USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=11 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 HE2:sc= -0.13 K(o=-0.22,f=-3.6!) USER MOD Set 1.2: B 48 GLN :FLIP amide:sc= -0.0861 F(o=-1.7,f=-0.22) USER MOD Set 2.1: B 37 HIS : no HD1:sc= -5.07! C(o=-20!,f=-31!) USER MOD Set 2.2: C 37 HIS : no HD1:sc= -14.5! C(o=-20!,f=-24!) USER MOD Set 3.1: A 37 HIS : no HD1:sc= -19.1! C(o=-31!,f=-40!) USER MOD Set 3.2: D 37 HIS : no HE2:sc= -12! C(o=-31!,f=-39!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -82:sc= 0.811 USER MOD Single : A 45 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot -82:sc= -0.301 USER MOD Single : B 47 ASN : amide:sc=-5.27e-05 K(o=-5.3e-05,f=-0.61) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot 180:sc= 0 USER MOD Single : C 45 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.00075) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -87:sc= -0.608 USER MOD Single : D 45 HIS : no HD1:sc= -0.0407 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 77.642 2.207 1.631 1.00 0.00 N ATOM 24 CA PRO A 25 78.051 1.457 0.406 1.00 0.00 C ATOM 25 C PRO A 25 78.533 2.392 -0.705 1.00 0.00 C ATOM 26 O PRO A 25 78.831 1.952 -1.815 1.00 0.00 O ATOM 27 CB PRO A 25 76.763 0.733 0.002 1.00 0.00 C ATOM 28 CG PRO A 25 75.666 1.646 0.450 1.00 0.00 C ATOM 29 CD PRO A 25 76.174 2.331 1.725 1.00 0.00 C ATOM 0 HA PRO A 25 78.890 0.785 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.724 0.563 -1.074 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.689 -0.243 0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.432 2.381 -0.320 1.00 0.00 H new ATOM 0 HG3 PRO A 25 74.751 1.088 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 25 75.863 3.375 1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 25 75.788 1.845 2.621 1.00 0.00 H new ATOM 37 N LEU A 26 78.596 3.660 -0.402 1.00 0.00 N ATOM 38 CA LEU A 26 79.029 4.653 -1.381 1.00 0.00 C ATOM 39 C LEU A 26 80.502 4.459 -1.745 1.00 0.00 C ATOM 40 O LEU A 26 80.863 4.449 -2.922 1.00 0.00 O ATOM 41 CB LEU A 26 78.819 6.062 -0.807 1.00 0.00 C ATOM 42 CG LEU A 26 79.120 7.133 -1.869 1.00 0.00 C ATOM 43 CD1 LEU A 26 78.067 7.090 -2.993 1.00 0.00 C ATOM 44 CD2 LEU A 26 79.102 8.514 -1.201 1.00 0.00 C ATOM 0 H LEU A 26 78.355 4.043 0.512 1.00 0.00 H new ATOM 0 HA LEU A 26 78.434 4.529 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.792 6.168 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.467 6.208 0.057 1.00 0.00 H new ATOM 0 HG LEU A 26 80.100 6.939 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 26 78.296 7.855 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 26 78.080 6.108 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 26 77.079 7.277 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 26 79.314 9.281 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 78.120 8.694 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.859 8.549 -0.418 1.00 0.00 H new ATOM 56 N VAL A 27 81.333 4.323 -0.747 1.00 0.00 N ATOM 57 CA VAL A 27 82.766 4.148 -0.974 1.00 0.00 C ATOM 58 C VAL A 27 83.077 2.777 -1.574 1.00 0.00 C ATOM 59 O VAL A 27 83.985 2.643 -2.396 1.00 0.00 O ATOM 60 CB VAL A 27 83.523 4.307 0.346 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.128 3.179 1.302 1.00 0.00 C ATOM 62 CG2 VAL A 27 85.029 4.246 0.079 1.00 0.00 C ATOM 0 H VAL A 27 81.056 4.328 0.235 1.00 0.00 H new ATOM 0 HA VAL A 27 83.086 4.911 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 27 83.271 5.267 0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 27 83.668 3.293 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.056 3.222 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.379 2.218 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.570 4.359 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.280 3.285 -0.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.311 5.050 -0.601 1.00 0.00 H new ATOM 72 N VAL A 28 82.338 1.783 -1.167 1.00 0.00 N ATOM 73 CA VAL A 28 82.553 0.430 -1.675 1.00 0.00 C ATOM 74 C VAL A 28 82.123 0.328 -3.136 1.00 0.00 C ATOM 75 O VAL A 28 82.814 -0.278 -3.958 1.00 0.00 O ATOM 76 CB VAL A 28 81.774 -0.580 -0.830 1.00 0.00 C ATOM 77 CG1 VAL A 28 82.112 -1.999 -1.291 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.161 -0.415 0.641 1.00 0.00 C ATOM 0 H VAL A 28 81.581 1.869 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 28 83.617 0.204 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 28 80.704 -0.406 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.557 -2.719 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.839 -2.116 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 28 83.181 -2.175 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.607 -1.133 1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.230 -0.590 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 28 81.921 0.596 0.969 1.00 0.00 H new ATOM 88 N ALA A 29 80.993 0.901 -3.441 1.00 0.00 N ATOM 89 CA ALA A 29 80.464 0.860 -4.801 1.00 0.00 C ATOM 90 C ALA A 29 81.533 1.263 -5.817 1.00 0.00 C ATOM 91 O ALA A 29 81.582 0.725 -6.923 1.00 0.00 O ATOM 92 CB ALA A 29 79.263 1.799 -4.923 1.00 0.00 C ATOM 0 H ALA A 29 80.410 1.406 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 29 80.152 -0.163 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.874 1.762 -5.941 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.485 1.487 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.572 2.818 -4.689 1.00 0.00 H new ATOM 98 N ALA A 30 82.369 2.194 -5.446 1.00 0.00 N ATOM 99 CA ALA A 30 83.427 2.659 -6.339 1.00 0.00 C ATOM 100 C ALA A 30 84.408 1.532 -6.662 1.00 0.00 C ATOM 101 O ALA A 30 84.937 1.457 -7.771 1.00 0.00 O ATOM 102 CB ALA A 30 84.184 3.818 -5.688 1.00 0.00 C ATOM 0 H ALA A 30 82.349 2.653 -4.535 1.00 0.00 H new ATOM 0 HA ALA A 30 82.964 2.994 -7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.972 4.160 -6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.494 4.638 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.627 3.482 -4.750 1.00 0.00 H new ATOM 108 N SER A 31 84.647 0.684 -5.702 1.00 0.00 N ATOM 109 CA SER A 31 85.576 -0.429 -5.885 1.00 0.00 C ATOM 110 C SER A 31 85.106 -1.361 -7.002 1.00 0.00 C ATOM 111 O SER A 31 85.909 -1.828 -7.809 1.00 0.00 O ATOM 112 CB SER A 31 85.705 -1.218 -4.581 1.00 0.00 C ATOM 113 OG SER A 31 86.639 -2.274 -4.763 1.00 0.00 O ATOM 0 H SER A 31 84.218 0.730 -4.778 1.00 0.00 H new ATOM 0 HA SER A 31 86.546 -0.018 -6.164 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.033 -0.561 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.735 -1.621 -4.288 1.00 0.00 H new ATOM 0 HG SER A 31 86.726 -2.781 -3.929 1.00 0.00 H new ATOM 119 N ILE A 32 83.831 -1.628 -7.036 1.00 0.00 N ATOM 120 CA ILE A 32 83.267 -2.515 -8.051 1.00 0.00 C ATOM 121 C ILE A 32 83.607 -2.027 -9.459 1.00 0.00 C ATOM 122 O ILE A 32 83.725 -2.823 -10.390 1.00 0.00 O ATOM 123 CB ILE A 32 81.746 -2.584 -7.894 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.385 -2.826 -6.422 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.191 -3.723 -8.752 1.00 0.00 C ATOM 126 CD1 ILE A 32 82.157 -4.034 -5.877 1.00 0.00 C ATOM 0 H ILE A 32 83.150 -1.250 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 32 83.700 -3.506 -7.912 1.00 0.00 H new ATOM 0 HB ILE A 32 81.310 -1.640 -8.220 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.619 -1.940 -5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 32 80.313 -2.998 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.108 -3.770 -8.638 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.439 -3.544 -9.798 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.631 -4.668 -8.431 1.00 0.00 H new ATOM 0 HD11 ILE A 32 81.891 -4.194 -4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 32 81.901 -4.921 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 32 83.228 -3.846 -5.954 1.00 0.00 H new ATOM 138 N ILE A 33 83.757 -0.740 -9.605 1.00 0.00 N ATOM 139 CA ILE A 33 84.075 -0.159 -10.907 1.00 0.00 C ATOM 140 C ILE A 33 85.509 -0.510 -11.312 1.00 0.00 C ATOM 141 O ILE A 33 85.810 -0.653 -12.497 1.00 0.00 O ATOM 142 CB ILE A 33 83.895 1.372 -10.865 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.464 1.706 -10.390 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.127 1.966 -12.268 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.119 3.169 -10.700 1.00 0.00 C ATOM 0 H ILE A 33 83.667 -0.063 -8.848 1.00 0.00 H new ATOM 0 HA ILE A 33 83.392 -0.574 -11.648 1.00 0.00 H new ATOM 0 HB ILE A 33 84.619 1.802 -10.173 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.749 1.046 -10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.380 1.526 -9.318 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.998 3.048 -12.231 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.139 1.732 -12.599 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.408 1.539 -12.967 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.107 3.385 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.823 3.825 -10.188 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.182 3.338 -11.775 1.00 0.00 H new ATOM 157 N GLY A 34 86.373 -0.625 -10.344 1.00 0.00 N ATOM 158 CA GLY A 34 87.774 -0.934 -10.613 1.00 0.00 C ATOM 159 C GLY A 34 87.949 -2.284 -11.307 1.00 0.00 C ATOM 160 O GLY A 34 88.779 -2.423 -12.204 1.00 0.00 O ATOM 0 H GLY A 34 86.145 -0.512 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.203 -0.150 -11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.330 -0.936 -9.675 1.00 0.00 H new ATOM 164 N ILE A 35 87.191 -3.258 -10.893 1.00 0.00 N ATOM 165 CA ILE A 35 87.293 -4.589 -11.486 1.00 0.00 C ATOM 166 C ILE A 35 86.756 -4.592 -12.917 1.00 0.00 C ATOM 167 O ILE A 35 87.192 -5.386 -13.750 1.00 0.00 O ATOM 168 CB ILE A 35 86.512 -5.602 -10.645 1.00 0.00 C ATOM 169 CG1 ILE A 35 86.874 -5.432 -9.167 1.00 0.00 C ATOM 170 CG2 ILE A 35 86.880 -7.019 -11.092 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.045 -6.403 -8.324 1.00 0.00 C ATOM 0 H ILE A 35 86.495 -3.171 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 35 88.346 -4.869 -11.508 1.00 0.00 H new ATOM 0 HB ILE A 35 85.443 -5.436 -10.779 1.00 0.00 H new ATOM 0 HG12 ILE A 35 87.937 -5.621 -9.018 1.00 0.00 H new ATOM 0 HG13 ILE A 35 86.685 -4.406 -8.851 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.326 -7.744 -10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.627 -7.146 -12.145 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.950 -7.178 -10.954 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.302 -6.282 -7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 35 84.985 -6.193 -8.465 1.00 0.00 H new ATOM 0 HD13 ILE A 35 86.257 -7.426 -8.634 1.00 0.00 H new ATOM 183 N LEU A 36 85.813 -3.731 -13.184 1.00 0.00 N ATOM 184 CA LEU A 36 85.207 -3.658 -14.511 1.00 0.00 C ATOM 185 C LEU A 36 86.250 -3.318 -15.582 1.00 0.00 C ATOM 186 O LEU A 36 86.300 -3.956 -16.630 1.00 0.00 O ATOM 187 CB LEU A 36 84.081 -2.604 -14.503 1.00 0.00 C ATOM 188 CG LEU A 36 82.958 -2.993 -15.479 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.804 -1.997 -15.340 1.00 0.00 C ATOM 190 CD2 LEU A 36 83.485 -2.972 -16.921 1.00 0.00 C ATOM 0 H LEU A 36 85.438 -3.064 -12.509 1.00 0.00 H new ATOM 0 HA LEU A 36 84.790 -4.635 -14.757 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.676 -2.507 -13.496 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.487 -1.631 -14.779 1.00 0.00 H new ATOM 0 HG LEU A 36 82.608 -3.998 -15.245 1.00 0.00 H new ATOM 0 HD11 LEU A 36 81.005 -2.268 -16.030 1.00 0.00 H new ATOM 0 HD12 LEU A 36 81.425 -2.020 -14.318 1.00 0.00 H new ATOM 0 HD13 LEU A 36 82.160 -0.993 -15.573 1.00 0.00 H new ATOM 0 HD21 LEU A 36 82.683 -3.249 -17.605 1.00 0.00 H new ATOM 0 HD22 LEU A 36 83.840 -1.971 -17.164 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.306 -3.682 -17.019 1.00 0.00 H new ATOM 202 N HIS A 37 87.056 -2.325 -15.340 1.00 0.00 N ATOM 203 CA HIS A 37 88.062 -1.937 -16.325 1.00 0.00 C ATOM 204 C HIS A 37 89.052 -3.073 -16.591 1.00 0.00 C ATOM 205 O HIS A 37 89.623 -3.160 -17.678 1.00 0.00 O ATOM 206 CB HIS A 37 88.812 -0.679 -15.870 1.00 0.00 C ATOM 207 CG HIS A 37 89.644 -0.976 -14.654 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.506 -2.059 -14.587 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.762 -0.329 -13.451 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.097 -2.033 -13.378 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.677 -0.999 -12.645 1.00 0.00 N ATOM 0 H HIS A 37 87.049 -1.767 -14.486 1.00 0.00 H new ATOM 0 HA HIS A 37 87.540 -1.718 -17.256 1.00 0.00 H new ATOM 0 HB2 HIS A 37 89.451 -0.317 -16.676 1.00 0.00 H new ATOM 0 HB3 HIS A 37 88.100 0.116 -15.646 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.226 0.566 -13.171 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.822 -2.759 -13.042 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.965 -0.753 -11.698 1.00 0.00 H new ATOM 220 N PHE A 38 89.269 -3.912 -15.613 1.00 0.00 N ATOM 221 CA PHE A 38 90.214 -5.019 -15.758 1.00 0.00 C ATOM 222 C PHE A 38 89.814 -5.982 -16.876 1.00 0.00 C ATOM 223 O PHE A 38 90.651 -6.356 -17.697 1.00 0.00 O ATOM 224 CB PHE A 38 90.310 -5.785 -14.437 1.00 0.00 C ATOM 225 CG PHE A 38 91.331 -6.889 -14.560 1.00 0.00 C ATOM 226 CD1 PHE A 38 90.950 -8.141 -15.056 1.00 0.00 C ATOM 227 CD2 PHE A 38 92.658 -6.664 -14.172 1.00 0.00 C ATOM 228 CE1 PHE A 38 91.895 -9.168 -15.165 1.00 0.00 C ATOM 229 CE2 PHE A 38 93.603 -7.691 -14.281 1.00 0.00 C ATOM 230 CZ PHE A 38 93.221 -8.943 -14.778 1.00 0.00 C ATOM 0 H PHE A 38 88.811 -3.861 -14.703 1.00 0.00 H new ATOM 0 HA PHE A 38 91.181 -4.591 -16.023 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.590 -5.106 -13.632 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.338 -6.204 -14.177 1.00 0.00 H new ATOM 0 HD1 PHE A 38 89.927 -8.315 -15.355 1.00 0.00 H new ATOM 0 HD2 PHE A 38 92.952 -5.698 -13.789 1.00 0.00 H new ATOM 0 HE1 PHE A 38 91.601 -10.134 -15.548 1.00 0.00 H new ATOM 0 HE2 PHE A 38 94.626 -7.518 -13.982 1.00 0.00 H new ATOM 0 HZ PHE A 38 93.950 -9.735 -14.863 1.00 0.00 H new ATOM 240 N ILE A 39 88.575 -6.396 -16.901 1.00 0.00 N ATOM 241 CA ILE A 39 88.138 -7.335 -17.930 1.00 0.00 C ATOM 242 C ILE A 39 88.269 -6.723 -19.325 1.00 0.00 C ATOM 243 O ILE A 39 88.679 -7.402 -20.264 1.00 0.00 O ATOM 244 CB ILE A 39 86.694 -7.789 -17.682 1.00 0.00 C ATOM 245 CG1 ILE A 39 85.825 -6.586 -17.328 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.661 -8.791 -16.525 1.00 0.00 C ATOM 247 CD1 ILE A 39 84.351 -6.991 -17.367 1.00 0.00 C ATOM 0 H ILE A 39 87.853 -6.111 -16.239 1.00 0.00 H new ATOM 0 HA ILE A 39 88.788 -8.208 -17.876 1.00 0.00 H new ATOM 0 HB ILE A 39 86.310 -8.260 -18.587 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.085 -6.216 -16.336 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.008 -5.773 -18.030 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.634 -9.112 -16.351 1.00 0.00 H new ATOM 0 HG22 ILE A 39 87.274 -9.657 -16.776 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.051 -8.319 -15.623 1.00 0.00 H new ATOM 0 HD11 ILE A 39 83.731 -6.131 -17.114 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.096 -7.341 -18.367 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.174 -7.790 -16.647 1.00 0.00 H new ATOM 259 N ALA A 40 87.930 -5.470 -19.462 1.00 0.00 N ATOM 260 CA ALA A 40 88.028 -4.811 -20.760 1.00 0.00 C ATOM 261 C ALA A 40 89.491 -4.607 -21.153 1.00 0.00 C ATOM 262 O ALA A 40 89.860 -4.758 -22.318 1.00 0.00 O ATOM 263 CB ALA A 40 87.314 -3.460 -20.714 1.00 0.00 C ATOM 0 H ALA A 40 87.585 -4.879 -18.705 1.00 0.00 H new ATOM 0 HA ALA A 40 87.552 -5.448 -21.506 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.392 -2.974 -21.687 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.263 -3.612 -20.467 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.777 -2.829 -19.955 1.00 0.00 H new ATOM 269 N TRP A 41 90.299 -4.255 -20.190 1.00 0.00 N ATOM 270 CA TRP A 41 91.722 -4.012 -20.427 1.00 0.00 C ATOM 271 C TRP A 41 92.349 -5.158 -21.218 1.00 0.00 C ATOM 272 O TRP A 41 93.280 -4.950 -21.997 1.00 0.00 O ATOM 273 CB TRP A 41 92.440 -3.865 -19.079 1.00 0.00 C ATOM 274 CG TRP A 41 93.833 -3.351 -19.279 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.845 -4.043 -19.854 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.391 -2.060 -18.893 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.982 -3.253 -19.861 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.753 -2.024 -19.277 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.853 -0.925 -18.258 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.552 -0.905 -19.039 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.657 0.202 -18.014 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.004 0.211 -18.405 1.00 0.00 C ATOM 0 H TRP A 41 90.006 -4.126 -19.221 1.00 0.00 H new ATOM 0 HA TRP A 41 91.827 -3.097 -21.010 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.883 -3.183 -18.436 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.471 -4.828 -18.570 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.776 -5.048 -20.244 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.879 -3.544 -20.250 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.816 -0.920 -17.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.588 -0.903 -19.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.235 1.066 -17.523 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.616 1.080 -18.216 1.00 0.00 H new ATOM 293 N THR A 42 91.835 -6.341 -21.030 1.00 0.00 N ATOM 294 CA THR A 42 92.358 -7.508 -21.741 1.00 0.00 C ATOM 295 C THR A 42 92.150 -7.372 -23.249 1.00 0.00 C ATOM 296 O THR A 42 92.941 -7.886 -24.039 1.00 0.00 O ATOM 297 CB THR A 42 91.678 -8.788 -21.247 1.00 0.00 C ATOM 298 OG1 THR A 42 90.274 -8.679 -21.424 1.00 0.00 O ATOM 299 CG2 THR A 42 91.996 -9.002 -19.765 1.00 0.00 C ATOM 0 H THR A 42 91.059 -6.538 -20.398 1.00 0.00 H new ATOM 0 HA THR A 42 93.427 -7.566 -21.538 1.00 0.00 H new ATOM 0 HB THR A 42 92.049 -9.638 -21.820 1.00 0.00 H new ATOM 0 HG1 THR A 42 89.889 -8.170 -20.680 1.00 0.00 H new ATOM 0 HG21 THR A 42 91.511 -9.914 -19.417 1.00 0.00 H new ATOM 0 HG22 THR A 42 93.074 -9.092 -19.634 1.00 0.00 H new ATOM 0 HG23 THR A 42 91.630 -8.153 -19.188 1.00 0.00 H new ATOM 307 N ILE A 43 91.100 -6.698 -23.637 1.00 0.00 N ATOM 308 CA ILE A 43 90.808 -6.517 -25.057 1.00 0.00 C ATOM 309 C ILE A 43 91.953 -5.793 -25.764 1.00 0.00 C ATOM 310 O ILE A 43 92.422 -6.230 -26.815 1.00 0.00 O ATOM 311 CB ILE A 43 89.516 -5.718 -25.229 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.368 -6.449 -24.528 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.192 -5.580 -26.718 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.138 -5.542 -24.482 1.00 0.00 C ATOM 0 H ILE A 43 90.429 -6.263 -23.004 1.00 0.00 H new ATOM 0 HA ILE A 43 90.690 -7.503 -25.506 1.00 0.00 H new ATOM 0 HB ILE A 43 89.643 -4.728 -24.791 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.133 -7.372 -25.058 1.00 0.00 H new ATOM 0 HG13 ILE A 43 88.665 -6.729 -23.517 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.271 -5.010 -26.839 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.008 -5.061 -27.221 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.066 -6.570 -27.156 1.00 0.00 H new ATOM 0 HD11 ILE A 43 86.321 -6.062 -23.983 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.378 -4.632 -23.933 1.00 0.00 H new ATOM 0 HD13 ILE A 43 86.838 -5.284 -25.498 1.00 0.00 H new ATOM 326 N GLY A 44 92.381 -4.699 -25.196 1.00 0.00 N ATOM 327 CA GLY A 44 93.461 -3.909 -25.782 1.00 0.00 C ATOM 328 C GLY A 44 94.658 -4.779 -26.149 1.00 0.00 C ATOM 329 O GLY A 44 95.403 -4.461 -27.078 1.00 0.00 O ATOM 0 H GLY A 44 92.006 -4.323 -24.325 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.096 -3.397 -26.672 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.773 -3.139 -25.077 1.00 0.00 H new ATOM 333 N HIS A 45 94.842 -5.853 -25.433 1.00 0.00 N ATOM 334 CA HIS A 45 95.954 -6.756 -25.688 1.00 0.00 C ATOM 335 C HIS A 45 96.030 -7.123 -27.172 1.00 0.00 C ATOM 336 O HIS A 45 97.101 -7.453 -27.686 1.00 0.00 O ATOM 337 CB HIS A 45 95.792 -8.013 -24.827 1.00 0.00 C ATOM 338 CG HIS A 45 97.135 -8.651 -24.587 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.379 -9.993 -24.837 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.315 -8.138 -24.112 1.00 0.00 C ATOM 341 CE1 HIS A 45 98.664 -10.237 -24.514 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.279 -9.139 -24.067 1.00 0.00 N ATOM 0 H HIS A 45 94.238 -6.135 -24.661 1.00 0.00 H new ATOM 0 HA HIS A 45 96.886 -6.257 -25.424 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.328 -7.754 -23.875 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.128 -8.720 -25.323 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.472 -7.111 -23.817 1.00 0.00 H new ATOM 0 HE1 HIS A 45 99.139 -11.203 -24.605 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.248 -9.053 -23.759 1.00 0.00 H new ATOM 495 N PRO B 25 83.200 15.901 0.947 1.00 0.00 N ATOM 496 CA PRO B 25 82.930 15.505 -0.469 1.00 0.00 C ATOM 497 C PRO B 25 84.210 15.084 -1.194 1.00 0.00 C ATOM 498 O PRO B 25 84.227 14.938 -2.417 1.00 0.00 O ATOM 499 CB PRO B 25 82.326 16.777 -1.086 1.00 0.00 C ATOM 500 CG PRO B 25 82.892 17.900 -0.276 1.00 0.00 C ATOM 501 CD PRO B 25 83.058 17.355 1.145 1.00 0.00 C ATOM 0 HA PRO B 25 82.270 14.641 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.595 16.873 -2.138 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.237 16.763 -1.036 1.00 0.00 H new ATOM 0 HG2 PRO B 25 83.849 18.230 -0.681 1.00 0.00 H new ATOM 0 HG3 PRO B 25 82.226 18.763 -0.287 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.933 17.780 1.637 1.00 0.00 H new ATOM 0 HD3 PRO B 25 82.196 17.592 1.768 1.00 0.00 H new ATOM 509 N LEU B 26 85.257 14.896 -0.439 1.00 0.00 N ATOM 510 CA LEU B 26 86.541 14.495 -1.004 1.00 0.00 C ATOM 511 C LEU B 26 86.493 13.052 -1.506 1.00 0.00 C ATOM 512 O LEU B 26 86.954 12.752 -2.608 1.00 0.00 O ATOM 513 CB LEU B 26 87.636 14.645 0.063 1.00 0.00 C ATOM 514 CG LEU B 26 88.981 14.116 -0.459 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.345 14.805 -1.782 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.066 14.408 0.585 1.00 0.00 C ATOM 0 H LEU B 26 85.258 15.011 0.574 1.00 0.00 H new ATOM 0 HA LEU B 26 86.765 15.140 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.736 15.694 0.343 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.350 14.101 0.963 1.00 0.00 H new ATOM 0 HG LEU B 26 88.905 13.043 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.300 14.421 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.571 14.603 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.423 15.880 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.026 14.037 0.226 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.132 15.483 0.751 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.813 13.911 1.522 1.00 0.00 H new ATOM 528 N VAL B 27 85.949 12.179 -0.702 1.00 0.00 N ATOM 529 CA VAL B 27 85.851 10.767 -1.063 1.00 0.00 C ATOM 530 C VAL B 27 84.834 10.549 -2.182 1.00 0.00 C ATOM 531 O VAL B 27 85.047 9.731 -3.078 1.00 0.00 O ATOM 532 CB VAL B 27 85.442 9.949 0.164 1.00 0.00 C ATOM 533 CG1 VAL B 27 85.267 8.482 -0.233 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.532 10.062 1.233 1.00 0.00 C ATOM 0 H VAL B 27 85.562 12.409 0.213 1.00 0.00 H new ATOM 0 HA VAL B 27 86.828 10.440 -1.420 1.00 0.00 H new ATOM 0 HB VAL B 27 84.501 10.331 0.559 1.00 0.00 H new ATOM 0 HG11 VAL B 27 84.976 7.901 0.642 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.493 8.401 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL B 27 86.207 8.097 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL B 27 86.244 9.481 2.109 1.00 0.00 H new ATOM 0 HG22 VAL B 27 87.472 9.679 0.836 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.657 11.107 1.516 1.00 0.00 H new ATOM 544 N VAL B 28 83.752 11.273 -2.124 1.00 0.00 N ATOM 545 CA VAL B 28 82.712 11.151 -3.139 1.00 0.00 C ATOM 546 C VAL B 28 83.193 11.728 -4.467 1.00 0.00 C ATOM 547 O VAL B 28 83.013 11.120 -5.522 1.00 0.00 O ATOM 548 CB VAL B 28 81.444 11.872 -2.682 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.292 11.531 -3.631 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.088 11.425 -1.260 1.00 0.00 C ATOM 0 H VAL B 28 83.556 11.956 -1.392 1.00 0.00 H new ATOM 0 HA VAL B 28 82.487 10.094 -3.280 1.00 0.00 H new ATOM 0 HB VAL B 28 81.613 12.949 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.388 12.045 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL B 28 80.547 11.850 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.120 10.455 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.184 11.938 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.918 10.348 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL B 28 81.909 11.670 -0.586 1.00 0.00 H new ATOM 560 N ALA B 29 83.787 12.887 -4.404 1.00 0.00 N ATOM 561 CA ALA B 29 84.283 13.547 -5.608 1.00 0.00 C ATOM 562 C ALA B 29 85.122 12.583 -6.444 1.00 0.00 C ATOM 563 O ALA B 29 85.096 12.633 -7.675 1.00 0.00 O ATOM 564 CB ALA B 29 85.128 14.764 -5.225 1.00 0.00 C ATOM 0 H ALA B 29 83.946 13.404 -3.539 1.00 0.00 H new ATOM 0 HA ALA B 29 83.427 13.871 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.495 15.251 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.518 15.466 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA B 29 85.974 14.443 -4.617 1.00 0.00 H new ATOM 570 N ALA B 30 85.850 11.720 -5.786 1.00 0.00 N ATOM 571 CA ALA B 30 86.688 10.750 -6.486 1.00 0.00 C ATOM 572 C ALA B 30 85.836 9.856 -7.382 1.00 0.00 C ATOM 573 O ALA B 30 86.253 9.478 -8.477 1.00 0.00 O ATOM 574 CB ALA B 30 87.444 9.888 -5.474 1.00 0.00 C ATOM 0 H ALA B 30 85.888 11.659 -4.769 1.00 0.00 H new ATOM 0 HA ALA B 30 87.402 11.293 -7.106 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.067 9.167 -6.004 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.074 10.524 -4.853 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.731 9.357 -4.843 1.00 0.00 H new ATOM 580 N SER B 31 84.664 9.527 -6.915 1.00 0.00 N ATOM 581 CA SER B 31 83.759 8.675 -7.679 1.00 0.00 C ATOM 582 C SER B 31 83.584 9.222 -9.094 1.00 0.00 C ATOM 583 O SER B 31 83.490 8.461 -10.057 1.00 0.00 O ATOM 584 CB SER B 31 82.399 8.601 -6.986 1.00 0.00 C ATOM 585 OG SER B 31 81.600 7.616 -7.626 1.00 0.00 O ATOM 0 H SER B 31 84.302 9.829 -6.011 1.00 0.00 H new ATOM 0 HA SER B 31 84.189 7.675 -7.736 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.528 8.353 -5.932 1.00 0.00 H new ATOM 0 HB3 SER B 31 81.904 9.571 -7.027 1.00 0.00 H new ATOM 0 HG SER B 31 80.727 7.564 -7.183 1.00 0.00 H new ATOM 591 N ILE B 32 83.540 10.520 -9.205 1.00 0.00 N ATOM 592 CA ILE B 32 83.373 11.166 -10.502 1.00 0.00 C ATOM 593 C ILE B 32 84.470 10.731 -11.471 1.00 0.00 C ATOM 594 O ILE B 32 84.227 10.577 -12.669 1.00 0.00 O ATOM 595 CB ILE B 32 83.413 12.685 -10.332 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.337 13.115 -9.331 1.00 0.00 C ATOM 597 CG2 ILE B 32 83.151 13.356 -11.681 1.00 0.00 C ATOM 598 CD1 ILE B 32 82.552 14.579 -8.947 1.00 0.00 C ATOM 0 H ILE B 32 83.617 11.164 -8.418 1.00 0.00 H new ATOM 0 HA ILE B 32 82.408 10.868 -10.913 1.00 0.00 H new ATOM 0 HB ILE B 32 84.394 12.983 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE B 32 81.347 12.984 -9.767 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.380 12.485 -8.442 1.00 0.00 H new ATOM 0 HG21 ILE B 32 83.179 14.439 -11.560 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.916 13.050 -12.394 1.00 0.00 H new ATOM 0 HG23 ILE B 32 82.170 13.058 -12.051 1.00 0.00 H new ATOM 0 HD11 ILE B 32 81.786 14.885 -8.234 1.00 0.00 H new ATOM 0 HD12 ILE B 32 83.536 14.695 -8.494 1.00 0.00 H new ATOM 0 HD13 ILE B 32 82.487 15.202 -9.839 1.00 0.00 H new ATOM 610 N ILE B 33 85.651 10.542 -10.954 1.00 0.00 N ATOM 611 CA ILE B 33 86.782 10.126 -11.778 1.00 0.00 C ATOM 612 C ILE B 33 86.608 8.676 -12.233 1.00 0.00 C ATOM 613 O ILE B 33 87.046 8.302 -13.321 1.00 0.00 O ATOM 614 CB ILE B 33 88.101 10.281 -10.993 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.225 11.731 -10.473 1.00 0.00 C ATOM 616 CG2 ILE B 33 89.296 9.958 -11.911 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.666 12.027 -10.031 1.00 0.00 C ATOM 0 H ILE B 33 85.869 10.666 -9.965 1.00 0.00 H new ATOM 0 HA ILE B 33 86.820 10.765 -12.660 1.00 0.00 H new ATOM 0 HB ILE B 33 88.100 9.591 -10.149 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.928 12.430 -11.255 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.544 11.882 -9.635 1.00 0.00 H new ATOM 0 HG21 ILE B 33 90.225 10.069 -11.352 1.00 0.00 H new ATOM 0 HG22 ILE B 33 89.210 8.933 -12.273 1.00 0.00 H new ATOM 0 HG23 ILE B 33 89.299 10.643 -12.759 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.732 13.053 -9.668 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.950 11.341 -9.233 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.340 11.898 -10.878 1.00 0.00 H new ATOM 629 N GLY B 34 85.998 7.875 -11.403 1.00 0.00 N ATOM 630 CA GLY B 34 85.796 6.464 -11.726 1.00 0.00 C ATOM 631 C GLY B 34 84.817 6.269 -12.880 1.00 0.00 C ATOM 632 O GLY B 34 85.068 5.471 -13.783 1.00 0.00 O ATOM 0 H GLY B 34 85.628 8.161 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.754 6.012 -11.984 1.00 0.00 H new ATOM 0 HA3 GLY B 34 85.424 5.941 -10.845 1.00 0.00 H new ATOM 636 N ILE B 35 83.724 6.980 -12.852 1.00 0.00 N ATOM 637 CA ILE B 35 82.733 6.854 -13.915 1.00 0.00 C ATOM 638 C ILE B 35 83.264 7.448 -15.215 1.00 0.00 C ATOM 639 O ILE B 35 83.011 6.923 -16.296 1.00 0.00 O ATOM 640 CB ILE B 35 81.424 7.547 -13.518 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.718 8.948 -12.982 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.723 6.729 -12.433 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.399 9.690 -12.759 1.00 0.00 C ATOM 0 H ILE B 35 83.487 7.649 -12.119 1.00 0.00 H new ATOM 0 HA ILE B 35 82.534 5.793 -14.069 1.00 0.00 H new ATOM 0 HB ILE B 35 80.781 7.624 -14.395 1.00 0.00 H new ATOM 0 HG12 ILE B 35 82.275 8.883 -12.047 1.00 0.00 H new ATOM 0 HG13 ILE B 35 82.342 9.496 -13.687 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.792 7.221 -12.150 1.00 0.00 H new ATOM 0 HG22 ILE B 35 80.505 5.731 -12.814 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.371 6.651 -11.560 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.604 10.690 -12.377 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.860 9.766 -13.703 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.791 9.143 -12.038 1.00 0.00 H new ATOM 655 N LEU B 36 83.989 8.527 -15.099 1.00 0.00 N ATOM 656 CA LEU B 36 84.547 9.188 -16.274 1.00 0.00 C ATOM 657 C LEU B 36 85.250 8.164 -17.167 1.00 0.00 C ATOM 658 O LEU B 36 85.116 8.193 -18.390 1.00 0.00 O ATOM 659 CB LEU B 36 85.536 10.283 -15.823 1.00 0.00 C ATOM 660 CG LEU B 36 85.583 11.448 -16.834 1.00 0.00 C ATOM 661 CD1 LEU B 36 85.839 10.909 -18.246 1.00 0.00 C ATOM 662 CD2 LEU B 36 84.261 12.246 -16.811 1.00 0.00 C ATOM 0 H LEU B 36 84.214 8.975 -14.211 1.00 0.00 H new ATOM 0 HA LEU B 36 83.744 9.650 -16.849 1.00 0.00 H new ATOM 0 HB2 LEU B 36 85.242 10.660 -14.844 1.00 0.00 H new ATOM 0 HB3 LEU B 36 86.532 9.854 -15.713 1.00 0.00 H new ATOM 0 HG LEU B 36 86.397 12.115 -16.550 1.00 0.00 H new ATOM 0 HD11 LEU B 36 85.870 11.739 -18.952 1.00 0.00 H new ATOM 0 HD12 LEU B 36 86.791 10.379 -18.266 1.00 0.00 H new ATOM 0 HD13 LEU B 36 85.037 10.225 -18.525 1.00 0.00 H new ATOM 0 HD21 LEU B 36 84.316 13.062 -17.531 1.00 0.00 H new ATOM 0 HD22 LEU B 36 83.433 11.587 -17.073 1.00 0.00 H new ATOM 0 HD23 LEU B 36 84.099 12.653 -15.813 1.00 0.00 H new ATOM 674 N HIS B 37 85.987 7.276 -16.559 1.00 0.00 N ATOM 675 CA HIS B 37 86.709 6.253 -17.309 1.00 0.00 C ATOM 676 C HIS B 37 85.760 5.492 -18.244 1.00 0.00 C ATOM 677 O HIS B 37 86.086 5.254 -19.405 1.00 0.00 O ATOM 678 CB HIS B 37 87.381 5.267 -16.317 1.00 0.00 C ATOM 679 CG HIS B 37 88.865 5.524 -16.225 1.00 0.00 C ATOM 680 ND1 HIS B 37 89.779 4.497 -16.052 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.606 6.679 -16.284 1.00 0.00 C ATOM 682 CE1 HIS B 37 91.005 5.045 -16.015 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.957 6.373 -16.152 1.00 0.00 N ATOM 0 H HIS B 37 86.111 7.229 -15.548 1.00 0.00 H new ATOM 0 HA HIS B 37 87.472 6.736 -17.919 1.00 0.00 H new ATOM 0 HB2 HIS B 37 86.928 5.371 -15.331 1.00 0.00 H new ATOM 0 HB3 HIS B 37 87.205 4.242 -16.642 1.00 0.00 H new ATOM 0 HD2 HIS B 37 89.202 7.672 -16.413 1.00 0.00 H new ATOM 0 HE1 HIS B 37 91.918 4.481 -15.890 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.743 7.024 -16.158 1.00 0.00 H new ATOM 692 N PHE B 38 84.622 5.104 -17.735 1.00 0.00 N ATOM 693 CA PHE B 38 83.653 4.348 -18.525 1.00 0.00 C ATOM 694 C PHE B 38 83.229 5.103 -19.785 1.00 0.00 C ATOM 695 O PHE B 38 83.150 4.520 -20.866 1.00 0.00 O ATOM 696 CB PHE B 38 82.420 4.049 -17.669 1.00 0.00 C ATOM 697 CG PHE B 38 81.579 2.984 -18.336 1.00 0.00 C ATOM 698 CD1 PHE B 38 80.738 3.320 -19.404 1.00 0.00 C ATOM 699 CD2 PHE B 38 81.639 1.659 -17.884 1.00 0.00 C ATOM 700 CE1 PHE B 38 79.959 2.332 -20.019 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.861 0.673 -18.499 1.00 0.00 C ATOM 702 CZ PHE B 38 80.020 1.008 -19.566 1.00 0.00 C ATOM 0 H PHE B 38 84.331 5.293 -16.776 1.00 0.00 H new ATOM 0 HA PHE B 38 84.130 3.420 -18.839 1.00 0.00 H new ATOM 0 HB2 PHE B 38 82.727 3.715 -16.678 1.00 0.00 H new ATOM 0 HB3 PHE B 38 81.832 4.957 -17.532 1.00 0.00 H new ATOM 0 HD1 PHE B 38 80.690 4.341 -19.753 1.00 0.00 H new ATOM 0 HD2 PHE B 38 82.287 1.399 -17.060 1.00 0.00 H new ATOM 0 HE1 PHE B 38 79.311 2.591 -20.843 1.00 0.00 H new ATOM 0 HE2 PHE B 38 80.909 -0.348 -18.150 1.00 0.00 H new ATOM 0 HZ PHE B 38 79.418 0.246 -20.040 1.00 0.00 H new ATOM 712 N ILE B 39 82.945 6.370 -19.646 1.00 0.00 N ATOM 713 CA ILE B 39 82.512 7.170 -20.789 1.00 0.00 C ATOM 714 C ILE B 39 83.600 7.211 -21.870 1.00 0.00 C ATOM 715 O ILE B 39 83.307 7.040 -23.050 1.00 0.00 O ATOM 716 CB ILE B 39 82.143 8.596 -20.322 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.737 8.587 -19.703 1.00 0.00 C ATOM 718 CG2 ILE B 39 82.153 9.574 -21.506 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.675 7.560 -18.572 1.00 0.00 C ATOM 0 H ILE B 39 83.001 6.879 -18.764 1.00 0.00 H new ATOM 0 HA ILE B 39 81.628 6.707 -21.227 1.00 0.00 H new ATOM 0 HB ILE B 39 82.879 8.917 -19.585 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.492 9.578 -19.321 1.00 0.00 H new ATOM 0 HG13 ILE B 39 79.996 8.347 -20.465 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.891 10.572 -21.156 1.00 0.00 H new ATOM 0 HG22 ILE B 39 83.148 9.596 -21.952 1.00 0.00 H new ATOM 0 HG23 ILE B 39 81.428 9.249 -22.252 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.676 7.558 -18.137 1.00 0.00 H new ATOM 0 HD12 ILE B 39 80.901 6.570 -18.967 1.00 0.00 H new ATOM 0 HD13 ILE B 39 81.404 7.819 -17.805 1.00 0.00 H new ATOM 731 N ALA B 40 84.823 7.439 -21.479 1.00 0.00 N ATOM 732 CA ALA B 40 85.918 7.501 -22.448 1.00 0.00 C ATOM 733 C ALA B 40 86.222 6.118 -23.028 1.00 0.00 C ATOM 734 O ALA B 40 86.498 5.980 -24.219 1.00 0.00 O ATOM 735 CB ALA B 40 87.173 8.063 -21.779 1.00 0.00 C ATOM 0 H ALA B 40 85.100 7.586 -20.508 1.00 0.00 H new ATOM 0 HA ALA B 40 85.611 8.156 -23.263 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.984 8.106 -22.506 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.967 9.066 -21.404 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.463 7.418 -20.950 1.00 0.00 H new ATOM 741 N TRP B 41 86.180 5.120 -22.188 1.00 0.00 N ATOM 742 CA TRP B 41 86.463 3.749 -22.607 1.00 0.00 C ATOM 743 C TRP B 41 85.667 3.371 -23.858 1.00 0.00 C ATOM 744 O TRP B 41 86.101 2.534 -24.650 1.00 0.00 O ATOM 745 CB TRP B 41 86.118 2.786 -21.460 1.00 0.00 C ATOM 746 CG TRP B 41 86.839 1.484 -21.636 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.555 0.556 -22.578 1.00 0.00 C ATOM 748 CD2 TRP B 41 87.951 0.952 -20.859 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.425 -0.509 -22.432 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.305 -0.311 -21.387 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.683 1.439 -19.760 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.345 -1.065 -20.844 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.730 0.680 -19.210 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.060 -0.569 -19.753 1.00 0.00 C ATOM 0 H TRP B 41 85.952 5.219 -21.199 1.00 0.00 H new ATOM 0 HA TRP B 41 87.523 3.676 -22.850 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.392 3.235 -20.505 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.042 2.613 -21.433 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.776 0.634 -23.322 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.417 -1.339 -23.024 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.439 2.402 -19.337 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.596 -2.027 -21.265 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.283 1.061 -18.364 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.867 -1.147 -19.328 1.00 0.00 H new ATOM 765 N THR B 42 84.523 3.976 -24.025 1.00 0.00 N ATOM 766 CA THR B 42 83.680 3.683 -25.182 1.00 0.00 C ATOM 767 C THR B 42 84.386 4.039 -26.493 1.00 0.00 C ATOM 768 O THR B 42 84.259 3.321 -27.484 1.00 0.00 O ATOM 769 CB THR B 42 82.358 4.450 -25.087 1.00 0.00 C ATOM 770 OG1 THR B 42 82.625 5.833 -24.927 1.00 0.00 O ATOM 771 CG2 THR B 42 81.554 3.941 -23.890 1.00 0.00 C ATOM 0 H THR B 42 84.143 4.674 -23.385 1.00 0.00 H new ATOM 0 HA THR B 42 83.480 2.612 -25.179 1.00 0.00 H new ATOM 0 HB THR B 42 81.782 4.295 -25.999 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.814 6.023 -23.984 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.614 4.488 -23.824 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.347 2.878 -24.016 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.127 4.093 -22.975 1.00 0.00 H new ATOM 779 N ILE B 43 85.110 5.126 -26.501 1.00 0.00 N ATOM 780 CA ILE B 43 85.816 5.546 -27.711 1.00 0.00 C ATOM 781 C ILE B 43 86.855 4.498 -28.120 1.00 0.00 C ATOM 782 O ILE B 43 86.907 4.085 -29.278 1.00 0.00 O ATOM 783 CB ILE B 43 86.496 6.908 -27.481 1.00 0.00 C ATOM 784 CG1 ILE B 43 85.433 8.015 -27.458 1.00 0.00 C ATOM 785 CG2 ILE B 43 87.491 7.201 -28.611 1.00 0.00 C ATOM 786 CD1 ILE B 43 84.478 7.807 -26.280 1.00 0.00 C ATOM 0 H ILE B 43 85.234 5.741 -25.697 1.00 0.00 H new ATOM 0 HA ILE B 43 85.091 5.645 -28.519 1.00 0.00 H new ATOM 0 HB ILE B 43 87.026 6.878 -26.529 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.914 8.990 -27.378 1.00 0.00 H new ATOM 0 HG13 ILE B 43 84.874 8.012 -28.394 1.00 0.00 H new ATOM 0 HG21 ILE B 43 87.965 8.167 -28.437 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.253 6.422 -28.636 1.00 0.00 H new ATOM 0 HG23 ILE B 43 86.963 7.223 -29.564 1.00 0.00 H new ATOM 0 HD11 ILE B 43 83.729 8.599 -26.275 1.00 0.00 H new ATOM 0 HD12 ILE B 43 83.984 6.840 -26.378 1.00 0.00 H new ATOM 0 HD13 ILE B 43 85.040 7.834 -25.347 1.00 0.00 H new ATOM 798 N GLY B 44 87.670 4.093 -27.186 1.00 0.00 N ATOM 799 CA GLY B 44 88.709 3.105 -27.466 1.00 0.00 C ATOM 800 C GLY B 44 88.119 1.818 -28.035 1.00 0.00 C ATOM 801 O GLY B 44 88.773 1.110 -28.800 1.00 0.00 O ATOM 0 H GLY B 44 87.646 4.423 -26.221 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.427 3.521 -28.173 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.256 2.882 -26.550 1.00 0.00 H new ATOM 805 N HIS B 45 86.907 1.520 -27.655 1.00 0.00 N ATOM 806 CA HIS B 45 86.236 0.309 -28.121 1.00 0.00 C ATOM 807 C HIS B 45 86.182 0.240 -29.646 1.00 0.00 C ATOM 808 O HIS B 45 86.127 -0.848 -30.219 1.00 0.00 O ATOM 809 CB HIS B 45 84.815 0.252 -27.561 1.00 0.00 C ATOM 810 CG HIS B 45 84.205 -1.083 -27.885 1.00 0.00 C ATOM 811 ND1 HIS B 45 82.895 -1.210 -28.322 1.00 0.00 N ATOM 812 CD2 HIS B 45 84.710 -2.359 -27.840 1.00 0.00 C ATOM 813 CE1 HIS B 45 82.659 -2.519 -28.521 1.00 0.00 C ATOM 814 NE2 HIS B 45 83.733 -3.263 -28.243 1.00 0.00 N ATOM 0 H HIS B 45 86.351 2.094 -27.021 1.00 0.00 H new ATOM 0 HA HIS B 45 86.814 -0.544 -27.764 1.00 0.00 H new ATOM 0 HB2 HIS B 45 84.831 0.405 -26.482 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.212 1.053 -27.988 1.00 0.00 H new ATOM 0 HD1 HIS B 45 82.231 -0.449 -28.466 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.713 -2.621 -27.538 1.00 0.00 H new ATOM 0 HE1 HIS B 45 81.716 -2.920 -28.864 1.00 0.00 H new ATOM 823 N LEU B 46 86.168 1.376 -30.289 1.00 0.00 N ATOM 824 CA LEU B 46 86.085 1.406 -31.745 1.00 0.00 C ATOM 825 C LEU B 46 87.090 0.430 -32.366 1.00 0.00 C ATOM 826 O LEU B 46 86.861 -0.102 -33.453 1.00 0.00 O ATOM 827 CB LEU B 46 86.316 2.839 -32.257 1.00 0.00 C ATOM 828 CG LEU B 46 87.825 3.189 -32.274 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.517 2.632 -33.552 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.000 4.728 -32.194 1.00 0.00 C ATOM 0 H LEU B 46 86.212 2.292 -29.843 1.00 0.00 H new ATOM 0 HA LEU B 46 85.086 1.089 -32.046 1.00 0.00 H new ATOM 0 HB2 LEU B 46 85.905 2.940 -33.261 1.00 0.00 H new ATOM 0 HB3 LEU B 46 85.783 3.546 -31.621 1.00 0.00 H new ATOM 0 HG LEU B 46 88.300 2.724 -31.410 1.00 0.00 H new ATOM 0 HD11 LEU B 46 89.575 2.893 -33.536 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.411 1.547 -33.580 1.00 0.00 H new ATOM 0 HD13 LEU B 46 88.050 3.065 -34.437 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.062 4.975 -32.206 1.00 0.00 H new ATOM 0 HD22 LEU B 46 87.509 5.195 -33.048 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.552 5.098 -31.272 1.00 0.00 H new ATOM 842 N ASN B 47 88.184 0.205 -31.688 1.00 0.00 N ATOM 843 CA ASN B 47 89.212 -0.712 -32.189 1.00 0.00 C ATOM 844 C ASN B 47 88.692 -2.156 -32.318 1.00 0.00 C ATOM 845 O ASN B 47 88.945 -2.817 -33.325 1.00 0.00 O ATOM 846 CB ASN B 47 90.420 -0.693 -31.250 1.00 0.00 C ATOM 847 CG ASN B 47 91.145 0.645 -31.360 1.00 0.00 C ATOM 848 OD1 ASN B 47 91.359 1.149 -32.462 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.539 1.253 -30.274 1.00 0.00 N ATOM 0 H ASN B 47 88.400 0.635 -30.789 1.00 0.00 H new ATOM 0 HA ASN B 47 89.497 -0.370 -33.184 1.00 0.00 H new ATOM 0 HB2 ASN B 47 90.095 -0.857 -30.223 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.100 -1.506 -31.502 1.00 0.00 H new ATOM 0 HD21 ASN B 47 92.025 2.147 -30.338 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.361 0.834 -29.361 1.00 0.00 H new ATOM 856 N GLN B 48 87.999 -2.640 -31.315 1.00 0.00 N ATOM 857 CA GLN B 48 87.479 -4.011 -31.333 1.00 0.00 C ATOM 858 C GLN B 48 86.504 -4.233 -32.483 1.00 0.00 C ATOM 859 O GLN B 48 86.654 -5.167 -33.270 1.00 0.00 O ATOM 860 CB GLN B 48 86.771 -4.312 -30.008 1.00 0.00 C ATOM 861 CG GLN B 48 86.508 -5.819 -29.883 1.00 0.00 C ATOM 862 CD GLN B 48 85.437 -6.076 -28.827 1.00 0.00 C ATOM 863 OE1 GLN B 48 85.771 -6.121 -27.567 1.00 0.00 O flip ATOM 864 NE2 GLN B 48 84.263 -6.239 -29.160 1.00 0.00 N flip ATOM 0 H GLN B 48 87.775 -2.114 -30.470 1.00 0.00 H new ATOM 0 HA GLN B 48 88.326 -4.683 -31.472 1.00 0.00 H new ATOM 0 HB2 GLN B 48 87.384 -3.971 -29.173 1.00 0.00 H new ATOM 0 HB3 GLN B 48 85.830 -3.765 -29.957 1.00 0.00 H new ATOM 0 HG2 GLN B 48 86.187 -6.221 -30.844 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.429 -6.336 -29.612 1.00 0.00 H new ATOM 0 HE21 GLN B 48 84.003 -6.204 -30.146 1.00 0.00 H new ATOM 0 HE22 GLN B 48 83.551 -6.409 -28.450 1.00 0.00 H new ATOM 873 N ILE B 49 85.524 -3.390 -32.562 1.00 0.00 N ATOM 874 CA ILE B 49 84.516 -3.502 -33.616 1.00 0.00 C ATOM 875 C ILE B 49 85.178 -3.495 -35.001 1.00 0.00 C ATOM 876 O ILE B 49 85.135 -4.500 -35.710 1.00 0.00 O ATOM 877 CB ILE B 49 83.457 -2.384 -33.488 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.577 -2.334 -34.749 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.121 -1.020 -33.277 1.00 0.00 C ATOM 880 CD1 ILE B 49 82.008 -3.726 -35.042 1.00 0.00 C ATOM 0 H ILE B 49 85.384 -2.611 -31.919 1.00 0.00 H new ATOM 0 HA ILE B 49 84.001 -4.455 -33.499 1.00 0.00 H new ATOM 0 HB ILE B 49 82.837 -2.610 -32.621 1.00 0.00 H new ATOM 0 HG12 ILE B 49 81.764 -1.621 -34.608 1.00 0.00 H new ATOM 0 HG13 ILE B 49 83.163 -1.985 -35.599 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.353 -0.251 -33.190 1.00 0.00 H new ATOM 0 HG22 ILE B 49 84.717 -1.043 -32.365 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.766 -0.794 -34.126 1.00 0.00 H new ATOM 0 HD11 ILE B 49 81.386 -3.684 -35.936 1.00 0.00 H new ATOM 0 HD12 ILE B 49 82.827 -4.427 -35.202 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.406 -4.058 -34.196 1.00 0.00 H new ATOM 967 N PRO C 25 94.131 8.787 5.586 1.00 0.00 N ATOM 968 CA PRO C 25 94.428 9.393 4.258 1.00 0.00 C ATOM 969 C PRO C 25 94.607 8.338 3.163 1.00 0.00 C ATOM 970 O PRO C 25 95.056 8.647 2.058 1.00 0.00 O ATOM 971 CB PRO C 25 95.730 10.153 4.515 1.00 0.00 C ATOM 972 CG PRO C 25 96.447 9.333 5.541 1.00 0.00 C ATOM 973 CD PRO C 25 95.359 8.665 6.401 1.00 0.00 C ATOM 0 HA PRO C 25 93.617 10.025 3.895 1.00 0.00 H new ATOM 0 HB2 PRO C 25 96.319 10.251 3.603 1.00 0.00 H new ATOM 0 HB3 PRO C 25 95.535 11.162 4.879 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.081 8.584 5.066 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.097 9.958 6.153 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.599 7.622 6.608 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.250 9.164 7.364 1.00 0.00 H new ATOM 981 N LEU C 26 94.273 7.116 3.477 1.00 0.00 N ATOM 982 CA LEU C 26 94.414 6.022 2.519 1.00 0.00 C ATOM 983 C LEU C 26 93.665 6.338 1.219 1.00 0.00 C ATOM 984 O LEU C 26 94.222 6.224 0.129 1.00 0.00 O ATOM 985 CB LEU C 26 93.868 4.722 3.153 1.00 0.00 C ATOM 986 CG LEU C 26 94.574 3.474 2.580 1.00 0.00 C ATOM 987 CD1 LEU C 26 94.524 3.500 1.050 1.00 0.00 C ATOM 988 CD2 LEU C 26 96.044 3.414 3.051 1.00 0.00 C ATOM 0 H LEU C 26 93.900 6.840 4.385 1.00 0.00 H new ATOM 0 HA LEU C 26 95.468 5.894 2.274 1.00 0.00 H new ATOM 0 HB2 LEU C 26 94.007 4.756 4.234 1.00 0.00 H new ATOM 0 HB3 LEU C 26 92.796 4.650 2.972 1.00 0.00 H new ATOM 0 HG LEU C 26 94.054 2.588 2.944 1.00 0.00 H new ATOM 0 HD11 LEU C 26 95.024 2.616 0.655 1.00 0.00 H new ATOM 0 HD12 LEU C 26 93.485 3.507 0.720 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.027 4.395 0.685 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.523 2.527 2.636 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.572 4.305 2.710 1.00 0.00 H new ATOM 0 HD23 LEU C 26 96.076 3.368 4.140 1.00 0.00 H new ATOM 1000 N VAL C 27 92.426 6.727 1.339 1.00 0.00 N ATOM 1001 CA VAL C 27 91.620 7.050 0.164 1.00 0.00 C ATOM 1002 C VAL C 27 92.102 8.338 -0.499 1.00 0.00 C ATOM 1003 O VAL C 27 92.141 8.440 -1.725 1.00 0.00 O ATOM 1004 CB VAL C 27 90.154 7.204 0.565 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.325 7.563 -0.668 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.646 5.886 1.151 1.00 0.00 C ATOM 0 H VAL C 27 91.941 6.832 2.230 1.00 0.00 H new ATOM 0 HA VAL C 27 91.724 6.233 -0.550 1.00 0.00 H new ATOM 0 HB VAL C 27 90.062 7.994 1.310 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.279 7.673 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.687 8.501 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL C 27 89.417 6.771 -1.412 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.600 5.994 1.438 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.738 5.097 0.405 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.238 5.626 2.029 1.00 0.00 H new ATOM 1016 N VAL C 28 92.455 9.300 0.306 1.00 0.00 N ATOM 1017 CA VAL C 28 92.927 10.583 -0.209 1.00 0.00 C ATOM 1018 C VAL C 28 94.206 10.399 -1.018 1.00 0.00 C ATOM 1019 O VAL C 28 94.359 10.975 -2.095 1.00 0.00 O ATOM 1020 CB VAL C 28 93.190 11.546 0.951 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.693 12.882 0.400 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.893 11.770 1.737 1.00 0.00 C ATOM 0 H VAL C 28 92.430 9.234 1.324 1.00 0.00 H new ATOM 0 HA VAL C 28 92.156 10.997 -0.859 1.00 0.00 H new ATOM 0 HB VAL C 28 93.944 11.120 1.613 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.881 13.569 1.226 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.617 12.722 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.940 13.309 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL C 28 92.082 12.456 2.563 1.00 0.00 H new ATOM 0 HG22 VAL C 28 91.137 12.196 1.077 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.537 10.818 2.130 1.00 0.00 H new ATOM 1032 N ALA C 29 95.107 9.612 -0.497 1.00 0.00 N ATOM 1033 CA ALA C 29 96.373 9.366 -1.179 1.00 0.00 C ATOM 1034 C ALA C 29 96.138 8.650 -2.506 1.00 0.00 C ATOM 1035 O ALA C 29 96.649 9.069 -3.543 1.00 0.00 O ATOM 1036 CB ALA C 29 97.291 8.522 -0.291 1.00 0.00 C ATOM 0 H ALA C 29 95.000 9.126 0.394 1.00 0.00 H new ATOM 0 HA ALA C 29 96.849 10.326 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.234 8.343 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.484 9.053 0.641 1.00 0.00 H new ATOM 0 HB3 ALA C 29 96.810 7.568 -0.073 1.00 0.00 H new ATOM 1042 N ALA C 30 95.382 7.589 -2.465 1.00 0.00 N ATOM 1043 CA ALA C 30 95.090 6.813 -3.668 1.00 0.00 C ATOM 1044 C ALA C 30 94.394 7.667 -4.731 1.00 0.00 C ATOM 1045 O ALA C 30 94.527 7.408 -5.927 1.00 0.00 O ATOM 1046 CB ALA C 30 94.206 5.617 -3.311 1.00 0.00 C ATOM 0 H ALA C 30 94.949 7.229 -1.614 1.00 0.00 H new ATOM 0 HA ALA C 30 96.037 6.464 -4.080 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.991 5.042 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.724 4.984 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.272 5.972 -2.876 1.00 0.00 H new ATOM 1052 N SER C 31 93.656 8.652 -4.299 1.00 0.00 N ATOM 1053 CA SER C 31 92.934 9.519 -5.228 1.00 0.00 C ATOM 1054 C SER C 31 93.874 10.130 -6.268 1.00 0.00 C ATOM 1055 O SER C 31 93.536 10.206 -7.449 1.00 0.00 O ATOM 1056 CB SER C 31 92.237 10.641 -4.457 1.00 0.00 C ATOM 1057 OG SER C 31 91.435 11.401 -5.353 1.00 0.00 O ATOM 0 H SER C 31 93.530 8.885 -3.314 1.00 0.00 H new ATOM 0 HA SER C 31 92.196 8.908 -5.748 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.618 10.222 -3.663 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.977 11.283 -3.979 1.00 0.00 H new ATOM 0 HG SER C 31 90.986 12.120 -4.861 1.00 0.00 H new ATOM 1063 N ILE C 32 95.024 10.568 -5.832 1.00 0.00 N ATOM 1064 CA ILE C 32 95.988 11.183 -6.744 1.00 0.00 C ATOM 1065 C ILE C 32 96.228 10.296 -7.966 1.00 0.00 C ATOM 1066 O ILE C 32 96.530 10.789 -9.052 1.00 0.00 O ATOM 1067 CB ILE C 32 97.318 11.434 -6.007 1.00 0.00 C ATOM 1068 CG1 ILE C 32 98.159 12.465 -6.785 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.116 10.122 -5.881 1.00 0.00 C ATOM 1070 CD1 ILE C 32 97.510 13.858 -6.734 1.00 0.00 C ATOM 0 H ILE C 32 95.328 10.517 -4.860 1.00 0.00 H new ATOM 0 HA ILE C 32 95.579 12.133 -7.087 1.00 0.00 H new ATOM 0 HB ILE C 32 97.096 11.816 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE C 32 99.163 12.512 -6.364 1.00 0.00 H new ATOM 0 HG13 ILE C 32 98.263 12.146 -7.822 1.00 0.00 H new ATOM 0 HG21 ILE C 32 99.053 10.315 -5.358 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.531 9.393 -5.320 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.329 9.729 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE C 32 98.124 14.566 -7.291 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.516 13.813 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE C 32 97.430 14.184 -5.697 1.00 0.00 H new ATOM 1082 N ILE C 33 96.113 9.011 -7.777 1.00 0.00 N ATOM 1083 CA ILE C 33 96.337 8.058 -8.860 1.00 0.00 C ATOM 1084 C ILE C 33 95.217 8.123 -9.899 1.00 0.00 C ATOM 1085 O ILE C 33 95.457 7.914 -11.088 1.00 0.00 O ATOM 1086 CB ILE C 33 96.455 6.627 -8.296 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.570 6.590 -7.225 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.793 5.636 -9.430 1.00 0.00 C ATOM 1089 CD1 ILE C 33 98.005 5.144 -6.945 1.00 0.00 C ATOM 0 H ILE C 33 95.865 8.585 -6.884 1.00 0.00 H new ATOM 0 HA ILE C 33 97.271 8.326 -9.354 1.00 0.00 H new ATOM 0 HB ILE C 33 95.504 6.339 -7.847 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.426 7.174 -7.564 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.213 7.052 -6.305 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.874 4.629 -9.021 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.004 5.660 -10.181 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.740 5.918 -9.890 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.790 5.140 -6.189 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.151 4.570 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.383 4.694 -7.863 1.00 0.00 H new ATOM 1101 N GLY C 34 94.017 8.382 -9.463 1.00 0.00 N ATOM 1102 CA GLY C 34 92.886 8.436 -10.384 1.00 0.00 C ATOM 1103 C GLY C 34 92.993 9.605 -11.357 1.00 0.00 C ATOM 1104 O GLY C 34 92.828 9.436 -12.563 1.00 0.00 O ATOM 0 H GLY C 34 93.784 8.560 -8.486 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.831 7.503 -10.944 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.960 8.522 -9.815 1.00 0.00 H new ATOM 1108 N ILE C 35 93.252 10.768 -10.845 1.00 0.00 N ATOM 1109 CA ILE C 35 93.363 11.948 -11.694 1.00 0.00 C ATOM 1110 C ILE C 35 94.559 11.823 -12.641 1.00 0.00 C ATOM 1111 O ILE C 35 94.505 12.264 -13.788 1.00 0.00 O ATOM 1112 CB ILE C 35 93.505 13.197 -10.824 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.662 14.429 -11.716 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.731 13.059 -9.921 1.00 0.00 C ATOM 1115 CD1 ILE C 35 93.447 15.692 -10.879 1.00 0.00 C ATOM 0 H ILE C 35 93.393 10.941 -9.850 1.00 0.00 H new ATOM 0 HA ILE C 35 92.459 12.032 -12.297 1.00 0.00 H new ATOM 0 HB ILE C 35 92.613 13.309 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.655 14.442 -12.166 1.00 0.00 H new ATOM 0 HG13 ILE C 35 92.942 14.394 -12.534 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.829 13.951 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.615 12.184 -9.281 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.624 12.943 -10.535 1.00 0.00 H new ATOM 0 HD11 ILE C 35 93.558 16.572 -11.513 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.445 15.678 -10.450 1.00 0.00 H new ATOM 0 HD13 ILE C 35 94.184 15.727 -10.077 1.00 0.00 H new ATOM 1127 N LEU C 36 95.621 11.253 -12.144 1.00 0.00 N ATOM 1128 CA LEU C 36 96.840 11.095 -12.935 1.00 0.00 C ATOM 1129 C LEU C 36 96.547 10.397 -14.271 1.00 0.00 C ATOM 1130 O LEU C 36 97.031 10.834 -15.315 1.00 0.00 O ATOM 1131 CB LEU C 36 97.923 10.355 -12.085 1.00 0.00 C ATOM 1132 CG LEU C 36 98.311 8.968 -12.663 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.062 9.121 -14.014 1.00 0.00 C ATOM 1134 CD2 LEU C 36 99.190 8.207 -11.634 1.00 0.00 C ATOM 0 H LEU C 36 95.681 10.885 -11.195 1.00 0.00 H new ATOM 0 HA LEU C 36 97.237 12.077 -13.192 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.815 10.978 -12.023 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.552 10.227 -11.068 1.00 0.00 H new ATOM 0 HG LEU C 36 97.402 8.397 -12.851 1.00 0.00 H new ATOM 0 HD11 LEU C 36 99.323 8.135 -14.399 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.420 9.632 -14.731 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.971 9.703 -13.861 1.00 0.00 H new ATOM 0 HD21 LEU C 36 99.463 7.233 -12.039 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.094 8.782 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU C 36 98.631 8.071 -10.708 1.00 0.00 H new ATOM 1146 N HIS C 37 95.808 9.322 -14.243 1.00 0.00 N ATOM 1147 CA HIS C 37 95.525 8.591 -15.476 1.00 0.00 C ATOM 1148 C HIS C 37 94.775 9.459 -16.483 1.00 0.00 C ATOM 1149 O HIS C 37 94.890 9.248 -17.690 1.00 0.00 O ATOM 1150 CB HIS C 37 94.743 7.302 -15.190 1.00 0.00 C ATOM 1151 CG HIS C 37 93.352 7.612 -14.713 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.536 8.537 -15.343 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.613 7.107 -13.672 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.365 8.564 -14.680 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.360 7.711 -13.652 1.00 0.00 N ATOM 0 H HIS C 37 95.390 8.927 -13.401 1.00 0.00 H new ATOM 0 HA HIS C 37 96.484 8.319 -15.916 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.695 6.694 -16.093 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.267 6.714 -14.437 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.953 6.355 -12.975 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.532 9.197 -14.946 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.600 7.539 -12.993 1.00 0.00 H new ATOM 1164 N PHE C 38 94.012 10.405 -16.007 1.00 0.00 N ATOM 1165 CA PHE C 38 93.245 11.272 -16.899 1.00 0.00 C ATOM 1166 C PHE C 38 94.153 12.024 -17.871 1.00 0.00 C ATOM 1167 O PHE C 38 93.882 12.071 -19.070 1.00 0.00 O ATOM 1168 CB PHE C 38 92.443 12.277 -16.071 1.00 0.00 C ATOM 1169 CG PHE C 38 91.482 13.020 -16.968 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.248 12.446 -17.301 1.00 0.00 C ATOM 1171 CD2 PHE C 38 91.822 14.283 -17.468 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.358 13.134 -18.134 1.00 0.00 C ATOM 1173 CE2 PHE C 38 90.931 14.972 -18.300 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.698 14.397 -18.632 1.00 0.00 C ATOM 0 H PHE C 38 93.896 10.605 -15.014 1.00 0.00 H new ATOM 0 HA PHE C 38 92.572 10.643 -17.482 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.895 11.760 -15.283 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.117 12.980 -15.581 1.00 0.00 H new ATOM 0 HD1 PHE C 38 89.983 11.473 -16.915 1.00 0.00 H new ATOM 0 HD2 PHE C 38 92.773 14.726 -17.212 1.00 0.00 H new ATOM 0 HE1 PHE C 38 88.408 12.690 -18.393 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.194 15.946 -18.685 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.009 14.928 -19.272 1.00 0.00 H new ATOM 1184 N ILE C 39 95.198 12.618 -17.366 1.00 0.00 N ATOM 1185 CA ILE C 39 96.106 13.375 -18.223 1.00 0.00 C ATOM 1186 C ILE C 39 96.730 12.478 -19.290 1.00 0.00 C ATOM 1187 O ILE C 39 96.798 12.851 -20.458 1.00 0.00 O ATOM 1188 CB ILE C 39 97.218 14.029 -17.390 1.00 0.00 C ATOM 1189 CG1 ILE C 39 96.603 14.921 -16.272 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.087 14.884 -18.322 1.00 0.00 C ATOM 1191 CD1 ILE C 39 96.552 14.161 -14.936 1.00 0.00 C ATOM 0 H ILE C 39 95.452 12.601 -16.378 1.00 0.00 H new ATOM 0 HA ILE C 39 95.522 14.152 -18.716 1.00 0.00 H new ATOM 0 HB ILE C 39 97.824 13.257 -16.917 1.00 0.00 H new ATOM 0 HG12 ILE C 39 97.195 15.829 -16.157 1.00 0.00 H new ATOM 0 HG13 ILE C 39 95.598 15.230 -16.559 1.00 0.00 H new ATOM 0 HG21 ILE C 39 98.883 15.356 -17.746 1.00 0.00 H new ATOM 0 HG22 ILE C 39 98.525 14.251 -19.094 1.00 0.00 H new ATOM 0 HG23 ILE C 39 97.472 15.653 -18.789 1.00 0.00 H new ATOM 0 HD11 ILE C 39 96.119 14.803 -14.169 1.00 0.00 H new ATOM 0 HD12 ILE C 39 95.939 13.267 -15.049 1.00 0.00 H new ATOM 0 HD13 ILE C 39 97.562 13.874 -14.642 1.00 0.00 H new ATOM 1203 N ALA C 40 97.183 11.324 -18.886 1.00 0.00 N ATOM 1204 CA ALA C 40 97.807 10.387 -19.817 1.00 0.00 C ATOM 1205 C ALA C 40 96.779 9.771 -20.763 1.00 0.00 C ATOM 1206 O ALA C 40 97.103 9.402 -21.891 1.00 0.00 O ATOM 1207 CB ALA C 40 98.509 9.275 -19.038 1.00 0.00 C ATOM 0 H ALA C 40 97.138 10.997 -17.921 1.00 0.00 H new ATOM 0 HA ALA C 40 98.532 10.941 -20.413 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.973 8.579 -19.736 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.275 9.709 -18.395 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.780 8.744 -18.426 1.00 0.00 H new ATOM 1213 N TRP C 41 95.569 9.642 -20.295 1.00 0.00 N ATOM 1214 CA TRP C 41 94.499 9.039 -21.089 1.00 0.00 C ATOM 1215 C TRP C 41 94.427 9.638 -22.487 1.00 0.00 C ATOM 1216 O TRP C 41 94.363 8.911 -23.478 1.00 0.00 O ATOM 1217 CB TRP C 41 93.161 9.248 -20.378 1.00 0.00 C ATOM 1218 CG TRP C 41 92.071 8.592 -21.158 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.599 9.029 -22.347 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.304 7.399 -20.823 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.593 8.177 -22.768 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.374 7.157 -21.862 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.325 6.513 -19.732 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.496 6.073 -21.819 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.442 5.421 -19.685 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.531 5.201 -20.727 1.00 0.00 C ATOM 0 H TRP C 41 95.284 9.944 -19.363 1.00 0.00 H new ATOM 0 HA TRP C 41 94.714 7.975 -21.190 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.203 8.831 -19.372 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.956 10.313 -20.273 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.949 9.900 -22.881 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.076 8.288 -23.640 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.024 6.673 -18.925 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.795 5.909 -22.624 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.465 4.747 -18.841 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.857 4.358 -20.686 1.00 0.00 H new ATOM 1237 N THR C 42 94.399 10.934 -22.561 1.00 0.00 N ATOM 1238 CA THR C 42 94.288 11.620 -23.844 1.00 0.00 C ATOM 1239 C THR C 42 95.270 11.069 -24.879 1.00 0.00 C ATOM 1240 O THR C 42 95.005 11.135 -26.079 1.00 0.00 O ATOM 1241 CB THR C 42 94.539 13.118 -23.647 1.00 0.00 C ATOM 1242 OG1 THR C 42 94.175 13.815 -24.830 1.00 0.00 O ATOM 1243 CG2 THR C 42 96.020 13.359 -23.346 1.00 0.00 C ATOM 0 H THR C 42 94.451 11.554 -21.753 1.00 0.00 H new ATOM 0 HA THR C 42 93.280 11.451 -24.223 1.00 0.00 H new ATOM 0 HB THR C 42 93.940 13.479 -22.811 1.00 0.00 H new ATOM 0 HG1 THR C 42 94.333 14.774 -24.706 1.00 0.00 H new ATOM 0 HG21 THR C 42 96.194 14.426 -23.207 1.00 0.00 H new ATOM 0 HG22 THR C 42 96.298 12.824 -22.438 1.00 0.00 H new ATOM 0 HG23 THR C 42 96.624 12.999 -24.179 1.00 0.00 H new ATOM 1251 N ILE C 43 96.384 10.544 -24.438 1.00 0.00 N ATOM 1252 CA ILE C 43 97.367 10.007 -25.375 1.00 0.00 C ATOM 1253 C ILE C 43 96.691 9.059 -26.372 1.00 0.00 C ATOM 1254 O ILE C 43 96.891 9.167 -27.581 1.00 0.00 O ATOM 1255 CB ILE C 43 98.498 9.281 -24.606 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.751 9.163 -25.501 1.00 0.00 C ATOM 1257 CG2 ILE C 43 98.045 7.875 -24.181 1.00 0.00 C ATOM 1258 CD1 ILE C 43 100.557 10.473 -25.486 1.00 0.00 C ATOM 0 H ILE C 43 96.641 10.472 -23.454 1.00 0.00 H new ATOM 0 HA ILE C 43 97.807 10.832 -25.935 1.00 0.00 H new ATOM 0 HB ILE C 43 98.736 9.863 -23.715 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.377 8.342 -25.152 1.00 0.00 H new ATOM 0 HG13 ILE C 43 99.453 8.925 -26.522 1.00 0.00 H new ATOM 0 HG21 ILE C 43 98.853 7.380 -23.642 1.00 0.00 H new ATOM 0 HG22 ILE C 43 97.172 7.954 -23.533 1.00 0.00 H new ATOM 0 HG23 ILE C 43 97.789 7.292 -25.066 1.00 0.00 H new ATOM 0 HD11 ILE C 43 101.435 10.367 -26.123 1.00 0.00 H new ATOM 0 HD12 ILE C 43 99.935 11.287 -25.858 1.00 0.00 H new ATOM 0 HD13 ILE C 43 100.873 10.694 -24.466 1.00 0.00 H new ATOM 1270 N GLY C 44 95.916 8.148 -25.857 1.00 0.00 N ATOM 1271 CA GLY C 44 95.217 7.172 -26.687 1.00 0.00 C ATOM 1272 C GLY C 44 94.382 7.843 -27.776 1.00 0.00 C ATOM 1273 O GLY C 44 94.151 7.259 -28.833 1.00 0.00 O ATOM 0 H GLY C 44 95.742 8.049 -24.857 1.00 0.00 H new ATOM 0 HA2 GLY C 44 95.943 6.501 -27.148 1.00 0.00 H new ATOM 0 HA3 GLY C 44 94.570 6.559 -26.059 1.00 0.00 H new ATOM 1277 N HIS C 45 93.930 9.037 -27.518 1.00 0.00 N ATOM 1278 CA HIS C 45 93.109 9.763 -28.484 1.00 0.00 C ATOM 1279 C HIS C 45 93.750 9.763 -29.874 1.00 0.00 C ATOM 1280 O HIS C 45 93.050 9.764 -30.887 1.00 0.00 O ATOM 1281 CB HIS C 45 92.918 11.205 -28.011 1.00 0.00 C ATOM 1282 CG HIS C 45 91.868 11.880 -28.850 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.066 13.127 -29.419 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.602 11.495 -29.221 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.948 13.447 -30.094 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.023 12.487 -30.007 1.00 0.00 N ATOM 0 H HIS C 45 94.109 9.541 -26.649 1.00 0.00 H new ATOM 0 HA HIS C 45 92.144 9.261 -28.554 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.622 11.217 -26.962 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.860 11.749 -28.083 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.129 10.564 -28.945 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.814 14.369 -30.641 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.093 12.482 -30.426 1.00 0.00 H new ATOM 1295 N LEU C 46 95.055 9.786 -29.915 1.00 0.00 N ATOM 1296 CA LEU C 46 95.773 9.813 -31.184 1.00 0.00 C ATOM 1297 C LEU C 46 95.470 8.578 -32.037 1.00 0.00 C ATOM 1298 O LEU C 46 95.259 8.698 -33.244 1.00 0.00 O ATOM 1299 CB LEU C 46 97.285 9.953 -30.930 1.00 0.00 C ATOM 1300 CG LEU C 46 97.911 8.593 -30.530 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.267 7.743 -31.781 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.179 8.847 -29.690 1.00 0.00 C ATOM 0 H LEU C 46 95.653 9.787 -29.089 1.00 0.00 H new ATOM 0 HA LEU C 46 95.428 10.680 -31.748 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.774 10.332 -31.827 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.458 10.683 -30.140 1.00 0.00 H new ATOM 0 HG LEU C 46 97.181 8.034 -29.945 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.704 6.796 -31.465 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.363 7.551 -32.359 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.984 8.285 -32.397 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.624 7.894 -29.405 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.896 9.421 -30.277 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.915 9.406 -28.792 1.00 0.00 H new ATOM 1427 N ASP D 24 87.942 -3.675 8.401 1.00 0.00 N ATOM 1428 CA ASP D 24 88.338 -4.567 7.318 1.00 0.00 C ATOM 1429 C ASP D 24 89.092 -3.782 6.232 1.00 0.00 C ATOM 1430 O ASP D 24 88.680 -2.678 5.875 1.00 0.00 O ATOM 1431 CB ASP D 24 87.094 -5.217 6.709 1.00 0.00 C ATOM 1432 CG ASP D 24 87.494 -6.202 5.617 1.00 0.00 C ATOM 1433 OD1 ASP D 24 88.049 -5.763 4.624 1.00 0.00 O ATOM 1434 OD2 ASP D 24 87.238 -7.383 5.790 1.00 0.00 O ATOM 0 HA ASP D 24 88.996 -5.339 7.718 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.528 -5.733 7.485 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.440 -4.450 6.295 1.00 0.00 H new ATOM 1439 N PRO D 25 90.177 -4.308 5.697 1.00 0.00 N ATOM 1440 CA PRO D 25 90.960 -3.601 4.636 1.00 0.00 C ATOM 1441 C PRO D 25 90.250 -3.640 3.279 1.00 0.00 C ATOM 1442 O PRO D 25 90.868 -3.910 2.247 1.00 0.00 O ATOM 1443 CB PRO D 25 92.285 -4.375 4.602 1.00 0.00 C ATOM 1444 CG PRO D 25 91.916 -5.763 5.008 1.00 0.00 C ATOM 1445 CD PRO D 25 90.784 -5.615 6.029 1.00 0.00 C ATOM 0 HA PRO D 25 91.091 -2.540 4.847 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.730 -4.357 3.607 1.00 0.00 H new ATOM 0 HB3 PRO D 25 93.015 -3.942 5.286 1.00 0.00 H new ATOM 0 HG2 PRO D 25 91.592 -6.348 4.148 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.769 -6.282 5.444 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.060 -6.425 5.944 1.00 0.00 H new ATOM 0 HD3 PRO D 25 91.163 -5.632 7.051 1.00 0.00 H new ATOM 1453 N LEU D 26 88.975 -3.371 3.290 1.00 0.00 N ATOM 1454 CA LEU D 26 88.190 -3.373 2.060 1.00 0.00 C ATOM 1455 C LEU D 26 88.561 -2.182 1.175 1.00 0.00 C ATOM 1456 O LEU D 26 88.713 -2.320 -0.038 1.00 0.00 O ATOM 1457 CB LEU D 26 86.695 -3.317 2.404 1.00 0.00 C ATOM 1458 CG LEU D 26 85.840 -3.446 1.132 1.00 0.00 C ATOM 1459 CD1 LEU D 26 86.008 -4.846 0.510 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.367 -3.216 1.498 1.00 0.00 C ATOM 0 H LEU D 26 88.445 -3.146 4.132 1.00 0.00 H new ATOM 0 HA LEU D 26 88.407 -4.290 1.512 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.446 -4.119 3.099 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.467 -2.377 2.908 1.00 0.00 H new ATOM 0 HG LEU D 26 86.164 -2.703 0.403 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.396 -4.920 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU D 26 87.055 -5.006 0.251 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.692 -5.603 1.228 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.751 -3.305 0.603 1.00 0.00 H new ATOM 0 HD22 LEU D 26 84.053 -3.961 2.230 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.249 -2.219 1.922 1.00 0.00 H new ATOM 1472 N VAL D 27 88.683 -1.033 1.782 1.00 0.00 N ATOM 1473 CA VAL D 27 89.015 0.189 1.054 1.00 0.00 C ATOM 1474 C VAL D 27 90.461 0.190 0.558 1.00 0.00 C ATOM 1475 O VAL D 27 90.736 0.593 -0.573 1.00 0.00 O ATOM 1476 CB VAL D 27 88.786 1.397 1.961 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.835 2.679 1.128 1.00 0.00 C ATOM 1478 CG2 VAL D 27 87.414 1.278 2.630 1.00 0.00 C ATOM 0 H VAL D 27 88.559 -0.904 2.786 1.00 0.00 H new ATOM 0 HA VAL D 27 88.367 0.241 0.179 1.00 0.00 H new ATOM 0 HB VAL D 27 89.563 1.430 2.724 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.672 3.540 1.776 1.00 0.00 H new ATOM 0 HG12 VAL D 27 89.811 2.765 0.649 1.00 0.00 H new ATOM 0 HG13 VAL D 27 88.058 2.647 0.364 1.00 0.00 H new ATOM 0 HG21 VAL D 27 87.249 2.139 3.278 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.638 1.245 1.865 1.00 0.00 H new ATOM 0 HG23 VAL D 27 87.377 0.365 3.224 1.00 0.00 H new ATOM 1488 N VAL D 28 91.363 -0.258 1.387 1.00 0.00 N ATOM 1489 CA VAL D 28 92.772 -0.302 1.006 1.00 0.00 C ATOM 1490 C VAL D 28 93.004 -1.386 -0.043 1.00 0.00 C ATOM 1491 O VAL D 28 93.792 -1.208 -0.971 1.00 0.00 O ATOM 1492 CB VAL D 28 93.647 -0.556 2.233 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.275 -1.894 2.863 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.119 -0.583 1.814 1.00 0.00 C ATOM 0 H VAL D 28 91.163 -0.599 2.327 1.00 0.00 H new ATOM 0 HA VAL D 28 93.046 0.662 0.577 1.00 0.00 H new ATOM 0 HB VAL D 28 93.488 0.241 2.959 1.00 0.00 H new ATOM 0 HG11 VAL D 28 93.901 -2.071 3.737 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.228 -1.876 3.164 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.430 -2.693 2.138 1.00 0.00 H new ATOM 0 HG21 VAL D 28 95.743 -0.764 2.689 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.275 -1.379 1.086 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.388 0.375 1.368 1.00 0.00 H new ATOM 1504 N ALA D 29 92.326 -2.488 0.113 1.00 0.00 N ATOM 1505 CA ALA D 29 92.462 -3.601 -0.823 1.00 0.00 C ATOM 1506 C ALA D 29 92.318 -3.115 -2.264 1.00 0.00 C ATOM 1507 O ALA D 29 92.973 -3.629 -3.170 1.00 0.00 O ATOM 1508 CB ALA D 29 91.398 -4.662 -0.532 1.00 0.00 C ATOM 0 H ALA D 29 91.669 -2.653 0.876 1.00 0.00 H new ATOM 0 HA ALA D 29 93.454 -4.036 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.507 -5.488 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.522 -5.032 0.486 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.407 -4.222 -0.640 1.00 0.00 H new ATOM 1514 N ALA D 30 91.470 -2.143 -2.465 1.00 0.00 N ATOM 1515 CA ALA D 30 91.247 -1.598 -3.802 1.00 0.00 C ATOM 1516 C ALA D 30 92.521 -0.959 -4.353 1.00 0.00 C ATOM 1517 O ALA D 30 92.734 -0.921 -5.565 1.00 0.00 O ATOM 1518 CB ALA D 30 90.130 -0.553 -3.758 1.00 0.00 C ATOM 0 H ALA D 30 90.917 -1.704 -1.729 1.00 0.00 H new ATOM 0 HA ALA D 30 90.958 -2.418 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.969 -0.151 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA D 30 89.211 -1.018 -3.401 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.414 0.255 -3.083 1.00 0.00 H new ATOM 1524 N SER D 31 93.342 -0.458 -3.471 1.00 0.00 N ATOM 1525 CA SER D 31 94.587 0.192 -3.875 1.00 0.00 C ATOM 1526 C SER D 31 95.409 -0.711 -4.793 1.00 0.00 C ATOM 1527 O SER D 31 95.970 -0.251 -5.787 1.00 0.00 O ATOM 1528 CB SER D 31 95.415 0.545 -2.639 1.00 0.00 C ATOM 1529 OG SER D 31 96.597 1.222 -3.044 1.00 0.00 O ATOM 0 H SER D 31 93.183 -0.481 -2.464 1.00 0.00 H new ATOM 0 HA SER D 31 94.330 1.100 -4.421 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.834 1.175 -1.965 1.00 0.00 H new ATOM 0 HB3 SER D 31 95.671 -0.360 -2.088 1.00 0.00 H new ATOM 0 HG SER D 31 97.130 1.451 -2.254 1.00 0.00 H new ATOM 1535 N ILE D 32 95.481 -1.971 -4.460 1.00 0.00 N ATOM 1536 CA ILE D 32 96.247 -2.922 -5.261 1.00 0.00 C ATOM 1537 C ILE D 32 95.782 -2.892 -6.718 1.00 0.00 C ATOM 1538 O ILE D 32 96.588 -3.016 -7.637 1.00 0.00 O ATOM 1539 CB ILE D 32 96.093 -4.338 -4.681 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.880 -4.444 -3.367 1.00 0.00 C ATOM 1541 CG2 ILE D 32 96.641 -5.375 -5.672 1.00 0.00 C ATOM 1542 CD1 ILE D 32 96.263 -3.533 -2.299 1.00 0.00 C ATOM 0 H ILE D 32 95.024 -2.375 -3.643 1.00 0.00 H new ATOM 0 HA ILE D 32 97.299 -2.639 -5.231 1.00 0.00 H new ATOM 0 HB ILE D 32 95.036 -4.530 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE D 32 96.879 -5.477 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE D 32 97.920 -4.165 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE D 32 96.528 -6.375 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE D 32 96.088 -5.310 -6.609 1.00 0.00 H new ATOM 0 HG23 ILE D 32 97.697 -5.178 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE D 32 96.832 -3.620 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE D 32 96.287 -2.499 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE D 32 95.230 -3.831 -2.119 1.00 0.00 H new ATOM 1554 N ILE D 33 94.507 -2.733 -6.920 1.00 0.00 N ATOM 1555 CA ILE D 33 93.964 -2.686 -8.272 1.00 0.00 C ATOM 1556 C ILE D 33 94.357 -1.375 -8.960 1.00 0.00 C ATOM 1557 O ILE D 33 94.483 -1.319 -10.183 1.00 0.00 O ATOM 1558 CB ILE D 33 92.430 -2.843 -8.234 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.070 -4.148 -7.486 1.00 0.00 C ATOM 1560 CG2 ILE D 33 91.873 -2.893 -9.671 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.623 -4.566 -7.781 1.00 0.00 C ATOM 0 H ILE D 33 93.815 -2.633 -6.178 1.00 0.00 H new ATOM 0 HA ILE D 33 94.382 -3.512 -8.847 1.00 0.00 H new ATOM 0 HB ILE D 33 91.990 -1.992 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.751 -4.944 -7.786 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.200 -4.005 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE D 33 90.789 -3.004 -9.637 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.127 -1.970 -10.192 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.308 -3.740 -10.201 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.393 -5.486 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE D 33 89.943 -3.778 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.503 -4.731 -8.852 1.00 0.00 H new ATOM 1573 N GLY D 34 94.525 -0.338 -8.184 1.00 0.00 N ATOM 1574 CA GLY D 34 94.874 0.972 -8.730 1.00 0.00 C ATOM 1575 C GLY D 34 96.286 1.019 -9.316 1.00 0.00 C ATOM 1576 O GLY D 34 96.479 1.501 -10.432 1.00 0.00 O ATOM 0 H GLY D 34 94.429 -0.362 -7.169 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.156 1.239 -9.505 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.788 1.722 -7.944 1.00 0.00 H new ATOM 1580 N ILE D 35 97.254 0.545 -8.579 1.00 0.00 N ATOM 1581 CA ILE D 35 98.635 0.569 -9.063 1.00 0.00 C ATOM 1582 C ILE D 35 98.798 -0.356 -10.266 1.00 0.00 C ATOM 1583 O ILE D 35 99.600 -0.090 -11.161 1.00 0.00 O ATOM 1584 CB ILE D 35 99.603 0.163 -7.940 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.409 -1.333 -7.566 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.331 1.048 -6.715 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.457 -2.210 -8.270 1.00 0.00 C ATOM 0 H ILE D 35 97.130 0.140 -7.651 1.00 0.00 H new ATOM 0 HA ILE D 35 98.872 1.586 -9.376 1.00 0.00 H new ATOM 0 HB ILE D 35 100.630 0.298 -8.279 1.00 0.00 H new ATOM 0 HG12 ILE D 35 99.491 -1.456 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.407 -1.657 -7.849 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.010 0.772 -5.909 1.00 0.00 H new ATOM 0 HG22 ILE D 35 99.488 2.094 -6.980 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.301 0.907 -6.386 1.00 0.00 H new ATOM 0 HD11 ILE D 35 100.303 -3.253 -7.994 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.356 -2.101 -9.350 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.456 -1.898 -7.966 1.00 0.00 H new ATOM 1599 N LEU D 36 98.047 -1.424 -10.280 1.00 0.00 N ATOM 1600 CA LEU D 36 98.123 -2.377 -11.381 1.00 0.00 C ATOM 1601 C LEU D 36 97.989 -1.649 -12.720 1.00 0.00 C ATOM 1602 O LEU D 36 98.630 -2.011 -13.703 1.00 0.00 O ATOM 1603 CB LEU D 36 97.016 -3.436 -11.242 1.00 0.00 C ATOM 1604 CG LEU D 36 97.385 -4.707 -12.042 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.248 -5.642 -11.184 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.107 -5.449 -12.451 1.00 0.00 C ATOM 0 H LEU D 36 97.376 -1.665 -9.551 1.00 0.00 H new ATOM 0 HA LEU D 36 99.092 -2.874 -11.347 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.874 -3.688 -10.191 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.070 -3.033 -11.603 1.00 0.00 H new ATOM 0 HG LEU D 36 97.944 -4.410 -12.929 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.501 -6.533 -11.759 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.163 -5.127 -10.892 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.694 -5.931 -10.291 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.370 -6.344 -13.015 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.550 -5.733 -11.558 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.491 -4.798 -13.071 1.00 0.00 H new ATOM 1618 N HIS D 37 97.150 -0.654 -12.757 1.00 0.00 N ATOM 1619 CA HIS D 37 96.930 0.103 -13.987 1.00 0.00 C ATOM 1620 C HIS D 37 98.224 0.732 -14.508 1.00 0.00 C ATOM 1621 O HIS D 37 98.457 0.769 -15.716 1.00 0.00 O ATOM 1622 CB HIS D 37 95.909 1.213 -13.732 1.00 0.00 C ATOM 1623 CG HIS D 37 94.688 0.631 -13.081 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.666 1.425 -12.586 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.313 -0.665 -12.832 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.734 0.606 -12.068 1.00 0.00 C ATOM 1627 NE2 HIS D 37 93.079 -0.679 -12.193 1.00 0.00 N ATOM 0 H HIS D 37 96.601 -0.337 -11.958 1.00 0.00 H new ATOM 0 HA HIS D 37 96.560 -0.594 -14.739 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.344 1.981 -13.093 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.638 1.695 -14.671 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.628 2.444 -12.610 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.889 -1.541 -13.093 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.818 0.945 -11.607 1.00 0.00 H new ATOM 1636 N PHE D 38 99.029 1.247 -13.618 1.00 0.00 N ATOM 1637 CA PHE D 38 100.275 1.909 -14.007 1.00 0.00 C ATOM 1638 C PHE D 38 101.239 0.978 -14.738 1.00 0.00 C ATOM 1639 O PHE D 38 101.786 1.344 -15.778 1.00 0.00 O ATOM 1640 CB PHE D 38 100.961 2.474 -12.761 1.00 0.00 C ATOM 1641 CG PHE D 38 102.190 3.251 -13.166 1.00 0.00 C ATOM 1642 CD1 PHE D 38 102.082 4.605 -13.505 1.00 0.00 C ATOM 1643 CD2 PHE D 38 103.438 2.619 -13.200 1.00 0.00 C ATOM 1644 CE1 PHE D 38 103.223 5.326 -13.879 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.579 3.339 -13.574 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.471 4.693 -13.914 1.00 0.00 C ATOM 0 H PHE D 38 98.856 1.228 -12.613 1.00 0.00 H new ATOM 0 HA PHE D 38 100.012 2.708 -14.700 1.00 0.00 H new ATOM 0 HB2 PHE D 38 100.273 3.121 -12.217 1.00 0.00 H new ATOM 0 HB3 PHE D 38 101.237 1.663 -12.087 1.00 0.00 H new ATOM 0 HD1 PHE D 38 101.119 5.093 -13.478 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.521 1.575 -12.937 1.00 0.00 H new ATOM 0 HE1 PHE D 38 103.140 6.371 -14.140 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.542 2.850 -13.600 1.00 0.00 H new ATOM 0 HZ PHE D 38 105.351 5.249 -14.203 1.00 0.00 H new ATOM 1656 N ILE D 39 101.468 -0.190 -14.206 1.00 0.00 N ATOM 1657 CA ILE D 39 102.401 -1.115 -14.841 1.00 0.00 C ATOM 1658 C ILE D 39 101.934 -1.504 -16.243 1.00 0.00 C ATOM 1659 O ILE D 39 102.742 -1.578 -17.165 1.00 0.00 O ATOM 1660 CB ILE D 39 102.597 -2.369 -13.979 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.241 -2.896 -13.513 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.447 -2.025 -12.755 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.436 -4.217 -12.766 1.00 0.00 C ATOM 0 H ILE D 39 101.036 -0.532 -13.348 1.00 0.00 H new ATOM 0 HA ILE D 39 103.358 -0.602 -14.934 1.00 0.00 H new ATOM 0 HB ILE D 39 103.100 -3.132 -14.574 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.759 -2.166 -12.863 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.583 -3.044 -14.369 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.584 -2.918 -12.145 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.419 -1.654 -13.080 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.944 -1.257 -12.167 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.469 -4.593 -12.433 1.00 0.00 H new ATOM 0 HD12 ILE D 39 101.900 -4.946 -13.431 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.079 -4.054 -11.901 1.00 0.00 H new ATOM 1675 N ALA D 40 100.662 -1.754 -16.406 1.00 0.00 N ATOM 1676 CA ALA D 40 100.140 -2.136 -17.715 1.00 0.00 C ATOM 1677 C ALA D 40 100.162 -0.952 -18.683 1.00 0.00 C ATOM 1678 O ALA D 40 100.445 -1.114 -19.871 1.00 0.00 O ATOM 1679 CB ALA D 40 98.709 -2.658 -17.569 1.00 0.00 C ATOM 0 H ALA D 40 99.964 -1.704 -15.664 1.00 0.00 H new ATOM 0 HA ALA D 40 100.777 -2.922 -18.121 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.324 -2.942 -18.548 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.704 -3.527 -16.911 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.079 -1.877 -17.143 1.00 0.00 H new ATOM 1685 N TRP D 41 99.858 0.213 -18.177 1.00 0.00 N ATOM 1686 CA TRP D 41 99.832 1.422 -18.998 1.00 0.00 C ATOM 1687 C TRP D 41 101.111 1.547 -19.822 1.00 0.00 C ATOM 1688 O TRP D 41 101.099 2.095 -20.925 1.00 0.00 O ATOM 1689 CB TRP D 41 99.687 2.649 -18.089 1.00 0.00 C ATOM 1690 CG TRP D 41 99.199 3.830 -18.873 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.915 4.507 -19.806 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.905 4.490 -18.795 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.134 5.536 -20.307 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.889 5.566 -19.714 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.751 4.259 -18.023 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.770 6.383 -19.860 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.623 5.083 -18.168 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.633 6.141 -19.084 1.00 0.00 C ATOM 0 H TRP D 41 99.622 0.364 -17.196 1.00 0.00 H new ATOM 0 HA TRP D 41 98.985 1.361 -19.682 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.990 2.429 -17.280 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.647 2.883 -17.628 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.927 4.281 -20.108 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.442 6.191 -21.026 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.733 3.444 -17.315 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.781 7.198 -20.568 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.743 4.899 -17.569 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.762 6.771 -19.191 1.00 0.00 H new ATOM 1709 N THR D 42 102.188 1.044 -19.291 1.00 0.00 N ATOM 1710 CA THR D 42 103.468 1.109 -19.989 1.00 0.00 C ATOM 1711 C THR D 42 103.436 0.295 -21.281 1.00 0.00 C ATOM 1712 O THR D 42 104.073 0.663 -22.268 1.00 0.00 O ATOM 1713 CB THR D 42 104.592 0.591 -19.087 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.310 -0.745 -18.701 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.696 1.473 -17.842 1.00 0.00 C ATOM 0 H THR D 42 102.220 0.583 -18.382 1.00 0.00 H new ATOM 0 HA THR D 42 103.655 2.153 -20.241 1.00 0.00 H new ATOM 0 HB THR D 42 105.537 0.620 -19.630 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.751 -0.742 -17.896 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.496 1.104 -17.200 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.914 2.499 -18.140 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.752 1.446 -17.297 1.00 0.00 H new ATOM 1723 N ILE D 43 102.712 -0.794 -21.275 1.00 0.00 N ATOM 1724 CA ILE D 43 102.626 -1.642 -22.462 1.00 0.00 C ATOM 1725 C ILE D 43 101.818 -0.950 -23.564 1.00 0.00 C ATOM 1726 O ILE D 43 102.271 -0.850 -24.703 1.00 0.00 O ATOM 1727 CB ILE D 43 101.973 -2.986 -22.088 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.980 -3.850 -21.316 1.00 0.00 C ATOM 1729 CG2 ILE D 43 101.541 -3.742 -23.352 1.00 0.00 C ATOM 1730 CD1 ILE D 43 103.467 -3.106 -20.071 1.00 0.00 C ATOM 0 H ILE D 43 102.173 -1.123 -20.474 1.00 0.00 H new ATOM 0 HA ILE D 43 103.632 -1.822 -22.840 1.00 0.00 H new ATOM 0 HB ILE D 43 101.098 -2.786 -21.470 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.515 -4.793 -21.027 1.00 0.00 H new ATOM 0 HG13 ILE D 43 103.827 -4.095 -21.957 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.082 -4.689 -23.070 1.00 0.00 H new ATOM 0 HG22 ILE D 43 100.821 -3.141 -23.907 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.413 -3.934 -23.977 1.00 0.00 H new ATOM 0 HD11 ILE D 43 104.181 -3.728 -19.531 1.00 0.00 H new ATOM 0 HD12 ILE D 43 103.950 -2.175 -20.369 1.00 0.00 H new ATOM 0 HD13 ILE D 43 102.618 -2.884 -19.425 1.00 0.00 H new ATOM 1742 N GLY D 44 100.639 -0.498 -23.230 1.00 0.00 N ATOM 1743 CA GLY D 44 99.778 0.164 -24.206 1.00 0.00 C ATOM 1744 C GLY D 44 100.520 1.281 -24.932 1.00 0.00 C ATOM 1745 O GLY D 44 100.217 1.597 -26.083 1.00 0.00 O ATOM 0 H GLY D 44 100.242 -0.570 -22.293 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.417 -0.566 -24.930 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.902 0.574 -23.703 1.00 0.00 H new ATOM 1749 N HIS D 45 101.466 1.864 -24.258 1.00 0.00 N ATOM 1750 CA HIS D 45 102.253 2.951 -24.819 1.00 0.00 C ATOM 1751 C HIS D 45 102.930 2.537 -26.127 1.00 0.00 C ATOM 1752 O HIS D 45 103.240 3.384 -26.964 1.00 0.00 O ATOM 1753 CB HIS D 45 103.309 3.392 -23.800 1.00 0.00 C ATOM 1754 CG HIS D 45 103.771 4.794 -24.107 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.102 5.103 -24.338 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.085 5.978 -24.219 1.00 0.00 C ATOM 1757 CE1 HIS D 45 105.174 6.427 -24.574 1.00 0.00 C ATOM 1758 NE2 HIS D 45 103.973 7.007 -24.513 1.00 0.00 N ATOM 0 H HIS D 45 101.723 1.609 -23.304 1.00 0.00 H new ATOM 0 HA HIS D 45 101.582 3.781 -25.041 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.894 3.350 -22.793 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.157 2.708 -23.824 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.018 6.093 -24.097 1.00 0.00 H new ATOM 0 HE1 HIS D 45 106.092 6.955 -24.787 1.00 0.00 H new ATOM 0 HE2 HIS D 45 103.754 7.993 -24.652 1.00 0.00 H new ATOM 1767 N LEU D 46 103.192 1.266 -26.280 1.00 0.00 N ATOM 1768 CA LEU D 46 103.885 0.785 -27.473 1.00 0.00 C ATOM 1769 C LEU D 46 103.293 1.392 -28.746 1.00 0.00 C ATOM 1770 O LEU D 46 104.011 1.600 -29.725 1.00 0.00 O ATOM 1771 CB LEU D 46 103.841 -0.763 -27.522 1.00 0.00 C ATOM 1772 CG LEU D 46 102.515 -1.290 -28.147 1.00 0.00 C ATOM 1773 CD1 LEU D 46 102.698 -1.593 -29.644 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.090 -2.590 -27.447 1.00 0.00 C ATOM 0 H LEU D 46 102.944 0.541 -25.607 1.00 0.00 H new ATOM 0 HA LEU D 46 104.926 1.104 -27.418 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.687 -1.131 -28.102 1.00 0.00 H new ATOM 0 HB3 LEU D 46 103.949 -1.161 -26.513 1.00 0.00 H new ATOM 0 HG LEU D 46 101.756 -0.518 -28.020 1.00 0.00 H new ATOM 0 HD11 LEU D 46 101.759 -1.960 -30.058 1.00 0.00 H new ATOM 0 HD12 LEU D 46 102.994 -0.683 -30.166 1.00 0.00 H new ATOM 0 HD13 LEU D 46 103.471 -2.351 -29.770 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.162 -2.954 -27.888 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.870 -3.341 -27.570 1.00 0.00 H new ATOM 0 HD23 LEU D 46 101.936 -2.398 -26.385 1.00 0.00 H new