USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 694 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 Single : A 63 GLN :FLIP amide:sc= -4.6! C(o=-5.3!,f=-4.6!) USER MOD Single : A 66 HIS :FLIP no HD1:sc= -0.462 F(o=-1.7!,f=-0.46) USER MOD Single : A 67 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.15) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -170:sc= -1 USER MOD Single : A 81 MET CE :methyl -143:sc= -0.603 (180deg=-2.96!) USER MOD Single : A 87 THR OG1 : rot 77:sc= -1.16 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0489 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN : amide:sc= 0.474 K(o=0.47,f=-4.2!) USER MOD Single : B 66 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.19) USER MOD Single : B 67 HIS :FLIP no HD1:sc= -1.31 F(o=-2.9!,f=-1.3) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot -110:sc= -3.16 USER MOD Single : B 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 THR OG1 : rot -20:sc= -1.93! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 62 -33.428 -11.961 -6.396 1.00 18.74 N ATOM 2 CA VAL A 62 -33.982 -10.972 -5.429 1.00 18.11 C ATOM 3 C VAL A 62 -32.927 -9.903 -5.134 1.00 17.30 C ATOM 4 O VAL A 62 -32.196 -9.988 -4.167 1.00 17.26 O ATOM 5 CB VAL A 62 -34.361 -11.688 -4.130 1.00 18.42 C ATOM 6 CG1 VAL A 62 -34.737 -10.654 -3.067 1.00 18.58 C ATOM 7 CG2 VAL A 62 -35.556 -12.610 -4.388 1.00 18.59 C ATOM 0 HA VAL A 62 -34.867 -10.501 -5.856 1.00 18.11 H new ATOM 0 HB VAL A 62 -33.514 -12.277 -3.779 1.00 18.42 H new ATOM 0 HG11 VAL A 62 -35.007 -11.164 -2.142 1.00 18.58 H new ATOM 0 HG12 VAL A 62 -33.888 -9.995 -2.884 1.00 18.58 H new ATOM 0 HG13 VAL A 62 -35.585 -10.064 -3.417 1.00 18.58 H new ATOM 0 HG21 VAL A 62 -35.827 -13.121 -3.464 1.00 18.59 H new ATOM 0 HG22 VAL A 62 -36.402 -12.019 -4.738 1.00 18.59 H new ATOM 0 HG23 VAL A 62 -35.290 -13.347 -5.146 1.00 18.59 H new ATOM 19 N GLN A 63 -32.838 -8.898 -5.963 1.00 16.78 N ATOM 20 CA GLN A 63 -31.826 -7.828 -5.730 1.00 16.11 C ATOM 21 C GLN A 63 -32.541 -6.506 -5.440 1.00 15.69 C ATOM 22 O GLN A 63 -31.981 -5.440 -5.593 1.00 15.68 O ATOM 23 CB GLN A 63 -30.952 -7.676 -6.983 1.00 16.10 C ATOM 24 CG GLN A 63 -29.521 -7.252 -6.608 1.00 15.49 C ATOM 25 CD GLN A 63 -29.557 -6.232 -5.464 1.00 15.09 C ATOM 26 OE1 GLN A 63 -29.617 -6.652 -4.231 1.00 15.39 O flip ATOM 27 NE2 GLN A 63 -29.529 -5.041 -5.698 1.00 14.56 N flip ATOM 0 H GLN A 63 -33.421 -8.772 -6.790 1.00 16.78 H new ATOM 0 HA GLN A 63 -31.199 -8.094 -4.879 1.00 16.11 H new ATOM 0 HB2 GLN A 63 -30.925 -8.619 -7.528 1.00 16.10 H new ATOM 0 HB3 GLN A 63 -31.392 -6.935 -7.650 1.00 16.10 H new ATOM 0 HG2 GLN A 63 -28.941 -8.125 -6.309 1.00 15.49 H new ATOM 0 HG3 GLN A 63 -29.022 -6.820 -7.475 1.00 15.49 H new ATOM 0 HE21 GLN A 63 -29.482 -4.712 -6.662 1.00 14.56 H new ATOM 0 HE22 GLN A 63 -29.552 -4.370 -4.930 1.00 14.56 H new ATOM 36 N LEU A 64 -33.773 -6.569 -5.019 1.00 15.49 N ATOM 37 CA LEU A 64 -34.523 -5.316 -4.715 1.00 15.26 C ATOM 38 C LEU A 64 -34.461 -4.375 -5.920 1.00 14.77 C ATOM 39 O LEU A 64 -35.325 -4.385 -6.773 1.00 14.94 O ATOM 40 CB LEU A 64 -33.896 -4.626 -3.503 1.00 15.58 C ATOM 41 CG LEU A 64 -34.642 -5.040 -2.231 1.00 15.97 C ATOM 42 CD1 LEU A 64 -36.070 -4.493 -2.271 1.00 16.71 C ATOM 43 CD2 LEU A 64 -34.684 -6.568 -2.137 1.00 16.05 C ATOM 0 H LEU A 64 -34.294 -7.433 -4.872 1.00 15.49 H new ATOM 0 HA LEU A 64 -35.562 -5.563 -4.498 1.00 15.26 H new ATOM 0 HB2 LEU A 64 -32.843 -4.896 -3.423 1.00 15.58 H new ATOM 0 HB3 LEU A 64 -33.939 -3.544 -3.626 1.00 15.58 H new ATOM 0 HG LEU A 64 -34.124 -4.636 -1.361 1.00 15.97 H new ATOM 0 HD11 LEU A 64 -36.599 -4.789 -1.365 1.00 16.71 H new ATOM 0 HD12 LEU A 64 -36.041 -3.405 -2.335 1.00 16.71 H new ATOM 0 HD13 LEU A 64 -36.589 -4.894 -3.141 1.00 16.71 H new ATOM 0 HD21 LEU A 64 -35.215 -6.862 -1.232 1.00 16.05 H new ATOM 0 HD22 LEU A 64 -35.200 -6.972 -3.008 1.00 16.05 H new ATOM 0 HD23 LEU A 64 -33.667 -6.959 -2.104 1.00 16.05 H new ATOM 55 N ALA A 65 -33.442 -3.560 -5.998 1.00 14.32 N ATOM 56 CA ALA A 65 -33.329 -2.622 -7.150 1.00 14.03 C ATOM 57 C ALA A 65 -32.297 -1.535 -6.838 1.00 13.34 C ATOM 58 O ALA A 65 -31.746 -0.918 -7.729 1.00 13.29 O ATOM 59 CB ALA A 65 -34.688 -1.974 -7.416 1.00 14.31 C ATOM 0 H ALA A 65 -32.686 -3.504 -5.315 1.00 14.32 H new ATOM 0 HA ALA A 65 -33.010 -3.176 -8.033 1.00 14.03 H new ATOM 0 HB1 ALA A 65 -34.605 -1.288 -8.259 1.00 14.31 H new ATOM 0 HB2 ALA A 65 -35.421 -2.747 -7.648 1.00 14.31 H new ATOM 0 HB3 ALA A 65 -35.009 -1.425 -6.531 1.00 14.31 H new ATOM 65 N HIS A 66 -32.029 -1.289 -5.583 1.00 12.98 N ATOM 66 CA HIS A 66 -31.034 -0.237 -5.228 1.00 12.48 C ATOM 67 C HIS A 66 -29.713 -0.894 -4.821 1.00 11.62 C ATOM 68 O HIS A 66 -29.410 -2.002 -5.218 1.00 11.76 O ATOM 69 CB HIS A 66 -31.570 0.597 -4.063 1.00 12.81 C ATOM 70 CG HIS A 66 -33.043 0.832 -4.248 1.00 13.36 C ATOM 71 ND1 HIS A 66 -34.118 -0.021 -4.217 1.00 13.57 N flip ATOM 72 CD2 HIS A 66 -33.566 2.090 -4.500 1.00 13.93 C flip ATOM 73 CE1 HIS A 66 -35.291 0.693 -4.446 1.00 14.23 C flip ATOM 74 NE2 HIS A 66 -34.901 1.961 -4.610 1.00 14.47 N flip ATOM 0 H HIS A 66 -32.455 -1.770 -4.791 1.00 12.98 H new ATOM 0 HA HIS A 66 -30.865 0.407 -6.091 1.00 12.48 H new ATOM 0 HB2 HIS A 66 -31.389 0.081 -3.120 1.00 12.81 H new ATOM 0 HB3 HIS A 66 -31.043 1.550 -4.012 1.00 12.81 H new ATOM 0 HD2 HIS A 66 -33.004 3.008 -4.592 1.00 13.93 H new ATOM 0 HE1 HIS A 66 -36.299 0.306 -4.483 1.00 14.23 H new ATOM 0 HE2 HIS A 66 -35.538 2.736 -4.796 1.00 14.47 H new ATOM 82 N HIS A 67 -28.921 -0.217 -4.034 1.00 10.90 N ATOM 83 CA HIS A 67 -27.619 -0.798 -3.601 1.00 10.21 C ATOM 84 C HIS A 67 -26.647 -0.814 -4.783 1.00 9.43 C ATOM 85 O HIS A 67 -27.050 -0.797 -5.930 1.00 9.32 O ATOM 86 CB HIS A 67 -27.837 -2.228 -3.101 1.00 10.37 C ATOM 87 CG HIS A 67 -27.410 -2.326 -1.663 1.00 10.53 C ATOM 88 ND1 HIS A 67 -26.896 -3.495 -1.123 1.00 10.58 N ATOM 89 CD2 HIS A 67 -27.413 -1.410 -0.641 1.00 10.88 C ATOM 90 CE1 HIS A 67 -26.614 -3.254 0.171 1.00 10.97 C ATOM 91 NE2 HIS A 67 -26.911 -1.997 0.516 1.00 11.15 N ATOM 0 H HIS A 67 -29.121 0.715 -3.672 1.00 10.90 H new ATOM 0 HA HIS A 67 -27.203 -0.192 -2.797 1.00 10.21 H new ATOM 0 HB2 HIS A 67 -28.887 -2.503 -3.199 1.00 10.37 H new ATOM 0 HB3 HIS A 67 -27.266 -2.929 -3.710 1.00 10.37 H new ATOM 0 HD2 HIS A 67 -27.753 -0.388 -0.723 1.00 10.88 H new ATOM 0 HE1 HIS A 67 -26.199 -3.986 0.848 1.00 10.97 H new ATOM 0 HE2 HIS A 67 -26.795 -1.562 1.431 1.00 11.15 H new ATOM 99 N PHE A 68 -25.370 -0.845 -4.513 1.00 9.11 N ATOM 100 CA PHE A 68 -24.374 -0.862 -5.623 1.00 8.55 C ATOM 101 C PHE A 68 -23.490 -2.104 -5.501 1.00 7.46 C ATOM 102 O PHE A 68 -23.205 -2.773 -6.476 1.00 7.39 O ATOM 103 CB PHE A 68 -23.502 0.393 -5.547 1.00 8.98 C ATOM 104 CG PHE A 68 -24.366 1.589 -5.223 1.00 9.76 C ATOM 105 CD1 PHE A 68 -25.558 1.802 -5.925 1.00 10.19 C ATOM 106 CD2 PHE A 68 -23.974 2.484 -4.220 1.00 10.29 C ATOM 107 CE1 PHE A 68 -26.359 2.910 -5.622 1.00 11.10 C ATOM 108 CE2 PHE A 68 -24.773 3.591 -3.919 1.00 11.19 C ATOM 109 CZ PHE A 68 -25.967 3.805 -4.620 1.00 11.57 C ATOM 0 H PHE A 68 -24.974 -0.859 -3.573 1.00 9.11 H new ATOM 0 HA PHE A 68 -24.899 -0.883 -6.578 1.00 8.55 H new ATOM 0 HB2 PHE A 68 -22.734 0.269 -4.784 1.00 8.98 H new ATOM 0 HB3 PHE A 68 -22.987 0.549 -6.495 1.00 8.98 H new ATOM 0 HD1 PHE A 68 -25.860 1.113 -6.700 1.00 10.19 H new ATOM 0 HD2 PHE A 68 -23.054 2.319 -3.679 1.00 10.29 H new ATOM 0 HE1 PHE A 68 -27.280 3.074 -6.162 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -24.470 4.281 -3.146 1.00 11.19 H new ATOM 0 HZ PHE A 68 -26.584 4.660 -4.387 1.00 11.57 H new ATOM 119 N SER A 69 -23.049 -2.419 -4.313 1.00 6.86 N ATOM 120 CA SER A 69 -22.181 -3.617 -4.135 1.00 6.01 C ATOM 121 C SER A 69 -21.952 -3.867 -2.642 1.00 5.07 C ATOM 122 O SER A 69 -22.571 -3.253 -1.797 1.00 5.28 O ATOM 123 CB SER A 69 -20.836 -3.378 -4.822 1.00 6.54 C ATOM 124 OG SER A 69 -20.414 -4.578 -5.456 1.00 7.08 O ATOM 0 H SER A 69 -23.252 -1.899 -3.459 1.00 6.86 H new ATOM 0 HA SER A 69 -22.668 -4.486 -4.578 1.00 6.01 H new ATOM 0 HB2 SER A 69 -20.927 -2.577 -5.556 1.00 6.54 H new ATOM 0 HB3 SER A 69 -20.093 -3.058 -4.091 1.00 6.54 H new ATOM 0 HG SER A 69 -19.553 -4.428 -5.899 1.00 7.08 H new ATOM 130 N GLU A 70 -21.065 -4.766 -2.312 1.00 4.41 N ATOM 131 CA GLU A 70 -20.796 -5.058 -0.876 1.00 3.84 C ATOM 132 C GLU A 70 -19.666 -4.152 -0.375 1.00 2.84 C ATOM 133 O GLU A 70 -18.777 -3.802 -1.124 1.00 3.00 O ATOM 134 CB GLU A 70 -20.381 -6.523 -0.722 1.00 4.55 C ATOM 135 CG GLU A 70 -21.624 -7.413 -0.751 1.00 5.41 C ATOM 136 CD GLU A 70 -22.247 -7.468 0.646 1.00 6.00 C ATOM 137 OE1 GLU A 70 -21.579 -7.940 1.551 1.00 6.28 O ATOM 138 OE2 GLU A 70 -23.378 -7.036 0.786 1.00 6.49 O ATOM 0 H GLU A 70 -20.515 -5.311 -2.976 1.00 4.41 H new ATOM 0 HA GLU A 70 -21.698 -4.873 -0.292 1.00 3.84 H new ATOM 0 HB2 GLU A 70 -19.700 -6.805 -1.525 1.00 4.55 H new ATOM 0 HB3 GLU A 70 -19.843 -6.663 0.216 1.00 4.55 H new ATOM 0 HG2 GLU A 70 -22.347 -7.023 -1.468 1.00 5.41 H new ATOM 0 HG3 GLU A 70 -21.358 -8.417 -1.081 1.00 5.41 H new ATOM 145 N PRO A 71 -19.737 -3.799 0.886 1.00 2.18 N ATOM 146 CA PRO A 71 -18.726 -2.930 1.517 1.00 1.51 C ATOM 147 C PRO A 71 -17.351 -3.604 1.476 1.00 1.23 C ATOM 148 O PRO A 71 -16.335 -2.986 1.743 1.00 1.13 O ATOM 149 CB PRO A 71 -19.202 -2.763 2.966 1.00 1.87 C ATOM 150 CG PRO A 71 -20.512 -3.577 3.130 1.00 2.49 C ATOM 151 CD PRO A 71 -20.827 -4.235 1.777 1.00 2.65 C ATOM 0 HA PRO A 71 -18.624 -1.972 1.007 1.00 1.51 H new ATOM 0 HB2 PRO A 71 -18.442 -3.118 3.661 1.00 1.87 H new ATOM 0 HB3 PRO A 71 -19.375 -1.711 3.193 1.00 1.87 H new ATOM 0 HG2 PRO A 71 -20.397 -4.334 3.906 1.00 2.49 H new ATOM 0 HG3 PRO A 71 -21.330 -2.926 3.438 1.00 2.49 H new ATOM 0 HD2 PRO A 71 -20.858 -5.321 1.863 1.00 2.65 H new ATOM 0 HD3 PRO A 71 -21.799 -3.917 1.399 1.00 2.65 H new ATOM 159 N GLU A 72 -17.308 -4.865 1.143 1.00 1.29 N ATOM 160 CA GLU A 72 -16.001 -5.574 1.082 1.00 1.13 C ATOM 161 C GLU A 72 -14.984 -4.697 0.351 1.00 1.00 C ATOM 162 O GLU A 72 -13.821 -4.656 0.701 1.00 0.97 O ATOM 163 CB GLU A 72 -16.171 -6.897 0.332 1.00 1.32 C ATOM 164 CG GLU A 72 -15.847 -8.060 1.272 1.00 1.94 C ATOM 165 CD GLU A 72 -15.687 -9.345 0.457 1.00 2.47 C ATOM 166 OE1 GLU A 72 -16.090 -9.348 -0.694 1.00 2.89 O ATOM 167 OE2 GLU A 72 -15.164 -10.305 1.000 1.00 3.01 O ATOM 0 H GLU A 72 -18.122 -5.434 0.911 1.00 1.29 H new ATOM 0 HA GLU A 72 -15.647 -5.776 2.093 1.00 1.13 H new ATOM 0 HB2 GLU A 72 -17.192 -6.989 -0.039 1.00 1.32 H new ATOM 0 HB3 GLU A 72 -15.513 -6.923 -0.536 1.00 1.32 H new ATOM 0 HG2 GLU A 72 -14.931 -7.851 1.825 1.00 1.94 H new ATOM 0 HG3 GLU A 72 -16.643 -8.180 2.007 1.00 1.94 H new ATOM 174 N ILE A 73 -15.410 -3.992 -0.661 1.00 0.99 N ATOM 175 CA ILE A 73 -14.474 -3.119 -1.410 1.00 0.91 C ATOM 176 C ILE A 73 -14.063 -1.939 -0.525 1.00 0.80 C ATOM 177 O ILE A 73 -12.947 -1.461 -0.586 1.00 0.74 O ATOM 178 CB ILE A 73 -15.172 -2.614 -2.676 1.00 1.03 C ATOM 179 CG1 ILE A 73 -14.117 -2.155 -3.676 1.00 1.05 C ATOM 180 CG2 ILE A 73 -16.101 -1.444 -2.337 1.00 1.28 C ATOM 181 CD1 ILE A 73 -13.671 -3.348 -4.520 1.00 1.48 C ATOM 0 H ILE A 73 -16.372 -3.986 -1.000 1.00 0.99 H new ATOM 0 HA ILE A 73 -13.581 -3.677 -1.690 1.00 0.91 H new ATOM 0 HB ILE A 73 -15.766 -3.420 -3.106 1.00 1.03 H new ATOM 0 HG12 ILE A 73 -14.523 -1.372 -4.317 1.00 1.05 H new ATOM 0 HG13 ILE A 73 -13.263 -1.726 -3.151 1.00 1.05 H new ATOM 0 HG21 ILE A 73 -16.591 -1.094 -3.245 1.00 1.28 H new ATOM 0 HG22 ILE A 73 -16.855 -1.773 -1.622 1.00 1.28 H new ATOM 0 HG23 ILE A 73 -15.519 -0.631 -1.903 1.00 1.28 H new ATOM 0 HD11 ILE A 73 -12.916 -3.025 -5.237 1.00 1.48 H new ATOM 0 HD12 ILE A 73 -13.250 -4.116 -3.871 1.00 1.48 H new ATOM 0 HD13 ILE A 73 -14.528 -3.756 -5.055 1.00 1.48 H new ATOM 193 N THR A 74 -14.958 -1.468 0.299 1.00 0.81 N ATOM 194 CA THR A 74 -14.626 -0.324 1.191 1.00 0.76 C ATOM 195 C THR A 74 -13.521 -0.743 2.162 1.00 0.68 C ATOM 196 O THR A 74 -12.552 -0.036 2.364 1.00 0.62 O ATOM 197 CB THR A 74 -15.870 0.088 1.981 1.00 0.86 C ATOM 198 OG1 THR A 74 -17.028 -0.433 1.342 1.00 1.35 O ATOM 199 CG2 THR A 74 -15.961 1.614 2.040 1.00 1.19 C ATOM 0 H THR A 74 -15.908 -1.828 0.392 1.00 0.81 H new ATOM 0 HA THR A 74 -14.284 0.519 0.590 1.00 0.76 H new ATOM 0 HB THR A 74 -15.803 -0.307 2.995 1.00 0.86 H new ATOM 0 HG1 THR A 74 -17.830 -0.044 1.750 1.00 1.35 H new ATOM 0 HG21 THR A 74 -16.848 1.904 2.603 1.00 1.19 H new ATOM 0 HG22 THR A 74 -15.073 2.013 2.531 1.00 1.19 H new ATOM 0 HG23 THR A 74 -16.027 2.014 1.028 1.00 1.19 H new ATOM 207 N LEU A 75 -13.656 -1.887 2.772 1.00 0.72 N ATOM 208 CA LEU A 75 -12.605 -2.332 3.728 1.00 0.69 C ATOM 209 C LEU A 75 -11.411 -2.888 2.957 1.00 0.58 C ATOM 210 O LEU A 75 -10.278 -2.548 3.232 1.00 0.50 O ATOM 211 CB LEU A 75 -13.168 -3.419 4.646 1.00 0.82 C ATOM 212 CG LEU A 75 -12.394 -3.425 5.967 1.00 0.88 C ATOM 213 CD1 LEU A 75 -12.724 -4.699 6.746 1.00 0.87 C ATOM 214 CD2 LEU A 75 -10.892 -3.382 5.679 1.00 1.02 C ATOM 0 H LEU A 75 -14.441 -2.528 2.652 1.00 0.72 H new ATOM 0 HA LEU A 75 -12.285 -1.481 4.329 1.00 0.69 H new ATOM 0 HB2 LEU A 75 -14.227 -3.239 4.834 1.00 0.82 H new ATOM 0 HB3 LEU A 75 -13.091 -4.393 4.163 1.00 0.82 H new ATOM 0 HG LEU A 75 -12.677 -2.553 6.557 1.00 0.88 H new ATOM 0 HD11 LEU A 75 -12.173 -4.703 7.686 1.00 0.87 H new ATOM 0 HD12 LEU A 75 -13.794 -4.733 6.952 1.00 0.87 H new ATOM 0 HD13 LEU A 75 -12.441 -5.570 6.155 1.00 0.87 H new ATOM 0 HD21 LEU A 75 -10.341 -3.386 6.619 1.00 1.02 H new ATOM 0 HD22 LEU A 75 -10.610 -4.254 5.089 1.00 1.02 H new ATOM 0 HD23 LEU A 75 -10.654 -2.475 5.123 1.00 1.02 H new ATOM 226 N ILE A 76 -11.639 -3.737 1.993 1.00 0.62 N ATOM 227 CA ILE A 76 -10.489 -4.287 1.230 1.00 0.57 C ATOM 228 C ILE A 76 -9.698 -3.131 0.618 1.00 0.45 C ATOM 229 O ILE A 76 -8.491 -3.058 0.744 1.00 0.38 O ATOM 230 CB ILE A 76 -11.007 -5.199 0.117 1.00 0.69 C ATOM 231 CG1 ILE A 76 -11.633 -6.449 0.738 1.00 0.91 C ATOM 232 CG2 ILE A 76 -9.846 -5.602 -0.794 1.00 0.76 C ATOM 233 CD1 ILE A 76 -12.484 -7.164 -0.312 1.00 1.10 C ATOM 0 H ILE A 76 -12.560 -4.069 1.705 1.00 0.62 H new ATOM 0 HA ILE A 76 -9.844 -4.861 1.896 1.00 0.57 H new ATOM 0 HB ILE A 76 -11.758 -4.671 -0.470 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -10.853 -7.116 1.106 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -12.248 -6.174 1.595 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -10.215 -6.252 -1.587 1.00 0.76 H new ATOM 0 HG22 ILE A 76 -9.402 -4.709 -1.234 1.00 0.76 H new ATOM 0 HG23 ILE A 76 -9.093 -6.132 -0.211 1.00 0.76 H new ATOM 0 HD11 ILE A 76 -12.931 -8.055 0.128 1.00 1.10 H new ATOM 0 HD12 ILE A 76 -13.272 -6.495 -0.658 1.00 1.10 H new ATOM 0 HD13 ILE A 76 -11.856 -7.452 -1.155 1.00 1.10 H new ATOM 245 N ILE A 77 -10.369 -2.209 -0.020 1.00 0.44 N ATOM 246 CA ILE A 77 -9.646 -1.047 -0.605 1.00 0.36 C ATOM 247 C ILE A 77 -8.891 -0.326 0.512 1.00 0.28 C ATOM 248 O ILE A 77 -7.726 -0.004 0.387 1.00 0.25 O ATOM 249 CB ILE A 77 -10.643 -0.099 -1.287 1.00 0.39 C ATOM 250 CG1 ILE A 77 -9.896 0.796 -2.279 1.00 1.21 C ATOM 251 CG2 ILE A 77 -11.343 0.774 -0.246 1.00 1.18 C ATOM 252 CD1 ILE A 77 -10.869 1.296 -3.349 1.00 1.58 C ATOM 0 H ILE A 77 -11.379 -2.211 -0.160 1.00 0.44 H new ATOM 0 HA ILE A 77 -8.936 -1.388 -1.358 1.00 0.36 H new ATOM 0 HB ILE A 77 -11.391 -0.692 -1.813 1.00 0.39 H new ATOM 0 HG12 ILE A 77 -9.448 1.641 -1.756 1.00 1.21 H new ATOM 0 HG13 ILE A 77 -9.082 0.241 -2.744 1.00 1.21 H new ATOM 0 HG21 ILE A 77 -12.047 1.441 -0.744 1.00 1.18 H new ATOM 0 HG22 ILE A 77 -11.881 0.140 0.458 1.00 1.18 H new ATOM 0 HG23 ILE A 77 -10.601 1.365 0.291 1.00 1.18 H new ATOM 0 HD11 ILE A 77 -10.337 1.933 -4.055 1.00 1.58 H new ATOM 0 HD12 ILE A 77 -11.296 0.445 -3.879 1.00 1.58 H new ATOM 0 HD13 ILE A 77 -11.668 1.867 -2.876 1.00 1.58 H new ATOM 264 N PHE A 78 -9.556 -0.075 1.612 1.00 0.31 N ATOM 265 CA PHE A 78 -8.887 0.623 2.748 1.00 0.32 C ATOM 266 C PHE A 78 -7.652 -0.167 3.184 1.00 0.30 C ATOM 267 O PHE A 78 -6.591 0.389 3.380 1.00 0.30 O ATOM 268 CB PHE A 78 -9.852 0.753 3.931 1.00 0.41 C ATOM 269 CG PHE A 78 -10.380 2.168 3.990 1.00 0.80 C ATOM 270 CD1 PHE A 78 -11.032 2.717 2.879 1.00 1.66 C ATOM 271 CD2 PHE A 78 -10.214 2.930 5.153 1.00 1.52 C ATOM 272 CE1 PHE A 78 -11.518 4.029 2.932 1.00 2.09 C ATOM 273 CE2 PHE A 78 -10.701 4.241 5.205 1.00 1.97 C ATOM 274 CZ PHE A 78 -11.354 4.791 4.095 1.00 1.95 C ATOM 0 H PHE A 78 -10.532 -0.324 1.771 1.00 0.31 H new ATOM 0 HA PHE A 78 -8.587 1.619 2.421 1.00 0.32 H new ATOM 0 HB2 PHE A 78 -10.677 0.049 3.822 1.00 0.41 H new ATOM 0 HB3 PHE A 78 -9.341 0.504 4.861 1.00 0.41 H new ATOM 0 HD1 PHE A 78 -11.160 2.129 1.982 1.00 1.66 H new ATOM 0 HD2 PHE A 78 -9.710 2.506 6.009 1.00 1.52 H new ATOM 0 HE1 PHE A 78 -12.020 4.454 2.075 1.00 2.09 H new ATOM 0 HE2 PHE A 78 -10.573 4.829 6.102 1.00 1.97 H new ATOM 0 HZ PHE A 78 -11.731 5.802 4.136 1.00 1.95 H new ATOM 284 N GLY A 79 -7.780 -1.456 3.348 1.00 0.31 N ATOM 285 CA GLY A 79 -6.603 -2.262 3.782 1.00 0.32 C ATOM 286 C GLY A 79 -5.455 -2.063 2.792 1.00 0.26 C ATOM 287 O GLY A 79 -4.330 -1.815 3.178 1.00 0.26 O ATOM 0 H GLY A 79 -8.641 -1.982 3.202 1.00 0.31 H new ATOM 0 HA2 GLY A 79 -6.291 -1.960 4.782 1.00 0.32 H new ATOM 0 HA3 GLY A 79 -6.872 -3.317 3.836 1.00 0.32 H new ATOM 291 N VAL A 80 -5.724 -2.155 1.516 1.00 0.23 N ATOM 292 CA VAL A 80 -4.633 -1.955 0.524 1.00 0.22 C ATOM 293 C VAL A 80 -4.016 -0.571 0.745 1.00 0.21 C ATOM 294 O VAL A 80 -2.810 -0.419 0.830 1.00 0.22 O ATOM 295 CB VAL A 80 -5.209 -2.058 -0.890 1.00 0.24 C ATOM 296 CG1 VAL A 80 -4.100 -1.804 -1.912 1.00 0.28 C ATOM 297 CG2 VAL A 80 -5.784 -3.464 -1.100 1.00 0.28 C ATOM 0 H VAL A 80 -6.643 -2.358 1.123 1.00 0.23 H new ATOM 0 HA VAL A 80 -3.865 -2.718 0.647 1.00 0.22 H new ATOM 0 HB VAL A 80 -5.997 -1.316 -1.019 1.00 0.24 H new ATOM 0 HG11 VAL A 80 -4.510 -1.877 -2.919 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -3.687 -0.807 -1.760 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -3.312 -2.547 -1.786 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -6.196 -3.542 -2.106 1.00 0.28 H new ATOM 0 HG22 VAL A 80 -4.993 -4.203 -0.973 1.00 0.28 H new ATOM 0 HG23 VAL A 80 -6.573 -3.647 -0.370 1.00 0.28 H new ATOM 307 N MET A 81 -4.838 0.436 0.870 1.00 0.22 N ATOM 308 CA MET A 81 -4.311 1.807 1.119 1.00 0.25 C ATOM 309 C MET A 81 -3.472 1.793 2.397 1.00 0.27 C ATOM 310 O MET A 81 -2.375 2.315 2.444 1.00 0.28 O ATOM 311 CB MET A 81 -5.480 2.780 1.285 1.00 0.29 C ATOM 312 CG MET A 81 -6.403 2.679 0.069 1.00 0.36 C ATOM 313 SD MET A 81 -6.288 4.202 -0.903 1.00 1.07 S ATOM 314 CE MET A 81 -6.639 5.356 0.444 1.00 1.70 C ATOM 0 H MET A 81 -5.854 0.367 0.810 1.00 0.22 H new ATOM 0 HA MET A 81 -3.695 2.125 0.278 1.00 0.25 H new ATOM 0 HB2 MET A 81 -6.033 2.549 2.195 1.00 0.29 H new ATOM 0 HB3 MET A 81 -5.107 3.799 1.389 1.00 0.29 H new ATOM 0 HG2 MET A 81 -6.123 1.822 -0.543 1.00 0.36 H new ATOM 0 HG3 MET A 81 -7.431 2.518 0.392 1.00 0.36 H new ATOM 0 HE1 MET A 81 -7.241 6.183 0.067 1.00 1.70 H new ATOM 0 HE2 MET A 81 -7.185 4.839 1.233 1.00 1.70 H new ATOM 0 HE3 MET A 81 -5.702 5.743 0.845 1.00 1.70 H new ATOM 324 N ALA A 82 -3.990 1.197 3.437 1.00 0.28 N ATOM 325 CA ALA A 82 -3.246 1.137 4.725 1.00 0.32 C ATOM 326 C ALA A 82 -1.882 0.474 4.505 1.00 0.30 C ATOM 327 O ALA A 82 -0.873 0.959 4.977 1.00 0.30 O ATOM 328 CB ALA A 82 -4.059 0.358 5.768 1.00 0.37 C ATOM 0 H ALA A 82 -4.905 0.746 3.448 1.00 0.28 H new ATOM 0 HA ALA A 82 -3.089 2.150 5.096 1.00 0.32 H new ATOM 0 HB1 ALA A 82 -3.506 0.320 6.706 1.00 0.37 H new ATOM 0 HB2 ALA A 82 -5.015 0.856 5.930 1.00 0.37 H new ATOM 0 HB3 ALA A 82 -4.235 -0.656 5.409 1.00 0.37 H new ATOM 334 N GLY A 83 -1.830 -0.629 3.802 1.00 0.28 N ATOM 335 CA GLY A 83 -0.517 -1.290 3.582 1.00 0.27 C ATOM 336 C GLY A 83 0.437 -0.296 2.924 1.00 0.23 C ATOM 337 O GLY A 83 1.567 -0.138 3.344 1.00 0.23 O ATOM 0 H GLY A 83 -2.633 -1.093 3.377 1.00 0.28 H new ATOM 0 HA2 GLY A 83 -0.106 -1.635 4.531 1.00 0.27 H new ATOM 0 HA3 GLY A 83 -0.640 -2.169 2.949 1.00 0.27 H new ATOM 341 N VAL A 84 -0.004 0.386 1.902 1.00 0.21 N ATOM 342 CA VAL A 84 0.894 1.373 1.239 1.00 0.19 C ATOM 343 C VAL A 84 1.369 2.402 2.272 1.00 0.20 C ATOM 344 O VAL A 84 2.543 2.705 2.368 1.00 0.19 O ATOM 345 CB VAL A 84 0.130 2.086 0.123 1.00 0.22 C ATOM 346 CG1 VAL A 84 1.030 3.141 -0.522 1.00 0.28 C ATOM 347 CG2 VAL A 84 -0.296 1.064 -0.933 1.00 0.27 C ATOM 0 H VAL A 84 -0.938 0.304 1.501 1.00 0.21 H new ATOM 0 HA VAL A 84 1.756 0.857 0.816 1.00 0.19 H new ATOM 0 HB VAL A 84 -0.753 2.571 0.540 1.00 0.22 H new ATOM 0 HG11 VAL A 84 0.484 3.648 -1.317 1.00 0.28 H new ATOM 0 HG12 VAL A 84 1.334 3.869 0.230 1.00 0.28 H new ATOM 0 HG13 VAL A 84 1.914 2.659 -0.939 1.00 0.28 H new ATOM 0 HG21 VAL A 84 -0.841 1.570 -1.730 1.00 0.27 H new ATOM 0 HG22 VAL A 84 0.588 0.580 -1.348 1.00 0.27 H new ATOM 0 HG23 VAL A 84 -0.939 0.313 -0.474 1.00 0.27 H new ATOM 357 N ILE A 85 0.465 2.938 3.053 1.00 0.23 N ATOM 358 CA ILE A 85 0.864 3.941 4.083 1.00 0.27 C ATOM 359 C ILE A 85 1.909 3.332 5.023 1.00 0.27 C ATOM 360 O ILE A 85 2.920 3.937 5.317 1.00 0.28 O ATOM 361 CB ILE A 85 -0.365 4.355 4.896 1.00 0.33 C ATOM 362 CG1 ILE A 85 -1.428 4.927 3.957 1.00 0.67 C ATOM 363 CG2 ILE A 85 0.036 5.417 5.921 1.00 0.75 C ATOM 364 CD1 ILE A 85 -0.788 5.962 3.030 1.00 1.20 C ATOM 0 H ILE A 85 -0.532 2.723 3.021 1.00 0.23 H new ATOM 0 HA ILE A 85 1.288 4.814 3.587 1.00 0.27 H new ATOM 0 HB ILE A 85 -0.769 3.485 5.414 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -1.878 4.127 3.370 1.00 0.67 H new ATOM 0 HG13 ILE A 85 -2.229 5.387 4.535 1.00 0.67 H new ATOM 0 HG21 ILE A 85 -0.839 5.712 6.500 1.00 0.75 H new ATOM 0 HG22 ILE A 85 0.794 5.009 6.590 1.00 0.75 H new ATOM 0 HG23 ILE A 85 0.440 6.288 5.404 1.00 0.75 H new ATOM 0 HD11 ILE A 85 -1.546 6.369 2.361 1.00 1.20 H new ATOM 0 HD12 ILE A 85 -0.359 6.768 3.626 1.00 1.20 H new ATOM 0 HD13 ILE A 85 -0.002 5.487 2.442 1.00 1.20 H new ATOM 376 N GLY A 86 1.668 2.140 5.501 1.00 0.29 N ATOM 377 CA GLY A 86 2.640 1.495 6.426 1.00 0.33 C ATOM 378 C GLY A 86 4.009 1.404 5.756 1.00 0.30 C ATOM 379 O GLY A 86 5.020 1.731 6.344 1.00 0.33 O ATOM 0 H GLY A 86 0.838 1.586 5.289 1.00 0.29 H new ATOM 0 HA2 GLY A 86 2.714 2.070 7.349 1.00 0.33 H new ATOM 0 HA3 GLY A 86 2.291 0.499 6.698 1.00 0.33 H new ATOM 383 N THR A 87 4.055 0.957 4.531 1.00 0.25 N ATOM 384 CA THR A 87 5.367 0.843 3.838 1.00 0.25 C ATOM 385 C THR A 87 6.057 2.206 3.825 1.00 0.26 C ATOM 386 O THR A 87 7.224 2.321 4.144 1.00 0.32 O ATOM 387 CB THR A 87 5.148 0.367 2.401 1.00 0.24 C ATOM 388 OG1 THR A 87 4.442 -0.867 2.415 1.00 0.34 O ATOM 389 CG2 THR A 87 6.501 0.178 1.712 1.00 0.31 C ATOM 0 H THR A 87 3.245 0.667 3.983 1.00 0.25 H new ATOM 0 HA THR A 87 5.994 0.124 4.365 1.00 0.25 H new ATOM 0 HB THR A 87 4.567 1.111 1.855 1.00 0.24 H new ATOM 0 HG1 THR A 87 3.493 -0.699 2.594 1.00 0.34 H new ATOM 0 HG21 THR A 87 6.344 -0.161 0.688 1.00 0.31 H new ATOM 0 HG22 THR A 87 7.040 1.126 1.702 1.00 0.31 H new ATOM 0 HG23 THR A 87 7.085 -0.565 2.255 1.00 0.31 H new ATOM 397 N ILE A 88 5.353 3.245 3.463 1.00 0.24 N ATOM 398 CA ILE A 88 5.992 4.591 3.443 1.00 0.33 C ATOM 399 C ILE A 88 6.544 4.909 4.835 1.00 0.39 C ATOM 400 O ILE A 88 7.676 5.325 4.986 1.00 0.47 O ATOM 401 CB ILE A 88 4.954 5.645 3.055 1.00 0.37 C ATOM 402 CG1 ILE A 88 4.414 5.337 1.656 1.00 0.39 C ATOM 403 CG2 ILE A 88 5.608 7.028 3.054 1.00 0.47 C ATOM 404 CD1 ILE A 88 3.444 6.440 1.228 1.00 0.49 C ATOM 0 H ILE A 88 4.373 3.221 3.183 1.00 0.24 H new ATOM 0 HA ILE A 88 6.804 4.598 2.716 1.00 0.33 H new ATOM 0 HB ILE A 88 4.135 5.630 3.774 1.00 0.37 H new ATOM 0 HG12 ILE A 88 5.237 5.266 0.945 1.00 0.39 H new ATOM 0 HG13 ILE A 88 3.907 4.372 1.655 1.00 0.39 H new ATOM 0 HG21 ILE A 88 4.869 7.780 2.778 1.00 0.47 H new ATOM 0 HG22 ILE A 88 5.995 7.248 4.049 1.00 0.47 H new ATOM 0 HG23 ILE A 88 6.427 7.043 2.335 1.00 0.47 H new ATOM 0 HD11 ILE A 88 3.060 6.220 0.232 1.00 0.49 H new ATOM 0 HD12 ILE A 88 2.615 6.490 1.934 1.00 0.49 H new ATOM 0 HD13 ILE A 88 3.965 7.397 1.213 1.00 0.49 H new ATOM 416 N LEU A 89 5.755 4.699 5.855 1.00 0.39 N ATOM 417 CA LEU A 89 6.234 4.973 7.237 1.00 0.49 C ATOM 418 C LEU A 89 7.496 4.138 7.494 1.00 0.53 C ATOM 419 O LEU A 89 8.493 4.629 7.986 1.00 0.62 O ATOM 420 CB LEU A 89 5.106 4.629 8.235 1.00 0.53 C ATOM 421 CG LEU A 89 5.600 3.686 9.337 1.00 0.59 C ATOM 422 CD1 LEU A 89 6.588 4.427 10.240 1.00 0.68 C ATOM 423 CD2 LEU A 89 4.408 3.209 10.171 1.00 0.65 C ATOM 0 H LEU A 89 4.799 4.349 5.789 1.00 0.39 H new ATOM 0 HA LEU A 89 6.488 6.025 7.365 1.00 0.49 H new ATOM 0 HB2 LEU A 89 4.723 5.546 8.684 1.00 0.53 H new ATOM 0 HB3 LEU A 89 4.276 4.165 7.702 1.00 0.53 H new ATOM 0 HG LEU A 89 6.096 2.827 8.884 1.00 0.59 H new ATOM 0 HD11 LEU A 89 6.939 3.755 11.024 1.00 0.68 H new ATOM 0 HD12 LEU A 89 7.437 4.768 9.648 1.00 0.68 H new ATOM 0 HD13 LEU A 89 6.093 5.286 10.693 1.00 0.68 H new ATOM 0 HD21 LEU A 89 4.758 2.538 10.955 1.00 0.65 H new ATOM 0 HD22 LEU A 89 3.913 4.069 10.623 1.00 0.65 H new ATOM 0 HD23 LEU A 89 3.703 2.680 9.529 1.00 0.65 H new ATOM 435 N LEU A 90 7.452 2.878 7.156 1.00 0.49 N ATOM 436 CA LEU A 90 8.636 1.999 7.370 1.00 0.57 C ATOM 437 C LEU A 90 9.846 2.581 6.638 1.00 0.60 C ATOM 438 O LEU A 90 10.926 2.670 7.183 1.00 0.71 O ATOM 439 CB LEU A 90 8.333 0.599 6.833 1.00 0.56 C ATOM 440 CG LEU A 90 7.290 -0.074 7.730 1.00 1.24 C ATOM 441 CD1 LEU A 90 6.468 -1.068 6.907 1.00 1.76 C ATOM 442 CD2 LEU A 90 7.999 -0.817 8.866 1.00 1.92 C ATOM 0 H LEU A 90 6.643 2.418 6.739 1.00 0.49 H new ATOM 0 HA LEU A 90 8.857 1.938 8.436 1.00 0.57 H new ATOM 0 HB2 LEU A 90 7.963 0.662 5.810 1.00 0.56 H new ATOM 0 HB3 LEU A 90 9.245 0.002 6.806 1.00 0.56 H new ATOM 0 HG LEU A 90 6.628 0.685 8.147 1.00 1.24 H new ATOM 0 HD11 LEU A 90 5.727 -1.545 7.548 1.00 1.76 H new ATOM 0 HD12 LEU A 90 5.963 -0.540 6.098 1.00 1.76 H new ATOM 0 HD13 LEU A 90 7.128 -1.827 6.488 1.00 1.76 H new ATOM 0 HD21 LEU A 90 7.258 -1.297 9.505 1.00 1.92 H new ATOM 0 HD22 LEU A 90 8.662 -1.574 8.447 1.00 1.92 H new ATOM 0 HD23 LEU A 90 8.583 -0.110 9.455 1.00 1.92 H new ATOM 454 N ILE A 91 9.677 2.972 5.405 1.00 0.55 N ATOM 455 CA ILE A 91 10.824 3.539 4.641 1.00 0.65 C ATOM 456 C ILE A 91 11.398 4.740 5.388 1.00 0.75 C ATOM 457 O ILE A 91 12.594 4.848 5.567 1.00 0.87 O ATOM 458 CB ILE A 91 10.348 3.976 3.255 1.00 0.63 C ATOM 459 CG1 ILE A 91 9.897 2.745 2.466 1.00 0.58 C ATOM 460 CG2 ILE A 91 11.496 4.665 2.516 1.00 0.75 C ATOM 461 CD1 ILE A 91 9.518 3.161 1.043 1.00 0.66 C ATOM 0 H ILE A 91 8.796 2.924 4.894 1.00 0.55 H new ATOM 0 HA ILE A 91 11.598 2.779 4.536 1.00 0.65 H new ATOM 0 HB ILE A 91 9.514 4.671 3.356 1.00 0.63 H new ATOM 0 HG12 ILE A 91 10.696 2.004 2.439 1.00 0.58 H new ATOM 0 HG13 ILE A 91 9.045 2.276 2.958 1.00 0.58 H new ATOM 0 HG21 ILE A 91 11.158 4.977 1.528 1.00 0.75 H new ATOM 0 HG22 ILE A 91 11.820 5.539 3.081 1.00 0.75 H new ATOM 0 HG23 ILE A 91 12.330 3.971 2.412 1.00 0.75 H new ATOM 0 HD11 ILE A 91 9.197 2.284 0.481 1.00 0.66 H new ATOM 0 HD12 ILE A 91 8.705 3.886 1.080 1.00 0.66 H new ATOM 0 HD13 ILE A 91 10.382 3.610 0.553 1.00 0.66 H new ATOM 473 N SER A 92 10.568 5.641 5.840 1.00 0.73 N ATOM 474 CA SER A 92 11.116 6.809 6.579 1.00 0.87 C ATOM 475 C SER A 92 11.922 6.284 7.765 1.00 0.94 C ATOM 476 O SER A 92 13.046 6.683 7.989 1.00 1.07 O ATOM 477 CB SER A 92 9.967 7.684 7.082 1.00 0.86 C ATOM 478 OG SER A 92 8.878 7.593 6.174 1.00 1.29 O ATOM 0 H SER A 92 9.554 5.619 5.732 1.00 0.73 H new ATOM 0 HA SER A 92 11.751 7.407 5.926 1.00 0.87 H new ATOM 0 HB2 SER A 92 9.656 7.361 8.075 1.00 0.86 H new ATOM 0 HB3 SER A 92 10.295 8.719 7.172 1.00 0.86 H new ATOM 0 HG SER A 92 8.138 8.151 6.493 1.00 1.29 H new ATOM 484 N TYR A 93 11.361 5.367 8.507 1.00 0.89 N ATOM 485 CA TYR A 93 12.098 4.782 9.664 1.00 1.00 C ATOM 486 C TYR A 93 13.415 4.174 9.169 1.00 1.05 C ATOM 487 O TYR A 93 14.467 4.391 9.737 1.00 1.18 O ATOM 488 CB TYR A 93 11.243 3.696 10.320 1.00 0.96 C ATOM 489 CG TYR A 93 11.280 3.870 11.820 1.00 1.27 C ATOM 490 CD1 TYR A 93 12.441 3.548 12.532 1.00 2.13 C ATOM 491 CD2 TYR A 93 10.155 4.354 12.497 1.00 1.62 C ATOM 492 CE1 TYR A 93 12.477 3.710 13.922 1.00 2.53 C ATOM 493 CE2 TYR A 93 10.190 4.515 13.888 1.00 1.95 C ATOM 494 CZ TYR A 93 11.352 4.194 14.600 1.00 2.15 C ATOM 495 OH TYR A 93 11.389 4.354 15.970 1.00 2.64 O ATOM 0 H TYR A 93 10.422 4.997 8.361 1.00 0.89 H new ATOM 0 HA TYR A 93 12.310 5.562 10.396 1.00 1.00 H new ATOM 0 HB2 TYR A 93 10.216 3.759 9.960 1.00 0.96 H new ATOM 0 HB3 TYR A 93 11.616 2.709 10.048 1.00 0.96 H new ATOM 0 HD1 TYR A 93 13.309 3.175 12.009 1.00 2.13 H new ATOM 0 HD2 TYR A 93 9.260 4.603 11.947 1.00 1.62 H new ATOM 0 HE1 TYR A 93 13.373 3.462 14.471 1.00 2.53 H new ATOM 0 HE2 TYR A 93 9.321 4.887 14.411 1.00 1.95 H new ATOM 0 HH TYR A 93 10.527 4.700 16.282 1.00 2.64 H new ATOM 505 N GLY A 94 13.358 3.414 8.105 1.00 0.97 N ATOM 506 CA GLY A 94 14.590 2.788 7.553 1.00 1.05 C ATOM 507 C GLY A 94 15.607 3.882 7.248 1.00 1.16 C ATOM 508 O GLY A 94 16.771 3.774 7.581 1.00 1.29 O ATOM 0 H GLY A 94 12.502 3.201 7.593 1.00 0.97 H new ATOM 0 HA2 GLY A 94 15.004 2.077 8.268 1.00 1.05 H new ATOM 0 HA3 GLY A 94 14.355 2.229 6.647 1.00 1.05 H new ATOM 512 N ILE A 95 15.179 4.938 6.614 1.00 1.14 N ATOM 513 CA ILE A 95 16.131 6.037 6.287 1.00 1.29 C ATOM 514 C ILE A 95 16.794 6.521 7.584 1.00 1.41 C ATOM 515 O ILE A 95 17.997 6.676 7.646 1.00 1.55 O ATOM 516 CB ILE A 95 15.373 7.194 5.619 1.00 1.28 C ATOM 517 CG1 ILE A 95 15.151 6.868 4.139 1.00 1.74 C ATOM 518 CG2 ILE A 95 16.187 8.488 5.729 1.00 1.77 C ATOM 519 CD1 ILE A 95 13.652 6.723 3.868 1.00 2.19 C ATOM 0 H ILE A 95 14.217 5.088 6.309 1.00 1.14 H new ATOM 0 HA ILE A 95 16.896 5.675 5.600 1.00 1.29 H new ATOM 0 HB ILE A 95 14.414 7.327 6.120 1.00 1.28 H new ATOM 0 HG12 ILE A 95 15.570 7.658 3.515 1.00 1.74 H new ATOM 0 HG13 ILE A 95 15.670 5.946 3.877 1.00 1.74 H new ATOM 0 HG21 ILE A 95 15.642 9.303 5.253 1.00 1.77 H new ATOM 0 HG22 ILE A 95 16.351 8.727 6.780 1.00 1.77 H new ATOM 0 HG23 ILE A 95 17.149 8.356 5.233 1.00 1.77 H new ATOM 0 HD11 ILE A 95 13.493 6.491 2.815 1.00 2.19 H new ATOM 0 HD12 ILE A 95 13.247 5.918 4.482 1.00 2.19 H new ATOM 0 HD13 ILE A 95 13.146 7.656 4.114 1.00 2.19 H new ATOM 531 N ARG A 96 16.033 6.750 8.623 1.00 1.37 N ATOM 532 CA ARG A 96 16.660 7.210 9.900 1.00 1.51 C ATOM 533 C ARG A 96 17.711 6.185 10.328 1.00 1.58 C ATOM 534 O ARG A 96 18.822 6.528 10.683 1.00 1.73 O ATOM 535 CB ARG A 96 15.607 7.320 11.009 1.00 1.46 C ATOM 536 CG ARG A 96 14.274 7.799 10.436 1.00 1.73 C ATOM 537 CD ARG A 96 14.504 9.012 9.533 1.00 2.03 C ATOM 538 NE ARG A 96 13.191 9.619 9.182 1.00 2.00 N ATOM 539 CZ ARG A 96 13.141 10.827 8.690 1.00 2.45 C ATOM 540 NH1 ARG A 96 13.932 11.167 7.710 1.00 3.14 N ATOM 541 NH2 ARG A 96 12.301 11.697 9.180 1.00 2.76 N ATOM 0 H ARG A 96 15.019 6.641 8.645 1.00 1.37 H new ATOM 0 HA ARG A 96 17.112 8.189 9.739 1.00 1.51 H new ATOM 0 HB2 ARG A 96 15.475 6.351 11.491 1.00 1.46 H new ATOM 0 HB3 ARG A 96 15.950 8.014 11.777 1.00 1.46 H new ATOM 0 HG2 ARG A 96 13.802 6.996 9.869 1.00 1.73 H new ATOM 0 HG3 ARG A 96 13.593 8.061 11.246 1.00 1.73 H new ATOM 0 HD2 ARG A 96 15.132 9.744 10.041 1.00 2.03 H new ATOM 0 HD3 ARG A 96 15.032 8.711 8.628 1.00 2.03 H new ATOM 0 HE ARG A 96 12.330 9.091 9.326 1.00 2.00 H new ATOM 0 HH11 ARG A 96 14.591 10.489 7.327 1.00 3.14 H new ATOM 0 HH12 ARG A 96 13.892 12.111 7.326 1.00 3.14 H new ATOM 0 HH21 ARG A 96 11.683 11.433 9.948 1.00 2.76 H new ATOM 0 HH22 ARG A 96 12.262 12.641 8.795 1.00 2.76 H new ATOM 555 N ARG A 97 17.364 4.927 10.301 1.00 1.50 N ATOM 556 CA ARG A 97 18.333 3.871 10.710 1.00 1.59 C ATOM 557 C ARG A 97 19.599 3.965 9.855 1.00 1.69 C ATOM 558 O ARG A 97 20.703 3.926 10.361 1.00 1.84 O ATOM 559 CB ARG A 97 17.695 2.492 10.528 1.00 1.50 C ATOM 560 CG ARG A 97 18.707 1.407 10.898 1.00 1.77 C ATOM 561 CD ARG A 97 19.058 0.587 9.654 1.00 2.23 C ATOM 562 NE ARG A 97 17.901 -0.278 9.277 1.00 2.70 N ATOM 563 CZ ARG A 97 17.154 -0.813 10.204 1.00 3.07 C ATOM 564 NH1 ARG A 97 17.700 -1.512 11.159 1.00 3.58 N ATOM 565 NH2 ARG A 97 15.859 -0.647 10.175 1.00 3.56 N ATOM 0 H ARG A 97 16.448 4.584 10.012 1.00 1.50 H new ATOM 0 HA ARG A 97 18.597 4.015 11.758 1.00 1.59 H new ATOM 0 HB2 ARG A 97 16.808 2.405 11.155 1.00 1.50 H new ATOM 0 HB3 ARG A 97 17.370 2.364 9.496 1.00 1.50 H new ATOM 0 HG2 ARG A 97 19.607 1.861 11.313 1.00 1.77 H new ATOM 0 HG3 ARG A 97 18.293 0.757 11.669 1.00 1.77 H new ATOM 0 HD2 ARG A 97 19.311 1.252 8.828 1.00 2.23 H new ATOM 0 HD3 ARG A 97 19.936 -0.029 9.849 1.00 2.23 H new ATOM 0 HE ARG A 97 17.694 -0.451 8.293 1.00 2.70 H new ATOM 0 HH11 ARG A 97 18.712 -1.641 11.182 1.00 3.58 H new ATOM 0 HH12 ARG A 97 17.116 -1.930 11.883 1.00 3.58 H new ATOM 0 HH21 ARG A 97 15.432 -0.099 9.428 1.00 3.56 H new ATOM 0 HH22 ARG A 97 15.275 -1.065 10.899 1.00 3.56 H new ATOM 579 N LEU A 98 19.451 4.084 8.564 1.00 1.64 N ATOM 580 CA LEU A 98 20.653 4.174 7.688 1.00 1.75 C ATOM 581 C LEU A 98 21.508 5.354 8.147 1.00 1.91 C ATOM 582 O LEU A 98 22.707 5.241 8.308 1.00 2.05 O ATOM 583 CB LEU A 98 20.211 4.394 6.240 1.00 1.69 C ATOM 584 CG LEU A 98 20.655 3.208 5.384 1.00 2.11 C ATOM 585 CD1 LEU A 98 19.732 3.083 4.170 1.00 2.66 C ATOM 586 CD2 LEU A 98 22.092 3.432 4.908 1.00 2.38 C ATOM 0 H LEU A 98 18.554 4.123 8.080 1.00 1.64 H new ATOM 0 HA LEU A 98 21.231 3.252 7.751 1.00 1.75 H new ATOM 0 HB2 LEU A 98 19.128 4.505 6.192 1.00 1.69 H new ATOM 0 HB3 LEU A 98 20.643 5.317 5.853 1.00 1.69 H new ATOM 0 HG LEU A 98 20.606 2.294 5.976 1.00 2.11 H new ATOM 0 HD11 LEU A 98 20.047 2.238 3.559 1.00 2.66 H new ATOM 0 HD12 LEU A 98 18.707 2.925 4.507 1.00 2.66 H new ATOM 0 HD13 LEU A 98 19.783 3.997 3.579 1.00 2.66 H new ATOM 0 HD21 LEU A 98 22.409 2.586 4.298 1.00 2.38 H new ATOM 0 HD22 LEU A 98 22.141 4.346 4.316 1.00 2.38 H new ATOM 0 HD23 LEU A 98 22.751 3.524 5.771 1.00 2.38 H new ATOM 598 N ILE A 99 20.897 6.482 8.371 1.00 1.90 N ATOM 599 CA ILE A 99 21.665 7.668 8.835 1.00 2.06 C ATOM 600 C ILE A 99 22.012 7.491 10.313 1.00 2.14 C ATOM 601 O ILE A 99 22.842 8.193 10.858 1.00 2.20 O ATOM 602 CB ILE A 99 20.803 8.917 8.669 1.00 2.05 C ATOM 603 CG1 ILE A 99 19.515 8.742 9.476 1.00 1.98 C ATOM 604 CG2 ILE A 99 20.459 9.109 7.191 1.00 2.03 C ATOM 605 CD1 ILE A 99 18.731 10.056 9.480 1.00 2.00 C ATOM 0 H ILE A 99 19.895 6.634 8.252 1.00 1.90 H new ATOM 0 HA ILE A 99 22.579 7.770 8.250 1.00 2.06 H new ATOM 0 HB ILE A 99 21.347 9.791 9.027 1.00 2.05 H new ATOM 0 HG12 ILE A 99 18.908 7.946 9.044 1.00 1.98 H new ATOM 0 HG13 ILE A 99 19.751 8.444 10.498 1.00 1.98 H new ATOM 0 HG21 ILE A 99 19.844 10.001 7.074 1.00 2.03 H new ATOM 0 HG22 ILE A 99 21.378 9.224 6.616 1.00 2.03 H new ATOM 0 HG23 ILE A 99 19.910 8.239 6.829 1.00 2.03 H new ATOM 0 HD11 ILE A 99 17.814 9.931 10.055 1.00 2.00 H new ATOM 0 HD12 ILE A 99 19.338 10.841 9.932 1.00 2.00 H new ATOM 0 HD13 ILE A 99 18.482 10.334 8.456 1.00 2.00 H new ATOM 617 N LYS A 100 21.377 6.559 10.968 1.00 2.35 N ATOM 618 CA LYS A 100 21.657 6.334 12.413 1.00 2.45 C ATOM 619 C LYS A 100 22.748 5.270 12.567 1.00 2.85 C ATOM 620 O LYS A 100 22.468 4.112 12.797 1.00 3.21 O ATOM 621 CB LYS A 100 20.376 5.864 13.106 1.00 2.30 C ATOM 622 CG LYS A 100 20.639 5.683 14.601 1.00 2.60 C ATOM 623 CD LYS A 100 20.039 4.355 15.066 1.00 2.94 C ATOM 624 CE LYS A 100 19.690 4.445 16.553 1.00 3.56 C ATOM 625 NZ LYS A 100 20.891 4.103 17.365 1.00 3.91 N ATOM 0 H LYS A 100 20.674 5.941 10.563 1.00 2.35 H new ATOM 0 HA LYS A 100 21.999 7.263 12.869 1.00 2.45 H new ATOM 0 HB2 LYS A 100 19.579 6.592 12.952 1.00 2.30 H new ATOM 0 HB3 LYS A 100 20.038 4.924 12.669 1.00 2.30 H new ATOM 0 HG2 LYS A 100 21.711 5.699 14.797 1.00 2.60 H new ATOM 0 HG3 LYS A 100 20.200 6.509 15.161 1.00 2.60 H new ATOM 0 HD2 LYS A 100 19.146 4.124 14.485 1.00 2.94 H new ATOM 0 HD3 LYS A 100 20.748 3.544 14.896 1.00 2.94 H new ATOM 0 HE2 LYS A 100 19.347 5.450 16.797 1.00 3.56 H new ATOM 0 HE3 LYS A 100 18.873 3.763 16.788 1.00 3.56 H new ATOM 0 HZ1 LYS A 100 20.655 4.164 18.376 1.00 3.91 H new ATOM 0 HZ2 LYS A 100 21.199 3.136 17.139 1.00 3.91 H new ATOM 0 HZ3 LYS A 100 21.658 4.770 17.148 1.00 3.91 H new ATOM 639 N LYS A 101 23.989 5.663 12.448 1.00 3.09 N ATOM 640 CA LYS A 101 25.110 4.688 12.593 1.00 3.63 C ATOM 641 C LYS A 101 26.384 5.287 11.991 1.00 4.10 C ATOM 642 O LYS A 101 26.830 6.305 12.493 1.00 4.56 O ATOM 643 CB LYS A 101 24.775 3.381 11.865 1.00 3.99 C ATOM 644 CG LYS A 101 24.199 3.685 10.480 1.00 4.58 C ATOM 645 CD LYS A 101 24.411 2.477 9.566 1.00 5.25 C ATOM 646 CE LYS A 101 25.820 2.527 8.973 1.00 6.09 C ATOM 647 NZ LYS A 101 26.333 1.139 8.793 1.00 6.53 N ATOM 648 OXT LYS A 101 26.890 4.717 11.038 1.00 4.44 O ATOM 0 H LYS A 101 24.276 6.623 12.256 1.00 3.09 H new ATOM 0 HA LYS A 101 25.261 4.478 13.652 1.00 3.63 H new ATOM 0 HB2 LYS A 101 25.672 2.769 11.768 1.00 3.99 H new ATOM 0 HB3 LYS A 101 24.057 2.804 12.448 1.00 3.99 H new ATOM 0 HG2 LYS A 101 23.136 3.914 10.558 1.00 4.58 H new ATOM 0 HG3 LYS A 101 24.684 4.565 10.057 1.00 4.58 H new ATOM 0 HD2 LYS A 101 24.274 1.553 10.129 1.00 5.25 H new ATOM 0 HD3 LYS A 101 23.669 2.477 8.768 1.00 5.25 H new ATOM 0 HE2 LYS A 101 25.805 3.048 8.015 1.00 6.09 H new ATOM 0 HE3 LYS A 101 26.483 3.089 9.631 1.00 6.09 H new ATOM 0 HZ1 LYS A 101 27.291 1.173 8.390 1.00 6.53 H new ATOM 0 HZ2 LYS A 101 26.362 0.657 9.714 1.00 6.53 H new ATOM 0 HZ3 LYS A 101 25.705 0.617 8.149 1.00 6.53 H new TER 662 LYS A 101 ATOM 663 N VAL B 62 -31.094 -16.968 -5.997 1.00 19.64 N ATOM 664 CA VAL B 62 -32.530 -17.364 -6.042 1.00 19.45 C ATOM 665 C VAL B 62 -32.703 -18.731 -5.377 1.00 18.79 C ATOM 666 O VAL B 62 -32.950 -19.725 -6.032 1.00 19.02 O ATOM 667 CB VAL B 62 -32.992 -17.441 -7.498 1.00 19.77 C ATOM 668 CG1 VAL B 62 -32.100 -18.417 -8.266 1.00 20.22 C ATOM 669 CG2 VAL B 62 -34.443 -17.928 -7.550 1.00 19.99 C ATOM 0 HA VAL B 62 -33.128 -16.624 -5.510 1.00 19.45 H new ATOM 0 HB VAL B 62 -32.924 -16.452 -7.952 1.00 19.77 H new ATOM 0 HG11 VAL B 62 -32.429 -18.472 -9.304 1.00 20.22 H new ATOM 0 HG12 VAL B 62 -31.067 -18.071 -8.231 1.00 20.22 H new ATOM 0 HG13 VAL B 62 -32.167 -19.406 -7.812 1.00 20.22 H new ATOM 0 HG21 VAL B 62 -34.771 -17.983 -8.588 1.00 19.99 H new ATOM 0 HG22 VAL B 62 -34.512 -18.916 -7.095 1.00 19.99 H new ATOM 0 HG23 VAL B 62 -35.080 -17.232 -7.004 1.00 19.99 H new ATOM 681 N GLN B 63 -32.574 -18.789 -4.079 1.00 18.10 N ATOM 682 CA GLN B 63 -32.730 -20.092 -3.370 1.00 17.56 C ATOM 683 C GLN B 63 -32.893 -19.838 -1.871 1.00 16.86 C ATOM 684 O GLN B 63 -32.283 -18.949 -1.312 1.00 16.59 O ATOM 685 CB GLN B 63 -31.491 -20.956 -3.612 1.00 17.30 C ATOM 686 CG GLN B 63 -30.233 -20.096 -3.473 1.00 17.01 C ATOM 687 CD GLN B 63 -29.430 -20.558 -2.257 1.00 16.75 C ATOM 688 OE1 GLN B 63 -29.904 -20.491 -1.140 1.00 17.03 O ATOM 689 NE2 GLN B 63 -28.225 -21.030 -2.427 1.00 16.36 N ATOM 0 H GLN B 63 -32.367 -17.991 -3.479 1.00 18.10 H new ATOM 0 HA GLN B 63 -33.611 -20.610 -3.748 1.00 17.56 H new ATOM 0 HB2 GLN B 63 -31.463 -21.778 -2.897 1.00 17.30 H new ATOM 0 HB3 GLN B 63 -31.533 -21.400 -4.607 1.00 17.30 H new ATOM 0 HG2 GLN B 63 -29.625 -20.174 -4.374 1.00 17.01 H new ATOM 0 HG3 GLN B 63 -30.507 -19.047 -3.363 1.00 17.01 H new ATOM 0 HE21 GLN B 63 -27.827 -21.086 -3.364 1.00 16.36 H new ATOM 0 HE22 GLN B 63 -27.681 -21.343 -1.622 1.00 16.36 H new ATOM 698 N LEU B 64 -33.713 -20.613 -1.214 1.00 16.69 N ATOM 699 CA LEU B 64 -33.916 -20.413 0.250 1.00 16.15 C ATOM 700 C LEU B 64 -33.050 -21.402 1.029 1.00 15.61 C ATOM 701 O LEU B 64 -33.452 -21.916 2.055 1.00 15.57 O ATOM 702 CB LEU B 64 -35.384 -20.653 0.600 1.00 16.73 C ATOM 703 CG LEU B 64 -36.007 -19.353 1.110 1.00 16.88 C ATOM 704 CD1 LEU B 64 -37.401 -19.184 0.505 1.00 17.47 C ATOM 705 CD2 LEU B 64 -36.117 -19.409 2.635 1.00 17.27 C ATOM 0 H LEU B 64 -34.251 -21.375 -1.627 1.00 16.69 H new ATOM 0 HA LEU B 64 -33.636 -19.393 0.514 1.00 16.15 H new ATOM 0 HB2 LEU B 64 -35.925 -21.008 -0.278 1.00 16.73 H new ATOM 0 HB3 LEU B 64 -35.465 -21.430 1.360 1.00 16.73 H new ATOM 0 HG LEU B 64 -35.381 -18.509 0.819 1.00 16.88 H new ATOM 0 HD11 LEU B 64 -37.845 -18.257 0.868 1.00 17.47 H new ATOM 0 HD12 LEU B 64 -37.324 -19.148 -0.582 1.00 17.47 H new ATOM 0 HD13 LEU B 64 -38.029 -20.026 0.796 1.00 17.47 H new ATOM 0 HD21 LEU B 64 -36.561 -18.484 3.002 1.00 17.27 H new ATOM 0 HD22 LEU B 64 -36.745 -20.252 2.924 1.00 17.27 H new ATOM 0 HD23 LEU B 64 -35.124 -19.531 3.067 1.00 17.27 H new ATOM 717 N ALA B 65 -31.868 -21.678 0.556 1.00 15.34 N ATOM 718 CA ALA B 65 -30.990 -22.637 1.279 1.00 14.99 C ATOM 719 C ALA B 65 -29.790 -21.893 1.870 1.00 14.10 C ATOM 720 O ALA B 65 -28.698 -22.420 1.947 1.00 13.96 O ATOM 721 CB ALA B 65 -30.498 -23.710 0.306 1.00 15.58 C ATOM 0 H ALA B 65 -31.473 -21.282 -0.297 1.00 15.34 H new ATOM 0 HA ALA B 65 -31.554 -23.107 2.085 1.00 14.99 H new ATOM 0 HB1 ALA B 65 -29.855 -24.413 0.835 1.00 15.58 H new ATOM 0 HB2 ALA B 65 -31.353 -24.243 -0.111 1.00 15.58 H new ATOM 0 HB3 ALA B 65 -29.936 -23.240 -0.501 1.00 15.58 H new ATOM 727 N HIS B 66 -29.982 -20.672 2.288 1.00 13.65 N ATOM 728 CA HIS B 66 -28.851 -19.899 2.873 1.00 12.91 C ATOM 729 C HIS B 66 -27.894 -19.470 1.759 1.00 12.30 C ATOM 730 O HIS B 66 -28.292 -19.269 0.629 1.00 12.38 O ATOM 731 CB HIS B 66 -28.100 -20.775 3.879 1.00 12.96 C ATOM 732 CG HIS B 66 -27.734 -19.954 5.085 1.00 13.34 C ATOM 733 ND1 HIS B 66 -26.431 -19.864 5.550 1.00 13.54 N ATOM 734 CD2 HIS B 66 -28.488 -19.180 5.931 1.00 13.74 C ATOM 735 CE1 HIS B 66 -26.441 -19.062 6.630 1.00 14.03 C ATOM 736 NE2 HIS B 66 -27.670 -18.617 6.906 1.00 14.18 N ATOM 0 H HIS B 66 -30.873 -20.177 2.250 1.00 13.65 H new ATOM 0 HA HIS B 66 -29.240 -19.015 3.378 1.00 12.91 H new ATOM 0 HB2 HIS B 66 -28.721 -21.620 4.176 1.00 12.96 H new ATOM 0 HB3 HIS B 66 -27.201 -21.186 3.419 1.00 12.96 H new ATOM 0 HD2 HIS B 66 -29.555 -19.030 5.852 1.00 13.74 H new ATOM 0 HE1 HIS B 66 -25.562 -18.809 7.204 1.00 14.03 H new ATOM 0 HE2 HIS B 66 -27.949 -17.998 7.667 1.00 14.18 H new ATOM 744 N HIS B 67 -26.634 -19.327 2.069 1.00 11.87 N ATOM 745 CA HIS B 67 -25.653 -18.909 1.028 1.00 11.46 C ATOM 746 C HIS B 67 -24.311 -19.598 1.289 1.00 10.55 C ATOM 747 O HIS B 67 -24.257 -20.692 1.817 1.00 10.53 O ATOM 748 CB HIS B 67 -25.468 -17.392 1.086 1.00 11.84 C ATOM 749 CG HIS B 67 -24.828 -17.016 2.394 1.00 12.35 C ATOM 750 ND1 HIS B 67 -24.496 -17.759 3.499 1.00 12.68 N flip ATOM 751 CD2 HIS B 67 -24.449 -15.715 2.685 1.00 12.80 C flip ATOM 752 CE1 HIS B 67 -23.921 -16.936 4.462 1.00 13.29 C flip ATOM 753 NE2 HIS B 67 -23.916 -15.715 3.920 1.00 13.39 N flip ATOM 0 H HIS B 67 -26.242 -19.482 2.998 1.00 11.87 H new ATOM 0 HA HIS B 67 -26.022 -19.193 0.042 1.00 11.46 H new ATOM 0 HB2 HIS B 67 -24.846 -17.058 0.255 1.00 11.84 H new ATOM 0 HB3 HIS B 67 -26.432 -16.893 0.983 1.00 11.84 H new ATOM 0 HD2 HIS B 67 -24.561 -14.858 2.038 1.00 12.80 H new ATOM 0 HE1 HIS B 67 -23.557 -17.222 5.438 1.00 13.29 H new ATOM 0 HE2 HIS B 67 -23.552 -14.884 4.386 1.00 13.39 H new ATOM 761 N PHE B 68 -23.226 -18.969 0.927 1.00 10.00 N ATOM 762 CA PHE B 68 -21.893 -19.592 1.158 1.00 9.29 C ATOM 763 C PHE B 68 -21.054 -18.684 2.059 1.00 8.27 C ATOM 764 O PHE B 68 -21.439 -17.575 2.370 1.00 8.29 O ATOM 765 CB PHE B 68 -21.180 -19.785 -0.183 1.00 9.52 C ATOM 766 CG PHE B 68 -21.286 -18.520 -1.000 1.00 10.43 C ATOM 767 CD1 PHE B 68 -22.390 -18.316 -1.836 1.00 10.86 C ATOM 768 CD2 PHE B 68 -20.277 -17.552 -0.922 1.00 11.07 C ATOM 769 CE1 PHE B 68 -22.486 -17.143 -2.596 1.00 11.86 C ATOM 770 CE2 PHE B 68 -20.373 -16.379 -1.681 1.00 12.06 C ATOM 771 CZ PHE B 68 -21.478 -16.174 -2.517 1.00 12.43 C ATOM 0 H PHE B 68 -23.206 -18.052 0.482 1.00 10.00 H new ATOM 0 HA PHE B 68 -22.023 -20.560 1.641 1.00 9.29 H new ATOM 0 HB2 PHE B 68 -20.132 -20.036 -0.016 1.00 9.52 H new ATOM 0 HB3 PHE B 68 -21.625 -20.619 -0.726 1.00 9.52 H new ATOM 0 HD1 PHE B 68 -23.168 -19.063 -1.895 1.00 10.86 H new ATOM 0 HD2 PHE B 68 -19.425 -17.710 -0.277 1.00 11.07 H new ATOM 0 HE1 PHE B 68 -23.337 -16.986 -3.242 1.00 11.86 H new ATOM 0 HE2 PHE B 68 -19.595 -15.632 -1.622 1.00 12.06 H new ATOM 0 HZ PHE B 68 -21.553 -15.268 -3.101 1.00 12.43 H new ATOM 781 N SER B 69 -19.909 -19.147 2.484 1.00 7.61 N ATOM 782 CA SER B 69 -19.047 -18.311 3.368 1.00 6.80 C ATOM 783 C SER B 69 -18.681 -17.010 2.648 1.00 5.60 C ATOM 784 O SER B 69 -19.277 -16.652 1.652 1.00 5.39 O ATOM 785 CB SER B 69 -17.773 -19.082 3.712 1.00 7.36 C ATOM 786 OG SER B 69 -18.122 -20.320 4.317 1.00 8.12 O ATOM 0 H SER B 69 -19.534 -20.068 2.257 1.00 7.61 H new ATOM 0 HA SER B 69 -19.588 -18.075 4.285 1.00 6.80 H new ATOM 0 HB2 SER B 69 -17.186 -19.257 2.811 1.00 7.36 H new ATOM 0 HB3 SER B 69 -17.151 -18.496 4.389 1.00 7.36 H new ATOM 0 HG SER B 69 -17.307 -20.818 4.537 1.00 8.12 H new ATOM 792 N GLU B 70 -17.705 -16.301 3.147 1.00 5.12 N ATOM 793 CA GLU B 70 -17.301 -15.023 2.495 1.00 4.22 C ATOM 794 C GLU B 70 -15.859 -14.681 2.894 1.00 3.04 C ATOM 795 O GLU B 70 -15.625 -14.160 3.966 1.00 3.18 O ATOM 796 CB GLU B 70 -18.235 -13.903 2.959 1.00 4.88 C ATOM 797 CG GLU B 70 -19.654 -14.185 2.462 1.00 5.77 C ATOM 798 CD GLU B 70 -20.529 -12.950 2.685 1.00 6.71 C ATOM 799 OE1 GLU B 70 -20.105 -12.072 3.417 1.00 7.09 O ATOM 800 OE2 GLU B 70 -21.610 -12.905 2.120 1.00 7.29 O ATOM 0 H GLU B 70 -17.170 -16.552 3.978 1.00 5.12 H new ATOM 0 HA GLU B 70 -17.364 -15.128 1.412 1.00 4.22 H new ATOM 0 HB2 GLU B 70 -18.226 -13.834 4.047 1.00 4.88 H new ATOM 0 HB3 GLU B 70 -17.888 -12.943 2.576 1.00 4.88 H new ATOM 0 HG2 GLU B 70 -19.635 -14.444 1.403 1.00 5.77 H new ATOM 0 HG3 GLU B 70 -20.073 -15.041 2.992 1.00 5.77 H new ATOM 807 N PRO B 71 -14.933 -14.986 2.017 1.00 2.28 N ATOM 808 CA PRO B 71 -13.501 -14.718 2.260 1.00 1.48 C ATOM 809 C PRO B 71 -13.255 -13.212 2.405 1.00 1.33 C ATOM 810 O PRO B 71 -12.498 -12.623 1.659 1.00 1.29 O ATOM 811 CB PRO B 71 -12.784 -15.263 1.016 1.00 2.00 C ATOM 812 CG PRO B 71 -13.866 -15.805 0.046 1.00 2.71 C ATOM 813 CD PRO B 71 -15.233 -15.620 0.720 1.00 2.87 C ATOM 0 HA PRO B 71 -13.144 -15.184 3.178 1.00 1.48 H new ATOM 0 HB2 PRO B 71 -12.200 -14.477 0.537 1.00 2.00 H new ATOM 0 HB3 PRO B 71 -12.087 -16.055 1.292 1.00 2.00 H new ATOM 0 HG2 PRO B 71 -13.832 -15.269 -0.903 1.00 2.71 H new ATOM 0 HG3 PRO B 71 -13.688 -16.857 -0.176 1.00 2.71 H new ATOM 0 HD2 PRO B 71 -15.890 -14.994 0.116 1.00 2.87 H new ATOM 0 HD3 PRO B 71 -15.740 -16.576 0.855 1.00 2.87 H new ATOM 821 N GLU B 72 -13.889 -12.585 3.359 1.00 1.30 N ATOM 822 CA GLU B 72 -13.692 -11.120 3.549 1.00 1.19 C ATOM 823 C GLU B 72 -12.276 -10.851 4.060 1.00 1.06 C ATOM 824 O GLU B 72 -11.448 -10.303 3.360 1.00 1.01 O ATOM 825 CB GLU B 72 -14.706 -10.596 4.568 1.00 1.29 C ATOM 826 CG GLU B 72 -16.008 -10.228 3.853 1.00 1.90 C ATOM 827 CD GLU B 72 -16.855 -9.335 4.763 1.00 2.25 C ATOM 828 OE1 GLU B 72 -17.642 -9.874 5.522 1.00 2.89 O ATOM 829 OE2 GLU B 72 -16.699 -8.128 4.684 1.00 2.52 O ATOM 0 H GLU B 72 -14.535 -13.024 4.015 1.00 1.30 H new ATOM 0 HA GLU B 72 -13.835 -10.612 2.595 1.00 1.19 H new ATOM 0 HB2 GLU B 72 -14.898 -11.354 5.328 1.00 1.29 H new ATOM 0 HB3 GLU B 72 -14.303 -9.724 5.082 1.00 1.29 H new ATOM 0 HG2 GLU B 72 -15.789 -9.710 2.919 1.00 1.90 H new ATOM 0 HG3 GLU B 72 -16.561 -11.131 3.594 1.00 1.90 H new ATOM 836 N ILE B 73 -11.990 -11.232 5.276 1.00 1.07 N ATOM 837 CA ILE B 73 -10.634 -10.999 5.829 1.00 0.98 C ATOM 838 C ILE B 73 -9.591 -11.563 4.860 1.00 0.89 C ATOM 839 O ILE B 73 -8.510 -11.025 4.717 1.00 0.82 O ATOM 840 CB ILE B 73 -10.532 -11.693 7.191 1.00 1.09 C ATOM 841 CG1 ILE B 73 -9.057 -11.899 7.561 1.00 1.29 C ATOM 842 CG2 ILE B 73 -11.256 -13.042 7.141 1.00 1.27 C ATOM 843 CD1 ILE B 73 -8.509 -13.161 6.884 1.00 2.11 C ATOM 0 H ILE B 73 -12.642 -11.696 5.908 1.00 1.07 H new ATOM 0 HA ILE B 73 -10.452 -9.932 5.956 1.00 0.98 H new ATOM 0 HB ILE B 73 -11.002 -11.067 7.949 1.00 1.09 H new ATOM 0 HG12 ILE B 73 -8.474 -11.031 7.254 1.00 1.29 H new ATOM 0 HG13 ILE B 73 -8.955 -11.985 8.643 1.00 1.29 H new ATOM 0 HG21 ILE B 73 -11.181 -13.532 8.112 1.00 1.27 H new ATOM 0 HG22 ILE B 73 -12.306 -12.883 6.896 1.00 1.27 H new ATOM 0 HG23 ILE B 73 -10.797 -13.673 6.380 1.00 1.27 H new ATOM 0 HD11 ILE B 73 -7.462 -13.294 7.156 1.00 2.11 H new ATOM 0 HD12 ILE B 73 -9.082 -14.028 7.212 1.00 2.11 H new ATOM 0 HD13 ILE B 73 -8.593 -13.059 5.802 1.00 2.11 H new ATOM 855 N THR B 74 -9.906 -12.638 4.194 1.00 0.92 N ATOM 856 CA THR B 74 -8.929 -13.228 3.236 1.00 0.87 C ATOM 857 C THR B 74 -8.655 -12.231 2.111 1.00 0.77 C ATOM 858 O THR B 74 -7.520 -11.982 1.751 1.00 0.69 O ATOM 859 CB THR B 74 -9.510 -14.515 2.645 1.00 0.99 C ATOM 860 OG1 THR B 74 -10.889 -14.604 2.971 1.00 1.57 O ATOM 861 CG2 THR B 74 -8.767 -15.723 3.219 1.00 1.43 C ATOM 0 H THR B 74 -10.795 -13.133 4.271 1.00 0.92 H new ATOM 0 HA THR B 74 -7.999 -13.454 3.757 1.00 0.87 H new ATOM 0 HB THR B 74 -9.394 -14.502 1.561 1.00 0.99 H new ATOM 0 HG1 THR B 74 -11.026 -15.326 3.620 1.00 1.57 H new ATOM 0 HG21 THR B 74 -9.181 -16.639 2.798 1.00 1.43 H new ATOM 0 HG22 THR B 74 -7.709 -15.653 2.966 1.00 1.43 H new ATOM 0 HG23 THR B 74 -8.880 -15.739 4.303 1.00 1.43 H new ATOM 869 N LEU B 75 -9.684 -11.654 1.552 1.00 0.81 N ATOM 870 CA LEU B 75 -9.476 -10.674 0.451 1.00 0.74 C ATOM 871 C LEU B 75 -8.895 -9.383 1.024 1.00 0.62 C ATOM 872 O LEU B 75 -7.941 -8.841 0.506 1.00 0.52 O ATOM 873 CB LEU B 75 -10.819 -10.374 -0.222 1.00 0.87 C ATOM 874 CG LEU B 75 -10.584 -9.733 -1.593 1.00 1.11 C ATOM 875 CD1 LEU B 75 -11.929 -9.476 -2.273 1.00 1.02 C ATOM 876 CD2 LEU B 75 -9.856 -8.400 -1.425 1.00 1.63 C ATOM 0 H LEU B 75 -10.657 -11.819 1.810 1.00 0.81 H new ATOM 0 HA LEU B 75 -8.785 -11.090 -0.283 1.00 0.74 H new ATOM 0 HB2 LEU B 75 -11.393 -11.294 -0.335 1.00 0.87 H new ATOM 0 HB3 LEU B 75 -11.409 -9.705 0.405 1.00 0.87 H new ATOM 0 HG LEU B 75 -9.980 -10.407 -2.201 1.00 1.11 H new ATOM 0 HD11 LEU B 75 -11.762 -9.020 -3.249 1.00 1.02 H new ATOM 0 HD12 LEU B 75 -12.459 -10.420 -2.400 1.00 1.02 H new ATOM 0 HD13 LEU B 75 -12.526 -8.805 -1.656 1.00 1.02 H new ATOM 0 HD21 LEU B 75 -9.692 -7.949 -2.404 1.00 1.63 H new ATOM 0 HD22 LEU B 75 -10.460 -7.730 -0.814 1.00 1.63 H new ATOM 0 HD23 LEU B 75 -8.896 -8.569 -0.938 1.00 1.63 H new ATOM 888 N ILE B 76 -9.458 -8.884 2.088 1.00 0.66 N ATOM 889 CA ILE B 76 -8.921 -7.629 2.676 1.00 0.59 C ATOM 890 C ILE B 76 -7.444 -7.824 3.017 1.00 0.48 C ATOM 891 O ILE B 76 -6.606 -7.011 2.680 1.00 0.39 O ATOM 892 CB ILE B 76 -9.703 -7.292 3.947 1.00 0.70 C ATOM 893 CG1 ILE B 76 -11.159 -7.001 3.580 1.00 0.89 C ATOM 894 CG2 ILE B 76 -9.089 -6.064 4.619 1.00 0.73 C ATOM 895 CD1 ILE B 76 -12.023 -7.039 4.842 1.00 1.02 C ATOM 0 H ILE B 76 -10.260 -9.288 2.572 1.00 0.66 H new ATOM 0 HA ILE B 76 -9.023 -6.813 1.961 1.00 0.59 H new ATOM 0 HB ILE B 76 -9.660 -8.136 4.636 1.00 0.70 H new ATOM 0 HG12 ILE B 76 -11.236 -6.024 3.103 1.00 0.89 H new ATOM 0 HG13 ILE B 76 -11.517 -7.736 2.859 1.00 0.89 H new ATOM 0 HG21 ILE B 76 -9.648 -5.827 5.524 1.00 0.73 H new ATOM 0 HG22 ILE B 76 -8.051 -6.272 4.878 1.00 0.73 H new ATOM 0 HG23 ILE B 76 -9.129 -5.216 3.935 1.00 0.73 H new ATOM 0 HD11 ILE B 76 -13.060 -6.831 4.579 1.00 1.02 H new ATOM 0 HD12 ILE B 76 -11.955 -8.026 5.300 1.00 1.02 H new ATOM 0 HD13 ILE B 76 -11.670 -6.287 5.547 1.00 1.02 H new ATOM 907 N ILE B 77 -7.113 -8.907 3.667 1.00 0.51 N ATOM 908 CA ILE B 77 -5.686 -9.156 4.006 1.00 0.45 C ATOM 909 C ILE B 77 -4.867 -9.172 2.715 1.00 0.35 C ATOM 910 O ILE B 77 -3.836 -8.538 2.605 1.00 0.30 O ATOM 911 CB ILE B 77 -5.559 -10.506 4.717 1.00 0.52 C ATOM 912 CG1 ILE B 77 -6.091 -10.378 6.148 1.00 1.19 C ATOM 913 CG2 ILE B 77 -4.090 -10.933 4.755 1.00 1.41 C ATOM 914 CD1 ILE B 77 -5.099 -9.575 6.994 1.00 1.86 C ATOM 0 H ILE B 77 -7.767 -9.626 3.976 1.00 0.51 H new ATOM 0 HA ILE B 77 -5.317 -8.370 4.665 1.00 0.45 H new ATOM 0 HB ILE B 77 -6.138 -11.255 4.177 1.00 0.52 H new ATOM 0 HG12 ILE B 77 -7.063 -9.885 6.143 1.00 1.19 H new ATOM 0 HG13 ILE B 77 -6.238 -11.367 6.582 1.00 1.19 H new ATOM 0 HG21 ILE B 77 -4.003 -11.894 5.262 1.00 1.41 H new ATOM 0 HG22 ILE B 77 -3.711 -11.024 3.737 1.00 1.41 H new ATOM 0 HG23 ILE B 77 -3.508 -10.185 5.293 1.00 1.41 H new ATOM 0 HD11 ILE B 77 -5.479 -9.485 8.012 1.00 1.86 H new ATOM 0 HD12 ILE B 77 -4.137 -10.087 7.010 1.00 1.86 H new ATOM 0 HD13 ILE B 77 -4.975 -8.581 6.564 1.00 1.86 H new ATOM 926 N PHE B 78 -5.336 -9.892 1.733 1.00 0.37 N ATOM 927 CA PHE B 78 -4.607 -9.958 0.434 1.00 0.34 C ATOM 928 C PHE B 78 -4.451 -8.539 -0.132 1.00 0.29 C ATOM 929 O PHE B 78 -3.387 -8.153 -0.574 1.00 0.27 O ATOM 930 CB PHE B 78 -5.365 -10.889 -0.544 1.00 0.44 C ATOM 931 CG PHE B 78 -5.679 -10.187 -1.847 1.00 1.05 C ATOM 932 CD1 PHE B 78 -4.651 -9.869 -2.740 1.00 1.97 C ATOM 933 CD2 PHE B 78 -7.001 -9.857 -2.153 1.00 1.80 C ATOM 934 CE1 PHE B 78 -4.947 -9.220 -3.945 1.00 2.71 C ATOM 935 CE2 PHE B 78 -7.300 -9.208 -3.357 1.00 2.57 C ATOM 936 CZ PHE B 78 -6.272 -8.888 -4.253 1.00 2.81 C ATOM 0 H PHE B 78 -6.196 -10.439 1.774 1.00 0.37 H new ATOM 0 HA PHE B 78 -3.611 -10.375 0.581 1.00 0.34 H new ATOM 0 HB2 PHE B 78 -4.764 -11.776 -0.743 1.00 0.44 H new ATOM 0 HB3 PHE B 78 -6.291 -11.229 -0.080 1.00 0.44 H new ATOM 0 HD1 PHE B 78 -3.629 -10.124 -2.500 1.00 1.97 H new ATOM 0 HD2 PHE B 78 -7.793 -10.102 -1.461 1.00 1.80 H new ATOM 0 HE1 PHE B 78 -4.154 -8.976 -4.636 1.00 2.71 H new ATOM 0 HE2 PHE B 78 -8.323 -8.954 -3.595 1.00 2.57 H new ATOM 0 HZ PHE B 78 -6.501 -8.385 -5.181 1.00 2.81 H new ATOM 946 N GLY B 79 -5.507 -7.767 -0.137 1.00 0.30 N ATOM 947 CA GLY B 79 -5.412 -6.385 -0.691 1.00 0.28 C ATOM 948 C GLY B 79 -4.318 -5.609 0.041 1.00 0.22 C ATOM 949 O GLY B 79 -3.488 -4.969 -0.571 1.00 0.23 O ATOM 0 H GLY B 79 -6.426 -8.033 0.217 1.00 0.30 H new ATOM 0 HA2 GLY B 79 -5.191 -6.425 -1.758 1.00 0.28 H new ATOM 0 HA3 GLY B 79 -6.368 -5.873 -0.583 1.00 0.28 H new ATOM 953 N VAL B 80 -4.299 -5.661 1.346 1.00 0.22 N ATOM 954 CA VAL B 80 -3.242 -4.923 2.088 1.00 0.23 C ATOM 955 C VAL B 80 -1.873 -5.405 1.601 1.00 0.22 C ATOM 956 O VAL B 80 -1.003 -4.619 1.271 1.00 0.23 O ATOM 957 CB VAL B 80 -3.396 -5.191 3.586 1.00 0.27 C ATOM 958 CG1 VAL B 80 -2.167 -4.666 4.332 1.00 0.33 C ATOM 959 CG2 VAL B 80 -4.651 -4.473 4.100 1.00 0.30 C ATOM 0 H VAL B 80 -4.963 -6.177 1.923 1.00 0.22 H new ATOM 0 HA VAL B 80 -3.332 -3.851 1.911 1.00 0.23 H new ATOM 0 HB VAL B 80 -3.489 -6.263 3.757 1.00 0.27 H new ATOM 0 HG11 VAL B 80 -2.279 -4.858 5.399 1.00 0.33 H new ATOM 0 HG12 VAL B 80 -1.274 -5.172 3.964 1.00 0.33 H new ATOM 0 HG13 VAL B 80 -2.071 -3.593 4.165 1.00 0.33 H new ATOM 0 HG21 VAL B 80 -4.766 -4.661 5.168 1.00 0.30 H new ATOM 0 HG22 VAL B 80 -4.553 -3.401 3.928 1.00 0.30 H new ATOM 0 HG23 VAL B 80 -5.527 -4.847 3.570 1.00 0.30 H new ATOM 969 N MET B 81 -1.688 -6.695 1.519 1.00 0.22 N ATOM 970 CA MET B 81 -0.393 -7.233 1.016 1.00 0.23 C ATOM 971 C MET B 81 -0.143 -6.680 -0.388 1.00 0.24 C ATOM 972 O MET B 81 0.934 -6.213 -0.708 1.00 0.25 O ATOM 973 CB MET B 81 -0.460 -8.760 0.959 1.00 0.26 C ATOM 974 CG MET B 81 -0.477 -9.324 2.380 1.00 0.32 C ATOM 975 SD MET B 81 1.211 -9.362 3.033 1.00 1.15 S ATOM 976 CE MET B 81 1.566 -11.094 2.643 1.00 1.83 C ATOM 0 H MET B 81 -2.379 -7.399 1.779 1.00 0.22 H new ATOM 0 HA MET B 81 0.416 -6.935 1.683 1.00 0.23 H new ATOM 0 HB2 MET B 81 -1.354 -9.075 0.421 1.00 0.26 H new ATOM 0 HB3 MET B 81 0.397 -9.152 0.411 1.00 0.26 H new ATOM 0 HG2 MET B 81 -1.112 -8.710 3.019 1.00 0.32 H new ATOM 0 HG3 MET B 81 -0.901 -10.328 2.379 1.00 0.32 H new ATOM 0 HE1 MET B 81 2.578 -11.340 2.966 1.00 1.83 H new ATOM 0 HE2 MET B 81 0.854 -11.737 3.160 1.00 1.83 H new ATOM 0 HE3 MET B 81 1.481 -11.250 1.568 1.00 1.83 H new ATOM 986 N ALA B 82 -1.141 -6.737 -1.227 1.00 0.25 N ATOM 987 CA ALA B 82 -0.996 -6.226 -2.618 1.00 0.27 C ATOM 988 C ALA B 82 -0.567 -4.756 -2.588 1.00 0.26 C ATOM 989 O ALA B 82 0.327 -4.354 -3.307 1.00 0.27 O ATOM 990 CB ALA B 82 -2.320 -6.384 -3.379 1.00 0.31 C ATOM 0 H ALA B 82 -2.060 -7.120 -1.005 1.00 0.25 H new ATOM 0 HA ALA B 82 -0.230 -6.805 -3.134 1.00 0.27 H new ATOM 0 HB1 ALA B 82 -2.203 -6.007 -4.395 1.00 0.31 H new ATOM 0 HB2 ALA B 82 -2.597 -7.438 -3.412 1.00 0.31 H new ATOM 0 HB3 ALA B 82 -3.102 -5.819 -2.871 1.00 0.31 H new ATOM 996 N GLY B 83 -1.193 -3.939 -1.777 1.00 0.25 N ATOM 997 CA GLY B 83 -0.799 -2.505 -1.739 1.00 0.26 C ATOM 998 C GLY B 83 0.690 -2.403 -1.415 1.00 0.24 C ATOM 999 O GLY B 83 1.426 -1.689 -2.067 1.00 0.24 O ATOM 0 H GLY B 83 -1.951 -4.203 -1.148 1.00 0.25 H new ATOM 0 HA2 GLY B 83 -1.008 -2.032 -2.699 1.00 0.26 H new ATOM 0 HA3 GLY B 83 -1.384 -1.974 -0.988 1.00 0.26 H new ATOM 1003 N VAL B 84 1.150 -3.116 -0.422 1.00 0.22 N ATOM 1004 CA VAL B 84 2.603 -3.050 -0.088 1.00 0.21 C ATOM 1005 C VAL B 84 3.423 -3.439 -1.326 1.00 0.21 C ATOM 1006 O VAL B 84 4.366 -2.766 -1.695 1.00 0.21 O ATOM 1007 CB VAL B 84 2.909 -4.020 1.055 1.00 0.23 C ATOM 1008 CG1 VAL B 84 4.394 -3.933 1.414 1.00 0.28 C ATOM 1009 CG2 VAL B 84 2.068 -3.648 2.277 1.00 0.31 C ATOM 0 H VAL B 84 0.591 -3.734 0.166 1.00 0.22 H new ATOM 0 HA VAL B 84 2.863 -2.037 0.220 1.00 0.21 H new ATOM 0 HB VAL B 84 2.669 -5.036 0.743 1.00 0.23 H new ATOM 0 HG11 VAL B 84 4.613 -4.624 2.228 1.00 0.28 H new ATOM 0 HG12 VAL B 84 4.995 -4.196 0.544 1.00 0.28 H new ATOM 0 HG13 VAL B 84 4.634 -2.917 1.726 1.00 0.28 H new ATOM 0 HG21 VAL B 84 2.285 -4.338 3.092 1.00 0.31 H new ATOM 0 HG22 VAL B 84 2.309 -2.632 2.589 1.00 0.31 H new ATOM 0 HG23 VAL B 84 1.010 -3.708 2.023 1.00 0.31 H new ATOM 1019 N ILE B 85 3.063 -4.518 -1.973 1.00 0.23 N ATOM 1020 CA ILE B 85 3.812 -4.948 -3.190 1.00 0.25 C ATOM 1021 C ILE B 85 3.805 -3.822 -4.229 1.00 0.26 C ATOM 1022 O ILE B 85 4.822 -3.488 -4.804 1.00 0.26 O ATOM 1023 CB ILE B 85 3.145 -6.188 -3.785 1.00 0.30 C ATOM 1024 CG1 ILE B 85 3.358 -7.381 -2.849 1.00 0.32 C ATOM 1025 CG2 ILE B 85 3.763 -6.496 -5.149 1.00 0.40 C ATOM 1026 CD1 ILE B 85 2.595 -8.593 -3.385 1.00 1.06 C ATOM 0 H ILE B 85 2.282 -5.119 -1.710 1.00 0.23 H new ATOM 0 HA ILE B 85 4.841 -5.179 -2.915 1.00 0.25 H new ATOM 0 HB ILE B 85 2.077 -6.003 -3.903 1.00 0.30 H new ATOM 0 HG12 ILE B 85 4.421 -7.612 -2.773 1.00 0.32 H new ATOM 0 HG13 ILE B 85 3.012 -7.135 -1.845 1.00 0.32 H new ATOM 0 HG21 ILE B 85 3.287 -7.380 -5.573 1.00 0.40 H new ATOM 0 HG22 ILE B 85 3.612 -5.648 -5.817 1.00 0.40 H new ATOM 0 HG23 ILE B 85 4.831 -6.680 -5.031 1.00 0.40 H new ATOM 0 HD11 ILE B 85 2.747 -9.442 -2.719 1.00 1.06 H new ATOM 0 HD12 ILE B 85 1.532 -8.359 -3.438 1.00 1.06 H new ATOM 0 HD13 ILE B 85 2.962 -8.843 -4.380 1.00 1.06 H new ATOM 1038 N GLY B 86 2.663 -3.237 -4.476 1.00 0.27 N ATOM 1039 CA GLY B 86 2.584 -2.139 -5.478 1.00 0.30 C ATOM 1040 C GLY B 86 3.554 -1.023 -5.093 1.00 0.27 C ATOM 1041 O GLY B 86 4.296 -0.522 -5.915 1.00 0.29 O ATOM 0 H GLY B 86 1.780 -3.475 -4.024 1.00 0.27 H new ATOM 0 HA2 GLY B 86 2.827 -2.520 -6.470 1.00 0.30 H new ATOM 0 HA3 GLY B 86 1.567 -1.750 -5.527 1.00 0.30 H new ATOM 1045 N THR B 87 3.556 -0.625 -3.850 1.00 0.24 N ATOM 1046 CA THR B 87 4.479 0.461 -3.424 1.00 0.24 C ATOM 1047 C THR B 87 5.917 0.062 -3.757 1.00 0.24 C ATOM 1048 O THR B 87 6.670 0.834 -4.316 1.00 0.28 O ATOM 1049 CB THR B 87 4.348 0.684 -1.916 1.00 0.25 C ATOM 1050 OG1 THR B 87 2.993 0.970 -1.598 1.00 0.32 O ATOM 1051 CG2 THR B 87 5.233 1.857 -1.495 1.00 0.28 C ATOM 0 H THR B 87 2.960 -1.004 -3.114 1.00 0.24 H new ATOM 0 HA THR B 87 4.224 1.382 -3.948 1.00 0.24 H new ATOM 0 HB THR B 87 4.663 -0.214 -1.385 1.00 0.25 H new ATOM 0 HG1 THR B 87 2.525 1.273 -2.404 1.00 0.32 H new ATOM 0 HG21 THR B 87 5.140 2.016 -0.421 1.00 0.28 H new ATOM 0 HG22 THR B 87 6.272 1.635 -1.740 1.00 0.28 H new ATOM 0 HG23 THR B 87 4.920 2.757 -2.024 1.00 0.28 H new ATOM 1059 N ILE B 88 6.307 -1.140 -3.428 1.00 0.23 N ATOM 1060 CA ILE B 88 7.696 -1.574 -3.744 1.00 0.29 C ATOM 1061 C ILE B 88 7.933 -1.431 -5.249 1.00 0.33 C ATOM 1062 O ILE B 88 8.931 -0.890 -5.686 1.00 0.40 O ATOM 1063 CB ILE B 88 7.882 -3.036 -3.334 1.00 0.33 C ATOM 1064 CG1 ILE B 88 7.817 -3.150 -1.809 1.00 0.34 C ATOM 1065 CG2 ILE B 88 9.242 -3.536 -3.822 1.00 0.40 C ATOM 1066 CD1 ILE B 88 7.960 -4.618 -1.400 1.00 0.41 C ATOM 0 H ILE B 88 5.728 -1.835 -2.957 1.00 0.23 H new ATOM 0 HA ILE B 88 8.408 -0.955 -3.198 1.00 0.29 H new ATOM 0 HB ILE B 88 7.092 -3.640 -3.780 1.00 0.33 H new ATOM 0 HG12 ILE B 88 8.610 -2.556 -1.355 1.00 0.34 H new ATOM 0 HG13 ILE B 88 6.871 -2.750 -1.444 1.00 0.34 H new ATOM 0 HG21 ILE B 88 9.373 -4.578 -3.529 1.00 0.40 H new ATOM 0 HG22 ILE B 88 9.291 -3.455 -4.908 1.00 0.40 H new ATOM 0 HG23 ILE B 88 10.033 -2.932 -3.377 1.00 0.40 H new ATOM 0 HD11 ILE B 88 7.914 -4.699 -0.314 1.00 0.41 H new ATOM 0 HD12 ILE B 88 7.151 -5.199 -1.842 1.00 0.41 H new ATOM 0 HD13 ILE B 88 8.917 -5.002 -1.752 1.00 0.41 H new ATOM 1078 N LEU B 89 7.014 -1.904 -6.047 1.00 0.33 N ATOM 1079 CA LEU B 89 7.170 -1.789 -7.524 1.00 0.41 C ATOM 1080 C LEU B 89 7.338 -0.309 -7.895 1.00 0.44 C ATOM 1081 O LEU B 89 8.209 0.056 -8.661 1.00 0.51 O ATOM 1082 CB LEU B 89 5.932 -2.413 -8.208 1.00 0.44 C ATOM 1083 CG LEU B 89 5.250 -1.418 -9.159 1.00 0.76 C ATOM 1084 CD1 LEU B 89 6.176 -1.121 -10.340 1.00 1.14 C ATOM 1085 CD2 LEU B 89 3.943 -2.024 -9.676 1.00 1.06 C ATOM 0 H LEU B 89 6.159 -2.367 -5.738 1.00 0.33 H new ATOM 0 HA LEU B 89 8.055 -2.326 -7.866 1.00 0.41 H new ATOM 0 HB2 LEU B 89 6.232 -3.301 -8.764 1.00 0.44 H new ATOM 0 HB3 LEU B 89 5.221 -2.737 -7.448 1.00 0.44 H new ATOM 0 HG LEU B 89 5.037 -0.492 -8.624 1.00 0.76 H new ATOM 0 HD11 LEU B 89 5.691 -0.415 -11.014 1.00 1.14 H new ATOM 0 HD12 LEU B 89 7.108 -0.691 -9.973 1.00 1.14 H new ATOM 0 HD13 LEU B 89 6.390 -2.046 -10.876 1.00 1.14 H new ATOM 0 HD21 LEU B 89 3.457 -1.319 -10.351 1.00 1.06 H new ATOM 0 HD22 LEU B 89 4.157 -2.950 -10.210 1.00 1.06 H new ATOM 0 HD23 LEU B 89 3.282 -2.235 -8.835 1.00 1.06 H new ATOM 1097 N LEU B 90 6.507 0.543 -7.357 1.00 0.40 N ATOM 1098 CA LEU B 90 6.613 1.998 -7.679 1.00 0.47 C ATOM 1099 C LEU B 90 8.018 2.492 -7.331 1.00 0.51 C ATOM 1100 O LEU B 90 8.657 3.173 -8.109 1.00 0.60 O ATOM 1101 CB LEU B 90 5.580 2.788 -6.869 1.00 0.47 C ATOM 1102 CG LEU B 90 5.147 4.020 -7.664 1.00 1.14 C ATOM 1103 CD1 LEU B 90 6.381 4.835 -8.059 1.00 2.02 C ATOM 1104 CD2 LEU B 90 4.409 3.573 -8.928 1.00 1.67 C ATOM 0 H LEU B 90 5.759 0.296 -6.709 1.00 0.40 H new ATOM 0 HA LEU B 90 6.423 2.146 -8.742 1.00 0.47 H new ATOM 0 HB2 LEU B 90 4.716 2.161 -6.650 1.00 0.47 H new ATOM 0 HB3 LEU B 90 6.005 3.090 -5.912 1.00 0.47 H new ATOM 0 HG LEU B 90 4.487 4.634 -7.051 1.00 1.14 H new ATOM 0 HD11 LEU B 90 6.071 5.713 -8.626 1.00 2.02 H new ATOM 0 HD12 LEU B 90 6.911 5.151 -7.161 1.00 2.02 H new ATOM 0 HD13 LEU B 90 7.041 4.222 -8.672 1.00 2.02 H new ATOM 0 HD21 LEU B 90 4.099 4.449 -9.497 1.00 1.67 H new ATOM 0 HD22 LEU B 90 5.072 2.960 -9.538 1.00 1.67 H new ATOM 0 HD23 LEU B 90 3.530 2.991 -8.650 1.00 1.67 H new ATOM 1116 N ILE B 91 8.508 2.152 -6.171 1.00 0.47 N ATOM 1117 CA ILE B 91 9.873 2.602 -5.782 1.00 0.57 C ATOM 1118 C ILE B 91 10.870 2.130 -6.835 1.00 0.65 C ATOM 1119 O ILE B 91 11.701 2.886 -7.297 1.00 0.77 O ATOM 1120 CB ILE B 91 10.244 2.009 -4.420 1.00 0.55 C ATOM 1121 CG1 ILE B 91 9.216 2.449 -3.374 1.00 0.51 C ATOM 1122 CG2 ILE B 91 11.630 2.503 -4.006 1.00 0.66 C ATOM 1123 CD1 ILE B 91 9.448 1.676 -2.073 1.00 0.54 C ATOM 0 H ILE B 91 8.023 1.583 -5.477 1.00 0.47 H new ATOM 0 HA ILE B 91 9.895 3.690 -5.714 1.00 0.57 H new ATOM 0 HB ILE B 91 10.252 0.921 -4.490 1.00 0.55 H new ATOM 0 HG12 ILE B 91 9.301 3.520 -3.193 1.00 0.51 H new ATOM 0 HG13 ILE B 91 8.206 2.267 -3.742 1.00 0.51 H new ATOM 0 HG21 ILE B 91 11.892 2.080 -3.036 1.00 0.66 H new ATOM 0 HG22 ILE B 91 12.364 2.191 -4.749 1.00 0.66 H new ATOM 0 HG23 ILE B 91 11.623 3.591 -3.937 1.00 0.66 H new ATOM 0 HD11 ILE B 91 8.716 1.989 -1.328 1.00 0.54 H new ATOM 0 HD12 ILE B 91 9.341 0.608 -2.260 1.00 0.54 H new ATOM 0 HD13 ILE B 91 10.453 1.880 -1.703 1.00 0.54 H new ATOM 1135 N SER B 92 10.795 0.891 -7.233 1.00 0.63 N ATOM 1136 CA SER B 92 11.747 0.400 -8.265 1.00 0.76 C ATOM 1137 C SER B 92 11.624 1.285 -9.504 1.00 0.83 C ATOM 1138 O SER B 92 12.607 1.745 -10.049 1.00 0.95 O ATOM 1139 CB SER B 92 11.406 -1.044 -8.631 1.00 0.74 C ATOM 1140 OG SER B 92 12.000 -1.922 -7.684 1.00 1.53 O ATOM 0 H SER B 92 10.123 0.204 -6.892 1.00 0.63 H new ATOM 0 HA SER B 92 12.766 0.438 -7.880 1.00 0.76 H new ATOM 0 HB2 SER B 92 10.325 -1.182 -8.644 1.00 0.74 H new ATOM 0 HB3 SER B 92 11.769 -1.272 -9.633 1.00 0.74 H new ATOM 0 HG SER B 92 11.781 -2.849 -7.915 1.00 1.53 H new ATOM 1146 N TYR B 93 10.422 1.545 -9.945 1.00 0.77 N ATOM 1147 CA TYR B 93 10.250 2.419 -11.139 1.00 0.87 C ATOM 1148 C TYR B 93 10.912 3.776 -10.870 1.00 0.94 C ATOM 1149 O TYR B 93 11.652 4.293 -11.681 1.00 1.07 O ATOM 1150 CB TYR B 93 8.758 2.627 -11.410 1.00 0.83 C ATOM 1151 CG TYR B 93 8.492 2.514 -12.892 1.00 1.09 C ATOM 1152 CD1 TYR B 93 8.403 1.253 -13.494 1.00 1.74 C ATOM 1153 CD2 TYR B 93 8.334 3.672 -13.665 1.00 1.68 C ATOM 1154 CE1 TYR B 93 8.154 1.150 -14.868 1.00 1.99 C ATOM 1155 CE2 TYR B 93 8.087 3.568 -15.039 1.00 2.03 C ATOM 1156 CZ TYR B 93 7.997 2.308 -15.640 1.00 1.84 C ATOM 1157 OH TYR B 93 7.750 2.205 -16.994 1.00 2.25 O ATOM 0 H TYR B 93 9.558 1.192 -9.533 1.00 0.77 H new ATOM 0 HA TYR B 93 10.714 1.949 -12.006 1.00 0.87 H new ATOM 0 HB2 TYR B 93 8.173 1.885 -10.868 1.00 0.83 H new ATOM 0 HB3 TYR B 93 8.445 3.606 -11.048 1.00 0.83 H new ATOM 0 HD1 TYR B 93 8.526 0.360 -12.899 1.00 1.74 H new ATOM 0 HD2 TYR B 93 8.403 4.645 -13.201 1.00 1.68 H new ATOM 0 HE1 TYR B 93 8.083 0.178 -15.333 1.00 1.99 H new ATOM 0 HE2 TYR B 93 7.966 4.460 -15.635 1.00 2.03 H new ATOM 0 HH TYR B 93 7.666 3.102 -17.380 1.00 2.25 H new ATOM 1167 N GLY B 94 10.655 4.359 -9.733 1.00 0.88 N ATOM 1168 CA GLY B 94 11.284 5.672 -9.423 1.00 0.98 C ATOM 1169 C GLY B 94 12.807 5.537 -9.490 1.00 1.10 C ATOM 1170 O GLY B 94 13.487 6.351 -10.082 1.00 1.24 O ATOM 0 H GLY B 94 10.041 3.986 -9.009 1.00 0.88 H new ATOM 0 HA2 GLY B 94 10.944 6.427 -10.132 1.00 0.98 H new ATOM 0 HA3 GLY B 94 10.981 6.007 -8.431 1.00 0.98 H new ATOM 1174 N ILE B 95 13.348 4.518 -8.872 1.00 1.07 N ATOM 1175 CA ILE B 95 14.833 4.342 -8.888 1.00 1.22 C ATOM 1176 C ILE B 95 15.351 4.259 -10.332 1.00 1.34 C ATOM 1177 O ILE B 95 16.306 4.921 -10.690 1.00 1.50 O ATOM 1178 CB ILE B 95 15.200 3.059 -8.128 1.00 1.20 C ATOM 1179 CG1 ILE B 95 15.119 3.320 -6.621 1.00 1.37 C ATOM 1180 CG2 ILE B 95 16.626 2.630 -8.485 1.00 1.50 C ATOM 1181 CD1 ILE B 95 13.905 2.594 -6.040 1.00 1.81 C ATOM 0 H ILE B 95 12.830 3.804 -8.360 1.00 1.07 H new ATOM 0 HA ILE B 95 15.297 5.201 -8.404 1.00 1.22 H new ATOM 0 HB ILE B 95 14.503 2.268 -8.407 1.00 1.20 H new ATOM 0 HG12 ILE B 95 16.030 2.975 -6.132 1.00 1.37 H new ATOM 0 HG13 ILE B 95 15.041 4.390 -6.431 1.00 1.37 H new ATOM 0 HG21 ILE B 95 16.879 1.719 -7.942 1.00 1.50 H new ATOM 0 HG22 ILE B 95 16.692 2.443 -9.557 1.00 1.50 H new ATOM 0 HG23 ILE B 95 17.323 3.421 -8.211 1.00 1.50 H new ATOM 0 HD11 ILE B 95 13.848 2.780 -4.968 1.00 1.81 H new ATOM 0 HD12 ILE B 95 12.998 2.960 -6.520 1.00 1.81 H new ATOM 0 HD13 ILE B 95 14.002 1.523 -6.217 1.00 1.81 H new ATOM 1193 N ARG B 96 14.738 3.459 -11.167 1.00 1.29 N ATOM 1194 CA ARG B 96 15.222 3.362 -12.576 1.00 1.42 C ATOM 1195 C ARG B 96 15.196 4.751 -13.216 1.00 1.52 C ATOM 1196 O ARG B 96 16.142 5.171 -13.853 1.00 1.68 O ATOM 1197 CB ARG B 96 14.361 2.385 -13.390 1.00 1.36 C ATOM 1198 CG ARG B 96 12.877 2.647 -13.145 1.00 1.61 C ATOM 1199 CD ARG B 96 12.043 1.673 -13.980 1.00 1.77 C ATOM 1200 NE ARG B 96 12.315 0.278 -13.531 1.00 1.70 N ATOM 1201 CZ ARG B 96 11.517 -0.690 -13.888 1.00 2.10 C ATOM 1202 NH1 ARG B 96 10.423 -0.916 -13.214 1.00 2.69 N ATOM 1203 NH2 ARG B 96 11.811 -1.429 -14.922 1.00 2.54 N ATOM 0 H ARG B 96 13.933 2.876 -10.938 1.00 1.29 H new ATOM 0 HA ARG B 96 16.243 2.981 -12.571 1.00 1.42 H new ATOM 0 HB2 ARG B 96 14.585 2.492 -14.451 1.00 1.36 H new ATOM 0 HB3 ARG B 96 14.605 1.359 -13.114 1.00 1.36 H new ATOM 0 HG2 ARG B 96 12.645 2.526 -12.087 1.00 1.61 H new ATOM 0 HG3 ARG B 96 12.629 3.675 -13.410 1.00 1.61 H new ATOM 0 HD2 ARG B 96 10.982 1.901 -13.873 1.00 1.77 H new ATOM 0 HD3 ARG B 96 12.287 1.781 -15.037 1.00 1.77 H new ATOM 0 HE ARG B 96 13.126 0.080 -12.944 1.00 1.70 H new ATOM 0 HH11 ARG B 96 10.192 -0.336 -12.408 1.00 2.69 H new ATOM 0 HH12 ARG B 96 9.799 -1.673 -13.493 1.00 2.69 H new ATOM 0 HH21 ARG B 96 12.665 -1.250 -15.451 1.00 2.54 H new ATOM 0 HH22 ARG B 96 11.187 -2.186 -15.202 1.00 2.54 H new ATOM 1217 N ARG B 97 14.119 5.469 -13.054 1.00 1.43 N ATOM 1218 CA ARG B 97 14.030 6.830 -13.653 1.00 1.55 C ATOM 1219 C ARG B 97 15.187 7.696 -13.148 1.00 1.67 C ATOM 1220 O ARG B 97 15.844 8.373 -13.913 1.00 1.83 O ATOM 1221 CB ARG B 97 12.701 7.479 -13.264 1.00 1.45 C ATOM 1222 CG ARG B 97 12.692 8.937 -13.731 1.00 1.62 C ATOM 1223 CD ARG B 97 11.484 9.658 -13.131 1.00 1.72 C ATOM 1224 NE ARG B 97 11.843 10.191 -11.786 1.00 2.17 N ATOM 1225 CZ ARG B 97 11.082 11.081 -11.213 1.00 2.50 C ATOM 1226 NH1 ARG B 97 10.922 12.253 -11.763 1.00 2.89 N ATOM 1227 NH2 ARG B 97 10.480 10.798 -10.090 1.00 3.17 N ATOM 0 H ARG B 97 13.295 5.171 -12.532 1.00 1.43 H new ATOM 0 HA ARG B 97 14.089 6.746 -14.738 1.00 1.55 H new ATOM 0 HB2 ARG B 97 11.872 6.935 -13.717 1.00 1.45 H new ATOM 0 HB3 ARG B 97 12.562 7.431 -12.184 1.00 1.45 H new ATOM 0 HG2 ARG B 97 13.613 9.433 -13.426 1.00 1.62 H new ATOM 0 HG3 ARG B 97 12.651 8.981 -14.819 1.00 1.62 H new ATOM 0 HD2 ARG B 97 11.171 10.472 -13.785 1.00 1.72 H new ATOM 0 HD3 ARG B 97 10.641 8.972 -13.049 1.00 1.72 H new ATOM 0 HE ARG B 97 12.684 9.859 -11.314 1.00 2.17 H new ATOM 0 HH11 ARG B 97 11.392 12.473 -12.641 1.00 2.89 H new ATOM 0 HH12 ARG B 97 10.327 12.950 -11.315 1.00 2.89 H new ATOM 0 HH21 ARG B 97 10.605 9.881 -9.661 1.00 3.17 H new ATOM 0 HH22 ARG B 97 9.884 11.494 -9.641 1.00 3.17 H new ATOM 1241 N LEU B 98 15.440 7.689 -11.867 1.00 1.62 N ATOM 1242 CA LEU B 98 16.552 8.523 -11.328 1.00 1.76 C ATOM 1243 C LEU B 98 17.853 8.142 -12.036 1.00 1.92 C ATOM 1244 O LEU B 98 18.600 8.989 -12.484 1.00 2.09 O ATOM 1245 CB LEU B 98 16.698 8.273 -9.826 1.00 1.69 C ATOM 1246 CG LEU B 98 16.288 9.529 -9.053 1.00 1.72 C ATOM 1247 CD1 LEU B 98 15.752 9.128 -7.678 1.00 1.72 C ATOM 1248 CD2 LEU B 98 17.505 10.440 -8.879 1.00 2.01 C ATOM 0 H LEU B 98 14.927 7.144 -11.173 1.00 1.62 H new ATOM 0 HA LEU B 98 16.335 9.577 -11.499 1.00 1.76 H new ATOM 0 HB2 LEU B 98 16.076 7.430 -9.526 1.00 1.69 H new ATOM 0 HB3 LEU B 98 17.729 8.009 -9.590 1.00 1.69 H new ATOM 0 HG LEU B 98 15.512 10.059 -9.606 1.00 1.72 H new ATOM 0 HD11 LEU B 98 15.460 10.022 -7.127 1.00 1.72 H new ATOM 0 HD12 LEU B 98 14.886 8.478 -7.801 1.00 1.72 H new ATOM 0 HD13 LEU B 98 16.528 8.598 -7.125 1.00 1.72 H new ATOM 0 HD21 LEU B 98 17.214 11.335 -8.329 1.00 2.01 H new ATOM 0 HD22 LEU B 98 18.280 9.910 -8.326 1.00 2.01 H new ATOM 0 HD23 LEU B 98 17.889 10.725 -9.858 1.00 2.01 H new ATOM 1260 N ILE B 99 18.125 6.871 -12.149 1.00 1.89 N ATOM 1261 CA ILE B 99 19.371 6.436 -12.839 1.00 2.07 C ATOM 1262 C ILE B 99 19.220 6.672 -14.342 1.00 2.17 C ATOM 1263 O ILE B 99 20.186 6.859 -15.054 1.00 2.50 O ATOM 1264 CB ILE B 99 19.592 4.947 -12.582 1.00 2.14 C ATOM 1265 CG1 ILE B 99 18.366 4.170 -13.064 1.00 2.13 C ATOM 1266 CG2 ILE B 99 19.789 4.709 -11.084 1.00 2.25 C ATOM 1267 CD1 ILE B 99 18.665 2.671 -13.039 1.00 2.38 C ATOM 0 H ILE B 99 17.539 6.116 -11.794 1.00 1.89 H new ATOM 0 HA ILE B 99 20.221 7.004 -12.461 1.00 2.07 H new ATOM 0 HB ILE B 99 20.478 4.609 -13.120 1.00 2.14 H new ATOM 0 HG12 ILE B 99 17.510 4.391 -12.427 1.00 2.13 H new ATOM 0 HG13 ILE B 99 18.100 4.481 -14.074 1.00 2.13 H new ATOM 0 HG21 ILE B 99 19.947 3.646 -10.902 1.00 2.25 H new ATOM 0 HG22 ILE B 99 20.658 5.269 -10.738 1.00 2.25 H new ATOM 0 HG23 ILE B 99 18.903 5.042 -10.543 1.00 2.25 H new ATOM 0 HD11 ILE B 99 17.790 2.120 -13.383 1.00 2.38 H new ATOM 0 HD12 ILE B 99 19.509 2.457 -13.695 1.00 2.38 H new ATOM 0 HD13 ILE B 99 18.909 2.366 -12.022 1.00 2.38 H new ATOM 1279 N LYS B 100 18.009 6.660 -14.828 1.00 2.25 N ATOM 1280 CA LYS B 100 17.781 6.877 -16.284 1.00 2.60 C ATOM 1281 C LYS B 100 17.137 8.248 -16.501 1.00 2.97 C ATOM 1282 O LYS B 100 15.954 8.429 -16.290 1.00 3.27 O ATOM 1283 CB LYS B 100 16.852 5.784 -16.817 1.00 2.80 C ATOM 1284 CG LYS B 100 17.065 5.618 -18.322 1.00 3.38 C ATOM 1285 CD LYS B 100 16.159 6.592 -19.077 1.00 3.94 C ATOM 1286 CE LYS B 100 16.320 6.376 -20.583 1.00 4.56 C ATOM 1287 NZ LYS B 100 17.308 7.352 -21.121 1.00 5.22 N ATOM 0 H LYS B 100 17.164 6.509 -14.276 1.00 2.25 H new ATOM 0 HA LYS B 100 18.733 6.838 -16.814 1.00 2.60 H new ATOM 0 HB2 LYS B 100 17.051 4.842 -16.305 1.00 2.80 H new ATOM 0 HB3 LYS B 100 15.813 6.044 -16.613 1.00 2.80 H new ATOM 0 HG2 LYS B 100 18.109 5.805 -18.575 1.00 3.38 H new ATOM 0 HG3 LYS B 100 16.844 4.593 -18.620 1.00 3.38 H new ATOM 0 HD2 LYS B 100 15.120 6.439 -18.786 1.00 3.94 H new ATOM 0 HD3 LYS B 100 16.415 7.619 -18.817 1.00 3.94 H new ATOM 0 HE2 LYS B 100 16.654 5.357 -20.782 1.00 4.56 H new ATOM 0 HE3 LYS B 100 15.360 6.500 -21.084 1.00 4.56 H new ATOM 0 HZ1 LYS B 100 17.418 7.206 -22.145 1.00 5.22 H new ATOM 0 HZ2 LYS B 100 16.972 8.320 -20.944 1.00 5.22 H new ATOM 0 HZ3 LYS B 100 18.225 7.213 -20.651 1.00 5.22 H new ATOM 1301 N LYS B 101 17.905 9.217 -16.919 1.00 3.27 N ATOM 1302 CA LYS B 101 17.334 10.575 -17.147 1.00 3.83 C ATOM 1303 C LYS B 101 17.034 11.232 -15.799 1.00 4.00 C ATOM 1304 O LYS B 101 15.890 11.596 -15.582 1.00 4.36 O ATOM 1305 CB LYS B 101 16.041 10.457 -17.956 1.00 4.43 C ATOM 1306 CG LYS B 101 15.909 11.666 -18.886 1.00 5.03 C ATOM 1307 CD LYS B 101 17.029 11.632 -19.927 1.00 5.77 C ATOM 1308 CE LYS B 101 17.866 12.907 -19.819 1.00 6.68 C ATOM 1309 NZ LYS B 101 17.198 14.006 -20.573 1.00 7.38 N ATOM 1310 OXT LYS B 101 17.952 11.361 -15.006 1.00 4.28 O ATOM 0 H LYS B 101 18.902 9.127 -17.112 1.00 3.27 H new ATOM 0 HA LYS B 101 18.051 11.183 -17.698 1.00 3.83 H new ATOM 0 HB2 LYS B 101 16.047 9.536 -18.538 1.00 4.43 H new ATOM 0 HB3 LYS B 101 15.183 10.405 -17.285 1.00 4.43 H new ATOM 0 HG2 LYS B 101 14.938 11.654 -19.380 1.00 5.03 H new ATOM 0 HG3 LYS B 101 15.962 12.590 -18.309 1.00 5.03 H new ATOM 0 HD2 LYS B 101 17.659 10.757 -19.770 1.00 5.77 H new ATOM 0 HD3 LYS B 101 16.607 11.545 -20.928 1.00 5.77 H new ATOM 0 HE2 LYS B 101 17.985 13.189 -18.773 1.00 6.68 H new ATOM 0 HE3 LYS B 101 18.866 12.733 -20.218 1.00 6.68 H new ATOM 0 HZ1 LYS B 101 17.767 14.873 -20.500 1.00 7.38 H new ATOM 0 HZ2 LYS B 101 17.107 13.735 -21.573 1.00 7.38 H new ATOM 0 HZ3 LYS B 101 16.253 14.177 -20.173 1.00 7.38 H new TER 1324 LYS B 101