USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 958 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 TYR OH : rot 119:sc= 0.359 USER MOD Set 1.2: A 69 HIS : no HD1:sc= 0.315 K(o=0.67,f=-0.0057) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.147 K(o=0.58,f=-0.42) USER MOD Set 2.2: A 16 SER OG : rot 81:sc= 0.435 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00715 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 24 LYS NZ :NH3+ -131:sc= -0.0827 (180deg=-0.275) USER MOD Single : A 26 MET CE :methyl -177:sc= 0 (180deg=-0.013) USER MOD Single : A 27 CYS SG : rot 160:sc= -4.05! USER MOD Single : A 29 SER OG : rot 45:sc= 0.775 USER MOD Single : A 30 MET CE :methyl 160:sc= -0.384 (180deg=-1.15) USER MOD Single : A 32 SER OG : rot 180:sc= -0.996 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 38 SER OG : rot -41:sc= 0.177 USER MOD Single : A 46 SER OG : rot 29:sc= 0.463 USER MOD Single : A 48 ASN : amide:sc= -1.23 K(o=-1.2,f=-8.7!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 165:sc= -0.113 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0039 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 9:sc= 0.0161 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.601 USER MOD Single : A 99 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-1.4) USER MOD Single : A 100 THR OG1 : rot 33:sc= -0.733! USER MOD Single : A 108 SER OG : rot -87:sc= 0.675 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 175:sc= 1.39 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot -136:sc= -0.483 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= -0.464 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.941 -0.589 -33.497 1.00 0.00 N ATOM 2 CA GLY A 1 -13.037 0.270 -34.239 1.00 0.00 C ATOM 3 C GLY A 1 -11.762 0.567 -33.475 1.00 0.00 C ATOM 4 O GLY A 1 -11.553 1.689 -33.014 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.797 -0.762 -34.062 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.471 -1.494 -33.294 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.204 -0.127 -32.603 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.786 -0.205 -35.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.542 1.207 -34.475 1.00 0.00 H new ATOM 8 N SER A 2 -10.907 -0.442 -33.338 1.00 0.00 N ATOM 9 CA SER A 2 -9.648 -0.286 -32.619 1.00 0.00 C ATOM 10 C SER A 2 -8.574 0.305 -33.527 1.00 0.00 C ATOM 11 O SER A 2 -8.651 0.195 -34.751 1.00 0.00 O ATOM 12 CB SER A 2 -9.181 -1.634 -32.067 1.00 0.00 C ATOM 13 OG SER A 2 -10.209 -2.264 -31.322 1.00 0.00 O ATOM 0 H SER A 2 -11.064 -1.376 -33.716 1.00 0.00 H new ATOM 0 HA SER A 2 -9.815 0.400 -31.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.875 -2.281 -32.889 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.306 -1.488 -31.434 1.00 0.00 H new ATOM 0 HG SER A 2 -9.886 -3.124 -30.982 1.00 0.00 H new ATOM 19 N SER A 3 -7.572 0.932 -32.919 1.00 0.00 N ATOM 20 CA SER A 3 -6.484 1.543 -33.671 1.00 0.00 C ATOM 21 C SER A 3 -5.167 0.817 -33.410 1.00 0.00 C ATOM 22 O SER A 3 -4.977 0.214 -32.355 1.00 0.00 O ATOM 23 CB SER A 3 -6.346 3.021 -33.300 1.00 0.00 C ATOM 24 OG SER A 3 -5.191 3.590 -33.892 1.00 0.00 O ATOM 0 H SER A 3 -7.492 1.030 -31.907 1.00 0.00 H new ATOM 0 HA SER A 3 -6.719 1.462 -34.732 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.232 3.565 -33.627 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.291 3.123 -32.216 1.00 0.00 H new ATOM 0 HG SER A 3 -5.127 4.535 -33.641 1.00 0.00 H new ATOM 30 N GLY A 4 -4.261 0.880 -34.381 1.00 0.00 N ATOM 31 CA GLY A 4 -2.974 0.224 -34.239 1.00 0.00 C ATOM 32 C GLY A 4 -1.819 1.122 -34.635 1.00 0.00 C ATOM 33 O GLY A 4 -1.991 2.056 -35.418 1.00 0.00 O ATOM 0 H GLY A 4 -4.395 1.374 -35.263 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.844 -0.095 -33.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.958 -0.676 -34.854 1.00 0.00 H new ATOM 37 N SER A 5 -0.639 0.840 -34.092 1.00 0.00 N ATOM 38 CA SER A 5 0.548 1.633 -34.389 1.00 0.00 C ATOM 39 C SER A 5 1.811 0.787 -34.265 1.00 0.00 C ATOM 40 O SER A 5 1.998 0.071 -33.281 1.00 0.00 O ATOM 41 CB SER A 5 0.632 2.836 -33.448 1.00 0.00 C ATOM 42 OG SER A 5 1.809 3.590 -33.688 1.00 0.00 O ATOM 0 H SER A 5 -0.480 0.068 -33.444 1.00 0.00 H new ATOM 0 HA SER A 5 0.469 1.989 -35.416 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.244 3.470 -33.584 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.620 2.494 -32.413 1.00 0.00 H new ATOM 0 HG SER A 5 1.839 4.354 -33.075 1.00 0.00 H new ATOM 48 N SER A 6 2.676 0.874 -35.271 1.00 0.00 N ATOM 49 CA SER A 6 3.920 0.114 -35.278 1.00 0.00 C ATOM 50 C SER A 6 4.751 0.420 -34.036 1.00 0.00 C ATOM 51 O SER A 6 5.053 1.577 -33.747 1.00 0.00 O ATOM 52 CB SER A 6 4.729 0.432 -36.537 1.00 0.00 C ATOM 53 OG SER A 6 4.298 -0.357 -37.633 1.00 0.00 O ATOM 0 H SER A 6 2.538 1.464 -36.092 1.00 0.00 H new ATOM 0 HA SER A 6 3.669 -0.947 -35.274 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.625 1.489 -36.783 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.787 0.251 -36.348 1.00 0.00 H new ATOM 0 HG SER A 6 4.829 -0.134 -38.426 1.00 0.00 H new ATOM 59 N GLY A 7 5.116 -0.627 -33.303 1.00 0.00 N ATOM 60 CA GLY A 7 5.908 -0.451 -32.100 1.00 0.00 C ATOM 61 C GLY A 7 6.063 -1.737 -31.314 1.00 0.00 C ATOM 62 O GLY A 7 5.159 -2.140 -30.580 1.00 0.00 O ATOM 0 H GLY A 7 4.877 -1.594 -33.521 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.894 -0.073 -32.370 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.440 0.303 -31.468 1.00 0.00 H new ATOM 66 N THR A 8 7.212 -2.388 -31.467 1.00 0.00 N ATOM 67 CA THR A 8 7.482 -3.638 -30.768 1.00 0.00 C ATOM 68 C THR A 8 7.139 -3.525 -29.287 1.00 0.00 C ATOM 69 O THR A 8 7.040 -2.424 -28.745 1.00 0.00 O ATOM 70 CB THR A 8 8.958 -4.055 -30.911 1.00 0.00 C ATOM 71 OG1 THR A 8 9.812 -2.997 -30.462 1.00 0.00 O ATOM 72 CG2 THR A 8 9.285 -4.399 -32.357 1.00 0.00 C ATOM 0 H THR A 8 7.971 -2.070 -32.069 1.00 0.00 H new ATOM 0 HA THR A 8 6.851 -4.399 -31.227 1.00 0.00 H new ATOM 0 HB THR A 8 9.124 -4.940 -30.297 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.748 -3.271 -30.555 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.332 -4.691 -32.434 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.654 -5.224 -32.686 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.103 -3.529 -32.988 1.00 0.00 H new ATOM 80 N ILE A 9 6.960 -4.670 -28.637 1.00 0.00 N ATOM 81 CA ILE A 9 6.631 -4.699 -27.217 1.00 0.00 C ATOM 82 C ILE A 9 7.891 -4.778 -26.362 1.00 0.00 C ATOM 83 O ILE A 9 8.818 -5.524 -26.674 1.00 0.00 O ATOM 84 CB ILE A 9 5.716 -5.890 -26.875 1.00 0.00 C ATOM 85 CG1 ILE A 9 4.427 -5.824 -27.697 1.00 0.00 C ATOM 86 CG2 ILE A 9 5.401 -5.906 -25.387 1.00 0.00 C ATOM 87 CD1 ILE A 9 3.606 -4.581 -27.434 1.00 0.00 C ATOM 0 H ILE A 9 7.037 -5.590 -29.071 1.00 0.00 H new ATOM 0 HA ILE A 9 6.103 -3.771 -26.997 1.00 0.00 H new ATOM 0 HB ILE A 9 6.238 -6.813 -27.126 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.679 -5.866 -28.757 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.821 -6.703 -27.478 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.754 -6.753 -25.161 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.328 -5.996 -24.820 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.896 -4.980 -25.112 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.707 -4.601 -28.051 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.323 -4.547 -26.382 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.195 -3.697 -27.680 1.00 0.00 H new ATOM 99 N GLU A 10 7.915 -4.004 -25.281 1.00 0.00 N ATOM 100 CA GLU A 10 9.061 -3.988 -24.379 1.00 0.00 C ATOM 101 C GLU A 10 8.619 -4.196 -22.934 1.00 0.00 C ATOM 102 O GLU A 10 7.649 -3.592 -22.477 1.00 0.00 O ATOM 103 CB GLU A 10 9.820 -2.665 -24.507 1.00 0.00 C ATOM 104 CG GLU A 10 11.294 -2.773 -24.154 1.00 0.00 C ATOM 105 CD GLU A 10 12.133 -1.699 -24.819 1.00 0.00 C ATOM 106 OE1 GLU A 10 11.847 -1.360 -25.986 1.00 0.00 O ATOM 107 OE2 GLU A 10 13.076 -1.198 -24.171 1.00 0.00 O ATOM 0 H GLU A 10 7.155 -3.381 -25.009 1.00 0.00 H new ATOM 0 HA GLU A 10 9.723 -4.807 -24.659 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.726 -2.299 -25.529 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.353 -1.924 -23.859 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.411 -2.703 -23.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.664 -3.754 -24.451 1.00 0.00 H new ATOM 114 N ALA A 11 9.339 -5.054 -22.219 1.00 0.00 N ATOM 115 CA ALA A 11 9.023 -5.341 -20.825 1.00 0.00 C ATOM 116 C ALA A 11 10.163 -6.094 -20.147 1.00 0.00 C ATOM 117 O ALA A 11 11.138 -6.477 -20.795 1.00 0.00 O ATOM 118 CB ALA A 11 7.731 -6.139 -20.730 1.00 0.00 C ATOM 0 H ALA A 11 10.145 -5.563 -22.582 1.00 0.00 H new ATOM 0 HA ALA A 11 8.890 -4.392 -20.306 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.507 -6.346 -19.683 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.915 -5.564 -21.168 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.844 -7.079 -21.270 1.00 0.00 H new ATOM 124 N ARG A 12 10.035 -6.302 -18.841 1.00 0.00 N ATOM 125 CA ARG A 12 11.056 -7.007 -18.076 1.00 0.00 C ATOM 126 C ARG A 12 10.421 -8.024 -17.131 1.00 0.00 C ATOM 127 O ARG A 12 9.333 -7.800 -16.600 1.00 0.00 O ATOM 128 CB ARG A 12 11.903 -6.014 -17.279 1.00 0.00 C ATOM 129 CG ARG A 12 13.042 -5.405 -18.080 1.00 0.00 C ATOM 130 CD ARG A 12 14.131 -4.855 -17.172 1.00 0.00 C ATOM 131 NE ARG A 12 13.854 -3.483 -16.755 1.00 0.00 N ATOM 132 CZ ARG A 12 13.913 -2.440 -17.574 1.00 0.00 C ATOM 133 NH1 ARG A 12 14.236 -2.611 -18.849 1.00 0.00 N ATOM 134 NH2 ARG A 12 13.648 -1.222 -17.120 1.00 0.00 N ATOM 0 H ARG A 12 9.234 -5.992 -18.290 1.00 0.00 H new ATOM 0 HA ARG A 12 11.698 -7.540 -18.778 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.260 -5.214 -16.911 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.314 -6.519 -16.405 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.466 -6.159 -18.743 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.656 -4.606 -18.713 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.224 -5.490 -16.291 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.088 -4.890 -17.692 1.00 0.00 H new ATOM 0 HE ARG A 12 13.601 -3.317 -15.781 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.440 -3.546 -19.203 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.281 -1.808 -19.476 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.399 -1.086 -16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.694 -0.422 -17.751 1.00 0.00 H new ATOM 148 N THR A 13 11.109 -9.143 -16.926 1.00 0.00 N ATOM 149 CA THR A 13 10.613 -10.195 -16.047 1.00 0.00 C ATOM 150 C THR A 13 11.623 -10.518 -14.952 1.00 0.00 C ATOM 151 O THR A 13 12.762 -10.053 -14.988 1.00 0.00 O ATOM 152 CB THR A 13 10.296 -11.481 -16.834 1.00 0.00 C ATOM 153 OG1 THR A 13 11.453 -11.910 -17.559 1.00 0.00 O ATOM 154 CG2 THR A 13 9.142 -11.254 -17.799 1.00 0.00 C ATOM 0 H THR A 13 12.011 -9.344 -17.357 1.00 0.00 H new ATOM 0 HA THR A 13 9.696 -9.821 -15.592 1.00 0.00 H new ATOM 0 HB THR A 13 10.007 -12.254 -16.122 1.00 0.00 H new ATOM 0 HG1 THR A 13 11.243 -12.729 -18.055 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.936 -12.176 -18.343 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.254 -10.956 -17.241 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.407 -10.467 -18.505 1.00 0.00 H new ATOM 162 N ALA A 14 11.198 -11.319 -13.980 1.00 0.00 N ATOM 163 CA ALA A 14 12.067 -11.706 -12.876 1.00 0.00 C ATOM 164 C ALA A 14 11.994 -13.208 -12.621 1.00 0.00 C ATOM 165 O ALA A 14 11.001 -13.855 -12.953 1.00 0.00 O ATOM 166 CB ALA A 14 11.696 -10.936 -11.617 1.00 0.00 C ATOM 0 H ALA A 14 10.258 -11.712 -13.935 1.00 0.00 H new ATOM 0 HA ALA A 14 13.093 -11.460 -13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.353 -11.235 -10.801 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.806 -9.867 -11.799 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.662 -11.154 -11.349 1.00 0.00 H new ATOM 172 N GLN A 15 13.051 -13.755 -12.029 1.00 0.00 N ATOM 173 CA GLN A 15 13.105 -15.182 -11.732 1.00 0.00 C ATOM 174 C GLN A 15 12.117 -15.546 -10.628 1.00 0.00 C ATOM 175 O GLN A 15 11.208 -16.349 -10.836 1.00 0.00 O ATOM 176 CB GLN A 15 14.521 -15.584 -11.317 1.00 0.00 C ATOM 177 CG GLN A 15 14.858 -17.034 -11.628 1.00 0.00 C ATOM 178 CD GLN A 15 14.224 -18.003 -10.650 1.00 0.00 C ATOM 179 OE1 GLN A 15 14.359 -17.853 -9.435 1.00 0.00 O ATOM 180 NE2 GLN A 15 13.527 -19.004 -11.175 1.00 0.00 N ATOM 0 H GLN A 15 13.880 -13.233 -11.746 1.00 0.00 H new ATOM 0 HA GLN A 15 12.830 -15.726 -12.635 1.00 0.00 H new ATOM 0 HB2 GLN A 15 15.237 -14.937 -11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.639 -15.414 -10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 15 14.524 -17.272 -12.638 1.00 0.00 H new ATOM 0 HG3 GLN A 15 15.940 -17.163 -11.612 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.441 -19.090 -12.188 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.077 -19.687 -10.565 1.00 0.00 H new ATOM 189 N SER A 16 12.302 -14.949 -9.455 1.00 0.00 N ATOM 190 CA SER A 16 11.429 -15.214 -8.317 1.00 0.00 C ATOM 191 C SER A 16 10.813 -13.921 -7.793 1.00 0.00 C ATOM 192 O SER A 16 11.520 -13.020 -7.339 1.00 0.00 O ATOM 193 CB SER A 16 12.209 -15.910 -7.200 1.00 0.00 C ATOM 194 OG SER A 16 12.219 -17.315 -7.383 1.00 0.00 O ATOM 0 H SER A 16 13.048 -14.279 -9.268 1.00 0.00 H new ATOM 0 HA SER A 16 10.625 -15.870 -8.652 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.233 -15.536 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.762 -15.669 -6.236 1.00 0.00 H new ATOM 0 HG SER A 16 12.911 -17.555 -8.035 1.00 0.00 H new ATOM 200 N THR A 17 9.488 -13.835 -7.858 1.00 0.00 N ATOM 201 CA THR A 17 8.774 -12.653 -7.392 1.00 0.00 C ATOM 202 C THR A 17 7.479 -13.035 -6.685 1.00 0.00 C ATOM 203 O THR A 17 6.808 -14.002 -7.047 1.00 0.00 O ATOM 204 CB THR A 17 8.448 -11.698 -8.556 1.00 0.00 C ATOM 205 OG1 THR A 17 8.030 -12.448 -9.702 1.00 0.00 O ATOM 206 CG2 THR A 17 9.657 -10.848 -8.914 1.00 0.00 C ATOM 0 H THR A 17 8.887 -14.571 -8.229 1.00 0.00 H new ATOM 0 HA THR A 17 9.432 -12.144 -6.688 1.00 0.00 H new ATOM 0 HB THR A 17 7.641 -11.038 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.823 -11.834 -10.437 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.402 -10.182 -9.738 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.955 -10.257 -8.048 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.482 -11.496 -9.212 1.00 0.00 H new ATOM 214 N PRO A 18 7.116 -12.260 -5.652 1.00 0.00 N ATOM 215 CA PRO A 18 5.898 -12.498 -4.874 1.00 0.00 C ATOM 216 C PRO A 18 4.633 -12.197 -5.670 1.00 0.00 C ATOM 217 O PRO A 18 4.592 -11.248 -6.453 1.00 0.00 O ATOM 218 CB PRO A 18 6.033 -11.527 -3.698 1.00 0.00 C ATOM 219 CG PRO A 18 6.913 -10.437 -4.206 1.00 0.00 C ATOM 220 CD PRO A 18 7.868 -11.091 -5.166 1.00 0.00 C ATOM 0 HA PRO A 18 5.803 -13.542 -4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.061 -11.140 -3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.471 -12.017 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.328 -9.663 -4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.450 -9.955 -3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.140 -10.421 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.794 -11.386 -4.673 1.00 0.00 H new ATOM 228 N SER A 19 3.602 -13.011 -5.465 1.00 0.00 N ATOM 229 CA SER A 19 2.336 -12.834 -6.167 1.00 0.00 C ATOM 230 C SER A 19 1.302 -12.169 -5.264 1.00 0.00 C ATOM 231 O SER A 19 0.795 -11.091 -5.571 1.00 0.00 O ATOM 232 CB SER A 19 1.809 -14.183 -6.660 1.00 0.00 C ATOM 233 OG SER A 19 0.890 -14.013 -7.726 1.00 0.00 O ATOM 0 H SER A 19 3.619 -13.800 -4.818 1.00 0.00 H new ATOM 0 HA SER A 19 2.512 -12.186 -7.025 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.642 -14.804 -6.989 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.324 -14.710 -5.838 1.00 0.00 H new ATOM 0 HG SER A 19 0.569 -14.890 -8.024 1.00 0.00 H new ATOM 239 N ALA A 20 0.995 -12.821 -4.147 1.00 0.00 N ATOM 240 CA ALA A 20 0.023 -12.294 -3.197 1.00 0.00 C ATOM 241 C ALA A 20 0.529 -11.009 -2.551 1.00 0.00 C ATOM 242 O ALA A 20 -0.015 -9.925 -2.760 1.00 0.00 O ATOM 243 CB ALA A 20 -0.291 -13.334 -2.132 1.00 0.00 C ATOM 0 H ALA A 20 1.406 -13.715 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.892 -12.060 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.018 -12.927 -1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.703 -14.226 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.623 -13.595 -1.598 1.00 0.00 H new ATOM 249 N PRO A 21 1.595 -11.130 -1.746 1.00 0.00 N ATOM 250 CA PRO A 21 2.198 -9.987 -1.053 1.00 0.00 C ATOM 251 C PRO A 21 2.906 -9.035 -2.011 1.00 0.00 C ATOM 252 O PRO A 21 3.357 -9.423 -3.089 1.00 0.00 O ATOM 253 CB PRO A 21 3.206 -10.639 -0.104 1.00 0.00 C ATOM 254 CG PRO A 21 3.545 -11.940 -0.747 1.00 0.00 C ATOM 255 CD PRO A 21 2.295 -12.391 -1.452 1.00 0.00 C ATOM 0 HA PRO A 21 1.450 -9.376 -0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.092 -10.016 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.778 -10.787 0.887 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.370 -11.825 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.860 -12.672 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.525 -12.945 -2.362 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.693 -13.047 -0.823 1.00 0.00 H new ATOM 263 N PRO A 22 3.008 -7.759 -1.611 1.00 0.00 N ATOM 264 CA PRO A 22 2.474 -7.286 -0.331 1.00 0.00 C ATOM 265 C PRO A 22 0.950 -7.274 -0.307 1.00 0.00 C ATOM 266 O PRO A 22 0.311 -6.728 -1.205 1.00 0.00 O ATOM 267 CB PRO A 22 3.022 -5.860 -0.223 1.00 0.00 C ATOM 268 CG PRO A 22 3.253 -5.437 -1.633 1.00 0.00 C ATOM 269 CD PRO A 22 3.651 -6.680 -2.379 1.00 0.00 C ATOM 0 HA PRO A 22 2.766 -7.933 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.313 -5.200 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.946 -5.833 0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.352 -4.997 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.036 -4.680 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.302 -6.658 -3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.734 -6.800 -2.411 1.00 0.00 H new ATOM 277 N GLN A 23 0.374 -7.880 0.727 1.00 0.00 N ATOM 278 CA GLN A 23 -1.076 -7.938 0.867 1.00 0.00 C ATOM 279 C GLN A 23 -1.521 -7.321 2.188 1.00 0.00 C ATOM 280 O GLN A 23 -0.702 -6.817 2.957 1.00 0.00 O ATOM 281 CB GLN A 23 -1.560 -9.387 0.779 1.00 0.00 C ATOM 282 CG GLN A 23 -0.645 -10.378 1.480 1.00 0.00 C ATOM 283 CD GLN A 23 -1.128 -11.809 1.354 1.00 0.00 C ATOM 284 OE1 GLN A 23 -2.203 -12.068 0.812 1.00 0.00 O ATOM 285 NE2 GLN A 23 -0.335 -12.748 1.855 1.00 0.00 N ATOM 0 H GLN A 23 0.889 -8.337 1.479 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.517 -7.364 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.557 -9.455 1.214 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.650 -9.668 -0.270 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.358 -10.299 1.061 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.572 -10.115 2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.547 -12.488 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.608 -13.729 1.799 1.00 0.00 H new ATOM 294 N LYS A 24 -2.824 -7.363 2.446 1.00 0.00 N ATOM 295 CA LYS A 24 -3.379 -6.809 3.675 1.00 0.00 C ATOM 296 C LYS A 24 -2.830 -5.410 3.938 1.00 0.00 C ATOM 297 O LYS A 24 -2.633 -5.015 5.087 1.00 0.00 O ATOM 298 CB LYS A 24 -3.062 -7.723 4.861 1.00 0.00 C ATOM 299 CG LYS A 24 -3.422 -9.179 4.619 1.00 0.00 C ATOM 300 CD LYS A 24 -3.310 -10.000 5.892 1.00 0.00 C ATOM 301 CE LYS A 24 -1.904 -10.549 6.079 1.00 0.00 C ATOM 302 NZ LYS A 24 -1.902 -11.811 6.870 1.00 0.00 N ATOM 0 H LYS A 24 -3.516 -7.775 1.820 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.460 -6.740 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.998 -7.653 5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.600 -7.365 5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.439 -9.244 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.763 -9.596 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.578 -9.382 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.022 -10.824 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.452 -10.731 5.104 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.287 -9.804 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.192 -11.745 7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.842 -11.959 7.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.671 -12.611 6.247 1.00 0.00 H new ATOM 316 N VAL A 25 -2.586 -4.664 2.865 1.00 0.00 N ATOM 317 CA VAL A 25 -2.062 -3.308 2.980 1.00 0.00 C ATOM 318 C VAL A 25 -3.127 -2.350 3.501 1.00 0.00 C ATOM 319 O VAL A 25 -4.073 -2.012 2.790 1.00 0.00 O ATOM 320 CB VAL A 25 -1.539 -2.791 1.627 1.00 0.00 C ATOM 321 CG1 VAL A 25 -0.860 -1.441 1.796 1.00 0.00 C ATOM 322 CG2 VAL A 25 -0.588 -3.802 1.003 1.00 0.00 C ATOM 0 H VAL A 25 -2.743 -4.976 1.907 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.235 -3.348 3.689 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.387 -2.661 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.497 -1.093 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.575 -0.722 2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.021 -1.540 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.228 -3.421 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.258 -3.966 1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.112 -4.744 0.843 1.00 0.00 H new ATOM 332 N MET A 26 -2.966 -1.915 4.746 1.00 0.00 N ATOM 333 CA MET A 26 -3.914 -0.993 5.362 1.00 0.00 C ATOM 334 C MET A 26 -3.319 0.408 5.468 1.00 0.00 C ATOM 335 O MET A 26 -2.328 0.620 6.169 1.00 0.00 O ATOM 336 CB MET A 26 -4.319 -1.495 6.749 1.00 0.00 C ATOM 337 CG MET A 26 -5.166 -2.757 6.716 1.00 0.00 C ATOM 338 SD MET A 26 -5.159 -3.639 8.288 1.00 0.00 S ATOM 339 CE MET A 26 -4.944 -5.327 7.728 1.00 0.00 C ATOM 0 H MET A 26 -2.189 -2.186 5.348 1.00 0.00 H new ATOM 0 HA MET A 26 -4.800 -0.945 4.729 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.419 -1.686 7.334 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.872 -0.709 7.263 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.191 -2.495 6.455 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.797 -3.417 5.932 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.973 -6.001 8.584 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.745 -5.585 7.035 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.983 -5.423 7.223 1.00 0.00 H new ATOM 349 N CYS A 27 -3.929 1.359 4.770 1.00 0.00 N ATOM 350 CA CYS A 27 -3.458 2.740 4.786 1.00 0.00 C ATOM 351 C CYS A 27 -4.341 3.605 5.680 1.00 0.00 C ATOM 352 O CYS A 27 -5.538 3.355 5.817 1.00 0.00 O ATOM 353 CB CYS A 27 -3.435 3.309 3.367 1.00 0.00 C ATOM 354 SG CYS A 27 -2.515 2.301 2.182 1.00 0.00 S ATOM 0 H CYS A 27 -4.750 1.200 4.186 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.445 2.748 5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.461 3.419 3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.998 4.307 3.395 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.889 2.602 0.974 1.00 0.00 H new ATOM 360 N VAL A 28 -3.740 4.623 6.288 1.00 0.00 N ATOM 361 CA VAL A 28 -4.471 5.526 7.170 1.00 0.00 C ATOM 362 C VAL A 28 -3.894 6.935 7.115 1.00 0.00 C ATOM 363 O VAL A 28 -2.678 7.121 7.168 1.00 0.00 O ATOM 364 CB VAL A 28 -4.446 5.029 8.628 1.00 0.00 C ATOM 365 CG1 VAL A 28 -5.451 3.904 8.826 1.00 0.00 C ATOM 366 CG2 VAL A 28 -3.045 4.577 9.012 1.00 0.00 C ATOM 0 H VAL A 28 -2.749 4.843 6.186 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.502 5.545 6.818 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.728 5.855 9.281 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.419 3.566 9.862 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.453 4.266 8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.202 3.074 8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.045 4.229 10.045 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.732 3.765 8.356 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.353 5.413 8.911 1.00 0.00 H new ATOM 376 N SER A 29 -4.773 7.926 7.009 1.00 0.00 N ATOM 377 CA SER A 29 -4.351 9.320 6.944 1.00 0.00 C ATOM 378 C SER A 29 -3.823 9.792 8.296 1.00 0.00 C ATOM 379 O SER A 29 -4.592 10.016 9.230 1.00 0.00 O ATOM 380 CB SER A 29 -5.515 10.208 6.500 1.00 0.00 C ATOM 381 OG SER A 29 -6.603 10.110 7.402 1.00 0.00 O ATOM 0 H SER A 29 -5.783 7.789 6.966 1.00 0.00 H new ATOM 0 HA SER A 29 -3.546 9.396 6.213 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.183 11.244 6.437 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.839 9.916 5.501 1.00 0.00 H new ATOM 0 HG SER A 29 -6.270 10.157 8.323 1.00 0.00 H new ATOM 387 N MET A 30 -2.506 9.940 8.391 1.00 0.00 N ATOM 388 CA MET A 30 -1.875 10.386 9.627 1.00 0.00 C ATOM 389 C MET A 30 -2.386 11.765 10.032 1.00 0.00 C ATOM 390 O MET A 30 -2.612 12.033 11.211 1.00 0.00 O ATOM 391 CB MET A 30 -0.354 10.421 9.465 1.00 0.00 C ATOM 392 CG MET A 30 0.317 9.086 9.747 1.00 0.00 C ATOM 393 SD MET A 30 0.752 8.880 11.485 1.00 0.00 S ATOM 394 CE MET A 30 -0.642 7.921 12.071 1.00 0.00 C ATOM 0 H MET A 30 -1.855 9.758 7.627 1.00 0.00 H new ATOM 0 HA MET A 30 -2.133 9.677 10.413 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.112 10.733 8.449 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.058 11.175 10.136 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.349 8.278 9.445 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.217 9.001 9.139 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.372 7.417 12.999 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.489 8.583 12.251 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.914 7.179 11.320 1.00 0.00 H new ATOM 404 N GLY A 31 -2.567 12.638 9.044 1.00 0.00 N ATOM 405 CA GLY A 31 -3.049 13.979 9.319 1.00 0.00 C ATOM 406 C GLY A 31 -3.825 14.565 8.156 1.00 0.00 C ATOM 407 O GLY A 31 -4.899 14.074 7.807 1.00 0.00 O ATOM 0 H GLY A 31 -2.388 12.440 8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.686 13.959 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.203 14.626 9.550 1.00 0.00 H new ATOM 411 N SER A 32 -3.282 15.618 7.555 1.00 0.00 N ATOM 412 CA SER A 32 -3.934 16.275 6.428 1.00 0.00 C ATOM 413 C SER A 32 -3.082 16.163 5.167 1.00 0.00 C ATOM 414 O SER A 32 -3.601 15.968 4.067 1.00 0.00 O ATOM 415 CB SER A 32 -4.195 17.748 6.750 1.00 0.00 C ATOM 416 OG SER A 32 -4.867 17.886 7.990 1.00 0.00 O ATOM 0 H SER A 32 -2.392 16.035 7.829 1.00 0.00 H new ATOM 0 HA SER A 32 -4.886 15.775 6.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.250 18.290 6.782 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.793 18.197 5.957 1.00 0.00 H new ATOM 0 HG SER A 32 -5.021 18.836 8.175 1.00 0.00 H new ATOM 422 N THR A 33 -1.769 16.287 5.334 1.00 0.00 N ATOM 423 CA THR A 33 -0.844 16.201 4.211 1.00 0.00 C ATOM 424 C THR A 33 0.129 15.040 4.388 1.00 0.00 C ATOM 425 O THR A 33 1.167 14.980 3.728 1.00 0.00 O ATOM 426 CB THR A 33 -0.043 17.506 4.042 1.00 0.00 C ATOM 427 OG1 THR A 33 0.968 17.595 5.052 1.00 0.00 O ATOM 428 CG2 THR A 33 -0.958 18.718 4.125 1.00 0.00 C ATOM 0 H THR A 33 -1.322 16.447 6.237 1.00 0.00 H new ATOM 0 HA THR A 33 -1.446 16.034 3.318 1.00 0.00 H new ATOM 0 HB THR A 33 0.427 17.492 3.059 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.474 18.426 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.369 19.627 4.003 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.708 18.662 3.336 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.453 18.734 5.096 1.00 0.00 H new ATOM 436 N THR A 34 -0.214 14.118 5.282 1.00 0.00 N ATOM 437 CA THR A 34 0.629 12.959 5.546 1.00 0.00 C ATOM 438 C THR A 34 -0.203 11.687 5.654 1.00 0.00 C ATOM 439 O THR A 34 -1.261 11.677 6.284 1.00 0.00 O ATOM 440 CB THR A 34 1.442 13.139 6.842 1.00 0.00 C ATOM 441 OG1 THR A 34 2.314 14.268 6.721 1.00 0.00 O ATOM 442 CG2 THR A 34 2.259 11.892 7.146 1.00 0.00 C ATOM 0 H THR A 34 -1.070 14.152 5.836 1.00 0.00 H new ATOM 0 HA THR A 34 1.316 12.870 4.704 1.00 0.00 H new ATOM 0 HB THR A 34 0.744 13.306 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.826 14.376 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.825 12.043 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.591 11.040 7.267 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.948 11.699 6.324 1.00 0.00 H new ATOM 450 N VAL A 35 0.281 10.614 5.036 1.00 0.00 N ATOM 451 CA VAL A 35 -0.419 9.335 5.065 1.00 0.00 C ATOM 452 C VAL A 35 0.511 8.210 5.506 1.00 0.00 C ATOM 453 O VAL A 35 1.709 8.234 5.223 1.00 0.00 O ATOM 454 CB VAL A 35 -1.009 8.987 3.685 1.00 0.00 C ATOM 455 CG1 VAL A 35 -1.688 7.626 3.723 1.00 0.00 C ATOM 456 CG2 VAL A 35 -1.982 10.065 3.235 1.00 0.00 C ATOM 0 H VAL A 35 1.155 10.605 4.509 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.231 9.435 5.785 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.195 8.940 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.099 7.397 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.959 6.863 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.493 7.641 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.389 9.803 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.795 10.146 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.461 11.020 3.166 1.00 0.00 H new ATOM 466 N ARG A 36 -0.049 7.226 6.202 1.00 0.00 N ATOM 467 CA ARG A 36 0.730 6.091 6.684 1.00 0.00 C ATOM 468 C ARG A 36 0.183 4.780 6.127 1.00 0.00 C ATOM 469 O ARG A 36 -0.935 4.375 6.449 1.00 0.00 O ATOM 470 CB ARG A 36 0.721 6.052 8.213 1.00 0.00 C ATOM 471 CG ARG A 36 1.732 5.082 8.803 1.00 0.00 C ATOM 472 CD ARG A 36 1.520 4.897 10.297 1.00 0.00 C ATOM 473 NE ARG A 36 2.033 6.028 11.067 1.00 0.00 N ATOM 474 CZ ARG A 36 2.029 6.076 12.394 1.00 0.00 C ATOM 475 NH1 ARG A 36 1.543 5.061 13.096 1.00 0.00 N ATOM 476 NH2 ARG A 36 2.514 7.139 13.022 1.00 0.00 N ATOM 0 H ARG A 36 -1.039 7.192 6.445 1.00 0.00 H new ATOM 0 HA ARG A 36 1.756 6.213 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.924 7.052 8.595 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.277 5.777 8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.649 4.118 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.741 5.451 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.456 4.773 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.015 3.982 10.623 1.00 0.00 H new ATOM 0 HE ARG A 36 2.415 6.824 10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.171 4.241 12.617 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.541 5.100 14.115 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.890 7.921 12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.510 7.175 14.041 1.00 0.00 H new ATOM 490 N VAL A 37 0.977 4.121 5.290 1.00 0.00 N ATOM 491 CA VAL A 37 0.573 2.856 4.688 1.00 0.00 C ATOM 492 C VAL A 37 1.383 1.695 5.254 1.00 0.00 C ATOM 493 O VAL A 37 2.606 1.776 5.371 1.00 0.00 O ATOM 494 CB VAL A 37 0.737 2.884 3.157 1.00 0.00 C ATOM 495 CG1 VAL A 37 2.087 3.474 2.776 1.00 0.00 C ATOM 496 CG2 VAL A 37 0.575 1.487 2.579 1.00 0.00 C ATOM 0 H VAL A 37 1.905 4.442 5.013 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.480 2.713 4.930 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.043 3.519 2.736 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.186 3.486 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.160 4.492 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.884 2.867 3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.694 1.525 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.332 0.827 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.417 1.106 2.822 1.00 0.00 H new ATOM 506 N SER A 38 0.694 0.614 5.605 1.00 0.00 N ATOM 507 CA SER A 38 1.348 -0.564 6.162 1.00 0.00 C ATOM 508 C SER A 38 0.825 -1.838 5.506 1.00 0.00 C ATOM 509 O SER A 38 -0.345 -1.921 5.134 1.00 0.00 O ATOM 510 CB SER A 38 1.129 -0.628 7.675 1.00 0.00 C ATOM 511 OG SER A 38 -0.241 -0.820 7.983 1.00 0.00 O ATOM 0 H SER A 38 -0.318 0.530 5.513 1.00 0.00 H new ATOM 0 HA SER A 38 2.416 -0.485 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.718 -1.443 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.483 0.294 8.136 1.00 0.00 H new ATOM 0 HG SER A 38 -0.791 -0.269 7.388 1.00 0.00 H new ATOM 517 N TRP A 39 1.701 -2.827 5.368 1.00 0.00 N ATOM 518 CA TRP A 39 1.328 -4.097 4.757 1.00 0.00 C ATOM 519 C TRP A 39 1.916 -5.269 5.535 1.00 0.00 C ATOM 520 O TRP A 39 2.810 -5.091 6.363 1.00 0.00 O ATOM 521 CB TRP A 39 1.801 -4.146 3.303 1.00 0.00 C ATOM 522 CG TRP A 39 3.225 -3.713 3.127 1.00 0.00 C ATOM 523 CD1 TRP A 39 4.308 -4.519 2.924 1.00 0.00 C ATOM 524 CD2 TRP A 39 3.720 -2.369 3.140 1.00 0.00 C ATOM 525 NE1 TRP A 39 5.446 -3.758 2.810 1.00 0.00 N ATOM 526 CE2 TRP A 39 5.112 -2.436 2.938 1.00 0.00 C ATOM 527 CE3 TRP A 39 3.122 -1.116 3.301 1.00 0.00 C ATOM 528 CZ2 TRP A 39 5.913 -1.298 2.894 1.00 0.00 C ATOM 529 CZ3 TRP A 39 3.918 0.012 3.257 1.00 0.00 C ATOM 530 CH2 TRP A 39 5.302 -0.085 3.055 1.00 0.00 C ATOM 0 H TRP A 39 2.674 -2.774 5.671 1.00 0.00 H new ATOM 0 HA TRP A 39 0.241 -4.177 4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.689 -5.162 2.926 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.157 -3.508 2.697 1.00 0.00 H new ATOM 0 HD1 TRP A 39 4.275 -5.597 2.862 1.00 0.00 H new ATOM 0 HE1 TRP A 39 6.387 -4.119 2.655 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.057 -1.031 3.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 6.979 -1.371 2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.467 0.985 3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.897 0.816 3.026 1.00 0.00 H new ATOM 541 N VAL A 40 1.410 -6.468 5.264 1.00 0.00 N ATOM 542 CA VAL A 40 1.887 -7.669 5.938 1.00 0.00 C ATOM 543 C VAL A 40 3.302 -8.024 5.494 1.00 0.00 C ATOM 544 O VAL A 40 3.608 -8.086 4.303 1.00 0.00 O ATOM 545 CB VAL A 40 0.960 -8.870 5.669 1.00 0.00 C ATOM 546 CG1 VAL A 40 1.278 -9.499 4.321 1.00 0.00 C ATOM 547 CG2 VAL A 40 1.079 -9.895 6.787 1.00 0.00 C ATOM 0 H VAL A 40 0.670 -6.633 4.582 1.00 0.00 H new ATOM 0 HA VAL A 40 1.888 -7.452 7.006 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.070 -8.513 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.613 -10.345 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.137 -8.760 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.312 -9.843 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.418 -10.737 6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.108 -10.249 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.797 -9.435 7.734 1.00 0.00 H new ATOM 557 N PRO A 41 4.187 -8.264 6.472 1.00 0.00 N ATOM 558 CA PRO A 41 5.585 -8.618 6.207 1.00 0.00 C ATOM 559 C PRO A 41 5.725 -10.012 5.605 1.00 0.00 C ATOM 560 O PRO A 41 4.838 -10.857 5.722 1.00 0.00 O ATOM 561 CB PRO A 41 6.233 -8.566 7.592 1.00 0.00 C ATOM 562 CG PRO A 41 5.115 -8.816 8.544 1.00 0.00 C ATOM 563 CD PRO A 41 3.892 -8.208 7.914 1.00 0.00 C ATOM 0 HA PRO A 41 6.045 -7.947 5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.014 -9.320 7.692 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.699 -7.598 7.775 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.977 -9.884 8.713 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.320 -8.364 9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.991 -8.769 8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.733 -7.184 8.252 1.00 0.00 H new ATOM 571 N PRO A 42 6.866 -10.260 4.944 1.00 0.00 N ATOM 572 CA PRO A 42 7.149 -11.552 4.311 1.00 0.00 C ATOM 573 C PRO A 42 7.385 -12.658 5.333 1.00 0.00 C ATOM 574 O PRO A 42 8.390 -12.675 6.045 1.00 0.00 O ATOM 575 CB PRO A 42 8.426 -11.282 3.511 1.00 0.00 C ATOM 576 CG PRO A 42 9.082 -10.145 4.216 1.00 0.00 C ATOM 577 CD PRO A 42 7.967 -9.299 4.765 1.00 0.00 C ATOM 0 HA PRO A 42 6.314 -11.900 3.703 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.072 -12.160 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.198 -11.027 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.730 -10.503 5.016 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.707 -9.571 3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.247 -8.828 5.707 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.694 -8.499 4.077 1.00 0.00 H new ATOM 585 N PRO A 43 6.439 -13.606 5.410 1.00 0.00 N ATOM 586 CA PRO A 43 6.523 -14.735 6.342 1.00 0.00 C ATOM 587 C PRO A 43 7.620 -15.722 5.959 1.00 0.00 C ATOM 588 O PRO A 43 7.609 -16.283 4.863 1.00 0.00 O ATOM 589 CB PRO A 43 5.146 -15.394 6.226 1.00 0.00 C ATOM 590 CG PRO A 43 4.661 -15.019 4.868 1.00 0.00 C ATOM 591 CD PRO A 43 5.215 -13.649 4.593 1.00 0.00 C ATOM 0 HA PRO A 43 6.772 -14.412 7.353 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.214 -16.476 6.337 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.469 -15.036 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.002 -15.735 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.572 -15.014 4.830 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.433 -13.509 3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.513 -12.866 4.880 1.00 0.00 H new ATOM 599 N ALA A 44 8.566 -15.931 6.868 1.00 0.00 N ATOM 600 CA ALA A 44 9.669 -16.853 6.626 1.00 0.00 C ATOM 601 C ALA A 44 9.154 -18.248 6.286 1.00 0.00 C ATOM 602 O ALA A 44 9.630 -18.884 5.346 1.00 0.00 O ATOM 603 CB ALA A 44 10.587 -16.908 7.838 1.00 0.00 C ATOM 0 H ALA A 44 8.591 -15.474 7.780 1.00 0.00 H new ATOM 0 HA ALA A 44 10.236 -16.485 5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.406 -17.600 7.643 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.991 -15.915 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.023 -17.249 8.706 1.00 0.00 H new ATOM 609 N ASP A 45 8.179 -18.717 7.057 1.00 0.00 N ATOM 610 CA ASP A 45 7.599 -20.037 6.838 1.00 0.00 C ATOM 611 C ASP A 45 7.494 -20.343 5.347 1.00 0.00 C ATOM 612 O ASP A 45 8.109 -21.288 4.852 1.00 0.00 O ATOM 613 CB ASP A 45 6.217 -20.125 7.488 1.00 0.00 C ATOM 614 CG ASP A 45 5.578 -21.488 7.308 1.00 0.00 C ATOM 615 OD1 ASP A 45 6.211 -22.494 7.690 1.00 0.00 O ATOM 616 OD2 ASP A 45 4.446 -21.548 6.784 1.00 0.00 O ATOM 0 H ASP A 45 7.774 -18.203 7.839 1.00 0.00 H new ATOM 0 HA ASP A 45 8.255 -20.776 7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.305 -19.906 8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.567 -19.363 7.058 1.00 0.00 H new ATOM 621 N SER A 46 6.710 -19.538 4.637 1.00 0.00 N ATOM 622 CA SER A 46 6.520 -19.726 3.203 1.00 0.00 C ATOM 623 C SER A 46 6.941 -18.479 2.432 1.00 0.00 C ATOM 624 O SER A 46 6.357 -17.408 2.595 1.00 0.00 O ATOM 625 CB SER A 46 5.057 -20.058 2.900 1.00 0.00 C ATOM 626 OG SER A 46 4.194 -19.042 3.381 1.00 0.00 O ATOM 0 H SER A 46 6.196 -18.750 5.031 1.00 0.00 H new ATOM 0 HA SER A 46 7.147 -20.558 2.884 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.922 -20.175 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.794 -21.011 3.360 1.00 0.00 H new ATOM 0 HG SER A 46 4.668 -18.184 3.384 1.00 0.00 H new ATOM 632 N ARG A 47 7.959 -18.627 1.591 1.00 0.00 N ATOM 633 CA ARG A 47 8.461 -17.514 0.794 1.00 0.00 C ATOM 634 C ARG A 47 8.817 -17.972 -0.617 1.00 0.00 C ATOM 635 O ARG A 47 9.457 -19.007 -0.801 1.00 0.00 O ATOM 636 CB ARG A 47 9.686 -16.891 1.464 1.00 0.00 C ATOM 637 CG ARG A 47 9.985 -15.476 0.994 1.00 0.00 C ATOM 638 CD ARG A 47 9.178 -14.449 1.771 1.00 0.00 C ATOM 639 NE ARG A 47 7.832 -14.284 1.228 1.00 0.00 N ATOM 640 CZ ARG A 47 7.547 -13.494 0.199 1.00 0.00 C ATOM 641 NH1 ARG A 47 8.508 -12.800 -0.395 1.00 0.00 N ATOM 642 NH2 ARG A 47 6.298 -13.397 -0.238 1.00 0.00 N ATOM 0 H ARG A 47 8.453 -19.507 1.444 1.00 0.00 H new ATOM 0 HA ARG A 47 7.672 -16.765 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.534 -16.882 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.555 -17.520 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.049 -15.269 1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.759 -15.389 -0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.112 -14.755 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.697 -13.490 1.751 1.00 0.00 H new ATOM 0 HE ARG A 47 7.070 -14.804 1.663 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.469 -12.872 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.286 -12.194 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.556 -13.929 0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.080 -12.790 -1.028 1.00 0.00 H new ATOM 656 N ASN A 48 8.398 -17.194 -1.610 1.00 0.00 N ATOM 657 CA ASN A 48 8.673 -17.520 -3.005 1.00 0.00 C ATOM 658 C ASN A 48 9.998 -16.913 -3.455 1.00 0.00 C ATOM 659 O ASN A 48 10.772 -17.548 -4.170 1.00 0.00 O ATOM 660 CB ASN A 48 7.538 -17.019 -3.900 1.00 0.00 C ATOM 661 CG ASN A 48 6.913 -15.739 -3.378 1.00 0.00 C ATOM 662 OD1 ASN A 48 7.609 -14.846 -2.898 1.00 0.00 O ATOM 663 ND2 ASN A 48 5.591 -15.647 -3.471 1.00 0.00 N ATOM 0 H ASN A 48 7.867 -16.334 -1.475 1.00 0.00 H new ATOM 0 HA ASN A 48 8.744 -18.604 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.920 -16.849 -4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.771 -17.790 -3.976 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.113 -14.810 -3.137 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.054 -16.413 -3.877 1.00 0.00 H new ATOM 670 N GLY A 49 10.252 -15.679 -3.030 1.00 0.00 N ATOM 671 CA GLY A 49 11.484 -15.007 -3.399 1.00 0.00 C ATOM 672 C GLY A 49 12.130 -14.296 -2.226 1.00 0.00 C ATOM 673 O GLY A 49 11.831 -14.593 -1.069 1.00 0.00 O ATOM 0 H GLY A 49 9.627 -15.133 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.183 -15.736 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.278 -14.285 -4.189 1.00 0.00 H new ATOM 677 N VAL A 50 13.021 -13.355 -2.524 1.00 0.00 N ATOM 678 CA VAL A 50 13.712 -12.601 -1.485 1.00 0.00 C ATOM 679 C VAL A 50 13.512 -11.101 -1.671 1.00 0.00 C ATOM 680 O VAL A 50 13.970 -10.521 -2.656 1.00 0.00 O ATOM 681 CB VAL A 50 15.221 -12.910 -1.477 1.00 0.00 C ATOM 682 CG1 VAL A 50 15.848 -12.544 -2.813 1.00 0.00 C ATOM 683 CG2 VAL A 50 15.908 -12.174 -0.337 1.00 0.00 C ATOM 0 H VAL A 50 13.281 -13.097 -3.476 1.00 0.00 H new ATOM 0 HA VAL A 50 13.281 -12.907 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 50 15.355 -13.981 -1.322 1.00 0.00 H new ATOM 0 HG11 VAL A 50 16.914 -12.769 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 50 15.374 -13.120 -3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.706 -11.480 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 50 16.974 -12.403 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.767 -11.100 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.477 -12.490 0.613 1.00 0.00 H new ATOM 693 N ILE A 51 12.827 -10.478 -0.718 1.00 0.00 N ATOM 694 CA ILE A 51 12.569 -9.045 -0.776 1.00 0.00 C ATOM 695 C ILE A 51 13.831 -8.246 -0.467 1.00 0.00 C ATOM 696 O ILE A 51 14.420 -8.383 0.605 1.00 0.00 O ATOM 697 CB ILE A 51 11.460 -8.632 0.210 1.00 0.00 C ATOM 698 CG1 ILE A 51 10.369 -9.704 0.262 1.00 0.00 C ATOM 699 CG2 ILE A 51 10.871 -7.287 -0.188 1.00 0.00 C ATOM 700 CD1 ILE A 51 9.845 -10.098 -1.101 1.00 0.00 C ATOM 0 H ILE A 51 12.441 -10.943 0.103 1.00 0.00 H new ATOM 0 HA ILE A 51 12.242 -8.825 -1.792 1.00 0.00 H new ATOM 0 HB ILE A 51 11.896 -8.535 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.764 -10.589 0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.541 -9.339 0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.089 -7.009 0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.655 -6.529 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.447 -7.358 -1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.075 -10.861 -0.988 1.00 0.00 H new ATOM 0 HD12 ILE A 51 9.420 -9.224 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.662 -10.493 -1.705 1.00 0.00 H new ATOM 712 N THR A 52 14.240 -7.408 -1.415 1.00 0.00 N ATOM 713 CA THR A 52 15.432 -6.585 -1.245 1.00 0.00 C ATOM 714 C THR A 52 15.062 -5.141 -0.930 1.00 0.00 C ATOM 715 O THR A 52 15.874 -4.385 -0.396 1.00 0.00 O ATOM 716 CB THR A 52 16.318 -6.614 -2.505 1.00 0.00 C ATOM 717 OG1 THR A 52 17.658 -6.237 -2.169 1.00 0.00 O ATOM 718 CG2 THR A 52 15.774 -5.674 -3.570 1.00 0.00 C ATOM 0 H THR A 52 13.764 -7.281 -2.308 1.00 0.00 H new ATOM 0 HA THR A 52 15.990 -7.004 -0.408 1.00 0.00 H new ATOM 0 HB THR A 52 16.315 -7.629 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 52 18.216 -6.259 -2.974 1.00 0.00 H new ATOM 0 HG21 THR A 52 16.416 -5.711 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 52 14.764 -5.980 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.752 -4.656 -3.180 1.00 0.00 H new ATOM 726 N GLN A 53 13.832 -4.763 -1.262 1.00 0.00 N ATOM 727 CA GLN A 53 13.355 -3.408 -1.014 1.00 0.00 C ATOM 728 C GLN A 53 11.869 -3.286 -1.333 1.00 0.00 C ATOM 729 O GLN A 53 11.289 -4.159 -1.978 1.00 0.00 O ATOM 730 CB GLN A 53 14.153 -2.404 -1.848 1.00 0.00 C ATOM 731 CG GLN A 53 13.827 -2.452 -3.332 1.00 0.00 C ATOM 732 CD GLN A 53 14.595 -1.418 -4.132 1.00 0.00 C ATOM 733 OE1 GLN A 53 15.640 -1.715 -4.711 1.00 0.00 O ATOM 734 NE2 GLN A 53 14.080 -0.195 -4.168 1.00 0.00 N ATOM 0 H GLN A 53 13.147 -5.377 -1.704 1.00 0.00 H new ATOM 0 HA GLN A 53 13.499 -3.187 0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.960 -1.399 -1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.217 -2.596 -1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.053 -3.446 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.758 -2.292 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.211 0.007 -3.673 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.553 0.542 -4.690 1.00 0.00 H new ATOM 743 N TYR A 54 11.259 -2.198 -0.877 1.00 0.00 N ATOM 744 CA TYR A 54 9.839 -1.963 -1.112 1.00 0.00 C ATOM 745 C TYR A 54 9.613 -0.605 -1.770 1.00 0.00 C ATOM 746 O TYR A 54 10.241 0.387 -1.402 1.00 0.00 O ATOM 747 CB TYR A 54 9.063 -2.040 0.204 1.00 0.00 C ATOM 748 CG TYR A 54 8.796 -3.455 0.668 1.00 0.00 C ATOM 749 CD1 TYR A 54 7.713 -4.174 0.178 1.00 0.00 C ATOM 750 CD2 TYR A 54 9.627 -4.071 1.595 1.00 0.00 C ATOM 751 CE1 TYR A 54 7.464 -5.466 0.599 1.00 0.00 C ATOM 752 CE2 TYR A 54 9.387 -5.363 2.021 1.00 0.00 C ATOM 753 CZ TYR A 54 8.305 -6.056 1.520 1.00 0.00 C ATOM 754 OH TYR A 54 8.061 -7.343 1.943 1.00 0.00 O ATOM 0 H TYR A 54 11.725 -1.465 -0.343 1.00 0.00 H new ATOM 0 HA TYR A 54 9.475 -2.738 -1.786 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.622 -1.512 0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.112 -1.520 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 54 7.054 -3.715 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.475 -3.531 1.989 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.617 -6.011 0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.043 -5.828 2.742 1.00 0.00 H new ATOM 0 HH TYR A 54 8.856 -7.695 2.396 1.00 0.00 H new ATOM 764 N SER A 55 8.710 -0.570 -2.745 1.00 0.00 N ATOM 765 CA SER A 55 8.401 0.664 -3.457 1.00 0.00 C ATOM 766 C SER A 55 6.963 1.100 -3.192 1.00 0.00 C ATOM 767 O SER A 55 6.067 0.268 -3.046 1.00 0.00 O ATOM 768 CB SER A 55 8.621 0.479 -4.960 1.00 0.00 C ATOM 769 OG SER A 55 8.991 1.701 -5.575 1.00 0.00 O ATOM 0 H SER A 55 8.180 -1.382 -3.060 1.00 0.00 H new ATOM 0 HA SER A 55 9.071 1.442 -3.091 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.398 -0.266 -5.128 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.709 0.098 -5.420 1.00 0.00 H new ATOM 0 HG SER A 55 9.127 1.556 -6.535 1.00 0.00 H new ATOM 775 N VAL A 56 6.751 2.410 -3.129 1.00 0.00 N ATOM 776 CA VAL A 56 5.422 2.958 -2.883 1.00 0.00 C ATOM 777 C VAL A 56 5.062 4.015 -3.921 1.00 0.00 C ATOM 778 O VAL A 56 5.936 4.569 -4.586 1.00 0.00 O ATOM 779 CB VAL A 56 5.324 3.581 -1.477 1.00 0.00 C ATOM 780 CG1 VAL A 56 3.874 3.865 -1.119 1.00 0.00 C ATOM 781 CG2 VAL A 56 5.968 2.669 -0.445 1.00 0.00 C ATOM 0 H VAL A 56 7.482 3.112 -3.245 1.00 0.00 H new ATOM 0 HA VAL A 56 4.719 2.128 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 56 5.864 4.528 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.825 4.305 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.450 4.560 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.307 2.934 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.890 3.124 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.458 1.706 -0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.019 2.522 -0.695 1.00 0.00 H new ATOM 791 N ALA A 57 3.769 4.289 -4.054 1.00 0.00 N ATOM 792 CA ALA A 57 3.292 5.282 -5.009 1.00 0.00 C ATOM 793 C ALA A 57 1.977 5.901 -4.548 1.00 0.00 C ATOM 794 O ALA A 57 1.129 5.221 -3.971 1.00 0.00 O ATOM 795 CB ALA A 57 3.128 4.653 -6.385 1.00 0.00 C ATOM 0 H ALA A 57 3.032 3.837 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 57 4.035 6.077 -5.070 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.771 5.405 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.088 4.265 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.407 3.838 -6.329 1.00 0.00 H new ATOM 801 N TYR A 58 1.816 7.194 -4.806 1.00 0.00 N ATOM 802 CA TYR A 58 0.605 7.906 -4.415 1.00 0.00 C ATOM 803 C TYR A 58 0.203 8.924 -5.478 1.00 0.00 C ATOM 804 O TYR A 58 1.034 9.692 -5.961 1.00 0.00 O ATOM 805 CB TYR A 58 0.813 8.609 -3.072 1.00 0.00 C ATOM 806 CG TYR A 58 2.003 9.541 -3.055 1.00 0.00 C ATOM 807 CD1 TYR A 58 3.273 9.071 -2.743 1.00 0.00 C ATOM 808 CD2 TYR A 58 1.858 10.891 -3.350 1.00 0.00 C ATOM 809 CE1 TYR A 58 4.364 9.919 -2.725 1.00 0.00 C ATOM 810 CE2 TYR A 58 2.943 11.746 -3.336 1.00 0.00 C ATOM 811 CZ TYR A 58 4.194 11.255 -3.023 1.00 0.00 C ATOM 812 OH TYR A 58 5.277 12.104 -3.006 1.00 0.00 O ATOM 0 H TYR A 58 2.509 7.770 -5.284 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.199 7.176 -4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.085 9.175 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.940 7.857 -2.293 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.410 8.025 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.880 11.279 -3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.344 9.538 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.813 12.793 -3.569 1.00 0.00 H new ATOM 0 HH TYR A 58 5.402 12.493 -3.897 1.00 0.00 H new ATOM 822 N GLU A 59 -1.077 8.922 -5.836 1.00 0.00 N ATOM 823 CA GLU A 59 -1.589 9.845 -6.842 1.00 0.00 C ATOM 824 C GLU A 59 -2.992 10.324 -6.477 1.00 0.00 C ATOM 825 O GLU A 59 -3.863 9.524 -6.137 1.00 0.00 O ATOM 826 CB GLU A 59 -1.608 9.176 -8.218 1.00 0.00 C ATOM 827 CG GLU A 59 -1.922 10.133 -9.356 1.00 0.00 C ATOM 828 CD GLU A 59 -2.528 9.433 -10.556 1.00 0.00 C ATOM 829 OE1 GLU A 59 -3.545 8.728 -10.381 1.00 0.00 O ATOM 830 OE2 GLU A 59 -1.987 9.589 -11.671 1.00 0.00 O ATOM 0 H GLU A 59 -1.778 8.292 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.926 10.709 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.638 8.713 -8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.348 8.375 -8.213 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.611 10.900 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.008 10.642 -9.661 1.00 0.00 H new ATOM 837 N ALA A 60 -3.201 11.634 -6.551 1.00 0.00 N ATOM 838 CA ALA A 60 -4.497 12.219 -6.230 1.00 0.00 C ATOM 839 C ALA A 60 -5.576 11.720 -7.185 1.00 0.00 C ATOM 840 O ALA A 60 -5.383 11.698 -8.400 1.00 0.00 O ATOM 841 CB ALA A 60 -4.415 13.738 -6.272 1.00 0.00 C ATOM 0 H ALA A 60 -2.490 12.310 -6.830 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.769 11.908 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.390 14.162 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.679 14.083 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.117 14.059 -7.270 1.00 0.00 H new ATOM 847 N VAL A 61 -6.714 11.319 -6.627 1.00 0.00 N ATOM 848 CA VAL A 61 -7.825 10.820 -7.429 1.00 0.00 C ATOM 849 C VAL A 61 -8.713 11.962 -7.909 1.00 0.00 C ATOM 850 O VAL A 61 -9.017 12.068 -9.097 1.00 0.00 O ATOM 851 CB VAL A 61 -8.683 9.816 -6.636 1.00 0.00 C ATOM 852 CG1 VAL A 61 -9.861 9.342 -7.473 1.00 0.00 C ATOM 853 CG2 VAL A 61 -7.837 8.639 -6.176 1.00 0.00 C ATOM 0 H VAL A 61 -6.891 11.330 -5.622 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.391 10.314 -8.291 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.076 10.319 -5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.455 8.633 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.480 10.196 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.493 8.856 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.459 7.940 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.413 8.134 -7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.031 8.998 -5.536 1.00 0.00 H new ATOM 863 N ASP A 62 -9.124 12.816 -6.979 1.00 0.00 N ATOM 864 CA ASP A 62 -9.976 13.953 -7.307 1.00 0.00 C ATOM 865 C ASP A 62 -9.345 15.259 -6.835 1.00 0.00 C ATOM 866 O ASP A 62 -10.040 16.170 -6.387 1.00 0.00 O ATOM 867 CB ASP A 62 -11.358 13.782 -6.674 1.00 0.00 C ATOM 868 CG ASP A 62 -12.451 14.459 -7.478 1.00 0.00 C ATOM 869 OD1 ASP A 62 -12.651 15.679 -7.299 1.00 0.00 O ATOM 870 OD2 ASP A 62 -13.105 13.768 -8.286 1.00 0.00 O ATOM 0 H ASP A 62 -8.881 12.743 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.084 13.993 -8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.583 12.720 -6.582 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.346 14.193 -5.665 1.00 0.00 H new ATOM 875 N GLY A 63 -8.022 15.343 -6.938 1.00 0.00 N ATOM 876 CA GLY A 63 -7.319 16.541 -6.517 1.00 0.00 C ATOM 877 C GLY A 63 -7.093 17.512 -7.659 1.00 0.00 C ATOM 878 O GLY A 63 -7.784 17.456 -8.675 1.00 0.00 O ATOM 0 H GLY A 63 -7.424 14.603 -7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.889 17.036 -5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.358 16.262 -6.086 1.00 0.00 H new ATOM 882 N GLU A 64 -6.124 18.406 -7.490 1.00 0.00 N ATOM 883 CA GLU A 64 -5.811 19.395 -8.515 1.00 0.00 C ATOM 884 C GLU A 64 -4.884 18.806 -9.575 1.00 0.00 C ATOM 885 O GLU A 64 -5.114 18.968 -10.774 1.00 0.00 O ATOM 886 CB GLU A 64 -5.163 20.629 -7.884 1.00 0.00 C ATOM 887 CG GLU A 64 -6.133 21.486 -7.088 1.00 0.00 C ATOM 888 CD GLU A 64 -5.729 22.947 -7.056 1.00 0.00 C ATOM 889 OE1 GLU A 64 -4.604 23.241 -6.600 1.00 0.00 O ATOM 890 OE2 GLU A 64 -6.537 23.797 -7.486 1.00 0.00 O ATOM 0 H GLU A 64 -5.543 18.466 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.744 19.689 -8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.353 20.309 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.716 21.237 -8.671 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.130 21.398 -7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.194 21.107 -6.068 1.00 0.00 H new ATOM 897 N ASP A 65 -3.837 18.124 -9.124 1.00 0.00 N ATOM 898 CA ASP A 65 -2.876 17.511 -10.032 1.00 0.00 C ATOM 899 C ASP A 65 -2.952 15.989 -9.958 1.00 0.00 C ATOM 900 O ASP A 65 -2.881 15.406 -8.876 1.00 0.00 O ATOM 901 CB ASP A 65 -1.458 17.980 -9.701 1.00 0.00 C ATOM 902 CG ASP A 65 -0.474 17.682 -10.815 1.00 0.00 C ATOM 903 OD1 ASP A 65 -0.016 16.524 -10.908 1.00 0.00 O ATOM 904 OD2 ASP A 65 -0.162 18.607 -11.594 1.00 0.00 O ATOM 0 H ASP A 65 -3.633 17.982 -8.135 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.125 17.820 -11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.469 19.053 -9.508 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.123 17.494 -8.785 1.00 0.00 H new ATOM 909 N ARG A 66 -3.099 15.352 -11.115 1.00 0.00 N ATOM 910 CA ARG A 66 -3.187 13.898 -11.180 1.00 0.00 C ATOM 911 C ARG A 66 -1.801 13.274 -11.314 1.00 0.00 C ATOM 912 O ARG A 66 -1.658 12.151 -11.795 1.00 0.00 O ATOM 913 CB ARG A 66 -4.065 13.472 -12.358 1.00 0.00 C ATOM 914 CG ARG A 66 -5.545 13.394 -12.018 1.00 0.00 C ATOM 915 CD ARG A 66 -6.155 14.779 -11.867 1.00 0.00 C ATOM 916 NE ARG A 66 -7.578 14.788 -12.194 1.00 0.00 N ATOM 917 CZ ARG A 66 -8.051 14.618 -13.424 1.00 0.00 C ATOM 918 NH1 ARG A 66 -7.218 14.425 -14.437 1.00 0.00 N ATOM 919 NH2 ARG A 66 -9.360 14.639 -13.642 1.00 0.00 N ATOM 0 H ARG A 66 -3.160 15.819 -12.020 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.637 13.545 -10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.926 14.177 -13.178 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.731 12.498 -12.715 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.071 12.847 -12.800 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.678 12.834 -11.093 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.016 15.127 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.629 15.479 -12.516 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.246 14.933 -11.437 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.211 14.407 -14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.584 14.295 -15.380 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.004 14.786 -12.865 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.722 14.508 -14.587 1.00 0.00 H new ATOM 933 N GLY A 67 -0.782 14.012 -10.884 1.00 0.00 N ATOM 934 CA GLY A 67 0.580 13.516 -10.965 1.00 0.00 C ATOM 935 C GLY A 67 0.871 12.450 -9.927 1.00 0.00 C ATOM 936 O GLY A 67 0.791 12.706 -8.726 1.00 0.00 O ATOM 0 H GLY A 67 -0.875 14.944 -10.481 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.756 13.108 -11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.274 14.346 -10.834 1.00 0.00 H new ATOM 940 N ARG A 68 1.207 11.251 -10.391 1.00 0.00 N ATOM 941 CA ARG A 68 1.507 10.142 -9.494 1.00 0.00 C ATOM 942 C ARG A 68 2.958 10.200 -9.024 1.00 0.00 C ATOM 943 O ARG A 68 3.867 10.461 -9.813 1.00 0.00 O ATOM 944 CB ARG A 68 1.239 8.807 -10.191 1.00 0.00 C ATOM 945 CG ARG A 68 1.732 7.601 -9.409 1.00 0.00 C ATOM 946 CD ARG A 68 2.144 6.466 -10.334 1.00 0.00 C ATOM 947 NE ARG A 68 3.509 6.630 -10.827 1.00 0.00 N ATOM 948 CZ ARG A 68 3.961 6.062 -11.940 1.00 0.00 C ATOM 949 NH1 ARG A 68 3.161 5.297 -12.670 1.00 0.00 N ATOM 950 NH2 ARG A 68 5.216 6.258 -12.323 1.00 0.00 N ATOM 0 H ARG A 68 1.278 11.023 -11.383 1.00 0.00 H new ATOM 0 HA ARG A 68 0.857 10.226 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.167 8.705 -10.362 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.719 8.815 -11.170 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.579 7.891 -8.788 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.946 7.256 -8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.062 5.518 -9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.457 6.419 -11.179 1.00 0.00 H new ATOM 0 HE ARG A 68 4.150 7.212 -10.288 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.196 5.143 -12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.511 4.862 -13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.834 6.845 -11.763 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.563 5.822 -13.177 1.00 0.00 H new ATOM 964 N HIS A 69 3.168 9.955 -7.735 1.00 0.00 N ATOM 965 CA HIS A 69 4.508 9.980 -7.160 1.00 0.00 C ATOM 966 C HIS A 69 4.941 8.581 -6.731 1.00 0.00 C ATOM 967 O HIS A 69 4.110 7.690 -6.554 1.00 0.00 O ATOM 968 CB HIS A 69 4.555 10.931 -5.963 1.00 0.00 C ATOM 969 CG HIS A 69 4.611 12.377 -6.349 1.00 0.00 C ATOM 970 ND1 HIS A 69 5.635 13.218 -5.970 1.00 0.00 N ATOM 971 CD2 HIS A 69 3.761 13.129 -7.087 1.00 0.00 C ATOM 972 CE1 HIS A 69 5.412 14.426 -6.456 1.00 0.00 C ATOM 973 NE2 HIS A 69 4.282 14.399 -7.138 1.00 0.00 N ATOM 0 H HIS A 69 2.427 9.737 -7.069 1.00 0.00 H new ATOM 0 HA HIS A 69 5.198 10.336 -7.925 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.676 10.763 -5.341 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.427 10.692 -5.354 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.845 12.793 -7.549 1.00 0.00 H new ATOM 0 HE1 HIS A 69 6.046 15.289 -6.319 1.00 0.00 H new ATOM 0 HE2 HIS A 69 3.864 15.192 -7.624 1.00 0.00 H new ATOM 982 N VAL A 70 6.247 8.396 -6.565 1.00 0.00 N ATOM 983 CA VAL A 70 6.790 7.106 -6.156 1.00 0.00 C ATOM 984 C VAL A 70 7.907 7.279 -5.134 1.00 0.00 C ATOM 985 O VAL A 70 8.727 8.191 -5.243 1.00 0.00 O ATOM 986 CB VAL A 70 7.331 6.317 -7.364 1.00 0.00 C ATOM 987 CG1 VAL A 70 7.753 4.918 -6.942 1.00 0.00 C ATOM 988 CG2 VAL A 70 6.290 6.257 -8.471 1.00 0.00 C ATOM 0 H VAL A 70 6.948 9.123 -6.707 1.00 0.00 H new ATOM 0 HA VAL A 70 5.971 6.547 -5.703 1.00 0.00 H new ATOM 0 HB VAL A 70 8.209 6.835 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.132 4.376 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.535 4.986 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.895 4.388 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.689 5.696 -9.316 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.392 5.763 -8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.041 7.269 -8.792 1.00 0.00 H new ATOM 998 N VAL A 71 7.934 6.397 -4.140 1.00 0.00 N ATOM 999 CA VAL A 71 8.953 6.451 -3.098 1.00 0.00 C ATOM 1000 C VAL A 71 10.090 5.479 -3.389 1.00 0.00 C ATOM 1001 O VAL A 71 9.858 4.304 -3.676 1.00 0.00 O ATOM 1002 CB VAL A 71 8.357 6.128 -1.714 1.00 0.00 C ATOM 1003 CG1 VAL A 71 9.439 6.168 -0.645 1.00 0.00 C ATOM 1004 CG2 VAL A 71 7.231 7.094 -1.381 1.00 0.00 C ATOM 0 H VAL A 71 7.262 5.637 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 71 9.343 7.469 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 71 7.944 5.120 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.000 5.938 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.209 5.433 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.884 7.162 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.822 6.851 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.617 8.113 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.446 7.011 -2.133 1.00 0.00 H new ATOM 1014 N ASP A 72 11.320 5.975 -3.314 1.00 0.00 N ATOM 1015 CA ASP A 72 12.494 5.150 -3.568 1.00 0.00 C ATOM 1016 C ASP A 72 13.445 5.175 -2.375 1.00 0.00 C ATOM 1017 O ASP A 72 13.513 6.162 -1.644 1.00 0.00 O ATOM 1018 CB ASP A 72 13.220 5.631 -4.825 1.00 0.00 C ATOM 1019 CG ASP A 72 13.608 7.095 -4.745 1.00 0.00 C ATOM 1020 OD1 ASP A 72 14.450 7.439 -3.890 1.00 0.00 O ATOM 1021 OD2 ASP A 72 13.067 7.896 -5.536 1.00 0.00 O ATOM 0 H ASP A 72 11.530 6.945 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 72 12.160 4.124 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.116 5.029 -4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.580 5.475 -5.693 1.00 0.00 H new ATOM 1026 N GLY A 73 14.178 4.082 -2.185 1.00 0.00 N ATOM 1027 CA GLY A 73 15.114 4.000 -1.079 1.00 0.00 C ATOM 1028 C GLY A 73 14.440 3.618 0.224 1.00 0.00 C ATOM 1029 O GLY A 73 14.587 4.309 1.232 1.00 0.00 O ATOM 0 H GLY A 73 14.140 3.252 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.886 3.267 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.614 4.961 -0.958 1.00 0.00 H new ATOM 1033 N ILE A 74 13.698 2.516 0.203 1.00 0.00 N ATOM 1034 CA ILE A 74 12.998 2.044 1.392 1.00 0.00 C ATOM 1035 C ILE A 74 13.615 0.751 1.916 1.00 0.00 C ATOM 1036 O ILE A 74 13.789 -0.212 1.170 1.00 0.00 O ATOM 1037 CB ILE A 74 11.503 1.809 1.109 1.00 0.00 C ATOM 1038 CG1 ILE A 74 10.835 3.111 0.661 1.00 0.00 C ATOM 1039 CG2 ILE A 74 10.812 1.250 2.344 1.00 0.00 C ATOM 1040 CD1 ILE A 74 9.349 2.974 0.416 1.00 0.00 C ATOM 0 H ILE A 74 13.566 1.933 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 74 13.098 2.823 2.147 1.00 0.00 H new ATOM 0 HB ILE A 74 11.411 1.080 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 74 11.001 3.875 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 74 11.315 3.460 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 74 9.756 1.089 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.274 0.303 2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 74 10.911 1.957 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.942 3.935 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.176 2.233 -0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 74 8.857 2.655 1.335 1.00 0.00 H new ATOM 1052 N SER A 75 13.941 0.738 3.204 1.00 0.00 N ATOM 1053 CA SER A 75 14.540 -0.436 3.828 1.00 0.00 C ATOM 1054 C SER A 75 13.573 -1.617 3.805 1.00 0.00 C ATOM 1055 O SER A 75 12.414 -1.492 4.202 1.00 0.00 O ATOM 1056 CB SER A 75 14.945 -0.123 5.270 1.00 0.00 C ATOM 1057 OG SER A 75 16.268 0.381 5.330 1.00 0.00 O ATOM 0 H SER A 75 13.801 1.526 3.836 1.00 0.00 H new ATOM 0 HA SER A 75 15.429 -0.705 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.255 0.606 5.695 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.868 -1.025 5.877 1.00 0.00 H new ATOM 0 HG SER A 75 16.502 0.575 6.262 1.00 0.00 H new ATOM 1063 N ARG A 76 14.059 -2.762 3.337 1.00 0.00 N ATOM 1064 CA ARG A 76 13.239 -3.965 3.261 1.00 0.00 C ATOM 1065 C ARG A 76 12.704 -4.347 4.638 1.00 0.00 C ATOM 1066 O ARG A 76 11.814 -5.189 4.756 1.00 0.00 O ATOM 1067 CB ARG A 76 14.049 -5.124 2.677 1.00 0.00 C ATOM 1068 CG ARG A 76 15.192 -5.578 3.570 1.00 0.00 C ATOM 1069 CD ARG A 76 16.230 -6.368 2.787 1.00 0.00 C ATOM 1070 NE ARG A 76 17.012 -7.249 3.650 1.00 0.00 N ATOM 1071 CZ ARG A 76 17.955 -8.069 3.202 1.00 0.00 C ATOM 1072 NH1 ARG A 76 18.232 -8.120 1.906 1.00 0.00 N ATOM 1073 NH2 ARG A 76 18.624 -8.840 4.049 1.00 0.00 N ATOM 0 H ARG A 76 15.016 -2.882 3.005 1.00 0.00 H new ATOM 0 HA ARG A 76 12.392 -3.756 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.383 -5.968 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.452 -4.824 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.664 -4.709 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.800 -6.193 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.732 -6.961 2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.898 -5.678 2.272 1.00 0.00 H new ATOM 0 HE ARG A 76 16.823 -7.233 4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 76 17.720 -7.528 1.251 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.957 -8.751 1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 76 18.414 -8.804 5.047 1.00 0.00 H new ATOM 0 HH22 ARG A 76 19.348 -9.469 3.703 1.00 0.00 H new ATOM 1087 N GLU A 77 13.253 -3.722 5.675 1.00 0.00 N ATOM 1088 CA GLU A 77 12.831 -3.999 7.043 1.00 0.00 C ATOM 1089 C GLU A 77 11.704 -3.061 7.465 1.00 0.00 C ATOM 1090 O GLU A 77 11.371 -2.964 8.646 1.00 0.00 O ATOM 1091 CB GLU A 77 14.014 -3.856 8.003 1.00 0.00 C ATOM 1092 CG GLU A 77 14.918 -5.077 8.041 1.00 0.00 C ATOM 1093 CD GLU A 77 15.608 -5.250 9.380 1.00 0.00 C ATOM 1094 OE1 GLU A 77 16.709 -4.685 9.557 1.00 0.00 O ATOM 1095 OE2 GLU A 77 15.049 -5.949 10.251 1.00 0.00 O ATOM 0 H GLU A 77 13.990 -3.021 5.594 1.00 0.00 H new ATOM 0 HA GLU A 77 12.461 -5.024 7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.604 -2.987 7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.635 -3.663 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.329 -5.968 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.670 -4.992 7.257 1.00 0.00 H new ATOM 1102 N HIS A 78 11.119 -2.372 6.489 1.00 0.00 N ATOM 1103 CA HIS A 78 10.028 -1.442 6.759 1.00 0.00 C ATOM 1104 C HIS A 78 8.797 -1.794 5.929 1.00 0.00 C ATOM 1105 O HIS A 78 8.717 -1.464 4.746 1.00 0.00 O ATOM 1106 CB HIS A 78 10.466 -0.009 6.458 1.00 0.00 C ATOM 1107 CG HIS A 78 11.080 0.689 7.633 1.00 0.00 C ATOM 1108 ND1 HIS A 78 10.334 1.264 8.640 1.00 0.00 N ATOM 1109 CD2 HIS A 78 12.376 0.901 7.959 1.00 0.00 C ATOM 1110 CE1 HIS A 78 11.145 1.801 9.534 1.00 0.00 C ATOM 1111 NE2 HIS A 78 12.390 1.594 9.145 1.00 0.00 N ATOM 0 H HIS A 78 11.382 -2.440 5.506 1.00 0.00 H new ATOM 0 HA HIS A 78 9.768 -1.521 7.815 1.00 0.00 H new ATOM 0 HB2 HIS A 78 11.184 -0.022 5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.602 0.562 6.117 1.00 0.00 H new ATOM 0 HD2 HIS A 78 13.239 0.584 7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.841 2.321 10.431 1.00 0.00 H new ATOM 0 HE2 HIS A 78 13.226 1.899 9.644 1.00 0.00 H new ATOM 1120 N SER A 79 7.839 -2.468 6.558 1.00 0.00 N ATOM 1121 CA SER A 79 6.613 -2.869 5.877 1.00 0.00 C ATOM 1122 C SER A 79 5.588 -1.739 5.892 1.00 0.00 C ATOM 1123 O SER A 79 4.402 -1.958 5.648 1.00 0.00 O ATOM 1124 CB SER A 79 6.023 -4.117 6.538 1.00 0.00 C ATOM 1125 OG SER A 79 5.905 -3.944 7.939 1.00 0.00 O ATOM 0 H SER A 79 7.888 -2.748 7.538 1.00 0.00 H new ATOM 0 HA SER A 79 6.860 -3.097 4.840 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.043 -4.330 6.111 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.657 -4.978 6.327 1.00 0.00 H new ATOM 0 HG SER A 79 5.524 -4.754 8.338 1.00 0.00 H new ATOM 1131 N SER A 80 6.056 -0.529 6.181 1.00 0.00 N ATOM 1132 CA SER A 80 5.181 0.637 6.232 1.00 0.00 C ATOM 1133 C SER A 80 5.931 1.898 5.813 1.00 0.00 C ATOM 1134 O SER A 80 7.161 1.930 5.814 1.00 0.00 O ATOM 1135 CB SER A 80 4.611 0.812 7.641 1.00 0.00 C ATOM 1136 OG SER A 80 5.648 0.881 8.605 1.00 0.00 O ATOM 0 H SER A 80 7.036 -0.330 6.383 1.00 0.00 H new ATOM 0 HA SER A 80 4.360 0.475 5.534 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.010 1.720 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.948 -0.021 7.875 1.00 0.00 H new ATOM 0 HG SER A 80 5.258 0.995 9.497 1.00 0.00 H new ATOM 1142 N TRP A 81 5.180 2.934 5.457 1.00 0.00 N ATOM 1143 CA TRP A 81 5.773 4.198 5.037 1.00 0.00 C ATOM 1144 C TRP A 81 4.846 5.367 5.354 1.00 0.00 C ATOM 1145 O TRP A 81 3.624 5.217 5.360 1.00 0.00 O ATOM 1146 CB TRP A 81 6.081 4.167 3.539 1.00 0.00 C ATOM 1147 CG TRP A 81 6.963 5.294 3.090 1.00 0.00 C ATOM 1148 CD1 TRP A 81 6.572 6.436 2.453 1.00 0.00 C ATOM 1149 CD2 TRP A 81 8.383 5.383 3.244 1.00 0.00 C ATOM 1150 NE1 TRP A 81 7.664 7.231 2.201 1.00 0.00 N ATOM 1151 CE2 TRP A 81 8.787 6.608 2.677 1.00 0.00 C ATOM 1152 CE3 TRP A 81 9.353 4.549 3.806 1.00 0.00 C ATOM 1153 CZ2 TRP A 81 10.118 7.015 2.657 1.00 0.00 C ATOM 1154 CZ3 TRP A 81 10.674 4.955 3.785 1.00 0.00 C ATOM 1155 CH2 TRP A 81 11.047 6.179 3.215 1.00 0.00 C ATOM 0 H TRP A 81 4.160 2.924 5.451 1.00 0.00 H new ATOM 0 HA TRP A 81 6.702 4.336 5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 81 6.561 3.220 3.294 1.00 0.00 H new ATOM 0 HB3 TRP A 81 5.145 4.204 2.982 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.554 6.679 2.186 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.642 8.138 1.735 1.00 0.00 H new ATOM 0 HE3 TRP A 81 9.075 3.604 4.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 10.408 7.958 2.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 11.432 4.317 4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 81 12.087 6.469 3.216 1.00 0.00 H new ATOM 1166 N ASP A 82 5.434 6.529 5.616 1.00 0.00 N ATOM 1167 CA ASP A 82 4.659 7.723 5.932 1.00 0.00 C ATOM 1168 C ASP A 82 4.833 8.785 4.851 1.00 0.00 C ATOM 1169 O ASP A 82 5.824 9.516 4.837 1.00 0.00 O ATOM 1170 CB ASP A 82 5.082 8.286 7.290 1.00 0.00 C ATOM 1171 CG ASP A 82 5.410 7.196 8.292 1.00 0.00 C ATOM 1172 OD1 ASP A 82 6.425 6.495 8.096 1.00 0.00 O ATOM 1173 OD2 ASP A 82 4.652 7.045 9.273 1.00 0.00 O ATOM 0 H ASP A 82 6.444 6.669 5.616 1.00 0.00 H new ATOM 0 HA ASP A 82 3.606 7.443 5.975 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.953 8.928 7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.282 8.911 7.686 1.00 0.00 H new ATOM 1178 N LEU A 83 3.863 8.865 3.946 1.00 0.00 N ATOM 1179 CA LEU A 83 3.908 9.837 2.860 1.00 0.00 C ATOM 1180 C LEU A 83 3.708 11.254 3.388 1.00 0.00 C ATOM 1181 O LEU A 83 2.991 11.467 4.366 1.00 0.00 O ATOM 1182 CB LEU A 83 2.838 9.514 1.815 1.00 0.00 C ATOM 1183 CG LEU A 83 2.830 8.080 1.284 1.00 0.00 C ATOM 1184 CD1 LEU A 83 1.551 7.806 0.508 1.00 0.00 C ATOM 1185 CD2 LEU A 83 4.050 7.829 0.409 1.00 0.00 C ATOM 0 H LEU A 83 3.036 8.268 3.943 1.00 0.00 H new ATOM 0 HA LEU A 83 4.892 9.778 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.860 9.725 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.966 10.192 0.971 1.00 0.00 H new ATOM 0 HG LEU A 83 2.869 7.398 2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.563 6.781 0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.691 7.945 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.481 8.495 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.028 6.804 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.041 8.519 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.956 7.984 0.995 1.00 0.00 H new ATOM 1197 N VAL A 84 4.344 12.220 2.733 1.00 0.00 N ATOM 1198 CA VAL A 84 4.234 13.617 3.135 1.00 0.00 C ATOM 1199 C VAL A 84 4.157 14.534 1.919 1.00 0.00 C ATOM 1200 O VAL A 84 4.870 14.338 0.935 1.00 0.00 O ATOM 1201 CB VAL A 84 5.425 14.045 4.012 1.00 0.00 C ATOM 1202 CG1 VAL A 84 5.331 13.406 5.390 1.00 0.00 C ATOM 1203 CG2 VAL A 84 6.740 13.684 3.338 1.00 0.00 C ATOM 0 H VAL A 84 4.941 12.061 1.921 1.00 0.00 H new ATOM 0 HA VAL A 84 3.315 13.708 3.714 1.00 0.00 H new ATOM 0 HB VAL A 84 5.391 15.127 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.181 13.720 5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.406 13.719 5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.339 12.321 5.289 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.571 13.994 3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.785 12.606 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.808 14.193 2.377 1.00 0.00 H new ATOM 1213 N GLY A 85 3.287 15.536 1.994 1.00 0.00 N ATOM 1214 CA GLY A 85 3.133 16.469 0.893 1.00 0.00 C ATOM 1215 C GLY A 85 1.936 16.145 0.021 1.00 0.00 C ATOM 1216 O GLY A 85 2.080 15.903 -1.178 1.00 0.00 O ATOM 0 H GLY A 85 2.686 15.719 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.027 17.479 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.036 16.459 0.283 1.00 0.00 H new ATOM 1220 N LEU A 86 0.752 16.138 0.624 1.00 0.00 N ATOM 1221 CA LEU A 86 -0.475 15.839 -0.106 1.00 0.00 C ATOM 1222 C LEU A 86 -1.536 16.904 0.154 1.00 0.00 C ATOM 1223 O LEU A 86 -1.406 17.711 1.074 1.00 0.00 O ATOM 1224 CB LEU A 86 -1.009 14.463 0.297 1.00 0.00 C ATOM 1225 CG LEU A 86 0.029 13.344 0.398 1.00 0.00 C ATOM 1226 CD1 LEU A 86 -0.576 12.114 1.056 1.00 0.00 C ATOM 1227 CD2 LEU A 86 0.578 13.000 -0.979 1.00 0.00 C ATOM 0 H LEU A 86 0.616 16.336 1.615 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.243 15.835 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.508 14.557 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.768 14.164 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 86 0.854 13.694 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.177 11.328 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.919 12.369 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.419 11.762 0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.315 12.202 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.237 12.670 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.049 13.882 -1.413 1.00 0.00 H new ATOM 1239 N GLU A 87 -2.585 16.898 -0.662 1.00 0.00 N ATOM 1240 CA GLU A 87 -3.669 17.864 -0.519 1.00 0.00 C ATOM 1241 C GLU A 87 -4.512 17.556 0.716 1.00 0.00 C ATOM 1242 O GLU A 87 -4.613 16.405 1.142 1.00 0.00 O ATOM 1243 CB GLU A 87 -4.553 17.860 -1.767 1.00 0.00 C ATOM 1244 CG GLU A 87 -5.205 19.203 -2.055 1.00 0.00 C ATOM 1245 CD GLU A 87 -4.296 20.139 -2.828 1.00 0.00 C ATOM 1246 OE1 GLU A 87 -3.137 20.327 -2.402 1.00 0.00 O ATOM 1247 OE2 GLU A 87 -4.744 20.683 -3.859 1.00 0.00 O ATOM 0 H GLU A 87 -2.708 16.236 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.227 18.853 -0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.952 17.566 -2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.331 17.106 -1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.122 19.043 -2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.490 19.674 -1.114 1.00 0.00 H new ATOM 1254 N LYS A 88 -5.115 18.593 1.286 1.00 0.00 N ATOM 1255 CA LYS A 88 -5.951 18.436 2.471 1.00 0.00 C ATOM 1256 C LYS A 88 -7.386 18.094 2.083 1.00 0.00 C ATOM 1257 O LYS A 88 -7.945 18.682 1.157 1.00 0.00 O ATOM 1258 CB LYS A 88 -5.929 19.716 3.309 1.00 0.00 C ATOM 1259 CG LYS A 88 -4.531 20.260 3.552 1.00 0.00 C ATOM 1260 CD LYS A 88 -4.553 21.757 3.812 1.00 0.00 C ATOM 1261 CE LYS A 88 -3.204 22.394 3.517 1.00 0.00 C ATOM 1262 NZ LYS A 88 -3.118 23.783 4.046 1.00 0.00 N ATOM 0 H LYS A 88 -5.041 19.552 0.947 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.548 17.614 3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -6.525 20.479 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.406 19.520 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.083 19.748 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.902 20.049 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.320 22.223 3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.825 21.943 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.412 21.788 3.958 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.035 22.405 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.183 24.182 3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.857 24.368 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.253 23.771 5.077 1.00 0.00 H new ATOM 1276 N TRP A 89 -7.976 17.144 2.798 1.00 0.00 N ATOM 1277 CA TRP A 89 -9.347 16.725 2.529 1.00 0.00 C ATOM 1278 C TRP A 89 -9.487 16.203 1.104 1.00 0.00 C ATOM 1279 O TRP A 89 -10.426 16.559 0.390 1.00 0.00 O ATOM 1280 CB TRP A 89 -10.312 17.891 2.756 1.00 0.00 C ATOM 1281 CG TRP A 89 -11.653 17.461 3.269 1.00 0.00 C ATOM 1282 CD1 TRP A 89 -11.908 16.445 4.145 1.00 0.00 C ATOM 1283 CD2 TRP A 89 -12.922 18.034 2.935 1.00 0.00 C ATOM 1284 NE1 TRP A 89 -13.259 16.352 4.376 1.00 0.00 N ATOM 1285 CE2 TRP A 89 -13.903 17.316 3.646 1.00 0.00 C ATOM 1286 CE3 TRP A 89 -13.324 19.085 2.107 1.00 0.00 C ATOM 1287 CZ2 TRP A 89 -15.259 17.616 3.551 1.00 0.00 C ATOM 1288 CZ3 TRP A 89 -14.671 19.382 2.013 1.00 0.00 C ATOM 1289 CH2 TRP A 89 -15.625 18.650 2.733 1.00 0.00 C ATOM 0 H TRP A 89 -7.527 16.649 3.569 1.00 0.00 H new ATOM 0 HA TRP A 89 -9.596 15.917 3.217 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -9.867 18.589 3.465 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -10.446 18.431 1.818 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -11.158 15.808 4.591 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -13.710 15.675 4.991 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -12.595 19.655 1.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -15.996 17.052 4.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -14.993 20.191 1.374 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -16.670 18.907 2.640 1.00 0.00 H new ATOM 1300 N THR A 90 -8.548 15.357 0.693 1.00 0.00 N ATOM 1301 CA THR A 90 -8.567 14.787 -0.649 1.00 0.00 C ATOM 1302 C THR A 90 -8.154 13.320 -0.628 1.00 0.00 C ATOM 1303 O THR A 90 -7.223 12.938 0.080 1.00 0.00 O ATOM 1304 CB THR A 90 -7.634 15.558 -1.600 1.00 0.00 C ATOM 1305 OG1 THR A 90 -8.244 16.794 -1.990 1.00 0.00 O ATOM 1306 CG2 THR A 90 -7.317 14.731 -2.837 1.00 0.00 C ATOM 0 H THR A 90 -7.765 15.051 1.270 1.00 0.00 H new ATOM 0 HA THR A 90 -9.591 14.868 -1.013 1.00 0.00 H new ATOM 0 HB THR A 90 -6.703 15.763 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.054 16.942 -1.458 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.656 15.297 -3.494 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.826 13.805 -2.539 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.241 14.498 -3.366 1.00 0.00 H new ATOM 1314 N GLU A 91 -8.851 12.502 -1.410 1.00 0.00 N ATOM 1315 CA GLU A 91 -8.555 11.076 -1.481 1.00 0.00 C ATOM 1316 C GLU A 91 -7.297 10.822 -2.307 1.00 0.00 C ATOM 1317 O GLU A 91 -7.013 11.543 -3.263 1.00 0.00 O ATOM 1318 CB GLU A 91 -9.737 10.316 -2.085 1.00 0.00 C ATOM 1319 CG GLU A 91 -9.431 8.860 -2.396 1.00 0.00 C ATOM 1320 CD GLU A 91 -10.562 8.171 -3.134 1.00 0.00 C ATOM 1321 OE1 GLU A 91 -11.532 7.747 -2.472 1.00 0.00 O ATOM 1322 OE2 GLU A 91 -10.476 8.055 -4.375 1.00 0.00 O ATOM 0 H GLU A 91 -9.625 12.802 -2.003 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.382 10.716 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.579 10.362 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.050 10.816 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.523 8.804 -2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.232 8.328 -1.466 1.00 0.00 H new ATOM 1329 N TYR A 92 -6.548 9.792 -1.930 1.00 0.00 N ATOM 1330 CA TYR A 92 -5.319 9.443 -2.633 1.00 0.00 C ATOM 1331 C TYR A 92 -5.144 7.930 -2.708 1.00 0.00 C ATOM 1332 O TYR A 92 -5.192 7.237 -1.692 1.00 0.00 O ATOM 1333 CB TYR A 92 -4.112 10.073 -1.936 1.00 0.00 C ATOM 1334 CG TYR A 92 -3.893 11.525 -2.298 1.00 0.00 C ATOM 1335 CD1 TYR A 92 -4.546 12.539 -1.607 1.00 0.00 C ATOM 1336 CD2 TYR A 92 -3.035 11.883 -3.330 1.00 0.00 C ATOM 1337 CE1 TYR A 92 -4.350 13.867 -1.934 1.00 0.00 C ATOM 1338 CE2 TYR A 92 -2.832 13.208 -3.663 1.00 0.00 C ATOM 1339 CZ TYR A 92 -3.492 14.196 -2.962 1.00 0.00 C ATOM 1340 OH TYR A 92 -3.293 15.518 -3.291 1.00 0.00 O ATOM 0 H TYR A 92 -6.770 9.184 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.389 9.833 -3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.243 9.992 -0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -3.218 9.505 -2.192 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.218 12.284 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.518 11.112 -3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.866 14.643 -1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.160 13.469 -4.468 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.659 15.578 -4.036 1.00 0.00 H new ATOM 1350 N ARG A 93 -4.941 7.423 -3.920 1.00 0.00 N ATOM 1351 CA ARG A 93 -4.760 5.992 -4.130 1.00 0.00 C ATOM 1352 C ARG A 93 -3.289 5.605 -4.000 1.00 0.00 C ATOM 1353 O ARG A 93 -2.471 5.938 -4.857 1.00 0.00 O ATOM 1354 CB ARG A 93 -5.285 5.586 -5.508 1.00 0.00 C ATOM 1355 CG ARG A 93 -6.800 5.490 -5.578 1.00 0.00 C ATOM 1356 CD ARG A 93 -7.282 5.323 -7.011 1.00 0.00 C ATOM 1357 NE ARG A 93 -8.739 5.285 -7.097 1.00 0.00 N ATOM 1358 CZ ARG A 93 -9.408 5.297 -8.245 1.00 0.00 C ATOM 1359 NH1 ARG A 93 -8.753 5.346 -9.397 1.00 0.00 N ATOM 1360 NH2 ARG A 93 -10.734 5.260 -8.242 1.00 0.00 N ATOM 0 H ARG A 93 -4.898 7.983 -4.772 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.326 5.464 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.941 6.310 -6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.855 4.622 -5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.140 4.646 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.243 6.387 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.904 6.145 -7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.870 4.404 -7.427 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.272 5.247 -6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.733 5.375 -9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.269 5.355 -10.277 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.241 5.222 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.246 5.269 -9.124 1.00 0.00 H new ATOM 1374 N VAL A 94 -2.961 4.901 -2.921 1.00 0.00 N ATOM 1375 CA VAL A 94 -1.590 4.469 -2.679 1.00 0.00 C ATOM 1376 C VAL A 94 -1.364 3.049 -3.186 1.00 0.00 C ATOM 1377 O VAL A 94 -2.191 2.163 -2.971 1.00 0.00 O ATOM 1378 CB VAL A 94 -1.239 4.529 -1.180 1.00 0.00 C ATOM 1379 CG1 VAL A 94 0.138 3.932 -0.929 1.00 0.00 C ATOM 1380 CG2 VAL A 94 -1.307 5.962 -0.674 1.00 0.00 C ATOM 0 H VAL A 94 -3.626 4.618 -2.201 1.00 0.00 H new ATOM 0 HA VAL A 94 -0.941 5.154 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.971 3.938 -0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 94 0.368 3.983 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.148 2.891 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.886 4.493 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.056 5.986 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.599 6.578 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.315 6.351 -0.817 1.00 0.00 H new ATOM 1390 N TRP A 95 -0.238 2.840 -3.859 1.00 0.00 N ATOM 1391 CA TRP A 95 0.097 1.526 -4.397 1.00 0.00 C ATOM 1392 C TRP A 95 1.475 1.079 -3.922 1.00 0.00 C ATOM 1393 O TRP A 95 2.494 1.647 -4.318 1.00 0.00 O ATOM 1394 CB TRP A 95 0.055 1.552 -5.926 1.00 0.00 C ATOM 1395 CG TRP A 95 -1.285 1.934 -6.477 1.00 0.00 C ATOM 1396 CD1 TRP A 95 -2.351 1.107 -6.686 1.00 0.00 C ATOM 1397 CD2 TRP A 95 -1.702 3.241 -6.890 1.00 0.00 C ATOM 1398 NE1 TRP A 95 -3.405 1.820 -7.205 1.00 0.00 N ATOM 1399 CE2 TRP A 95 -3.032 3.131 -7.338 1.00 0.00 C ATOM 1400 CE3 TRP A 95 -1.081 4.492 -6.922 1.00 0.00 C ATOM 1401 CZ2 TRP A 95 -3.750 4.226 -7.814 1.00 0.00 C ATOM 1402 CZ3 TRP A 95 -1.794 5.577 -7.395 1.00 0.00 C ATOM 1403 CH2 TRP A 95 -3.117 5.439 -7.835 1.00 0.00 C ATOM 0 H TRP A 95 0.458 3.562 -4.045 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.642 0.812 -4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 95 0.804 2.255 -6.291 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.329 0.568 -6.307 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.364 0.048 -6.475 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.317 1.435 -7.451 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.062 4.609 -6.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -4.770 4.121 -8.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -1.323 6.548 -7.426 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.648 6.307 -8.198 1.00 0.00 H new ATOM 1414 N VAL A 96 1.501 0.059 -3.071 1.00 0.00 N ATOM 1415 CA VAL A 96 2.755 -0.465 -2.542 1.00 0.00 C ATOM 1416 C VAL A 96 3.044 -1.857 -3.093 1.00 0.00 C ATOM 1417 O VAL A 96 2.153 -2.702 -3.171 1.00 0.00 O ATOM 1418 CB VAL A 96 2.733 -0.528 -1.004 1.00 0.00 C ATOM 1419 CG1 VAL A 96 1.415 -1.104 -0.511 1.00 0.00 C ATOM 1420 CG2 VAL A 96 3.908 -1.345 -0.487 1.00 0.00 C ATOM 0 H VAL A 96 0.667 -0.422 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 96 3.543 0.219 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 96 2.826 0.486 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.419 -1.140 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.593 -0.474 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.287 -2.111 -0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.876 -1.379 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.849 -2.359 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.842 -0.884 -0.809 1.00 0.00 H new ATOM 1430 N ARG A 97 4.297 -2.089 -3.473 1.00 0.00 N ATOM 1431 CA ARG A 97 4.704 -3.378 -4.017 1.00 0.00 C ATOM 1432 C ARG A 97 6.094 -3.763 -3.520 1.00 0.00 C ATOM 1433 O ARG A 97 6.877 -2.907 -3.110 1.00 0.00 O ATOM 1434 CB ARG A 97 4.690 -3.338 -5.546 1.00 0.00 C ATOM 1435 CG ARG A 97 5.588 -2.263 -6.135 1.00 0.00 C ATOM 1436 CD ARG A 97 5.093 -1.810 -7.500 1.00 0.00 C ATOM 1437 NE ARG A 97 6.142 -1.145 -8.269 1.00 0.00 N ATOM 1438 CZ ARG A 97 5.900 -0.324 -9.285 1.00 0.00 C ATOM 1439 NH1 ARG A 97 4.651 -0.067 -9.651 1.00 0.00 N ATOM 1440 NH2 ARG A 97 6.907 0.243 -9.936 1.00 0.00 N ATOM 0 H ARG A 97 5.047 -1.400 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 97 3.993 -4.130 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 97 5.001 -4.310 -5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.668 -3.173 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.627 -1.409 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.605 -2.645 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.726 -2.672 -8.057 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.250 -1.130 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 97 7.113 -1.321 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.874 -0.500 -9.152 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.468 0.564 -10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.869 0.049 -9.657 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.720 0.873 -10.716 1.00 0.00 H new ATOM 1454 N ALA A 98 6.394 -5.058 -3.560 1.00 0.00 N ATOM 1455 CA ALA A 98 7.690 -5.556 -3.115 1.00 0.00 C ATOM 1456 C ALA A 98 8.654 -5.699 -4.288 1.00 0.00 C ATOM 1457 O ALA A 98 8.234 -5.841 -5.436 1.00 0.00 O ATOM 1458 CB ALA A 98 7.525 -6.888 -2.399 1.00 0.00 C ATOM 0 H ALA A 98 5.757 -5.780 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 98 8.112 -4.831 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.500 -7.249 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.877 -6.757 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.079 -7.614 -3.079 1.00 0.00 H new ATOM 1464 N HIS A 99 9.950 -5.659 -3.991 1.00 0.00 N ATOM 1465 CA HIS A 99 10.974 -5.784 -5.021 1.00 0.00 C ATOM 1466 C HIS A 99 11.982 -6.869 -4.656 1.00 0.00 C ATOM 1467 O HIS A 99 12.607 -6.821 -3.595 1.00 0.00 O ATOM 1468 CB HIS A 99 11.694 -4.449 -5.219 1.00 0.00 C ATOM 1469 CG HIS A 99 10.964 -3.504 -6.123 1.00 0.00 C ATOM 1470 ND1 HIS A 99 9.788 -2.879 -5.767 1.00 0.00 N ATOM 1471 CD2 HIS A 99 11.251 -3.077 -7.375 1.00 0.00 C ATOM 1472 CE1 HIS A 99 9.382 -2.109 -6.761 1.00 0.00 C ATOM 1473 NE2 HIS A 99 10.252 -2.212 -7.749 1.00 0.00 N ATOM 0 H HIS A 99 10.315 -5.541 -3.046 1.00 0.00 H new ATOM 0 HA HIS A 99 10.484 -6.066 -5.953 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.835 -3.974 -4.248 1.00 0.00 H new ATOM 0 HB3 HIS A 99 12.686 -4.638 -5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.106 -3.363 -7.969 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.491 -1.499 -6.765 1.00 0.00 H new ATOM 0 HE2 HIS A 99 10.192 -1.728 -8.645 1.00 0.00 H new ATOM 1482 N THR A 100 12.137 -7.849 -5.541 1.00 0.00 N ATOM 1483 CA THR A 100 13.067 -8.948 -5.311 1.00 0.00 C ATOM 1484 C THR A 100 14.413 -8.675 -5.972 1.00 0.00 C ATOM 1485 O THR A 100 14.480 -8.054 -7.033 1.00 0.00 O ATOM 1486 CB THR A 100 12.506 -10.280 -5.843 1.00 0.00 C ATOM 1487 OG1 THR A 100 11.806 -10.060 -7.073 1.00 0.00 O ATOM 1488 CG2 THR A 100 11.570 -10.917 -4.828 1.00 0.00 C ATOM 0 H THR A 100 11.630 -7.904 -6.424 1.00 0.00 H new ATOM 0 HA THR A 100 13.204 -9.026 -4.232 1.00 0.00 H new ATOM 0 HB THR A 100 13.342 -10.957 -6.017 1.00 0.00 H new ATOM 0 HG1 THR A 100 12.230 -9.326 -7.564 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.186 -11.856 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 100 12.113 -11.110 -3.903 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.738 -10.242 -4.626 1.00 0.00 H new ATOM 1496 N ASP A 101 15.483 -9.144 -5.339 1.00 0.00 N ATOM 1497 CA ASP A 101 16.829 -8.953 -5.868 1.00 0.00 C ATOM 1498 C ASP A 101 16.894 -9.343 -7.341 1.00 0.00 C ATOM 1499 O ASP A 101 17.801 -8.928 -8.064 1.00 0.00 O ATOM 1500 CB ASP A 101 17.837 -9.775 -5.064 1.00 0.00 C ATOM 1501 CG ASP A 101 19.208 -9.803 -5.711 1.00 0.00 C ATOM 1502 OD1 ASP A 101 19.651 -8.747 -6.210 1.00 0.00 O ATOM 1503 OD2 ASP A 101 19.838 -10.881 -5.718 1.00 0.00 O ATOM 0 H ASP A 101 15.445 -9.659 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 101 17.082 -7.896 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.921 -9.360 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.468 -10.795 -4.958 1.00 0.00 H new ATOM 1508 N VAL A 102 15.928 -10.143 -7.780 1.00 0.00 N ATOM 1509 CA VAL A 102 15.876 -10.589 -9.167 1.00 0.00 C ATOM 1510 C VAL A 102 15.145 -9.578 -10.043 1.00 0.00 C ATOM 1511 O VAL A 102 15.452 -9.427 -11.224 1.00 0.00 O ATOM 1512 CB VAL A 102 15.179 -11.957 -9.291 1.00 0.00 C ATOM 1513 CG1 VAL A 102 15.975 -13.030 -8.563 1.00 0.00 C ATOM 1514 CG2 VAL A 102 13.757 -11.880 -8.755 1.00 0.00 C ATOM 0 H VAL A 102 15.171 -10.496 -7.195 1.00 0.00 H new ATOM 0 HA VAL A 102 16.907 -10.682 -9.508 1.00 0.00 H new ATOM 0 HB VAL A 102 15.131 -12.227 -10.346 1.00 0.00 H new ATOM 0 HG11 VAL A 102 15.467 -13.989 -8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 102 16.972 -13.101 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 102 16.057 -12.769 -7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.279 -12.855 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.779 -11.588 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.193 -11.142 -9.325 1.00 0.00 H new ATOM 1524 N GLY A 103 14.175 -8.885 -9.454 1.00 0.00 N ATOM 1525 CA GLY A 103 13.415 -7.895 -10.195 1.00 0.00 C ATOM 1526 C GLY A 103 12.184 -7.429 -9.445 1.00 0.00 C ATOM 1527 O GLY A 103 11.855 -7.936 -8.372 1.00 0.00 O ATOM 0 H GLY A 103 13.902 -8.992 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.053 -7.037 -10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.114 -8.316 -11.155 1.00 0.00 H new ATOM 1531 N PRO A 104 11.480 -6.438 -10.012 1.00 0.00 N ATOM 1532 CA PRO A 104 10.267 -5.880 -9.406 1.00 0.00 C ATOM 1533 C PRO A 104 9.100 -6.860 -9.439 1.00 0.00 C ATOM 1534 O PRO A 104 9.232 -7.983 -9.925 1.00 0.00 O ATOM 1535 CB PRO A 104 9.965 -4.659 -10.277 1.00 0.00 C ATOM 1536 CG PRO A 104 10.589 -4.968 -11.594 1.00 0.00 C ATOM 1537 CD PRO A 104 11.814 -5.786 -11.289 1.00 0.00 C ATOM 0 HA PRO A 104 10.410 -5.643 -8.352 1.00 0.00 H new ATOM 0 HB2 PRO A 104 8.891 -4.499 -10.376 1.00 0.00 H new ATOM 0 HB3 PRO A 104 10.384 -3.751 -9.844 1.00 0.00 H new ATOM 0 HG2 PRO A 104 9.900 -5.520 -12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 104 10.853 -4.054 -12.125 1.00 0.00 H new ATOM 0 HD2 PRO A 104 12.015 -6.517 -12.073 1.00 0.00 H new ATOM 0 HD3 PRO A 104 12.703 -5.161 -11.201 1.00 0.00 H new ATOM 1545 N GLY A 105 7.955 -6.428 -8.919 1.00 0.00 N ATOM 1546 CA GLY A 105 6.780 -7.280 -8.899 1.00 0.00 C ATOM 1547 C GLY A 105 5.499 -6.506 -9.137 1.00 0.00 C ATOM 1548 O GLY A 105 5.516 -5.313 -9.438 1.00 0.00 O ATOM 0 H GLY A 105 7.820 -5.503 -8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.882 -8.052 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.720 -7.789 -7.937 1.00 0.00 H new ATOM 1552 N PRO A 106 4.355 -7.193 -9.002 1.00 0.00 N ATOM 1553 CA PRO A 106 3.037 -6.583 -9.200 1.00 0.00 C ATOM 1554 C PRO A 106 2.685 -5.590 -8.097 1.00 0.00 C ATOM 1555 O PRO A 106 3.464 -5.381 -7.168 1.00 0.00 O ATOM 1556 CB PRO A 106 2.083 -7.780 -9.166 1.00 0.00 C ATOM 1557 CG PRO A 106 2.795 -8.809 -8.359 1.00 0.00 C ATOM 1558 CD PRO A 106 4.259 -8.619 -8.644 1.00 0.00 C ATOM 0 HA PRO A 106 2.989 -6.008 -10.125 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.128 -7.513 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.868 -8.144 -10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.585 -8.686 -7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.471 -9.813 -8.633 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.872 -8.857 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 106 4.597 -9.261 -9.457 1.00 0.00 H new ATOM 1566 N GLU A 107 1.508 -4.982 -8.208 1.00 0.00 N ATOM 1567 CA GLU A 107 1.056 -4.011 -7.219 1.00 0.00 C ATOM 1568 C GLU A 107 0.026 -4.631 -6.279 1.00 0.00 C ATOM 1569 O GLU A 107 -0.493 -5.717 -6.539 1.00 0.00 O ATOM 1570 CB GLU A 107 0.457 -2.785 -7.912 1.00 0.00 C ATOM 1571 CG GLU A 107 1.493 -1.893 -8.575 1.00 0.00 C ATOM 1572 CD GLU A 107 0.872 -0.868 -9.504 1.00 0.00 C ATOM 1573 OE1 GLU A 107 -0.198 -0.326 -9.159 1.00 0.00 O ATOM 1574 OE2 GLU A 107 1.458 -0.608 -10.576 1.00 0.00 O ATOM 0 H GLU A 107 0.851 -5.144 -8.972 1.00 0.00 H new ATOM 0 HA GLU A 107 1.920 -3.701 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.259 -3.117 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.099 -2.200 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.070 -1.379 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.192 -2.511 -9.138 1.00 0.00 H new ATOM 1581 N SER A 108 -0.265 -3.933 -5.186 1.00 0.00 N ATOM 1582 CA SER A 108 -1.229 -4.417 -4.204 1.00 0.00 C ATOM 1583 C SER A 108 -2.546 -3.656 -4.317 1.00 0.00 C ATOM 1584 O SER A 108 -2.726 -2.833 -5.214 1.00 0.00 O ATOM 1585 CB SER A 108 -0.664 -4.274 -2.790 1.00 0.00 C ATOM 1586 OG SER A 108 -0.575 -2.912 -2.411 1.00 0.00 O ATOM 0 H SER A 108 0.153 -3.031 -4.958 1.00 0.00 H new ATOM 0 HA SER A 108 -1.419 -5.471 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.300 -4.810 -2.085 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.323 -4.733 -2.742 1.00 0.00 H new ATOM 0 HG SER A 108 0.281 -2.543 -2.715 1.00 0.00 H new ATOM 1592 N SER A 109 -3.466 -3.938 -3.399 1.00 0.00 N ATOM 1593 CA SER A 109 -4.769 -3.284 -3.396 1.00 0.00 C ATOM 1594 C SER A 109 -4.659 -1.857 -2.868 1.00 0.00 C ATOM 1595 O SER A 109 -4.263 -1.618 -1.727 1.00 0.00 O ATOM 1596 CB SER A 109 -5.761 -4.080 -2.546 1.00 0.00 C ATOM 1597 OG SER A 109 -6.512 -4.978 -3.344 1.00 0.00 O ATOM 0 H SER A 109 -3.332 -4.615 -2.648 1.00 0.00 H new ATOM 0 HA SER A 109 -5.131 -3.246 -4.423 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.223 -4.635 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 109 -6.435 -3.395 -2.032 1.00 0.00 H new ATOM 0 HG SER A 109 -7.137 -5.476 -2.777 1.00 0.00 H new ATOM 1603 N PRO A 110 -5.019 -0.883 -3.718 1.00 0.00 N ATOM 1604 CA PRO A 110 -4.971 0.538 -3.360 1.00 0.00 C ATOM 1605 C PRO A 110 -6.030 0.912 -2.328 1.00 0.00 C ATOM 1606 O PRO A 110 -7.225 0.719 -2.552 1.00 0.00 O ATOM 1607 CB PRO A 110 -5.244 1.248 -4.688 1.00 0.00 C ATOM 1608 CG PRO A 110 -6.016 0.260 -5.493 1.00 0.00 C ATOM 1609 CD PRO A 110 -5.501 -1.094 -5.093 1.00 0.00 C ATOM 0 HA PRO A 110 -4.020 0.811 -2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.812 2.166 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.315 1.526 -5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.084 0.345 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.875 0.431 -6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.285 -1.850 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.701 -1.430 -5.752 1.00 0.00 H new ATOM 1617 N VAL A 111 -5.584 1.448 -1.196 1.00 0.00 N ATOM 1618 CA VAL A 111 -6.493 1.851 -0.131 1.00 0.00 C ATOM 1619 C VAL A 111 -6.851 3.329 -0.243 1.00 0.00 C ATOM 1620 O VAL A 111 -5.975 4.194 -0.221 1.00 0.00 O ATOM 1621 CB VAL A 111 -5.883 1.586 1.258 1.00 0.00 C ATOM 1622 CG1 VAL A 111 -6.846 2.013 2.355 1.00 0.00 C ATOM 1623 CG2 VAL A 111 -5.512 0.118 1.405 1.00 0.00 C ATOM 0 H VAL A 111 -4.598 1.613 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 111 -7.397 1.252 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 111 -4.974 2.179 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.397 1.818 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -7.057 3.078 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.774 1.449 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -5.082 -0.052 2.392 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.405 -0.496 1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.783 -0.151 0.641 1.00 0.00 H new ATOM 1633 N LEU A 112 -8.144 3.611 -0.362 1.00 0.00 N ATOM 1634 CA LEU A 112 -8.619 4.985 -0.477 1.00 0.00 C ATOM 1635 C LEU A 112 -8.659 5.664 0.888 1.00 0.00 C ATOM 1636 O LEU A 112 -9.408 5.255 1.775 1.00 0.00 O ATOM 1637 CB LEU A 112 -10.010 5.013 -1.114 1.00 0.00 C ATOM 1638 CG LEU A 112 -10.178 4.195 -2.395 1.00 0.00 C ATOM 1639 CD1 LEU A 112 -11.566 4.401 -2.982 1.00 0.00 C ATOM 1640 CD2 LEU A 112 -9.107 4.569 -3.411 1.00 0.00 C ATOM 0 H LEU A 112 -8.882 2.907 -0.381 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.923 5.531 -1.114 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.731 4.654 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.267 6.050 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 112 -10.063 3.140 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.667 3.811 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.318 4.084 -2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -11.710 5.456 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.242 3.977 -4.316 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.190 5.628 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.121 4.370 -2.991 1.00 0.00 H new ATOM 1652 N VAL A 113 -7.849 6.705 1.050 1.00 0.00 N ATOM 1653 CA VAL A 113 -7.794 7.443 2.306 1.00 0.00 C ATOM 1654 C VAL A 113 -8.056 8.929 2.083 1.00 0.00 C ATOM 1655 O VAL A 113 -7.507 9.535 1.162 1.00 0.00 O ATOM 1656 CB VAL A 113 -6.428 7.273 2.998 1.00 0.00 C ATOM 1657 CG1 VAL A 113 -6.265 5.851 3.514 1.00 0.00 C ATOM 1658 CG2 VAL A 113 -5.299 7.636 2.045 1.00 0.00 C ATOM 0 H VAL A 113 -7.222 7.056 0.327 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.573 7.032 2.948 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.385 7.951 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.295 5.749 4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.055 5.632 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.328 5.152 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.342 7.510 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.337 6.985 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.409 8.673 1.729 1.00 0.00 H new ATOM 1668 N ARG A 114 -8.898 9.509 2.931 1.00 0.00 N ATOM 1669 CA ARG A 114 -9.233 10.924 2.826 1.00 0.00 C ATOM 1670 C ARG A 114 -8.562 11.726 3.938 1.00 0.00 C ATOM 1671 O ARG A 114 -8.967 11.660 5.099 1.00 0.00 O ATOM 1672 CB ARG A 114 -10.750 11.116 2.889 1.00 0.00 C ATOM 1673 CG ARG A 114 -11.188 12.561 2.712 1.00 0.00 C ATOM 1674 CD ARG A 114 -12.649 12.750 3.090 1.00 0.00 C ATOM 1675 NE ARG A 114 -13.543 12.499 1.963 1.00 0.00 N ATOM 1676 CZ ARG A 114 -13.950 11.286 1.604 1.00 0.00 C ATOM 1677 NH1 ARG A 114 -13.546 10.220 2.281 1.00 0.00 N ATOM 1678 NH2 ARG A 114 -14.764 11.139 0.566 1.00 0.00 N ATOM 0 H ARG A 114 -9.361 9.021 3.698 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.866 11.288 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.218 10.506 2.116 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -11.115 10.749 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.565 13.209 3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.037 12.864 1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.901 12.077 3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.801 13.766 3.454 1.00 0.00 H new ATOM 0 HE ARG A 114 -13.873 13.298 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.921 10.330 3.080 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -13.860 9.290 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -15.077 11.957 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -15.076 10.208 0.291 1.00 0.00 H new ATOM 1692 N THR A 115 -7.532 12.485 3.574 1.00 0.00 N ATOM 1693 CA THR A 115 -6.803 13.298 4.539 1.00 0.00 C ATOM 1694 C THR A 115 -7.750 14.192 5.331 1.00 0.00 C ATOM 1695 O THR A 115 -8.867 14.471 4.894 1.00 0.00 O ATOM 1696 CB THR A 115 -5.744 14.177 3.847 1.00 0.00 C ATOM 1697 OG1 THR A 115 -6.225 14.607 2.569 1.00 0.00 O ATOM 1698 CG2 THR A 115 -4.439 13.415 3.674 1.00 0.00 C ATOM 0 H THR A 115 -7.184 12.553 2.617 1.00 0.00 H new ATOM 0 HA THR A 115 -6.304 12.609 5.220 1.00 0.00 H new ATOM 0 HB THR A 115 -5.557 15.047 4.476 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.582 15.230 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.706 14.055 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.061 13.114 4.651 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.613 12.529 3.063 1.00 0.00 H new ATOM 1706 N ASP A 116 -7.298 14.638 6.497 1.00 0.00 N ATOM 1707 CA ASP A 116 -8.105 15.503 7.350 1.00 0.00 C ATOM 1708 C ASP A 116 -8.510 16.773 6.608 1.00 0.00 C ATOM 1709 O ASP A 116 -7.874 17.160 5.629 1.00 0.00 O ATOM 1710 CB ASP A 116 -7.335 15.865 8.621 1.00 0.00 C ATOM 1711 CG ASP A 116 -8.251 16.100 9.806 1.00 0.00 C ATOM 1712 OD1 ASP A 116 -8.891 15.130 10.262 1.00 0.00 O ATOM 1713 OD2 ASP A 116 -8.328 17.254 10.277 1.00 0.00 O ATOM 0 H ASP A 116 -6.377 14.415 6.874 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.009 14.959 7.624 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.636 15.063 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.742 16.762 8.440 1.00 0.00 H new ATOM 1718 N GLU A 117 -9.574 17.415 7.081 1.00 0.00 N ATOM 1719 CA GLU A 117 -10.065 18.640 6.461 1.00 0.00 C ATOM 1720 C GLU A 117 -9.593 19.868 7.233 1.00 0.00 C ATOM 1721 O GLU A 117 -9.494 19.843 8.460 1.00 0.00 O ATOM 1722 CB GLU A 117 -11.593 18.625 6.390 1.00 0.00 C ATOM 1723 CG GLU A 117 -12.266 19.127 7.656 1.00 0.00 C ATOM 1724 CD GLU A 117 -12.025 18.218 8.845 1.00 0.00 C ATOM 1725 OE1 GLU A 117 -11.835 17.002 8.634 1.00 0.00 O ATOM 1726 OE2 GLU A 117 -12.027 18.723 9.987 1.00 0.00 O ATOM 0 H GLU A 117 -10.112 17.107 7.891 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.662 18.691 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.915 19.239 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.929 17.608 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -11.897 20.126 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.338 19.215 7.482 1.00 0.00 H new ATOM 1733 N ASP A 118 -9.302 20.941 6.506 1.00 0.00 N ATOM 1734 CA ASP A 118 -8.841 22.180 7.122 1.00 0.00 C ATOM 1735 C ASP A 118 -10.021 23.031 7.580 1.00 0.00 C ATOM 1736 O ASP A 118 -9.940 23.732 8.589 1.00 0.00 O ATOM 1737 CB ASP A 118 -7.976 22.971 6.139 1.00 0.00 C ATOM 1738 CG ASP A 118 -7.241 24.117 6.808 1.00 0.00 C ATOM 1739 OD1 ASP A 118 -6.225 23.856 7.485 1.00 0.00 O ATOM 1740 OD2 ASP A 118 -7.682 25.275 6.653 1.00 0.00 O ATOM 0 H ASP A 118 -9.377 20.978 5.489 1.00 0.00 H new ATOM 0 HA ASP A 118 -8.242 21.922 7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -7.253 22.301 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -8.605 23.364 5.340 1.00 0.00 H new ATOM 1745 N VAL A 119 -11.117 22.967 6.831 1.00 0.00 N ATOM 1746 CA VAL A 119 -12.314 23.732 7.160 1.00 0.00 C ATOM 1747 C VAL A 119 -12.814 23.395 8.560 1.00 0.00 C ATOM 1748 O VAL A 119 -12.647 22.280 9.054 1.00 0.00 O ATOM 1749 CB VAL A 119 -13.444 23.469 6.146 1.00 0.00 C ATOM 1750 CG1 VAL A 119 -12.984 23.805 4.735 1.00 0.00 C ATOM 1751 CG2 VAL A 119 -13.913 22.025 6.234 1.00 0.00 C ATOM 0 H VAL A 119 -11.201 22.393 5.992 1.00 0.00 H new ATOM 0 HA VAL A 119 -12.038 24.786 7.120 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.287 24.116 6.391 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -13.795 23.613 4.033 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -12.702 24.857 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -12.125 23.186 4.475 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.711 21.857 5.511 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -13.079 21.358 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.285 21.824 7.239 1.00 0.00 H new ATOM 1761 N PRO A 120 -13.443 24.381 9.217 1.00 0.00 N ATOM 1762 CA PRO A 120 -13.982 24.212 10.569 1.00 0.00 C ATOM 1763 C PRO A 120 -15.193 23.286 10.600 1.00 0.00 C ATOM 1764 O PRO A 120 -15.808 23.087 11.648 1.00 0.00 O ATOM 1765 CB PRO A 120 -14.386 25.634 10.970 1.00 0.00 C ATOM 1766 CG PRO A 120 -14.639 26.333 9.679 1.00 0.00 C ATOM 1767 CD PRO A 120 -13.678 25.735 8.689 1.00 0.00 C ATOM 0 HA PRO A 120 -13.257 23.754 11.242 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -15.276 25.630 11.599 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -13.596 26.125 11.538 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -15.670 26.193 9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -14.479 27.407 9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -14.101 25.707 7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -12.753 26.309 8.629 1.00 0.00 H new ATOM 1775 N SER A 121 -15.529 22.720 9.445 1.00 0.00 N ATOM 1776 CA SER A 121 -16.669 21.817 9.340 1.00 0.00 C ATOM 1777 C SER A 121 -16.224 20.364 9.474 1.00 0.00 C ATOM 1778 O SER A 121 -15.059 20.036 9.253 1.00 0.00 O ATOM 1779 CB SER A 121 -17.387 22.021 8.004 1.00 0.00 C ATOM 1780 OG SER A 121 -17.514 23.399 7.699 1.00 0.00 O ATOM 0 H SER A 121 -15.028 22.871 8.569 1.00 0.00 H new ATOM 0 HA SER A 121 -17.358 22.045 10.153 1.00 0.00 H new ATOM 0 HB2 SER A 121 -16.834 21.519 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 121 -18.375 21.562 8.044 1.00 0.00 H new ATOM 0 HG SER A 121 -17.974 23.503 6.840 1.00 0.00 H new ATOM 1786 N GLY A 122 -17.163 19.495 9.839 1.00 0.00 N ATOM 1787 CA GLY A 122 -16.850 18.087 9.997 1.00 0.00 C ATOM 1788 C GLY A 122 -18.081 17.207 9.916 1.00 0.00 C ATOM 1789 O GLY A 122 -19.108 17.588 9.354 1.00 0.00 O ATOM 0 H GLY A 122 -18.135 19.742 10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -16.141 17.787 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -16.359 17.933 10.958 1.00 0.00 H new ATOM 1793 N PRO A 123 -17.987 15.997 10.487 1.00 0.00 N ATOM 1794 CA PRO A 123 -19.092 15.034 10.490 1.00 0.00 C ATOM 1795 C PRO A 123 -20.243 15.476 11.387 1.00 0.00 C ATOM 1796 O PRO A 123 -20.055 16.184 12.376 1.00 0.00 O ATOM 1797 CB PRO A 123 -18.449 13.757 11.036 1.00 0.00 C ATOM 1798 CG PRO A 123 -17.298 14.232 11.853 1.00 0.00 C ATOM 1799 CD PRO A 123 -16.793 15.476 11.175 1.00 0.00 C ATOM 0 HA PRO A 123 -19.532 14.916 9.500 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -19.154 13.186 11.640 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -18.118 13.104 10.229 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.607 14.444 12.877 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -16.518 13.473 11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -16.398 16.194 11.894 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -15.990 15.253 10.473 1.00 0.00 H new ATOM 1807 N PRO A 124 -21.465 15.048 11.036 1.00 0.00 N ATOM 1808 CA PRO A 124 -22.672 15.387 11.797 1.00 0.00 C ATOM 1809 C PRO A 124 -22.713 14.696 13.155 1.00 0.00 C ATOM 1810 O PRO A 124 -22.100 13.646 13.347 1.00 0.00 O ATOM 1811 CB PRO A 124 -23.808 14.882 10.905 1.00 0.00 C ATOM 1812 CG PRO A 124 -23.195 13.796 10.090 1.00 0.00 C ATOM 1813 CD PRO A 124 -21.764 14.201 9.869 1.00 0.00 C ATOM 0 HA PRO A 124 -22.728 16.453 12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -24.642 14.508 11.499 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -24.199 15.679 10.273 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -23.254 12.839 10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -23.718 13.678 9.141 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -21.104 13.335 9.822 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -21.641 14.747 8.934 1.00 0.00 H new ATOM 1821 N ARG A 125 -23.440 15.292 14.095 1.00 0.00 N ATOM 1822 CA ARG A 125 -23.560 14.733 15.436 1.00 0.00 C ATOM 1823 C ARG A 125 -24.999 14.315 15.724 1.00 0.00 C ATOM 1824 O ARG A 125 -25.945 14.904 15.200 1.00 0.00 O ATOM 1825 CB ARG A 125 -23.095 15.750 16.480 1.00 0.00 C ATOM 1826 CG ARG A 125 -22.803 15.138 17.840 1.00 0.00 C ATOM 1827 CD ARG A 125 -21.959 16.067 18.699 1.00 0.00 C ATOM 1828 NE ARG A 125 -20.528 15.851 18.495 1.00 0.00 N ATOM 1829 CZ ARG A 125 -19.584 16.517 19.151 1.00 0.00 C ATOM 1830 NH1 ARG A 125 -19.917 17.435 20.048 1.00 0.00 N ATOM 1831 NH2 ARG A 125 -18.304 16.264 18.911 1.00 0.00 N ATOM 0 H ARG A 125 -23.954 16.161 13.952 1.00 0.00 H new ATOM 0 HA ARG A 125 -22.924 13.849 15.492 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -22.197 16.248 16.115 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -23.861 16.517 16.593 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -23.741 14.920 18.351 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -22.283 14.189 17.709 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -22.207 17.102 18.465 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -22.203 15.911 19.750 1.00 0.00 H new ATOM 0 HE ARG A 125 -20.238 15.151 17.812 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -20.900 17.631 20.236 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.190 17.945 20.550 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -18.044 15.558 18.222 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -17.580 16.776 19.415 1.00 0.00 H new ATOM 1845 N LYS A 126 -25.157 13.294 16.560 1.00 0.00 N ATOM 1846 CA LYS A 126 -26.480 12.796 16.918 1.00 0.00 C ATOM 1847 C LYS A 126 -27.393 13.939 17.350 1.00 0.00 C ATOM 1848 O LYS A 126 -27.490 14.255 18.536 1.00 0.00 O ATOM 1849 CB LYS A 126 -26.371 11.764 18.043 1.00 0.00 C ATOM 1850 CG LYS A 126 -25.592 10.519 17.653 1.00 0.00 C ATOM 1851 CD LYS A 126 -26.485 9.492 16.978 1.00 0.00 C ATOM 1852 CE LYS A 126 -26.707 9.824 15.510 1.00 0.00 C ATOM 1853 NZ LYS A 126 -27.011 8.608 14.706 1.00 0.00 N ATOM 0 H LYS A 126 -24.385 12.795 17.002 1.00 0.00 H new ATOM 0 HA LYS A 126 -26.913 12.321 16.037 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -25.891 12.228 18.905 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -27.374 11.472 18.355 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -24.779 10.793 16.981 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -25.138 10.080 18.541 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -26.034 8.504 17.064 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -27.445 9.450 17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -27.529 10.534 15.419 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -25.818 10.311 15.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -27.156 8.876 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -26.216 7.940 14.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -27.874 8.157 15.072 1.00 0.00 H new ATOM 1867 N VAL A 127 -28.061 14.555 16.381 1.00 0.00 N ATOM 1868 CA VAL A 127 -28.969 15.662 16.661 1.00 0.00 C ATOM 1869 C VAL A 127 -30.424 15.230 16.516 1.00 0.00 C ATOM 1870 O VAL A 127 -30.950 15.156 15.406 1.00 0.00 O ATOM 1871 CB VAL A 127 -28.703 16.856 15.726 1.00 0.00 C ATOM 1872 CG1 VAL A 127 -29.667 17.994 16.026 1.00 0.00 C ATOM 1873 CG2 VAL A 127 -27.260 17.322 15.855 1.00 0.00 C ATOM 0 H VAL A 127 -27.991 14.307 15.394 1.00 0.00 H new ATOM 0 HA VAL A 127 -28.786 15.969 17.691 1.00 0.00 H new ATOM 0 HB VAL A 127 -28.867 16.534 14.698 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -29.464 18.829 15.356 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -30.691 17.651 15.879 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -29.537 18.318 17.059 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -27.089 18.166 15.187 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -27.067 17.628 16.883 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -26.589 16.506 15.587 1.00 0.00 H new ATOM 1883 N GLU A 128 -31.067 14.947 17.644 1.00 0.00 N ATOM 1884 CA GLU A 128 -32.462 14.523 17.641 1.00 0.00 C ATOM 1885 C GLU A 128 -32.698 13.437 16.595 1.00 0.00 C ATOM 1886 O GLU A 128 -33.682 13.475 15.856 1.00 0.00 O ATOM 1887 CB GLU A 128 -33.381 15.716 17.369 1.00 0.00 C ATOM 1888 CG GLU A 128 -33.768 16.483 18.622 1.00 0.00 C ATOM 1889 CD GLU A 128 -32.565 16.899 19.446 1.00 0.00 C ATOM 1890 OE1 GLU A 128 -31.913 17.899 19.079 1.00 0.00 O ATOM 1891 OE2 GLU A 128 -32.276 16.226 20.457 1.00 0.00 O ATOM 0 H GLU A 128 -30.645 15.004 18.571 1.00 0.00 H new ATOM 0 HA GLU A 128 -32.692 14.113 18.624 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -32.885 16.395 16.676 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -34.286 15.362 16.876 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -34.335 17.370 18.340 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -34.426 15.865 19.233 1.00 0.00 H new ATOM 1898 N SER A 129 -31.788 12.470 16.539 1.00 0.00 N ATOM 1899 CA SER A 129 -31.893 11.375 15.581 1.00 0.00 C ATOM 1900 C SER A 129 -33.063 10.460 15.929 1.00 0.00 C ATOM 1901 O SER A 129 -32.990 9.670 16.869 1.00 0.00 O ATOM 1902 CB SER A 129 -30.593 10.570 15.550 1.00 0.00 C ATOM 1903 OG SER A 129 -29.655 11.149 14.659 1.00 0.00 O ATOM 0 H SER A 129 -30.969 12.422 17.146 1.00 0.00 H new ATOM 0 HA SER A 129 -32.070 11.803 14.594 1.00 0.00 H new ATOM 0 HB2 SER A 129 -30.167 10.524 16.552 1.00 0.00 H new ATOM 0 HB3 SER A 129 -30.804 9.545 15.245 1.00 0.00 H new ATOM 0 HG SER A 129 -29.235 10.444 14.123 1.00 0.00 H new ATOM 1909 N GLY A 130 -34.144 10.574 15.162 1.00 0.00 N ATOM 1910 CA GLY A 130 -35.315 9.752 15.404 1.00 0.00 C ATOM 1911 C GLY A 130 -36.037 9.380 14.124 1.00 0.00 C ATOM 1912 O GLY A 130 -35.874 10.021 13.086 1.00 0.00 O ATOM 0 H GLY A 130 -34.229 11.221 14.378 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -35.016 8.843 15.926 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -36.000 10.286 16.062 1.00 0.00 H new ATOM 1916 N PRO A 131 -36.855 8.319 14.189 1.00 0.00 N ATOM 1917 CA PRO A 131 -37.620 7.838 13.034 1.00 0.00 C ATOM 1918 C PRO A 131 -38.736 8.799 12.637 1.00 0.00 C ATOM 1919 O PRO A 131 -38.954 9.817 13.293 1.00 0.00 O ATOM 1920 CB PRO A 131 -38.206 6.512 13.524 1.00 0.00 C ATOM 1921 CG PRO A 131 -38.271 6.651 15.006 1.00 0.00 C ATOM 1922 CD PRO A 131 -37.098 7.508 15.393 1.00 0.00 C ATOM 0 HA PRO A 131 -36.998 7.742 12.144 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -39.194 6.335 13.099 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -37.578 5.670 13.233 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -39.210 7.112 15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -38.220 5.677 15.492 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -37.324 8.131 16.258 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -36.228 6.905 15.653 1.00 0.00 H new ATOM 1930 N SER A 132 -39.440 8.468 11.559 1.00 0.00 N ATOM 1931 CA SER A 132 -40.532 9.303 11.073 1.00 0.00 C ATOM 1932 C SER A 132 -41.792 8.473 10.847 1.00 0.00 C ATOM 1933 O SER A 132 -41.804 7.553 10.030 1.00 0.00 O ATOM 1934 CB SER A 132 -40.127 10.002 9.773 1.00 0.00 C ATOM 1935 OG SER A 132 -41.099 10.956 9.383 1.00 0.00 O ATOM 0 H SER A 132 -39.273 7.627 11.006 1.00 0.00 H new ATOM 0 HA SER A 132 -40.746 10.056 11.831 1.00 0.00 H new ATOM 0 HB2 SER A 132 -39.163 10.494 9.906 1.00 0.00 H new ATOM 0 HB3 SER A 132 -40.001 9.262 8.982 1.00 0.00 H new ATOM 0 HG SER A 132 -40.816 11.390 8.551 1.00 0.00 H new ATOM 1941 N SER A 133 -42.851 8.806 11.577 1.00 0.00 N ATOM 1942 CA SER A 133 -44.116 8.090 11.461 1.00 0.00 C ATOM 1943 C SER A 133 -44.405 7.732 10.006 1.00 0.00 C ATOM 1944 O SER A 133 -44.608 6.566 9.671 1.00 0.00 O ATOM 1945 CB SER A 133 -45.259 8.935 12.027 1.00 0.00 C ATOM 1946 OG SER A 133 -45.632 9.960 11.121 1.00 0.00 O ATOM 0 H SER A 133 -42.858 9.568 12.256 1.00 0.00 H new ATOM 0 HA SER A 133 -44.037 7.167 12.036 1.00 0.00 H new ATOM 0 HB2 SER A 133 -46.119 8.298 12.234 1.00 0.00 H new ATOM 0 HB3 SER A 133 -44.954 9.377 12.976 1.00 0.00 H new ATOM 0 HG SER A 133 -46.365 10.485 11.505 1.00 0.00 H new ATOM 1952 N GLY A 134 -44.422 8.746 9.146 1.00 0.00 N ATOM 1953 CA GLY A 134 -44.687 8.519 7.737 1.00 0.00 C ATOM 1954 C GLY A 134 -45.766 9.436 7.195 1.00 0.00 C ATOM 1955 O GLY A 134 -46.514 10.045 7.960 1.00 0.00 O ATOM 0 H GLY A 134 -44.257 9.720 9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -43.769 8.668 7.169 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -44.988 7.482 7.590 1.00 0.00 H new TER 1959 GLY A 134