USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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= -4.43! C(o=-8.7!,f=-8.6!) USER MOD Set 1.2: B 44 GLN : amide:sc= -4.27! C(o=-8.7!,f=-8.6!) USER MOD Set 2.1: B 12 HIS : no HD1:sc= -4.28! C(o=-3.6!,f=-4.4!) USER MOD Set 2.2: B 16 HIS : no HD1:sc= 0.00544 K(o=-3.6,f=-4.5) USER MOD Set 2.3: B 22 MET CE :methyl -162:sc= -0.325 (180deg=-1.74) USER MOD Set 2.4: B 40 CYS SG : rot -142:sc= 0.926 USER MOD Set 2.5: B 43 CYS SG : rot -170:sc= 0.0483 USER MOD Set 3.1: A 12 HIS : no HD1:sc= -4.09! C(o=-3.3!,f=-4.3!) USER MOD Set 3.2: A 16 HIS : no HD1:sc= 0.00568 K(o=-3.3,f=-4.3) USER MOD Set 3.3: A 22 MET CE :methyl -162:sc= -0.226 (180deg=-1.48) USER MOD Set 3.4: A 40 CYS SG : rot -143:sc= 0.983 USER MOD Set 3.5: A 43 CYS SG : rot -170:sc= 0.0704 USER MOD Single : A 1 PHE N :NH3+ 165:sc= 0.565 (180deg=0.343) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -170:sc= -0.684 USER MOD Single : A 18 ASN :FLIP amide:sc=-0.00528 F(o=-0.84,f=-0.0053) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= -0.163 (180deg=-0.906) USER MOD Single : B 1 PHE N :NH3+ 163:sc= 0.479 (180deg=0.355) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -170:sc= -0.63 USER MOD Single : B 18 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.151 K(o=-0.15,f=-2.2!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 71:sc= 0.00621 USER MOD Single : B 42 LYS NZ :NH3+ 156:sc= -0.123 (180deg=-0.811) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.416 -3.545 24.220 1.00 0.00 N ATOM 2 CA PHE A 1 94.590 -4.121 25.314 1.00 0.00 C ATOM 3 C PHE A 1 94.105 -3.005 26.243 1.00 0.00 C ATOM 4 O PHE A 1 92.936 -2.691 26.298 1.00 0.00 O ATOM 5 CB PHE A 1 95.429 -5.116 26.128 1.00 0.00 C ATOM 6 CG PHE A 1 95.615 -6.404 25.356 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.538 -6.459 24.303 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.873 -7.548 25.699 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.716 -7.650 23.589 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.052 -8.739 24.983 1.00 0.00 C ATOM 11 CZ PHE A 1 95.971 -8.790 23.927 1.00 0.00 C ATOM 0 H1 PHE A 1 95.946 -4.305 23.748 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.798 -3.073 23.529 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.083 -2.853 24.616 1.00 0.00 H new ATOM 0 HA PHE A 1 93.733 -4.632 24.876 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.401 -4.679 26.358 1.00 0.00 H new ATOM 0 HB3 PHE A 1 94.939 -5.322 27.079 1.00 0.00 H new ATOM 0 HD1 PHE A 1 97.112 -5.582 24.042 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.165 -7.509 26.514 1.00 0.00 H new ATOM 0 HE1 PHE A 1 97.427 -7.691 22.777 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.481 -9.618 25.245 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.106 -9.707 23.373 1.00 0.00 H new ATOM 23 N LEU A 2 94.994 -2.424 26.997 1.00 0.00 N ATOM 24 CA LEU A 2 94.592 -1.354 27.956 1.00 0.00 C ATOM 25 C LEU A 2 94.174 -0.067 27.230 1.00 0.00 C ATOM 26 O LEU A 2 93.306 0.651 27.683 1.00 0.00 O ATOM 27 CB LEU A 2 95.783 -1.048 28.861 1.00 0.00 C ATOM 28 CG LEU A 2 96.400 -2.358 29.357 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.458 -2.051 30.418 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.312 -3.258 29.955 1.00 0.00 C ATOM 0 H LEU A 2 95.990 -2.645 26.992 1.00 0.00 H new ATOM 0 HA LEU A 2 93.736 -1.708 28.531 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.527 -0.467 28.316 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.463 -0.441 29.708 1.00 0.00 H new ATOM 0 HG LEU A 2 96.865 -2.877 28.518 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.899 -2.983 30.773 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.237 -1.423 29.985 1.00 0.00 H new ATOM 0 HD13 LEU A 2 96.994 -1.528 31.254 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.761 -4.188 30.305 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.836 -2.747 30.792 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.564 -3.480 29.193 1.00 0.00 H new ATOM 42 N ASP A 3 94.793 0.252 26.129 1.00 0.00 N ATOM 43 CA ASP A 3 94.426 1.515 25.419 1.00 0.00 C ATOM 44 C ASP A 3 92.960 1.478 24.975 1.00 0.00 C ATOM 45 O ASP A 3 92.219 2.422 25.170 1.00 0.00 O ATOM 46 CB ASP A 3 95.329 1.681 24.200 1.00 0.00 C ATOM 47 CG ASP A 3 96.766 1.890 24.670 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.940 2.326 25.799 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.666 1.602 23.898 1.00 0.00 O ATOM 0 H ASP A 3 95.531 -0.299 25.690 1.00 0.00 H new ATOM 0 HA ASP A 3 94.558 2.357 26.098 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.266 0.799 23.562 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.001 2.531 23.602 1.00 0.00 H new ATOM 54 N GLY A 4 92.532 0.396 24.392 1.00 0.00 N ATOM 55 CA GLY A 4 91.109 0.305 23.947 1.00 0.00 C ATOM 56 C GLY A 4 90.204 0.150 25.168 1.00 0.00 C ATOM 57 O GLY A 4 89.194 0.813 25.294 1.00 0.00 O ATOM 0 H GLY A 4 93.101 -0.429 24.203 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.834 1.199 23.388 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.980 -0.544 23.275 1.00 0.00 H new ATOM 61 N ILE A 5 90.562 -0.721 26.066 1.00 0.00 N ATOM 62 CA ILE A 5 89.725 -0.929 27.277 1.00 0.00 C ATOM 63 C ILE A 5 89.590 0.381 28.042 1.00 0.00 C ATOM 64 O ILE A 5 88.539 0.698 28.557 1.00 0.00 O ATOM 65 CB ILE A 5 90.376 -1.984 28.168 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.370 -3.327 27.427 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.589 -2.109 29.472 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.352 -4.301 28.085 1.00 0.00 C ATOM 0 H ILE A 5 91.400 -1.300 26.014 1.00 0.00 H new ATOM 0 HA ILE A 5 88.733 -1.269 26.978 1.00 0.00 H new ATOM 0 HB ILE A 5 91.401 -1.695 28.399 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.366 -3.751 27.436 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.642 -3.175 26.383 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.055 -2.862 30.107 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.587 -1.149 29.989 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.563 -2.404 29.251 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.337 -5.250 27.549 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.357 -3.881 28.053 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.061 -4.466 29.122 1.00 0.00 H new ATOM 80 N ASP A 6 90.637 1.148 28.138 1.00 0.00 N ATOM 81 CA ASP A 6 90.518 2.423 28.887 1.00 0.00 C ATOM 82 C ASP A 6 89.393 3.258 28.277 1.00 0.00 C ATOM 83 O ASP A 6 88.546 3.778 28.978 1.00 0.00 O ATOM 84 CB ASP A 6 91.835 3.197 28.805 1.00 0.00 C ATOM 85 CG ASP A 6 91.777 4.405 29.734 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.681 4.781 30.119 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.832 4.934 30.043 1.00 0.00 O ATOM 0 H ASP A 6 91.554 0.951 27.738 1.00 0.00 H new ATOM 0 HA ASP A 6 90.294 2.212 29.933 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.667 2.550 29.084 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.014 3.522 27.780 1.00 0.00 H new ATOM 92 N LYS A 7 89.357 3.376 26.977 1.00 0.00 N ATOM 93 CA LYS A 7 88.264 4.162 26.340 1.00 0.00 C ATOM 94 C LYS A 7 86.943 3.407 26.501 1.00 0.00 C ATOM 95 O LYS A 7 85.921 3.981 26.834 1.00 0.00 O ATOM 96 CB LYS A 7 88.577 4.366 24.853 1.00 0.00 C ATOM 97 CG LYS A 7 87.543 5.311 24.232 1.00 0.00 C ATOM 98 CD LYS A 7 87.862 5.508 22.748 1.00 0.00 C ATOM 99 CE LYS A 7 86.866 6.493 22.128 1.00 0.00 C ATOM 100 NZ LYS A 7 87.021 6.483 20.646 1.00 0.00 N ATOM 0 H LYS A 7 90.033 2.965 26.333 1.00 0.00 H new ATOM 0 HA LYS A 7 88.182 5.137 26.820 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.579 4.780 24.736 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.565 3.407 24.334 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.541 4.899 24.348 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.555 6.271 24.748 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.879 5.884 22.632 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.814 4.552 22.227 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.847 6.218 22.400 1.00 0.00 H new ATOM 0 HE3 LYS A 7 87.040 7.496 22.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.346 7.151 20.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.990 6.765 20.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.835 5.526 20.284 1.00 0.00 H new ATOM 114 N ALA A 8 86.958 2.117 26.290 1.00 0.00 N ATOM 115 CA ALA A 8 85.710 1.319 26.450 1.00 0.00 C ATOM 116 C ALA A 8 85.284 1.324 27.916 1.00 0.00 C ATOM 117 O ALA A 8 84.113 1.359 28.236 1.00 0.00 O ATOM 118 CB ALA A 8 85.952 -0.123 25.992 1.00 0.00 C ATOM 0 H ALA A 8 87.782 1.583 26.014 1.00 0.00 H new ATOM 0 HA ALA A 8 84.922 1.761 25.841 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.036 -0.701 26.111 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.249 -0.127 24.943 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.743 -0.568 26.595 1.00 0.00 H new ATOM 124 N GLN A 9 86.228 1.281 28.811 1.00 0.00 N ATOM 125 CA GLN A 9 85.880 1.269 30.252 1.00 0.00 C ATOM 126 C GLN A 9 85.011 2.478 30.563 1.00 0.00 C ATOM 127 O GLN A 9 84.055 2.394 31.310 1.00 0.00 O ATOM 128 CB GLN A 9 87.161 1.319 31.091 1.00 0.00 C ATOM 129 CG GLN A 9 86.817 1.155 32.570 1.00 0.00 C ATOM 130 CD GLN A 9 88.107 1.196 33.393 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.187 1.046 32.856 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.040 1.392 34.682 1.00 0.00 N ATOM 0 H GLN A 9 87.226 1.254 28.604 1.00 0.00 H new ATOM 0 HA GLN A 9 85.334 0.356 30.492 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.843 0.529 30.777 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.675 2.267 30.931 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.142 1.949 32.889 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.297 0.211 32.733 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.133 1.518 35.132 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.894 1.419 35.239 1.00 0.00 H new ATOM 141 N GLU A 10 85.329 3.607 29.993 1.00 0.00 N ATOM 142 CA GLU A 10 84.505 4.814 30.257 1.00 0.00 C ATOM 143 C GLU A 10 83.070 4.545 29.805 1.00 0.00 C ATOM 144 O GLU A 10 82.119 4.911 30.464 1.00 0.00 O ATOM 145 CB GLU A 10 85.066 5.992 29.462 1.00 0.00 C ATOM 146 CG GLU A 10 84.393 7.285 29.916 1.00 0.00 C ATOM 147 CD GLU A 10 84.901 8.449 29.061 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.675 8.195 28.152 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.504 9.571 29.326 1.00 0.00 O ATOM 0 H GLU A 10 86.118 3.744 29.361 1.00 0.00 H new ATOM 0 HA GLU A 10 84.523 5.047 31.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 86.144 6.061 29.607 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.897 5.837 28.396 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.311 7.197 29.824 1.00 0.00 H new ATOM 0 HG3 GLU A 10 84.609 7.471 30.968 1.00 0.00 H new ATOM 156 N GLU A 11 82.905 3.902 28.679 1.00 0.00 N ATOM 157 CA GLU A 11 81.526 3.617 28.199 1.00 0.00 C ATOM 158 C GLU A 11 80.816 2.733 29.226 1.00 0.00 C ATOM 159 O GLU A 11 79.653 2.923 29.520 1.00 0.00 O ATOM 160 CB GLU A 11 81.580 2.904 26.838 1.00 0.00 C ATOM 161 CG GLU A 11 80.243 3.095 26.099 1.00 0.00 C ATOM 162 CD GLU A 11 80.207 4.497 25.478 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.238 4.933 24.987 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.153 5.111 25.507 1.00 0.00 O ATOM 0 H GLU A 11 83.658 3.566 28.078 1.00 0.00 H new ATOM 0 HA GLU A 11 80.978 4.552 28.079 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.398 3.304 26.239 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.779 1.842 26.981 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.131 2.337 25.323 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.410 2.969 26.791 1.00 0.00 H new ATOM 171 N HIS A 12 81.509 1.782 29.794 1.00 0.00 N ATOM 172 CA HIS A 12 80.862 0.904 30.815 1.00 0.00 C ATOM 173 C HIS A 12 80.406 1.747 32.009 1.00 0.00 C ATOM 174 O HIS A 12 79.323 1.573 32.524 1.00 0.00 O ATOM 175 CB HIS A 12 81.846 -0.159 31.311 1.00 0.00 C ATOM 176 CG HIS A 12 81.126 -1.034 32.295 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.740 -2.347 31.996 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.613 -0.762 33.538 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.015 -2.803 33.040 1.00 0.00 C ATOM 180 NE2 HIS A 12 79.922 -1.873 33.976 1.00 0.00 N ATOM 0 H HIS A 12 82.488 1.575 29.598 1.00 0.00 H new ATOM 0 HA HIS A 12 80.005 0.415 30.352 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.220 -0.752 30.476 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.710 0.311 31.780 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.730 0.164 34.081 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.574 -3.787 33.102 1.00 0.00 H new ATOM 0 HE2 HIS A 12 79.427 -1.961 34.864 1.00 0.00 H new ATOM 188 N GLU A 13 81.227 2.649 32.458 1.00 0.00 N ATOM 189 CA GLU A 13 80.837 3.493 33.616 1.00 0.00 C ATOM 190 C GLU A 13 79.575 4.292 33.285 1.00 0.00 C ATOM 191 O GLU A 13 78.674 4.408 34.088 1.00 0.00 O ATOM 192 CB GLU A 13 81.988 4.457 33.939 1.00 0.00 C ATOM 193 CG GLU A 13 81.661 5.240 35.208 1.00 0.00 C ATOM 194 CD GLU A 13 82.807 6.201 35.535 1.00 0.00 C ATOM 195 OE1 GLU A 13 83.836 6.115 34.882 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.639 7.001 36.440 1.00 0.00 O ATOM 0 H GLU A 13 82.152 2.839 32.073 1.00 0.00 H new ATOM 0 HA GLU A 13 80.632 2.856 34.476 1.00 0.00 H new ATOM 0 HB2 GLU A 13 82.915 3.900 34.072 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.145 5.143 33.107 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.734 5.797 35.073 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.502 4.553 36.039 1.00 0.00 H new ATOM 203 N LYS A 14 79.520 4.864 32.114 1.00 0.00 N ATOM 204 CA LYS A 14 78.339 5.689 31.720 1.00 0.00 C ATOM 205 C LYS A 14 77.032 4.888 31.693 1.00 0.00 C ATOM 206 O LYS A 14 75.970 5.444 31.906 1.00 0.00 O ATOM 207 CB LYS A 14 78.569 6.273 30.324 1.00 0.00 C ATOM 208 CG LYS A 14 79.689 7.317 30.367 1.00 0.00 C ATOM 209 CD LYS A 14 79.756 8.074 29.024 1.00 0.00 C ATOM 210 CE LYS A 14 80.510 7.256 27.971 1.00 0.00 C ATOM 211 NZ LYS A 14 80.912 8.150 26.849 1.00 0.00 N ATOM 0 H LYS A 14 80.250 4.795 31.405 1.00 0.00 H new ATOM 0 HA LYS A 14 78.239 6.472 32.472 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.830 5.477 29.627 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.650 6.729 29.957 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.512 8.019 31.181 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.644 6.830 30.568 1.00 0.00 H new ATOM 0 HD2 LYS A 14 78.747 8.286 28.671 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.252 9.034 29.168 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.391 6.793 28.416 1.00 0.00 H new ATOM 0 HE3 LYS A 14 79.878 6.449 27.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 81.424 7.598 26.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 80.064 8.572 26.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 81.529 8.905 27.211 1.00 0.00 H new ATOM 225 N TYR A 15 77.066 3.618 31.370 1.00 0.00 N ATOM 226 CA TYR A 15 75.775 2.851 31.262 1.00 0.00 C ATOM 227 C TYR A 15 75.863 1.452 31.872 1.00 0.00 C ATOM 228 O TYR A 15 74.886 0.733 31.886 1.00 0.00 O ATOM 229 CB TYR A 15 75.455 2.710 29.776 1.00 0.00 C ATOM 230 CG TYR A 15 75.541 4.068 29.121 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.467 4.956 29.233 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.692 4.441 28.401 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.536 6.217 28.633 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.757 5.702 27.800 1.00 0.00 C ATOM 235 CZ TYR A 15 75.680 6.589 27.915 1.00 0.00 C ATOM 236 OH TYR A 15 75.744 7.830 27.317 1.00 0.00 O ATOM 0 H TYR A 15 77.913 3.083 31.179 1.00 0.00 H new ATOM 0 HA TYR A 15 75.005 3.394 31.810 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.155 2.020 29.304 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.457 2.291 29.644 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.584 4.668 29.783 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.522 3.756 28.313 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.708 6.904 28.723 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.638 5.992 27.247 1.00 0.00 H new ATOM 0 HH TYR A 15 76.605 7.929 26.860 1.00 0.00 H new ATOM 246 N HIS A 16 77.009 1.031 32.325 1.00 0.00 N ATOM 247 CA HIS A 16 77.118 -0.353 32.875 1.00 0.00 C ATOM 248 C HIS A 16 76.596 -1.311 31.815 1.00 0.00 C ATOM 249 O HIS A 16 75.870 -2.241 32.101 1.00 0.00 O ATOM 250 CB HIS A 16 76.285 -0.524 34.155 1.00 0.00 C ATOM 251 CG HIS A 16 76.914 0.203 35.318 1.00 0.00 C ATOM 252 ND1 HIS A 16 77.972 -0.302 36.059 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.600 1.396 35.938 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.262 0.534 37.057 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.454 1.598 37.030 1.00 0.00 N ATOM 0 H HIS A 16 77.870 1.578 32.340 1.00 0.00 H new ATOM 0 HA HIS A 16 78.159 -0.555 33.127 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.277 -0.145 33.989 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.192 -1.584 34.393 1.00 0.00 H new ATOM 0 HD2 HIS A 16 75.816 2.071 35.628 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.042 0.373 37.786 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.458 2.392 37.671 1.00 0.00 H new ATOM 263 N SER A 17 76.938 -1.066 30.585 1.00 0.00 N ATOM 264 CA SER A 17 76.443 -1.929 29.480 1.00 0.00 C ATOM 265 C SER A 17 76.908 -3.377 29.660 1.00 0.00 C ATOM 266 O SER A 17 77.913 -3.647 30.291 1.00 0.00 O ATOM 267 CB SER A 17 76.970 -1.385 28.155 1.00 0.00 C ATOM 268 OG SER A 17 78.390 -1.443 28.161 1.00 0.00 O ATOM 0 H SER A 17 77.544 -0.299 30.294 1.00 0.00 H new ATOM 0 HA SER A 17 75.353 -1.919 29.488 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.573 -1.969 27.324 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.636 -0.357 28.011 1.00 0.00 H new ATOM 0 HG SER A 17 78.741 -0.954 27.387 1.00 0.00 H new ATOM 274 N ASN A 18 76.182 -4.307 29.090 1.00 0.00 N ATOM 275 CA ASN A 18 76.567 -5.742 29.197 1.00 0.00 C ATOM 276 C ASN A 18 77.810 -5.984 28.346 1.00 0.00 C ATOM 277 O ASN A 18 78.114 -5.222 27.450 1.00 0.00 O ATOM 278 CB ASN A 18 75.429 -6.627 28.683 1.00 0.00 C ATOM 279 CG ASN A 18 74.205 -6.476 29.588 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.372 -6.339 30.874 1.00 0.00 O flip ATOM 281 ND2 ASN A 18 73.084 -6.488 29.121 1.00 0.00 N flip ATOM 0 H ASN A 18 75.334 -4.129 28.552 1.00 0.00 H new ATOM 0 HA ASN A 18 76.769 -5.987 30.240 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.173 -6.349 27.661 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.749 -7.669 28.659 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.952 -6.595 28.115 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.275 -6.391 29.734 1.00 0.00 H new ATOM 288 N TRP A 19 78.537 -7.032 28.616 1.00 0.00 N ATOM 289 CA TRP A 19 79.760 -7.303 27.812 1.00 0.00 C ATOM 290 C TRP A 19 79.402 -7.450 26.328 1.00 0.00 C ATOM 291 O TRP A 19 80.189 -7.128 25.461 1.00 0.00 O ATOM 292 CB TRP A 19 80.451 -8.573 28.321 1.00 0.00 C ATOM 293 CG TRP A 19 79.665 -9.796 27.965 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.807 -10.435 28.794 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.670 -10.551 26.718 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.286 -11.535 28.136 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.787 -11.649 26.854 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.348 -10.393 25.497 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.586 -12.559 25.814 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.146 -11.306 24.449 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.267 -12.388 24.607 1.00 0.00 C ATOM 0 H TRP A 19 78.339 -7.708 29.353 1.00 0.00 H new ATOM 0 HA TRP A 19 80.445 -6.462 27.920 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.451 -8.643 27.893 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.571 -8.516 29.403 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.568 -10.135 29.804 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.614 -12.183 28.547 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.028 -9.565 25.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.908 -13.390 25.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.671 -11.174 23.515 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.117 -13.087 23.797 1.00 0.00 H new ATOM 312 N ARG A 20 78.228 -7.931 26.021 1.00 0.00 N ATOM 313 CA ARG A 20 77.855 -8.088 24.585 1.00 0.00 C ATOM 314 C ARG A 20 77.811 -6.720 23.907 1.00 0.00 C ATOM 315 O ARG A 20 78.254 -6.553 22.791 1.00 0.00 O ATOM 316 CB ARG A 20 76.473 -8.737 24.477 1.00 0.00 C ATOM 317 CG ARG A 20 76.526 -10.173 25.003 1.00 0.00 C ATOM 318 CD ARG A 20 75.165 -10.840 24.784 1.00 0.00 C ATOM 319 NE ARG A 20 75.130 -12.163 25.472 1.00 0.00 N ATOM 320 CZ ARG A 20 73.986 -12.754 25.684 1.00 0.00 C ATOM 321 NH1 ARG A 20 72.877 -12.168 25.327 1.00 0.00 N ATOM 322 NH2 ARG A 20 73.948 -13.924 26.262 1.00 0.00 N ATOM 0 H ARG A 20 77.517 -8.219 26.694 1.00 0.00 H new ATOM 0 HA ARG A 20 78.599 -8.717 24.096 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.745 -8.159 25.047 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.141 -8.733 23.439 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.306 -10.733 24.488 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.779 -10.176 26.063 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.371 -10.200 25.168 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.982 -10.970 23.717 1.00 0.00 H new ATOM 0 HE ARG A 20 75.998 -12.605 25.776 1.00 0.00 H new ATOM 0 HH11 ARG A 20 72.905 -11.250 24.883 1.00 0.00 H new ATOM 0 HH12 ARG A 20 71.981 -12.628 25.491 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.814 -14.379 26.550 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.052 -14.383 26.426 1.00 0.00 H new ATOM 336 N ALA A 21 77.275 -5.740 24.576 1.00 0.00 N ATOM 337 CA ALA A 21 77.191 -4.379 23.973 1.00 0.00 C ATOM 338 C ALA A 21 78.598 -3.798 23.800 1.00 0.00 C ATOM 339 O ALA A 21 78.947 -3.297 22.750 1.00 0.00 O ATOM 340 CB ALA A 21 76.353 -3.484 24.896 1.00 0.00 C ATOM 0 H ALA A 21 76.890 -5.821 25.517 1.00 0.00 H new ATOM 0 HA ALA A 21 76.720 -4.434 22.992 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.283 -2.484 24.468 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.353 -3.905 25.001 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.827 -3.426 25.876 1.00 0.00 H new ATOM 346 N MET A 22 79.412 -3.871 24.814 1.00 0.00 N ATOM 347 CA MET A 22 80.796 -3.327 24.687 1.00 0.00 C ATOM 348 C MET A 22 81.533 -4.076 23.584 1.00 0.00 C ATOM 349 O MET A 22 82.265 -3.496 22.809 1.00 0.00 O ATOM 350 CB MET A 22 81.544 -3.519 26.005 1.00 0.00 C ATOM 351 CG MET A 22 80.952 -2.589 27.067 1.00 0.00 C ATOM 352 SD MET A 22 82.008 -2.598 28.539 1.00 0.00 S ATOM 353 CE MET A 22 81.626 -4.281 29.086 1.00 0.00 C ATOM 0 H MET A 22 79.184 -4.280 25.720 1.00 0.00 H new ATOM 0 HA MET A 22 80.746 -2.265 24.445 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.468 -4.556 26.331 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.604 -3.305 25.869 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.869 -1.576 26.673 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.944 -2.913 27.328 1.00 0.00 H new ATOM 0 HE1 MET A 22 81.909 -4.396 30.132 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.557 -4.466 28.976 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.182 -4.996 28.479 1.00 0.00 H new ATOM 363 N ALA A 23 81.333 -5.361 23.499 1.00 0.00 N ATOM 364 CA ALA A 23 82.023 -6.141 22.441 1.00 0.00 C ATOM 365 C ALA A 23 81.666 -5.560 21.073 1.00 0.00 C ATOM 366 O ALA A 23 82.524 -5.319 20.247 1.00 0.00 O ATOM 367 CB ALA A 23 81.579 -7.604 22.514 1.00 0.00 C ATOM 0 H ALA A 23 80.724 -5.901 24.114 1.00 0.00 H new ATOM 0 HA ALA A 23 83.102 -6.086 22.588 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.085 -8.177 21.737 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.834 -8.013 23.492 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.501 -7.665 22.365 1.00 0.00 H new ATOM 373 N SER A 24 80.406 -5.334 20.829 1.00 0.00 N ATOM 374 CA SER A 24 79.994 -4.766 19.512 1.00 0.00 C ATOM 375 C SER A 24 80.442 -3.307 19.396 1.00 0.00 C ATOM 376 O SER A 24 80.795 -2.842 18.331 1.00 0.00 O ATOM 377 CB SER A 24 78.475 -4.829 19.376 1.00 0.00 C ATOM 378 OG SER A 24 78.109 -4.473 18.049 1.00 0.00 O ATOM 0 H SER A 24 79.644 -5.517 21.482 1.00 0.00 H new ATOM 0 HA SER A 24 80.464 -5.351 18.721 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.119 -5.833 19.607 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.006 -4.152 20.090 1.00 0.00 H new ATOM 0 HG SER A 24 77.134 -4.514 17.956 1.00 0.00 H new ATOM 384 N ASP A 25 80.400 -2.573 20.475 1.00 0.00 N ATOM 385 CA ASP A 25 80.793 -1.137 20.414 1.00 0.00 C ATOM 386 C ASP A 25 82.250 -1.007 19.961 1.00 0.00 C ATOM 387 O ASP A 25 82.582 -0.140 19.177 1.00 0.00 O ATOM 388 CB ASP A 25 80.631 -0.523 21.805 1.00 0.00 C ATOM 389 CG ASP A 25 79.161 -0.606 22.222 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.329 -0.794 21.349 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.890 -0.482 23.405 1.00 0.00 O ATOM 0 H ASP A 25 80.111 -2.906 21.395 1.00 0.00 H new ATOM 0 HA ASP A 25 80.157 -0.615 19.698 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.256 -1.052 22.524 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.962 0.516 21.798 1.00 0.00 H new ATOM 396 N PHE A 26 83.120 -1.868 20.436 1.00 0.00 N ATOM 397 CA PHE A 26 84.567 -1.803 20.029 1.00 0.00 C ATOM 398 C PHE A 26 84.943 -3.036 19.209 1.00 0.00 C ATOM 399 O PHE A 26 86.080 -3.204 18.814 1.00 0.00 O ATOM 400 CB PHE A 26 85.433 -1.729 21.286 1.00 0.00 C ATOM 401 CG PHE A 26 85.140 -0.429 21.993 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.869 0.718 21.663 1.00 0.00 C ATOM 403 CD2 PHE A 26 84.137 -0.365 22.966 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.595 1.930 22.304 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.860 0.849 23.607 1.00 0.00 C ATOM 406 CZ PHE A 26 84.593 1.997 23.277 1.00 0.00 C ATOM 0 H PHE A 26 82.892 -2.616 21.090 1.00 0.00 H new ATOM 0 HA PHE A 26 84.731 -0.918 19.415 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.221 -2.573 21.942 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.489 -1.787 21.022 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.644 0.668 20.913 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.576 -1.252 23.223 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.158 2.815 22.047 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.082 0.900 24.355 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.384 2.933 23.774 1.00 0.00 H new ATOM 416 N ASN A 27 84.000 -3.898 18.946 1.00 0.00 N ATOM 417 CA ASN A 27 84.301 -5.120 18.146 1.00 0.00 C ATOM 418 C ASN A 27 85.448 -5.911 18.799 1.00 0.00 C ATOM 419 O ASN A 27 86.410 -6.272 18.148 1.00 0.00 O ATOM 420 CB ASN A 27 84.685 -4.726 16.716 1.00 0.00 C ATOM 421 CG ASN A 27 83.519 -3.975 16.062 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.417 -3.978 16.574 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.716 -3.334 14.942 1.00 0.00 N ATOM 0 H ASN A 27 83.031 -3.809 19.251 1.00 0.00 H new ATOM 0 HA ASN A 27 83.412 -5.750 18.115 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.576 -4.098 16.727 1.00 0.00 H new ATOM 0 HB3 ASN A 27 84.930 -5.616 16.136 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.945 -2.836 14.497 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.641 -3.331 14.512 1.00 0.00 H new ATOM 430 N LEU A 28 85.351 -6.180 20.083 1.00 0.00 N ATOM 431 CA LEU A 28 86.424 -6.949 20.802 1.00 0.00 C ATOM 432 C LEU A 28 85.835 -8.281 21.289 1.00 0.00 C ATOM 433 O LEU A 28 84.650 -8.373 21.544 1.00 0.00 O ATOM 434 CB LEU A 28 86.897 -6.119 22.005 1.00 0.00 C ATOM 435 CG LEU A 28 87.549 -4.815 21.518 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.740 -3.866 22.705 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.916 -5.105 20.868 1.00 0.00 C ATOM 0 H LEU A 28 84.566 -5.897 20.670 1.00 0.00 H new ATOM 0 HA LEU A 28 87.266 -7.146 20.139 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.053 -5.892 22.656 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.610 -6.693 22.596 1.00 0.00 H new ATOM 0 HG LEU A 28 86.898 -4.353 20.776 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.202 -2.941 22.361 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.771 -3.643 23.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.383 -4.338 23.448 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.363 -4.171 20.529 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.573 -5.578 21.598 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.780 -5.772 20.017 1.00 0.00 H new ATOM 449 N PRO A 29 86.641 -9.314 21.424 1.00 0.00 N ATOM 450 CA PRO A 29 86.149 -10.644 21.892 1.00 0.00 C ATOM 451 C PRO A 29 85.548 -10.568 23.311 1.00 0.00 C ATOM 452 O PRO A 29 85.952 -9.745 24.107 1.00 0.00 O ATOM 453 CB PRO A 29 87.406 -11.538 21.870 1.00 0.00 C ATOM 454 CG PRO A 29 88.558 -10.589 21.900 1.00 0.00 C ATOM 455 CD PRO A 29 88.090 -9.347 21.148 1.00 0.00 C ATOM 0 HA PRO A 29 85.346 -11.027 21.262 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.427 -12.210 22.728 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.431 -12.161 20.976 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.837 -10.344 22.925 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.437 -11.025 21.426 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.589 -8.447 21.507 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.295 -9.421 20.080 1.00 0.00 H new ATOM 463 N PRO A 30 84.598 -11.416 23.632 1.00 0.00 N ATOM 464 CA PRO A 30 83.963 -11.423 24.977 1.00 0.00 C ATOM 465 C PRO A 30 84.988 -11.283 26.109 1.00 0.00 C ATOM 466 O PRO A 30 84.762 -10.596 27.085 1.00 0.00 O ATOM 467 CB PRO A 30 83.253 -12.787 25.061 1.00 0.00 C ATOM 468 CG PRO A 30 83.059 -13.247 23.640 1.00 0.00 C ATOM 469 CD PRO A 30 84.029 -12.449 22.750 1.00 0.00 C ATOM 0 HA PRO A 30 83.285 -10.578 25.096 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.851 -13.503 25.624 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.296 -12.697 25.575 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.254 -14.316 23.555 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.029 -13.085 23.323 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.809 -13.092 22.342 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.509 -12.001 21.903 1.00 0.00 H new ATOM 477 N VAL A 31 86.103 -11.949 25.997 1.00 0.00 N ATOM 478 CA VAL A 31 87.130 -11.875 27.084 1.00 0.00 C ATOM 479 C VAL A 31 87.444 -10.426 27.420 1.00 0.00 C ATOM 480 O VAL A 31 87.442 -10.041 28.571 1.00 0.00 O ATOM 481 CB VAL A 31 88.425 -12.562 26.614 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.529 -12.487 27.694 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.125 -14.029 26.304 1.00 0.00 C ATOM 0 H VAL A 31 86.351 -12.541 25.204 1.00 0.00 H new ATOM 0 HA VAL A 31 86.735 -12.374 27.969 1.00 0.00 H new ATOM 0 HB VAL A 31 88.784 -12.046 25.724 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.429 -12.982 27.329 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.752 -11.443 27.914 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.185 -12.983 28.601 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.037 -14.524 25.970 1.00 0.00 H new ATOM 0 HG22 VAL A 31 87.752 -14.522 27.202 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.372 -14.088 25.519 1.00 0.00 H new ATOM 493 N VAL A 32 87.731 -9.616 26.447 1.00 0.00 N ATOM 494 CA VAL A 32 88.062 -8.210 26.779 1.00 0.00 C ATOM 495 C VAL A 32 86.834 -7.531 27.382 1.00 0.00 C ATOM 496 O VAL A 32 86.906 -6.886 28.411 1.00 0.00 O ATOM 497 CB VAL A 32 88.503 -7.458 25.525 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.837 -6.008 25.894 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.746 -8.136 24.937 1.00 0.00 C ATOM 0 H VAL A 32 87.751 -9.859 25.457 1.00 0.00 H new ATOM 0 HA VAL A 32 88.880 -8.197 27.499 1.00 0.00 H new ATOM 0 HB VAL A 32 87.700 -7.470 24.788 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.152 -5.469 25.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.954 -5.527 26.316 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.642 -5.996 26.628 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.063 -7.601 24.042 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.551 -8.121 25.672 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.509 -9.168 24.678 1.00 0.00 H new ATOM 509 N ALA A 33 85.708 -7.672 26.745 1.00 0.00 N ATOM 510 CA ALA A 33 84.469 -7.039 27.270 1.00 0.00 C ATOM 511 C ALA A 33 84.071 -7.668 28.611 1.00 0.00 C ATOM 512 O ALA A 33 83.745 -6.976 29.556 1.00 0.00 O ATOM 513 CB ALA A 33 83.334 -7.235 26.264 1.00 0.00 C ATOM 0 H ALA A 33 85.592 -8.200 25.880 1.00 0.00 H new ATOM 0 HA ALA A 33 84.655 -5.976 27.421 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.425 -6.772 26.647 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.605 -6.773 25.315 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.162 -8.301 26.112 1.00 0.00 H new ATOM 519 N LYS A 34 84.087 -8.973 28.710 1.00 0.00 N ATOM 520 CA LYS A 34 83.703 -9.603 30.002 1.00 0.00 C ATOM 521 C LYS A 34 84.681 -9.173 31.088 1.00 0.00 C ATOM 522 O LYS A 34 84.313 -9.012 32.233 1.00 0.00 O ATOM 523 CB LYS A 34 83.702 -11.131 29.878 1.00 0.00 C ATOM 524 CG LYS A 34 82.528 -11.598 29.004 1.00 0.00 C ATOM 525 CD LYS A 34 82.262 -13.087 29.261 1.00 0.00 C ATOM 526 CE LYS A 34 83.513 -13.901 28.939 1.00 0.00 C ATOM 527 NZ LYS A 34 83.147 -15.336 28.777 1.00 0.00 N ATOM 0 H LYS A 34 84.345 -9.618 27.963 1.00 0.00 H new ATOM 0 HA LYS A 34 82.697 -9.277 30.266 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.643 -11.467 29.443 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.629 -11.582 30.868 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.636 -11.014 29.231 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.757 -11.435 27.951 1.00 0.00 H new ATOM 0 HD2 LYS A 34 81.976 -13.240 30.302 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.428 -13.428 28.648 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.977 -13.528 28.026 1.00 0.00 H new ATOM 0 HE3 LYS A 34 84.247 -13.790 29.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 84.000 -15.889 28.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.723 -15.688 29.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.462 -15.434 28.001 1.00 0.00 H new ATOM 541 N GLU A 35 85.931 -8.994 30.748 1.00 0.00 N ATOM 542 CA GLU A 35 86.919 -8.588 31.782 1.00 0.00 C ATOM 543 C GLU A 35 86.518 -7.237 32.377 1.00 0.00 C ATOM 544 O GLU A 35 86.636 -7.020 33.567 1.00 0.00 O ATOM 545 CB GLU A 35 88.315 -8.501 31.161 1.00 0.00 C ATOM 546 CG GLU A 35 89.377 -8.370 32.268 1.00 0.00 C ATOM 547 CD GLU A 35 89.449 -6.920 32.764 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.983 -6.043 32.056 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.972 -6.715 33.846 1.00 0.00 O ATOM 0 H GLU A 35 86.305 -9.111 29.806 1.00 0.00 H new ATOM 0 HA GLU A 35 86.935 -9.333 32.578 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.511 -9.390 30.561 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.370 -7.644 30.489 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.132 -9.034 33.097 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.350 -8.681 31.887 1.00 0.00 H new ATOM 556 N ILE A 36 86.038 -6.330 31.569 1.00 0.00 N ATOM 557 CA ILE A 36 85.623 -5.005 32.118 1.00 0.00 C ATOM 558 C ILE A 36 84.536 -5.247 33.160 1.00 0.00 C ATOM 559 O ILE A 36 84.508 -4.625 34.204 1.00 0.00 O ATOM 560 CB ILE A 36 85.092 -4.100 30.997 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.202 -3.895 29.957 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.677 -2.742 31.590 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.726 -2.937 28.859 1.00 0.00 C ATOM 0 H ILE A 36 85.916 -6.446 30.563 1.00 0.00 H new ATOM 0 HA ILE A 36 86.478 -4.505 32.572 1.00 0.00 H new ATOM 0 HB ILE A 36 84.226 -4.562 30.523 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.093 -3.493 30.439 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.481 -4.853 29.518 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.300 -2.098 30.796 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.896 -2.894 32.336 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.541 -2.271 32.060 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.521 -2.799 28.127 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.848 -3.355 28.367 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.469 -1.975 29.302 1.00 0.00 H new ATOM 575 N VAL A 37 83.645 -6.160 32.890 1.00 0.00 N ATOM 576 CA VAL A 37 82.570 -6.456 33.874 1.00 0.00 C ATOM 577 C VAL A 37 83.208 -6.991 35.153 1.00 0.00 C ATOM 578 O VAL A 37 82.803 -6.663 36.251 1.00 0.00 O ATOM 579 CB VAL A 37 81.621 -7.517 33.307 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.555 -7.837 34.354 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.943 -6.982 32.041 1.00 0.00 C ATOM 0 H VAL A 37 83.616 -6.712 32.033 1.00 0.00 H new ATOM 0 HA VAL A 37 82.008 -5.546 34.083 1.00 0.00 H new ATOM 0 HB VAL A 37 82.184 -8.417 33.059 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.874 -8.592 33.961 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.034 -8.216 35.257 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.996 -6.932 34.592 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.269 -7.740 31.641 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.376 -6.084 32.284 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.701 -6.742 31.296 1.00 0.00 H new ATOM 591 N ALA A 38 84.214 -7.807 35.017 1.00 0.00 N ATOM 592 CA ALA A 38 84.887 -8.367 36.216 1.00 0.00 C ATOM 593 C ALA A 38 85.440 -7.217 37.057 1.00 0.00 C ATOM 594 O ALA A 38 85.501 -7.290 38.268 1.00 0.00 O ATOM 595 CB ALA A 38 86.033 -9.280 35.772 1.00 0.00 C ATOM 0 H ALA A 38 84.599 -8.110 34.123 1.00 0.00 H new ATOM 0 HA ALA A 38 84.176 -8.944 36.808 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.530 -9.693 36.650 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.636 -10.093 35.164 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.750 -8.705 35.186 1.00 0.00 H new ATOM 601 N SER A 39 85.835 -6.151 36.417 1.00 0.00 N ATOM 602 CA SER A 39 86.378 -4.983 37.163 1.00 0.00 C ATOM 603 C SER A 39 85.225 -4.216 37.817 1.00 0.00 C ATOM 604 O SER A 39 85.386 -3.595 38.849 1.00 0.00 O ATOM 605 CB SER A 39 87.115 -4.059 36.193 1.00 0.00 C ATOM 606 OG SER A 39 88.179 -4.776 35.579 1.00 0.00 O ATOM 0 H SER A 39 85.804 -6.039 35.404 1.00 0.00 H new ATOM 0 HA SER A 39 87.068 -5.331 37.932 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.427 -3.686 35.434 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.505 -3.191 36.725 1.00 0.00 H new ATOM 0 HG SER A 39 88.653 -4.187 34.955 1.00 0.00 H new ATOM 612 N CYS A 40 84.063 -4.260 37.225 1.00 0.00 N ATOM 613 CA CYS A 40 82.892 -3.543 37.810 1.00 0.00 C ATOM 614 C CYS A 40 82.258 -4.407 38.903 1.00 0.00 C ATOM 615 O CYS A 40 81.570 -5.368 38.627 1.00 0.00 O ATOM 616 CB CYS A 40 81.866 -3.273 36.710 1.00 0.00 C ATOM 617 SG CYS A 40 80.442 -2.410 37.413 1.00 0.00 S ATOM 0 H CYS A 40 83.872 -4.763 36.358 1.00 0.00 H new ATOM 0 HA CYS A 40 83.220 -2.598 38.243 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.315 -2.672 35.919 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.548 -4.212 36.256 1.00 0.00 H new ATOM 0 HG CYS A 40 79.354 -2.827 36.836 1.00 0.00 H new ATOM 622 N ASP A 41 82.495 -4.074 40.141 1.00 0.00 N ATOM 623 CA ASP A 41 81.918 -4.874 41.255 1.00 0.00 C ATOM 624 C ASP A 41 80.388 -4.839 41.202 1.00 0.00 C ATOM 625 O ASP A 41 79.728 -5.768 41.626 1.00 0.00 O ATOM 626 CB ASP A 41 82.395 -4.301 42.593 1.00 0.00 C ATOM 627 CG ASP A 41 83.891 -4.565 42.757 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.421 -5.356 41.995 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.481 -3.970 43.644 1.00 0.00 O ATOM 0 H ASP A 41 83.066 -3.279 40.429 1.00 0.00 H new ATOM 0 HA ASP A 41 82.250 -5.908 41.155 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.198 -3.230 42.633 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.842 -4.758 43.414 1.00 0.00 H new ATOM 634 N LYS A 42 79.813 -3.775 40.705 1.00 0.00 N ATOM 635 CA LYS A 42 78.324 -3.696 40.657 1.00 0.00 C ATOM 636 C LYS A 42 77.764 -4.680 39.618 1.00 0.00 C ATOM 637 O LYS A 42 76.761 -5.325 39.849 1.00 0.00 O ATOM 638 CB LYS A 42 77.897 -2.262 40.296 1.00 0.00 C ATOM 639 CG LYS A 42 78.427 -1.292 41.360 1.00 0.00 C ATOM 640 CD LYS A 42 77.974 0.136 41.048 1.00 0.00 C ATOM 641 CE LYS A 42 78.609 1.097 42.056 1.00 0.00 C ATOM 642 NZ LYS A 42 80.090 1.029 41.930 1.00 0.00 N ATOM 0 H LYS A 42 80.306 -2.963 40.333 1.00 0.00 H new ATOM 0 HA LYS A 42 77.927 -3.962 41.637 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.286 -1.991 39.314 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.810 -2.198 40.238 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.066 -1.589 42.345 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.516 -1.337 41.393 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.265 0.409 40.034 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.887 0.204 41.097 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.263 2.115 41.874 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.306 0.833 43.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.509 1.914 42.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 80.450 0.230 42.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.348 0.895 40.931 1.00 0.00 H new ATOM 656 N CYS A 43 78.398 -4.805 38.481 1.00 0.00 N ATOM 657 CA CYS A 43 77.880 -5.751 37.440 1.00 0.00 C ATOM 658 C CYS A 43 78.404 -7.174 37.683 1.00 0.00 C ATOM 659 O CYS A 43 77.754 -8.143 37.351 1.00 0.00 O ATOM 660 CB CYS A 43 78.317 -5.283 36.050 1.00 0.00 C ATOM 661 SG CYS A 43 77.436 -3.761 35.619 1.00 0.00 S ATOM 0 H CYS A 43 79.246 -4.298 38.227 1.00 0.00 H new ATOM 0 HA CYS A 43 76.792 -5.763 37.502 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.393 -5.109 36.035 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.109 -6.058 35.312 1.00 0.00 H new ATOM 0 HG CYS A 43 77.645 -3.478 34.367 1.00 0.00 H new ATOM 666 N GLN A 44 79.576 -7.310 38.233 1.00 0.00 N ATOM 667 CA GLN A 44 80.139 -8.676 38.468 1.00 0.00 C ATOM 668 C GLN A 44 79.371 -9.401 39.586 1.00 0.00 C ATOM 669 O GLN A 44 78.984 -10.545 39.444 1.00 0.00 O ATOM 670 CB GLN A 44 81.612 -8.539 38.861 1.00 0.00 C ATOM 671 CG GLN A 44 82.291 -9.914 38.878 1.00 0.00 C ATOM 672 CD GLN A 44 83.627 -9.801 39.614 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.151 -8.619 39.805 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.194 -10.792 40.027 1.00 0.00 N ATOM 0 H GLN A 44 80.172 -6.538 38.531 1.00 0.00 H new ATOM 0 HA GLN A 44 80.043 -9.263 37.555 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.123 -7.883 38.157 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.691 -8.075 39.844 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.650 -10.644 39.372 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.451 -10.267 37.859 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.784 -11.714 39.877 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.080 -10.703 40.524 1.00 0.00 H new ATOM 844 N PHE B 1 93.496 -14.329 21.100 1.00 0.00 N ATOM 845 CA PHE B 1 92.798 -14.148 22.404 1.00 0.00 C ATOM 846 C PHE B 1 92.341 -15.507 22.944 1.00 0.00 C ATOM 847 O PHE B 1 92.832 -15.991 23.940 1.00 0.00 O ATOM 848 CB PHE B 1 91.561 -13.248 22.217 1.00 0.00 C ATOM 849 CG PHE B 1 91.970 -11.799 22.053 1.00 0.00 C ATOM 850 CD1 PHE B 1 92.506 -11.359 20.834 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.794 -10.890 23.109 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.866 -10.015 20.668 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.160 -9.549 22.943 1.00 0.00 C ATOM 854 CZ PHE B 1 92.695 -9.111 21.724 1.00 0.00 C ATOM 0 H1 PHE B 1 93.547 -13.416 20.604 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.458 -14.686 21.268 1.00 0.00 H new ATOM 0 H3 PHE B 1 92.970 -15.011 20.517 1.00 0.00 H new ATOM 0 HA PHE B 1 93.489 -13.684 23.108 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.998 -13.573 21.342 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.899 -13.349 23.077 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.642 -12.057 20.022 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.377 -11.225 24.047 1.00 0.00 H new ATOM 0 HE1 PHE B 1 93.275 -9.677 19.727 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.030 -8.850 23.756 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.976 -8.076 21.599 1.00 0.00 H new ATOM 866 N LEU B 2 91.377 -16.107 22.304 1.00 0.00 N ATOM 867 CA LEU B 2 90.849 -17.412 22.787 1.00 0.00 C ATOM 868 C LEU B 2 91.859 -18.544 22.575 1.00 0.00 C ATOM 869 O LEU B 2 91.926 -19.471 23.359 1.00 0.00 O ATOM 870 CB LEU B 2 89.567 -17.734 22.018 1.00 0.00 C ATOM 871 CG LEU B 2 88.651 -16.503 21.998 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.295 -16.895 21.417 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.461 -15.964 23.424 1.00 0.00 C ATOM 0 H LEU B 2 90.929 -15.746 21.461 1.00 0.00 H new ATOM 0 HA LEU B 2 90.654 -17.331 23.856 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.809 -18.035 20.999 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.053 -18.574 22.485 1.00 0.00 H new ATOM 0 HG LEU B 2 89.106 -15.726 21.383 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.640 -16.024 21.401 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.428 -17.268 20.401 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.847 -17.674 22.033 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.809 -15.091 23.399 1.00 0.00 H new ATOM 0 HD22 LEU B 2 88.010 -16.736 24.048 1.00 0.00 H new ATOM 0 HD23 LEU B 2 89.429 -15.683 23.839 1.00 0.00 H new ATOM 885 N ASP B 3 92.630 -18.507 21.525 1.00 0.00 N ATOM 886 CA ASP B 3 93.601 -19.620 21.289 1.00 0.00 C ATOM 887 C ASP B 3 94.622 -19.696 22.428 1.00 0.00 C ATOM 888 O ASP B 3 94.917 -20.758 22.943 1.00 0.00 O ATOM 889 CB ASP B 3 94.326 -19.377 19.969 1.00 0.00 C ATOM 890 CG ASP B 3 93.330 -19.521 18.813 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.333 -20.202 18.999 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.575 -18.946 17.767 1.00 0.00 O ATOM 0 H ASP B 3 92.634 -17.765 20.825 1.00 0.00 H new ATOM 0 HA ASP B 3 93.057 -20.563 21.249 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.769 -18.381 19.961 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.143 -20.090 19.852 1.00 0.00 H new ATOM 897 N GLY B 4 95.166 -18.584 22.830 1.00 0.00 N ATOM 898 CA GLY B 4 96.168 -18.610 23.936 1.00 0.00 C ATOM 899 C GLY B 4 95.452 -18.858 25.263 1.00 0.00 C ATOM 900 O GLY B 4 95.870 -19.667 26.070 1.00 0.00 O ATOM 0 H GLY B 4 94.964 -17.661 22.445 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.905 -19.393 23.756 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.710 -17.665 23.973 1.00 0.00 H new ATOM 904 N ILE B 5 94.379 -18.165 25.495 1.00 0.00 N ATOM 905 CA ILE B 5 93.637 -18.352 26.769 1.00 0.00 C ATOM 906 C ILE B 5 93.204 -19.806 26.913 1.00 0.00 C ATOM 907 O ILE B 5 93.257 -20.368 27.984 1.00 0.00 O ATOM 908 CB ILE B 5 92.401 -17.451 26.773 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.853 -15.988 26.798 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.551 -17.747 28.011 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.690 -15.065 26.407 1.00 0.00 C ATOM 0 H ILE B 5 93.981 -17.475 24.857 1.00 0.00 H new ATOM 0 HA ILE B 5 94.288 -18.089 27.603 1.00 0.00 H new ATOM 0 HB ILE B 5 91.806 -17.639 25.879 1.00 0.00 H new ATOM 0 HG12 ILE B 5 93.214 -15.728 27.793 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.686 -15.846 26.110 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.671 -17.103 28.011 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.237 -18.791 27.996 1.00 0.00 H new ATOM 0 HG23 ILE B 5 92.139 -17.558 28.909 1.00 0.00 H new ATOM 0 HD11 ILE B 5 92.025 -14.028 26.429 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.349 -15.315 25.402 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.869 -15.196 27.112 1.00 0.00 H new ATOM 923 N ASP B 6 92.784 -20.425 25.848 1.00 0.00 N ATOM 924 CA ASP B 6 92.357 -21.844 25.957 1.00 0.00 C ATOM 925 C ASP B 6 93.518 -22.671 26.511 1.00 0.00 C ATOM 926 O ASP B 6 93.347 -23.464 27.415 1.00 0.00 O ATOM 927 CB ASP B 6 91.963 -22.368 24.577 1.00 0.00 C ATOM 928 CG ASP B 6 91.353 -23.767 24.715 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.525 -24.366 25.760 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.724 -24.215 23.773 1.00 0.00 O ATOM 0 H ASP B 6 92.718 -20.015 24.916 1.00 0.00 H new ATOM 0 HA ASP B 6 91.499 -21.922 26.625 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.246 -21.692 24.111 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.837 -22.404 23.927 1.00 0.00 H new ATOM 935 N LYS B 7 94.706 -22.477 26.003 1.00 0.00 N ATOM 936 CA LYS B 7 95.865 -23.244 26.542 1.00 0.00 C ATOM 937 C LYS B 7 96.173 -22.751 27.959 1.00 0.00 C ATOM 938 O LYS B 7 96.412 -23.528 28.869 1.00 0.00 O ATOM 939 CB LYS B 7 97.087 -23.032 25.641 1.00 0.00 C ATOM 940 CG LYS B 7 98.231 -23.938 26.100 1.00 0.00 C ATOM 941 CD LYS B 7 99.446 -23.716 25.195 1.00 0.00 C ATOM 942 CE LYS B 7 100.571 -24.678 25.587 1.00 0.00 C ATOM 943 NZ LYS B 7 101.809 -24.310 24.846 1.00 0.00 N ATOM 0 H LYS B 7 94.922 -21.828 25.246 1.00 0.00 H new ATOM 0 HA LYS B 7 95.624 -24.307 26.568 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.829 -23.252 24.605 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.400 -21.989 25.677 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.490 -23.720 27.136 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.921 -24.982 26.062 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.168 -23.874 24.153 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.791 -22.685 25.281 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.748 -24.631 26.661 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.286 -25.704 25.356 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 102.577 -24.960 25.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.634 -24.376 23.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 102.082 -23.336 25.088 1.00 0.00 H new ATOM 957 N ALA B 8 96.156 -21.460 28.157 1.00 0.00 N ATOM 958 CA ALA B 8 96.435 -20.909 29.509 1.00 0.00 C ATOM 959 C ALA B 8 95.319 -21.320 30.461 1.00 0.00 C ATOM 960 O ALA B 8 95.547 -21.593 31.622 1.00 0.00 O ATOM 961 CB ALA B 8 96.508 -19.380 29.435 1.00 0.00 C ATOM 0 H ALA B 8 95.960 -20.764 27.437 1.00 0.00 H new ATOM 0 HA ALA B 8 97.386 -21.298 29.872 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.713 -18.977 30.427 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.306 -19.086 28.752 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.558 -18.987 29.073 1.00 0.00 H new ATOM 967 N GLN B 9 94.112 -21.356 29.981 1.00 0.00 N ATOM 968 CA GLN B 9 92.979 -21.735 30.864 1.00 0.00 C ATOM 969 C GLN B 9 93.265 -23.095 31.480 1.00 0.00 C ATOM 970 O GLN B 9 93.003 -23.324 32.644 1.00 0.00 O ATOM 971 CB GLN B 9 91.685 -21.797 30.051 1.00 0.00 C ATOM 972 CG GLN B 9 90.501 -22.018 30.997 1.00 0.00 C ATOM 973 CD GLN B 9 89.201 -22.047 30.192 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.153 -21.571 29.075 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.140 -22.601 30.711 1.00 0.00 N ATOM 0 H GLN B 9 93.860 -21.140 29.017 1.00 0.00 H new ATOM 0 HA GLN B 9 92.864 -20.991 31.652 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.550 -20.872 29.491 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.739 -22.606 29.322 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.626 -22.955 31.540 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.463 -21.222 31.740 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.180 -23.001 31.649 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.270 -22.635 30.179 1.00 0.00 H new ATOM 984 N GLU B 10 93.808 -23.999 30.719 1.00 0.00 N ATOM 985 CA GLU B 10 94.117 -25.335 31.283 1.00 0.00 C ATOM 986 C GLU B 10 95.098 -25.171 32.444 1.00 0.00 C ATOM 987 O GLU B 10 94.983 -25.823 33.463 1.00 0.00 O ATOM 988 CB GLU B 10 94.751 -26.217 30.205 1.00 0.00 C ATOM 989 CG GLU B 10 94.830 -27.658 30.704 1.00 0.00 C ATOM 990 CD GLU B 10 95.522 -28.525 29.654 1.00 0.00 C ATOM 991 OE1 GLU B 10 95.926 -27.982 28.640 1.00 0.00 O ATOM 992 OE2 GLU B 10 95.640 -29.714 29.882 1.00 0.00 O ATOM 0 H GLU B 10 94.050 -23.871 29.736 1.00 0.00 H new ATOM 0 HA GLU B 10 93.198 -25.803 31.636 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.161 -26.170 29.289 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.748 -25.851 29.961 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.380 -27.699 31.644 1.00 0.00 H new ATOM 0 HG3 GLU B 10 93.829 -28.040 30.904 1.00 0.00 H new ATOM 999 N GLU B 11 96.072 -24.306 32.299 1.00 0.00 N ATOM 1000 CA GLU B 11 97.051 -24.124 33.406 1.00 0.00 C ATOM 1001 C GLU B 11 96.314 -23.621 34.648 1.00 0.00 C ATOM 1002 O GLU B 11 96.586 -24.043 35.753 1.00 0.00 O ATOM 1003 CB GLU B 11 98.131 -23.111 32.992 1.00 0.00 C ATOM 1004 CG GLU B 11 99.385 -23.327 33.854 1.00 0.00 C ATOM 1005 CD GLU B 11 100.153 -24.548 33.332 1.00 0.00 C ATOM 1006 OE1 GLU B 11 100.219 -24.711 32.126 1.00 0.00 O ATOM 1007 OE2 GLU B 11 100.657 -25.299 34.148 1.00 0.00 O ATOM 0 H GLU B 11 96.228 -23.728 31.473 1.00 0.00 H new ATOM 0 HA GLU B 11 97.532 -25.077 33.627 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.375 -23.233 31.937 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.760 -22.094 33.118 1.00 0.00 H new ATOM 0 HG2 GLU B 11 100.020 -22.442 33.821 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.103 -23.478 34.896 1.00 0.00 H new ATOM 1014 N HIS B 12 95.370 -22.732 34.480 1.00 0.00 N ATOM 1015 CA HIS B 12 94.618 -22.226 35.666 1.00 0.00 C ATOM 1016 C HIS B 12 93.883 -23.385 36.341 1.00 0.00 C ATOM 1017 O HIS B 12 93.851 -23.497 37.547 1.00 0.00 O ATOM 1018 CB HIS B 12 93.589 -21.170 35.237 1.00 0.00 C ATOM 1019 CG HIS B 12 92.890 -20.669 36.472 1.00 0.00 C ATOM 1020 ND1 HIS B 12 93.121 -19.394 37.004 1.00 0.00 N ATOM 1021 CD2 HIS B 12 92.045 -21.298 37.350 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.435 -19.309 38.165 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.781 -20.437 38.395 1.00 0.00 N ATOM 0 H HIS B 12 95.089 -22.338 33.582 1.00 0.00 H new ATOM 0 HA HIS B 12 95.328 -21.777 36.360 1.00 0.00 H new ATOM 0 HB2 HIS B 12 94.081 -20.347 34.718 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.869 -21.601 34.541 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.653 -22.298 37.242 1.00 0.00 H new ATOM 0 HE1 HIS B 12 92.422 -18.445 38.813 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.188 -20.634 39.201 1.00 0.00 H new ATOM 1031 N GLU B 13 93.284 -24.244 35.572 1.00 0.00 N ATOM 1032 CA GLU B 13 92.547 -25.391 36.168 1.00 0.00 C ATOM 1033 C GLU B 13 93.503 -26.266 36.985 1.00 0.00 C ATOM 1034 O GLU B 13 93.195 -26.692 38.081 1.00 0.00 O ATOM 1035 CB GLU B 13 91.928 -26.226 35.043 1.00 0.00 C ATOM 1036 CG GLU B 13 91.037 -27.311 35.646 1.00 0.00 C ATOM 1037 CD GLU B 13 90.395 -28.133 34.525 1.00 0.00 C ATOM 1038 OE1 GLU B 13 90.476 -27.712 33.383 1.00 0.00 O ATOM 1039 OE2 GLU B 13 89.829 -29.170 34.832 1.00 0.00 O ATOM 0 H GLU B 13 93.272 -24.203 34.553 1.00 0.00 H new ATOM 0 HA GLU B 13 91.765 -25.013 36.826 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.344 -25.587 34.381 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.713 -26.680 34.438 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.626 -27.960 36.295 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.264 -26.857 36.266 1.00 0.00 H new ATOM 1046 N LYS B 14 94.650 -26.555 36.442 1.00 0.00 N ATOM 1047 CA LYS B 14 95.632 -27.428 37.152 1.00 0.00 C ATOM 1048 C LYS B 14 96.097 -26.837 38.491 1.00 0.00 C ATOM 1049 O LYS B 14 96.461 -27.574 39.386 1.00 0.00 O ATOM 1050 CB LYS B 14 96.866 -27.634 36.267 1.00 0.00 C ATOM 1051 CG LYS B 14 96.502 -28.480 35.048 1.00 0.00 C ATOM 1052 CD LYS B 14 97.777 -28.869 34.275 1.00 0.00 C ATOM 1053 CE LYS B 14 98.246 -27.716 33.381 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.206 -28.239 32.367 1.00 0.00 N ATOM 0 H LYS B 14 94.955 -26.222 35.528 1.00 0.00 H new ATOM 0 HA LYS B 14 95.124 -28.370 37.356 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.258 -26.669 35.946 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.655 -28.125 36.838 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.971 -29.378 35.364 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.828 -27.923 34.397 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.567 -29.134 34.978 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.583 -29.752 33.666 1.00 0.00 H new ATOM 0 HE2 LYS B 14 97.392 -27.254 32.886 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.722 -26.943 33.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.527 -27.459 31.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.025 -28.661 32.850 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 98.737 -28.962 31.785 1.00 0.00 H new ATOM 1068 N TYR B 15 96.166 -25.533 38.629 1.00 0.00 N ATOM 1069 CA TYR B 15 96.703 -24.958 39.912 1.00 0.00 C ATOM 1070 C TYR B 15 95.912 -23.735 40.389 1.00 0.00 C ATOM 1071 O TYR B 15 96.210 -23.184 41.428 1.00 0.00 O ATOM 1072 CB TYR B 15 98.143 -24.524 39.648 1.00 0.00 C ATOM 1073 CG TYR B 15 98.890 -25.665 39.001 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.384 -26.705 39.793 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.093 -25.680 37.608 1.00 0.00 C ATOM 1076 CE1 TYR B 15 100.078 -27.766 39.201 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.791 -26.741 37.021 1.00 0.00 C ATOM 1078 CZ TYR B 15 100.284 -27.784 37.817 1.00 0.00 C ATOM 1079 OH TYR B 15 100.976 -28.826 37.239 1.00 0.00 O ATOM 0 H TYR B 15 95.881 -24.851 37.926 1.00 0.00 H new ATOM 0 HA TYR B 15 96.627 -25.719 40.688 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.159 -23.648 39.000 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.627 -24.239 40.582 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.230 -26.690 40.862 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.712 -24.876 36.995 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.455 -28.572 39.813 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.950 -26.756 35.953 1.00 0.00 H new ATOM 0 HH TYR B 15 101.029 -28.686 36.271 1.00 0.00 H new ATOM 1089 N HIS B 16 94.950 -23.275 39.643 1.00 0.00 N ATOM 1090 CA HIS B 16 94.204 -22.058 40.079 1.00 0.00 C ATOM 1091 C HIS B 16 95.224 -20.957 40.341 1.00 0.00 C ATOM 1092 O HIS B 16 95.138 -20.227 41.309 1.00 0.00 O ATOM 1093 CB HIS B 16 93.401 -22.308 41.364 1.00 0.00 C ATOM 1094 CG HIS B 16 92.206 -23.191 41.101 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.009 -22.726 40.577 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.974 -24.528 41.347 1.00 0.00 C ATOM 1097 CE1 HIS B 16 90.121 -23.721 40.522 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.659 -24.854 40.985 1.00 0.00 N ATOM 0 H HIS B 16 94.648 -23.682 38.758 1.00 0.00 H new ATOM 0 HA HIS B 16 93.498 -21.779 39.297 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.043 -22.774 42.111 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.068 -21.356 41.778 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.696 -25.219 41.756 1.00 0.00 H new ATOM 0 HE1 HIS B 16 89.110 -23.624 40.155 1.00 0.00 H new ATOM 0 HE2 HIS B 16 90.207 -25.765 41.059 1.00 0.00 H new ATOM 1106 N SER B 17 96.211 -20.862 39.499 1.00 0.00 N ATOM 1107 CA SER B 17 97.272 -19.842 39.697 1.00 0.00 C ATOM 1108 C SER B 17 96.687 -18.425 39.688 1.00 0.00 C ATOM 1109 O SER B 17 95.647 -18.168 39.114 1.00 0.00 O ATOM 1110 CB SER B 17 98.301 -19.973 38.578 1.00 0.00 C ATOM 1111 OG SER B 17 97.670 -19.705 37.334 1.00 0.00 O ATOM 0 H SER B 17 96.329 -21.452 38.676 1.00 0.00 H new ATOM 0 HA SER B 17 97.741 -20.010 40.667 1.00 0.00 H new ATOM 0 HB2 SER B 17 99.124 -19.277 38.740 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.728 -20.976 38.575 1.00 0.00 H new ATOM 0 HG SER B 17 98.278 -19.939 36.602 1.00 0.00 H new ATOM 1117 N ASN B 18 97.373 -17.501 40.313 1.00 0.00 N ATOM 1118 CA ASN B 18 96.892 -16.091 40.345 1.00 0.00 C ATOM 1119 C ASN B 18 97.079 -15.469 38.961 1.00 0.00 C ATOM 1120 O ASN B 18 97.878 -15.929 38.170 1.00 0.00 O ATOM 1121 CB ASN B 18 97.704 -15.294 41.367 1.00 0.00 C ATOM 1122 CG ASN B 18 97.428 -15.828 42.776 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.222 -16.216 43.091 1.00 0.00 O flip ATOM 1124 ND2 ASN B 18 98.321 -15.894 43.602 1.00 0.00 N flip ATOM 0 H ASN B 18 98.251 -17.667 40.805 1.00 0.00 H new ATOM 0 HA ASN B 18 95.839 -16.071 40.624 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.767 -15.371 41.140 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.442 -14.238 41.310 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.264 -15.592 43.359 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.125 -16.252 44.537 1.00 0.00 H new ATOM 1131 N TRP B 19 96.347 -14.434 38.655 1.00 0.00 N ATOM 1132 CA TRP B 19 96.491 -13.801 37.313 1.00 0.00 C ATOM 1133 C TRP B 19 97.940 -13.367 37.079 1.00 0.00 C ATOM 1134 O TRP B 19 98.419 -13.356 35.963 1.00 0.00 O ATOM 1135 CB TRP B 19 95.547 -12.596 37.199 1.00 0.00 C ATOM 1136 CG TRP B 19 96.027 -11.457 38.044 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.580 -11.175 39.290 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.020 -10.438 37.727 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.227 -10.042 39.752 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.124 -9.551 38.827 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.829 -10.195 36.603 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.999 -8.463 38.810 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.713 -9.102 36.585 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.798 -8.237 37.686 1.00 0.00 C ATOM 0 H TRP B 19 95.659 -14.001 39.271 1.00 0.00 H new ATOM 0 HA TRP B 19 96.224 -14.532 36.549 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.480 -12.279 36.158 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.543 -12.885 37.509 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.839 -11.742 39.835 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.060 -9.621 40.666 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.771 -10.852 35.748 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.058 -7.800 39.661 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.331 -8.927 35.717 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.479 -7.399 37.665 1.00 0.00 H new ATOM 1155 N ARG B 20 98.646 -13.007 38.116 1.00 0.00 N ATOM 1156 CA ARG B 20 100.060 -12.573 37.923 1.00 0.00 C ATOM 1157 C ARG B 20 100.891 -13.733 37.375 1.00 0.00 C ATOM 1158 O ARG B 20 101.717 -13.563 36.503 1.00 0.00 O ATOM 1159 CB ARG B 20 100.646 -12.136 39.270 1.00 0.00 C ATOM 1160 CG ARG B 20 99.944 -10.864 39.762 1.00 0.00 C ATOM 1161 CD ARG B 20 100.626 -10.368 41.037 1.00 0.00 C ATOM 1162 NE ARG B 20 99.838 -9.251 41.640 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.053 -8.899 42.879 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.933 -9.544 43.595 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.389 -7.906 43.404 1.00 0.00 N ATOM 0 H ARG B 20 98.310 -12.994 39.079 1.00 0.00 H new ATOM 0 HA ARG B 20 100.084 -11.743 37.217 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.527 -12.934 40.003 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.716 -11.954 39.168 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.983 -10.093 38.992 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.891 -11.068 39.956 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.717 -11.186 41.752 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.637 -10.029 40.810 1.00 0.00 H new ATOM 0 HE ARG B 20 99.134 -8.765 41.085 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.452 -10.322 43.187 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.102 -9.270 44.563 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.699 -7.402 42.846 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.559 -7.634 44.372 1.00 0.00 H new ATOM 1179 N ALA B 21 100.679 -14.910 37.888 1.00 0.00 N ATOM 1180 CA ALA B 21 101.459 -16.085 37.412 1.00 0.00 C ATOM 1181 C ALA B 21 101.090 -16.400 35.960 1.00 0.00 C ATOM 1182 O ALA B 21 101.947 -16.602 35.120 1.00 0.00 O ATOM 1183 CB ALA B 21 101.136 -17.284 38.313 1.00 0.00 C ATOM 0 H ALA B 21 99.997 -15.111 38.619 1.00 0.00 H new ATOM 0 HA ALA B 21 102.526 -15.869 37.457 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.700 -18.154 37.977 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.409 -17.050 39.342 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.069 -17.501 38.261 1.00 0.00 H new ATOM 1189 N MET B 22 99.826 -16.439 35.652 1.00 0.00 N ATOM 1190 CA MET B 22 99.424 -16.731 34.248 1.00 0.00 C ATOM 1191 C MET B 22 99.977 -15.645 33.332 1.00 0.00 C ATOM 1192 O MET B 22 100.442 -15.909 32.241 1.00 0.00 O ATOM 1193 CB MET B 22 97.904 -16.749 34.145 1.00 0.00 C ATOM 1194 CG MET B 22 97.362 -17.975 34.877 1.00 0.00 C ATOM 1195 SD MET B 22 95.599 -18.161 34.513 1.00 0.00 S ATOM 1196 CE MET B 22 95.023 -16.727 35.450 1.00 0.00 C ATOM 0 H MET B 22 99.058 -16.283 36.305 1.00 0.00 H new ATOM 0 HA MET B 22 99.819 -17.702 33.951 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.488 -15.839 34.578 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.599 -16.772 33.099 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.905 -18.868 34.566 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.514 -17.868 35.951 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.953 -16.819 35.635 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.553 -16.677 36.401 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.216 -15.818 34.880 1.00 0.00 H new ATOM 1206 N ALA B 23 99.935 -14.424 33.776 1.00 0.00 N ATOM 1207 CA ALA B 23 100.462 -13.317 32.934 1.00 0.00 C ATOM 1208 C ALA B 23 101.921 -13.607 32.578 1.00 0.00 C ATOM 1209 O ALA B 23 102.323 -13.526 31.437 1.00 0.00 O ATOM 1210 CB ALA B 23 100.370 -11.998 33.710 1.00 0.00 C ATOM 0 H ALA B 23 99.560 -14.144 34.682 1.00 0.00 H new ATOM 0 HA ALA B 23 99.874 -13.237 32.020 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.756 -11.186 33.094 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.329 -11.797 33.965 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.959 -12.072 34.624 1.00 0.00 H new ATOM 1216 N SER B 24 102.714 -13.951 33.552 1.00 0.00 N ATOM 1217 CA SER B 24 104.150 -14.253 33.282 1.00 0.00 C ATOM 1218 C SER B 24 104.285 -15.567 32.509 1.00 0.00 C ATOM 1219 O SER B 24 105.156 -15.720 31.674 1.00 0.00 O ATOM 1220 CB SER B 24 104.904 -14.374 34.603 1.00 0.00 C ATOM 1221 OG SER B 24 106.297 -14.459 34.338 1.00 0.00 O ATOM 0 H SER B 24 102.430 -14.037 34.528 1.00 0.00 H new ATOM 0 HA SER B 24 104.569 -13.443 32.685 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.694 -13.512 35.236 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.570 -15.258 35.147 1.00 0.00 H new ATOM 0 HG SER B 24 106.787 -14.535 35.183 1.00 0.00 H new ATOM 1227 N ASP B 25 103.448 -16.524 32.795 1.00 0.00 N ATOM 1228 CA ASP B 25 103.546 -17.836 32.095 1.00 0.00 C ATOM 1229 C ASP B 25 103.350 -17.654 30.585 1.00 0.00 C ATOM 1230 O ASP B 25 104.025 -18.281 29.792 1.00 0.00 O ATOM 1231 CB ASP B 25 102.465 -18.770 32.640 1.00 0.00 C ATOM 1232 CG ASP B 25 102.703 -18.998 34.134 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.802 -18.726 34.589 1.00 0.00 O ATOM 1234 OD2 ASP B 25 101.779 -19.436 34.801 1.00 0.00 O ATOM 0 H ASP B 25 102.699 -16.455 33.484 1.00 0.00 H new ATOM 0 HA ASP B 25 104.534 -18.262 32.269 1.00 0.00 H new ATOM 0 HB2 ASP B 25 101.478 -18.336 32.479 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.486 -19.721 32.107 1.00 0.00 H new ATOM 1239 N PHE B 26 102.431 -16.804 30.186 1.00 0.00 N ATOM 1240 CA PHE B 26 102.177 -16.570 28.723 1.00 0.00 C ATOM 1241 C PHE B 26 102.552 -15.132 28.344 1.00 0.00 C ATOM 1242 O PHE B 26 102.390 -14.723 27.211 1.00 0.00 O ATOM 1243 CB PHE B 26 100.700 -16.817 28.430 1.00 0.00 C ATOM 1244 CG PHE B 26 100.398 -18.270 28.695 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.552 -19.209 27.671 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.977 -18.680 29.966 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.282 -20.559 27.914 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.707 -20.032 30.211 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.862 -20.972 29.184 1.00 0.00 C ATOM 0 H PHE B 26 101.841 -16.258 30.814 1.00 0.00 H new ATOM 0 HA PHE B 26 102.788 -17.254 28.134 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.077 -16.180 29.058 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.472 -16.565 27.394 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.880 -18.892 26.692 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.861 -17.954 30.757 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.397 -21.284 27.122 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.380 -20.349 31.190 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.657 -22.016 29.372 1.00 0.00 H new ATOM 1259 N ASN B 27 103.050 -14.367 29.281 1.00 0.00 N ATOM 1260 CA ASN B 27 103.441 -12.957 28.978 1.00 0.00 C ATOM 1261 C ASN B 27 102.244 -12.187 28.392 1.00 0.00 C ATOM 1262 O ASN B 27 102.353 -11.549 27.364 1.00 0.00 O ATOM 1263 CB ASN B 27 104.611 -12.942 27.987 1.00 0.00 C ATOM 1264 CG ASN B 27 105.816 -13.657 28.612 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.838 -13.911 29.800 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.832 -13.985 27.861 1.00 0.00 N ATOM 0 H ASN B 27 103.203 -14.659 30.246 1.00 0.00 H new ATOM 0 HA ASN B 27 103.751 -12.471 29.903 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.322 -13.435 27.059 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.874 -11.915 27.734 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.640 -14.453 28.272 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.818 -13.774 26.863 1.00 0.00 H new ATOM 1273 N LEU B 28 101.105 -12.244 29.048 1.00 0.00 N ATOM 1274 CA LEU B 28 99.884 -11.518 28.556 1.00 0.00 C ATOM 1275 C LEU B 28 99.504 -10.449 29.588 1.00 0.00 C ATOM 1276 O LEU B 28 99.777 -10.604 30.762 1.00 0.00 O ATOM 1277 CB LEU B 28 98.735 -12.527 28.416 1.00 0.00 C ATOM 1278 CG LEU B 28 99.094 -13.570 27.347 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.114 -14.746 27.427 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.027 -12.944 25.938 1.00 0.00 C ATOM 0 H LEU B 28 100.968 -12.768 29.912 1.00 0.00 H new ATOM 0 HA LEU B 28 100.079 -11.048 27.592 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.551 -13.019 29.371 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.815 -12.011 28.141 1.00 0.00 H new ATOM 0 HG LEU B 28 100.109 -13.922 27.530 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.370 -15.485 26.668 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.175 -15.204 28.414 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.099 -14.386 27.256 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.284 -13.697 25.193 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.018 -12.578 25.750 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.732 -12.115 25.874 1.00 0.00 H new ATOM 1292 N PRO B 29 98.881 -9.363 29.174 1.00 0.00 N ATOM 1293 CA PRO B 29 98.480 -8.272 30.117 1.00 0.00 C ATOM 1294 C PRO B 29 97.479 -8.767 31.181 1.00 0.00 C ATOM 1295 O PRO B 29 96.715 -9.676 30.936 1.00 0.00 O ATOM 1296 CB PRO B 29 97.831 -7.210 29.206 1.00 0.00 C ATOM 1297 CG PRO B 29 97.442 -7.948 27.968 1.00 0.00 C ATOM 1298 CD PRO B 29 98.490 -9.043 27.787 1.00 0.00 C ATOM 0 HA PRO B 29 99.331 -7.889 30.680 1.00 0.00 H new ATOM 0 HB2 PRO B 29 96.963 -6.757 29.685 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.529 -6.403 28.982 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.444 -8.375 28.065 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.421 -7.281 27.106 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.080 -9.912 27.273 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.339 -8.695 27.199 1.00 0.00 H new ATOM 1306 N PRO B 30 97.481 -8.173 32.355 1.00 0.00 N ATOM 1307 CA PRO B 30 96.554 -8.579 33.447 1.00 0.00 C ATOM 1308 C PRO B 30 95.128 -8.828 32.938 1.00 0.00 C ATOM 1309 O PRO B 30 94.456 -9.745 33.362 1.00 0.00 O ATOM 1310 CB PRO B 30 96.571 -7.386 34.420 1.00 0.00 C ATOM 1311 CG PRO B 30 97.850 -6.639 34.153 1.00 0.00 C ATOM 1312 CD PRO B 30 98.360 -7.063 32.762 1.00 0.00 C ATOM 0 HA PRO B 30 96.867 -9.517 33.906 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.705 -6.743 34.261 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.529 -7.728 35.454 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.678 -5.563 34.186 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.592 -6.866 34.918 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.306 -6.237 32.053 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.402 -7.380 32.804 1.00 0.00 H new ATOM 1320 N VAL B 31 94.659 -8.004 32.049 1.00 0.00 N ATOM 1321 CA VAL B 31 93.267 -8.178 31.540 1.00 0.00 C ATOM 1322 C VAL B 31 93.052 -9.601 31.064 1.00 0.00 C ATOM 1323 O VAL B 31 92.087 -10.238 31.433 1.00 0.00 O ATOM 1324 CB VAL B 31 93.032 -7.226 30.360 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.612 -7.392 29.785 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.218 -5.788 30.842 1.00 0.00 C ATOM 0 H VAL B 31 95.174 -7.219 31.651 1.00 0.00 H new ATOM 0 HA VAL B 31 92.571 -7.958 32.350 1.00 0.00 H new ATOM 0 HB VAL B 31 93.748 -7.462 29.572 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.475 -6.705 28.950 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.478 -8.416 29.437 1.00 0.00 H new ATOM 0 HG13 VAL B 31 90.878 -7.173 30.560 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.053 -5.102 30.011 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.502 -5.575 31.636 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.231 -5.660 31.223 1.00 0.00 H new ATOM 1336 N VAL B 32 93.913 -10.112 30.241 1.00 0.00 N ATOM 1337 CA VAL B 32 93.691 -11.494 29.761 1.00 0.00 C ATOM 1338 C VAL B 32 93.790 -12.462 30.935 1.00 0.00 C ATOM 1339 O VAL B 32 92.940 -13.307 31.136 1.00 0.00 O ATOM 1340 CB VAL B 32 94.729 -11.853 28.701 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.479 -13.288 28.219 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.599 -10.891 27.515 1.00 0.00 C ATOM 0 H VAL B 32 94.746 -9.643 29.885 1.00 0.00 H new ATOM 0 HA VAL B 32 92.698 -11.565 29.317 1.00 0.00 H new ATOM 0 HB VAL B 32 95.730 -11.775 29.126 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.217 -13.551 27.461 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.563 -13.975 29.061 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.479 -13.359 27.791 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.340 -11.146 26.757 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.600 -10.973 27.088 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.765 -9.869 27.856 1.00 0.00 H new ATOM 1352 N ALA B 33 94.822 -12.342 31.713 1.00 0.00 N ATOM 1353 CA ALA B 33 94.983 -13.253 32.878 1.00 0.00 C ATOM 1354 C ALA B 33 93.868 -13.022 33.902 1.00 0.00 C ATOM 1355 O ALA B 33 93.277 -13.962 34.399 1.00 0.00 O ATOM 1356 CB ALA B 33 96.338 -12.996 33.537 1.00 0.00 C ATOM 0 H ALA B 33 95.564 -11.652 31.595 1.00 0.00 H new ATOM 0 HA ALA B 33 94.927 -14.284 32.528 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.459 -13.662 34.391 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.134 -13.182 32.816 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.388 -11.961 33.874 1.00 0.00 H new ATOM 1362 N LYS B 34 93.569 -11.789 34.226 1.00 0.00 N ATOM 1363 CA LYS B 34 92.489 -11.539 35.219 1.00 0.00 C ATOM 1364 C LYS B 34 91.162 -12.066 34.682 1.00 0.00 C ATOM 1365 O LYS B 34 90.326 -12.532 35.430 1.00 0.00 O ATOM 1366 CB LYS B 34 92.361 -10.039 35.527 1.00 0.00 C ATOM 1367 CG LYS B 34 93.576 -9.551 36.332 1.00 0.00 C ATOM 1368 CD LYS B 34 93.234 -8.223 37.019 1.00 0.00 C ATOM 1369 CE LYS B 34 92.856 -7.173 35.972 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.952 -5.813 36.576 1.00 0.00 N ATOM 0 H LYS B 34 94.022 -10.956 33.849 1.00 0.00 H new ATOM 0 HA LYS B 34 92.745 -12.060 36.141 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.283 -9.476 34.597 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.446 -9.854 36.090 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.856 -10.296 37.076 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.434 -9.421 35.673 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.408 -8.367 37.716 1.00 0.00 H new ATOM 0 HD3 LYS B 34 94.087 -7.876 37.602 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.519 -7.248 35.110 1.00 0.00 H new ATOM 0 HE3 LYS B 34 91.843 -7.352 35.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.695 -5.099 35.865 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.302 -5.746 37.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.926 -5.645 36.900 1.00 0.00 H new ATOM 1384 N GLU B 35 90.951 -11.991 33.395 1.00 0.00 N ATOM 1385 CA GLU B 35 89.663 -12.483 32.836 1.00 0.00 C ATOM 1386 C GLU B 35 89.511 -13.978 33.111 1.00 0.00 C ATOM 1387 O GLU B 35 88.436 -14.450 33.427 1.00 0.00 O ATOM 1388 CB GLU B 35 89.615 -12.214 31.327 1.00 0.00 C ATOM 1389 CG GLU B 35 88.189 -12.440 30.800 1.00 0.00 C ATOM 1390 CD GLU B 35 87.932 -13.937 30.587 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.889 -14.694 30.579 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.780 -14.302 30.439 1.00 0.00 O ATOM 0 H GLU B 35 91.609 -11.614 32.714 1.00 0.00 H new ATOM 0 HA GLU B 35 88.840 -11.954 33.316 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.930 -11.191 31.121 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.312 -12.873 30.809 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.464 -12.037 31.507 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.051 -11.903 29.861 1.00 0.00 H new ATOM 1399 N ILE B 36 90.579 -14.730 33.019 1.00 0.00 N ATOM 1400 CA ILE B 36 90.472 -16.190 33.290 1.00 0.00 C ATOM 1401 C ILE B 36 89.985 -16.359 34.729 1.00 0.00 C ATOM 1402 O ILE B 36 89.167 -17.207 35.022 1.00 0.00 O ATOM 1403 CB ILE B 36 91.846 -16.863 33.114 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.326 -16.645 31.670 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.718 -18.368 33.397 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.651 -17.383 31.437 1.00 0.00 C ATOM 0 H ILE B 36 91.511 -14.397 32.770 1.00 0.00 H new ATOM 0 HA ILE B 36 89.776 -16.657 32.594 1.00 0.00 H new ATOM 0 HB ILE B 36 92.565 -16.429 33.809 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.572 -17.005 30.970 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.456 -15.580 31.479 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.690 -18.846 33.273 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.368 -18.518 34.418 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.005 -18.810 32.701 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.982 -17.222 30.411 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.405 -17.002 32.126 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.508 -18.450 31.609 1.00 0.00 H new ATOM 1418 N VAL B 37 90.476 -15.545 35.626 1.00 0.00 N ATOM 1419 CA VAL B 37 90.028 -15.646 37.043 1.00 0.00 C ATOM 1420 C VAL B 37 88.534 -15.339 37.106 1.00 0.00 C ATOM 1421 O VAL B 37 87.785 -15.968 37.827 1.00 0.00 O ATOM 1422 CB VAL B 37 90.785 -14.634 37.904 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.292 -14.742 39.346 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.284 -14.931 37.858 1.00 0.00 C ATOM 0 H VAL B 37 91.166 -14.817 35.438 1.00 0.00 H new ATOM 0 HA VAL B 37 90.225 -16.650 37.417 1.00 0.00 H new ATOM 0 HB VAL B 37 90.608 -13.628 37.523 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.826 -14.024 39.968 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.224 -14.529 39.382 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.474 -15.750 39.718 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.818 -14.207 38.473 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.468 -15.936 38.239 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.637 -14.863 36.829 1.00 0.00 H new ATOM 1434 N ALA B 38 88.097 -14.373 36.348 1.00 0.00 N ATOM 1435 CA ALA B 38 86.651 -14.022 36.343 1.00 0.00 C ATOM 1436 C ALA B 38 85.846 -15.249 35.909 1.00 0.00 C ATOM 1437 O ALA B 38 84.731 -15.458 36.338 1.00 0.00 O ATOM 1438 CB ALA B 38 86.412 -12.875 35.363 1.00 0.00 C ATOM 0 H ALA B 38 88.681 -13.810 35.730 1.00 0.00 H new ATOM 0 HA ALA B 38 86.338 -13.712 37.340 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.353 -12.616 35.357 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.996 -12.007 35.669 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.716 -13.182 34.362 1.00 0.00 H new ATOM 1444 N SER B 39 86.413 -16.062 35.057 1.00 0.00 N ATOM 1445 CA SER B 39 85.693 -17.278 34.587 1.00 0.00 C ATOM 1446 C SER B 39 85.719 -18.341 35.690 1.00 0.00 C ATOM 1447 O SER B 39 84.828 -19.158 35.799 1.00 0.00 O ATOM 1448 CB SER B 39 86.388 -17.814 33.333 1.00 0.00 C ATOM 1449 OG SER B 39 86.365 -16.816 32.321 1.00 0.00 O ATOM 0 H SER B 39 87.347 -15.934 34.666 1.00 0.00 H new ATOM 0 HA SER B 39 84.658 -17.031 34.352 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.417 -18.091 33.564 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.886 -18.716 32.982 1.00 0.00 H new ATOM 0 HG SER B 39 86.974 -16.088 32.565 1.00 0.00 H new ATOM 1455 N CYS B 40 86.735 -18.332 36.512 1.00 0.00 N ATOM 1456 CA CYS B 40 86.825 -19.334 37.618 1.00 0.00 C ATOM 1457 C CYS B 40 86.001 -18.847 38.814 1.00 0.00 C ATOM 1458 O CYS B 40 86.401 -17.954 39.533 1.00 0.00 O ATOM 1459 CB CYS B 40 88.290 -19.491 38.033 1.00 0.00 C ATOM 1460 SG CYS B 40 88.414 -20.673 39.397 1.00 0.00 S ATOM 0 H CYS B 40 87.511 -17.671 36.466 1.00 0.00 H new ATOM 0 HA CYS B 40 86.436 -20.294 37.280 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.883 -19.835 37.186 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.697 -18.527 38.337 1.00 0.00 H new ATOM 0 HG CYS B 40 89.318 -20.270 40.240 1.00 0.00 H new ATOM 1465 N ASP B 41 84.851 -19.426 39.027 1.00 0.00 N ATOM 1466 CA ASP B 41 83.992 -18.999 40.171 1.00 0.00 C ATOM 1467 C ASP B 41 84.709 -19.244 41.501 1.00 0.00 C ATOM 1468 O ASP B 41 84.473 -18.558 42.475 1.00 0.00 O ATOM 1469 CB ASP B 41 82.680 -19.786 40.144 1.00 0.00 C ATOM 1470 CG ASP B 41 81.840 -19.336 38.949 1.00 0.00 C ATOM 1471 OD1 ASP B 41 82.176 -18.318 38.363 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.876 -20.015 38.640 1.00 0.00 O ATOM 0 H ASP B 41 84.467 -20.179 38.457 1.00 0.00 H new ATOM 0 HA ASP B 41 83.785 -17.933 40.077 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.886 -20.854 40.076 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.129 -19.626 41.071 1.00 0.00 H new ATOM 1477 N LYS B 42 85.562 -20.232 41.567 1.00 0.00 N ATOM 1478 CA LYS B 42 86.256 -20.515 42.859 1.00 0.00 C ATOM 1479 C LYS B 42 87.268 -19.402 43.184 1.00 0.00 C ATOM 1480 O LYS B 42 87.384 -18.976 44.316 1.00 0.00 O ATOM 1481 CB LYS B 42 86.986 -21.863 42.754 1.00 0.00 C ATOM 1482 CG LYS B 42 85.962 -22.970 42.471 1.00 0.00 C ATOM 1483 CD LYS B 42 86.660 -24.331 42.411 1.00 0.00 C ATOM 1484 CE LYS B 42 85.638 -25.401 42.030 1.00 0.00 C ATOM 1485 NZ LYS B 42 85.099 -25.108 40.671 1.00 0.00 N ATOM 0 H LYS B 42 85.807 -20.849 40.793 1.00 0.00 H new ATOM 0 HA LYS B 42 85.516 -20.554 43.659 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.730 -21.827 41.958 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.521 -22.074 43.680 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.199 -22.978 43.250 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.453 -22.772 41.528 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.469 -24.307 41.681 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.109 -24.566 43.376 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.104 -26.386 42.044 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.827 -25.421 42.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.743 -25.986 40.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.323 -24.420 40.746 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.855 -24.714 40.075 1.00 0.00 H new ATOM 1499 N CYS B 43 87.995 -18.920 42.210 1.00 0.00 N ATOM 1500 CA CYS B 43 88.990 -17.836 42.484 1.00 0.00 C ATOM 1501 C CYS B 43 88.317 -16.455 42.441 1.00 0.00 C ATOM 1502 O CYS B 43 88.723 -15.539 43.128 1.00 0.00 O ATOM 1503 CB CYS B 43 90.108 -17.889 41.440 1.00 0.00 C ATOM 1504 SG CYS B 43 91.096 -19.385 41.690 1.00 0.00 S ATOM 0 H CYS B 43 87.945 -19.228 41.239 1.00 0.00 H new ATOM 0 HA CYS B 43 89.405 -17.992 43.480 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.683 -17.884 40.436 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.740 -17.005 41.523 1.00 0.00 H new ATOM 0 HG CYS B 43 92.162 -19.330 40.948 1.00 0.00 H new ATOM 1509 N GLN B 44 87.310 -16.286 41.628 1.00 0.00 N ATOM 1510 CA GLN B 44 86.640 -14.948 41.532 1.00 0.00 C ATOM 1511 C GLN B 44 85.858 -14.630 42.813 1.00 0.00 C ATOM 1512 O GLN B 44 85.941 -13.537 43.340 1.00 0.00 O ATOM 1513 CB GLN B 44 85.677 -14.959 40.339 1.00 0.00 C ATOM 1514 CG GLN B 44 85.133 -13.550 40.081 1.00 0.00 C ATOM 1515 CD GLN B 44 83.926 -13.646 39.149 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.160 -12.714 39.032 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.726 -14.746 38.474 1.00 0.00 N ATOM 0 H GLN B 44 86.920 -17.011 41.026 1.00 0.00 H new ATOM 0 HA GLN B 44 87.404 -14.182 41.398 1.00 0.00 H new ATOM 0 HB2 GLN B 44 86.192 -15.326 39.451 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.852 -15.644 40.535 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.846 -13.079 41.021 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.905 -12.924 39.634 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.371 -15.530 38.573 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.925 -14.821 37.848 1.00 0.00 H new