USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 742 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: B 45 HIS : no HD1:sc= -2.9! K(o=-6.1!,f=-2.7) USER MOD Set 1.2: B 48 GLN : amide:sc= -3.22! C(o=-6.1!,f=-6.3!) USER MOD Set 2.1: B 37 HIS : no HD1:sc= -0.416 K(o=-12,f=-13) USER MOD Set 2.2: C 37 HIS : no HD1:sc= -11.4! C(o=-12!,f=-16!) USER MOD Set 3.1: A 37 HIS : no HD1:sc= -17.3! C(o=-24!,f=-33!) USER MOD Set 3.2: D 37 HIS : no HD1:sc= -7.02! C(o=-24!,f=-30!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -80:sc= -0.86 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot -62:sc= 0.833 USER MOD Single : B 47 ASN : amide:sc= -4.14! C(o=-4.1!,f=-6.9!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot -103:sc= 1.04 USER MOD Single : C 45 HIS : no HD1:sc=-0.00773 X(o=-0.0077,f=0) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -92:sc= -0.227 USER MOD Single : D 45 HIS : no HD1:sc= -0.0954 X(o=-0.095,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 77.205 2.464 2.032 1.00 0.00 N ATOM 24 CA PRO A 25 77.791 1.656 0.919 1.00 0.00 C ATOM 25 C PRO A 25 78.127 2.528 -0.293 1.00 0.00 C ATOM 26 O PRO A 25 78.289 2.028 -1.406 1.00 0.00 O ATOM 27 CB PRO A 25 76.683 0.644 0.593 1.00 0.00 C ATOM 28 CG PRO A 25 75.413 1.331 0.984 1.00 0.00 C ATOM 29 CD PRO A 25 75.762 2.207 2.192 1.00 0.00 C ATOM 0 HA PRO A 25 78.733 1.181 1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.683 0.384 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.818 -0.284 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.027 1.935 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 25 74.639 0.606 1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 25 75.188 3.134 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 25 75.548 1.697 3.131 1.00 0.00 H new ATOM 37 N LEU A 26 78.222 3.808 -0.066 1.00 0.00 N ATOM 38 CA LEU A 26 78.533 4.748 -1.137 1.00 0.00 C ATOM 39 C LEU A 26 79.982 4.587 -1.595 1.00 0.00 C ATOM 40 O LEU A 26 80.267 4.569 -2.791 1.00 0.00 O ATOM 41 CB LEU A 26 78.297 6.184 -0.652 1.00 0.00 C ATOM 42 CG LEU A 26 78.514 7.185 -1.798 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.494 6.939 -2.926 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.346 8.608 -1.251 1.00 0.00 C ATOM 0 H LEU A 26 78.090 4.238 0.850 1.00 0.00 H new ATOM 0 HA LEU A 26 77.878 4.538 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.283 6.281 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 26 78.975 6.412 0.170 1.00 0.00 H new ATOM 0 HG LEU A 26 79.517 7.057 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.661 7.656 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.615 5.927 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.484 7.060 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 26 78.498 9.327 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 26 77.342 8.725 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.079 8.784 -0.464 1.00 0.00 H new ATOM 56 N VAL A 27 80.875 4.473 -0.649 1.00 0.00 N ATOM 57 CA VAL A 27 82.294 4.315 -0.958 1.00 0.00 C ATOM 58 C VAL A 27 82.578 2.936 -1.552 1.00 0.00 C ATOM 59 O VAL A 27 83.427 2.791 -2.430 1.00 0.00 O ATOM 60 CB VAL A 27 83.125 4.505 0.312 1.00 0.00 C ATOM 61 CG1 VAL A 27 82.751 3.428 1.332 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.612 4.388 -0.030 1.00 0.00 C ATOM 0 H VAL A 27 80.657 4.485 0.347 1.00 0.00 H new ATOM 0 HA VAL A 27 82.567 5.071 -1.695 1.00 0.00 H new ATOM 0 HB VAL A 27 82.925 5.490 0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 27 83.343 3.563 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 27 81.692 3.510 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 27 82.951 2.443 0.911 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.205 4.523 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 27 84.812 3.403 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 27 84.879 5.155 -0.757 1.00 0.00 H new ATOM 72 N VAL A 28 81.880 1.947 -1.067 1.00 0.00 N ATOM 73 CA VAL A 28 82.067 0.582 -1.549 1.00 0.00 C ATOM 74 C VAL A 28 81.542 0.429 -2.973 1.00 0.00 C ATOM 75 O VAL A 28 82.190 -0.181 -3.823 1.00 0.00 O ATOM 76 CB VAL A 28 81.342 -0.399 -0.628 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.535 -1.825 -1.149 1.00 0.00 C ATOM 78 CG2 VAL A 28 81.914 -0.287 0.790 1.00 0.00 C ATOM 0 H VAL A 28 81.173 2.047 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 28 83.135 0.364 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 28 80.278 -0.162 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.018 -2.525 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.126 -1.903 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 28 82.598 -2.064 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.397 -0.986 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 28 82.978 -0.524 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 28 81.774 0.729 1.160 1.00 0.00 H new ATOM 88 N ALA A 29 80.380 0.967 -3.217 1.00 0.00 N ATOM 89 CA ALA A 29 79.768 0.877 -4.538 1.00 0.00 C ATOM 90 C ALA A 29 80.764 1.287 -5.620 1.00 0.00 C ATOM 91 O ALA A 29 80.714 0.786 -6.744 1.00 0.00 O ATOM 92 CB ALA A 29 78.539 1.784 -4.606 1.00 0.00 C ATOM 0 H ALA A 29 79.828 1.475 -2.526 1.00 0.00 H new ATOM 0 HA ALA A 29 79.468 -0.157 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.088 1.711 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 29 77.815 1.473 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 29 78.837 2.815 -4.418 1.00 0.00 H new ATOM 98 N ALA A 30 81.649 2.181 -5.278 1.00 0.00 N ATOM 99 CA ALA A 30 82.655 2.654 -6.224 1.00 0.00 C ATOM 100 C ALA A 30 83.689 1.567 -6.517 1.00 0.00 C ATOM 101 O ALA A 30 84.266 1.526 -7.604 1.00 0.00 O ATOM 102 CB ALA A 30 83.359 3.888 -5.658 1.00 0.00 C ATOM 0 H ALA A 30 81.705 2.605 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 30 82.151 2.911 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.109 4.237 -6.368 1.00 0.00 H new ATOM 0 HB2 ALA A 30 82.627 4.677 -5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 30 83.843 3.631 -4.716 1.00 0.00 H new ATOM 108 N SER A 31 83.928 0.718 -5.556 1.00 0.00 N ATOM 109 CA SER A 31 84.911 -0.352 -5.715 1.00 0.00 C ATOM 110 C SER A 31 84.540 -1.290 -6.861 1.00 0.00 C ATOM 111 O SER A 31 85.395 -1.669 -7.663 1.00 0.00 O ATOM 112 CB SER A 31 85.021 -1.155 -4.417 1.00 0.00 C ATOM 113 OG SER A 31 86.001 -2.172 -4.576 1.00 0.00 O ATOM 0 H SER A 31 83.462 0.735 -4.649 1.00 0.00 H new ATOM 0 HA SER A 31 85.870 0.111 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.293 -0.498 -3.591 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.057 -1.598 -4.167 1.00 0.00 H new ATOM 0 HG SER A 31 86.075 -2.687 -3.746 1.00 0.00 H new ATOM 119 N ILE A 32 83.292 -1.663 -6.931 1.00 0.00 N ATOM 120 CA ILE A 32 82.832 -2.564 -7.983 1.00 0.00 C ATOM 121 C ILE A 32 83.252 -2.037 -9.356 1.00 0.00 C ATOM 122 O ILE A 32 83.473 -2.811 -10.288 1.00 0.00 O ATOM 123 CB ILE A 32 81.303 -2.709 -7.920 1.00 0.00 C ATOM 124 CG1 ILE A 32 80.911 -3.509 -6.669 1.00 0.00 C ATOM 125 CG2 ILE A 32 80.799 -3.453 -9.162 1.00 0.00 C ATOM 126 CD1 ILE A 32 81.218 -2.707 -5.397 1.00 0.00 C ATOM 0 H ILE A 32 82.567 -1.364 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 32 83.288 -3.542 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 32 80.856 -1.716 -7.880 1.00 0.00 H new ATOM 0 HG12 ILE A 32 79.849 -3.753 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.454 -4.454 -6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.715 -3.553 -9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.071 -2.893 -10.057 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.253 -4.443 -9.202 1.00 0.00 H new ATOM 0 HD11 ILE A 32 80.933 -3.290 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 32 82.285 -2.486 -5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 32 80.654 -1.774 -5.410 1.00 0.00 H new ATOM 138 N ILE A 33 83.357 -0.743 -9.467 1.00 0.00 N ATOM 139 CA ILE A 33 83.752 -0.121 -10.726 1.00 0.00 C ATOM 140 C ILE A 33 85.229 -0.400 -11.013 1.00 0.00 C ATOM 141 O ILE A 33 85.644 -0.466 -12.169 1.00 0.00 O ATOM 142 CB ILE A 33 83.493 1.398 -10.677 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.013 1.653 -10.307 1.00 0.00 C ATOM 144 CG2 ILE A 33 83.798 2.026 -12.052 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.613 3.096 -10.640 1.00 0.00 C ATOM 0 H ILE A 33 83.177 -0.087 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 33 83.154 -0.549 -11.530 1.00 0.00 H new ATOM 0 HB ILE A 33 84.141 1.851 -9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.372 0.958 -10.850 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.861 1.464 -9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.613 3.099 -12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.842 1.847 -12.310 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.155 1.576 -12.808 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.568 3.255 -10.372 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.241 3.787 -10.077 1.00 0.00 H new ATOM 0 HD13 ILE A 33 81.745 3.273 -11.707 1.00 0.00 H new ATOM 157 N GLY A 34 86.002 -0.554 -9.973 1.00 0.00 N ATOM 158 CA GLY A 34 87.431 -0.810 -10.127 1.00 0.00 C ATOM 159 C GLY A 34 87.702 -2.143 -10.821 1.00 0.00 C ATOM 160 O GLY A 34 88.534 -2.220 -11.725 1.00 0.00 O ATOM 0 H GLY A 34 85.679 -0.509 -9.006 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.884 -0.003 -10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.907 -0.808 -9.147 1.00 0.00 H new ATOM 164 N ILE A 35 87.020 -3.169 -10.400 1.00 0.00 N ATOM 165 CA ILE A 35 87.211 -4.491 -10.989 1.00 0.00 C ATOM 166 C ILE A 35 86.667 -4.540 -12.415 1.00 0.00 C ATOM 167 O ILE A 35 87.156 -5.305 -13.248 1.00 0.00 O ATOM 168 CB ILE A 35 86.513 -5.566 -10.140 1.00 0.00 C ATOM 169 CG1 ILE A 35 86.986 -5.476 -8.659 1.00 0.00 C ATOM 170 CG2 ILE A 35 86.861 -6.944 -10.715 1.00 0.00 C ATOM 171 CD1 ILE A 35 85.982 -4.673 -7.815 1.00 0.00 C ATOM 0 H ILE A 35 86.325 -3.130 -9.654 1.00 0.00 H new ATOM 0 HA ILE A 35 88.282 -4.689 -11.014 1.00 0.00 H new ATOM 0 HB ILE A 35 85.434 -5.411 -10.166 1.00 0.00 H new ATOM 0 HG12 ILE A 35 87.096 -6.479 -8.246 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.967 -5.003 -8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.373 -7.719 -10.124 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.517 -7.005 -11.747 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.941 -7.089 -10.683 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.332 -4.622 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.893 -3.664 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 35 85.009 -5.163 -7.844 1.00 0.00 H new ATOM 183 N LEU A 36 85.664 -3.749 -12.681 1.00 0.00 N ATOM 184 CA LEU A 36 85.050 -3.725 -14.005 1.00 0.00 C ATOM 185 C LEU A 36 86.046 -3.289 -15.077 1.00 0.00 C ATOM 186 O LEU A 36 86.070 -3.851 -16.170 1.00 0.00 O ATOM 187 CB LEU A 36 83.841 -2.776 -13.999 1.00 0.00 C ATOM 188 CG LEU A 36 83.092 -2.830 -15.362 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.579 -2.724 -15.134 1.00 0.00 C ATOM 190 CD2 LEU A 36 83.526 -1.664 -16.266 1.00 0.00 C ATOM 0 H LEU A 36 85.246 -3.108 -12.007 1.00 0.00 H new ATOM 0 HA LEU A 36 84.723 -4.737 -14.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.160 -3.051 -13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.173 -1.757 -13.801 1.00 0.00 H new ATOM 0 HG LEU A 36 83.337 -3.777 -15.842 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.063 -2.763 -16.093 1.00 0.00 H new ATOM 0 HD12 LEU A 36 81.246 -3.553 -14.509 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.351 -1.781 -14.637 1.00 0.00 H new ATOM 0 HD21 LEU A 36 82.991 -1.720 -17.214 1.00 0.00 H new ATOM 0 HD22 LEU A 36 83.297 -0.718 -15.775 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.598 -1.726 -16.451 1.00 0.00 H new ATOM 202 N HIS A 37 86.831 -2.293 -14.788 1.00 0.00 N ATOM 203 CA HIS A 37 87.792 -1.807 -15.770 1.00 0.00 C ATOM 204 C HIS A 37 88.895 -2.834 -16.029 1.00 0.00 C ATOM 205 O HIS A 37 89.469 -2.868 -17.118 1.00 0.00 O ATOM 206 CB HIS A 37 88.400 -0.471 -15.323 1.00 0.00 C ATOM 207 CG HIS A 37 89.271 -0.663 -14.113 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.233 -1.657 -14.038 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.344 0.019 -12.925 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.835 -1.549 -12.841 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.332 -0.543 -12.121 1.00 0.00 N ATOM 0 H HIS A 37 86.836 -1.798 -13.896 1.00 0.00 H new ATOM 0 HA HIS A 37 87.254 -1.649 -16.705 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.987 -0.043 -16.136 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.604 0.239 -15.096 1.00 0.00 H new ATOM 0 HD2 HIS A 37 88.728 0.864 -12.654 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.630 -2.197 -12.502 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.611 -0.250 -11.185 1.00 0.00 H new ATOM 220 N PHE A 38 89.196 -3.647 -15.049 1.00 0.00 N ATOM 221 CA PHE A 38 90.247 -4.652 -15.197 1.00 0.00 C ATOM 222 C PHE A 38 89.874 -5.722 -16.222 1.00 0.00 C ATOM 223 O PHE A 38 90.682 -6.064 -17.085 1.00 0.00 O ATOM 224 CB PHE A 38 90.523 -5.318 -13.846 1.00 0.00 C ATOM 225 CG PHE A 38 91.564 -6.403 -14.014 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.890 -6.060 -14.306 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.206 -7.752 -13.876 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.856 -7.063 -14.461 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.172 -8.753 -14.031 1.00 0.00 C ATOM 230 CZ PHE A 38 93.497 -8.409 -14.324 1.00 0.00 C ATOM 0 H PHE A 38 88.737 -3.642 -14.138 1.00 0.00 H new ATOM 0 HA PHE A 38 91.141 -4.141 -15.554 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.871 -4.575 -13.128 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.603 -5.743 -13.445 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.168 -5.022 -14.412 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.184 -8.019 -13.650 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.878 -6.797 -14.686 1.00 0.00 H new ATOM 0 HE2 PHE A 38 91.895 -9.791 -13.924 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.242 -9.182 -14.444 1.00 0.00 H new ATOM 240 N ILE A 39 88.686 -6.253 -16.125 1.00 0.00 N ATOM 241 CA ILE A 39 88.268 -7.294 -17.058 1.00 0.00 C ATOM 242 C ILE A 39 88.357 -6.788 -18.497 1.00 0.00 C ATOM 243 O ILE A 39 88.706 -7.544 -19.405 1.00 0.00 O ATOM 244 CB ILE A 39 86.846 -7.775 -16.729 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.341 -8.698 -17.844 1.00 0.00 C ATOM 246 CG2 ILE A 39 85.903 -6.580 -16.584 1.00 0.00 C ATOM 247 CD1 ILE A 39 85.088 -9.435 -17.367 1.00 0.00 C ATOM 0 H ILE A 39 87.991 -5.995 -15.425 1.00 0.00 H new ATOM 0 HA ILE A 39 88.943 -8.144 -16.955 1.00 0.00 H new ATOM 0 HB ILE A 39 86.869 -8.323 -15.787 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.116 -8.117 -18.738 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.116 -9.415 -18.117 1.00 0.00 H new ATOM 0 HG21 ILE A 39 84.899 -6.935 -16.351 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.255 -5.934 -15.780 1.00 0.00 H new ATOM 0 HG23 ILE A 39 85.882 -6.018 -17.518 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.728 -10.091 -18.159 1.00 0.00 H new ATOM 0 HD12 ILE A 39 85.329 -10.029 -16.485 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.313 -8.711 -17.116 1.00 0.00 H new ATOM 259 N ALA A 40 88.056 -5.534 -18.699 1.00 0.00 N ATOM 260 CA ALA A 40 88.121 -4.952 -20.033 1.00 0.00 C ATOM 261 C ALA A 40 89.571 -4.811 -20.489 1.00 0.00 C ATOM 262 O ALA A 40 89.881 -4.977 -21.669 1.00 0.00 O ATOM 263 CB ALA A 40 87.444 -3.581 -20.040 1.00 0.00 C ATOM 0 H ALA A 40 87.763 -4.888 -17.966 1.00 0.00 H new ATOM 0 HA ALA A 40 87.600 -5.616 -20.723 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.498 -3.154 -21.041 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.400 -3.689 -19.747 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.951 -2.921 -19.336 1.00 0.00 H new ATOM 269 N TRP A 41 90.438 -4.497 -19.565 1.00 0.00 N ATOM 270 CA TRP A 41 91.854 -4.322 -19.879 1.00 0.00 C ATOM 271 C TRP A 41 92.400 -5.540 -20.615 1.00 0.00 C ATOM 272 O TRP A 41 93.248 -5.416 -21.499 1.00 0.00 O ATOM 273 CB TRP A 41 92.650 -4.108 -18.589 1.00 0.00 C ATOM 274 CG TRP A 41 94.012 -3.582 -18.918 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.992 -4.282 -19.538 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.561 -2.260 -18.650 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.103 -3.469 -19.675 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.886 -2.216 -19.141 1.00 0.00 C ATOM 279 CE3 TRP A 41 94.042 -1.107 -18.036 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.668 -1.067 -19.029 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.828 0.051 -17.919 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.139 0.069 -18.415 1.00 0.00 C ATOM 0 H TRP A 41 90.201 -4.354 -18.583 1.00 0.00 H new ATOM 0 HA TRP A 41 91.956 -3.449 -20.523 1.00 0.00 H new ATOM 0 HB2 TRP A 41 92.126 -3.407 -17.939 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.735 -5.047 -18.042 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.918 -5.307 -19.871 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.975 -3.760 -20.117 1.00 0.00 H new ATOM 0 HE3 TRP A 41 93.033 -1.112 -17.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.677 -1.056 -19.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.421 0.932 -17.445 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.739 0.962 -18.322 1.00 0.00 H new ATOM 293 N THR A 42 91.914 -6.692 -20.253 1.00 0.00 N ATOM 294 CA THR A 42 92.361 -7.929 -20.886 1.00 0.00 C ATOM 295 C THR A 42 92.086 -7.896 -22.387 1.00 0.00 C ATOM 296 O THR A 42 92.877 -8.403 -23.184 1.00 0.00 O ATOM 297 CB THR A 42 91.645 -9.130 -20.260 1.00 0.00 C ATOM 298 OG1 THR A 42 90.244 -9.007 -20.468 1.00 0.00 O ATOM 299 CG2 THR A 42 91.939 -9.179 -18.760 1.00 0.00 C ATOM 0 H THR A 42 91.209 -6.815 -19.526 1.00 0.00 H new ATOM 0 HA THR A 42 93.435 -8.025 -20.727 1.00 0.00 H new ATOM 0 HB THR A 42 92.002 -10.048 -20.726 1.00 0.00 H new ATOM 0 HG1 THR A 42 89.869 -8.383 -19.811 1.00 0.00 H new ATOM 0 HG21 THR A 42 91.429 -10.034 -18.317 1.00 0.00 H new ATOM 0 HG22 THR A 42 93.013 -9.276 -18.603 1.00 0.00 H new ATOM 0 HG23 THR A 42 91.585 -8.262 -18.290 1.00 0.00 H new ATOM 307 N ILE A 43 90.977 -7.317 -22.758 1.00 0.00 N ATOM 308 CA ILE A 43 90.603 -7.235 -24.168 1.00 0.00 C ATOM 309 C ILE A 43 91.534 -6.282 -24.919 1.00 0.00 C ATOM 310 O ILE A 43 92.072 -6.639 -25.960 1.00 0.00 O ATOM 311 CB ILE A 43 89.138 -6.765 -24.289 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.192 -7.925 -23.947 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.840 -6.286 -25.719 1.00 0.00 C ATOM 314 CD1 ILE A 43 88.561 -8.516 -22.583 1.00 0.00 C ATOM 0 H ILE A 43 90.309 -6.892 -22.115 1.00 0.00 H new ATOM 0 HA ILE A 43 90.699 -8.224 -24.617 1.00 0.00 H new ATOM 0 HB ILE A 43 88.984 -5.939 -23.595 1.00 0.00 H new ATOM 0 HG12 ILE A 43 87.161 -7.572 -23.933 1.00 0.00 H new ATOM 0 HG13 ILE A 43 88.255 -8.695 -24.716 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.802 -5.959 -25.784 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.499 -5.455 -25.969 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.007 -7.105 -26.419 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.885 -9.338 -22.348 1.00 0.00 H new ATOM 0 HD12 ILE A 43 89.586 -8.886 -22.612 1.00 0.00 H new ATOM 0 HD13 ILE A 43 88.475 -7.745 -21.817 1.00 0.00 H new ATOM 326 N GLY A 44 91.706 -5.096 -24.396 1.00 0.00 N ATOM 327 CA GLY A 44 92.560 -4.087 -25.031 1.00 0.00 C ATOM 328 C GLY A 44 93.922 -4.655 -25.422 1.00 0.00 C ATOM 329 O GLY A 44 94.556 -4.180 -26.365 1.00 0.00 O ATOM 0 H GLY A 44 91.269 -4.790 -23.527 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.062 -3.697 -25.918 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.699 -3.248 -24.349 1.00 0.00 H new ATOM 333 N HIS A 45 94.357 -5.638 -24.703 1.00 0.00 N ATOM 334 CA HIS A 45 95.647 -6.264 -24.959 1.00 0.00 C ATOM 335 C HIS A 45 95.837 -6.640 -26.438 1.00 0.00 C ATOM 336 O HIS A 45 96.970 -6.757 -26.905 1.00 0.00 O ATOM 337 CB HIS A 45 95.785 -7.516 -24.090 1.00 0.00 C ATOM 338 CG HIS A 45 97.225 -7.963 -24.058 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.695 -9.010 -24.838 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.310 -7.515 -23.342 1.00 0.00 C ATOM 341 CE1 HIS A 45 99.007 -9.155 -24.575 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.432 -8.269 -23.671 1.00 0.00 N ATOM 0 H HIS A 45 93.842 -6.041 -23.920 1.00 0.00 H new ATOM 0 HA HIS A 45 96.419 -5.537 -24.708 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.438 -7.307 -23.078 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.156 -8.314 -24.484 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.294 -6.701 -22.632 1.00 0.00 H new ATOM 0 HE1 HIS A 45 99.639 -9.898 -25.039 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.377 -8.167 -23.301 1.00 0.00 H new ATOM 495 N PRO B 25 83.225 16.052 0.572 1.00 0.00 N ATOM 496 CA PRO B 25 83.273 14.693 -0.056 1.00 0.00 C ATOM 497 C PRO B 25 84.534 14.494 -0.906 1.00 0.00 C ATOM 498 O PRO B 25 84.469 14.401 -2.131 1.00 0.00 O ATOM 499 CB PRO B 25 81.983 14.634 -0.909 1.00 0.00 C ATOM 500 CG PRO B 25 81.552 16.058 -1.079 1.00 0.00 C ATOM 501 CD PRO B 25 82.016 16.792 0.174 1.00 0.00 C ATOM 0 HA PRO B 25 83.320 13.895 0.685 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.171 14.163 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.211 14.046 -0.413 1.00 0.00 H new ATOM 0 HG2 PRO B 25 81.995 16.495 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO B 25 80.470 16.127 -1.193 1.00 0.00 H new ATOM 0 HD2 PRO B 25 82.235 17.840 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.257 16.773 0.956 1.00 0.00 H new ATOM 509 N LEU B 26 85.662 14.427 -0.251 1.00 0.00 N ATOM 510 CA LEU B 26 86.930 14.234 -0.949 1.00 0.00 C ATOM 511 C LEU B 26 87.031 12.814 -1.509 1.00 0.00 C ATOM 512 O LEU B 26 87.373 12.619 -2.675 1.00 0.00 O ATOM 513 CB LEU B 26 88.097 14.501 0.010 1.00 0.00 C ATOM 514 CG LEU B 26 89.440 14.397 -0.731 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.537 15.485 -1.819 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.580 14.575 0.278 1.00 0.00 C ATOM 0 H LEU B 26 85.742 14.502 0.763 1.00 0.00 H new ATOM 0 HA LEU B 26 86.977 14.936 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.994 15.493 0.450 1.00 0.00 H new ATOM 0 HB3 LEU B 26 88.072 13.784 0.831 1.00 0.00 H new ATOM 0 HG LEU B 26 89.513 13.420 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.493 15.399 -2.335 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.725 15.357 -2.535 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.461 16.469 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.537 14.503 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.496 15.553 0.753 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.518 13.796 1.038 1.00 0.00 H new ATOM 528 N VAL B 27 86.745 11.845 -0.680 1.00 0.00 N ATOM 529 CA VAL B 27 86.814 10.443 -1.091 1.00 0.00 C ATOM 530 C VAL B 27 85.694 10.102 -2.073 1.00 0.00 C ATOM 531 O VAL B 27 85.905 9.370 -3.040 1.00 0.00 O ATOM 532 CB VAL B 27 86.708 9.535 0.135 1.00 0.00 C ATOM 533 CG1 VAL B 27 86.734 8.071 -0.308 1.00 0.00 C ATOM 534 CG2 VAL B 27 87.889 9.803 1.070 1.00 0.00 C ATOM 0 H VAL B 27 86.460 11.988 0.289 1.00 0.00 H new ATOM 0 HA VAL B 27 87.771 10.283 -1.587 1.00 0.00 H new ATOM 0 HB VAL B 27 85.774 9.740 0.658 1.00 0.00 H new ATOM 0 HG11 VAL B 27 86.658 7.425 0.567 1.00 0.00 H new ATOM 0 HG12 VAL B 27 85.894 7.878 -0.976 1.00 0.00 H new ATOM 0 HG13 VAL B 27 87.668 7.866 -0.831 1.00 0.00 H new ATOM 0 HG21 VAL B 27 87.815 9.156 1.944 1.00 0.00 H new ATOM 0 HG22 VAL B 27 88.822 9.598 0.545 1.00 0.00 H new ATOM 0 HG23 VAL B 27 87.873 10.846 1.387 1.00 0.00 H new ATOM 544 N VAL B 28 84.532 10.636 -1.826 1.00 0.00 N ATOM 545 CA VAL B 28 83.390 10.387 -2.700 1.00 0.00 C ATOM 546 C VAL B 28 83.596 11.091 -4.041 1.00 0.00 C ATOM 547 O VAL B 28 83.361 10.510 -5.101 1.00 0.00 O ATOM 548 CB VAL B 28 82.101 10.872 -2.031 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.942 10.832 -3.033 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.776 9.955 -0.849 1.00 0.00 C ATOM 0 H VAL B 28 84.337 11.247 -1.033 1.00 0.00 H new ATOM 0 HA VAL B 28 83.305 9.315 -2.879 1.00 0.00 H new ATOM 0 HB VAL B 28 82.239 11.896 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL B 28 80.030 11.179 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL B 28 81.171 11.479 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.800 9.810 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.859 10.294 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.642 8.934 -1.207 1.00 0.00 H new ATOM 0 HG23 VAL B 28 82.595 9.983 -0.131 1.00 0.00 H new ATOM 560 N ALA B 29 84.020 12.324 -3.983 1.00 0.00 N ATOM 561 CA ALA B 29 84.244 13.099 -5.200 1.00 0.00 C ATOM 562 C ALA B 29 85.079 12.298 -6.196 1.00 0.00 C ATOM 563 O ALA B 29 84.932 12.454 -7.409 1.00 0.00 O ATOM 564 CB ALA B 29 84.961 14.409 -4.864 1.00 0.00 C ATOM 0 H ALA B 29 84.220 12.823 -3.116 1.00 0.00 H new ATOM 0 HA ALA B 29 83.277 13.323 -5.650 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.123 14.980 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.349 14.992 -4.176 1.00 0.00 H new ATOM 0 HB3 ALA B 29 85.922 14.189 -4.398 1.00 0.00 H new ATOM 570 N ALA B 30 85.931 11.450 -5.688 1.00 0.00 N ATOM 571 CA ALA B 30 86.776 10.623 -6.544 1.00 0.00 C ATOM 572 C ALA B 30 85.916 9.721 -7.425 1.00 0.00 C ATOM 573 O ALA B 30 86.306 9.359 -8.536 1.00 0.00 O ATOM 574 CB ALA B 30 87.705 9.762 -5.685 1.00 0.00 C ATOM 0 H ALA B 30 86.068 11.305 -4.688 1.00 0.00 H new ATOM 0 HA ALA B 30 87.373 11.277 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.332 9.148 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.336 10.407 -5.073 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.109 9.118 -5.038 1.00 0.00 H new ATOM 580 N SER B 31 84.765 9.369 -6.924 1.00 0.00 N ATOM 581 CA SER B 31 83.848 8.507 -7.664 1.00 0.00 C ATOM 582 C SER B 31 83.560 9.088 -9.046 1.00 0.00 C ATOM 583 O SER B 31 83.429 8.352 -10.024 1.00 0.00 O ATOM 584 CB SER B 31 82.537 8.354 -6.890 1.00 0.00 C ATOM 585 OG SER B 31 81.673 7.478 -7.602 1.00 0.00 O ATOM 0 H SER B 31 84.427 9.659 -6.006 1.00 0.00 H new ATOM 0 HA SER B 31 84.316 7.530 -7.784 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.733 7.959 -5.893 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.062 9.326 -6.760 1.00 0.00 H new ATOM 0 HG SER B 31 80.832 7.376 -7.109 1.00 0.00 H new ATOM 591 N ILE B 32 83.460 10.386 -9.116 1.00 0.00 N ATOM 592 CA ILE B 32 83.183 11.061 -10.380 1.00 0.00 C ATOM 593 C ILE B 32 84.210 10.671 -11.441 1.00 0.00 C ATOM 594 O ILE B 32 83.889 10.577 -12.626 1.00 0.00 O ATOM 595 CB ILE B 32 83.214 12.576 -10.177 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.204 12.966 -9.096 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.851 13.275 -11.488 1.00 0.00 C ATOM 598 CD1 ILE B 32 82.430 14.423 -8.688 1.00 0.00 C ATOM 0 H ILE B 32 83.565 11.011 -8.317 1.00 0.00 H new ATOM 0 HA ILE B 32 82.194 10.755 -10.721 1.00 0.00 H new ATOM 0 HB ILE B 32 84.214 12.880 -9.868 1.00 0.00 H new ATOM 0 HG12 ILE B 32 81.188 12.835 -9.468 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.313 12.314 -8.230 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.873 14.355 -11.343 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.570 12.998 -12.259 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.851 12.971 -11.798 1.00 0.00 H new ATOM 0 HD11 ILE B 32 81.710 14.701 -7.918 1.00 0.00 H new ATOM 0 HD12 ILE B 32 83.441 14.539 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE B 32 82.299 15.069 -9.557 1.00 0.00 H new ATOM 610 N ILE B 33 85.421 10.448 -11.014 1.00 0.00 N ATOM 611 CA ILE B 33 86.488 10.065 -11.933 1.00 0.00 C ATOM 612 C ILE B 33 86.265 8.637 -12.437 1.00 0.00 C ATOM 613 O ILE B 33 86.639 8.300 -13.561 1.00 0.00 O ATOM 614 CB ILE B 33 87.860 10.181 -11.240 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.030 11.610 -10.676 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.983 9.885 -12.255 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.503 11.898 -10.357 1.00 0.00 C ATOM 0 H ILE B 33 85.707 10.521 -10.038 1.00 0.00 H new ATOM 0 HA ILE B 33 86.473 10.743 -12.787 1.00 0.00 H new ATOM 0 HB ILE B 33 87.917 9.460 -10.425 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.661 12.337 -11.399 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.429 11.724 -9.774 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.951 9.968 -11.761 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.862 8.876 -12.648 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.931 10.602 -13.074 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.599 12.909 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.861 11.183 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.097 11.807 -11.266 1.00 0.00 H new ATOM 629 N GLY B 34 85.676 7.817 -11.609 1.00 0.00 N ATOM 630 CA GLY B 34 85.423 6.424 -11.972 1.00 0.00 C ATOM 631 C GLY B 34 84.440 6.304 -13.136 1.00 0.00 C ATOM 632 O GLY B 34 84.663 5.528 -14.065 1.00 0.00 O ATOM 0 H GLY B 34 85.357 8.077 -10.676 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.363 5.943 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY B 34 85.028 5.890 -11.108 1.00 0.00 H new ATOM 636 N ILE B 35 83.369 7.048 -13.080 1.00 0.00 N ATOM 637 CA ILE B 35 82.364 6.993 -14.138 1.00 0.00 C ATOM 638 C ILE B 35 82.926 7.511 -15.462 1.00 0.00 C ATOM 639 O ILE B 35 82.668 6.935 -16.519 1.00 0.00 O ATOM 640 CB ILE B 35 81.124 7.806 -13.741 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.544 9.180 -13.213 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.353 7.062 -12.647 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.298 10.014 -12.913 1.00 0.00 C ATOM 0 H ILE B 35 83.159 7.699 -12.324 1.00 0.00 H new ATOM 0 HA ILE B 35 82.078 5.950 -14.273 1.00 0.00 H new ATOM 0 HB ILE B 35 80.490 7.935 -14.618 1.00 0.00 H new ATOM 0 HG12 ILE B 35 82.145 9.066 -12.310 1.00 0.00 H new ATOM 0 HG13 ILE B 35 82.167 9.689 -13.948 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.473 7.640 -12.365 1.00 0.00 H new ATOM 0 HG22 ILE B 35 80.043 6.086 -13.020 1.00 0.00 H new ATOM 0 HG23 ILE B 35 80.994 6.930 -11.776 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.597 10.992 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.715 10.139 -13.826 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.692 9.506 -12.162 1.00 0.00 H new ATOM 655 N LEU B 36 83.672 8.579 -15.402 1.00 0.00 N ATOM 656 CA LEU B 36 84.250 9.160 -16.611 1.00 0.00 C ATOM 657 C LEU B 36 85.149 8.147 -17.317 1.00 0.00 C ATOM 658 O LEU B 36 85.071 7.975 -18.534 1.00 0.00 O ATOM 659 CB LEU B 36 85.056 10.415 -16.247 1.00 0.00 C ATOM 660 CG LEU B 36 85.763 10.987 -17.486 1.00 0.00 C ATOM 661 CD1 LEU B 36 84.744 11.244 -18.608 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.444 12.305 -17.104 1.00 0.00 C ATOM 0 H LEU B 36 83.901 9.073 -14.539 1.00 0.00 H new ATOM 0 HA LEU B 36 83.442 9.434 -17.289 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.393 11.168 -15.821 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.793 10.170 -15.482 1.00 0.00 H new ATOM 0 HG LEU B 36 86.504 10.271 -17.842 1.00 0.00 H new ATOM 0 HD11 LEU B 36 85.257 11.649 -19.480 1.00 0.00 H new ATOM 0 HD12 LEU B 36 84.255 10.308 -18.877 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.996 11.958 -18.263 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.949 12.720 -17.976 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.695 13.012 -16.748 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.174 12.122 -16.315 1.00 0.00 H new ATOM 674 N HIS B 37 85.986 7.499 -16.559 1.00 0.00 N ATOM 675 CA HIS B 37 86.905 6.507 -17.106 1.00 0.00 C ATOM 676 C HIS B 37 86.162 5.508 -17.995 1.00 0.00 C ATOM 677 O HIS B 37 86.639 5.141 -19.068 1.00 0.00 O ATOM 678 CB HIS B 37 87.582 5.769 -15.943 1.00 0.00 C ATOM 679 CG HIS B 37 88.878 5.145 -16.389 1.00 0.00 C ATOM 680 ND1 HIS B 37 89.045 3.773 -16.481 1.00 0.00 N ATOM 681 CD2 HIS B 37 90.086 5.694 -16.736 1.00 0.00 C ATOM 682 CE1 HIS B 37 90.314 3.544 -16.865 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.992 4.681 -17.034 1.00 0.00 N ATOM 0 H HIS B 37 86.061 7.632 -15.551 1.00 0.00 H new ATOM 0 HA HIS B 37 87.653 7.010 -17.718 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.770 6.465 -15.125 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.915 4.998 -15.558 1.00 0.00 H new ATOM 0 HD2 HIS B 37 90.301 6.752 -16.772 1.00 0.00 H new ATOM 0 HE1 HIS B 37 90.733 2.560 -17.018 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.965 4.785 -17.320 1.00 0.00 H new ATOM 692 N PHE B 38 85.018 5.078 -17.540 1.00 0.00 N ATOM 693 CA PHE B 38 84.213 4.116 -18.288 1.00 0.00 C ATOM 694 C PHE B 38 83.655 4.734 -19.569 1.00 0.00 C ATOM 695 O PHE B 38 83.590 4.075 -20.607 1.00 0.00 O ATOM 696 CB PHE B 38 83.058 3.621 -17.414 1.00 0.00 C ATOM 697 CG PHE B 38 82.200 2.659 -18.203 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.646 1.352 -18.435 1.00 0.00 C ATOM 699 CD2 PHE B 38 80.956 3.072 -18.699 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.850 0.460 -19.164 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.161 2.180 -19.427 1.00 0.00 C ATOM 702 CZ PHE B 38 80.607 0.874 -19.660 1.00 0.00 C ATOM 0 H PHE B 38 84.610 5.372 -16.653 1.00 0.00 H new ATOM 0 HA PHE B 38 84.856 3.280 -18.565 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.448 3.129 -16.523 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.458 4.465 -17.075 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.604 1.032 -18.052 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.611 4.079 -18.519 1.00 0.00 H new ATOM 0 HE1 PHE B 38 82.195 -0.548 -19.344 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.203 2.499 -19.809 1.00 0.00 H new ATOM 0 HZ PHE B 38 79.993 0.186 -20.222 1.00 0.00 H new ATOM 712 N ILE B 39 83.249 5.971 -19.491 1.00 0.00 N ATOM 713 CA ILE B 39 82.686 6.653 -20.654 1.00 0.00 C ATOM 714 C ILE B 39 83.703 6.724 -21.789 1.00 0.00 C ATOM 715 O ILE B 39 83.357 6.532 -22.955 1.00 0.00 O ATOM 716 CB ILE B 39 82.233 8.064 -20.270 1.00 0.00 C ATOM 717 CG1 ILE B 39 81.079 7.961 -19.265 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.754 8.808 -21.524 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.705 9.351 -18.733 1.00 0.00 C ATOM 0 H ILE B 39 83.291 6.537 -18.644 1.00 0.00 H new ATOM 0 HA ILE B 39 81.824 6.082 -20.999 1.00 0.00 H new ATOM 0 HB ILE B 39 83.065 8.609 -19.824 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.213 7.503 -19.742 1.00 0.00 H new ATOM 0 HG13 ILE B 39 81.367 7.313 -18.437 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.432 9.813 -21.250 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.571 8.872 -22.243 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.919 8.268 -21.971 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.885 9.260 -18.021 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.568 9.795 -18.237 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.396 9.987 -19.563 1.00 0.00 H new ATOM 731 N ALA B 40 84.935 6.996 -21.455 1.00 0.00 N ATOM 732 CA ALA B 40 85.980 7.088 -22.465 1.00 0.00 C ATOM 733 C ALA B 40 86.286 5.710 -23.040 1.00 0.00 C ATOM 734 O ALA B 40 86.497 5.557 -24.244 1.00 0.00 O ATOM 735 CB ALA B 40 87.246 7.682 -21.848 1.00 0.00 C ATOM 0 H ALA B 40 85.249 7.159 -20.498 1.00 0.00 H new ATOM 0 HA ALA B 40 85.632 7.735 -23.270 1.00 0.00 H new ATOM 0 HB1 ALA B 40 88.024 7.749 -22.608 1.00 0.00 H new ATOM 0 HB2 ALA B 40 87.030 8.678 -21.462 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.588 7.044 -21.033 1.00 0.00 H new ATOM 741 N TRP B 41 86.320 4.729 -22.180 1.00 0.00 N ATOM 742 CA TRP B 41 86.615 3.362 -22.590 1.00 0.00 C ATOM 743 C TRP B 41 85.755 2.955 -23.783 1.00 0.00 C ATOM 744 O TRP B 41 86.180 2.163 -24.624 1.00 0.00 O ATOM 745 CB TRP B 41 86.355 2.416 -21.412 1.00 0.00 C ATOM 746 CG TRP B 41 87.074 1.118 -21.618 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.766 0.191 -22.556 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.209 0.585 -20.875 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.645 -0.870 -22.442 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.553 -0.675 -21.420 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.969 1.069 -19.795 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.611 -1.426 -20.911 1.00 0.00 C ATOM 753 CZ3 TRP B 41 90.034 0.313 -19.279 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.354 -0.932 -19.837 1.00 0.00 C ATOM 0 H TRP B 41 86.147 4.841 -21.181 1.00 0.00 H new ATOM 0 HA TRP B 41 87.661 3.301 -22.890 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.688 2.880 -20.484 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.285 2.235 -21.312 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.964 0.268 -23.276 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.625 -1.696 -23.040 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.732 2.029 -19.360 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.855 -2.385 -21.345 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.609 0.693 -18.448 1.00 0.00 H new ATOM 0 HH2 TRP B 41 91.175 -1.509 -19.437 1.00 0.00 H new ATOM 765 N THR B 42 84.574 3.498 -23.856 1.00 0.00 N ATOM 766 CA THR B 42 83.674 3.182 -24.959 1.00 0.00 C ATOM 767 C THR B 42 84.302 3.584 -26.290 1.00 0.00 C ATOM 768 O THR B 42 84.115 2.910 -27.304 1.00 0.00 O ATOM 769 CB THR B 42 82.344 3.915 -24.780 1.00 0.00 C ATOM 770 OG1 THR B 42 82.567 5.317 -24.820 1.00 0.00 O ATOM 771 CG2 THR B 42 81.726 3.532 -23.434 1.00 0.00 C ATOM 0 H THR B 42 84.201 4.160 -23.175 1.00 0.00 H new ATOM 0 HA THR B 42 83.496 2.107 -24.960 1.00 0.00 H new ATOM 0 HB THR B 42 81.663 3.633 -25.583 1.00 0.00 H new ATOM 0 HG1 THR B 42 83.147 5.577 -24.074 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.778 4.055 -23.307 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.554 2.456 -23.406 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.405 3.812 -22.629 1.00 0.00 H new ATOM 779 N ILE B 43 85.029 4.668 -26.284 1.00 0.00 N ATOM 780 CA ILE B 43 85.672 5.149 -27.501 1.00 0.00 C ATOM 781 C ILE B 43 86.770 4.186 -27.953 1.00 0.00 C ATOM 782 O ILE B 43 86.804 3.776 -29.111 1.00 0.00 O ATOM 783 CB ILE B 43 86.281 6.532 -27.250 1.00 0.00 C ATOM 784 CG1 ILE B 43 85.237 7.449 -26.594 1.00 0.00 C ATOM 785 CG2 ILE B 43 86.742 7.143 -28.575 1.00 0.00 C ATOM 786 CD1 ILE B 43 83.941 7.457 -27.413 1.00 0.00 C ATOM 0 H ILE B 43 85.198 5.242 -25.458 1.00 0.00 H new ATOM 0 HA ILE B 43 84.918 5.213 -28.286 1.00 0.00 H new ATOM 0 HB ILE B 43 87.138 6.429 -26.584 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.031 7.108 -25.579 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.632 8.462 -26.516 1.00 0.00 H new ATOM 0 HG21 ILE B 43 87.174 8.127 -28.391 1.00 0.00 H new ATOM 0 HG22 ILE B 43 87.491 6.497 -29.032 1.00 0.00 H new ATOM 0 HG23 ILE B 43 85.889 7.241 -29.247 1.00 0.00 H new ATOM 0 HD11 ILE B 43 83.212 8.111 -26.935 1.00 0.00 H new ATOM 0 HD12 ILE B 43 84.149 7.820 -28.420 1.00 0.00 H new ATOM 0 HD13 ILE B 43 83.539 6.445 -27.468 1.00 0.00 H new ATOM 798 N GLY B 44 87.651 3.840 -27.054 1.00 0.00 N ATOM 799 CA GLY B 44 88.752 2.936 -27.381 1.00 0.00 C ATOM 800 C GLY B 44 88.256 1.679 -28.093 1.00 0.00 C ATOM 801 O GLY B 44 88.898 1.188 -29.019 1.00 0.00 O ATOM 0 H GLY B 44 87.639 4.163 -26.087 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.472 3.453 -28.015 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.276 2.655 -26.467 1.00 0.00 H new ATOM 805 N HIS B 45 87.138 1.173 -27.657 1.00 0.00 N ATOM 806 CA HIS B 45 86.557 -0.030 -28.243 1.00 0.00 C ATOM 807 C HIS B 45 86.498 0.060 -29.768 1.00 0.00 C ATOM 808 O HIS B 45 86.484 -0.957 -30.457 1.00 0.00 O ATOM 809 CB HIS B 45 85.148 -0.240 -27.676 1.00 0.00 C ATOM 810 CG HIS B 45 84.696 -1.657 -27.919 1.00 0.00 C ATOM 811 ND1 HIS B 45 83.753 -1.979 -28.883 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.045 -2.847 -27.326 1.00 0.00 C ATOM 813 CE1 HIS B 45 83.570 -3.313 -28.843 1.00 0.00 C ATOM 814 NE2 HIS B 45 84.334 -3.889 -27.913 1.00 0.00 N ATOM 0 H HIS B 45 86.596 1.570 -26.890 1.00 0.00 H new ATOM 0 HA HIS B 45 87.192 -0.878 -27.986 1.00 0.00 H new ATOM 0 HB2 HIS B 45 85.143 -0.027 -26.607 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.452 0.457 -28.143 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.762 -2.957 -26.526 1.00 0.00 H new ATOM 0 HE1 HIS B 45 82.888 -3.851 -29.485 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.386 -4.881 -27.682 1.00 0.00 H new ATOM 823 N LEU B 46 86.432 1.253 -30.286 1.00 0.00 N ATOM 824 CA LEU B 46 86.339 1.437 -31.731 1.00 0.00 C ATOM 825 C LEU B 46 87.382 0.595 -32.481 1.00 0.00 C ATOM 826 O LEU B 46 87.139 0.175 -33.613 1.00 0.00 O ATOM 827 CB LEU B 46 86.490 2.940 -32.082 1.00 0.00 C ATOM 828 CG LEU B 46 87.985 3.362 -32.196 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.468 3.256 -33.660 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.164 4.817 -31.711 1.00 0.00 C ATOM 0 H LEU B 46 86.440 2.117 -29.744 1.00 0.00 H new ATOM 0 HA LEU B 46 85.356 1.092 -32.053 1.00 0.00 H new ATOM 0 HB2 LEU B 46 85.982 3.146 -33.024 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.000 3.543 -31.317 1.00 0.00 H new ATOM 0 HG LEU B 46 88.576 2.691 -31.573 1.00 0.00 H new ATOM 0 HD11 LEU B 46 89.515 3.555 -33.720 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.364 2.227 -34.004 1.00 0.00 H new ATOM 0 HD13 LEU B 46 87.867 3.912 -34.290 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.213 5.102 -31.795 1.00 0.00 H new ATOM 0 HD22 LEU B 46 87.557 5.482 -32.325 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.849 4.895 -30.670 1.00 0.00 H new ATOM 842 N ASN B 47 88.528 0.391 -31.890 1.00 0.00 N ATOM 843 CA ASN B 47 89.597 -0.357 -32.555 1.00 0.00 C ATOM 844 C ASN B 47 89.313 -1.860 -32.702 1.00 0.00 C ATOM 845 O ASN B 47 89.484 -2.411 -33.789 1.00 0.00 O ATOM 846 CB ASN B 47 90.911 -0.160 -31.793 1.00 0.00 C ATOM 847 CG ASN B 47 90.899 -0.961 -30.494 1.00 0.00 C ATOM 848 OD1 ASN B 47 91.050 -2.182 -30.515 1.00 0.00 O ATOM 849 ND2 ASN B 47 90.733 -0.343 -29.357 1.00 0.00 N ATOM 0 H ASN B 47 88.759 0.724 -30.954 1.00 0.00 H new ATOM 0 HA ASN B 47 89.664 0.043 -33.567 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.749 -0.475 -32.414 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.056 0.898 -31.574 1.00 0.00 H new ATOM 0 HD21 ASN B 47 90.728 -0.872 -28.485 1.00 0.00 H new ATOM 0 HD22 ASN B 47 90.608 0.669 -29.340 1.00 0.00 H new ATOM 856 N GLN B 48 88.933 -2.523 -31.637 1.00 0.00 N ATOM 857 CA GLN B 48 88.695 -3.943 -31.694 1.00 0.00 C ATOM 858 C GLN B 48 87.450 -4.287 -32.509 1.00 0.00 C ATOM 859 O GLN B 48 87.507 -5.114 -33.417 1.00 0.00 O ATOM 860 CB GLN B 48 88.586 -4.483 -30.262 1.00 0.00 C ATOM 861 CG GLN B 48 87.969 -3.445 -29.324 1.00 0.00 C ATOM 862 CD GLN B 48 87.686 -4.085 -27.969 1.00 0.00 C ATOM 863 OE1 GLN B 48 87.115 -5.174 -27.902 1.00 0.00 O ATOM 864 NE2 GLN B 48 88.054 -3.471 -26.878 1.00 0.00 N ATOM 0 H GLN B 48 88.782 -2.101 -30.721 1.00 0.00 H new ATOM 0 HA GLN B 48 89.533 -4.418 -32.205 1.00 0.00 H new ATOM 0 HB2 GLN B 48 87.978 -5.388 -30.257 1.00 0.00 H new ATOM 0 HB3 GLN B 48 89.575 -4.762 -29.900 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.647 -2.600 -29.204 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.046 -3.055 -29.753 1.00 0.00 H new ATOM 0 HE21 GLN B 48 88.527 -2.569 -26.935 1.00 0.00 H new ATOM 0 HE22 GLN B 48 87.869 -3.893 -25.968 1.00 0.00 H new ATOM 873 N ILE B 49 86.353 -3.677 -32.185 1.00 0.00 N ATOM 874 CA ILE B 49 85.108 -3.952 -32.900 1.00 0.00 C ATOM 875 C ILE B 49 85.347 -3.971 -34.412 1.00 0.00 C ATOM 876 O ILE B 49 85.315 -5.034 -35.034 1.00 0.00 O ATOM 877 CB ILE B 49 84.030 -2.921 -32.525 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.783 -3.161 -33.386 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.543 -1.480 -32.728 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.597 -2.403 -32.786 1.00 0.00 C ATOM 0 H ILE B 49 86.275 -2.987 -31.438 1.00 0.00 H new ATOM 0 HA ILE B 49 84.750 -4.938 -32.603 1.00 0.00 H new ATOM 0 HB ILE B 49 83.782 -3.042 -31.471 1.00 0.00 H new ATOM 0 HG12 ILE B 49 82.963 -2.826 -34.408 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.561 -4.227 -33.434 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.760 -0.773 -32.455 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.418 -1.313 -32.099 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.815 -1.334 -33.773 1.00 0.00 H new ATOM 0 HD11 ILE B 49 80.710 -2.573 -33.397 1.00 0.00 H new ATOM 0 HD12 ILE B 49 81.413 -2.759 -31.772 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.822 -1.337 -32.761 1.00 0.00 H new ATOM 967 N PRO C 25 95.645 9.620 5.375 1.00 0.00 N ATOM 968 CA PRO C 25 95.083 9.853 4.012 1.00 0.00 C ATOM 969 C PRO C 25 95.469 8.739 3.037 1.00 0.00 C ATOM 970 O PRO C 25 95.885 8.999 1.908 1.00 0.00 O ATOM 971 CB PRO C 25 95.705 11.196 3.610 1.00 0.00 C ATOM 972 CG PRO C 25 97.028 11.226 4.307 1.00 0.00 C ATOM 973 CD PRO C 25 96.845 10.442 5.616 1.00 0.00 C ATOM 0 HA PRO C 25 93.993 9.862 3.998 1.00 0.00 H new ATOM 0 HB2 PRO C 25 95.825 11.269 2.529 1.00 0.00 H new ATOM 0 HB3 PRO C 25 95.076 12.031 3.918 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.803 10.774 3.688 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.338 12.251 4.508 1.00 0.00 H new ATOM 0 HD2 PRO C 25 97.715 9.823 5.836 1.00 0.00 H new ATOM 0 HD3 PRO C 25 96.707 11.111 6.466 1.00 0.00 H new ATOM 981 N LEU C 26 95.328 7.518 3.476 1.00 0.00 N ATOM 982 CA LEU C 26 95.662 6.370 2.640 1.00 0.00 C ATOM 983 C LEU C 26 94.707 6.279 1.451 1.00 0.00 C ATOM 984 O LEU C 26 95.134 6.103 0.310 1.00 0.00 O ATOM 985 CB LEU C 26 95.582 5.085 3.474 1.00 0.00 C ATOM 986 CG LEU C 26 96.030 3.870 2.644 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.524 3.982 2.289 1.00 0.00 C ATOM 988 CD2 LEU C 26 95.790 2.596 3.463 1.00 0.00 C ATOM 0 H LEU C 26 94.985 7.280 4.407 1.00 0.00 H new ATOM 0 HA LEU C 26 96.677 6.494 2.261 1.00 0.00 H new ATOM 0 HB2 LEU C 26 96.212 5.180 4.359 1.00 0.00 H new ATOM 0 HB3 LEU C 26 94.561 4.936 3.824 1.00 0.00 H new ATOM 0 HG LEU C 26 95.456 3.835 1.718 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.824 3.114 1.702 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.693 4.889 1.709 1.00 0.00 H new ATOM 0 HD13 LEU C 26 98.114 4.022 3.205 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.104 1.727 2.885 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.366 2.644 4.387 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.730 2.510 3.700 1.00 0.00 H new ATOM 1000 N VAL C 27 93.436 6.393 1.724 1.00 0.00 N ATOM 1001 CA VAL C 27 92.423 6.318 0.676 1.00 0.00 C ATOM 1002 C VAL C 27 92.475 7.550 -0.224 1.00 0.00 C ATOM 1003 O VAL C 27 92.188 7.472 -1.418 1.00 0.00 O ATOM 1004 CB VAL C 27 91.033 6.203 1.302 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.975 6.168 0.198 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.950 4.916 2.127 1.00 0.00 C ATOM 0 H VAL C 27 93.064 6.539 2.663 1.00 0.00 H new ATOM 0 HA VAL C 27 92.627 5.435 0.070 1.00 0.00 H new ATOM 0 HB VAL C 27 90.855 7.063 1.948 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.985 6.086 0.646 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.033 7.084 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.153 5.309 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL C 27 89.959 4.833 2.574 1.00 0.00 H new ATOM 0 HG22 VAL C 27 91.129 4.057 1.480 1.00 0.00 H new ATOM 0 HG23 VAL C 27 91.702 4.940 2.915 1.00 0.00 H new ATOM 1016 N VAL C 28 92.837 8.663 0.349 1.00 0.00 N ATOM 1017 CA VAL C 28 92.923 9.910 -0.407 1.00 0.00 C ATOM 1018 C VAL C 28 94.095 9.866 -1.383 1.00 0.00 C ATOM 1019 O VAL C 28 93.949 10.189 -2.562 1.00 0.00 O ATOM 1020 CB VAL C 28 93.098 11.087 0.553 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.261 12.381 -0.247 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.868 11.197 1.455 1.00 0.00 C ATOM 0 H VAL C 28 93.080 8.747 1.336 1.00 0.00 H new ATOM 0 HA VAL C 28 92.000 10.036 -0.974 1.00 0.00 H new ATOM 0 HB VAL C 28 93.985 10.926 1.166 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.386 13.219 0.438 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.138 12.304 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.375 12.543 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL C 28 91.993 12.036 2.139 1.00 0.00 H new ATOM 0 HG22 VAL C 28 90.981 11.357 0.842 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.753 10.276 2.027 1.00 0.00 H new ATOM 1032 N ALA C 29 95.239 9.490 -0.885 1.00 0.00 N ATOM 1033 CA ALA C 29 96.443 9.426 -1.707 1.00 0.00 C ATOM 1034 C ALA C 29 96.187 8.668 -3.007 1.00 0.00 C ATOM 1035 O ALA C 29 96.744 9.008 -4.047 1.00 0.00 O ATOM 1036 CB ALA C 29 97.568 8.741 -0.930 1.00 0.00 C ATOM 0 H ALA C 29 95.377 9.220 0.089 1.00 0.00 H new ATOM 0 HA ALA C 29 96.734 10.446 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.464 8.697 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.782 9.308 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.262 7.730 -0.662 1.00 0.00 H new ATOM 1042 N ALA C 30 95.359 7.660 -2.946 1.00 0.00 N ATOM 1043 CA ALA C 30 95.047 6.869 -4.134 1.00 0.00 C ATOM 1044 C ALA C 30 94.353 7.725 -5.192 1.00 0.00 C ATOM 1045 O ALA C 30 94.473 7.470 -6.390 1.00 0.00 O ATOM 1046 CB ALA C 30 94.145 5.693 -3.755 1.00 0.00 C ATOM 0 H ALA C 30 94.883 7.358 -2.096 1.00 0.00 H new ATOM 0 HA ALA C 30 95.982 6.494 -4.549 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.917 5.108 -4.646 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.656 5.062 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.219 6.070 -3.321 1.00 0.00 H new ATOM 1052 N SER C 31 93.632 8.714 -4.743 1.00 0.00 N ATOM 1053 CA SER C 31 92.907 9.600 -5.650 1.00 0.00 C ATOM 1054 C SER C 31 93.820 10.118 -6.763 1.00 0.00 C ATOM 1055 O SER C 31 93.399 10.244 -7.913 1.00 0.00 O ATOM 1056 CB SER C 31 92.332 10.784 -4.873 1.00 0.00 C ATOM 1057 OG SER C 31 91.571 11.600 -5.755 1.00 0.00 O ATOM 0 H SER C 31 93.522 8.938 -3.754 1.00 0.00 H new ATOM 0 HA SER C 31 92.098 9.028 -6.104 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.704 10.427 -4.056 1.00 0.00 H new ATOM 0 HB3 SER C 31 93.138 11.366 -4.425 1.00 0.00 H new ATOM 0 HG SER C 31 91.200 12.359 -5.259 1.00 0.00 H new ATOM 1063 N ILE C 32 95.042 10.418 -6.419 1.00 0.00 N ATOM 1064 CA ILE C 32 96.001 10.933 -7.395 1.00 0.00 C ATOM 1065 C ILE C 32 96.106 10.007 -8.609 1.00 0.00 C ATOM 1066 O ILE C 32 96.405 10.453 -9.716 1.00 0.00 O ATOM 1067 CB ILE C 32 97.383 11.087 -6.737 1.00 0.00 C ATOM 1068 CG1 ILE C 32 98.278 11.983 -7.613 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.047 9.709 -6.573 1.00 0.00 C ATOM 1070 CD1 ILE C 32 97.775 13.437 -7.611 1.00 0.00 C ATOM 0 H ILE C 32 95.411 10.320 -5.473 1.00 0.00 H new ATOM 0 HA ILE C 32 95.648 11.906 -7.738 1.00 0.00 H new ATOM 0 HB ILE C 32 97.257 11.544 -5.755 1.00 0.00 H new ATOM 0 HG12 ILE C 32 99.304 11.949 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE C 32 98.293 11.601 -8.634 1.00 0.00 H new ATOM 0 HG21 ILE C 32 99.025 9.829 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.421 9.076 -5.945 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.167 9.244 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE C 32 98.425 14.048 -8.237 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.758 13.471 -8.002 1.00 0.00 H new ATOM 0 HD13 ILE C 32 97.785 13.824 -6.592 1.00 0.00 H new ATOM 1082 N ILE C 33 95.878 8.742 -8.390 1.00 0.00 N ATOM 1083 CA ILE C 33 95.966 7.760 -9.468 1.00 0.00 C ATOM 1084 C ILE C 33 94.814 7.929 -10.459 1.00 0.00 C ATOM 1085 O ILE C 33 94.995 7.745 -11.664 1.00 0.00 O ATOM 1086 CB ILE C 33 95.969 6.329 -8.894 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.113 6.197 -7.860 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.175 5.313 -10.035 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.427 4.721 -7.582 1.00 0.00 C ATOM 0 H ILE C 33 95.629 8.354 -7.480 1.00 0.00 H new ATOM 0 HA ILE C 33 96.902 7.928 -10.001 1.00 0.00 H new ATOM 0 HB ILE C 33 95.015 6.128 -8.407 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.006 6.700 -8.232 1.00 0.00 H new ATOM 0 HG13 ILE C 33 96.830 6.695 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.177 4.302 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.366 5.410 -10.759 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.128 5.507 -10.527 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.234 4.652 -6.853 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.538 4.228 -7.188 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.732 4.233 -8.508 1.00 0.00 H new ATOM 1101 N GLY C 34 93.652 8.258 -9.964 1.00 0.00 N ATOM 1102 CA GLY C 34 92.488 8.426 -10.831 1.00 0.00 C ATOM 1103 C GLY C 34 92.677 9.579 -11.811 1.00 0.00 C ATOM 1104 O GLY C 34 92.461 9.427 -13.011 1.00 0.00 O ATOM 0 H GLY C 34 93.473 8.417 -8.973 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.310 7.504 -11.384 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.603 8.608 -10.221 1.00 0.00 H new ATOM 1108 N ILE C 35 93.079 10.706 -11.304 1.00 0.00 N ATOM 1109 CA ILE C 35 93.297 11.874 -12.147 1.00 0.00 C ATOM 1110 C ILE C 35 94.526 11.662 -13.031 1.00 0.00 C ATOM 1111 O ILE C 35 94.615 12.201 -14.133 1.00 0.00 O ATOM 1112 CB ILE C 35 93.481 13.115 -11.265 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.834 14.341 -12.122 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.605 12.860 -10.263 1.00 0.00 C ATOM 1115 CD1 ILE C 35 92.775 14.550 -13.210 1.00 0.00 C ATOM 0 H ILE C 35 93.266 10.855 -10.313 1.00 0.00 H new ATOM 0 HA ILE C 35 92.430 12.021 -12.791 1.00 0.00 H new ATOM 0 HB ILE C 35 92.547 13.312 -10.739 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.898 15.228 -11.492 1.00 0.00 H new ATOM 0 HG13 ILE C 35 94.814 14.204 -12.580 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.739 13.740 -9.634 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.349 12.004 -9.639 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.531 12.654 -10.800 1.00 0.00 H new ATOM 0 HD11 ILE C 35 93.037 15.422 -13.810 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.732 13.669 -13.850 1.00 0.00 H new ATOM 0 HD13 ILE C 35 91.802 14.709 -12.745 1.00 0.00 H new ATOM 1127 N LEU C 36 95.459 10.897 -12.532 1.00 0.00 N ATOM 1128 CA LEU C 36 96.693 10.624 -13.263 1.00 0.00 C ATOM 1129 C LEU C 36 96.415 9.947 -14.606 1.00 0.00 C ATOM 1130 O LEU C 36 96.951 10.361 -15.634 1.00 0.00 O ATOM 1131 CB LEU C 36 97.603 9.732 -12.411 1.00 0.00 C ATOM 1132 CG LEU C 36 98.854 9.316 -13.199 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.557 10.553 -13.775 1.00 0.00 C ATOM 1134 CD2 LEU C 36 99.810 8.581 -12.254 1.00 0.00 C ATOM 0 H LEU C 36 95.399 10.445 -11.620 1.00 0.00 H new ATOM 0 HA LEU C 36 97.185 11.575 -13.466 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.898 10.264 -11.507 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.056 8.844 -12.094 1.00 0.00 H new ATOM 0 HG LEU C 36 98.562 8.664 -14.023 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.442 10.243 -14.331 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.876 11.081 -14.442 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.853 11.215 -12.961 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.703 8.280 -12.802 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.092 9.243 -11.435 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.316 7.697 -11.852 1.00 0.00 H new ATOM 1146 N HIS C 37 95.618 8.911 -14.594 1.00 0.00 N ATOM 1147 CA HIS C 37 95.322 8.187 -15.829 1.00 0.00 C ATOM 1148 C HIS C 37 94.672 9.093 -16.872 1.00 0.00 C ATOM 1149 O HIS C 37 94.820 8.867 -18.074 1.00 0.00 O ATOM 1150 CB HIS C 37 94.424 6.974 -15.549 1.00 0.00 C ATOM 1151 CG HIS C 37 93.060 7.417 -15.090 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.326 8.387 -15.757 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.281 7.019 -14.035 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.163 8.539 -15.098 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.084 7.729 -14.040 1.00 0.00 N ATOM 0 H HIS C 37 95.161 8.543 -13.760 1.00 0.00 H new ATOM 0 HA HIS C 37 96.272 7.836 -16.233 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.331 6.368 -16.450 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.883 6.344 -14.787 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.555 6.268 -13.309 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.388 9.232 -15.390 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.312 7.648 -13.378 1.00 0.00 H new ATOM 1164 N PHE C 38 93.960 10.091 -16.429 1.00 0.00 N ATOM 1165 CA PHE C 38 93.292 11.005 -17.351 1.00 0.00 C ATOM 1166 C PHE C 38 94.304 11.721 -18.242 1.00 0.00 C ATOM 1167 O PHE C 38 94.089 11.870 -19.445 1.00 0.00 O ATOM 1168 CB PHE C 38 92.483 12.037 -16.567 1.00 0.00 C ATOM 1169 CG PHE C 38 91.644 12.851 -17.525 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.507 12.283 -18.112 1.00 0.00 C ATOM 1171 CD2 PHE C 38 92.003 14.171 -17.829 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.728 13.034 -19.001 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.224 14.921 -18.718 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.086 14.352 -19.304 1.00 0.00 C ATOM 0 H PHE C 38 93.819 10.303 -15.441 1.00 0.00 H new ATOM 0 HA PHE C 38 92.625 10.420 -17.984 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.843 11.537 -15.840 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.152 12.690 -16.007 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.231 11.265 -17.879 1.00 0.00 H new ATOM 0 HD2 PHE C 38 92.881 14.610 -17.377 1.00 0.00 H new ATOM 0 HE1 PHE C 38 88.851 12.596 -19.453 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.500 15.938 -18.952 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.485 14.931 -19.990 1.00 0.00 H new ATOM 1184 N ILE C 39 95.380 12.165 -17.654 1.00 0.00 N ATOM 1185 CA ILE C 39 96.413 12.878 -18.401 1.00 0.00 C ATOM 1186 C ILE C 39 96.968 12.015 -19.531 1.00 0.00 C ATOM 1187 O ILE C 39 97.136 12.485 -20.656 1.00 0.00 O ATOM 1188 CB ILE C 39 97.550 13.280 -17.462 1.00 0.00 C ATOM 1189 CG1 ILE C 39 96.985 14.095 -16.297 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.569 14.127 -18.227 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.078 14.315 -15.249 1.00 0.00 C ATOM 0 H ILE C 39 95.577 12.052 -16.660 1.00 0.00 H new ATOM 0 HA ILE C 39 95.961 13.770 -18.836 1.00 0.00 H new ATOM 0 HB ILE C 39 98.037 12.384 -17.078 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.614 15.054 -16.657 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.139 13.573 -15.851 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.380 14.414 -17.557 1.00 0.00 H new ATOM 0 HG22 ILE C 39 98.972 13.548 -19.058 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.082 15.023 -18.611 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.675 14.896 -14.419 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.428 13.351 -14.881 1.00 0.00 H new ATOM 0 HD13 ILE C 39 98.910 14.856 -15.699 1.00 0.00 H new ATOM 1203 N ALA C 40 97.247 10.776 -19.232 1.00 0.00 N ATOM 1204 CA ALA C 40 97.784 9.866 -20.236 1.00 0.00 C ATOM 1205 C ALA C 40 96.718 9.523 -21.275 1.00 0.00 C ATOM 1206 O ALA C 40 97.009 9.418 -22.467 1.00 0.00 O ATOM 1207 CB ALA C 40 98.281 8.586 -19.562 1.00 0.00 C ATOM 0 H ALA C 40 97.116 10.364 -18.308 1.00 0.00 H new ATOM 0 HA ALA C 40 98.616 10.357 -20.740 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.681 7.909 -20.317 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.063 8.833 -18.844 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.453 8.102 -19.044 1.00 0.00 H new ATOM 1213 N TRP C 41 95.509 9.350 -20.818 1.00 0.00 N ATOM 1214 CA TRP C 41 94.399 9.010 -21.706 1.00 0.00 C ATOM 1215 C TRP C 41 94.356 9.953 -22.906 1.00 0.00 C ATOM 1216 O TRP C 41 93.925 9.571 -23.993 1.00 0.00 O ATOM 1217 CB TRP C 41 93.078 9.103 -20.931 1.00 0.00 C ATOM 1218 CG TRP C 41 91.996 8.386 -21.676 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.434 8.810 -22.832 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.331 7.134 -21.333 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.474 7.896 -23.223 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.373 6.848 -22.333 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.466 6.228 -20.265 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.577 5.704 -22.276 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.662 5.078 -20.205 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.721 4.817 -21.210 1.00 0.00 C ATOM 0 H TRP C 41 95.253 9.436 -19.835 1.00 0.00 H new ATOM 0 HA TRP C 41 94.544 7.993 -22.071 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.198 8.668 -19.939 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.803 10.148 -20.790 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.693 9.715 -23.362 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.909 7.986 -24.067 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.191 6.418 -19.488 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.853 5.506 -23.053 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.770 4.390 -19.379 1.00 0.00 H new ATOM 0 HH2 TRP C 41 89.108 3.929 -21.159 1.00 0.00 H new ATOM 1237 N THR C 42 94.805 11.161 -22.706 1.00 0.00 N ATOM 1238 CA THR C 42 94.814 12.147 -23.782 1.00 0.00 C ATOM 1239 C THR C 42 95.686 11.673 -24.943 1.00 0.00 C ATOM 1240 O THR C 42 95.364 11.902 -26.108 1.00 0.00 O ATOM 1241 CB THR C 42 95.344 13.485 -23.261 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.685 13.322 -22.821 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.476 13.962 -22.095 1.00 0.00 C ATOM 0 H THR C 42 95.171 11.498 -21.816 1.00 0.00 H new ATOM 0 HA THR C 42 93.792 12.272 -24.138 1.00 0.00 H new ATOM 0 HB THR C 42 95.311 14.225 -24.061 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.706 13.282 -21.842 1.00 0.00 H new ATOM 0 HG21 THR C 42 94.855 14.915 -21.725 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.448 14.087 -22.434 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.506 13.224 -21.293 1.00 0.00 H new ATOM 1251 N ILE C 43 96.777 11.035 -24.618 1.00 0.00 N ATOM 1252 CA ILE C 43 97.700 10.544 -25.638 1.00 0.00 C ATOM 1253 C ILE C 43 97.036 9.494 -26.529 1.00 0.00 C ATOM 1254 O ILE C 43 97.097 9.582 -27.755 1.00 0.00 O ATOM 1255 CB ILE C 43 98.927 9.928 -24.960 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.494 10.904 -23.917 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.995 9.618 -26.010 1.00 0.00 C ATOM 1258 CD1 ILE C 43 99.737 12.281 -24.548 1.00 0.00 C ATOM 0 H ILE C 43 97.060 10.837 -23.658 1.00 0.00 H new ATOM 0 HA ILE C 43 97.996 11.387 -26.263 1.00 0.00 H new ATOM 0 HB ILE C 43 98.633 9.004 -24.461 1.00 0.00 H new ATOM 0 HG12 ILE C 43 98.800 10.997 -23.082 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.428 10.512 -23.513 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.867 9.180 -25.524 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.594 8.914 -26.740 1.00 0.00 H new ATOM 0 HG23 ILE C 43 100.286 10.539 -26.516 1.00 0.00 H new ATOM 0 HD11 ILE C 43 100.138 12.960 -23.796 1.00 0.00 H new ATOM 0 HD12 ILE C 43 100.449 12.185 -25.368 1.00 0.00 H new ATOM 0 HD13 ILE C 43 98.796 12.678 -24.930 1.00 0.00 H new ATOM 1270 N GLY C 44 96.429 8.514 -25.920 1.00 0.00 N ATOM 1271 CA GLY C 44 95.776 7.441 -26.667 1.00 0.00 C ATOM 1272 C GLY C 44 94.844 7.984 -27.745 1.00 0.00 C ATOM 1273 O GLY C 44 94.654 7.355 -28.785 1.00 0.00 O ATOM 0 H GLY C 44 96.365 8.424 -24.906 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.533 6.807 -27.128 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.209 6.813 -25.980 1.00 0.00 H new ATOM 1277 N HIS C 45 94.267 9.124 -27.492 1.00 0.00 N ATOM 1278 CA HIS C 45 93.341 9.741 -28.438 1.00 0.00 C ATOM 1279 C HIS C 45 93.924 9.803 -29.852 1.00 0.00 C ATOM 1280 O HIS C 45 93.179 9.816 -30.832 1.00 0.00 O ATOM 1281 CB HIS C 45 92.988 11.155 -27.975 1.00 0.00 C ATOM 1282 CG HIS C 45 91.848 11.684 -28.803 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.910 12.909 -29.451 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.611 11.166 -29.100 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.744 13.084 -30.099 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.916 12.051 -29.918 1.00 0.00 N ATOM 0 H HIS C 45 94.414 9.659 -26.636 1.00 0.00 H new ATOM 0 HA HIS C 45 92.445 9.121 -28.469 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.712 11.146 -26.921 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.855 11.808 -28.072 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.235 10.216 -28.751 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.506 13.954 -30.693 1.00 0.00 H new ATOM 0 HE2 HIS C 45 88.976 11.936 -30.298 1.00 0.00 H new ATOM 1295 N LEU C 46 95.224 9.868 -29.956 1.00 0.00 N ATOM 1296 CA LEU C 46 95.863 9.964 -31.265 1.00 0.00 C ATOM 1297 C LEU C 46 95.311 8.918 -32.235 1.00 0.00 C ATOM 1298 O LEU C 46 95.128 9.207 -33.416 1.00 0.00 O ATOM 1299 CB LEU C 46 97.396 9.831 -31.127 1.00 0.00 C ATOM 1300 CG LEU C 46 97.824 8.351 -30.918 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.184 7.691 -32.271 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.052 8.293 -29.985 1.00 0.00 C ATOM 0 H LEU C 46 95.867 9.857 -29.164 1.00 0.00 H new ATOM 0 HA LEU C 46 95.635 10.946 -31.679 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.878 10.227 -32.020 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.740 10.432 -30.286 1.00 0.00 H new ATOM 0 HG LEU C 46 96.990 7.811 -30.470 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.481 6.656 -32.103 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.317 7.717 -32.931 1.00 0.00 H new ATOM 0 HD13 LEU C 46 99.008 8.234 -32.733 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.350 7.255 -29.840 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.876 8.848 -30.433 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.798 8.735 -29.022 1.00 0.00 H new ATOM 1427 N ASP D 24 87.239 -1.473 7.435 1.00 0.00 N ATOM 1428 CA ASP D 24 87.688 -2.722 6.826 1.00 0.00 C ATOM 1429 C ASP D 24 88.649 -2.429 5.667 1.00 0.00 C ATOM 1430 O ASP D 24 88.546 -1.383 5.027 1.00 0.00 O ATOM 1431 CB ASP D 24 86.475 -3.504 6.308 1.00 0.00 C ATOM 1432 CG ASP D 24 85.741 -4.164 7.471 1.00 0.00 C ATOM 1433 OD1 ASP D 24 86.224 -5.175 7.955 1.00 0.00 O ATOM 1434 OD2 ASP D 24 84.705 -3.649 7.860 1.00 0.00 O ATOM 0 HA ASP D 24 88.211 -3.316 7.575 1.00 0.00 H new ATOM 0 HB2 ASP D 24 85.800 -2.833 5.776 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.799 -4.262 5.595 1.00 0.00 H new ATOM 1439 N PRO D 25 89.572 -3.321 5.381 1.00 0.00 N ATOM 1440 CA PRO D 25 90.551 -3.127 4.268 1.00 0.00 C ATOM 1441 C PRO D 25 89.885 -3.262 2.897 1.00 0.00 C ATOM 1442 O PRO D 25 90.551 -3.520 1.894 1.00 0.00 O ATOM 1443 CB PRO D 25 91.584 -4.240 4.501 1.00 0.00 C ATOM 1444 CG PRO D 25 90.824 -5.319 5.201 1.00 0.00 C ATOM 1445 CD PRO D 25 89.790 -4.606 6.076 1.00 0.00 C ATOM 0 HA PRO D 25 90.993 -2.130 4.268 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.002 -4.596 3.559 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.418 -3.886 5.106 1.00 0.00 H new ATOM 0 HG2 PRO D 25 90.339 -5.982 4.485 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.489 -5.935 5.806 1.00 0.00 H new ATOM 0 HD2 PRO D 25 88.867 -5.181 6.155 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.159 -4.455 7.090 1.00 0.00 H new ATOM 1453 N LEU D 26 88.593 -3.092 2.868 1.00 0.00 N ATOM 1454 CA LEU D 26 87.842 -3.200 1.621 1.00 0.00 C ATOM 1455 C LEU D 26 88.197 -2.049 0.680 1.00 0.00 C ATOM 1456 O LEU D 26 88.451 -2.260 -0.506 1.00 0.00 O ATOM 1457 CB LEU D 26 86.338 -3.188 1.925 1.00 0.00 C ATOM 1458 CG LEU D 26 85.520 -3.298 0.629 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.877 -4.592 -0.122 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.028 -3.309 0.988 1.00 0.00 C ATOM 0 H LEU D 26 88.025 -2.877 3.688 1.00 0.00 H new ATOM 0 HA LEU D 26 88.104 -4.137 1.131 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.090 -4.016 2.589 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.075 -2.269 2.450 1.00 0.00 H new ATOM 0 HG LEU D 26 85.747 -2.449 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.289 -4.655 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.938 -4.587 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.657 -5.452 0.510 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.435 -3.387 0.077 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.815 -4.161 1.633 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.772 -2.387 1.510 1.00 0.00 H new ATOM 1472 N VAL D 27 88.206 -0.855 1.208 1.00 0.00 N ATOM 1473 CA VAL D 27 88.526 0.327 0.413 1.00 0.00 C ATOM 1474 C VAL D 27 90.004 0.341 0.028 1.00 0.00 C ATOM 1475 O VAL D 27 90.363 0.739 -1.081 1.00 0.00 O ATOM 1476 CB VAL D 27 88.194 1.592 1.206 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.533 2.825 0.368 1.00 0.00 C ATOM 1478 CG2 VAL D 27 86.702 1.602 1.546 1.00 0.00 C ATOM 0 H VAL D 27 87.996 -0.662 2.187 1.00 0.00 H new ATOM 0 HA VAL D 27 87.929 0.297 -0.498 1.00 0.00 H new ATOM 0 HB VAL D 27 88.778 1.607 2.126 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.296 3.726 0.934 1.00 0.00 H new ATOM 0 HG12 VAL D 27 89.595 2.818 0.124 1.00 0.00 H new ATOM 0 HG13 VAL D 27 87.950 2.811 -0.553 1.00 0.00 H new ATOM 0 HG21 VAL D 27 86.464 2.503 2.111 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.119 1.586 0.625 1.00 0.00 H new ATOM 0 HG23 VAL D 27 86.459 0.724 2.144 1.00 0.00 H new ATOM 1488 N VAL D 28 90.836 -0.090 0.934 1.00 0.00 N ATOM 1489 CA VAL D 28 92.274 -0.128 0.685 1.00 0.00 C ATOM 1490 C VAL D 28 92.611 -1.206 -0.341 1.00 0.00 C ATOM 1491 O VAL D 28 93.419 -0.989 -1.244 1.00 0.00 O ATOM 1492 CB VAL D 28 93.024 -0.407 1.988 1.00 0.00 C ATOM 1493 CG1 VAL D 28 94.523 -0.505 1.703 1.00 0.00 C ATOM 1494 CG2 VAL D 28 92.767 0.732 2.978 1.00 0.00 C ATOM 0 H VAL D 28 90.556 -0.423 1.857 1.00 0.00 H new ATOM 0 HA VAL D 28 92.581 0.841 0.292 1.00 0.00 H new ATOM 0 HB VAL D 28 92.673 -1.347 2.415 1.00 0.00 H new ATOM 0 HG11 VAL D 28 95.058 -0.704 2.632 1.00 0.00 H new ATOM 0 HG12 VAL D 28 94.707 -1.315 0.998 1.00 0.00 H new ATOM 0 HG13 VAL D 28 94.874 0.434 1.276 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.301 0.534 3.907 1.00 0.00 H new ATOM 0 HG22 VAL D 28 93.118 1.671 2.551 1.00 0.00 H new ATOM 0 HG23 VAL D 28 91.699 0.803 3.182 1.00 0.00 H new ATOM 1504 N ALA D 29 92.002 -2.350 -0.188 1.00 0.00 N ATOM 1505 CA ALA D 29 92.247 -3.464 -1.099 1.00 0.00 C ATOM 1506 C ALA D 29 92.132 -3.007 -2.552 1.00 0.00 C ATOM 1507 O ALA D 29 92.819 -3.528 -3.431 1.00 0.00 O ATOM 1508 CB ALA D 29 91.240 -4.584 -0.834 1.00 0.00 C ATOM 0 H ALA D 29 91.331 -2.547 0.554 1.00 0.00 H new ATOM 0 HA ALA D 29 93.258 -3.834 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.429 -5.412 -1.517 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.344 -4.931 0.194 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.229 -4.208 -0.990 1.00 0.00 H new ATOM 1514 N ALA D 30 91.276 -2.053 -2.791 1.00 0.00 N ATOM 1515 CA ALA D 30 91.076 -1.532 -4.140 1.00 0.00 C ATOM 1516 C ALA D 30 92.324 -0.803 -4.635 1.00 0.00 C ATOM 1517 O ALA D 30 92.592 -0.758 -5.836 1.00 0.00 O ATOM 1518 CB ALA D 30 89.885 -0.571 -4.153 1.00 0.00 C ATOM 0 H ALA D 30 90.698 -1.611 -2.076 1.00 0.00 H new ATOM 0 HA ALA D 30 90.879 -2.373 -4.805 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.740 -0.185 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.987 -1.100 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.079 0.258 -3.472 1.00 0.00 H new ATOM 1524 N SER D 31 93.060 -0.235 -3.721 1.00 0.00 N ATOM 1525 CA SER D 31 94.272 0.501 -4.072 1.00 0.00 C ATOM 1526 C SER D 31 95.239 -0.379 -4.862 1.00 0.00 C ATOM 1527 O SER D 31 95.844 0.068 -5.836 1.00 0.00 O ATOM 1528 CB SER D 31 94.962 1.007 -2.806 1.00 0.00 C ATOM 1529 OG SER D 31 96.113 1.759 -3.167 1.00 0.00 O ATOM 0 H SER D 31 92.853 -0.260 -2.723 1.00 0.00 H new ATOM 0 HA SER D 31 93.984 1.347 -4.696 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.276 1.625 -2.227 1.00 0.00 H new ATOM 0 HB3 SER D 31 95.246 0.167 -2.172 1.00 0.00 H new ATOM 0 HG SER D 31 96.557 2.086 -2.357 1.00 0.00 H new ATOM 1535 N ILE D 32 95.382 -1.605 -4.441 1.00 0.00 N ATOM 1536 CA ILE D 32 96.284 -2.537 -5.114 1.00 0.00 C ATOM 1537 C ILE D 32 95.934 -2.641 -6.599 1.00 0.00 C ATOM 1538 O ILE D 32 96.815 -2.785 -7.447 1.00 0.00 O ATOM 1539 CB ILE D 32 96.193 -3.922 -4.455 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.835 -3.874 -3.061 1.00 0.00 C ATOM 1541 CG2 ILE D 32 96.937 -4.957 -5.308 1.00 0.00 C ATOM 1542 CD1 ILE D 32 96.009 -2.989 -2.118 1.00 0.00 C ATOM 0 H ILE D 32 94.892 -1.995 -3.636 1.00 0.00 H new ATOM 0 HA ILE D 32 97.304 -2.163 -5.022 1.00 0.00 H new ATOM 0 HB ILE D 32 95.143 -4.203 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE D 32 96.907 -4.882 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE D 32 97.851 -3.487 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE D 32 96.868 -5.936 -4.834 1.00 0.00 H new ATOM 0 HG22 ILE D 32 96.488 -5.001 -6.300 1.00 0.00 H new ATOM 0 HG23 ILE D 32 97.985 -4.670 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE D 32 96.479 -2.967 -1.135 1.00 0.00 H new ATOM 0 HD12 ILE D 32 95.959 -1.977 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE D 32 95.001 -3.394 -2.029 1.00 0.00 H new ATOM 1554 N ILE D 33 94.669 -2.570 -6.900 1.00 0.00 N ATOM 1555 CA ILE D 33 94.217 -2.655 -8.284 1.00 0.00 C ATOM 1556 C ILE D 33 94.596 -1.385 -9.048 1.00 0.00 C ATOM 1557 O ILE D 33 94.856 -1.427 -10.251 1.00 0.00 O ATOM 1558 CB ILE D 33 92.694 -2.880 -8.335 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.333 -4.130 -7.501 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.249 -3.084 -9.796 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.923 -4.626 -7.850 1.00 0.00 C ATOM 0 H ILE D 33 93.922 -2.453 -6.215 1.00 0.00 H new ATOM 0 HA ILE D 33 94.709 -3.503 -8.760 1.00 0.00 H new ATOM 0 HB ILE D 33 92.183 -2.009 -7.924 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.059 -4.921 -7.689 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.388 -3.893 -6.439 1.00 0.00 H new ATOM 0 HG21 ILE D 33 91.171 -3.243 -9.829 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.504 -2.200 -10.381 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.757 -3.954 -10.213 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.689 -5.507 -7.252 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.198 -3.840 -7.638 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.880 -4.884 -8.908 1.00 0.00 H new ATOM 1573 N GLY D 34 94.608 -0.275 -8.361 1.00 0.00 N ATOM 1574 CA GLY D 34 94.936 1.003 -8.988 1.00 0.00 C ATOM 1575 C GLY D 34 96.354 1.018 -9.556 1.00 0.00 C ATOM 1576 O GLY D 34 96.576 1.491 -10.670 1.00 0.00 O ATOM 0 H GLY D 34 94.396 -0.216 -7.365 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.224 1.207 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.831 1.803 -8.255 1.00 0.00 H new ATOM 1580 N ILE D 35 97.292 0.516 -8.802 1.00 0.00 N ATOM 1581 CA ILE D 35 98.681 0.488 -9.252 1.00 0.00 C ATOM 1582 C ILE D 35 98.856 -0.487 -10.415 1.00 0.00 C ATOM 1583 O ILE D 35 99.732 -0.306 -11.261 1.00 0.00 O ATOM 1584 CB ILE D 35 99.604 0.093 -8.096 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.090 -1.192 -7.444 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.624 1.214 -7.056 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.161 -1.750 -6.507 1.00 0.00 C ATOM 0 H ILE D 35 97.135 0.119 -7.876 1.00 0.00 H new ATOM 0 HA ILE D 35 98.947 1.487 -9.596 1.00 0.00 H new ATOM 0 HB ILE D 35 100.611 -0.071 -8.478 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.175 -0.990 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.842 -1.927 -8.210 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.281 0.934 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE D 35 99.990 2.131 -7.517 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.615 1.376 -6.677 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.796 -2.666 -6.042 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.065 -1.967 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.387 -1.015 -5.734 1.00 0.00 H new ATOM 1599 N LEU D 36 98.040 -1.506 -10.443 1.00 0.00 N ATOM 1600 CA LEU D 36 98.120 -2.506 -11.505 1.00 0.00 C ATOM 1601 C LEU D 36 97.962 -1.859 -12.881 1.00 0.00 C ATOM 1602 O LEU D 36 98.674 -2.202 -13.820 1.00 0.00 O ATOM 1603 CB LEU D 36 97.028 -3.568 -11.308 1.00 0.00 C ATOM 1604 CG LEU D 36 97.364 -4.838 -12.122 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.263 -5.774 -11.301 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.072 -5.583 -12.480 1.00 0.00 C ATOM 0 H LEU D 36 97.310 -1.677 -9.751 1.00 0.00 H new ATOM 0 HA LEU D 36 99.102 -2.976 -11.454 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.940 -3.818 -10.251 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.063 -3.170 -11.623 1.00 0.00 H new ATOM 0 HG LEU D 36 97.885 -4.538 -13.031 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.492 -6.665 -11.886 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.189 -5.259 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.747 -6.064 -10.386 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.315 -6.477 -13.054 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.551 -5.868 -11.566 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.430 -4.933 -13.075 1.00 0.00 H new ATOM 1618 N HIS D 37 97.033 -0.956 -13.000 1.00 0.00 N ATOM 1619 CA HIS D 37 96.795 -0.292 -14.279 1.00 0.00 C ATOM 1620 C HIS D 37 98.041 0.471 -14.746 1.00 0.00 C ATOM 1621 O HIS D 37 98.301 0.563 -15.945 1.00 0.00 O ATOM 1622 CB HIS D 37 95.601 0.680 -14.145 1.00 0.00 C ATOM 1623 CG HIS D 37 94.311 -0.024 -14.484 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.227 0.648 -15.025 1.00 0.00 N ATOM 1625 CD2 HIS D 37 93.924 -1.336 -14.376 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.248 -0.252 -15.222 1.00 0.00 C ATOM 1627 NE2 HIS D 37 92.620 -1.479 -14.843 1.00 0.00 N ATOM 0 H HIS D 37 96.423 -0.653 -12.241 1.00 0.00 H new ATOM 0 HA HIS D 37 96.565 -1.053 -15.025 1.00 0.00 H new ATOM 0 HB2 HIS D 37 95.554 1.070 -13.128 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.742 1.534 -14.808 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.537 -2.136 -13.988 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.279 -0.013 -15.636 1.00 0.00 H new ATOM 0 HE2 HIS D 37 92.068 -2.335 -14.887 1.00 0.00 H new ATOM 1636 N PHE D 38 98.775 1.029 -13.823 1.00 0.00 N ATOM 1637 CA PHE D 38 99.966 1.805 -14.167 1.00 0.00 C ATOM 1638 C PHE D 38 101.033 0.964 -14.868 1.00 0.00 C ATOM 1639 O PHE D 38 101.572 1.377 -15.893 1.00 0.00 O ATOM 1640 CB PHE D 38 100.561 2.424 -12.901 1.00 0.00 C ATOM 1641 CG PHE D 38 101.786 3.229 -13.260 1.00 0.00 C ATOM 1642 CD1 PHE D 38 101.654 4.561 -13.671 1.00 0.00 C ATOM 1643 CD2 PHE D 38 103.056 2.644 -13.180 1.00 0.00 C ATOM 1644 CE1 PHE D 38 102.792 5.308 -14.000 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.193 3.391 -13.509 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.061 4.723 -13.920 1.00 0.00 C ATOM 0 H PHE D 38 98.581 0.969 -12.823 1.00 0.00 H new ATOM 0 HA PHE D 38 99.652 2.583 -14.863 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.823 3.062 -12.415 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.823 1.641 -12.190 1.00 0.00 H new ATOM 0 HD1 PHE D 38 100.675 5.012 -13.734 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.158 1.616 -12.864 1.00 0.00 H new ATOM 0 HE1 PHE D 38 102.690 6.336 -14.316 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.172 2.940 -13.446 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.938 5.299 -14.175 1.00 0.00 H new ATOM 1656 N ILE D 39 101.348 -0.181 -14.323 1.00 0.00 N ATOM 1657 CA ILE D 39 102.376 -1.023 -14.929 1.00 0.00 C ATOM 1658 C ILE D 39 101.973 -1.449 -16.339 1.00 0.00 C ATOM 1659 O ILE D 39 102.799 -1.448 -17.251 1.00 0.00 O ATOM 1660 CB ILE D 39 102.656 -2.257 -14.062 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.341 -2.912 -13.638 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.434 -1.841 -12.812 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.637 -4.248 -12.951 1.00 0.00 C ATOM 0 H ILE D 39 100.923 -0.558 -13.476 1.00 0.00 H new ATOM 0 HA ILE D 39 103.290 -0.433 -14.995 1.00 0.00 H new ATOM 0 HB ILE D 39 103.243 -2.969 -14.643 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.796 -2.255 -12.960 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.704 -3.071 -14.508 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.632 -2.719 -12.197 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.379 -1.384 -13.107 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.846 -1.123 -12.240 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.701 -4.717 -12.648 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.164 -4.904 -13.644 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.258 -4.075 -12.072 1.00 0.00 H new ATOM 1675 N ALA D 40 100.730 -1.810 -16.517 1.00 0.00 N ATOM 1676 CA ALA D 40 100.254 -2.235 -17.828 1.00 0.00 C ATOM 1677 C ALA D 40 100.191 -1.052 -18.794 1.00 0.00 C ATOM 1678 O ALA D 40 100.526 -1.182 -19.970 1.00 0.00 O ATOM 1679 CB ALA D 40 98.867 -2.864 -17.693 1.00 0.00 C ATOM 0 H ALA D 40 100.024 -1.822 -15.781 1.00 0.00 H new ATOM 0 HA ALA D 40 100.953 -2.970 -18.227 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.514 -3.181 -18.674 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.922 -3.728 -17.031 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.175 -2.132 -17.277 1.00 0.00 H new ATOM 1685 N TRP D 41 99.753 0.074 -18.302 1.00 0.00 N ATOM 1686 CA TRP D 41 99.633 1.269 -19.135 1.00 0.00 C ATOM 1687 C TRP D 41 100.912 1.499 -19.930 1.00 0.00 C ATOM 1688 O TRP D 41 100.881 2.040 -21.036 1.00 0.00 O ATOM 1689 CB TRP D 41 99.357 2.490 -18.252 1.00 0.00 C ATOM 1690 CG TRP D 41 98.949 3.651 -19.103 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.773 4.343 -19.925 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.637 4.275 -19.222 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.048 5.341 -20.550 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.728 5.341 -20.149 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.388 4.022 -18.627 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.622 6.127 -20.471 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.273 4.813 -18.948 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.391 5.862 -19.869 1.00 0.00 C ATOM 0 H TRP D 41 99.470 0.203 -17.331 1.00 0.00 H new ATOM 0 HA TRP D 41 98.807 1.124 -19.831 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.570 2.260 -17.534 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.248 2.744 -17.678 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.825 4.147 -20.069 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.441 5.997 -21.225 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.286 3.214 -17.918 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.717 6.935 -21.181 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.320 4.612 -18.482 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.529 6.466 -20.113 1.00 0.00 H new ATOM 1709 N THR D 42 102.014 1.082 -19.379 1.00 0.00 N ATOM 1710 CA THR D 42 103.298 1.246 -20.051 1.00 0.00 C ATOM 1711 C THR D 42 103.348 0.424 -21.339 1.00 0.00 C ATOM 1712 O THR D 42 104.018 0.809 -22.299 1.00 0.00 O ATOM 1713 CB THR D 42 104.436 0.822 -19.123 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.316 -0.562 -18.828 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.365 1.633 -17.828 1.00 0.00 C ATOM 0 H THR D 42 102.064 0.625 -18.468 1.00 0.00 H new ATOM 0 HA THR D 42 103.415 2.299 -20.307 1.00 0.00 H new ATOM 0 HB THR D 42 105.393 1.004 -19.612 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.786 -0.678 -18.012 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.176 1.332 -17.165 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.459 2.694 -18.058 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.409 1.452 -17.337 1.00 0.00 H new ATOM 1723 N ILE D 43 102.655 -0.686 -21.359 1.00 0.00 N ATOM 1724 CA ILE D 43 102.647 -1.534 -22.549 1.00 0.00 C ATOM 1725 C ILE D 43 101.880 -0.852 -23.684 1.00 0.00 C ATOM 1726 O ILE D 43 102.386 -0.733 -24.797 1.00 0.00 O ATOM 1727 CB ILE D 43 102.008 -2.898 -22.209 1.00 0.00 C ATOM 1728 CG1 ILE D 43 103.011 -3.748 -21.419 1.00 0.00 C ATOM 1729 CG2 ILE D 43 101.621 -3.649 -23.491 1.00 0.00 C ATOM 1730 CD1 ILE D 43 103.479 -2.985 -20.177 1.00 0.00 C ATOM 0 H ILE D 43 102.092 -1.030 -20.581 1.00 0.00 H new ATOM 0 HA ILE D 43 103.673 -1.695 -22.879 1.00 0.00 H new ATOM 0 HB ILE D 43 101.111 -2.722 -21.615 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.549 -4.690 -21.125 1.00 0.00 H new ATOM 0 HG13 ILE D 43 103.866 -3.995 -22.048 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.173 -4.608 -23.230 1.00 0.00 H new ATOM 0 HG22 ILE D 43 100.904 -3.055 -24.058 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.511 -3.818 -24.097 1.00 0.00 H new ATOM 0 HD11 ILE D 43 104.191 -3.596 -19.622 1.00 0.00 H new ATOM 0 HD12 ILE D 43 103.958 -2.054 -20.481 1.00 0.00 H new ATOM 0 HD13 ILE D 43 102.621 -2.761 -19.543 1.00 0.00 H new ATOM 1742 N GLY D 44 100.681 -0.419 -23.404 1.00 0.00 N ATOM 1743 CA GLY D 44 99.862 0.237 -24.419 1.00 0.00 C ATOM 1744 C GLY D 44 100.627 1.363 -25.105 1.00 0.00 C ATOM 1745 O GLY D 44 100.404 1.650 -26.282 1.00 0.00 O ATOM 0 H GLY D 44 100.240 -0.502 -22.488 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.544 -0.495 -25.162 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.959 0.636 -23.958 1.00 0.00 H new ATOM 1749 N HIS D 45 101.503 1.992 -24.376 1.00 0.00 N ATOM 1750 CA HIS D 45 102.294 3.094 -24.910 1.00 0.00 C ATOM 1751 C HIS D 45 103.148 2.641 -26.094 1.00 0.00 C ATOM 1752 O HIS D 45 103.498 3.445 -26.956 1.00 0.00 O ATOM 1753 CB HIS D 45 103.191 3.662 -23.807 1.00 0.00 C ATOM 1754 CG HIS D 45 103.682 5.036 -24.188 1.00 0.00 C ATOM 1755 ND1 HIS D 45 104.998 5.427 -23.998 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.044 6.121 -24.739 1.00 0.00 C ATOM 1757 CE1 HIS D 45 105.108 6.699 -24.425 1.00 0.00 C ATOM 1758 NE2 HIS D 45 103.948 7.170 -24.886 1.00 0.00 N ATOM 0 H HIS D 45 101.698 1.768 -23.400 1.00 0.00 H new ATOM 0 HA HIS D 45 101.611 3.867 -25.264 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.638 3.713 -22.869 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.039 2.998 -23.641 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.001 6.155 -25.016 1.00 0.00 H new ATOM 0 HE1 HIS D 45 106.025 7.269 -24.398 1.00 0.00 H new ATOM 0 HE2 HIS D 45 103.763 8.099 -25.265 1.00 0.00 H new ATOM 1767 N LEU D 46 103.512 1.387 -26.107 1.00 0.00 N ATOM 1768 CA LEU D 46 104.371 0.864 -27.167 1.00 0.00 C ATOM 1769 C LEU D 46 103.890 1.313 -28.553 1.00 0.00 C ATOM 1770 O LEU D 46 104.697 1.471 -29.469 1.00 0.00 O ATOM 1771 CB LEU D 46 104.442 -0.684 -27.073 1.00 0.00 C ATOM 1772 CG LEU D 46 103.293 -1.365 -27.870 1.00 0.00 C ATOM 1773 CD1 LEU D 46 103.733 -1.641 -29.329 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.907 -2.698 -27.196 1.00 0.00 C ATOM 0 H LEU D 46 103.235 0.701 -25.405 1.00 0.00 H new ATOM 0 HA LEU D 46 105.373 1.270 -27.030 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.403 -1.028 -27.456 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.388 -0.987 -26.027 1.00 0.00 H new ATOM 0 HG LEU D 46 102.434 -0.693 -27.878 1.00 0.00 H new ATOM 0 HD11 LEU D 46 102.916 -2.118 -29.871 1.00 0.00 H new ATOM 0 HD12 LEU D 46 103.991 -0.700 -29.815 1.00 0.00 H new ATOM 0 HD13 LEU D 46 104.602 -2.300 -29.329 1.00 0.00 H new ATOM 0 HD21 LEU D 46 102.102 -3.170 -27.759 1.00 0.00 H new ATOM 0 HD22 LEU D 46 103.773 -3.360 -27.176 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.573 -2.507 -26.176 1.00 0.00 H new