.957 1.00 0.00 C ATOM 45 O ASP A 3 92.281 2.934 28.043 1.00 0.00 O ATOM 46 CB ASP A 3 95.159 3.601 26.659 1.00 0.00 C ATOM 47 CG ASP A 3 96.628 3.189 26.765 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.888 2.128 27.309 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.469 3.941 26.300 1.00 0.00 O ATOM 0 H ASP A 3 95.039 1.818 24.923 1.00 0.00 H new ATOM 0 HA ASP A 3 94.576 1.831 27.726 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.971 4.068 25.692 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.922 4.342 27.423 1.00 0.00 H new ATOM 54 N GLY A 4 92.144 3.018 25.850 1.00 0.00 N ATOM 55 CA GLY A 4 90.710 3.431 25.907 1.00 0.00 C ATOM 56 C GLY A 4 89.954 2.483 26.843 1.00 0.00 C ATOM 57 O GLY A 4 88.827 2.730 27.224 1.00 0.00 O ATOM 0 H GLY A 4 92.532 2.925 24.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.628 4.457 26.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.271 3.405 24.910 1.00 0.00 H new ATOM 61 N ILE A 5 90.583 1.406 27.228 1.00 0.00 N ATOM 62 CA ILE A 5 89.938 0.436 28.153 1.00 0.00 C ATOM 63 C ILE A 5 89.596 1.151 29.467 1.00 0.00 C ATOM 64 O ILE A 5 88.548 0.944 30.043 1.00 0.00 O ATOM 65 CB ILE A 5 90.919 -0.729 28.388 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.869 -1.678 27.181 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.560 -1.495 29.670 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.047 -2.660 27.221 1.00 0.00 C ATOM 0 H ILE A 5 91.528 1.156 26.936 1.00 0.00 H new ATOM 0 HA ILE A 5 89.014 0.041 27.731 1.00 0.00 H new ATOM 0 HB ILE A 5 91.926 -0.327 28.503 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.928 -2.229 27.183 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.899 -1.102 26.256 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.266 -2.313 29.815 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.608 -0.819 30.523 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.551 -1.898 29.583 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.996 -3.325 26.359 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.985 -2.105 27.196 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.999 -3.249 28.137 1.00 0.00 H new ATOM 80 N ASP A 6 90.467 2.000 29.932 1.00 0.00 N ATOM 81 CA ASP A 6 90.189 2.743 31.196 1.00 0.00 C ATOM 82 C ASP A 6 88.915 3.577 31.026 1.00 0.00 C ATOM 83 O ASP A 6 88.105 3.686 31.926 1.00 0.00 O ATOM 84 CB ASP A 6 91.366 3.665 31.517 1.00 0.00 C ATOM 85 CG ASP A 6 92.574 2.822 31.930 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.370 1.691 32.339 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.682 3.321 31.833 1.00 0.00 O ATOM 0 H ASP A 6 91.362 2.214 29.492 1.00 0.00 H new ATOM 0 HA ASP A 6 90.053 2.034 32.013 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.613 4.273 30.647 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.096 4.351 32.320 1.00 0.00 H new ATOM 92 N LYS A 7 88.738 4.171 29.878 1.00 0.00 N ATOM 93 CA LYS A 7 87.526 5.008 29.639 1.00 0.00 C ATOM 94 C LYS A 7 86.275 4.133 29.761 1.00 0.00 C ATOM 95 O LYS A 7 85.263 4.552 30.285 1.00 0.00 O ATOM 96 CB LYS A 7 87.585 5.597 28.223 1.00 0.00 C ATOM 97 CG LYS A 7 88.796 6.532 28.077 1.00 0.00 C ATOM 98 CD LYS A 7 88.491 7.906 28.684 1.00 0.00 C ATOM 99 CE LYS A 7 89.649 8.860 28.380 1.00 0.00 C ATOM 100 NZ LYS A 7 89.450 10.140 29.119 1.00 0.00 N ATOM 0 H LYS A 7 89.384 4.113 29.091 1.00 0.00 H new ATOM 0 HA LYS A 7 87.490 5.813 30.373 1.00 0.00 H new ATOM 0 HB2 LYS A 7 87.650 4.792 27.491 1.00 0.00 H new ATOM 0 HB3 LYS A 7 86.667 6.146 28.013 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.663 6.094 28.572 1.00 0.00 H new ATOM 0 HG3 LYS A 7 89.052 6.642 27.023 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.562 8.300 28.272 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.350 7.818 29.761 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.595 8.404 28.671 1.00 0.00 H new ATOM 0 HE3 LYS A 7 89.704 9.052 27.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.237 10.787 28.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 88.555 10.577 28.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.419 9.950 30.141 1.00 0.00 H new ATOM 114 N ALA A 8 86.335 2.926 29.271 1.00 0.00 N ATOM 115 CA ALA A 8 85.149 2.027 29.347 1.00 0.00 C ATOM 116 C ALA A 8 84.751 1.811 30.810 1.00 0.00 C ATOM 117 O ALA A 8 83.585 1.697 31.131 1.00 0.00 O ATOM 118 CB ALA A 8 85.491 0.680 28.705 1.00 0.00 C ATOM 0 H ALA A 8 87.156 2.522 28.820 1.00 0.00 H new ATOM 0 HA ALA A 8 84.316 2.485 28.815 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.625 0.021 28.759 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.765 0.834 27.661 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.327 0.225 29.237 1.00 0.00 H new ATOM 124 N GLN A 9 85.703 1.753 31.704 1.00 0.00 N ATOM 125 CA GLN A 9 85.354 1.545 33.139 1.00 0.00 C ATOM 126 C GLN A 9 84.457 2.689 33.619 1.00 0.00 C ATOM 127 O GLN A 9 83.515 2.486 34.357 1.00 0.00 O ATOM 128 CB GLN A 9 86.634 1.528 33.980 1.00 0.00 C ATOM 129 CG GLN A 9 87.429 0.256 33.686 1.00 0.00 C ATOM 130 CD GLN A 9 88.714 0.251 34.516 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.714 0.650 35.664 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.817 -0.198 33.981 1.00 0.00 N ATOM 0 H GLN A 9 86.699 1.840 31.504 1.00 0.00 H new ATOM 0 HA GLN A 9 84.829 0.596 33.247 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.239 2.406 33.756 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.384 1.575 35.040 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.829 -0.623 33.921 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.670 0.203 32.624 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.817 -0.533 33.018 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.679 -0.214 34.526 1.00 0.00 H new ATOM 141 N GLU A 10 84.745 3.891 33.204 1.00 0.00 N ATOM 142 CA GLU A 10 83.914 5.050 33.635 1.00 0.00 C ATOM 143 C GLU A 10 82.466 4.867 33.168 1.00 0.00 C ATOM 144 O GLU A 10 81.533 5.196 33.872 1.00 0.00 O ATOM 145 CB GLU A 10 84.483 6.337 33.035 1.00 0.00 C ATOM 146 CG GLU A 10 83.636 7.531 33.484 1.00 0.00 C ATOM 147 CD GLU A 10 84.294 8.831 33.018 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.354 8.752 32.419 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.727 9.882 33.267 1.00 0.00 O ATOM 0 H GLU A 10 85.521 4.121 32.584 1.00 0.00 H new ATOM 0 HA GLU A 10 83.931 5.112 34.723 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.517 6.472 33.352 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.489 6.271 31.947 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.630 7.452 33.071 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.536 7.531 34.569 1.00 0.00 H new ATOM 156 N GLU A 11 82.273 4.373 31.971 1.00 0.00 N ATOM 157 CA GLU A 11 80.885 4.200 31.435 1.00 0.00 C ATOM 158 C GLU A 11 80.414 2.752 31.598 1.00 0.00 C ATOM 159 O GLU A 11 79.379 2.374 31.085 1.00 0.00 O ATOM 160 CB GLU A 11 80.877 4.561 29.950 1.00 0.00 C ATOM 161 CG GLU A 11 81.082 6.068 29.792 1.00 0.00 C ATOM 162 CD GLU A 11 81.105 6.428 28.305 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.974 5.525 27.496 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.252 7.600 28.002 1.00 0.00 O ATOM 0 H GLU A 11 83.018 4.081 31.339 1.00 0.00 H new ATOM 0 HA GLU A 11 80.212 4.852 31.992 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.666 4.019 29.429 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.932 4.262 29.497 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.281 6.609 30.296 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.017 6.370 30.264 1.00 0.00 H new ATOM 171 N CYS A 12 81.145 1.934 32.304 1.00 0.00 N ATOM 172 CA CYS A 12 80.701 0.521 32.481 1.00 0.00 C ATOM 173 C CYS A 12 79.240 0.513 32.940 1.00 0.00 C ATOM 174 O CYS A 12 78.425 -0.244 32.450 1.00 0.00 O ATOM 175 CB CYS A 12 81.574 -0.169 33.530 1.00 0.00 C ATOM 176 SG CYS A 12 81.071 -1.901 33.691 1.00 0.00 S ATOM 0 H CYS A 12 82.023 2.179 32.762 1.00 0.00 H new ATOM 0 HA CYS A 12 80.794 -0.014 31.536 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.623 -0.109 33.241 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.478 0.339 34.490 1.00 0.00 H new ATOM 181 N GLU A 13 78.905 1.361 33.874 1.00 0.00 N ATOM 182 CA GLU A 13 77.500 1.425 34.371 1.00 0.00 C ATOM 183 C GLU A 13 76.561 1.777 33.214 1.00 0.00 C ATOM 184 O GLU A 13 75.459 1.276 33.117 1.00 0.00 O ATOM 185 CB GLU A 13 77.389 2.494 35.460 1.00 0.00 C ATOM 186 CG GLU A 13 75.948 2.544 35.975 1.00 0.00 C ATOM 187 CD GLU A 13 75.867 3.470 37.191 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.886 4.039 37.546 1.00 0.00 O ATOM 189 OE2 GLU A 13 74.790 3.586 37.751 1.00 0.00 O ATOM 0 H GLU A 13 79.548 2.017 34.317 1.00 0.00 H new ATOM 0 HA GLU A 13 77.220 0.456 34.784 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.072 2.268 36.279 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.679 3.466 35.062 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.283 2.901 35.189 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.613 1.543 36.245 1.00 0.00 H new ATOM 196 N LYS A 14 76.985 2.657 32.349 1.00 0.00 N ATOM 197 CA LYS A 14 76.119 3.075 31.208 1.00 0.00 C ATOM 198 C LYS A 14 75.772 1.865 30.334 1.00 0.00 C ATOM 199 O LYS A 14 74.660 1.735 29.862 1.00 0.00 O ATOM 200 CB LYS A 14 76.867 4.115 30.372 1.00 0.00 C ATOM 201 CG LYS A 14 75.937 4.691 29.302 1.00 0.00 C ATOM 202 CD LYS A 14 76.698 5.729 28.474 1.00 0.00 C ATOM 203 CE LYS A 14 75.783 6.295 27.388 1.00 0.00 C ATOM 204 NZ LYS A 14 75.417 5.210 26.434 1.00 0.00 N ATOM 0 H LYS A 14 77.899 3.108 32.383 1.00 0.00 H new ATOM 0 HA LYS A 14 75.194 3.503 31.594 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.235 4.915 31.015 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.738 3.658 29.902 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.569 3.893 28.657 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.066 5.150 29.770 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.053 6.533 29.119 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.577 5.272 28.020 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.884 6.717 27.838 1.00 0.00 H new ATOM 0 HE3 LYS A 14 76.286 7.105 26.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 75.111 5.629 25.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.243 4.599 26.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.642 4.644 26.833 1.00 0.00 H new ATOM 218 N TYR A 15 76.706 0.981 30.104 1.00 0.00 N ATOM 219 CA TYR A 15 76.405 -0.208 29.249 1.00 0.00 C ATOM 220 C TYR A 15 75.797 -1.318 30.109 1.00 0.00 C ATOM 221 O TYR A 15 75.159 -2.222 29.608 1.00 0.00 O ATOM 222 CB TYR A 15 77.696 -0.713 28.604 1.00 0.00 C ATOM 223 CG TYR A 15 78.234 0.347 27.673 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.622 0.558 26.431 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.337 1.123 28.051 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.113 1.543 25.567 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.827 2.109 27.186 1.00 0.00 C ATOM 228 CZ TYR A 15 79.215 2.319 25.945 1.00 0.00 C ATOM 229 OH TYR A 15 79.699 3.290 25.093 1.00 0.00 O ATOM 0 H TYR A 15 77.658 1.028 30.467 1.00 0.00 H new ATOM 0 HA TYR A 15 75.697 0.077 28.471 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.433 -0.947 29.372 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.505 -1.634 28.054 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.771 -0.040 26.140 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.809 0.961 29.009 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.642 1.705 24.609 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.678 2.708 27.477 1.00 0.00 H new ATOM 0 HH TYR A 15 79.828 2.907 24.200 1.00 0.00 H new ATOM 239 N HIS A 16 75.980 -1.249 31.399 1.00 0.00 N ATOM 240 CA HIS A 16 75.403 -2.288 32.299 1.00 0.00 C ATOM 241 C HIS A 16 75.905 -3.676 31.887 1.00 0.00 C ATOM 242 O HIS A 16 77.093 -3.918 31.805 1.00 0.00 O ATOM 243 CB HIS A 16 73.871 -2.244 32.225 1.00 0.00 C ATOM 244 CG HIS A 16 73.397 -0.837 32.471 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.134 0.047 31.433 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.132 -0.146 33.629 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.731 1.209 31.982 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.714 1.142 33.315 1.00 0.00 N ATOM 0 H HIS A 16 76.507 -0.514 31.871 1.00 0.00 H new ATOM 0 HA HIS A 16 75.719 -2.088 33.323 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.534 -2.587 31.247 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.441 -2.919 32.965 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.233 -0.542 34.629 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.456 2.086 31.414 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.450 1.881 33.967 1.00 0.00 H new ATOM 257 N SER A 17 75.007 -4.595 31.638 1.00 0.00 N ATOM 258 CA SER A 17 75.424 -5.974 31.243 1.00 0.00 C ATOM 259 C SER A 17 75.648 -6.056 29.730 1.00 0.00 C ATOM 260 O SER A 17 76.090 -7.066 29.221 1.00 0.00 O ATOM 261 CB SER A 17 74.335 -6.969 31.643 1.00 0.00 C ATOM 262 OG SER A 17 74.549 -8.197 30.960 1.00 0.00 O ATOM 0 H SER A 17 73.999 -4.449 31.692 1.00 0.00 H new ATOM 0 HA SER A 17 76.357 -6.215 31.752 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.352 -7.131 32.721 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.352 -6.569 31.396 1.00 0.00 H new ATOM 0 HG SER A 17 75.334 -8.116 30.379 1.00 0.00 H new ATOM 268 N ASN A 18 75.351 -5.014 29.001 1.00 0.00 N ATOM 269 CA ASN A 18 75.557 -5.074 27.525 1.00 0.00 C ATOM 270 C ASN A 18 77.040 -4.889 27.215 1.00 0.00 C ATOM 271 O ASN A 18 77.449 -3.887 26.661 1.00 0.00 O ATOM 272 CB ASN A 18 74.765 -3.960 26.831 1.00 0.00 C ATOM 273 CG ASN A 18 73.279 -4.319 26.797 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.911 -5.463 26.972 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.406 -3.379 26.558 1.00 0.00 N ATOM 0 H ASN A 18 74.979 -4.134 29.358 1.00 0.00 H new ATOM 0 HA ASN A 18 75.212 -6.042 27.161 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.908 -3.017 27.359 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.136 -3.816 25.816 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.412 -3.604 26.518 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.718 -2.419 26.411 1.00 0.00 H new ATOM 282 N TRP A 19 77.852 -5.851 27.553 1.00 0.00 N ATOM 283 CA TRP A 19 79.300 -5.726 27.258 1.00 0.00 C ATOM 284 C TRP A 19 79.500 -5.830 25.744 1.00 0.00 C ATOM 285 O TRP A 19 80.497 -5.394 25.206 1.00 0.00 O ATOM 286 CB TRP A 19 80.072 -6.836 27.975 1.00 0.00 C ATOM 287 CG TRP A 19 79.581 -8.168 27.512 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.569 -8.864 28.081 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.059 -8.976 26.400 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.398 -10.049 27.388 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.292 -10.163 26.342 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.074 -8.794 25.444 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.524 -11.136 25.369 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.310 -9.770 24.464 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.537 -10.939 24.427 1.00 0.00 C ATOM 0 H TRP A 19 77.574 -6.715 28.019 1.00 0.00 H new ATOM 0 HA TRP A 19 79.674 -4.765 27.610 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.139 -6.740 27.772 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.943 -6.744 29.053 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.990 -8.546 28.936 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.697 -10.752 27.621 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.676 -7.897 25.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.925 -12.034 25.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.092 -9.620 23.734 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.724 -11.687 23.671 1.00 0.00 H new ATOM 306 N ARG A 20 78.541 -6.390 25.051 1.00 0.00 N ATOM 307 CA ARG A 20 78.659 -6.505 23.568 1.00 0.00 C ATOM 308 C ARG A 20 78.776 -5.105 22.965 1.00 0.00 C ATOM 309 O ARG A 20 79.537 -4.873 22.047 1.00 0.00 O ATOM 310 CB ARG A 20 77.406 -7.187 23.004 1.00 0.00 C ATOM 311 CG ARG A 20 77.371 -8.673 23.398 1.00 0.00 C ATOM 312 CD ARG A 20 78.285 -9.494 22.478 1.00 0.00 C ATOM 313 NE ARG A 20 78.054 -10.946 22.719 1.00 0.00 N ATOM 314 CZ ARG A 20 78.500 -11.828 21.867 1.00 0.00 C ATOM 315 NH1 ARG A 20 79.122 -11.437 20.788 1.00 0.00 N ATOM 316 NH2 ARG A 20 78.319 -13.101 22.090 1.00 0.00 N ATOM 0 H ARG A 20 77.683 -6.772 25.449 1.00 0.00 H new ATOM 0 HA ARG A 20 79.541 -7.095 23.319 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.514 -6.685 23.378 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.393 -7.093 21.918 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.689 -8.788 24.434 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.350 -9.048 23.335 1.00 0.00 H new ATOM 0 HD2 ARG A 20 78.083 -9.251 21.435 1.00 0.00 H new ATOM 0 HD3 ARG A 20 79.329 -9.244 22.667 1.00 0.00 H new ATOM 0 HE ARG A 20 77.547 -11.251 23.550 1.00 0.00 H new ATOM 0 HH11 ARG A 20 79.259 -10.442 20.611 1.00 0.00 H new ATOM 0 HH12 ARG A 20 79.471 -12.127 20.122 1.00 0.00 H new ATOM 0 HH21 ARG A 20 77.829 -13.407 22.931 1.00 0.00 H new ATOM 0 HH22 ARG A 20 78.668 -13.790 21.424 1.00 0.00 H new ATOM 330 N ALA A 21 78.029 -4.169 23.482 1.00 0.00 N ATOM 331 CA ALA A 21 78.093 -2.780 22.949 1.00 0.00 C ATOM 332 C ALA A 21 79.476 -2.199 23.242 1.00 0.00 C ATOM 333 O ALA A 21 80.061 -1.513 22.427 1.00 0.00 O ATOM 334 CB ALA A 21 77.020 -1.922 23.623 1.00 0.00 C ATOM 0 H ALA A 21 77.375 -4.307 24.253 1.00 0.00 H new ATOM 0 HA ALA A 21 77.918 -2.789 21.873 1.00 0.00 H new ATOM 0 HB1 ALA A 21 77.068 -0.906 23.232 1.00 0.00 H new ATOM 0 HB2 ALA A 21 76.036 -2.343 23.418 1.00 0.00 H new ATOM 0 HB3 ALA A 21 77.191 -1.905 24.699 1.00 0.00 H new ATOM 340 N MET A 22 80.002 -2.474 24.402 1.00 0.00 N ATOM 341 CA MET A 22 81.347 -1.948 24.760 1.00 0.00 C ATOM 342 C MET A 22 82.379 -2.467 23.756 1.00 0.00 C ATOM 343 O MET A 22 83.179 -1.720 23.229 1.00 0.00 O ATOM 344 CB MET A 22 81.718 -2.444 26.157 1.00 0.00 C ATOM 345 CG MET A 22 82.985 -1.738 26.645 1.00 0.00 C ATOM 346 SD MET A 22 83.691 -2.671 28.024 1.00 0.00 S ATOM 347 CE MET A 22 82.205 -2.739 29.050 1.00 0.00 C ATOM 0 H MET A 22 79.555 -3.043 25.121 1.00 0.00 H new ATOM 0 HA MET A 22 81.333 -0.858 24.741 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.897 -2.255 26.849 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.877 -3.522 26.139 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.709 -1.662 25.834 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.751 -0.721 26.960 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.489 -2.879 30.093 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.649 -1.807 28.947 1.00 0.00 H new ATOM 0 HE3 MET A 22 81.580 -3.572 28.730 1.00 0.00 H new ATOM 357 N ALA A 23 82.368 -3.745 23.491 1.00 0.00 N ATOM 358 CA ALA A 23 83.350 -4.316 22.527 1.00 0.00 C ATOM 359 C ALA A 23 83.166 -3.653 21.160 1.00 0.00 C ATOM 360 O ALA A 23 84.119 -3.359 20.466 1.00 0.00 O ATOM 361 CB ALA A 23 83.120 -5.825 22.405 1.00 0.00 C ATOM 0 H ALA A 23 81.721 -4.418 23.901 1.00 0.00 H new ATOM 0 HA ALA A 23 84.364 -4.132 22.882 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.837 -6.247 21.700 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.252 -6.293 23.380 1.00 0.00 H new ATOM 0 HB3 ALA A 23 82.107 -6.011 22.047 1.00 0.00 H new ATOM 367 N SER A 24 81.945 -3.424 20.766 1.00 0.00 N ATOM 368 CA SER A 24 81.688 -2.789 19.443 1.00 0.00 C ATOM 369 C SER A 24 82.211 -1.350 19.440 1.00 0.00 C ATOM 370 O SER A 24 82.724 -0.870 18.449 1.00 0.00 O ATOM 371 CB SER A 24 80.186 -2.783 19.164 1.00 0.00 C ATOM 372 OG SER A 24 79.958 -2.356 17.827 1.00 0.00 O ATOM 0 H SER A 24 81.110 -3.650 21.306 1.00 0.00 H new ATOM 0 HA SER A 24 82.204 -3.358 18.670 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.772 -3.780 19.315 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.677 -2.118 19.862 1.00 0.00 H new ATOM 0 HG SER A 24 78.995 -2.353 17.644 1.00 0.00 H new ATOM 378 N ASP A 25 82.069 -0.650 20.532 1.00 0.00 N ATOM 379 CA ASP A 25 82.542 0.765 20.575 1.00 0.00 C ATOM 380 C ASP A 25 84.071 0.819 20.550 1.00 0.00 C ATOM 381 O ASP A 25 84.658 1.658 19.897 1.00 0.00 O ATOM 382 CB ASP A 25 82.041 1.419 21.863 1.00 0.00 C ATOM 383 CG ASP A 25 80.526 1.613 21.784 1.00 0.00 C ATOM 384 OD1 ASP A 25 80.013 1.669 20.680 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.906 1.699 22.831 1.00 0.00 O ATOM 0 H ASP A 25 81.647 -0.994 21.395 1.00 0.00 H new ATOM 0 HA ASP A 25 82.155 1.295 19.705 1.00 0.00 H new ATOM 0 HB2 ASP A 25 82.294 0.796 22.721 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.534 2.380 22.010 1.00 0.00 H new ATOM 390 N PHE A 26 84.721 -0.071 21.249 1.00 0.00 N ATOM 391 CA PHE A 26 86.219 -0.078 21.267 1.00 0.00 C ATOM 392 C PHE A 26 86.739 -1.135 20.290 1.00 0.00 C ATOM 393 O PHE A 26 87.930 -1.313 20.128 1.00 0.00 O ATOM 394 CB PHE A 26 86.707 -0.393 22.681 1.00 0.00 C ATOM 395 CG PHE A 26 86.420 0.782 23.591 1.00 0.00 C ATOM 396 CD1 PHE A 26 85.200 0.862 24.274 1.00 0.00 C ATOM 397 CD2 PHE A 26 87.382 1.787 23.755 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.942 1.950 25.119 1.00 0.00 C ATOM 399 CE2 PHE A 26 87.123 2.873 24.600 1.00 0.00 C ATOM 400 CZ PHE A 26 85.903 2.956 25.282 1.00 0.00 C ATOM 0 H PHE A 26 84.280 -0.798 21.812 1.00 0.00 H new ATOM 0 HA PHE A 26 86.593 0.901 20.966 1.00 0.00 H new ATOM 0 HB2 PHE A 26 86.210 -1.287 23.057 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.776 -0.604 22.669 1.00 0.00 H new ATOM 0 HD1 PHE A 26 84.459 0.086 24.150 1.00 0.00 H new ATOM 0 HD2 PHE A 26 88.324 1.724 23.230 1.00 0.00 H new ATOM 0 HE1 PHE A 26 84.001 2.013 25.645 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.865 3.648 24.726 1.00 0.00 H new ATOM 0 HZ PHE A 26 85.703 3.794 25.933 1.00 0.00 H new ATOM 410 N ASN A 27 85.852 -1.830 19.628 1.00 0.00 N ATOM 411 CA ASN A 27 86.282 -2.870 18.647 1.00 0.00 C ATOM 412 C ASN A 27 87.257 -3.855 19.307 1.00 0.00 C ATOM 413 O ASN A 27 88.305 -4.149 18.766 1.00 0.00 O ATOM 414 CB ASN A 27 86.978 -2.194 17.460 1.00 0.00 C ATOM 415 CG ASN A 27 86.016 -1.218 16.777 1.00 0.00 C ATOM 416 OD1 ASN A 27 84.731 -1.340 16.970 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 86.440 -0.332 16.063 1.00 0.00 N flip ATOM 0 H ASN A 27 84.842 -1.721 19.725 1.00 0.00 H new ATOM 0 HA ASN A 27 85.402 -3.414 18.304 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.866 -1.663 17.803 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.313 -2.947 16.747 1.00 0.00 H new ATOM 0 HD21 ASN A 27 87.444 -0.236 15.911 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.792 0.316 15.615 1.00 0.00 H new ATOM 424 N LEU A 28 86.920 -4.369 20.469 1.00 0.00 N ATOM 425 CA LEU A 28 87.827 -5.343 21.173 1.00 0.00 C ATOM 426 C LEU A 28 87.099 -6.687 21.334 1.00 0.00 C ATOM 427 O LEU A 28 85.888 -6.725 21.422 1.00 0.00 O ATOM 428 CB LEU A 28 88.163 -4.794 22.565 1.00 0.00 C ATOM 429 CG LEU A 28 89.082 -3.563 22.448 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.998 -2.739 23.737 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.540 -4.000 22.241 1.00 0.00 C ATOM 0 H LEU A 28 86.054 -4.157 20.963 1.00 0.00 H new ATOM 0 HA LEU A 28 88.739 -5.482 20.593 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.246 -4.523 23.087 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.652 -5.566 23.159 1.00 0.00 H new ATOM 0 HG LEU A 28 88.757 -2.968 21.595 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.648 -1.868 23.655 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.970 -2.411 23.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.316 -3.351 24.581 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.176 -3.119 22.160 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.863 -4.604 23.089 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.617 -4.588 21.327 1.00 0.00 H new ATOM 443 N PRO A 29 87.821 -7.787 21.379 1.00 0.00 N ATOM 444 CA PRO A 29 87.202 -9.137 21.539 1.00 0.00 C ATOM 445 C PRO A 29 86.657 -9.358 22.968 1.00 0.00 C ATOM 446 O PRO A 29 87.123 -8.747 23.908 1.00 0.00 O ATOM 447 CB PRO A 29 88.358 -10.101 21.233 1.00 0.00 C ATOM 448 CG PRO A 29 89.590 -9.342 21.605 1.00 0.00 C ATOM 449 CD PRO A 29 89.293 -7.875 21.281 1.00 0.00 C ATOM 0 HA PRO A 29 86.341 -9.278 20.885 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.270 -11.021 21.810 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.370 -10.385 20.181 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.823 -9.469 22.662 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.453 -9.699 21.043 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.782 -7.202 21.985 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.645 -7.605 20.285 1.00 0.00 H new ATOM 457 N PRO A 30 85.680 -10.223 23.129 1.00 0.00 N ATOM 458 CA PRO A 30 85.071 -10.519 24.465 1.00 0.00 C ATOM 459 C PRO A 30 86.095 -10.623 25.610 1.00 0.00 C ATOM 460 O PRO A 30 85.759 -10.444 26.763 1.00 0.00 O ATOM 461 CB PRO A 30 84.391 -11.876 24.244 1.00 0.00 C ATOM 462 CG PRO A 30 84.009 -11.893 22.797 1.00 0.00 C ATOM 463 CD PRO A 30 85.035 -11.016 22.060 1.00 0.00 C ATOM 0 HA PRO A 30 84.403 -9.716 24.776 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.066 -12.698 24.483 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.515 -11.986 24.884 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.018 -12.910 22.406 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.999 -11.507 22.659 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.763 -11.623 21.522 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.552 -10.372 21.325 1.00 0.00 H new ATOM 471 N VAL A 31 87.326 -10.933 25.312 1.00 0.00 N ATOM 472 CA VAL A 31 88.339 -11.071 26.403 1.00 0.00 C ATOM 473 C VAL A 31 88.479 -9.758 27.177 1.00 0.00 C ATOM 474 O VAL A 31 88.454 -9.740 28.390 1.00 0.00 O ATOM 475 CB VAL A 31 89.702 -11.447 25.793 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.806 -11.351 26.856 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.645 -12.880 25.260 1.00 0.00 C ATOM 0 H VAL A 31 87.676 -11.096 24.368 1.00 0.00 H new ATOM 0 HA VAL A 31 88.008 -11.851 27.088 1.00 0.00 H new ATOM 0 HB VAL A 31 89.925 -10.755 24.981 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.764 -11.620 26.411 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.856 -10.331 27.237 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.582 -12.034 27.675 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.610 -13.146 24.828 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.412 -13.563 26.077 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.872 -12.953 24.495 1.00 0.00 H new ATOM 487 N VAL A 32 88.658 -8.668 26.493 1.00 0.00 N ATOM 488 CA VAL A 32 88.835 -7.374 27.206 1.00 0.00 C ATOM 489 C VAL A 32 87.501 -6.858 27.761 1.00 0.00 C ATOM 490 O VAL A 32 87.441 -6.342 28.860 1.00 0.00 O ATOM 491 CB VAL A 32 89.420 -6.346 26.242 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.614 -5.017 26.974 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.770 -6.849 25.722 1.00 0.00 C ATOM 0 H VAL A 32 88.690 -8.614 25.475 1.00 0.00 H new ATOM 0 HA VAL A 32 89.513 -7.531 28.045 1.00 0.00 H new ATOM 0 HB VAL A 32 88.740 -6.201 25.403 1.00 0.00 H new ATOM 0 HG11 VAL A 32 90.032 -4.281 26.287 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.652 -4.662 27.345 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.296 -5.159 27.812 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.190 -6.116 25.033 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.452 -6.992 26.560 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.630 -7.797 25.203 1.00 0.00 H new ATOM 503 N ALA A 33 86.434 -6.969 27.015 1.00 0.00 N ATOM 504 CA ALA A 33 85.124 -6.457 27.518 1.00 0.00 C ATOM 505 C ALA A 33 84.714 -7.219 28.778 1.00 0.00 C ATOM 506 O ALA A 33 84.368 -6.632 29.784 1.00 0.00 O ATOM 507 CB ALA A 33 84.053 -6.631 26.442 1.00 0.00 C ATOM 0 H ALA A 33 86.411 -7.389 26.086 1.00 0.00 H new ATOM 0 HA ALA A 33 85.226 -5.399 27.758 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.099 -6.256 26.814 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.339 -6.073 25.550 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.955 -7.688 26.193 1.00 0.00 H new ATOM 513 N LYS A 34 84.759 -8.518 28.736 1.00 0.00 N ATOM 514 CA LYS A 34 84.380 -9.313 29.936 1.00 0.00 C ATOM 515 C LYS A 34 85.300 -8.950 31.102 1.00 0.00 C ATOM 516 O LYS A 34 84.872 -8.850 32.235 1.00 0.00 O ATOM 517 CB LYS A 34 84.503 -10.809 29.630 1.00 0.00 C ATOM 518 CG LYS A 34 83.362 -11.241 28.704 1.00 0.00 C ATOM 519 CD LYS A 34 83.493 -12.737 28.405 1.00 0.00 C ATOM 520 CE LYS A 34 82.358 -13.186 27.479 1.00 0.00 C ATOM 521 NZ LYS A 34 82.730 -14.475 26.831 1.00 0.00 N ATOM 0 H LYS A 34 85.042 -9.065 27.923 1.00 0.00 H new ATOM 0 HA LYS A 34 83.348 -9.087 30.204 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.464 -11.016 29.160 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.471 -11.383 30.556 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.400 -11.035 29.173 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.394 -10.669 27.777 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.457 -12.940 27.938 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.463 -13.306 29.334 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.435 -13.305 28.047 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.170 -12.426 26.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.961 -14.782 26.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.600 -14.346 26.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.889 -15.198 27.562 1.00 0.00 H new ATOM 535 N GLU A 35 86.563 -8.765 30.837 1.00 0.00 N ATOM 536 CA GLU A 35 87.512 -8.423 31.934 1.00 0.00 C ATOM 537 C GLU A 35 87.090 -7.113 32.605 1.00 0.00 C ATOM 538 O GLU A 35 87.157 -6.977 33.811 1.00 0.00 O ATOM 539 CB GLU A 35 88.917 -8.258 31.349 1.00 0.00 C ATOM 540 CG GLU A 35 89.948 -8.153 32.481 1.00 0.00 C ATOM 541 CD GLU A 35 89.902 -6.754 33.105 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.418 -5.846 32.451 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.357 -6.616 34.228 1.00 0.00 O ATOM 0 H GLU A 35 86.980 -8.836 29.909 1.00 0.00 H new ATOM 0 HA GLU A 35 87.506 -9.223 32.675 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.155 -9.106 30.707 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.958 -7.365 30.725 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.743 -8.906 33.242 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.947 -8.355 32.094 1.00 0.00 H new ATOM 550 N ILE A 36 86.652 -6.147 31.844 1.00 0.00 N ATOM 551 CA ILE A 36 86.228 -4.857 32.460 1.00 0.00 C ATOM 552 C ILE A 36 85.068 -5.128 33.419 1.00 0.00 C ATOM 553 O ILE A 36 85.034 -4.637 34.529 1.00 0.00 O ATOM 554 CB ILE A 36 85.793 -3.885 31.360 1.00 0.00 C ATOM 555 CG1 ILE A 36 87.022 -3.503 30.524 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.185 -2.625 31.992 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.583 -2.737 29.274 1.00 0.00 C ATOM 0 H ILE A 36 86.570 -6.194 30.828 1.00 0.00 H new ATOM 0 HA ILE A 36 87.056 -4.412 33.011 1.00 0.00 H new ATOM 0 HB ILE A 36 85.044 -4.357 30.724 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.700 -2.890 31.117 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.571 -4.400 30.238 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.877 -1.936 31.206 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.318 -2.901 32.593 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.928 -2.142 32.627 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.460 -2.469 28.685 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.922 -3.365 28.676 1.00 0.00 H new ATOM 0 HD13 ILE A 36 86.054 -1.831 29.570 1.00 0.00 H new ATOM 569 N VAL A 37 84.131 -5.933 33.002 1.00 0.00 N ATOM 570 CA VAL A 37 82.982 -6.274 33.886 1.00 0.00 C ATOM 571 C VAL A 37 83.530 -7.039 35.094 1.00 0.00 C ATOM 572 O VAL A 37 83.080 -6.875 36.211 1.00 0.00 O ATOM 573 CB VAL A 37 82.004 -7.158 33.103 1.00 0.00 C ATOM 574 CG1 VAL A 37 80.746 -7.421 33.936 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.612 -6.448 31.802 1.00 0.00 C ATOM 0 H VAL A 37 84.112 -6.372 32.081 1.00 0.00 H new ATOM 0 HA VAL A 37 82.461 -5.377 34.220 1.00 0.00 H new ATOM 0 HB VAL A 37 82.486 -8.109 32.877 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.059 -8.050 33.369 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.022 -7.927 34.861 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.261 -6.474 34.171 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.917 -7.073 31.242 1.00 0.00 H new ATOM 0 HG22 VAL A 37 81.136 -5.496 32.036 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.504 -6.270 31.202 1.00 0.00 H new ATOM 585 N ALA A 38 84.502 -7.879 34.864 1.00 0.00 N ATOM 586 CA ALA A 38 85.102 -8.678 35.971 1.00 0.00 C ATOM 587 C ALA A 38 85.706 -7.763 37.044 1.00 0.00 C ATOM 588 O ALA A 38 85.851 -8.155 38.185 1.00 0.00 O ATOM 589 CB ALA A 38 86.207 -9.569 35.404 1.00 0.00 C ATOM 0 H ALA A 38 84.911 -8.048 33.945 1.00 0.00 H new ATOM 0 HA ALA A 38 84.317 -9.282 36.426 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.650 -10.156 36.209 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.785 -10.240 34.655 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.975 -8.948 34.943 1.00 0.00 H new ATOM 595 N SER A 39 86.084 -6.558 36.699 1.00 0.00 N ATOM 596 CA SER A 39 86.706 -5.654 37.719 1.00 0.00 C ATOM 597 C SER A 39 85.632 -4.796 38.390 1.00 0.00 C ATOM 598 O SER A 39 85.755 -4.432 39.542 1.00 0.00 O ATOM 599 CB SER A 39 87.724 -4.741 37.038 1.00 0.00 C ATOM 600 OG SER A 39 88.746 -5.534 36.448 1.00 0.00 O ATOM 0 H SER A 39 85.991 -6.162 35.764 1.00 0.00 H new ATOM 0 HA SER A 39 87.201 -6.264 38.475 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.233 -4.134 36.277 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.156 -4.053 37.765 1.00 0.00 H new ATOM 0 HG SER A 39 88.710 -5.442 35.473 1.00 0.00 H new ATOM 606 N CYS A 40 84.576 -4.481 37.697 1.00 0.00 N ATOM 607 CA CYS A 40 83.509 -3.661 38.333 1.00 0.00 C ATOM 608 C CYS A 40 82.984 -4.413 39.558 1.00 0.00 C ATOM 609 O CYS A 40 82.747 -5.603 39.507 1.00 0.00 O ATOM 610 CB CYS A 40 82.373 -3.437 37.336 1.00 0.00 C ATOM 611 SG CYS A 40 81.288 -2.119 37.937 1.00 0.00 S ATOM 0 H CYS A 40 84.405 -4.752 36.728 1.00 0.00 H new ATOM 0 HA CYS A 40 83.909 -2.693 38.635 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.779 -3.171 36.360 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.805 -4.358 37.204 1.00 0.00 H new ATOM 616 N ASP A 41 82.812 -3.738 40.660 1.00 0.00 N ATOM 617 CA ASP A 41 82.316 -4.435 41.882 1.00 0.00 C ATOM 618 C ASP A 41 80.806 -4.655 41.780 1.00 0.00 C ATOM 619 O ASP A 41 80.262 -5.568 42.369 1.00 0.00 O ATOM 620 CB ASP A 41 82.624 -3.584 43.116 1.00 0.00 C ATOM 621 CG ASP A 41 84.132 -3.581 43.372 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.799 -4.474 42.875 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.594 -2.688 44.064 1.00 0.00 O ATOM 0 H ASP A 41 82.992 -2.740 40.769 1.00 0.00 H new ATOM 0 HA ASP A 41 82.814 -5.401 41.969 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.268 -2.565 42.966 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.098 -3.980 43.984 1.00 0.00 H new ATOM 628 N LYS A 42 80.119 -3.820 41.049 1.00 0.00 N ATOM 629 CA LYS A 42 78.643 -3.982 40.928 1.00 0.00 C ATOM 630 C LYS A 42 78.321 -5.172 40.014 1.00 0.00 C ATOM 631 O LYS A 42 77.408 -5.931 40.268 1.00 0.00 O ATOM 632 CB LYS A 42 78.040 -2.709 40.326 1.00 0.00 C ATOM 633 CG LYS A 42 78.364 -1.495 41.210 1.00 0.00 C ATOM 634 CD LYS A 42 77.620 -1.585 42.551 1.00 0.00 C ATOM 635 CE LYS A 42 77.555 -0.195 43.193 1.00 0.00 C ATOM 636 NZ LYS A 42 77.130 -0.320 44.616 1.00 0.00 N ATOM 0 H LYS A 42 80.515 -3.035 40.532 1.00 0.00 H new ATOM 0 HA LYS A 42 78.221 -4.161 41.917 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.434 -2.552 39.322 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.960 -2.820 40.231 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.438 -1.444 41.387 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.083 -0.577 40.693 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.613 -1.973 42.395 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.131 -2.281 43.216 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.530 0.289 43.135 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.853 0.436 42.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 77.087 0.624 45.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.191 -0.765 44.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.816 -0.907 45.133 1.00 0.00 H new ATOM 650 N CYS A 43 79.060 -5.336 38.945 1.00 0.00 N ATOM 651 CA CYS A 43 78.788 -6.472 38.009 1.00 0.00 C ATOM 652 C CYS A 43 79.497 -7.740 38.491 1.00 0.00 C ATOM 653 O CYS A 43 79.397 -8.784 37.879 1.00 0.00 O ATOM 654 CB CYS A 43 79.284 -6.121 36.607 1.00 0.00 C ATOM 655 SG CYS A 43 78.542 -4.556 36.076 1.00 0.00 S ATOM 0 H CYS A 43 79.839 -4.734 38.680 1.00 0.00 H new ATOM 0 HA CYS A 43 77.713 -6.650 37.984 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.371 -6.039 36.604 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.022 -6.915 35.908 1.00 0.00 H new ATOM 660 N GLN A 44 80.222 -7.663 39.572 1.00 0.00 N ATOM 661 CA GLN A 44 80.942 -8.870 40.065 1.00 0.00 C ATOM 662 C GLN A 44 79.930 -9.903 40.572 1.00 0.00 C ATOM 663 O GLN A 44 79.923 -11.040 40.142 1.00 0.00 O ATOM 664 CB GLN A 44 81.882 -8.464 41.206 1.00 0.00 C ATOM 665 CG GLN A 44 82.720 -9.666 41.654 1.00 0.00 C ATOM 666 CD GLN A 44 83.627 -10.113 40.505 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.860 -11.291 40.322 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.147 -9.213 39.715 1.00 0.00 N ATOM 0 H GLN A 44 80.347 -6.820 40.133 1.00 0.00 H new ATOM 0 HA GLN A 44 81.522 -9.308 39.252 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.537 -7.657 40.878 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.302 -8.082 42.046 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.321 -9.400 42.523 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.068 -10.485 41.956 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.951 -8.224 39.870 1.00 0.00 H new ATOM 0 HE22 GLN A 44 84.750 -9.499 38.943 1.00 0.00 H new ATOM 677 N LEU A 45 79.077 -9.516 41.478 1.00 0.00 N ATOM 678 CA LEU A 45 78.062 -10.474 42.013 1.00 0.00 C ATOM 679 C LEU A 45 76.815 -10.458 41.128 1.00 0.00 C ATOM 680 O LEU A 45 76.390 -9.421 40.656 1.00 0.00 O ATOM 681 CB LEU A 45 77.667 -10.062 43.433 1.00 0.00 C ATOM 682 CG LEU A 45 78.895 -10.087 44.351 1.00 0.00 C ATOM 683 CD1 LEU A 45 78.490 -9.573 45.736 1.00 0.00 C ATOM 684 CD2 LEU A 45 79.440 -11.523 44.469 1.00 0.00 C ATOM 0 H LEU A 45 79.036 -8.577 41.874 1.00 0.00 H new ATOM 0 HA LEU A 45 78.491 -11.476 42.023 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.232 -9.063 43.422 1.00 0.00 H new ATOM 0 HB3 LEU A 45 76.903 -10.738 43.817 1.00 0.00 H new ATOM 0 HG LEU A 45 79.675 -9.451 43.932 1.00 0.00 H new ATOM 0 HD11 LEU A 45 79.357 -9.587 46.397 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.115 -8.553 45.650 1.00 0.00 H new ATOM 0 HD13 LEU A 45 77.710 -10.213 46.148 1.00 0.00 H new ATOM 0 HD21 LEU A 45 80.312 -11.529 45.123 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.669 -12.172 44.886 1.00 0.00 H new ATOM 0 HD23 LEU A 45 79.725 -11.886 43.482 1.00 0.00 H new ATOM 696 N LYS A 46 76.215 -11.597 40.910 1.00 0.00 N ATOM 697 CA LYS A 46 74.986 -11.643 40.067 1.00 0.00 C ATOM 698 C LYS A 46 73.773 -11.254 40.918 1.00 0.00 C ATOM 699 O LYS A 46 73.543 -11.806 41.976 1.00 0.00 O ATOM 700 CB LYS A 46 74.794 -13.059 39.520 1.00 0.00 C ATOM 701 CG LYS A 46 75.878 -13.353 38.480 1.00 0.00 C ATOM 702 CD LYS A 46 75.660 -14.746 37.870 1.00 0.00 C ATOM 703 CE LYS A 46 75.802 -15.835 38.942 1.00 0.00 C ATOM 704 NZ LYS A 46 76.913 -15.490 39.874 1.00 0.00 N ATOM 0 H LYS A 46 76.522 -12.497 41.279 1.00 0.00 H new ATOM 0 HA LYS A 46 75.087 -10.945 39.236 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.847 -13.785 40.332 1.00 0.00 H new ATOM 0 HB3 LYS A 46 73.806 -13.156 39.069 1.00 0.00 H new ATOM 0 HG2 LYS A 46 75.855 -12.596 37.696 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.863 -13.301 38.945 1.00 0.00 H new ATOM 0 HD2 LYS A 46 74.669 -14.800 37.419 1.00 0.00 H new ATOM 0 HD3 LYS A 46 76.383 -14.917 37.073 1.00 0.00 H new ATOM 0 HE2 LYS A 46 74.869 -15.935 39.496 1.00 0.00 H new ATOM 0 HE3 LYS A 46 75.998 -16.798 38.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 77.206 -16.341 40.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 77.720 -15.121 39.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 76.589 -14.767 40.547 1.00 0.00 H new ATOM 718 N GLY A 47 72.994 -10.312 40.463 1.00 0.00 N ATOM 719 CA GLY A 47 71.793 -9.889 41.243 1.00 0.00 C ATOM 720 C GLY A 47 72.185 -9.652 42.704 1.00 0.00 C ATOM 721 O GLY A 47 73.342 -9.479 43.027 1.00 0.00 O ATOM 0 H GLY A 47 73.136 -9.815 39.584 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.373 -8.978 40.817 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.020 -10.655 41.183 1.00 0.00 H new ATOM 725 N GLU A 48 71.225 -9.648 43.590 1.00 0.00 N ATOM 726 CA GLU A 48 71.538 -9.429 45.032 1.00 0.00 C ATOM 727 C GLU A 48 71.948 -10.761 45.664 1.00 0.00 C ATOM 728 O GLU A 48 71.391 -11.797 45.362 1.00 0.00 O ATOM 729 CB GLU A 48 70.297 -8.891 45.751 1.00 0.00 C ATOM 730 CG GLU A 48 69.880 -7.552 45.141 1.00 0.00 C ATOM 731 CD GLU A 48 70.966 -6.507 45.402 1.00 0.00 C ATOM 732 OE1 GLU A 48 71.294 -6.300 46.558 1.00 0.00 O ATOM 733 OE2 GLU A 48 71.452 -5.934 44.441 1.00 0.00 O ATOM 0 H GLU A 48 70.237 -9.787 43.377 1.00 0.00 H new ATOM 0 HA GLU A 48 72.351 -8.709 45.123 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.480 -9.608 45.669 1.00 0.00 H new ATOM 0 HB3 GLU A 48 70.507 -8.767 46.813 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.720 -7.664 44.069 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.934 -7.224 45.572 1.00 0.00 H new ATOM 740 N ALA A 49 72.914 -10.746 46.541 1.00 0.00 N ATOM 741 CA ALA A 49 73.348 -12.016 47.190 1.00 0.00 C ATOM 742 C ALA A 49 72.258 -12.481 48.157 1.00 0.00 C ATOM 743 O ALA A 49 71.214 -11.871 48.261 1.00 0.00 O ATOM 744 CB ALA A 49 74.652 -11.785 47.958 1.00 0.00 C ATOM 0 H ALA A 49 73.421 -9.911 46.836 1.00 0.00 H new ATOM 0 HA ALA A 49 73.514 -12.778 46.428 1.00 0.00 H new ATOM 0 HB1 ALA A 49 74.966 -12.716 48.431 1.00 0.00 H new ATOM 0 HB2 ALA A 49 75.426 -11.450 47.268 1.00 0.00 H new ATOM 0 HB3 ALA A 49 74.494 -11.025 48.723 1.00 0.00 H new ATOM 750 N MET A 50 72.492 -13.564 48.849 1.00 0.00 N ATOM 751 CA MET A 50 71.477 -14.092 49.811 1.00 0.00 C ATOM 752 C MET A 50 70.182 -14.412 49.058 1.00 0.00 C ATOM 753 O MET A 50 69.132 -14.564 49.650 1.00 0.00 O ATOM 754 CB MET A 50 71.188 -13.052 50.906 1.00 0.00 C ATOM 755 CG MET A 50 72.494 -12.622 51.582 1.00 0.00 C ATOM 756 SD MET A 50 73.137 -13.984 52.595 1.00 0.00 S ATOM 757 CE MET A 50 73.194 -13.132 54.194 1.00 0.00 C ATOM 0 H MET A 50 73.351 -14.111 48.789 1.00 0.00 H new ATOM 0 HA MET A 50 71.868 -14.997 50.277 1.00 0.00 H new ATOM 0 HB2 MET A 50 70.691 -12.184 50.472 1.00 0.00 H new ATOM 0 HB3 MET A 50 70.507 -13.472 51.647 1.00 0.00 H new ATOM 0 HG2 MET A 50 73.229 -12.339 50.828 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.321 -11.744 52.204 1.00 0.00 H new ATOM 0 HE1 MET A 50 73.569 -13.815 54.957 1.00 0.00 H new ATOM 0 HE2 MET A 50 73.856 -12.269 54.123 1.00 0.00 H new ATOM 0 HE3 MET A 50 72.192 -12.800 54.465 1.00 0.00 H new ATOM 767 N HIS A 51 70.245 -14.519 47.755 1.00 0.00 N ATOM 768 CA HIS A 51 69.015 -14.834 46.967 1.00 0.00 C ATOM 769 C HIS A 51 68.833 -16.350 46.879 1.00 0.00 C ATOM 770 O HIS A 51 67.743 -16.844 46.670 1.00 0.00 O ATOM 771 CB HIS A 51 69.153 -14.264 45.553 1.00 0.00 C ATOM 772 CG HIS A 51 70.322 -14.912 44.864 1.00 0.00 C ATOM 773 ND1 HIS A 51 71.596 -14.364 44.891 1.00 0.00 N ATOM 774 CD2 HIS A 51 70.427 -16.069 44.129 1.00 0.00 C ATOM 775 CE1 HIS A 51 72.406 -15.181 44.193 1.00 0.00 C ATOM 776 NE2 HIS A 51 71.741 -16.233 43.710 1.00 0.00 N ATOM 0 H HIS A 51 71.095 -14.402 47.203 1.00 0.00 H new ATOM 0 HA HIS A 51 68.151 -14.390 47.461 1.00 0.00 H new ATOM 0 HB2 HIS A 51 68.239 -14.442 44.987 1.00 0.00 H new ATOM 0 HB3 HIS A 51 69.296 -13.184 45.597 1.00 0.00 H new ATOM 0 HD1 HIS A 51 71.869 -13.498 45.356 1.00 0.00 H new ATOM 0 HD2 HIS A 51 69.614 -16.746 43.911 1.00 0.00 H new ATOM 0 HE1 HIS A 51 73.461 -15.007 44.042 1.00 0.00 H new ATOM 785 N GLY A 52 69.897 -17.093 47.024 1.00 0.00 N ATOM 786 CA GLY A 52 69.794 -18.578 46.936 1.00 0.00 C ATOM 787 C GLY A 52 69.356 -19.160 48.282 1.00 0.00 C ATOM 788 O GLY A 52 69.464 -18.526 49.313 1.00 0.00 O ATOM 0 H GLY A 52 70.836 -16.734 47.200 1.00 0.00 H new ATOM 0 HA2 GLY A 52 69.078 -18.855 46.162 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.756 -19.000 46.645 1.00 0.00 H new ATOM 792 N GLN A 53 68.869 -20.372 48.275 1.00 0.00 N ATOM 793 CA GLN A 53 68.426 -21.018 49.542 1.00 0.00 C ATOM 794 C GLN A 53 68.421 -22.538 49.359 1.00 0.00 C ATOM 795 O GLN A 53 67.763 -23.066 48.485 1.00 0.00 O ATOM 796 CB GLN A 53 67.021 -20.535 49.908 1.00 0.00 C ATOM 797 CG GLN A 53 66.575 -21.213 51.204 1.00 0.00 C ATOM 798 CD GLN A 53 65.288 -20.559 51.707 1.00 0.00 C ATOM 799 OE1 GLN A 53 64.952 -19.462 51.306 1.00 0.00 O ATOM 800 NE2 GLN A 53 64.542 -21.195 52.569 1.00 0.00 N ATOM 0 H GLN A 53 68.759 -20.946 47.439 1.00 0.00 H new ATOM 0 HA GLN A 53 69.112 -20.750 50.346 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.017 -19.452 50.031 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.323 -20.767 49.104 1.00 0.00 H new ATOM 0 HG2 GLN A 53 66.411 -22.277 51.032 1.00 0.00 H new ATOM 0 HG3 GLN A 53 67.357 -21.128 51.959 1.00 0.00 H new ATOM 0 HE21 GLN A 53 64.824 -22.116 52.906 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.677 -20.771 52.906 1.00 0.00 H new ATOM 809 N VAL A 54 69.164 -23.242 50.172 1.00 0.00 N ATOM 810 CA VAL A 54 69.231 -24.732 50.050 1.00 0.00 C ATOM 811 C VAL A 54 68.298 -25.388 51.072 1.00 0.00 C ATOM 812 O VAL A 54 68.249 -25.000 52.222 1.00 0.00 O ATOM 813 CB VAL A 54 70.666 -25.184 50.316 1.00 0.00 C ATOM 814 CG1 VAL A 54 70.754 -26.708 50.208 1.00 0.00 C ATOM 815 CG2 VAL A 54 71.596 -24.542 49.283 1.00 0.00 C ATOM 0 H VAL A 54 69.732 -22.847 50.922 1.00 0.00 H new ATOM 0 HA VAL A 54 68.921 -25.027 49.047 1.00 0.00 H new ATOM 0 HB VAL A 54 70.965 -24.878 51.318 1.00 0.00 H new ATOM 0 HG11 VAL A 54 71.779 -27.028 50.398 1.00 0.00 H new ATOM 0 HG12 VAL A 54 70.090 -27.164 50.942 1.00 0.00 H new ATOM 0 HG13 VAL A 54 70.457 -27.020 49.207 1.00 0.00 H new ATOM 0 HG21 VAL A 54 72.622 -24.861 49.468 1.00 0.00 H new ATOM 0 HG22 VAL A 54 71.295 -24.850 48.282 1.00 0.00 H new ATOM 0 HG23 VAL A 54 71.534 -23.457 49.362 1.00 0.00 H new ATOM 825 N ASP A 55 67.562 -26.388 50.661 1.00 0.00 N ATOM 826 CA ASP A 55 66.636 -27.079 51.607 1.00 0.00 C ATOM 827 C ASP A 55 67.392 -28.194 52.332 1.00 0.00 C ATOM 828 O ASP A 55 67.073 -28.451 53.481 1.00 0.00 O ATOM 829 CB ASP A 55 65.467 -27.688 50.827 1.00 0.00 C ATOM 830 CG ASP A 55 64.425 -28.228 51.810 1.00 0.00 C ATOM 831 OD1 ASP A 55 64.790 -29.044 52.640 1.00 0.00 O ATOM 832 OD2 ASP A 55 63.280 -27.818 51.714 1.00 0.00 O ATOM 833 OXT ASP A 55 68.279 -28.772 51.726 1.00 0.00 O ATOM 0 H ASP A 55 67.562 -26.756 49.710 1.00 0.00 H new ATOM 0 HA ASP A 55 66.255 -26.360 52.332 1.00 0.00 H new ATOM 0 HB2 ASP A 55 65.016 -26.936 50.180 1.00 0.00 H new ATOM 0 HB3 ASP A 55 65.825 -28.491 50.182 1.00 0.00 H new TER 838 ASP A 55 ATOM 839 N PHE B 1 96.102 -11.580 22.512 1.00 0.00 N ATOM 840 CA PHE B 1 95.243 -12.740 22.884 1.00 0.00 C ATOM 841 C PHE B 1 95.855 -14.020 22.320 1.00 0.00 C ATOM 842 O PHE B 1 95.850 -14.252 21.127 1.00 0.00 O ATOM 843 CB PHE B 1 93.838 -12.533 22.316 1.00 0.00 C ATOM 844 CG PHE B 1 93.423 -11.095 22.535 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.178 -10.626 23.832 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.295 -10.225 21.443 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.802 -9.292 24.037 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.920 -8.891 21.649 1.00 0.00 C ATOM 849 CZ PHE B 1 92.673 -8.425 22.945 1.00 0.00 C ATOM 0 H1 PHE B 1 95.502 -10.788 22.205 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.667 -11.288 23.335 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.738 -11.854 21.736 1.00 0.00 H new ATOM 0 HA PHE B 1 95.179 -12.822 23.969 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.824 -12.771 21.252 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.133 -13.206 22.803 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.279 -11.294 24.675 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.486 -10.584 20.442 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.612 -8.932 25.037 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.822 -8.222 20.807 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.383 -7.397 23.103 1.00 0.00 H new ATOM 861 N LEU B 2 96.404 -14.845 23.176 1.00 0.00 N ATOM 862 CA LEU B 2 97.049 -16.112 22.711 1.00 0.00 C ATOM 863 C LEU B 2 96.132 -17.309 22.923 1.00 0.00 C ATOM 864 O LEU B 2 95.436 -17.415 23.907 1.00 0.00 O ATOM 865 CB LEU B 2 98.358 -16.332 23.476 1.00 0.00 C ATOM 866 CG LEU B 2 99.359 -15.217 23.140 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.593 -15.362 24.037 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.783 -15.305 21.659 1.00 0.00 C ATOM 0 H LEU B 2 96.433 -14.694 24.184 1.00 0.00 H new ATOM 0 HA LEU B 2 97.250 -16.019 21.644 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.164 -16.346 24.548 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.782 -17.302 23.216 1.00 0.00 H new ATOM 0 HG LEU B 2 98.887 -14.250 23.312 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.308 -14.573 23.803 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.294 -15.283 25.082 1.00 0.00 H new ATOM 0 HD13 LEU B 2 101.056 -16.334 23.865 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.493 -14.508 21.436 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.251 -16.271 21.471 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.905 -15.198 21.022 1.00 0.00 H new ATOM 880 N ASP B 3 96.157 -18.223 21.994 1.00 0.00 N ATOM 881 CA ASP B 3 95.318 -19.447 22.110 1.00 0.00 C ATOM 882 C ASP B 3 95.717 -20.195 23.380 1.00 0.00 C ATOM 883 O ASP B 3 94.890 -20.768 24.061 1.00 0.00 O ATOM 884 CB ASP B 3 95.540 -20.343 20.889 1.00 0.00 C ATOM 885 CG ASP B 3 94.925 -19.688 19.651 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.082 -18.822 19.819 1.00 0.00 O ATOM 887 OD2 ASP B 3 95.309 -20.061 18.555 1.00 0.00 O ATOM 0 H ASP B 3 96.729 -18.173 21.151 1.00 0.00 H new ATOM 0 HA ASP B 3 94.264 -19.172 22.158 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.607 -20.506 20.734 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.089 -21.321 21.057 1.00 0.00 H new ATOM 892 N GLY B 4 96.982 -20.186 23.714 1.00 0.00 N ATOM 893 CA GLY B 4 97.436 -20.885 24.953 1.00 0.00 C ATOM 894 C GLY B 4 96.540 -20.462 26.122 1.00 0.00 C ATOM 895 O GLY B 4 96.566 -21.048 27.186 1.00 0.00 O ATOM 0 H GLY B 4 97.720 -19.725 23.182 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.389 -21.965 24.814 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.476 -20.636 25.166 1.00 0.00 H new ATOM 899 N ILE B 5 95.737 -19.456 25.916 1.00 0.00 N ATOM 900 CA ILE B 5 94.815 -18.986 26.984 1.00 0.00 C ATOM 901 C ILE B 5 93.875 -20.135 27.372 1.00 0.00 C ATOM 902 O ILE B 5 93.583 -20.347 28.532 1.00 0.00 O ATOM 903 CB ILE B 5 94.029 -17.777 26.443 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.922 -16.528 26.511 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.749 -17.549 27.260 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.304 -15.385 25.694 1.00 0.00 C ATOM 0 H ILE B 5 95.681 -18.934 25.042 1.00 0.00 H new ATOM 0 HA ILE B 5 95.364 -18.681 27.875 1.00 0.00 H new ATOM 0 HB ILE B 5 93.742 -17.973 25.410 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.045 -16.217 27.548 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.915 -16.762 26.128 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.210 -16.690 26.860 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.116 -18.435 27.200 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.011 -17.360 28.301 1.00 0.00 H new ATOM 0 HD11 ILE B 5 94.948 -14.507 25.752 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.204 -15.694 24.654 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.321 -15.141 26.096 1.00 0.00 H new ATOM 918 N ASP B 6 93.415 -20.886 26.412 1.00 0.00 N ATOM 919 CA ASP B 6 92.511 -22.031 26.721 1.00 0.00 C ATOM 920 C ASP B 6 93.235 -23.016 27.644 1.00 0.00 C ATOM 921 O ASP B 6 92.656 -23.571 28.556 1.00 0.00 O ATOM 922 CB ASP B 6 92.117 -22.738 25.424 1.00 0.00 C ATOM 923 CG ASP B 6 91.183 -21.834 24.617 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.576 -20.959 25.215 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.089 -22.033 23.418 1.00 0.00 O ATOM 0 H ASP B 6 93.626 -20.757 25.422 1.00 0.00 H new ATOM 0 HA ASP B 6 91.613 -21.662 27.216 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.007 -22.974 24.840 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.623 -23.683 25.648 1.00 0.00 H new ATOM 930 N LYS B 7 94.496 -23.240 27.404 1.00 0.00 N ATOM 931 CA LYS B 7 95.268 -24.193 28.254 1.00 0.00 C ATOM 932 C LYS B 7 95.282 -23.684 29.698 1.00 0.00 C ATOM 933 O LYS B 7 95.185 -24.449 30.636 1.00 0.00 O ATOM 934 CB LYS B 7 96.711 -24.279 27.741 1.00 0.00 C ATOM 935 CG LYS B 7 96.744 -24.843 26.313 1.00 0.00 C ATOM 936 CD LYS B 7 96.614 -26.370 26.335 1.00 0.00 C ATOM 937 CE LYS B 7 96.813 -26.914 24.918 1.00 0.00 C ATOM 938 NZ LYS B 7 96.506 -28.372 24.896 1.00 0.00 N ATOM 0 H LYS B 7 95.029 -22.803 26.652 1.00 0.00 H new ATOM 0 HA LYS B 7 94.803 -25.178 28.212 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.168 -23.290 27.758 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.301 -24.914 28.402 1.00 0.00 H new ATOM 0 HG2 LYS B 7 95.933 -24.412 25.727 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.676 -24.559 25.825 1.00 0.00 H new ATOM 0 HD2 LYS B 7 97.354 -26.800 27.010 1.00 0.00 H new ATOM 0 HD3 LYS B 7 95.633 -26.658 26.713 1.00 0.00 H new ATOM 0 HE2 LYS B 7 96.165 -26.385 24.220 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.839 -26.743 24.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 96.641 -28.741 23.933 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.142 -28.871 25.550 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 95.520 -28.524 25.189 1.00 0.00 H new ATOM 952 N ALA B 8 95.413 -22.399 29.882 1.00 0.00 N ATOM 953 CA ALA B 8 95.448 -21.841 31.264 1.00 0.00 C ATOM 954 C ALA B 8 94.148 -22.187 31.999 1.00 0.00 C ATOM 955 O ALA B 8 94.148 -22.426 33.190 1.00 0.00 O ATOM 956 CB ALA B 8 95.607 -20.321 31.196 1.00 0.00 C ATOM 0 H ALA B 8 95.497 -21.710 29.134 1.00 0.00 H new ATOM 0 HA ALA B 8 96.291 -22.273 31.804 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.633 -19.912 32.206 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.536 -20.075 30.681 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.766 -19.891 30.652 1.00 0.00 H new ATOM 962 N GLN B 9 93.041 -22.217 31.308 1.00 0.00 N ATOM 963 CA GLN B 9 91.756 -22.550 31.990 1.00 0.00 C ATOM 964 C GLN B 9 91.852 -23.948 32.605 1.00 0.00 C ATOM 965 O GLN B 9 91.381 -24.190 33.699 1.00 0.00 O ATOM 966 CB GLN B 9 90.615 -22.531 30.968 1.00 0.00 C ATOM 967 CG GLN B 9 90.344 -21.093 30.522 1.00 0.00 C ATOM 968 CD GLN B 9 89.215 -21.081 29.490 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.253 -21.814 29.614 1.00 0.00 O ATOM 970 NE2 GLN B 9 89.287 -20.265 28.473 1.00 0.00 N ATOM 0 H GLN B 9 92.969 -22.027 30.308 1.00 0.00 H new ATOM 0 HA GLN B 9 91.562 -21.816 32.772 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.876 -23.146 30.107 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.715 -22.962 31.406 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.072 -20.480 31.381 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.247 -20.658 30.093 1.00 0.00 H new ATOM 0 HE21 GLN B 9 90.094 -19.650 28.369 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.536 -20.243 27.783 1.00 0.00 H new ATOM 979 N GLU B 10 92.459 -24.869 31.910 1.00 0.00 N ATOM 980 CA GLU B 10 92.586 -26.253 32.450 1.00 0.00 C ATOM 981 C GLU B 10 93.379 -26.239 33.761 1.00 0.00 C ATOM 982 O GLU B 10 93.072 -26.963 34.687 1.00 0.00 O ATOM 983 CB GLU B 10 93.309 -27.134 31.429 1.00 0.00 C ATOM 984 CG GLU B 10 93.433 -28.560 31.977 1.00 0.00 C ATOM 985 CD GLU B 10 94.009 -29.476 30.896 1.00 0.00 C ATOM 986 OE1 GLU B 10 94.253 -28.991 29.804 1.00 0.00 O ATOM 987 OE2 GLU B 10 94.195 -30.648 31.178 1.00 0.00 O ATOM 0 H GLU B 10 92.874 -24.724 30.990 1.00 0.00 H new ATOM 0 HA GLU B 10 91.590 -26.651 32.641 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.760 -27.142 30.487 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.298 -26.727 31.218 1.00 0.00 H new ATOM 0 HG2 GLU B 10 94.077 -28.568 32.856 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.456 -28.925 32.295 1.00 0.00 H new ATOM 994 N GLU B 11 94.415 -25.444 33.834 1.00 0.00 N ATOM 995 CA GLU B 11 95.258 -25.405 35.074 1.00 0.00 C ATOM 996 C GLU B 11 94.872 -24.216 35.958 1.00 0.00 C ATOM 997 O GLU B 11 95.542 -23.922 36.929 1.00 0.00 O ATOM 998 CB GLU B 11 96.728 -25.274 34.672 1.00 0.00 C ATOM 999 CG GLU B 11 97.196 -26.577 34.022 1.00 0.00 C ATOM 1000 CD GLU B 11 98.658 -26.437 33.594 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.217 -25.374 33.806 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.193 -27.396 33.063 1.00 0.00 O ATOM 0 H GLU B 11 94.717 -24.817 33.088 1.00 0.00 H new ATOM 0 HA GLU B 11 95.097 -26.324 35.637 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.854 -24.443 33.978 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.338 -25.053 35.548 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.089 -27.405 34.723 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.574 -26.809 33.158 1.00 0.00 H new ATOM 1009 N CYS B 12 93.806 -23.530 35.650 1.00 0.00 N ATOM 1010 CA CYS B 12 93.411 -22.372 36.503 1.00 0.00 C ATOM 1011 C CYS B 12 93.390 -22.817 37.969 1.00 0.00 C ATOM 1012 O CYS B 12 93.881 -22.134 38.845 1.00 0.00 O ATOM 1013 CB CYS B 12 92.019 -21.881 36.096 1.00 0.00 C ATOM 1014 SG CYS B 12 91.574 -20.437 37.094 1.00 0.00 S ATOM 0 H CYS B 12 93.197 -23.717 34.854 1.00 0.00 H new ATOM 0 HA CYS B 12 94.127 -21.560 36.373 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.008 -21.622 35.037 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.286 -22.675 36.238 1.00 0.00 H new ATOM 1019 N GLU B 13 92.832 -23.967 38.233 1.00 0.00 N ATOM 1020 CA GLU B 13 92.781 -24.478 39.633 1.00 0.00 C ATOM 1021 C GLU B 13 94.204 -24.636 40.178 1.00 0.00 C ATOM 1022 O GLU B 13 94.474 -24.371 41.332 1.00 0.00 O ATOM 1023 CB GLU B 13 92.073 -25.835 39.661 1.00 0.00 C ATOM 1024 CG GLU B 13 92.015 -26.347 41.102 1.00 0.00 C ATOM 1025 CD GLU B 13 91.145 -27.605 41.167 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.674 -28.031 40.125 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.958 -28.115 42.259 1.00 0.00 O ATOM 0 H GLU B 13 92.407 -24.578 37.535 1.00 0.00 H new ATOM 0 HA GLU B 13 92.232 -23.769 40.252 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.065 -25.741 39.256 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.604 -26.548 39.031 1.00 0.00 H new ATOM 0 HG2 GLU B 13 93.020 -26.569 41.460 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.607 -25.576 41.756 1.00 0.00 H new ATOM 1034 N LYS B 14 95.111 -25.090 39.355 1.00 0.00 N ATOM 1035 CA LYS B 14 96.515 -25.298 39.813 1.00 0.00 C ATOM 1036 C LYS B 14 97.115 -23.974 40.300 1.00 0.00 C ATOM 1037 O LYS B 14 97.828 -23.937 41.283 1.00 0.00 O ATOM 1038 CB LYS B 14 97.344 -25.837 38.646 1.00 0.00 C ATOM 1039 CG LYS B 14 98.741 -26.229 39.134 1.00 0.00 C ATOM 1040 CD LYS B 14 99.557 -26.765 37.956 1.00 0.00 C ATOM 1041 CE LYS B 14 100.962 -27.139 38.429 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.675 -25.911 38.883 1.00 0.00 N ATOM 0 H LYS B 14 94.938 -25.327 38.378 1.00 0.00 H new ATOM 0 HA LYS B 14 96.524 -26.011 40.637 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.848 -26.702 38.205 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.421 -25.081 37.864 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.240 -25.366 39.574 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.667 -26.986 39.914 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.064 -27.637 37.526 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.616 -26.012 37.170 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.903 -27.861 39.244 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.515 -27.616 37.620 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.700 -26.084 38.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.456 -25.124 38.239 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.367 -25.667 39.846 1.00 0.00 H new ATOM 1056 N TYR B 15 96.845 -22.887 39.626 1.00 0.00 N ATOM 1057 CA TYR B 15 97.420 -21.580 40.069 1.00 0.00 C ATOM 1058 C TYR B 15 96.513 -20.953 41.130 1.00 0.00 C ATOM 1059 O TYR B 15 96.927 -20.092 41.879 1.00 0.00 O ATOM 1060 CB TYR B 15 97.530 -20.638 38.870 1.00 0.00 C ATOM 1061 CG TYR B 15 98.511 -21.211 37.876 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.886 -21.144 38.133 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.048 -21.817 36.700 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.797 -21.680 37.216 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.960 -22.353 35.784 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.335 -22.285 36.041 1.00 0.00 C ATOM 1067 OH TYR B 15 101.233 -22.813 35.137 1.00 0.00 O ATOM 0 H TYR B 15 96.256 -22.846 38.794 1.00 0.00 H new ATOM 0 HA TYR B 15 98.410 -21.746 40.493 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.554 -20.510 38.403 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.859 -19.652 39.197 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.244 -20.678 39.040 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.988 -21.870 36.501 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.857 -21.627 37.415 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.603 -22.820 34.878 1.00 0.00 H new ATOM 0 HH TYR B 15 101.927 -22.150 34.940 1.00 0.00 H new ATOM 1077 N HIS B 16 95.284 -21.385 41.203 1.00 0.00 N ATOM 1078 CA HIS B 16 94.348 -20.829 42.224 1.00 0.00 C ATOM 1079 C HIS B 16 94.238 -19.309 42.062 1.00 0.00 C ATOM 1080 O HIS B 16 93.918 -18.810 41.001 1.00 0.00 O ATOM 1081 CB HIS B 16 94.858 -21.168 43.630 1.00 0.00 C ATOM 1082 CG HIS B 16 95.117 -22.648 43.726 1.00 0.00 C ATOM 1083 ND1 HIS B 16 96.376 -23.195 43.509 1.00 0.00 N ATOM 1084 CD2 HIS B 16 94.294 -23.707 44.017 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.273 -24.527 43.671 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.026 -24.888 43.981 1.00 0.00 N ATOM 0 H HIS B 16 94.885 -22.102 40.597 1.00 0.00 H new ATOM 0 HA HIS B 16 93.362 -21.271 42.083 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.773 -20.613 43.840 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.124 -20.867 44.377 1.00 0.00 H new ATOM 0 HD2 HIS B 16 93.240 -23.634 44.240 1.00 0.00 H new ATOM 0 HE1 HIS B 16 97.096 -25.218 43.564 1.00 0.00 H new ATOM 0 HE2 HIS B 16 94.682 -25.832 44.155 1.00 0.00 H new ATOM 1095 N SER B 17 94.491 -18.569 43.111 1.00 0.00 N ATOM 1096 CA SER B 17 94.390 -17.081 43.029 1.00 0.00 C ATOM 1097 C SER B 17 95.708 -16.481 42.530 1.00 0.00 C ATOM 1098 O SER B 17 95.802 -15.293 42.296 1.00 0.00 O ATOM 1099 CB SER B 17 94.072 -16.514 44.414 1.00 0.00 C ATOM 1100 OG SER B 17 94.335 -15.118 44.420 1.00 0.00 O ATOM 0 H SER B 17 94.764 -18.933 44.024 1.00 0.00 H new ATOM 0 HA SER B 17 93.595 -16.823 42.329 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.028 -16.700 44.665 1.00 0.00 H new ATOM 0 HB3 SER B 17 94.676 -17.013 45.172 1.00 0.00 H new ATOM 0 HG SER B 17 94.567 -14.825 43.514 1.00 0.00 H new ATOM 1106 N ASN B 18 96.730 -17.278 42.366 1.00 0.00 N ATOM 1107 CA ASN B 18 98.025 -16.713 41.886 1.00 0.00 C ATOM 1108 C ASN B 18 97.944 -16.474 40.380 1.00 0.00 C ATOM 1109 O ASN B 18 98.595 -17.140 39.601 1.00 0.00 O ATOM 1110 CB ASN B 18 99.171 -17.690 42.171 1.00 0.00 C ATOM 1111 CG ASN B 18 99.527 -17.660 43.656 1.00 0.00 C ATOM 1112 OD1 ASN B 18 99.180 -16.733 44.360 1.00 0.00 O ATOM 1113 ND2 ASN B 18 100.231 -18.635 44.159 1.00 0.00 N ATOM 0 H ASN B 18 96.726 -18.283 42.541 1.00 0.00 H new ATOM 0 HA ASN B 18 98.214 -15.775 42.408 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.881 -18.699 41.879 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.043 -17.424 41.574 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.491 -18.620 45.145 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.522 -19.413 43.566 1.00 0.00 H new ATOM 1120 N TRP B 19 97.160 -15.519 39.963 1.00 0.00 N ATOM 1121 CA TRP B 19 97.061 -15.237 38.509 1.00 0.00 C ATOM 1122 C TRP B 19 98.381 -14.622 38.041 1.00 0.00 C ATOM 1123 O TRP B 19 98.711 -14.646 36.872 1.00 0.00 O ATOM 1124 CB TRP B 19 95.902 -14.272 38.248 1.00 0.00 C ATOM 1125 CG TRP B 19 96.132 -12.998 38.990 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.712 -12.745 40.250 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.825 -11.799 38.541 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.103 -11.468 40.605 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.793 -10.843 39.584 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.471 -11.452 37.343 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.382 -9.587 39.442 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.065 -10.190 37.196 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.021 -9.258 38.243 1.00 0.00 C ATOM 0 H TRP B 19 96.588 -14.926 40.564 1.00 0.00 H new ATOM 0 HA TRP B 19 96.872 -16.159 37.959 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.816 -14.072 37.180 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.962 -14.724 38.564 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.160 -13.430 40.877 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.906 -11.039 41.510 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.511 -12.162 36.530 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.345 -8.874 40.252 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.559 -9.934 36.271 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.480 -8.288 38.123 1.00 0.00 H new ATOM 1144 N ARG B 20 99.150 -14.085 38.954 1.00 0.00 N ATOM 1145 CA ARG B 20 100.461 -13.486 38.568 1.00 0.00 C ATOM 1146 C ARG B 20 101.339 -14.567 37.940 1.00 0.00 C ATOM 1147 O ARG B 20 102.035 -14.334 36.971 1.00 0.00 O ATOM 1148 CB ARG B 20 101.162 -12.941 39.820 1.00 0.00 C ATOM 1149 CG ARG B 20 100.432 -11.699 40.355 1.00 0.00 C ATOM 1150 CD ARG B 20 100.821 -10.455 39.542 1.00 0.00 C ATOM 1151 NE ARG B 20 100.291 -9.236 40.218 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.737 -8.057 39.876 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.661 -7.948 38.960 1.00 0.00 N ATOM 1154 NH2 ARG B 20 100.261 -6.987 40.452 1.00 0.00 N ATOM 0 H ARG B 20 98.926 -14.036 39.948 1.00 0.00 H new ATOM 0 HA ARG B 20 100.297 -12.677 37.856 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.192 -13.711 40.591 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.195 -12.687 39.583 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.354 -11.853 40.303 1.00 0.00 H new ATOM 0 HG3 ARG B 20 100.682 -11.547 41.405 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.905 -10.391 39.451 1.00 0.00 H new ATOM 0 HD3 ARG B 20 100.420 -10.527 38.531 1.00 0.00 H new ATOM 0 HE ARG B 20 99.582 -9.323 40.946 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.035 -8.784 38.511 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.009 -7.027 38.693 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.541 -7.071 41.169 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.609 -6.066 40.185 1.00 0.00 H new ATOM 1168 N ALA B 21 101.308 -15.752 38.483 1.00 0.00 N ATOM 1169 CA ALA B 21 102.135 -16.856 37.921 1.00 0.00 C ATOM 1170 C ALA B 21 101.623 -17.195 36.522 1.00 0.00 C ATOM 1171 O ALA B 21 102.386 -17.450 35.612 1.00 0.00 O ATOM 1172 CB ALA B 21 102.027 -18.088 38.823 1.00 0.00 C ATOM 0 H ALA B 21 100.744 -16.004 39.294 1.00 0.00 H new ATOM 0 HA ALA B 21 103.178 -16.546 37.866 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.633 -18.895 38.411 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.385 -17.840 39.822 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.986 -18.408 38.879 1.00 0.00 H new ATOM 1178 N MET B 22 100.331 -17.196 36.345 1.00 0.00 N ATOM 1179 CA MET B 22 99.758 -17.514 35.009 1.00 0.00 C ATOM 1180 C MET B 22 100.268 -16.499 33.982 1.00 0.00 C ATOM 1181 O MET B 22 100.727 -16.857 32.916 1.00 0.00 O ATOM 1182 CB MET B 22 98.233 -17.420 35.090 1.00 0.00 C ATOM 1183 CG MET B 22 97.606 -17.961 33.803 1.00 0.00 C ATOM 1184 SD MET B 22 95.895 -17.385 33.689 1.00 0.00 S ATOM 1185 CE MET B 22 95.343 -17.958 35.312 1.00 0.00 C ATOM 0 H MET B 22 99.646 -16.989 37.071 1.00 0.00 H new ATOM 0 HA MET B 22 100.056 -18.519 34.709 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.871 -17.987 35.947 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.932 -16.384 35.243 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.175 -17.623 32.937 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.637 -19.051 33.799 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.265 -18.116 35.295 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.843 -18.895 35.556 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.588 -17.209 36.065 1.00 0.00 H new ATOM 1195 N ALA B 23 100.190 -15.235 34.297 1.00 0.00 N ATOM 1196 CA ALA B 23 100.667 -14.195 33.343 1.00 0.00 C ATOM 1197 C ALA B 23 102.153 -14.417 33.046 1.00 0.00 C ATOM 1198 O ALA B 23 102.604 -14.264 31.929 1.00 0.00 O ATOM 1199 CB ALA B 23 100.465 -12.808 33.959 1.00 0.00 C ATOM 0 H ALA B 23 99.816 -14.877 35.176 1.00 0.00 H new ATOM 0 HA ALA B 23 100.100 -14.264 32.414 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.814 -12.046 33.262 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.406 -12.653 34.167 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.031 -12.736 34.888 1.00 0.00 H new ATOM 1205 N SER B 24 102.916 -14.764 34.045 1.00 0.00 N ATOM 1206 CA SER B 24 104.373 -14.986 33.832 1.00 0.00 C ATOM 1207 C SER B 24 104.596 -16.206 32.935 1.00 0.00 C ATOM 1208 O SER B 24 105.492 -16.228 32.114 1.00 0.00 O ATOM 1209 CB SER B 24 105.053 -15.218 35.182 1.00 0.00 C ATOM 1210 OG SER B 24 106.463 -15.240 34.999 1.00 0.00 O ATOM 0 H SER B 24 102.592 -14.904 35.002 1.00 0.00 H new ATOM 0 HA SER B 24 104.800 -14.107 33.349 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.778 -14.429 35.882 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.716 -16.160 35.615 1.00 0.00 H new ATOM 0 HG SER B 24 106.903 -15.387 35.862 1.00 0.00 H new ATOM 1216 N ASP B 25 103.802 -17.229 33.094 1.00 0.00 N ATOM 1217 CA ASP B 25 103.987 -18.453 32.260 1.00 0.00 C ATOM 1218 C ASP B 25 103.596 -18.172 30.807 1.00 0.00 C ATOM 1219 O ASP B 25 104.248 -18.619 29.884 1.00 0.00 O ATOM 1220 CB ASP B 25 103.097 -19.567 32.809 1.00 0.00 C ATOM 1221 CG ASP B 25 103.640 -20.041 34.158 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.822 -19.853 34.397 1.00 0.00 O ATOM 1223 OD2 ASP B 25 102.865 -20.578 34.932 1.00 0.00 O ATOM 0 H ASP B 25 103.034 -17.272 33.764 1.00 0.00 H new ATOM 0 HA ASP B 25 105.035 -18.752 32.294 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.075 -19.206 32.924 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.064 -20.399 32.106 1.00 0.00 H new ATOM 1228 N PHE B 26 102.540 -17.433 30.596 1.00 0.00 N ATOM 1229 CA PHE B 26 102.102 -17.117 29.199 1.00 0.00 C ATOM 1230 C PHE B 26 102.595 -15.719 28.811 1.00 0.00 C ATOM 1231 O PHE B 26 102.364 -15.252 27.713 1.00 0.00 O ATOM 1232 CB PHE B 26 100.574 -17.170 29.122 1.00 0.00 C ATOM 1233 CG PHE B 26 100.110 -18.605 29.245 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.839 -19.152 30.505 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.943 -19.386 28.093 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.402 -20.480 30.613 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.508 -20.712 28.201 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.238 -21.261 29.460 1.00 0.00 C ATOM 0 H PHE B 26 101.958 -17.032 31.331 1.00 0.00 H new ATOM 0 HA PHE B 26 102.523 -17.848 28.509 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.138 -16.567 29.918 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.232 -16.746 28.178 1.00 0.00 H new ATOM 0 HD1 PHE B 26 99.966 -18.551 31.393 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.150 -18.964 27.121 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.192 -20.902 31.585 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.381 -21.312 27.312 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.904 -22.285 29.543 1.00 0.00 H new ATOM 1248 N ASN B 27 103.282 -15.055 29.702 1.00 0.00 N ATOM 1249 CA ASN B 27 103.808 -13.693 29.389 1.00 0.00 C ATOM 1250 C ASN B 27 102.675 -12.787 28.890 1.00 0.00 C ATOM 1251 O ASN B 27 102.809 -12.125 27.879 1.00 0.00 O ATOM 1252 CB ASN B 27 104.882 -13.799 28.301 1.00 0.00 C ATOM 1253 CG ASN B 27 106.030 -14.688 28.786 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.181 -14.907 30.063 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 106.797 -15.194 27.990 1.00 0.00 N flip ATOM 0 H ASN B 27 103.503 -15.398 30.637 1.00 0.00 H new ATOM 0 HA ASN B 27 104.236 -13.264 30.295 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.450 -14.213 27.390 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.259 -12.807 28.052 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.681 -15.024 26.991 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.557 -15.789 28.321 1.00 0.00 H new ATOM 1262 N LEU B 28 101.564 -12.748 29.590 1.00 0.00 N ATOM 1263 CA LEU B 28 100.411 -11.880 29.161 1.00 0.00 C ATOM 1264 C LEU B 28 100.125 -10.840 30.255 1.00 0.00 C ATOM 1265 O LEU B 28 100.372 -11.087 31.419 1.00 0.00 O ATOM 1266 CB LEU B 28 99.165 -12.757 28.977 1.00 0.00 C ATOM 1267 CG LEU B 28 99.327 -13.666 27.743 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.364 -14.852 27.854 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.001 -12.889 26.459 1.00 0.00 C ATOM 0 H LEU B 28 101.403 -13.281 30.444 1.00 0.00 H new ATOM 0 HA LEU B 28 100.659 -11.378 28.226 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.006 -13.366 29.867 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.283 -12.127 28.860 1.00 0.00 H new ATOM 0 HG LEU B 28 100.358 -14.016 27.703 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.478 -15.496 26.982 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.589 -15.420 28.756 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.339 -14.485 27.903 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.120 -13.545 25.597 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.973 -12.530 26.502 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.678 -12.040 26.366 1.00 0.00 H new ATOM 1281 N PRO B 29 99.603 -9.684 29.900 1.00 0.00 N ATOM 1282 CA PRO B 29 99.287 -8.616 30.894 1.00 0.00 C ATOM 1283 C PRO B 29 98.060 -8.977 31.762 1.00 0.00 C ATOM 1284 O PRO B 29 97.213 -9.741 31.346 1.00 0.00 O ATOM 1285 CB PRO B 29 99.004 -7.384 30.023 1.00 0.00 C ATOM 1286 CG PRO B 29 98.506 -7.945 28.731 1.00 0.00 C ATOM 1287 CD PRO B 29 99.260 -9.261 28.526 1.00 0.00 C ATOM 0 HA PRO B 29 100.098 -8.461 31.605 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.262 -6.733 30.485 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.904 -6.787 29.876 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.430 -8.113 28.767 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.693 -7.255 27.908 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.641 -10.003 28.021 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.152 -9.121 27.915 1.00 0.00 H new ATOM 1295 N PRO B 30 97.966 -8.433 32.955 1.00 0.00 N ATOM 1296 CA PRO B 30 96.825 -8.707 33.883 1.00 0.00 C ATOM 1297 C PRO B 30 95.452 -8.759 33.188 1.00 0.00 C ATOM 1298 O PRO B 30 94.523 -9.360 33.690 1.00 0.00 O ATOM 1299 CB PRO B 30 96.877 -7.526 34.860 1.00 0.00 C ATOM 1300 CG PRO B 30 98.321 -7.134 34.924 1.00 0.00 C ATOM 1301 CD PRO B 30 98.937 -7.497 33.563 1.00 0.00 C ATOM 0 HA PRO B 30 96.926 -9.688 34.347 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.259 -6.699 34.511 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.502 -7.811 35.843 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.424 -6.067 35.124 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.830 -7.660 35.732 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.078 -6.612 32.942 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.916 -7.962 33.682 1.00 0.00 H new ATOM 1309 N VAL B 31 95.304 -8.118 32.062 1.00 0.00 N ATOM 1310 CA VAL B 31 93.973 -8.122 31.380 1.00 0.00 C ATOM 1311 C VAL B 31 93.551 -9.554 31.035 1.00 0.00 C ATOM 1312 O VAL B 31 92.439 -9.962 31.306 1.00 0.00 O ATOM 1313 CB VAL B 31 94.059 -7.296 30.085 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.786 -7.491 29.247 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.210 -5.813 30.432 1.00 0.00 C ATOM 0 H VAL B 31 96.038 -7.595 31.585 1.00 0.00 H new ATOM 0 HA VAL B 31 93.234 -7.687 32.053 1.00 0.00 H new ATOM 0 HB VAL B 31 94.922 -7.631 29.510 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.858 -6.902 28.333 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.677 -8.545 28.991 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.919 -7.165 29.821 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.271 -5.229 29.514 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.348 -5.486 31.014 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.119 -5.667 31.016 1.00 0.00 H new ATOM 1325 N VAL B 32 94.410 -10.309 30.417 1.00 0.00 N ATOM 1326 CA VAL B 32 94.029 -11.695 30.032 1.00 0.00 C ATOM 1327 C VAL B 32 94.018 -12.628 31.250 1.00 0.00 C ATOM 1328 O VAL B 32 93.148 -13.466 31.385 1.00 0.00 O ATOM 1329 CB VAL B 32 95.018 -12.221 28.995 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.619 -13.640 28.586 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.000 -11.307 27.767 1.00 0.00 C ATOM 0 H VAL B 32 95.357 -10.029 30.162 1.00 0.00 H new ATOM 0 HA VAL B 32 93.023 -11.671 29.613 1.00 0.00 H new ATOM 0 HB VAL B 32 96.021 -12.236 29.420 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.324 -14.017 27.845 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.632 -14.288 29.462 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.616 -13.627 28.159 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.706 -11.681 27.025 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.998 -11.292 27.339 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.284 -10.297 28.061 1.00 0.00 H new ATOM 1341 N ALA B 33 94.979 -12.512 32.127 1.00 0.00 N ATOM 1342 CA ALA B 33 95.008 -13.420 33.313 1.00 0.00 C ATOM 1343 C ALA B 33 93.763 -13.198 34.171 1.00 0.00 C ATOM 1344 O ALA B 33 93.076 -14.131 34.537 1.00 0.00 O ATOM 1345 CB ALA B 33 96.261 -13.145 34.143 1.00 0.00 C ATOM 0 H ALA B 33 95.740 -11.834 32.076 1.00 0.00 H new ATOM 0 HA ALA B 33 95.024 -14.454 32.969 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.278 -13.809 35.007 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.147 -13.320 33.533 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.253 -12.109 34.482 1.00 0.00 H new ATOM 1351 N LYS B 34 93.461 -11.973 34.488 1.00 0.00 N ATOM 1352 CA LYS B 34 92.254 -11.695 35.314 1.00 0.00 C ATOM 1353 C LYS B 34 91.009 -12.206 34.590 1.00 0.00 C ATOM 1354 O LYS B 34 90.104 -12.744 35.196 1.00 0.00 O ATOM 1355 CB LYS B 34 92.123 -10.190 35.560 1.00 0.00 C ATOM 1356 CG LYS B 34 93.191 -9.737 36.559 1.00 0.00 C ATOM 1357 CD LYS B 34 93.053 -8.231 36.799 1.00 0.00 C ATOM 1358 CE LYS B 34 94.116 -7.764 37.799 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.288 -6.288 37.683 1.00 0.00 N ATOM 0 H LYS B 34 93.997 -11.151 34.211 1.00 0.00 H new ATOM 0 HA LYS B 34 92.353 -12.205 36.272 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.235 -9.647 34.622 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.130 -9.960 35.945 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.080 -10.278 37.498 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.185 -9.966 36.175 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.164 -7.692 35.858 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.057 -8.004 37.180 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.818 -8.028 38.814 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.062 -8.268 37.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.009 -5.968 38.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.590 -6.049 36.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.385 -5.816 37.890 1.00 0.00 H new ATOM 1373 N GLU B 35 90.949 -12.029 33.301 1.00 0.00 N ATOM 1374 CA GLU B 35 89.753 -12.491 32.540 1.00 0.00 C ATOM 1375 C GLU B 35 89.581 -14.004 32.705 1.00 0.00 C ATOM 1376 O GLU B 35 88.480 -14.495 32.854 1.00 0.00 O ATOM 1377 CB GLU B 35 89.945 -12.165 31.057 1.00 0.00 C ATOM 1378 CG GLU B 35 88.634 -12.402 30.296 1.00 0.00 C ATOM 1379 CD GLU B 35 88.422 -13.903 30.071 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.393 -14.639 30.133 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.290 -14.290 29.835 1.00 0.00 O ATOM 0 H GLU B 35 91.676 -11.585 32.740 1.00 0.00 H new ATOM 0 HA GLU B 35 88.866 -11.985 32.922 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.260 -11.128 30.942 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.736 -12.787 30.638 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.797 -11.989 30.859 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.661 -11.883 29.338 1.00 0.00 H new ATOM 1388 N ILE B 36 90.652 -14.750 32.683 1.00 0.00 N ATOM 1389 CA ILE B 36 90.525 -16.226 32.842 1.00 0.00 C ATOM 1390 C ILE B 36 89.895 -16.522 34.203 1.00 0.00 C ATOM 1391 O ILE B 36 89.000 -17.335 34.324 1.00 0.00 O ATOM 1392 CB ILE B 36 91.911 -16.870 32.748 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.437 -16.701 31.316 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.813 -18.363 33.091 1.00 0.00 C ATOM 1395 CD1 ILE B 36 93.912 -17.107 31.253 1.00 0.00 C ATOM 0 H ILE B 36 91.604 -14.404 32.563 1.00 0.00 H new ATOM 0 HA ILE B 36 89.894 -16.637 32.054 1.00 0.00 H new ATOM 0 HB ILE B 36 92.591 -16.390 33.452 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.852 -17.313 30.630 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.322 -15.665 30.996 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.801 -18.818 33.023 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.429 -18.479 34.105 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.139 -18.854 32.389 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.280 -16.985 30.234 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.492 -16.476 31.926 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.016 -18.150 31.554 1.00 0.00 H new ATOM 1407 N VAL B 37 90.337 -15.843 35.222 1.00 0.00 N ATOM 1408 CA VAL B 37 89.754 -16.048 36.577 1.00 0.00 C ATOM 1409 C VAL B 37 88.288 -15.608 36.528 1.00 0.00 C ATOM 1410 O VAL B 37 87.422 -16.209 37.132 1.00 0.00 O ATOM 1411 CB VAL B 37 90.529 -15.189 37.583 1.00 0.00 C ATOM 1412 CG1 VAL B 37 90.039 -15.472 39.006 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.021 -15.519 37.483 1.00 0.00 C ATOM 0 H VAL B 37 91.083 -15.149 35.175 1.00 0.00 H new ATOM 0 HA VAL B 37 89.818 -17.093 36.880 1.00 0.00 H new ATOM 0 HB VAL B 37 90.366 -14.136 37.355 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.596 -14.856 39.712 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.977 -15.237 39.079 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.194 -16.525 39.242 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.577 -14.911 38.197 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.176 -16.574 37.708 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.374 -15.307 36.474 1.00 0.00 H new ATOM 1423 N ALA B 38 88.017 -14.554 35.810 1.00 0.00 N ATOM 1424 CA ALA B 38 86.621 -14.041 35.704 1.00 0.00 C ATOM 1425 C ALA B 38 85.690 -15.099 35.098 1.00 0.00 C ATOM 1426 O ALA B 38 84.494 -15.066 35.307 1.00 0.00 O ATOM 1427 CB ALA B 38 86.609 -12.802 34.808 1.00 0.00 C ATOM 0 H ALA B 38 88.710 -14.020 35.286 1.00 0.00 H new ATOM 0 HA ALA B 38 86.267 -13.795 36.705 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.591 -12.422 34.726 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.250 -12.034 35.241 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.978 -13.066 33.817 1.00 0.00 H new ATOM 1433 N SER B 39 86.209 -16.025 34.331 1.00 0.00 N ATOM 1434 CA SER B 39 85.319 -17.052 33.703 1.00 0.00 C ATOM 1435 C SER B 39 85.215 -18.284 34.602 1.00 0.00 C ATOM 1436 O SER B 39 84.207 -18.962 34.618 1.00 0.00 O ATOM 1437 CB SER B 39 85.897 -17.467 32.350 1.00 0.00 C ATOM 1438 OG SER B 39 85.957 -16.332 31.498 1.00 0.00 O ATOM 0 H SER B 39 87.201 -16.115 34.113 1.00 0.00 H new ATOM 0 HA SER B 39 84.326 -16.622 33.569 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.893 -17.891 32.481 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.278 -18.242 31.899 1.00 0.00 H new ATOM 0 HG SER B 39 86.894 -16.100 31.328 1.00 0.00 H new ATOM 1444 N CYS B 40 86.230 -18.578 35.361 1.00 0.00 N ATOM 1445 CA CYS B 40 86.147 -19.762 36.257 1.00 0.00 C ATOM 1446 C CYS B 40 84.970 -19.563 37.214 1.00 0.00 C ATOM 1447 O CYS B 40 84.782 -18.496 37.763 1.00 0.00 O ATOM 1448 CB CYS B 40 87.445 -19.891 37.054 1.00 0.00 C ATOM 1449 SG CYS B 40 87.528 -21.526 37.823 1.00 0.00 S ATOM 0 H CYS B 40 87.105 -18.056 35.401 1.00 0.00 H new ATOM 0 HA CYS B 40 86.001 -20.669 35.670 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.302 -19.743 36.397 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.492 -19.116 37.819 1.00 0.00 H new ATOM 1454 N ASP B 41 84.165 -20.571 37.410 1.00 0.00 N ATOM 1455 CA ASP B 41 82.998 -20.414 38.324 1.00 0.00 C ATOM 1456 C ASP B 41 83.460 -20.497 39.780 1.00 0.00 C ATOM 1457 O ASP B 41 82.837 -19.950 40.668 1.00 0.00 O ATOM 1458 CB ASP B 41 81.983 -21.526 38.050 1.00 0.00 C ATOM 1459 CG ASP B 41 81.323 -21.294 36.690 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.371 -20.171 36.215 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.783 -22.244 36.146 1.00 0.00 O ATOM 0 H ASP B 41 84.263 -21.491 36.980 1.00 0.00 H new ATOM 0 HA ASP B 41 82.536 -19.442 38.149 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.479 -22.497 38.064 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.226 -21.543 38.835 1.00 0.00 H new ATOM 1466 N LYS B 42 84.538 -21.184 40.037 1.00 0.00 N ATOM 1467 CA LYS B 42 85.021 -21.305 41.442 1.00 0.00 C ATOM 1468 C LYS B 42 85.658 -19.983 41.891 1.00 0.00 C ATOM 1469 O LYS B 42 85.486 -19.553 43.014 1.00 0.00 O ATOM 1470 CB LYS B 42 86.069 -22.419 41.524 1.00 0.00 C ATOM 1471 CG LYS B 42 85.469 -23.752 41.055 1.00 0.00 C ATOM 1472 CD LYS B 42 84.413 -24.251 42.054 1.00 0.00 C ATOM 1473 CE LYS B 42 84.187 -25.753 41.855 1.00 0.00 C ATOM 1474 NZ LYS B 42 82.956 -26.174 42.582 1.00 0.00 N ATOM 0 H LYS B 42 85.104 -21.665 39.338 1.00 0.00 H new ATOM 0 HA LYS B 42 84.177 -21.539 42.091 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.930 -22.163 40.907 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.428 -22.515 42.549 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.017 -23.627 40.071 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.259 -24.496 40.951 1.00 0.00 H new ATOM 0 HD2 LYS B 42 84.742 -24.054 43.075 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.478 -23.710 41.911 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.090 -25.979 40.793 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.048 -26.312 42.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 82.804 -27.194 42.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.066 -25.973 43.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 82.138 -25.650 42.212 1.00 0.00 H new ATOM 1488 N CYS B 43 86.400 -19.339 41.026 1.00 0.00 N ATOM 1489 CA CYS B 43 87.056 -18.050 41.408 1.00 0.00 C ATOM 1490 C CYS B 43 86.092 -16.880 41.202 1.00 0.00 C ATOM 1491 O CYS B 43 86.424 -15.741 41.467 1.00 0.00 O ATOM 1492 CB CYS B 43 88.305 -17.829 40.556 1.00 0.00 C ATOM 1493 SG CYS B 43 89.400 -19.265 40.701 1.00 0.00 S ATOM 0 H CYS B 43 86.580 -19.650 40.071 1.00 0.00 H new ATOM 0 HA CYS B 43 87.335 -18.103 42.460 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.024 -17.676 39.514 1.00 0.00 H new ATOM 0 HB3 CYS B 43 88.825 -16.928 40.881 1.00 0.00 H new ATOM 1498 N GLN B 44 84.908 -17.139 40.721 1.00 0.00 N ATOM 1499 CA GLN B 44 83.945 -16.023 40.490 1.00 0.00 C ATOM 1500 C GLN B 44 83.498 -15.440 41.835 1.00 0.00 C ATOM 1501 O GLN B 44 83.611 -14.255 42.076 1.00 0.00 O ATOM 1502 CB GLN B 44 82.726 -16.560 39.732 1.00 0.00 C ATOM 1503 CG GLN B 44 81.759 -15.416 39.399 1.00 0.00 C ATOM 1504 CD GLN B 44 82.444 -14.394 38.489 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.051 -14.752 37.500 1.00 0.00 O ATOM 1506 NE2 GLN B 44 82.362 -13.124 38.782 1.00 0.00 N ATOM 0 H GLN B 44 84.566 -18.069 40.479 1.00 0.00 H new ATOM 0 HA GLN B 44 84.426 -15.240 39.904 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.048 -17.052 38.814 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.217 -17.312 40.335 1.00 0.00 H new ATOM 0 HG2 GLN B 44 80.870 -15.813 38.908 1.00 0.00 H new ATOM 0 HG3 GLN B 44 81.427 -14.932 40.317 1.00 0.00 H new ATOM 0 HE21 GLN B 44 81.852 -12.824 39.613 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.808 -12.432 38.180 1.00 0.00 H new ATOM 1515 N LEU B 45 82.995 -16.265 42.712 1.00 0.00 N ATOM 1516 CA LEU B 45 82.541 -15.763 44.046 1.00 0.00 C ATOM 1517 C LEU B 45 83.714 -15.761 45.028 1.00 0.00 C ATOM 1518 O LEU B 45 84.532 -16.660 45.035 1.00 0.00 O ATOM 1519 CB LEU B 45 81.439 -16.676 44.590 1.00 0.00 C ATOM 1520 CG LEU B 45 80.238 -16.685 43.636 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.198 -17.683 44.155 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.613 -15.279 43.555 1.00 0.00 C ATOM 0 H LEU B 45 82.877 -17.267 42.565 1.00 0.00 H new ATOM 0 HA LEU B 45 82.159 -14.749 43.931 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.823 -17.689 44.712 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.126 -16.333 45.576 1.00 0.00 H new ATOM 0 HG LEU B 45 80.569 -16.978 42.640 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.340 -17.697 43.483 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.640 -18.679 44.200 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.874 -17.385 45.152 1.00 0.00 H new ATOM 0 HD21 LEU B 45 78.761 -15.298 42.875 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.279 -14.972 44.546 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.356 -14.571 43.187 1.00 0.00 H new ATOM 1534 N LYS B 46 83.797 -14.764 45.867 1.00 0.00 N ATOM 1535 CA LYS B 46 84.909 -14.714 46.858 1.00 0.00 C ATOM 1536 C LYS B 46 84.559 -15.596 48.060 1.00 0.00 C ATOM 1537 O LYS B 46 83.504 -15.467 48.650 1.00 0.00 O ATOM 1538 CB LYS B 46 85.112 -13.271 47.326 1.00 0.00 C ATOM 1539 CG LYS B 46 85.698 -12.442 46.180 1.00 0.00 C ATOM 1540 CD LYS B 46 85.972 -11.008 46.654 1.00 0.00 C ATOM 1541 CE LYS B 46 84.664 -10.308 47.049 1.00 0.00 C ATOM 1542 NZ LYS B 46 83.577 -10.688 46.102 1.00 0.00 N ATOM 0 H LYS B 46 83.143 -13.982 45.909 1.00 0.00 H new ATOM 0 HA LYS B 46 85.826 -15.077 46.394 1.00 0.00 H new ATOM 0 HB2 LYS B 46 84.162 -12.845 47.649 1.00 0.00 H new ATOM 0 HB3 LYS B 46 85.781 -13.247 48.186 1.00 0.00 H new ATOM 0 HG2 LYS B 46 86.622 -12.899 45.825 1.00 0.00 H new ATOM 0 HG3 LYS B 46 85.005 -12.429 45.339 1.00 0.00 H new ATOM 0 HD2 LYS B 46 86.653 -11.025 47.505 1.00 0.00 H new ATOM 0 HD3 LYS B 46 86.466 -10.446 45.862 1.00 0.00 H new ATOM 0 HE2 LYS B 46 84.386 -10.586 48.066 1.00 0.00 H new ATOM 0 HE3 LYS B 46 84.803 -9.227 47.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 82.821 -9.975 46.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 83.960 -10.738 45.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 83.191 -11.616 46.370 1.00 0.00 H new ATOM 1556 N GLY B 47 85.435 -16.490 48.430 1.00 0.00 N ATOM 1557 CA GLY B 47 85.153 -17.377 49.596 1.00 0.00 C ATOM 1558 C GLY B 47 83.752 -17.976 49.462 1.00 0.00 C ATOM 1559 O GLY B 47 83.173 -17.993 48.394 1.00 0.00 O ATOM 0 H GLY B 47 86.335 -16.645 47.975 1.00 0.00 H new ATOM 0 HA2 GLY B 47 85.896 -18.173 49.648 1.00 0.00 H new ATOM 0 HA3 GLY B 47 85.229 -16.810 50.524 1.00 0.00 H new ATOM 1563 N GLU B 48 83.199 -18.462 50.541 1.00 0.00 N ATOM 1564 CA GLU B 48 81.832 -19.055 50.481 1.00 0.00 C ATOM 1565 C GLU B 48 80.796 -17.936 50.604 1.00 0.00 C ATOM 1566 O GLU B 48 80.969 -16.999 51.359 1.00 0.00 O ATOM 1567 CB GLU B 48 81.649 -20.039 51.642 1.00 0.00 C ATOM 1568 CG GLU B 48 82.669 -21.174 51.527 1.00 0.00 C ATOM 1569 CD GLU B 48 82.387 -21.994 50.267 1.00 0.00 C ATOM 1570 OE1 GLU B 48 81.276 -22.483 50.140 1.00 0.00 O ATOM 1571 OE2 GLU B 48 83.285 -22.117 49.451 1.00 0.00 O ATOM 0 H GLU B 48 83.636 -18.474 51.463 1.00 0.00 H new ATOM 0 HA GLU B 48 81.703 -19.580 49.535 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.774 -19.521 52.593 1.00 0.00 H new ATOM 0 HB3 GLU B 48 80.637 -20.445 51.631 1.00 0.00 H new ATOM 0 HG2 GLU B 48 83.679 -20.766 51.489 1.00 0.00 H new ATOM 0 HG3 GLU B 48 82.617 -21.814 52.408 1.00 0.00 H new ATOM 1578 N ALA B 49 79.716 -18.024 49.875 1.00 0.00 N ATOM 1579 CA ALA B 49 78.673 -16.962 49.963 1.00 0.00 C ATOM 1580 C ALA B 49 77.965 -17.066 51.316 1.00 0.00 C ATOM 1581 O ALA B 49 78.316 -17.881 52.144 1.00 0.00 O ATOM 1582 CB ALA B 49 77.656 -17.143 48.833 1.00 0.00 C ATOM 0 H ALA B 49 79.511 -18.783 49.225 1.00 0.00 H new ATOM 0 HA ALA B 49 79.139 -15.981 49.868 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.895 -16.365 48.900 1.00 0.00 H new ATOM 0 HB2 ALA B 49 78.164 -17.071 47.871 1.00 0.00 H new ATOM 0 HB3 ALA B 49 77.184 -18.121 48.922 1.00 0.00 H new ATOM 1588 N MET B 50 76.984 -16.233 51.543 1.00 0.00 N ATOM 1589 CA MET B 50 76.243 -16.259 52.841 1.00 0.00 C ATOM 1590 C MET B 50 77.222 -15.998 53.992 1.00 0.00 C ATOM 1591 O MET B 50 76.929 -16.262 55.140 1.00 0.00 O ATOM 1592 CB MET B 50 75.572 -17.628 53.044 1.00 0.00 C ATOM 1593 CG MET B 50 74.691 -17.965 51.837 1.00 0.00 C ATOM 1594 SD MET B 50 73.230 -16.890 51.824 1.00 0.00 S ATOM 1595 CE MET B 50 71.949 -18.171 51.864 1.00 0.00 C ATOM 0 H MET B 50 76.661 -15.529 50.879 1.00 0.00 H new ATOM 0 HA MET B 50 75.475 -15.486 52.825 1.00 0.00 H new ATOM 0 HB2 MET B 50 76.332 -18.398 53.176 1.00 0.00 H new ATOM 0 HB3 MET B 50 74.969 -17.616 53.952 1.00 0.00 H new ATOM 0 HG2 MET B 50 75.257 -17.836 50.915 1.00 0.00 H new ATOM 0 HG3 MET B 50 74.385 -19.010 51.879 1.00 0.00 H new ATOM 0 HE1 MET B 50 70.965 -17.702 51.861 1.00 0.00 H new ATOM 0 HE2 MET B 50 72.048 -18.812 50.988 1.00 0.00 H new ATOM 0 HE3 MET B 50 72.062 -18.771 52.767 1.00 0.00 H new ATOM 1605 N HIS B 51 78.386 -15.477 53.694 1.00 0.00 N ATOM 1606 CA HIS B 51 79.381 -15.195 54.774 1.00 0.00 C ATOM 1607 C HIS B 51 79.127 -13.803 55.356 1.00 0.00 C ATOM 1608 O HIS B 51 79.503 -13.509 56.474 1.00 0.00 O ATOM 1609 CB HIS B 51 80.797 -15.245 54.194 1.00 0.00 C ATOM 1610 CG HIS B 51 80.944 -14.182 53.139 1.00 0.00 C ATOM 1611 ND1 HIS B 51 80.700 -14.432 51.796 1.00 0.00 N ATOM 1612 CD2 HIS B 51 81.304 -12.858 53.216 1.00 0.00 C ATOM 1613 CE1 HIS B 51 80.912 -13.284 51.125 1.00 0.00 C ATOM 1614 NE2 HIS B 51 81.281 -12.298 51.944 1.00 0.00 N ATOM 0 H HIS B 51 78.690 -15.235 52.751 1.00 0.00 H new ATOM 0 HA HIS B 51 79.279 -15.945 55.559 1.00 0.00 H new ATOM 0 HB2 HIS B 51 81.531 -15.092 54.985 1.00 0.00 H new ATOM 0 HB3 HIS B 51 80.991 -16.228 53.765 1.00 0.00 H new ATOM 0 HD1 HIS B 51 80.412 -15.323 51.391 1.00 0.00 H new ATOM 0 HD2 HIS B 51 81.564 -12.334 54.124 1.00 0.00 H new ATOM 0 HE1 HIS B 51 80.798 -13.175 50.057 1.00 0.00 H new ATOM 1623 N GLY B 52 78.509 -12.938 54.600 1.00 0.00 N ATOM 1624 CA GLY B 52 78.245 -11.556 55.099 1.00 0.00 C ATOM 1625 C GLY B 52 76.975 -11.534 55.951 1.00 0.00 C ATOM 1626 O GLY B 52 76.150 -12.423 55.884 1.00 0.00 O ATOM 0 H GLY B 52 78.174 -13.128 53.655 1.00 0.00 H new ATOM 0 HA2 GLY B 52 79.093 -11.206 55.688 1.00 0.00 H new ATOM 0 HA3 GLY B 52 78.138 -10.872 54.257 1.00 0.00 H new ATOM 1630 N GLN B 53 76.813 -10.512 56.747 1.00 0.00 N ATOM 1631 CA GLN B 53 75.598 -10.409 57.605 1.00 0.00 C ATOM 1632 C GLN B 53 75.385 -8.947 58.006 1.00 0.00 C ATOM 1633 O GLN B 53 76.244 -8.320 58.595 1.00 0.00 O ATOM 1634 CB GLN B 53 75.773 -11.270 58.856 1.00 0.00 C ATOM 1635 CG GLN B 53 74.527 -11.145 59.734 1.00 0.00 C ATOM 1636 CD GLN B 53 74.587 -12.176 60.860 1.00 0.00 C ATOM 1637 OE1 GLN B 53 75.333 -13.133 60.786 1.00 0.00 O ATOM 1638 NE2 GLN B 53 73.835 -12.016 61.914 1.00 0.00 N ATOM 0 H GLN B 53 77.473 -9.740 56.840 1.00 0.00 H new ATOM 0 HA GLN B 53 74.729 -10.764 57.050 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.931 -12.311 58.576 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.656 -10.951 59.410 1.00 0.00 H new ATOM 0 HG2 GLN B 53 74.463 -10.140 60.151 1.00 0.00 H new ATOM 0 HG3 GLN B 53 73.630 -11.299 59.134 1.00 0.00 H new ATOM 0 HE21 GLN B 53 73.209 -11.213 61.977 1.00 0.00 H new ATOM 0 HE22 GLN B 53 73.873 -12.694 62.675 1.00 0.00 H new ATOM 1647 N VAL B 54 74.248 -8.394 57.671 1.00 0.00 N ATOM 1648 CA VAL B 54 73.965 -6.964 58.006 1.00 0.00 C ATOM 1649 C VAL B 54 73.112 -6.876 59.277 1.00 0.00 C ATOM 1650 O VAL B 54 72.158 -7.608 59.449 1.00 0.00 O ATOM 1651 CB VAL B 54 73.202 -6.329 56.844 1.00 0.00 C ATOM 1652 CG1 VAL B 54 72.891 -4.866 57.170 1.00 0.00 C ATOM 1653 CG2 VAL B 54 74.061 -6.400 55.578 1.00 0.00 C ATOM 0 H VAL B 54 73.497 -8.875 57.176 1.00 0.00 H new ATOM 0 HA VAL B 54 74.906 -6.440 58.175 1.00 0.00 H new ATOM 0 HB VAL B 54 72.268 -6.867 56.684 1.00 0.00 H new ATOM 0 HG11 VAL B 54 72.347 -4.416 56.340 1.00 0.00 H new ATOM 0 HG12 VAL B 54 72.282 -4.816 58.073 1.00 0.00 H new ATOM 0 HG13 VAL B 54 73.822 -4.323 57.330 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.521 -5.948 54.746 1.00 0.00 H new ATOM 0 HG22 VAL B 54 74.994 -5.861 55.741 1.00 0.00 H new ATOM 0 HG23 VAL B 54 74.280 -7.442 55.345 1.00 0.00 H new ATOM 1663 N ASP B 55 73.448 -5.977 60.168 1.00 0.00 N ATOM 1664 CA ASP B 55 72.655 -5.829 61.425 1.00 0.00 C ATOM 1665 C ASP B 55 71.492 -4.866 61.179 1.00 0.00 C ATOM 1666 O ASP B 55 70.452 -5.057 61.788 1.00 0.00 O ATOM 1667 CB ASP B 55 73.550 -5.264 62.532 1.00 0.00 C ATOM 1668 CG ASP B 55 72.794 -5.294 63.863 1.00 0.00 C ATOM 1669 OD1 ASP B 55 71.718 -4.722 63.925 1.00 0.00 O ATOM 1670 OD2 ASP B 55 73.306 -5.887 64.799 1.00 0.00 O ATOM 1671 OXT ASP B 55 71.661 -3.955 60.387 1.00 0.00 O ATOM 0 H ASP B 55 74.239 -5.339 60.078 1.00 0.00 H new ATOM 0 HA ASP B 55 72.270 -6.803 61.728 1.00 0.00 H new ATOM 0 HB2 ASP B 55 74.466 -5.850 62.608 1.00 0.00 H new ATOM 0 HB3 ASP B 55 73.844 -4.242 62.291 1.00 0.00 H new TER 1676 ASP B 55 HETATM 1677 CD CD A 56 79.702 -2.207 35.908 1.00 0.00 CD HETATM 1678 CD CD B 56 89.832 -21.135 38.917 1.00 0.00 CD