USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=10 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 :FLIP no HD1:sc= -1.54 F(o=-8.6!,f=-5.6) USER MOD Set 1.2: B 48 GLN : amide:sc= -4.08! K(o=-5.6!,f=-6.7) USER MOD Set 2.1: A 37 HIS : no HD1:sc= -19.3! C(o=-31!,f=-40!) USER MOD Set 2.2: D 37 HIS : no HE2:sc= -11.6! C(o=-31!,f=-36!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -90:sc= 0.928 USER MOD Single : A 45 HIS : no HD1:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-0.73) USER MOD Single : B 42 THR OG1 : rot -77:sc= -0.56! USER MOD Single : B 47 ASN : amide:sc= -4.74! C(o=-4.7!,f=-7.9!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.68! C(o=-8.7!,f=-13!) USER MOD Single : C 42 THR OG1 : rot -105:sc= 0.199 USER MOD Single : C 45 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.15) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot 92:sc= 0.0342 USER MOD Single : D 45 HIS : no HD1:sc= -0.306 X(o=-0.31,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 77.617 2.663 1.713 1.00 0.00 N ATOM 24 CA PRO A 25 78.111 1.814 0.590 1.00 0.00 C ATOM 25 C PRO A 25 78.449 2.641 -0.652 1.00 0.00 C ATOM 26 O PRO A 25 78.691 2.094 -1.728 1.00 0.00 O ATOM 27 CB PRO A 25 76.929 0.876 0.326 1.00 0.00 C ATOM 28 CG PRO A 25 75.723 1.687 0.676 1.00 0.00 C ATOM 29 CD PRO A 25 76.147 2.609 1.828 1.00 0.00 C ATOM 0 HA PRO A 25 79.037 1.292 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.902 0.554 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.993 -0.025 0.937 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.382 2.267 -0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 25 74.895 1.044 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 25 75.702 3.599 1.732 1.00 0.00 H new ATOM 0 HD3 PRO A 25 75.836 2.211 2.794 1.00 0.00 H new ATOM 37 N LEU A 26 78.459 3.938 -0.495 1.00 0.00 N ATOM 38 CA LEU A 26 78.764 4.832 -1.609 1.00 0.00 C ATOM 39 C LEU A 26 80.217 4.664 -2.052 1.00 0.00 C ATOM 40 O LEU A 26 80.509 4.608 -3.247 1.00 0.00 O ATOM 41 CB LEU A 26 78.514 6.287 -1.190 1.00 0.00 C ATOM 42 CG LEU A 26 78.746 7.241 -2.376 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.722 6.964 -3.491 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.597 8.690 -1.889 1.00 0.00 C ATOM 0 H LEU A 26 78.261 4.410 0.387 1.00 0.00 H new ATOM 0 HA LEU A 26 78.114 4.578 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.493 6.395 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.178 6.553 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 26 79.748 7.083 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.897 7.645 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.828 5.935 -3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.714 7.115 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 26 78.760 9.373 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 26 77.594 8.838 -1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.332 8.889 -1.109 1.00 0.00 H new ATOM 56 N VAL A 27 81.106 4.599 -1.100 1.00 0.00 N ATOM 57 CA VAL A 27 82.527 4.453 -1.397 1.00 0.00 C ATOM 58 C VAL A 27 82.838 3.065 -1.954 1.00 0.00 C ATOM 59 O VAL A 27 83.707 2.912 -2.812 1.00 0.00 O ATOM 60 CB VAL A 27 83.349 4.692 -0.129 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.009 3.625 0.913 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.840 4.617 -0.467 1.00 0.00 C ATOM 0 H VAL A 27 80.883 4.644 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 27 82.791 5.192 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 27 83.115 5.678 0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 27 83.596 3.797 1.815 1.00 0.00 H new ATOM 0 HG12 VAL A 27 81.948 3.678 1.155 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.241 2.638 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.427 4.787 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.072 3.631 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.084 5.379 -1.207 1.00 0.00 H new ATOM 72 N VAL A 28 82.141 2.076 -1.469 1.00 0.00 N ATOM 73 CA VAL A 28 82.357 0.705 -1.924 1.00 0.00 C ATOM 74 C VAL A 28 81.876 0.530 -3.363 1.00 0.00 C ATOM 75 O VAL A 28 82.547 -0.098 -4.183 1.00 0.00 O ATOM 76 CB VAL A 28 81.611 -0.270 -1.012 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.828 -1.702 -1.506 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.139 -0.135 0.420 1.00 0.00 C ATOM 0 H VAL A 28 81.416 2.179 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 28 83.426 0.495 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 28 80.546 -0.040 -1.029 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.296 -2.396 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.450 -1.797 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 28 82.893 -1.935 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.608 -0.830 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.205 -0.364 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 28 81.981 0.885 0.772 1.00 0.00 H new ATOM 88 N ALA A 29 80.724 1.069 -3.650 1.00 0.00 N ATOM 89 CA ALA A 29 80.146 0.962 -4.986 1.00 0.00 C ATOM 90 C ALA A 29 81.162 1.352 -6.058 1.00 0.00 C ATOM 91 O ALA A 29 81.219 0.735 -7.123 1.00 0.00 O ATOM 92 CB ALA A 29 78.918 1.868 -5.093 1.00 0.00 C ATOM 0 H ALA A 29 80.155 1.591 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 29 79.855 -0.076 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.490 1.785 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.176 1.564 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.211 2.902 -4.909 1.00 0.00 H new ATOM 98 N ALA A 30 81.941 2.360 -5.784 1.00 0.00 N ATOM 99 CA ALA A 30 82.943 2.824 -6.741 1.00 0.00 C ATOM 100 C ALA A 30 83.983 1.740 -7.020 1.00 0.00 C ATOM 101 O ALA A 30 84.492 1.629 -8.135 1.00 0.00 O ATOM 102 CB ALA A 30 83.639 4.076 -6.203 1.00 0.00 C ATOM 0 H ALA A 30 81.913 2.885 -4.910 1.00 0.00 H new ATOM 0 HA ALA A 30 82.433 3.061 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.384 4.415 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA A 30 82.902 4.863 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.128 3.843 -5.257 1.00 0.00 H new ATOM 108 N SER A 31 84.293 0.962 -6.021 1.00 0.00 N ATOM 109 CA SER A 31 85.279 -0.103 -6.172 1.00 0.00 C ATOM 110 C SER A 31 84.843 -1.097 -7.245 1.00 0.00 C ATOM 111 O SER A 31 85.657 -1.551 -8.050 1.00 0.00 O ATOM 112 CB SER A 31 85.466 -0.834 -4.842 1.00 0.00 C ATOM 113 OG SER A 31 86.487 -1.813 -4.986 1.00 0.00 O ATOM 0 H SER A 31 83.885 1.035 -5.089 1.00 0.00 H new ATOM 0 HA SER A 31 86.224 0.347 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.733 -0.125 -4.058 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.532 -1.307 -4.539 1.00 0.00 H new ATOM 0 HG SER A 31 86.612 -2.283 -4.135 1.00 0.00 H new ATOM 119 N ILE A 32 83.582 -1.429 -7.247 1.00 0.00 N ATOM 120 CA ILE A 32 83.047 -2.378 -8.221 1.00 0.00 C ATOM 121 C ILE A 32 83.410 -1.967 -9.649 1.00 0.00 C ATOM 122 O ILE A 32 83.594 -2.817 -10.519 1.00 0.00 O ATOM 123 CB ILE A 32 81.525 -2.456 -8.090 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.138 -2.606 -6.612 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.002 -3.657 -8.880 1.00 0.00 C ATOM 126 CD1 ILE A 32 81.915 -3.762 -5.974 1.00 0.00 C ATOM 0 H ILE A 32 82.893 -1.063 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 32 83.488 -3.354 -8.017 1.00 0.00 H new ATOM 0 HB ILE A 32 81.084 -1.541 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.348 -1.679 -6.078 1.00 0.00 H new ATOM 0 HG13 ILE A 32 80.067 -2.788 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.917 -3.711 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.269 -3.546 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.446 -4.572 -8.488 1.00 0.00 H new ATOM 0 HD11 ILE A 32 81.631 -3.857 -4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 32 81.683 -4.689 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 32 82.985 -3.564 -6.043 1.00 0.00 H new ATOM 138 N ILE A 33 83.502 -0.686 -9.878 1.00 0.00 N ATOM 139 CA ILE A 33 83.833 -0.176 -11.208 1.00 0.00 C ATOM 140 C ILE A 33 85.293 -0.479 -11.556 1.00 0.00 C ATOM 141 O ILE A 33 85.638 -0.638 -12.727 1.00 0.00 O ATOM 142 CB ILE A 33 83.570 1.344 -11.275 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.095 1.620 -10.887 1.00 0.00 C ATOM 144 CG2 ILE A 33 83.845 1.864 -12.702 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.659 3.016 -11.356 1.00 0.00 C ATOM 0 H ILE A 33 83.355 0.034 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 33 83.197 -0.676 -11.938 1.00 0.00 H new ATOM 0 HB ILE A 33 84.233 1.860 -10.581 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.449 0.864 -11.333 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.978 1.542 -9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.657 2.937 -12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.884 1.668 -12.967 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.188 1.355 -13.408 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.621 3.187 -11.073 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.292 3.771 -10.889 1.00 0.00 H new ATOM 0 HD13 ILE A 33 81.755 3.082 -12.440 1.00 0.00 H new ATOM 157 N GLY A 34 86.132 -0.543 -10.560 1.00 0.00 N ATOM 158 CA GLY A 34 87.551 -0.808 -10.784 1.00 0.00 C ATOM 159 C GLY A 34 87.795 -2.200 -11.367 1.00 0.00 C ATOM 160 O GLY A 34 88.583 -2.359 -12.297 1.00 0.00 O ATOM 0 H GLY A 34 85.872 -0.417 -9.582 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.956 -0.056 -11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.090 -0.711 -9.841 1.00 0.00 H new ATOM 164 N ILE A 35 87.146 -3.185 -10.824 1.00 0.00 N ATOM 165 CA ILE A 35 87.323 -4.555 -11.299 1.00 0.00 C ATOM 166 C ILE A 35 86.781 -4.722 -12.720 1.00 0.00 C ATOM 167 O ILE A 35 87.252 -5.571 -13.475 1.00 0.00 O ATOM 168 CB ILE A 35 86.621 -5.539 -10.356 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.142 -5.350 -8.919 1.00 0.00 C ATOM 170 CG2 ILE A 35 86.923 -6.971 -10.807 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.589 -4.061 -8.288 1.00 0.00 C ATOM 0 H ILE A 35 86.487 -3.083 -10.052 1.00 0.00 H new ATOM 0 HA ILE A 35 88.392 -4.769 -11.312 1.00 0.00 H new ATOM 0 HB ILE A 35 85.547 -5.355 -10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 35 86.855 -6.207 -8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 35 88.231 -5.315 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.426 -7.675 -10.140 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.559 -7.117 -11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.999 -7.142 -10.779 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.976 -3.957 -7.274 1.00 0.00 H new ATOM 0 HD12 ILE A 35 86.898 -3.202 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 35 85.500 -4.109 -8.258 1.00 0.00 H new ATOM 183 N LEU A 36 85.793 -3.943 -13.064 1.00 0.00 N ATOM 184 CA LEU A 36 85.184 -4.038 -14.391 1.00 0.00 C ATOM 185 C LEU A 36 86.181 -3.699 -15.503 1.00 0.00 C ATOM 186 O LEU A 36 86.261 -4.411 -16.503 1.00 0.00 O ATOM 187 CB LEU A 36 83.976 -3.096 -14.472 1.00 0.00 C ATOM 188 CG LEU A 36 83.218 -3.297 -15.797 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.569 -4.693 -15.841 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.132 -2.222 -15.912 1.00 0.00 C ATOM 0 H LEU A 36 85.383 -3.233 -12.457 1.00 0.00 H new ATOM 0 HA LEU A 36 84.864 -5.069 -14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.306 -3.282 -13.632 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.309 -2.061 -14.391 1.00 0.00 H new ATOM 0 HG LEU A 36 83.918 -3.215 -16.628 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.038 -4.818 -16.784 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.342 -5.457 -15.756 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.867 -4.794 -15.013 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.587 -2.353 -16.847 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.441 -2.312 -15.074 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.594 -1.235 -15.897 1.00 0.00 H new ATOM 202 N HIS A 37 86.908 -2.629 -15.356 1.00 0.00 N ATOM 203 CA HIS A 37 87.859 -2.239 -16.393 1.00 0.00 C ATOM 204 C HIS A 37 88.893 -3.337 -16.644 1.00 0.00 C ATOM 205 O HIS A 37 89.432 -3.444 -17.746 1.00 0.00 O ATOM 206 CB HIS A 37 88.556 -0.923 -16.029 1.00 0.00 C ATOM 207 CG HIS A 37 89.410 -1.097 -14.805 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.300 -2.149 -14.658 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.524 -0.349 -13.660 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.902 -2.009 -13.463 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.464 -0.927 -12.814 1.00 0.00 N ATOM 0 H HIS A 37 86.873 -2.010 -14.546 1.00 0.00 H new ATOM 0 HA HIS A 37 87.295 -2.090 -17.314 1.00 0.00 H new ATOM 0 HB2 HIS A 37 89.172 -0.588 -16.864 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.811 -0.148 -15.852 1.00 0.00 H new ATOM 0 HD2 HIS A 37 88.968 0.552 -13.448 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.648 -2.688 -13.076 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.756 -0.596 -11.895 1.00 0.00 H new ATOM 220 N PHE A 38 89.179 -4.122 -15.642 1.00 0.00 N ATOM 221 CA PHE A 38 90.173 -5.186 -15.774 1.00 0.00 C ATOM 222 C PHE A 38 89.843 -6.157 -16.911 1.00 0.00 C ATOM 223 O PHE A 38 90.718 -6.483 -17.714 1.00 0.00 O ATOM 224 CB PHE A 38 90.275 -5.963 -14.458 1.00 0.00 C ATOM 225 CG PHE A 38 91.273 -7.087 -14.604 1.00 0.00 C ATOM 226 CD1 PHE A 38 90.888 -8.292 -15.203 1.00 0.00 C ATOM 227 CD2 PHE A 38 92.583 -6.927 -14.136 1.00 0.00 C ATOM 228 CE1 PHE A 38 91.811 -9.336 -15.336 1.00 0.00 C ATOM 229 CE2 PHE A 38 93.507 -7.970 -14.271 1.00 0.00 C ATOM 230 CZ PHE A 38 93.121 -9.175 -14.870 1.00 0.00 C ATOM 0 H PHE A 38 88.746 -4.056 -14.721 1.00 0.00 H new ATOM 0 HA PHE A 38 91.125 -4.711 -16.012 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.581 -5.295 -13.653 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.299 -6.364 -14.185 1.00 0.00 H new ATOM 0 HD1 PHE A 38 89.877 -8.417 -15.563 1.00 0.00 H new ATOM 0 HD2 PHE A 38 92.881 -5.999 -13.671 1.00 0.00 H new ATOM 0 HE1 PHE A 38 91.512 -10.265 -15.798 1.00 0.00 H new ATOM 0 HE2 PHE A 38 94.518 -7.845 -13.913 1.00 0.00 H new ATOM 0 HZ PHE A 38 93.834 -9.980 -14.972 1.00 0.00 H new ATOM 240 N ILE A 39 88.627 -6.635 -16.971 1.00 0.00 N ATOM 241 CA ILE A 39 88.275 -7.592 -18.020 1.00 0.00 C ATOM 242 C ILE A 39 88.492 -6.991 -19.413 1.00 0.00 C ATOM 243 O ILE A 39 88.992 -7.671 -20.309 1.00 0.00 O ATOM 244 CB ILE A 39 86.825 -8.090 -17.855 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.419 -8.896 -19.099 1.00 0.00 C ATOM 246 CG2 ILE A 39 85.859 -6.909 -17.653 1.00 0.00 C ATOM 247 CD1 ILE A 39 85.147 -9.694 -18.801 1.00 0.00 C ATOM 0 H ILE A 39 87.872 -6.393 -16.329 1.00 0.00 H new ATOM 0 HA ILE A 39 88.938 -8.451 -17.919 1.00 0.00 H new ATOM 0 HB ILE A 39 86.770 -8.726 -16.972 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.250 -8.224 -19.941 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.225 -9.571 -19.386 1.00 0.00 H new ATOM 0 HG21 ILE A 39 84.843 -7.286 -17.539 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.143 -6.355 -16.758 1.00 0.00 H new ATOM 0 HG23 ILE A 39 85.906 -6.248 -18.519 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.860 -10.265 -19.684 1.00 0.00 H new ATOM 0 HD12 ILE A 39 85.332 -10.377 -17.972 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.342 -9.009 -18.535 1.00 0.00 H new ATOM 259 N ALA A 40 88.133 -5.749 -19.592 1.00 0.00 N ATOM 260 CA ALA A 40 88.312 -5.099 -20.888 1.00 0.00 C ATOM 261 C ALA A 40 89.793 -4.858 -21.164 1.00 0.00 C ATOM 262 O ALA A 40 90.248 -4.941 -22.304 1.00 0.00 O ATOM 263 CB ALA A 40 87.565 -3.764 -20.908 1.00 0.00 C ATOM 0 H ALA A 40 87.717 -5.160 -18.871 1.00 0.00 H new ATOM 0 HA ALA A 40 87.910 -5.753 -21.662 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.703 -3.285 -21.877 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.503 -3.939 -20.737 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.957 -3.116 -20.124 1.00 0.00 H new ATOM 269 N TRP A 41 90.517 -4.547 -20.126 1.00 0.00 N ATOM 270 CA TRP A 41 91.946 -4.267 -20.237 1.00 0.00 C ATOM 271 C TRP A 41 92.669 -5.359 -21.025 1.00 0.00 C ATOM 272 O TRP A 41 93.623 -5.083 -21.751 1.00 0.00 O ATOM 273 CB TRP A 41 92.547 -4.164 -18.830 1.00 0.00 C ATOM 274 CG TRP A 41 93.869 -3.468 -18.891 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.987 -3.980 -19.454 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.234 -2.154 -18.375 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.011 -3.060 -19.327 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.597 -1.922 -18.667 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.523 -1.149 -17.691 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.232 -0.739 -18.296 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.164 0.044 -17.313 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.517 0.247 -17.616 1.00 0.00 C ATOM 0 H TRP A 41 90.148 -4.477 -19.177 1.00 0.00 H new ATOM 0 HA TRP A 41 92.073 -3.326 -20.773 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.869 -3.618 -18.174 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.670 -5.160 -18.404 1.00 0.00 H new ATOM 0 HD1 TRP A 41 95.067 -4.948 -19.925 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.957 -3.205 -19.679 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.479 -1.296 -17.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.274 -0.586 -18.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 93.611 0.808 -16.787 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.005 1.165 -17.324 1.00 0.00 H new ATOM 293 N THR A 42 92.216 -6.571 -20.884 1.00 0.00 N ATOM 294 CA THR A 42 92.834 -7.690 -21.591 1.00 0.00 C ATOM 295 C THR A 42 92.720 -7.513 -23.103 1.00 0.00 C ATOM 296 O THR A 42 93.568 -7.988 -23.859 1.00 0.00 O ATOM 297 CB THR A 42 92.160 -9.000 -21.181 1.00 0.00 C ATOM 298 OG1 THR A 42 90.757 -8.888 -21.373 1.00 0.00 O ATOM 299 CG2 THR A 42 92.458 -9.288 -19.710 1.00 0.00 C ATOM 0 H THR A 42 91.425 -6.824 -20.292 1.00 0.00 H new ATOM 0 HA THR A 42 93.890 -7.718 -21.323 1.00 0.00 H new ATOM 0 HB THR A 42 92.545 -9.816 -21.792 1.00 0.00 H new ATOM 0 HG1 THR A 42 90.341 -8.548 -20.554 1.00 0.00 H new ATOM 0 HG21 THR A 42 91.978 -10.222 -19.417 1.00 0.00 H new ATOM 0 HG22 THR A 42 93.535 -9.374 -19.567 1.00 0.00 H new ATOM 0 HG23 THR A 42 92.074 -8.474 -19.095 1.00 0.00 H new ATOM 307 N ILE A 43 91.679 -6.855 -23.528 1.00 0.00 N ATOM 308 CA ILE A 43 91.449 -6.634 -24.955 1.00 0.00 C ATOM 309 C ILE A 43 92.584 -5.825 -25.584 1.00 0.00 C ATOM 310 O ILE A 43 93.080 -6.169 -26.656 1.00 0.00 O ATOM 311 CB ILE A 43 90.120 -5.900 -25.154 1.00 0.00 C ATOM 312 CG1 ILE A 43 89.002 -6.669 -24.443 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.798 -5.811 -26.648 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.723 -5.831 -24.446 1.00 0.00 C ATOM 0 H ILE A 43 90.966 -6.456 -22.917 1.00 0.00 H new ATOM 0 HA ILE A 43 91.413 -7.606 -25.448 1.00 0.00 H new ATOM 0 HB ILE A 43 90.199 -4.895 -24.739 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.826 -7.621 -24.943 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.298 -6.897 -23.419 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.852 -5.288 -26.786 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.591 -5.266 -27.159 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.721 -6.816 -27.064 1.00 0.00 H new ATOM 0 HD11 ILE A 43 86.928 -6.379 -23.940 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.903 -4.890 -23.926 1.00 0.00 H new ATOM 0 HD13 ILE A 43 87.425 -5.626 -25.474 1.00 0.00 H new ATOM 326 N GLY A 44 92.967 -4.754 -24.940 1.00 0.00 N ATOM 327 CA GLY A 44 94.022 -3.885 -25.463 1.00 0.00 C ATOM 328 C GLY A 44 95.249 -4.676 -25.916 1.00 0.00 C ATOM 329 O GLY A 44 95.979 -4.241 -26.806 1.00 0.00 O ATOM 0 H GLY A 44 92.572 -4.451 -24.050 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.633 -3.309 -26.302 1.00 0.00 H new ATOM 0 HA3 GLY A 44 94.316 -3.170 -24.694 1.00 0.00 H new ATOM 333 N HIS A 45 95.473 -5.807 -25.312 1.00 0.00 N ATOM 334 CA HIS A 45 96.619 -6.642 -25.656 1.00 0.00 C ATOM 335 C HIS A 45 96.725 -6.844 -27.173 1.00 0.00 C ATOM 336 O HIS A 45 97.809 -7.090 -27.696 1.00 0.00 O ATOM 337 CB HIS A 45 96.474 -7.994 -24.954 1.00 0.00 C ATOM 338 CG HIS A 45 97.802 -8.699 -24.887 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.931 -10.055 -25.143 1.00 0.00 N ATOM 340 CD2 HIS A 45 99.064 -8.257 -24.571 1.00 0.00 C ATOM 341 CE1 HIS A 45 99.226 -10.378 -24.979 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.960 -9.319 -24.630 1.00 0.00 N ATOM 0 H HIS A 45 94.881 -6.186 -24.573 1.00 0.00 H new ATOM 0 HA HIS A 45 97.531 -6.144 -25.325 1.00 0.00 H new ATOM 0 HB2 HIS A 45 96.082 -7.847 -23.947 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.754 -8.613 -25.489 1.00 0.00 H new ATOM 0 HD2 HIS A 45 99.321 -7.240 -24.316 1.00 0.00 H new ATOM 0 HE1 HIS A 45 99.624 -11.373 -25.113 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.963 -9.294 -24.446 1.00 0.00 H new ATOM 495 N PRO B 25 82.975 15.882 0.807 1.00 0.00 N ATOM 496 CA PRO B 25 82.766 14.980 -0.367 1.00 0.00 C ATOM 497 C PRO B 25 84.089 14.617 -1.047 1.00 0.00 C ATOM 498 O PRO B 25 84.168 14.534 -2.273 1.00 0.00 O ATOM 499 CB PRO B 25 81.861 15.807 -1.295 1.00 0.00 C ATOM 500 CG PRO B 25 82.180 17.229 -0.966 1.00 0.00 C ATOM 501 CD PRO B 25 82.501 17.252 0.530 1.00 0.00 C ATOM 0 HA PRO B 25 82.326 14.022 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.063 15.588 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO B 25 80.808 15.587 -1.121 1.00 0.00 H new ATOM 0 HG2 PRO B 25 83.027 17.585 -1.553 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.337 17.881 -1.195 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.264 17.995 0.765 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.622 17.499 1.125 1.00 0.00 H new ATOM 509 N LEU B 26 85.104 14.406 -0.254 1.00 0.00 N ATOM 510 CA LEU B 26 86.419 14.053 -0.782 1.00 0.00 C ATOM 511 C LEU B 26 86.393 12.659 -1.409 1.00 0.00 C ATOM 512 O LEU B 26 86.877 12.462 -2.524 1.00 0.00 O ATOM 513 CB LEU B 26 87.454 14.099 0.350 1.00 0.00 C ATOM 514 CG LEU B 26 88.837 13.653 -0.154 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.267 14.506 -1.358 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.854 13.822 0.980 1.00 0.00 C ATOM 0 H LEU B 26 85.058 14.469 0.763 1.00 0.00 H new ATOM 0 HA LEU B 26 86.692 14.771 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.517 15.111 0.750 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.134 13.453 1.167 1.00 0.00 H new ATOM 0 HG LEU B 26 88.789 12.609 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.248 14.179 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.541 14.391 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.318 15.554 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.839 13.509 0.635 1.00 0.00 H new ATOM 0 HD22 LEU B 26 89.891 14.869 1.282 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.556 13.209 1.831 1.00 0.00 H new ATOM 528 N VAL B 27 85.838 11.715 -0.698 1.00 0.00 N ATOM 529 CA VAL B 27 85.756 10.343 -1.192 1.00 0.00 C ATOM 530 C VAL B 27 84.756 10.238 -2.341 1.00 0.00 C ATOM 531 O VAL B 27 84.941 9.450 -3.268 1.00 0.00 O ATOM 532 CB VAL B 27 85.338 9.404 -0.059 1.00 0.00 C ATOM 533 CG1 VAL B 27 85.379 7.958 -0.554 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.304 9.563 1.117 1.00 0.00 C ATOM 0 H VAL B 27 85.432 11.858 0.227 1.00 0.00 H new ATOM 0 HA VAL B 27 86.740 10.053 -1.560 1.00 0.00 H new ATOM 0 HB VAL B 27 84.326 9.652 0.262 1.00 0.00 H new ATOM 0 HG11 VAL B 27 85.081 7.289 0.253 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.694 7.841 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL B 27 86.391 7.712 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL B 27 86.007 8.894 1.925 1.00 0.00 H new ATOM 0 HG22 VAL B 27 87.315 9.315 0.794 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.279 10.593 1.471 1.00 0.00 H new ATOM 544 N VAL B 28 83.717 11.023 -2.272 1.00 0.00 N ATOM 545 CA VAL B 28 82.693 11.014 -3.313 1.00 0.00 C ATOM 546 C VAL B 28 83.245 11.616 -4.603 1.00 0.00 C ATOM 547 O VAL B 28 83.049 11.072 -5.689 1.00 0.00 O ATOM 548 CB VAL B 28 81.468 11.807 -2.852 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.386 11.748 -3.934 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.928 11.211 -1.546 1.00 0.00 C ATOM 0 H VAL B 28 83.545 11.681 -1.512 1.00 0.00 H new ATOM 0 HA VAL B 28 82.398 9.982 -3.503 1.00 0.00 H new ATOM 0 HB VAL B 28 81.752 12.845 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.513 12.313 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL B 28 80.771 12.179 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.102 10.710 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.056 11.778 -1.221 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.644 10.171 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL B 28 81.700 11.259 -0.778 1.00 0.00 H new ATOM 560 N ALA B 29 83.914 12.729 -4.472 1.00 0.00 N ATOM 561 CA ALA B 29 84.482 13.411 -5.631 1.00 0.00 C ATOM 562 C ALA B 29 85.263 12.432 -6.501 1.00 0.00 C ATOM 563 O ALA B 29 85.267 12.543 -7.727 1.00 0.00 O ATOM 564 CB ALA B 29 85.412 14.537 -5.172 1.00 0.00 C ATOM 0 H ALA B 29 84.086 13.193 -3.580 1.00 0.00 H new ATOM 0 HA ALA B 29 83.664 13.829 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.831 15.040 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.848 15.254 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.220 14.120 -4.571 1.00 0.00 H new ATOM 570 N ALA B 30 85.908 11.488 -5.874 1.00 0.00 N ATOM 571 CA ALA B 30 86.685 10.492 -6.604 1.00 0.00 C ATOM 572 C ALA B 30 85.782 9.669 -7.520 1.00 0.00 C ATOM 573 O ALA B 30 86.217 9.188 -8.567 1.00 0.00 O ATOM 574 CB ALA B 30 87.399 9.564 -5.620 1.00 0.00 C ATOM 0 H ALA B 30 85.919 11.377 -4.860 1.00 0.00 H new ATOM 0 HA ALA B 30 87.423 11.012 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA B 30 87.977 8.823 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.068 10.149 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.662 9.058 -4.997 1.00 0.00 H new ATOM 580 N SER B 31 84.549 9.510 -7.123 1.00 0.00 N ATOM 581 CA SER B 31 83.593 8.739 -7.911 1.00 0.00 C ATOM 582 C SER B 31 83.455 9.321 -9.315 1.00 0.00 C ATOM 583 O SER B 31 83.384 8.585 -10.299 1.00 0.00 O ATOM 584 CB SER B 31 82.228 8.738 -7.224 1.00 0.00 C ATOM 585 OG SER B 31 81.432 7.692 -7.766 1.00 0.00 O ATOM 0 H SER B 31 84.171 9.900 -6.260 1.00 0.00 H new ATOM 0 HA SER B 31 83.963 7.717 -7.989 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.349 8.600 -6.150 1.00 0.00 H new ATOM 0 HB3 SER B 31 81.734 9.699 -7.368 1.00 0.00 H new ATOM 0 HG SER B 31 80.556 7.687 -7.327 1.00 0.00 H new ATOM 591 N ILE B 32 83.416 10.622 -9.398 1.00 0.00 N ATOM 592 CA ILE B 32 83.282 11.291 -10.688 1.00 0.00 C ATOM 593 C ILE B 32 84.311 10.755 -11.680 1.00 0.00 C ATOM 594 O ILE B 32 84.066 10.718 -12.885 1.00 0.00 O ATOM 595 CB ILE B 32 83.475 12.799 -10.513 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.633 13.299 -9.330 1.00 0.00 C ATOM 597 CG2 ILE B 32 83.044 13.525 -11.789 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.182 12.827 -9.474 1.00 0.00 C ATOM 0 H ILE B 32 83.474 11.250 -8.596 1.00 0.00 H new ATOM 0 HA ILE B 32 82.283 11.094 -11.078 1.00 0.00 H new ATOM 0 HB ILE B 32 84.528 13.003 -10.317 1.00 0.00 H new ATOM 0 HG12 ILE B 32 83.052 12.929 -8.394 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.666 14.388 -9.286 1.00 0.00 H new ATOM 0 HG21 ILE B 32 83.183 14.599 -11.661 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.649 13.178 -12.627 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.993 13.316 -11.989 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.596 13.188 -8.629 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.762 13.219 -10.400 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.154 11.738 -9.495 1.00 0.00 H new ATOM 610 N ILE B 33 85.440 10.344 -11.173 1.00 0.00 N ATOM 611 CA ILE B 33 86.498 9.806 -12.021 1.00 0.00 C ATOM 612 C ILE B 33 86.094 8.437 -12.570 1.00 0.00 C ATOM 613 O ILE B 33 86.520 8.043 -13.656 1.00 0.00 O ATOM 614 CB ILE B 33 87.817 9.704 -11.229 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.171 11.098 -10.658 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.948 9.210 -12.156 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.648 11.161 -10.247 1.00 0.00 C ATOM 0 H ILE B 33 85.663 10.366 -10.178 1.00 0.00 H new ATOM 0 HA ILE B 33 86.651 10.483 -12.862 1.00 0.00 H new ATOM 0 HB ILE B 33 87.701 8.994 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.964 11.865 -11.405 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.540 11.314 -9.796 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.877 9.140 -11.591 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.690 8.228 -12.553 1.00 0.00 H new ATOM 0 HG23 ILE B 33 89.076 9.912 -12.980 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.873 12.150 -9.849 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.846 10.409 -9.483 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.276 10.969 -11.117 1.00 0.00 H new ATOM 629 N GLY B 34 85.289 7.726 -11.826 1.00 0.00 N ATOM 630 CA GLY B 34 84.845 6.401 -12.250 1.00 0.00 C ATOM 631 C GLY B 34 83.974 6.469 -13.502 1.00 0.00 C ATOM 632 O GLY B 34 84.206 5.743 -14.467 1.00 0.00 O ATOM 0 H GLY B 34 84.922 8.030 -10.924 1.00 0.00 H new ATOM 0 HA2 GLY B 34 85.713 5.772 -12.445 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.285 5.930 -11.443 1.00 0.00 H new ATOM 636 N ILE B 35 82.987 7.324 -13.480 1.00 0.00 N ATOM 637 CA ILE B 35 82.090 7.463 -14.625 1.00 0.00 C ATOM 638 C ILE B 35 82.853 7.960 -15.851 1.00 0.00 C ATOM 639 O ILE B 35 82.650 7.464 -16.959 1.00 0.00 O ATOM 640 CB ILE B 35 80.940 8.423 -14.294 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.487 9.678 -13.604 1.00 0.00 C ATOM 642 CG2 ILE B 35 79.944 7.723 -13.364 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.346 10.665 -13.357 1.00 0.00 C ATOM 0 H ILE B 35 82.774 7.937 -12.693 1.00 0.00 H new ATOM 0 HA ILE B 35 81.673 6.482 -14.850 1.00 0.00 H new ATOM 0 HB ILE B 35 80.439 8.713 -15.218 1.00 0.00 H new ATOM 0 HG12 ILE B 35 81.960 9.409 -12.659 1.00 0.00 H new ATOM 0 HG13 ILE B 35 82.254 10.141 -14.224 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.126 8.404 -13.128 1.00 0.00 H new ATOM 0 HG22 ILE B 35 79.547 6.836 -13.858 1.00 0.00 H new ATOM 0 HG23 ILE B 35 80.449 7.430 -12.444 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.736 11.557 -12.866 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.893 10.943 -14.309 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.594 10.200 -12.720 1.00 0.00 H new ATOM 655 N LEU B 36 83.716 8.918 -15.653 1.00 0.00 N ATOM 656 CA LEU B 36 84.499 9.456 -16.760 1.00 0.00 C ATOM 657 C LEU B 36 85.343 8.345 -17.378 1.00 0.00 C ATOM 658 O LEU B 36 85.428 8.211 -18.597 1.00 0.00 O ATOM 659 CB LEU B 36 85.409 10.583 -16.253 1.00 0.00 C ATOM 660 CG LEU B 36 86.269 11.140 -17.399 1.00 0.00 C ATOM 661 CD1 LEU B 36 85.372 11.674 -18.529 1.00 0.00 C ATOM 662 CD2 LEU B 36 87.142 12.276 -16.854 1.00 0.00 C ATOM 0 H LEU B 36 83.903 9.348 -14.747 1.00 0.00 H new ATOM 0 HA LEU B 36 83.825 9.857 -17.517 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.804 11.381 -15.824 1.00 0.00 H new ATOM 0 HB3 LEU B 36 86.052 10.208 -15.457 1.00 0.00 H new ATOM 0 HG LEU B 36 86.897 10.345 -17.801 1.00 0.00 H new ATOM 0 HD11 LEU B 36 85.995 12.065 -19.334 1.00 0.00 H new ATOM 0 HD12 LEU B 36 84.749 10.865 -18.912 1.00 0.00 H new ATOM 0 HD13 LEU B 36 84.736 12.470 -18.143 1.00 0.00 H new ATOM 0 HD21 LEU B 36 87.757 12.680 -17.658 1.00 0.00 H new ATOM 0 HD22 LEU B 36 86.505 13.065 -16.454 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.786 11.893 -16.062 1.00 0.00 H new ATOM 674 N HIS B 37 85.965 7.577 -16.536 1.00 0.00 N ATOM 675 CA HIS B 37 86.815 6.484 -16.985 1.00 0.00 C ATOM 676 C HIS B 37 86.019 5.454 -17.792 1.00 0.00 C ATOM 677 O HIS B 37 86.503 4.935 -18.797 1.00 0.00 O ATOM 678 CB HIS B 37 87.445 5.809 -15.763 1.00 0.00 C ATOM 679 CG HIS B 37 88.523 4.856 -16.193 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.346 3.482 -16.168 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.803 5.062 -16.645 1.00 0.00 C ATOM 682 CE1 HIS B 37 89.491 2.919 -16.591 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.413 3.837 -16.895 1.00 0.00 N ATOM 0 H HIS B 37 85.907 7.678 -15.523 1.00 0.00 H new ATOM 0 HA HIS B 37 87.591 6.890 -17.634 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.862 6.564 -15.097 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.680 5.274 -15.200 1.00 0.00 H new ATOM 0 HD2 HIS B 37 90.266 6.028 -16.785 1.00 0.00 H new ATOM 0 HE1 HIS B 37 89.647 1.854 -16.675 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.360 3.675 -17.237 1.00 0.00 H new ATOM 692 N PHE B 38 84.829 5.152 -17.343 1.00 0.00 N ATOM 693 CA PHE B 38 83.986 4.164 -18.017 1.00 0.00 C ATOM 694 C PHE B 38 83.450 4.661 -19.362 1.00 0.00 C ATOM 695 O PHE B 38 83.488 3.929 -20.351 1.00 0.00 O ATOM 696 CB PHE B 38 82.809 3.788 -17.112 1.00 0.00 C ATOM 697 CG PHE B 38 81.929 2.783 -17.818 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.283 1.429 -17.830 1.00 0.00 C ATOM 699 CD2 PHE B 38 80.760 3.207 -18.464 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.468 0.498 -18.488 1.00 0.00 C ATOM 701 CE2 PHE B 38 79.946 2.277 -19.120 1.00 0.00 C ATOM 702 CZ PHE B 38 80.300 0.922 -19.132 1.00 0.00 C ATOM 0 H PHE B 38 84.409 5.570 -16.513 1.00 0.00 H new ATOM 0 HA PHE B 38 84.612 3.294 -18.216 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.177 3.370 -16.175 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.232 4.678 -16.860 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.184 1.102 -17.332 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.487 4.252 -18.456 1.00 0.00 H new ATOM 0 HE1 PHE B 38 81.741 -0.547 -18.498 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.045 2.604 -19.617 1.00 0.00 H new ATOM 0 HZ PHE B 38 79.672 0.204 -19.638 1.00 0.00 H new ATOM 712 N ILE B 39 82.942 5.863 -19.399 1.00 0.00 N ATOM 713 CA ILE B 39 82.388 6.387 -20.646 1.00 0.00 C ATOM 714 C ILE B 39 83.482 6.621 -21.684 1.00 0.00 C ATOM 715 O ILE B 39 83.232 6.516 -22.882 1.00 0.00 O ATOM 716 CB ILE B 39 81.607 7.683 -20.398 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.809 8.042 -21.656 1.00 0.00 C ATOM 718 CG2 ILE B 39 82.573 8.820 -20.070 1.00 0.00 C ATOM 719 CD1 ILE B 39 79.894 9.233 -21.363 1.00 0.00 C ATOM 0 H ILE B 39 82.894 6.498 -18.603 1.00 0.00 H new ATOM 0 HA ILE B 39 81.701 5.637 -21.038 1.00 0.00 H new ATOM 0 HB ILE B 39 80.928 7.537 -19.558 1.00 0.00 H new ATOM 0 HG12 ILE B 39 81.489 8.285 -22.473 1.00 0.00 H new ATOM 0 HG13 ILE B 39 80.216 7.186 -21.979 1.00 0.00 H new ATOM 0 HG21 ILE B 39 82.010 9.737 -19.895 1.00 0.00 H new ATOM 0 HG22 ILE B 39 83.142 8.567 -19.175 1.00 0.00 H new ATOM 0 HG23 ILE B 39 83.258 8.968 -20.905 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.328 9.486 -22.259 1.00 0.00 H new ATOM 0 HD12 ILE B 39 79.205 8.973 -20.560 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.497 10.089 -21.061 1.00 0.00 H new ATOM 731 N ALA B 40 84.672 6.927 -21.243 1.00 0.00 N ATOM 732 CA ALA B 40 85.770 7.153 -22.177 1.00 0.00 C ATOM 733 C ALA B 40 86.197 5.833 -22.816 1.00 0.00 C ATOM 734 O ALA B 40 86.507 5.771 -24.006 1.00 0.00 O ATOM 735 CB ALA B 40 86.960 7.777 -21.448 1.00 0.00 C ATOM 0 H ALA B 40 84.916 7.027 -20.258 1.00 0.00 H new ATOM 0 HA ALA B 40 85.429 7.835 -22.956 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.774 7.941 -22.154 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.660 8.730 -21.011 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.296 7.105 -20.658 1.00 0.00 H new ATOM 741 N TRP B 41 86.220 4.806 -22.012 1.00 0.00 N ATOM 742 CA TRP B 41 86.620 3.476 -22.457 1.00 0.00 C ATOM 743 C TRP B 41 85.802 3.022 -23.666 1.00 0.00 C ATOM 744 O TRP B 41 86.324 2.377 -24.576 1.00 0.00 O ATOM 745 CB TRP B 41 86.422 2.490 -21.300 1.00 0.00 C ATOM 746 CG TRP B 41 87.155 1.212 -21.569 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.868 0.344 -22.567 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.276 0.634 -20.836 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.749 -0.718 -22.504 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.634 -0.588 -21.453 1.00 0.00 C ATOM 751 CE3 TRP B 41 89.015 1.047 -19.710 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.682 -1.370 -20.974 1.00 0.00 C ATOM 753 CZ3 TRP B 41 90.070 0.256 -19.223 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.402 -0.950 -19.855 1.00 0.00 C ATOM 0 H TRP B 41 85.964 4.855 -21.026 1.00 0.00 H new ATOM 0 HA TRP B 41 87.667 3.507 -22.757 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.781 2.933 -20.371 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.360 2.286 -21.166 1.00 0.00 H new ATOM 0 HD1 TRP B 41 86.079 0.462 -23.294 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.746 -1.503 -23.155 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.770 1.977 -19.218 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.936 -2.297 -21.466 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.628 0.580 -18.357 1.00 0.00 H new ATOM 0 HH2 TRP B 41 91.214 -1.553 -19.477 1.00 0.00 H new ATOM 765 N THR B 42 84.545 3.361 -23.671 1.00 0.00 N ATOM 766 CA THR B 42 83.674 2.973 -24.779 1.00 0.00 C ATOM 767 C THR B 42 84.247 3.447 -26.117 1.00 0.00 C ATOM 768 O THR B 42 84.125 2.756 -27.129 1.00 0.00 O ATOM 769 CB THR B 42 82.266 3.543 -24.590 1.00 0.00 C ATOM 770 OG1 THR B 42 82.347 4.935 -24.339 1.00 0.00 O ATOM 771 CG2 THR B 42 81.582 2.846 -23.412 1.00 0.00 C ATOM 0 H THR B 42 84.089 3.900 -22.935 1.00 0.00 H new ATOM 0 HA THR B 42 83.616 1.885 -24.787 1.00 0.00 H new ATOM 0 HB THR B 42 81.683 3.373 -25.495 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.620 5.084 -23.410 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.580 3.254 -23.280 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.515 1.776 -23.611 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.163 3.010 -22.505 1.00 0.00 H new ATOM 779 N ILE B 43 84.852 4.607 -26.119 1.00 0.00 N ATOM 780 CA ILE B 43 85.428 5.154 -27.349 1.00 0.00 C ATOM 781 C ILE B 43 86.588 4.283 -27.848 1.00 0.00 C ATOM 782 O ILE B 43 86.634 3.913 -29.020 1.00 0.00 O ATOM 783 CB ILE B 43 85.923 6.594 -27.108 1.00 0.00 C ATOM 784 CG1 ILE B 43 84.722 7.538 -26.962 1.00 0.00 C ATOM 785 CG2 ILE B 43 86.778 7.068 -28.290 1.00 0.00 C ATOM 786 CD1 ILE B 43 83.896 7.165 -25.728 1.00 0.00 C ATOM 0 H ILE B 43 84.965 5.198 -25.295 1.00 0.00 H new ATOM 0 HA ILE B 43 84.650 5.162 -28.112 1.00 0.00 H new ATOM 0 HB ILE B 43 86.521 6.605 -26.197 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.069 8.568 -26.877 1.00 0.00 H new ATOM 0 HG13 ILE B 43 84.099 7.484 -27.854 1.00 0.00 H new ATOM 0 HG21 ILE B 43 87.121 8.086 -28.106 1.00 0.00 H new ATOM 0 HG22 ILE B 43 87.640 6.410 -28.403 1.00 0.00 H new ATOM 0 HG23 ILE B 43 86.182 7.045 -29.202 1.00 0.00 H new ATOM 0 HD11 ILE B 43 83.048 7.844 -25.639 1.00 0.00 H new ATOM 0 HD12 ILE B 43 83.533 6.142 -25.829 1.00 0.00 H new ATOM 0 HD13 ILE B 43 84.518 7.243 -24.837 1.00 0.00 H new ATOM 798 N GLY B 44 87.508 3.977 -26.975 1.00 0.00 N ATOM 799 CA GLY B 44 88.668 3.168 -27.347 1.00 0.00 C ATOM 800 C GLY B 44 88.249 1.906 -28.095 1.00 0.00 C ATOM 801 O GLY B 44 88.985 1.399 -28.942 1.00 0.00 O ATOM 0 H GLY B 44 87.490 4.269 -25.998 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.339 3.757 -27.972 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.225 2.894 -26.451 1.00 0.00 H new ATOM 805 N HIS B 45 87.088 1.417 -27.780 1.00 0.00 N ATOM 806 CA HIS B 45 86.560 0.213 -28.413 1.00 0.00 C ATOM 807 C HIS B 45 86.422 0.388 -29.928 1.00 0.00 C ATOM 808 O HIS B 45 86.459 -0.585 -30.678 1.00 0.00 O ATOM 809 CB HIS B 45 85.197 -0.133 -27.808 1.00 0.00 C ATOM 810 CG HIS B 45 84.814 -1.543 -28.177 1.00 0.00 C ATOM 811 ND1 HIS B 45 85.237 -2.766 -27.711 1.00 0.00 N flip ATOM 812 CD2 HIS B 45 83.863 -1.818 -29.148 1.00 0.00 C flip ATOM 813 CE1 HIS B 45 84.560 -3.781 -28.381 1.00 0.00 C flip ATOM 814 NE2 HIS B 45 83.745 -3.156 -29.234 1.00 0.00 N flip ATOM 0 H HIS B 45 86.470 1.829 -27.081 1.00 0.00 H new ATOM 0 HA HIS B 45 87.264 -0.599 -28.231 1.00 0.00 H new ATOM 0 HB2 HIS B 45 85.234 -0.029 -26.724 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.441 0.565 -28.169 1.00 0.00 H new ATOM 0 HD2 HIS B 45 83.316 -1.091 -29.730 1.00 0.00 H new ATOM 0 HE1 HIS B 45 84.670 -4.846 -28.241 1.00 0.00 H new ATOM 0 HE2 HIS B 45 83.110 -3.634 -29.873 1.00 0.00 H new ATOM 823 N LEU B 46 86.243 1.602 -30.364 1.00 0.00 N ATOM 824 CA LEU B 46 86.077 1.867 -31.792 1.00 0.00 C ATOM 825 C LEU B 46 87.175 1.196 -32.632 1.00 0.00 C ATOM 826 O LEU B 46 86.943 0.842 -33.788 1.00 0.00 O ATOM 827 CB LEU B 46 86.037 3.395 -32.051 1.00 0.00 C ATOM 828 CG LEU B 46 87.465 3.989 -32.189 1.00 0.00 C ATOM 829 CD1 LEU B 46 87.914 3.999 -33.671 1.00 0.00 C ATOM 830 CD2 LEU B 46 87.485 5.432 -31.645 1.00 0.00 C ATOM 0 H LEU B 46 86.206 2.429 -29.768 1.00 0.00 H new ATOM 0 HA LEU B 46 85.127 1.432 -32.103 1.00 0.00 H new ATOM 0 HB2 LEU B 46 85.469 3.596 -32.960 1.00 0.00 H new ATOM 0 HB3 LEU B 46 85.514 3.890 -31.233 1.00 0.00 H new ATOM 0 HG LEU B 46 88.151 3.366 -31.615 1.00 0.00 H new ATOM 0 HD11 LEU B 46 88.917 4.419 -33.744 1.00 0.00 H new ATOM 0 HD12 LEU B 46 87.918 2.980 -34.057 1.00 0.00 H new ATOM 0 HD13 LEU B 46 87.223 4.605 -34.256 1.00 0.00 H new ATOM 0 HD21 LEU B 46 88.489 5.844 -31.744 1.00 0.00 H new ATOM 0 HD22 LEU B 46 86.784 6.044 -32.212 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.196 5.429 -30.594 1.00 0.00 H new ATOM 842 N ASN B 47 88.355 1.067 -32.082 1.00 0.00 N ATOM 843 CA ASN B 47 89.474 0.484 -32.829 1.00 0.00 C ATOM 844 C ASN B 47 89.309 -1.018 -33.110 1.00 0.00 C ATOM 845 O ASN B 47 89.497 -1.456 -34.244 1.00 0.00 O ATOM 846 CB ASN B 47 90.793 0.734 -32.079 1.00 0.00 C ATOM 847 CG ASN B 47 90.972 -0.257 -30.928 1.00 0.00 C ATOM 848 OD1 ASN B 47 91.183 -1.446 -31.158 1.00 0.00 O ATOM 849 ND2 ASN B 47 90.913 0.170 -29.696 1.00 0.00 N ATOM 0 H ASN B 47 88.579 1.351 -31.128 1.00 0.00 H new ATOM 0 HA ASN B 47 89.489 0.981 -33.799 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.630 0.646 -32.771 1.00 0.00 H new ATOM 0 HB3 ASN B 47 90.806 1.752 -31.691 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.042 -0.483 -28.923 1.00 0.00 H new ATOM 0 HD22 ASN B 47 90.738 1.157 -29.506 1.00 0.00 H new ATOM 856 N GLN B 48 89.002 -1.795 -32.105 1.00 0.00 N ATOM 857 CA GLN B 48 88.868 -3.220 -32.273 1.00 0.00 C ATOM 858 C GLN B 48 87.638 -3.591 -33.101 1.00 0.00 C ATOM 859 O GLN B 48 87.726 -4.398 -34.027 1.00 0.00 O ATOM 860 CB GLN B 48 88.811 -3.868 -30.886 1.00 0.00 C ATOM 861 CG GLN B 48 88.013 -2.997 -29.912 1.00 0.00 C ATOM 862 CD GLN B 48 87.850 -3.728 -28.587 1.00 0.00 C ATOM 863 OE1 GLN B 48 87.321 -4.839 -28.551 1.00 0.00 O ATOM 864 NE2 GLN B 48 88.275 -3.167 -27.488 1.00 0.00 N ATOM 0 H GLN B 48 88.839 -1.463 -31.154 1.00 0.00 H new ATOM 0 HA GLN B 48 89.730 -3.592 -32.826 1.00 0.00 H new ATOM 0 HB2 GLN B 48 88.352 -4.854 -30.959 1.00 0.00 H new ATOM 0 HB3 GLN B 48 89.822 -4.014 -30.506 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.525 -2.048 -29.754 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.035 -2.765 -30.334 1.00 0.00 H new ATOM 0 HE21 GLN B 48 88.713 -2.246 -27.522 1.00 0.00 H new ATOM 0 HE22 GLN B 48 88.169 -3.649 -26.595 1.00 0.00 H new ATOM 873 N ILE B 49 86.520 -3.029 -32.764 1.00 0.00 N ATOM 874 CA ILE B 49 85.287 -3.338 -33.488 1.00 0.00 C ATOM 875 C ILE B 49 85.458 -3.117 -34.992 1.00 0.00 C ATOM 876 O ILE B 49 85.422 -4.074 -35.766 1.00 0.00 O ATOM 877 CB ILE B 49 84.114 -2.505 -32.949 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.842 -2.872 -33.727 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.399 -0.999 -33.089 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.623 -2.234 -33.054 1.00 0.00 C ATOM 0 H ILE B 49 86.416 -2.358 -32.003 1.00 0.00 H new ATOM 0 HA ILE B 49 85.063 -4.392 -33.327 1.00 0.00 H new ATOM 0 HB ILE B 49 83.980 -2.725 -31.890 1.00 0.00 H new ATOM 0 HG12 ILE B 49 82.922 -2.527 -34.758 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.725 -3.955 -33.762 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.554 -0.431 -32.700 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.297 -0.745 -32.526 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.549 -0.753 -34.140 1.00 0.00 H new ATOM 0 HD11 ILE B 49 80.722 -2.496 -33.609 1.00 0.00 H new ATOM 0 HD12 ILE B 49 81.539 -2.600 -32.031 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.739 -1.150 -33.043 1.00 0.00 H new ATOM 967 N PRO C 25 95.572 9.548 5.564 1.00 0.00 N ATOM 968 CA PRO C 25 95.802 10.033 4.170 1.00 0.00 C ATOM 969 C PRO C 25 96.027 8.877 3.194 1.00 0.00 C ATOM 970 O PRO C 25 96.351 9.091 2.025 1.00 0.00 O ATOM 971 CB PRO C 25 97.059 10.899 4.310 1.00 0.00 C ATOM 972 CG PRO C 25 97.823 10.276 5.435 1.00 0.00 C ATOM 973 CD PRO C 25 96.773 9.714 6.403 1.00 0.00 C ATOM 0 HA PRO C 25 94.948 10.575 3.764 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.642 10.903 3.389 1.00 0.00 H new ATOM 0 HB3 PRO C 25 96.804 11.936 4.530 1.00 0.00 H new ATOM 0 HG2 PRO C 25 98.479 9.486 5.070 1.00 0.00 H new ATOM 0 HG3 PRO C 25 98.456 11.012 5.931 1.00 0.00 H new ATOM 0 HD2 PRO C 25 97.094 8.766 6.834 1.00 0.00 H new ATOM 0 HD3 PRO C 25 96.589 10.396 7.233 1.00 0.00 H new ATOM 981 N LEU C 26 95.860 7.676 3.677 1.00 0.00 N ATOM 982 CA LEU C 26 96.048 6.490 2.846 1.00 0.00 C ATOM 983 C LEU C 26 95.019 6.452 1.716 1.00 0.00 C ATOM 984 O LEU C 26 95.366 6.234 0.556 1.00 0.00 O ATOM 985 CB LEU C 26 95.919 5.230 3.713 1.00 0.00 C ATOM 986 CG LEU C 26 95.977 3.963 2.844 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.249 3.966 1.985 1.00 0.00 C ATOM 988 CD2 LEU C 26 95.982 2.733 3.760 1.00 0.00 C ATOM 0 H LEU C 26 95.594 7.480 4.642 1.00 0.00 H new ATOM 0 HA LEU C 26 97.043 6.528 2.403 1.00 0.00 H new ATOM 0 HB2 LEU C 26 96.720 5.207 4.451 1.00 0.00 H new ATOM 0 HB3 LEU C 26 94.979 5.256 4.264 1.00 0.00 H new ATOM 0 HG LEU C 26 95.109 3.937 2.185 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.278 3.063 1.374 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.248 4.843 1.337 1.00 0.00 H new ATOM 0 HD13 LEU C 26 98.125 3.994 2.633 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.023 1.828 3.154 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.852 2.771 4.415 1.00 0.00 H new ATOM 0 HD23 LEU C 26 95.074 2.725 4.363 1.00 0.00 H new ATOM 1000 N VAL C 27 93.779 6.657 2.063 1.00 0.00 N ATOM 1001 CA VAL C 27 92.701 6.640 1.079 1.00 0.00 C ATOM 1002 C VAL C 27 92.776 7.860 0.165 1.00 0.00 C ATOM 1003 O VAL C 27 92.493 7.773 -1.030 1.00 0.00 O ATOM 1004 CB VAL C 27 91.351 6.624 1.797 1.00 0.00 C ATOM 1005 CG1 VAL C 27 90.223 6.582 0.766 1.00 0.00 C ATOM 1006 CG2 VAL C 27 91.269 5.386 2.694 1.00 0.00 C ATOM 0 H VAL C 27 93.476 6.839 3.020 1.00 0.00 H new ATOM 0 HA VAL C 27 92.808 5.743 0.469 1.00 0.00 H new ATOM 0 HB VAL C 27 91.251 7.523 2.405 1.00 0.00 H new ATOM 0 HG11 VAL C 27 89.261 6.571 1.279 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.282 7.462 0.126 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.320 5.683 0.157 1.00 0.00 H new ATOM 0 HG21 VAL C 27 90.308 5.372 3.207 1.00 0.00 H new ATOM 0 HG22 VAL C 27 91.368 4.488 2.084 1.00 0.00 H new ATOM 0 HG23 VAL C 27 92.073 5.416 3.430 1.00 0.00 H new ATOM 1016 N VAL C 28 93.149 8.973 0.729 1.00 0.00 N ATOM 1017 CA VAL C 28 93.256 10.212 -0.034 1.00 0.00 C ATOM 1018 C VAL C 28 94.436 10.151 -1.002 1.00 0.00 C ATOM 1019 O VAL C 28 94.328 10.565 -2.156 1.00 0.00 O ATOM 1020 CB VAL C 28 93.436 11.394 0.919 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.613 12.681 0.110 1.00 0.00 C ATOM 1022 CG2 VAL C 28 92.201 11.520 1.815 1.00 0.00 C ATOM 0 H VAL C 28 93.388 9.062 1.717 1.00 0.00 H new ATOM 0 HA VAL C 28 92.339 10.342 -0.609 1.00 0.00 H new ATOM 0 HB VAL C 28 94.319 11.230 1.537 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.741 13.523 0.790 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.493 12.592 -0.527 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.731 12.846 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL C 28 92.329 12.363 2.495 1.00 0.00 H new ATOM 0 HG22 VAL C 28 91.318 11.683 1.197 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.075 10.604 2.392 1.00 0.00 H new ATOM 1032 N ALA C 29 95.543 9.656 -0.524 1.00 0.00 N ATOM 1033 CA ALA C 29 96.748 9.560 -1.341 1.00 0.00 C ATOM 1034 C ALA C 29 96.504 8.739 -2.607 1.00 0.00 C ATOM 1035 O ALA C 29 97.023 9.067 -3.671 1.00 0.00 O ATOM 1036 CB ALA C 29 97.876 8.921 -0.528 1.00 0.00 C ATOM 0 H ALA C 29 95.649 9.308 0.429 1.00 0.00 H new ATOM 0 HA ALA C 29 97.030 10.570 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.773 8.852 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA C 29 98.084 9.533 0.350 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.575 7.922 -0.211 1.00 0.00 H new ATOM 1042 N ALA C 30 95.735 7.692 -2.490 1.00 0.00 N ATOM 1043 CA ALA C 30 95.446 6.839 -3.642 1.00 0.00 C ATOM 1044 C ALA C 30 94.669 7.608 -4.708 1.00 0.00 C ATOM 1045 O ALA C 30 94.785 7.327 -5.901 1.00 0.00 O ATOM 1046 CB ALA C 30 94.632 5.622 -3.199 1.00 0.00 C ATOM 0 H ALA C 30 95.292 7.398 -1.619 1.00 0.00 H new ATOM 0 HA ALA C 30 96.394 6.511 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA C 30 94.421 4.992 -4.063 1.00 0.00 H new ATOM 0 HB2 ALA C 30 95.200 5.052 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.694 5.954 -2.754 1.00 0.00 H new ATOM 1052 N SER C 31 93.887 8.553 -4.273 1.00 0.00 N ATOM 1053 CA SER C 31 93.082 9.355 -5.190 1.00 0.00 C ATOM 1054 C SER C 31 93.936 9.919 -6.326 1.00 0.00 C ATOM 1055 O SER C 31 93.475 10.032 -7.461 1.00 0.00 O ATOM 1056 CB SER C 31 92.423 10.507 -4.432 1.00 0.00 C ATOM 1057 OG SER C 31 91.489 11.155 -5.286 1.00 0.00 O ATOM 0 H SER C 31 93.779 8.799 -3.289 1.00 0.00 H new ATOM 0 HA SER C 31 92.317 8.709 -5.620 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.920 10.131 -3.541 1.00 0.00 H new ATOM 0 HB3 SER C 31 93.179 11.216 -4.095 1.00 0.00 H new ATOM 0 HG SER C 31 91.063 11.894 -4.804 1.00 0.00 H new ATOM 1063 N ILE C 32 95.150 10.280 -6.015 1.00 0.00 N ATOM 1064 CA ILE C 32 96.054 10.850 -7.014 1.00 0.00 C ATOM 1065 C ILE C 32 96.210 9.926 -8.226 1.00 0.00 C ATOM 1066 O ILE C 32 96.467 10.386 -9.338 1.00 0.00 O ATOM 1067 CB ILE C 32 97.430 11.112 -6.382 1.00 0.00 C ATOM 1068 CG1 ILE C 32 98.226 12.067 -7.280 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.206 9.793 -6.218 1.00 0.00 C ATOM 1070 CD1 ILE C 32 99.579 12.372 -6.633 1.00 0.00 C ATOM 0 H ILE C 32 95.550 10.195 -5.081 1.00 0.00 H new ATOM 0 HA ILE C 32 95.621 11.789 -7.360 1.00 0.00 H new ATOM 0 HB ILE C 32 97.289 11.559 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.374 11.620 -8.263 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.667 12.991 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE C 32 99.178 9.996 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.643 9.117 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.347 9.330 -7.195 1.00 0.00 H new ATOM 0 HD11 ILE C 32 100.143 13.051 -7.272 1.00 0.00 H new ATOM 0 HD12 ILE C 32 99.420 12.838 -5.660 1.00 0.00 H new ATOM 0 HD13 ILE C 32 100.138 11.445 -6.505 1.00 0.00 H new ATOM 1082 N ILE C 33 96.085 8.650 -7.999 1.00 0.00 N ATOM 1083 CA ILE C 33 96.243 7.669 -9.071 1.00 0.00 C ATOM 1084 C ILE C 33 95.101 7.761 -10.086 1.00 0.00 C ATOM 1085 O ILE C 33 95.314 7.570 -11.283 1.00 0.00 O ATOM 1086 CB ILE C 33 96.315 6.246 -8.481 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.458 6.182 -7.440 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.575 5.226 -9.608 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.832 4.728 -7.129 1.00 0.00 C ATOM 0 H ILE C 33 95.874 8.249 -7.085 1.00 0.00 H new ATOM 0 HA ILE C 33 97.174 7.890 -9.593 1.00 0.00 H new ATOM 0 HB ILE C 33 95.369 6.004 -7.997 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.331 6.713 -7.819 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.150 6.687 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.625 4.222 -9.186 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.765 5.274 -10.336 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.519 5.460 -10.100 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.637 4.709 -6.395 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.963 4.207 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.162 4.234 -8.043 1.00 0.00 H new ATOM 1101 N GLY C 34 93.913 8.024 -9.619 1.00 0.00 N ATOM 1102 CA GLY C 34 92.759 8.107 -10.511 1.00 0.00 C ATOM 1103 C GLY C 34 92.864 9.282 -11.481 1.00 0.00 C ATOM 1104 O GLY C 34 92.623 9.130 -12.677 1.00 0.00 O ATOM 0 H GLY C 34 93.705 8.186 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.671 7.179 -11.075 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.850 8.207 -9.918 1.00 0.00 H new ATOM 1108 N ILE C 35 93.216 10.427 -10.974 1.00 0.00 N ATOM 1109 CA ILE C 35 93.341 11.612 -11.818 1.00 0.00 C ATOM 1110 C ILE C 35 94.552 11.494 -12.742 1.00 0.00 C ATOM 1111 O ILE C 35 94.572 12.067 -13.832 1.00 0.00 O ATOM 1112 CB ILE C 35 93.469 12.866 -10.948 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.727 14.085 -11.839 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.627 12.694 -9.969 1.00 0.00 C ATOM 1115 CD1 ILE C 35 93.523 15.367 -11.028 1.00 0.00 C ATOM 0 H ILE C 35 93.424 10.581 -9.987 1.00 0.00 H new ATOM 0 HA ILE C 35 92.444 11.691 -12.432 1.00 0.00 H new ATOM 0 HB ILE C 35 92.544 13.015 -10.391 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.742 14.051 -12.234 1.00 0.00 H new ATOM 0 HG13 ILE C 35 93.051 14.072 -12.694 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.717 13.587 -9.351 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.440 11.829 -9.332 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.553 12.542 -10.524 1.00 0.00 H new ATOM 0 HD11 ILE C 35 93.707 16.233 -11.664 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.500 15.402 -10.654 1.00 0.00 H new ATOM 0 HD13 ILE C 35 94.217 15.380 -10.187 1.00 0.00 H new ATOM 1127 N LEU C 36 95.550 10.778 -12.298 1.00 0.00 N ATOM 1128 CA LEU C 36 96.771 10.610 -13.080 1.00 0.00 C ATOM 1129 C LEU C 36 96.505 9.908 -14.415 1.00 0.00 C ATOM 1130 O LEU C 36 97.000 10.345 -15.453 1.00 0.00 O ATOM 1131 CB LEU C 36 97.795 9.807 -12.263 1.00 0.00 C ATOM 1132 CG LEU C 36 99.049 9.511 -13.100 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.620 10.812 -13.683 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.101 8.851 -12.201 1.00 0.00 C ATOM 0 H LEU C 36 95.553 10.296 -11.399 1.00 0.00 H new ATOM 0 HA LEU C 36 97.165 11.601 -13.304 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.072 10.366 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.347 8.872 -11.928 1.00 0.00 H new ATOM 0 HG LEU C 36 98.785 8.845 -13.921 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.508 10.587 -14.274 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.872 11.285 -14.319 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.886 11.489 -12.871 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.996 8.636 -12.785 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.355 9.525 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.701 7.922 -11.795 1.00 0.00 H new ATOM 1146 N HIS C 37 95.766 8.827 -14.388 1.00 0.00 N ATOM 1147 CA HIS C 37 95.496 8.083 -15.619 1.00 0.00 C ATOM 1148 C HIS C 37 94.848 8.963 -16.685 1.00 0.00 C ATOM 1149 O HIS C 37 95.029 8.733 -17.881 1.00 0.00 O ATOM 1150 CB HIS C 37 94.610 6.859 -15.333 1.00 0.00 C ATOM 1151 CG HIS C 37 93.185 7.273 -15.062 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.476 8.118 -15.904 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.314 6.936 -14.055 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.240 8.259 -15.392 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.088 7.560 -14.267 1.00 0.00 N ATOM 0 H HIS C 37 95.341 8.437 -13.547 1.00 0.00 H new ATOM 0 HA HIS C 37 96.457 7.743 -16.006 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.639 6.178 -16.184 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.003 6.314 -14.475 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.545 6.285 -13.225 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.465 8.865 -15.838 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.252 7.496 -13.686 1.00 0.00 H new ATOM 1164 N PHE C 38 94.102 9.944 -16.261 1.00 0.00 N ATOM 1165 CA PHE C 38 93.429 10.838 -17.200 1.00 0.00 C ATOM 1166 C PHE C 38 94.433 11.602 -18.058 1.00 0.00 C ATOM 1167 O PHE C 38 94.218 11.789 -19.255 1.00 0.00 O ATOM 1168 CB PHE C 38 92.552 11.830 -16.438 1.00 0.00 C ATOM 1169 CG PHE C 38 91.777 12.674 -17.424 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.698 12.121 -18.122 1.00 0.00 C ATOM 1171 CD2 PHE C 38 92.140 14.011 -17.640 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.980 12.902 -19.036 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.421 14.791 -18.554 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.341 14.236 -19.252 1.00 0.00 C ATOM 0 H PHE C 38 93.936 10.156 -15.277 1.00 0.00 H new ATOM 0 HA PHE C 38 92.811 10.227 -17.858 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.866 11.296 -15.781 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.170 12.466 -15.804 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.419 11.091 -17.956 1.00 0.00 H new ATOM 0 HD2 PHE C 38 92.973 14.439 -17.102 1.00 0.00 H new ATOM 0 HE1 PHE C 38 89.147 12.474 -19.574 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.699 15.821 -18.721 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.787 14.838 -19.957 1.00 0.00 H new ATOM 1184 N ILE C 39 95.502 12.043 -17.454 1.00 0.00 N ATOM 1185 CA ILE C 39 96.516 12.795 -18.185 1.00 0.00 C ATOM 1186 C ILE C 39 97.045 11.978 -19.360 1.00 0.00 C ATOM 1187 O ILE C 39 97.162 12.487 -20.471 1.00 0.00 O ATOM 1188 CB ILE C 39 97.675 13.163 -17.253 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.181 14.152 -16.194 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.804 13.812 -18.063 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.251 14.334 -15.114 1.00 0.00 C ATOM 0 H ILE C 39 95.704 11.902 -16.464 1.00 0.00 H new ATOM 0 HA ILE C 39 96.057 13.707 -18.567 1.00 0.00 H new ATOM 0 HB ILE C 39 98.048 12.261 -16.769 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.953 15.112 -16.658 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.257 13.787 -15.745 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.627 14.072 -17.397 1.00 0.00 H new ATOM 0 HG22 ILE C 39 99.158 13.112 -18.820 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.431 14.714 -18.549 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.894 15.039 -14.363 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.458 13.374 -14.641 1.00 0.00 H new ATOM 0 HD13 ILE C 39 99.164 14.719 -15.568 1.00 0.00 H new ATOM 1203 N ALA C 40 97.365 10.739 -19.113 1.00 0.00 N ATOM 1204 CA ALA C 40 97.887 9.877 -20.164 1.00 0.00 C ATOM 1205 C ALA C 40 96.798 9.537 -21.177 1.00 0.00 C ATOM 1206 O ALA C 40 97.068 9.396 -22.369 1.00 0.00 O ATOM 1207 CB ALA C 40 98.446 8.591 -19.554 1.00 0.00 C ATOM 0 H ALA C 40 97.278 10.294 -18.199 1.00 0.00 H new ATOM 0 HA ALA C 40 98.685 10.410 -20.680 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.835 7.951 -20.346 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.249 8.837 -18.859 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.653 8.067 -19.021 1.00 0.00 H new ATOM 1213 N TRP C 41 95.589 9.401 -20.701 1.00 0.00 N ATOM 1214 CA TRP C 41 94.466 9.068 -21.573 1.00 0.00 C ATOM 1215 C TRP C 41 94.450 9.984 -22.789 1.00 0.00 C ATOM 1216 O TRP C 41 94.014 9.592 -23.872 1.00 0.00 O ATOM 1217 CB TRP C 41 93.151 9.221 -20.798 1.00 0.00 C ATOM 1218 CG TRP C 41 92.040 8.531 -21.526 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.488 8.956 -22.687 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.333 7.311 -21.160 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.492 8.070 -23.059 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.358 7.041 -22.149 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.442 6.421 -20.077 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.521 5.927 -22.067 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.599 5.299 -19.991 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.641 5.054 -20.985 1.00 0.00 C ATOM 0 H TRP C 41 95.344 9.513 -19.717 1.00 0.00 H new ATOM 0 HA TRP C 41 94.575 8.037 -21.910 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.258 8.799 -19.799 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.914 10.278 -20.674 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.778 9.841 -23.233 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.926 8.166 -23.902 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.177 6.600 -19.307 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.785 5.742 -22.836 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.690 4.622 -19.154 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.996 4.190 -20.913 1.00 0.00 H new ATOM 1237 N THR C 42 94.921 11.184 -22.605 1.00 0.00 N ATOM 1238 CA THR C 42 94.957 12.153 -23.692 1.00 0.00 C ATOM 1239 C THR C 42 95.683 11.580 -24.911 1.00 0.00 C ATOM 1240 O THR C 42 95.226 11.738 -26.044 1.00 0.00 O ATOM 1241 CB THR C 42 95.653 13.434 -23.226 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.934 13.112 -22.708 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.817 14.109 -22.136 1.00 0.00 C ATOM 0 H THR C 42 95.288 11.526 -21.717 1.00 0.00 H new ATOM 0 HA THR C 42 93.931 12.383 -23.980 1.00 0.00 H new ATOM 0 HB THR C 42 95.760 14.115 -24.071 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.916 13.171 -21.730 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.316 15.021 -21.807 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.833 14.357 -22.534 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.706 13.431 -21.290 1.00 0.00 H new ATOM 1251 N ILE C 43 96.795 10.932 -24.683 1.00 0.00 N ATOM 1252 CA ILE C 43 97.564 10.351 -25.785 1.00 0.00 C ATOM 1253 C ILE C 43 96.755 9.259 -26.490 1.00 0.00 C ATOM 1254 O ILE C 43 96.665 9.243 -27.717 1.00 0.00 O ATOM 1255 CB ILE C 43 98.901 9.765 -25.269 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.855 10.902 -24.815 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.571 8.959 -26.392 1.00 0.00 C ATOM 1258 CD1 ILE C 43 99.622 11.233 -23.340 1.00 0.00 C ATOM 0 H ILE C 43 97.197 10.787 -23.757 1.00 0.00 H new ATOM 0 HA ILE C 43 97.781 11.145 -26.500 1.00 0.00 H new ATOM 0 HB ILE C 43 98.694 9.118 -24.417 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.891 10.599 -24.968 1.00 0.00 H new ATOM 0 HG13 ILE C 43 99.689 11.790 -25.425 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.513 8.545 -26.031 1.00 0.00 H new ATOM 0 HG22 ILE C 43 98.912 8.147 -26.700 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.764 9.612 -27.243 1.00 0.00 H new ATOM 0 HD11 ILE C 43 100.298 12.032 -23.035 1.00 0.00 H new ATOM 0 HD12 ILE C 43 98.591 11.556 -23.198 1.00 0.00 H new ATOM 0 HD13 ILE C 43 99.811 10.347 -22.734 1.00 0.00 H new ATOM 1270 N GLY C 44 96.195 8.361 -25.728 1.00 0.00 N ATOM 1271 CA GLY C 44 95.416 7.262 -26.297 1.00 0.00 C ATOM 1272 C GLY C 44 94.391 7.758 -27.314 1.00 0.00 C ATOM 1273 O GLY C 44 94.093 7.067 -28.289 1.00 0.00 O ATOM 0 H GLY C 44 96.255 8.356 -24.710 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.088 6.551 -26.777 1.00 0.00 H new ATOM 0 HA3 GLY C 44 94.904 6.727 -25.497 1.00 0.00 H new ATOM 1277 N HIS C 45 93.857 8.925 -27.089 1.00 0.00 N ATOM 1278 CA HIS C 45 92.862 9.492 -27.995 1.00 0.00 C ATOM 1279 C HIS C 45 93.337 9.456 -29.447 1.00 0.00 C ATOM 1280 O HIS C 45 92.523 9.419 -30.370 1.00 0.00 O ATOM 1281 CB HIS C 45 92.552 10.934 -27.597 1.00 0.00 C ATOM 1282 CG HIS C 45 91.476 11.478 -28.496 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.762 12.302 -29.574 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.111 11.322 -28.495 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.596 12.608 -30.172 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.558 12.037 -29.554 1.00 0.00 N ATOM 0 H HIS C 45 94.086 9.514 -26.288 1.00 0.00 H new ATOM 0 HA HIS C 45 91.961 8.884 -27.916 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.228 10.975 -26.557 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.451 11.546 -27.675 1.00 0.00 H new ATOM 0 HD2 HIS C 45 89.552 10.734 -27.782 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.510 13.238 -31.045 1.00 0.00 H new ATOM 0 HE2 HIS C 45 88.572 12.109 -29.804 1.00 0.00 H new ATOM 1295 N LEU C 46 94.629 9.509 -29.647 1.00 0.00 N ATOM 1296 CA LEU C 46 95.176 9.529 -30.997 1.00 0.00 C ATOM 1297 C LEU C 46 94.518 8.456 -31.870 1.00 0.00 C ATOM 1298 O LEU C 46 94.239 8.690 -33.042 1.00 0.00 O ATOM 1299 CB LEU C 46 96.708 9.339 -30.954 1.00 0.00 C ATOM 1300 CG LEU C 46 97.085 7.854 -30.715 1.00 0.00 C ATOM 1301 CD1 LEU C 46 97.225 7.090 -32.058 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.418 7.779 -29.945 1.00 0.00 C ATOM 0 H LEU C 46 95.326 9.539 -28.903 1.00 0.00 H new ATOM 0 HA LEU C 46 94.959 10.500 -31.443 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.145 9.681 -31.892 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.131 9.956 -30.161 1.00 0.00 H new ATOM 0 HG LEU C 46 96.289 7.388 -30.134 1.00 0.00 H new ATOM 0 HD11 LEU C 46 97.490 6.051 -31.860 1.00 0.00 H new ATOM 0 HD12 LEU C 46 96.279 7.127 -32.598 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.005 7.555 -32.661 1.00 0.00 H new ATOM 0 HD21 LEU C 46 98.683 6.735 -29.777 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.202 8.263 -30.527 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.313 8.286 -28.986 1.00 0.00 H new ATOM 1427 N ASP D 24 87.603 -2.367 8.446 1.00 0.00 N ATOM 1428 CA ASP D 24 88.280 -3.389 7.655 1.00 0.00 C ATOM 1429 C ASP D 24 89.047 -2.741 6.497 1.00 0.00 C ATOM 1430 O ASP D 24 88.659 -1.677 6.015 1.00 0.00 O ATOM 1431 CB ASP D 24 87.246 -4.380 7.105 1.00 0.00 C ATOM 1432 CG ASP D 24 86.005 -3.630 6.635 1.00 0.00 C ATOM 1433 OD1 ASP D 24 86.061 -2.413 6.575 1.00 0.00 O ATOM 1434 OD2 ASP D 24 85.017 -4.283 6.342 1.00 0.00 O ATOM 0 HA ASP D 24 88.989 -3.920 8.291 1.00 0.00 H new ATOM 0 HB2 ASP D 24 87.675 -4.944 6.277 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.975 -5.101 7.876 1.00 0.00 H new ATOM 1439 N PRO D 25 90.118 -3.351 6.038 1.00 0.00 N ATOM 1440 CA PRO D 25 90.929 -2.801 4.909 1.00 0.00 C ATOM 1441 C PRO D 25 90.206 -2.946 3.568 1.00 0.00 C ATOM 1442 O PRO D 25 90.795 -3.357 2.569 1.00 0.00 O ATOM 1443 CB PRO D 25 92.212 -3.643 4.953 1.00 0.00 C ATOM 1444 CG PRO D 25 91.780 -4.953 5.523 1.00 0.00 C ATOM 1445 CD PRO D 25 90.678 -4.625 6.534 1.00 0.00 C ATOM 0 HA PRO D 25 91.118 -1.732 5.007 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.641 -3.765 3.958 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.975 -3.172 5.573 1.00 0.00 H new ATOM 0 HG2 PRO D 25 91.409 -5.616 4.742 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.614 -5.464 6.005 1.00 0.00 H new ATOM 0 HD2 PRO D 25 89.921 -5.408 6.570 1.00 0.00 H new ATOM 0 HD3 PRO D 25 91.078 -4.521 7.543 1.00 0.00 H new ATOM 1453 N LEU D 26 88.946 -2.606 3.559 1.00 0.00 N ATOM 1454 CA LEU D 26 88.147 -2.695 2.341 1.00 0.00 C ATOM 1455 C LEU D 26 88.591 -1.633 1.338 1.00 0.00 C ATOM 1456 O LEU D 26 88.734 -1.909 0.147 1.00 0.00 O ATOM 1457 CB LEU D 26 86.661 -2.506 2.679 1.00 0.00 C ATOM 1458 CG LEU D 26 85.791 -2.666 1.420 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.895 -4.103 0.879 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.333 -2.357 1.783 1.00 0.00 C ATOM 0 H LEU D 26 88.439 -2.263 4.375 1.00 0.00 H new ATOM 0 HA LEU D 26 88.292 -3.679 1.896 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.359 -3.235 3.431 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.504 -1.518 3.112 1.00 0.00 H new ATOM 0 HG LEU D 26 86.139 -1.978 0.650 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.275 -4.202 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.932 -4.322 0.625 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.552 -4.804 1.640 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.706 -2.467 0.898 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.996 -3.049 2.555 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.259 -1.335 2.155 1.00 0.00 H new ATOM 1472 N VAL D 27 88.801 -0.440 1.823 1.00 0.00 N ATOM 1473 CA VAL D 27 89.228 0.663 0.970 1.00 0.00 C ATOM 1474 C VAL D 27 90.669 0.467 0.503 1.00 0.00 C ATOM 1475 O VAL D 27 91.009 0.772 -0.640 1.00 0.00 O ATOM 1476 CB VAL D 27 89.113 1.984 1.733 1.00 0.00 C ATOM 1477 CG1 VAL D 27 89.479 3.145 0.807 1.00 0.00 C ATOM 1478 CG2 VAL D 27 87.676 2.162 2.228 1.00 0.00 C ATOM 0 H VAL D 27 88.686 -0.195 2.806 1.00 0.00 H new ATOM 0 HA VAL D 27 88.580 0.687 0.094 1.00 0.00 H new ATOM 0 HB VAL D 27 89.794 1.971 2.584 1.00 0.00 H new ATOM 0 HG11 VAL D 27 89.396 4.085 1.352 1.00 0.00 H new ATOM 0 HG12 VAL D 27 90.502 3.019 0.453 1.00 0.00 H new ATOM 0 HG13 VAL D 27 88.799 3.159 -0.045 1.00 0.00 H new ATOM 0 HG21 VAL D 27 87.592 3.103 2.772 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.996 2.174 1.376 1.00 0.00 H new ATOM 0 HG23 VAL D 27 87.414 1.336 2.889 1.00 0.00 H new ATOM 1488 N VAL D 28 91.494 -0.031 1.382 1.00 0.00 N ATOM 1489 CA VAL D 28 92.899 -0.260 1.054 1.00 0.00 C ATOM 1490 C VAL D 28 93.036 -1.364 0.007 1.00 0.00 C ATOM 1491 O VAL D 28 93.762 -1.214 -0.976 1.00 0.00 O ATOM 1492 CB VAL D 28 93.674 -0.646 2.316 1.00 0.00 C ATOM 1493 CG1 VAL D 28 95.133 -0.926 1.953 1.00 0.00 C ATOM 1494 CG2 VAL D 28 93.608 0.504 3.327 1.00 0.00 C ATOM 0 H VAL D 28 91.231 -0.290 2.333 1.00 0.00 H new ATOM 0 HA VAL D 28 93.311 0.662 0.644 1.00 0.00 H new ATOM 0 HB VAL D 28 93.232 -1.541 2.755 1.00 0.00 H new ATOM 0 HG11 VAL D 28 95.685 -1.201 2.852 1.00 0.00 H new ATOM 0 HG12 VAL D 28 95.179 -1.744 1.234 1.00 0.00 H new ATOM 0 HG13 VAL D 28 95.577 -0.032 1.514 1.00 0.00 H new ATOM 0 HG21 VAL D 28 94.160 0.230 4.226 1.00 0.00 H new ATOM 0 HG22 VAL D 28 94.049 1.399 2.889 1.00 0.00 H new ATOM 0 HG23 VAL D 28 92.568 0.702 3.586 1.00 0.00 H new ATOM 1504 N ALA D 29 92.356 -2.453 0.228 1.00 0.00 N ATOM 1505 CA ALA D 29 92.413 -3.582 -0.695 1.00 0.00 C ATOM 1506 C ALA D 29 92.178 -3.126 -2.133 1.00 0.00 C ATOM 1507 O ALA D 29 92.753 -3.680 -3.071 1.00 0.00 O ATOM 1508 CB ALA D 29 91.356 -4.620 -0.312 1.00 0.00 C ATOM 0 H ALA D 29 91.751 -2.596 1.037 1.00 0.00 H new ATOM 0 HA ALA D 29 93.407 -4.025 -0.629 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.403 -5.460 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.544 -4.974 0.702 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.366 -4.166 -0.360 1.00 0.00 H new ATOM 1514 N ALA D 30 91.343 -2.138 -2.297 1.00 0.00 N ATOM 1515 CA ALA D 30 91.033 -1.618 -3.627 1.00 0.00 C ATOM 1516 C ALA D 30 92.236 -0.891 -4.229 1.00 0.00 C ATOM 1517 O ALA D 30 92.398 -0.850 -5.449 1.00 0.00 O ATOM 1518 CB ALA D 30 89.843 -0.662 -3.547 1.00 0.00 C ATOM 0 H ALA D 30 90.857 -1.667 -1.534 1.00 0.00 H new ATOM 0 HA ALA D 30 90.784 -2.461 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.617 -0.278 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.975 -1.194 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.087 0.168 -2.884 1.00 0.00 H new ATOM 1524 N SER D 31 93.050 -0.319 -3.385 1.00 0.00 N ATOM 1525 CA SER D 31 94.224 0.417 -3.849 1.00 0.00 C ATOM 1526 C SER D 31 95.129 -0.471 -4.703 1.00 0.00 C ATOM 1527 O SER D 31 95.634 -0.038 -5.739 1.00 0.00 O ATOM 1528 CB SER D 31 95.011 0.951 -2.652 1.00 0.00 C ATOM 1529 OG SER D 31 96.112 1.718 -3.120 1.00 0.00 O ATOM 0 H SER D 31 92.934 -0.340 -2.372 1.00 0.00 H new ATOM 0 HA SER D 31 93.880 1.250 -4.463 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.367 1.565 -2.023 1.00 0.00 H new ATOM 0 HB3 SER D 31 95.364 0.124 -2.036 1.00 0.00 H new ATOM 0 HG SER D 31 96.618 2.064 -2.355 1.00 0.00 H new ATOM 1535 N ILE D 32 95.329 -1.686 -4.273 1.00 0.00 N ATOM 1536 CA ILE D 32 96.179 -2.617 -5.012 1.00 0.00 C ATOM 1537 C ILE D 32 95.753 -2.682 -6.476 1.00 0.00 C ATOM 1538 O ILE D 32 96.583 -2.846 -7.368 1.00 0.00 O ATOM 1539 CB ILE D 32 96.088 -4.013 -4.388 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.236 -3.910 -2.863 1.00 0.00 C ATOM 1541 CG2 ILE D 32 97.201 -4.900 -4.950 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.483 -3.094 -2.506 1.00 0.00 C ATOM 0 H ILE D 32 94.922 -2.067 -3.419 1.00 0.00 H new ATOM 0 HA ILE D 32 97.208 -2.263 -4.960 1.00 0.00 H new ATOM 0 HB ILE D 32 95.119 -4.451 -4.628 1.00 0.00 H new ATOM 0 HG12 ILE D 32 95.350 -3.440 -2.435 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.309 -4.907 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE D 32 97.135 -5.893 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE D 32 97.092 -4.979 -6.032 1.00 0.00 H new ATOM 0 HG23 ILE D 32 98.170 -4.461 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE D 32 97.577 -3.028 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE D 32 98.367 -3.581 -2.918 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.394 -2.091 -2.924 1.00 0.00 H new ATOM 1554 N ILE D 33 94.480 -2.537 -6.707 1.00 0.00 N ATOM 1555 CA ILE D 33 93.952 -2.561 -8.066 1.00 0.00 C ATOM 1556 C ILE D 33 94.351 -1.283 -8.814 1.00 0.00 C ATOM 1557 O ILE D 33 94.491 -1.287 -10.037 1.00 0.00 O ATOM 1558 CB ILE D 33 92.419 -2.730 -8.041 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.068 -4.014 -7.248 1.00 0.00 C ATOM 1560 CG2 ILE D 33 91.884 -2.832 -9.483 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.654 -4.507 -7.592 1.00 0.00 C ATOM 0 H ILE D 33 93.777 -2.400 -5.980 1.00 0.00 H new ATOM 0 HA ILE D 33 94.379 -3.412 -8.596 1.00 0.00 H new ATOM 0 HB ILE D 33 91.958 -1.868 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.794 -4.795 -7.474 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.137 -3.815 -6.179 1.00 0.00 H new ATOM 0 HG21 ILE D 33 90.801 -2.951 -9.462 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.138 -1.924 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.334 -3.693 -9.978 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.434 -5.409 -7.021 1.00 0.00 H new ATOM 0 HD12 ILE D 33 89.928 -3.733 -7.342 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.595 -4.729 -8.658 1.00 0.00 H new ATOM 1573 N GLY D 34 94.521 -0.209 -8.085 1.00 0.00 N ATOM 1574 CA GLY D 34 94.887 1.072 -8.687 1.00 0.00 C ATOM 1575 C GLY D 34 96.278 1.034 -9.320 1.00 0.00 C ATOM 1576 O GLY D 34 96.463 1.487 -10.450 1.00 0.00 O ATOM 0 H GLY D 34 94.414 -0.185 -7.071 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.151 1.339 -9.446 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.857 1.852 -7.926 1.00 0.00 H new ATOM 1580 N ILE D 35 97.237 0.518 -8.602 1.00 0.00 N ATOM 1581 CA ILE D 35 98.602 0.450 -9.117 1.00 0.00 C ATOM 1582 C ILE D 35 98.662 -0.403 -10.382 1.00 0.00 C ATOM 1583 O ILE D 35 99.348 -0.056 -11.343 1.00 0.00 O ATOM 1584 CB ILE D 35 99.546 -0.120 -8.050 1.00 0.00 C ATOM 1585 CG1 ILE D 35 98.910 -1.353 -7.399 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.804 0.941 -6.977 1.00 0.00 C ATOM 1587 CD1 ILE D 35 99.909 -1.993 -6.433 1.00 0.00 C ATOM 0 H ILE D 35 97.114 0.137 -7.664 1.00 0.00 H new ATOM 0 HA ILE D 35 98.923 1.461 -9.368 1.00 0.00 H new ATOM 0 HB ILE D 35 100.487 -0.404 -8.520 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.003 -1.069 -6.865 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.617 -2.071 -8.165 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.475 0.536 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.261 1.818 -7.435 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.860 1.225 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.457 -2.870 -5.970 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.803 -2.292 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.180 -1.274 -5.660 1.00 0.00 H new ATOM 1599 N LEU D 36 97.964 -1.503 -10.372 1.00 0.00 N ATOM 1600 CA LEU D 36 97.960 -2.398 -11.524 1.00 0.00 C ATOM 1601 C LEU D 36 97.695 -1.612 -12.804 1.00 0.00 C ATOM 1602 O LEU D 36 98.175 -1.973 -13.877 1.00 0.00 O ATOM 1603 CB LEU D 36 96.891 -3.484 -11.347 1.00 0.00 C ATOM 1604 CG LEU D 36 97.182 -4.676 -12.284 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.220 -5.615 -11.655 1.00 0.00 C ATOM 1606 CD2 LEU D 36 95.892 -5.464 -12.527 1.00 0.00 C ATOM 0 H LEU D 36 97.388 -1.812 -9.589 1.00 0.00 H new ATOM 0 HA LEU D 36 98.938 -2.873 -11.598 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.874 -3.822 -10.311 1.00 0.00 H new ATOM 0 HB3 LEU D 36 95.905 -3.073 -11.565 1.00 0.00 H new ATOM 0 HG LEU D 36 97.571 -4.287 -13.225 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.412 -6.449 -12.330 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.147 -5.068 -11.481 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.839 -5.995 -10.707 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.099 -6.305 -13.189 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.508 -5.835 -11.577 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.150 -4.813 -12.989 1.00 0.00 H new ATOM 1618 N HIS D 37 96.925 -0.572 -12.698 1.00 0.00 N ATOM 1619 CA HIS D 37 96.602 0.233 -13.865 1.00 0.00 C ATOM 1620 C HIS D 37 97.839 0.927 -14.427 1.00 0.00 C ATOM 1621 O HIS D 37 98.018 0.986 -15.640 1.00 0.00 O ATOM 1622 CB HIS D 37 95.563 1.294 -13.499 1.00 0.00 C ATOM 1623 CG HIS D 37 94.378 0.638 -12.853 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.400 1.368 -12.197 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.000 -0.676 -12.749 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.488 0.496 -11.733 1.00 0.00 C ATOM 1627 NE2 HIS D 37 92.806 -0.763 -12.043 1.00 0.00 N ATOM 0 H HIS D 37 96.504 -0.252 -11.826 1.00 0.00 H new ATOM 0 HA HIS D 37 96.203 -0.439 -14.625 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.000 2.027 -12.821 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.250 1.834 -14.393 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.376 2.382 -12.086 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.547 -1.515 -13.154 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.606 0.779 -11.178 1.00 0.00 H new ATOM 1636 N PHE D 38 98.661 1.467 -13.565 1.00 0.00 N ATOM 1637 CA PHE D 38 99.856 2.186 -14.005 1.00 0.00 C ATOM 1638 C PHE D 38 100.878 1.284 -14.694 1.00 0.00 C ATOM 1639 O PHE D 38 101.363 1.616 -15.776 1.00 0.00 O ATOM 1640 CB PHE D 38 100.519 2.870 -12.810 1.00 0.00 C ATOM 1641 CG PHE D 38 101.699 3.679 -13.293 1.00 0.00 C ATOM 1642 CD1 PHE D 38 101.510 4.992 -13.742 1.00 0.00 C ATOM 1643 CD2 PHE D 38 102.981 3.117 -13.295 1.00 0.00 C ATOM 1644 CE1 PHE D 38 102.603 5.743 -14.191 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.075 3.867 -13.745 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.885 5.181 -14.192 1.00 0.00 C ATOM 0 H PHE D 38 98.536 1.430 -12.553 1.00 0.00 H new ATOM 0 HA PHE D 38 99.525 2.922 -14.738 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.803 3.516 -12.302 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.846 2.125 -12.085 1.00 0.00 H new ATOM 0 HD1 PHE D 38 100.521 5.425 -13.742 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.127 2.104 -12.949 1.00 0.00 H new ATOM 0 HE1 PHE D 38 102.457 6.756 -14.537 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.064 3.433 -13.747 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.728 5.761 -14.538 1.00 0.00 H new ATOM 1656 N ILE D 39 101.220 0.182 -14.084 1.00 0.00 N ATOM 1657 CA ILE D 39 102.211 -0.705 -14.687 1.00 0.00 C ATOM 1658 C ILE D 39 101.700 -1.242 -16.018 1.00 0.00 C ATOM 1659 O ILE D 39 102.464 -1.365 -16.975 1.00 0.00 O ATOM 1660 CB ILE D 39 102.566 -1.861 -13.739 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.340 -2.790 -13.525 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.021 -1.274 -12.398 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.390 -4.000 -14.477 1.00 0.00 C ATOM 0 H ILE D 39 100.844 -0.130 -13.189 1.00 0.00 H new ATOM 0 HA ILE D 39 103.118 -0.129 -14.868 1.00 0.00 H new ATOM 0 HB ILE D 39 103.367 -2.456 -14.177 1.00 0.00 H new ATOM 0 HG12 ILE D 39 101.318 -3.137 -12.492 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.421 -2.229 -13.693 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.276 -2.084 -11.714 1.00 0.00 H new ATOM 0 HG22 ILE D 39 103.895 -0.642 -12.555 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.215 -0.678 -11.970 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.520 -4.634 -14.306 1.00 0.00 H new ATOM 0 HD12 ILE D 39 101.387 -3.651 -15.510 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.298 -4.573 -14.290 1.00 0.00 H new ATOM 1675 N ALA D 40 100.433 -1.554 -16.080 1.00 0.00 N ATOM 1676 CA ALA D 40 99.858 -2.072 -17.313 1.00 0.00 C ATOM 1677 C ALA D 40 99.817 -0.980 -18.379 1.00 0.00 C ATOM 1678 O ALA D 40 100.094 -1.229 -19.552 1.00 0.00 O ATOM 1679 CB ALA D 40 98.442 -2.584 -17.049 1.00 0.00 C ATOM 0 H ALA D 40 99.777 -1.463 -15.304 1.00 0.00 H new ATOM 0 HA ALA D 40 100.480 -2.892 -17.671 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.016 -2.971 -17.975 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.476 -3.380 -16.305 1.00 0.00 H new ATOM 0 HB3 ALA D 40 97.823 -1.767 -16.678 1.00 0.00 H new ATOM 1685 N TRP D 41 99.469 0.208 -17.964 1.00 0.00 N ATOM 1686 CA TRP D 41 99.384 1.344 -18.877 1.00 0.00 C ATOM 1687 C TRP D 41 100.648 1.458 -19.713 1.00 0.00 C ATOM 1688 O TRP D 41 100.620 1.924 -20.851 1.00 0.00 O ATOM 1689 CB TRP D 41 99.199 2.635 -18.077 1.00 0.00 C ATOM 1690 CG TRP D 41 98.818 3.747 -18.993 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.644 4.347 -19.882 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.528 4.406 -19.119 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.936 5.329 -20.553 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.627 5.403 -20.115 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.293 4.232 -18.470 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.536 6.201 -20.456 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.194 5.035 -18.810 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.315 6.017 -19.801 1.00 0.00 C ATOM 0 H TRP D 41 99.236 0.427 -16.995 1.00 0.00 H new ATOM 0 HA TRP D 41 98.532 1.188 -19.539 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.428 2.496 -17.319 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.121 2.884 -17.552 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.683 4.100 -20.041 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.331 5.924 -21.281 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.190 3.476 -17.706 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.634 6.957 -21.221 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.250 4.895 -18.305 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.465 6.632 -20.059 1.00 0.00 H new ATOM 1709 N THR D 42 101.735 1.035 -19.146 1.00 0.00 N ATOM 1710 CA THR D 42 103.012 1.098 -19.835 1.00 0.00 C ATOM 1711 C THR D 42 103.061 0.106 -20.994 1.00 0.00 C ATOM 1712 O THR D 42 103.660 0.385 -22.032 1.00 0.00 O ATOM 1713 CB THR D 42 104.153 0.811 -18.848 1.00 0.00 C ATOM 1714 OG1 THR D 42 103.850 1.409 -17.597 1.00 0.00 O ATOM 1715 CG2 THR D 42 105.463 1.392 -19.383 1.00 0.00 C ATOM 0 H THR D 42 101.776 0.640 -18.207 1.00 0.00 H new ATOM 0 HA THR D 42 103.131 2.102 -20.243 1.00 0.00 H new ATOM 0 HB THR D 42 104.262 -0.267 -18.727 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.379 0.762 -17.031 1.00 0.00 H new ATOM 0 HG21 THR D 42 106.268 1.185 -18.678 1.00 0.00 H new ATOM 0 HG22 THR D 42 105.697 0.936 -20.345 1.00 0.00 H new ATOM 0 HG23 THR D 42 105.359 2.470 -19.508 1.00 0.00 H new ATOM 1723 N ILE D 43 102.450 -1.033 -20.818 1.00 0.00 N ATOM 1724 CA ILE D 43 102.452 -2.048 -21.865 1.00 0.00 C ATOM 1725 C ILE D 43 101.583 -1.618 -23.047 1.00 0.00 C ATOM 1726 O ILE D 43 102.032 -1.644 -24.190 1.00 0.00 O ATOM 1727 CB ILE D 43 101.947 -3.377 -21.294 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.777 -3.748 -20.059 1.00 0.00 C ATOM 1729 CG2 ILE D 43 102.094 -4.474 -22.349 1.00 0.00 C ATOM 1730 CD1 ILE D 43 102.147 -4.955 -19.360 1.00 0.00 C ATOM 0 H ILE D 43 101.945 -1.292 -19.971 1.00 0.00 H new ATOM 0 HA ILE D 43 103.473 -2.173 -22.225 1.00 0.00 H new ATOM 0 HB ILE D 43 100.898 -3.277 -21.015 1.00 0.00 H new ATOM 0 HG12 ILE D 43 103.801 -3.979 -20.353 1.00 0.00 H new ATOM 0 HG13 ILE D 43 102.825 -2.902 -19.373 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.735 -5.420 -21.943 1.00 0.00 H new ATOM 0 HG22 ILE D 43 101.509 -4.212 -23.230 1.00 0.00 H new ATOM 0 HG23 ILE D 43 103.143 -4.574 -22.627 1.00 0.00 H new ATOM 0 HD11 ILE D 43 102.738 -5.217 -18.483 1.00 0.00 H new ATOM 0 HD12 ILE D 43 101.131 -4.708 -19.052 1.00 0.00 H new ATOM 0 HD13 ILE D 43 102.122 -5.801 -20.047 1.00 0.00 H new ATOM 1742 N GLY D 44 100.363 -1.233 -22.772 1.00 0.00 N ATOM 1743 CA GLY D 44 99.437 -0.801 -23.821 1.00 0.00 C ATOM 1744 C GLY D 44 99.982 0.403 -24.579 1.00 0.00 C ATOM 1745 O GLY D 44 99.654 0.623 -25.746 1.00 0.00 O ATOM 0 H GLY D 44 99.974 -1.205 -21.830 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.263 -1.622 -24.516 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.474 -0.549 -23.378 1.00 0.00 H new ATOM 1749 N HIS D 45 100.782 1.170 -23.910 1.00 0.00 N ATOM 1750 CA HIS D 45 101.376 2.367 -24.490 1.00 0.00 C ATOM 1751 C HIS D 45 102.162 2.077 -25.782 1.00 0.00 C ATOM 1752 O HIS D 45 102.329 2.963 -26.609 1.00 0.00 O ATOM 1753 CB HIS D 45 102.298 3.026 -23.461 1.00 0.00 C ATOM 1754 CG HIS D 45 102.745 4.378 -23.949 1.00 0.00 C ATOM 1755 ND1 HIS D 45 103.937 4.948 -23.528 1.00 0.00 N ATOM 1756 CD2 HIS D 45 102.180 5.288 -24.812 1.00 0.00 C ATOM 1757 CE1 HIS D 45 104.051 6.144 -24.134 1.00 0.00 C ATOM 1758 NE2 HIS D 45 103.007 6.400 -24.926 1.00 0.00 N ATOM 0 H HIS D 45 101.053 0.997 -22.942 1.00 0.00 H new ATOM 0 HA HIS D 45 100.560 3.038 -24.758 1.00 0.00 H new ATOM 0 HB2 HIS D 45 101.777 3.130 -22.509 1.00 0.00 H new ATOM 0 HB3 HIS D 45 103.166 2.392 -23.282 1.00 0.00 H new ATOM 0 HD2 HIS D 45 101.238 5.159 -25.323 1.00 0.00 H new ATOM 0 HE1 HIS D 45 104.886 6.815 -23.996 1.00 0.00 H new ATOM 0 HE2 HIS D 45 102.850 7.233 -25.493 1.00 0.00 H new ATOM 1767 N LEU D 46 102.667 0.881 -25.935 1.00 0.00 N ATOM 1768 CA LEU D 46 103.468 0.538 -27.105 1.00 0.00 C ATOM 1769 C LEU D 46 102.852 0.981 -28.439 1.00 0.00 C ATOM 1770 O LEU D 46 103.578 1.161 -29.415 1.00 0.00 O ATOM 1771 CB LEU D 46 103.820 -0.965 -27.083 1.00 0.00 C ATOM 1772 CG LEU D 46 102.688 -1.917 -27.580 1.00 0.00 C ATOM 1773 CD1 LEU D 46 101.282 -1.481 -27.147 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.730 -2.091 -29.114 1.00 0.00 C ATOM 0 H LEU D 46 102.543 0.119 -25.268 1.00 0.00 H new ATOM 0 HA LEU D 46 104.392 1.113 -27.037 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.704 -1.124 -27.700 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.088 -1.245 -26.064 1.00 0.00 H new ATOM 0 HG LEU D 46 102.888 -2.874 -27.099 1.00 0.00 H new ATOM 0 HD11 LEU D 46 100.547 -2.190 -27.529 1.00 0.00 H new ATOM 0 HD12 LEU D 46 101.229 -1.454 -26.059 1.00 0.00 H new ATOM 0 HD13 LEU D 46 101.070 -0.489 -27.546 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.928 -2.760 -29.426 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.601 -1.121 -29.594 1.00 0.00 H new ATOM 0 HD23 LEU D 46 103.691 -2.515 -29.406 1.00 0.00 H new