USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 855 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 64 LYS NZ :NH3+ -119:sc= 0.00351 (180deg=0) USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= -0.85 F(o=-1.9!,f=-0.85) USER MOD Set 2.1: A 62 THR OG1 : rot 180:sc= -0.118 USER MOD Set 2.2: A 98 MET CE :methyl -125:sc= -1.23 (180deg=-2.22) USER MOD Set 3.1: A 27 TYR OH : rot 50:sc= 1.35 USER MOD Set 3.2: A 30 GLN :FLIP amide:sc= 0.958 F(o=-0.28,f=2.3) USER MOD Set 4.1: A 2 THR OG1 : rot 140:sc= 1.35 USER MOD Set 4.2: A 6 LYS NZ :NH3+ 177:sc= 0.278 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.41) USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0287 (180deg=-0.36) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -155:sc= -0.385 (180deg=-0.97) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -132:sc= -1.78! (180deg=-4.07!) USER MOD Single : A 33 THR OG1 : rot 82:sc= -1.54 USER MOD Single : A 41 THR OG1 : rot 136:sc= 0.314 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.028) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0602 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0.333 (180deg=0.331) USER MOD Single : A 65 MET CE :methyl -166:sc= -3.14! (180deg=-4.35!) USER MOD Single : A 70 LYS NZ :NH3+ -147:sc= -0.191 (180deg=-1.5!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.82 K(o=-1.8,f=-2.4) USER MOD Single : A 82 THR OG1 : rot 25:sc= -1.35! USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -90:sc= -1.14 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0.123 X(o=0.12,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.813 12.742 -19.663 1.00 0.00 N ATOM 2 CA ALA A 1 12.832 13.318 -18.287 1.00 0.00 C ATOM 3 C ALA A 1 11.454 13.904 -17.956 1.00 0.00 C ATOM 4 O ALA A 1 11.038 14.899 -18.526 1.00 0.00 O ATOM 5 CB ALA A 1 13.893 14.419 -18.207 1.00 0.00 C ATOM 0 H1 ALA A 1 13.748 12.345 -19.886 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.096 11.990 -19.715 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.581 13.489 -20.349 1.00 0.00 H new ATOM 0 HA ALA A 1 13.072 12.533 -17.569 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.906 14.839 -17.201 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.872 13.998 -18.437 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.657 15.204 -18.925 1.00 0.00 H new ATOM 13 N THR A 2 10.743 13.287 -17.040 1.00 0.00 N ATOM 14 CA THR A 2 9.386 13.793 -16.660 1.00 0.00 C ATOM 15 C THR A 2 9.195 13.665 -15.142 1.00 0.00 C ATOM 16 O THR A 2 9.312 12.588 -14.583 1.00 0.00 O ATOM 17 CB THR A 2 8.303 12.979 -17.385 1.00 0.00 C ATOM 18 OG1 THR A 2 8.582 11.589 -17.265 1.00 0.00 O ATOM 19 CG2 THR A 2 8.272 13.367 -18.865 1.00 0.00 C ATOM 0 H THR A 2 11.046 12.452 -16.538 1.00 0.00 H new ATOM 0 HA THR A 2 9.301 14.840 -16.950 1.00 0.00 H new ATOM 0 HB THR A 2 7.334 13.192 -16.933 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.748 11.100 -17.106 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.503 12.788 -19.377 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.048 14.430 -18.958 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.242 13.160 -19.316 1.00 0.00 H new ATOM 27 N SER A 3 8.899 14.758 -14.475 1.00 0.00 N ATOM 28 CA SER A 3 8.696 14.718 -12.994 1.00 0.00 C ATOM 29 C SER A 3 7.197 14.578 -12.668 1.00 0.00 C ATOM 30 O SER A 3 6.690 15.188 -11.742 1.00 0.00 O ATOM 31 CB SER A 3 9.254 16.006 -12.369 1.00 0.00 C ATOM 32 OG SER A 3 8.606 17.136 -12.941 1.00 0.00 O ATOM 0 H SER A 3 8.789 15.680 -14.898 1.00 0.00 H new ATOM 0 HA SER A 3 9.223 13.858 -12.581 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.101 15.994 -11.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.329 16.067 -12.537 1.00 0.00 H new ATOM 0 HG SER A 3 8.963 17.956 -12.539 1.00 0.00 H new ATOM 38 N THR A 4 6.489 13.767 -13.422 1.00 0.00 N ATOM 39 CA THR A 4 5.026 13.571 -13.169 1.00 0.00 C ATOM 40 C THR A 4 4.607 12.164 -13.629 1.00 0.00 C ATOM 41 O THR A 4 3.899 11.465 -12.927 1.00 0.00 O ATOM 42 CB THR A 4 4.219 14.644 -13.924 1.00 0.00 C ATOM 43 OG1 THR A 4 2.828 14.373 -13.798 1.00 0.00 O ATOM 44 CG2 THR A 4 4.604 14.656 -15.408 1.00 0.00 C ATOM 0 H THR A 4 6.865 13.231 -14.204 1.00 0.00 H new ATOM 0 HA THR A 4 4.825 13.668 -12.102 1.00 0.00 H new ATOM 0 HB THR A 4 4.444 15.619 -13.492 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.317 15.058 -14.278 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.025 15.419 -15.928 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.667 14.877 -15.506 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.394 13.680 -15.846 1.00 0.00 H new ATOM 52 N LYS A 5 5.046 11.745 -14.796 1.00 0.00 N ATOM 53 CA LYS A 5 4.690 10.387 -15.305 1.00 0.00 C ATOM 54 C LYS A 5 5.978 9.659 -15.710 1.00 0.00 C ATOM 55 O LYS A 5 6.477 9.828 -16.809 1.00 0.00 O ATOM 56 CB LYS A 5 3.762 10.517 -16.520 1.00 0.00 C ATOM 57 CG LYS A 5 2.414 11.097 -16.081 1.00 0.00 C ATOM 58 CD LYS A 5 2.071 12.316 -16.945 1.00 0.00 C ATOM 59 CE LYS A 5 1.591 11.853 -18.324 1.00 0.00 C ATOM 60 NZ LYS A 5 0.256 12.450 -18.616 1.00 0.00 N ATOM 0 H LYS A 5 5.640 12.293 -15.419 1.00 0.00 H new ATOM 0 HA LYS A 5 4.175 9.822 -14.528 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.219 11.161 -17.271 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.615 9.541 -16.984 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.634 10.341 -16.175 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.455 11.384 -15.030 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.297 12.911 -16.461 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.946 12.957 -17.050 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.309 12.150 -19.089 1.00 0.00 H new ATOM 0 HE3 LYS A 5 1.528 10.765 -18.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.068 12.134 -19.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.426 12.145 -17.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.330 13.487 -18.607 1.00 0.00 H new ATOM 74 N LYS A 6 6.527 8.866 -14.820 1.00 0.00 N ATOM 75 CA LYS A 6 7.791 8.137 -15.136 1.00 0.00 C ATOM 76 C LYS A 6 7.644 6.647 -14.801 1.00 0.00 C ATOM 77 O LYS A 6 7.808 5.800 -15.660 1.00 0.00 O ATOM 78 CB LYS A 6 8.936 8.739 -14.314 1.00 0.00 C ATOM 79 CG LYS A 6 10.279 8.325 -14.922 1.00 0.00 C ATOM 80 CD LYS A 6 10.786 9.432 -15.851 1.00 0.00 C ATOM 81 CE LYS A 6 10.737 8.951 -17.303 1.00 0.00 C ATOM 82 NZ LYS A 6 11.073 10.081 -18.215 1.00 0.00 N ATOM 0 H LYS A 6 6.151 8.694 -13.887 1.00 0.00 H new ATOM 0 HA LYS A 6 8.006 8.236 -16.200 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.853 9.826 -14.297 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.873 8.399 -13.280 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.006 8.139 -14.131 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.167 7.394 -15.477 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.175 10.327 -15.734 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.806 9.706 -15.583 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.440 8.131 -17.449 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.744 8.565 -17.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.089 9.741 -19.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.357 10.829 -18.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.008 10.462 -17.965 1.00 0.00 H new ATOM 96 N LEU A 7 7.354 6.324 -13.557 1.00 0.00 N ATOM 97 CA LEU A 7 7.213 4.889 -13.148 1.00 0.00 C ATOM 98 C LEU A 7 8.555 4.172 -13.393 1.00 0.00 C ATOM 99 O LEU A 7 8.659 3.274 -14.211 1.00 0.00 O ATOM 100 CB LEU A 7 6.083 4.227 -13.959 1.00 0.00 C ATOM 101 CG LEU A 7 5.106 3.521 -13.011 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.237 4.558 -12.293 1.00 0.00 C ATOM 103 CD2 LEU A 7 4.205 2.576 -13.814 1.00 0.00 C ATOM 0 H LEU A 7 7.209 6.999 -12.806 1.00 0.00 H new ATOM 0 HA LEU A 7 6.958 4.820 -12.091 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.555 4.979 -14.545 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.502 3.509 -14.664 1.00 0.00 H new ATOM 0 HG LEU A 7 5.673 2.951 -12.275 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.545 4.050 -11.621 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.873 5.231 -11.718 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.673 5.132 -13.028 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.511 2.075 -13.140 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.644 3.148 -14.552 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.819 1.832 -14.322 1.00 0.00 H new ATOM 115 N HIS A 8 9.589 4.589 -12.692 1.00 0.00 N ATOM 116 CA HIS A 8 10.939 3.970 -12.874 1.00 0.00 C ATOM 117 C HIS A 8 11.019 2.639 -12.096 1.00 0.00 C ATOM 118 O HIS A 8 10.214 1.757 -12.315 1.00 0.00 O ATOM 119 CB HIS A 8 12.011 4.961 -12.395 1.00 0.00 C ATOM 120 CG HIS A 8 13.333 4.625 -13.033 1.00 0.00 C ATOM 121 ND1 HIS A 8 13.512 4.622 -14.408 1.00 0.00 N ATOM 122 CD2 HIS A 8 14.548 4.274 -12.497 1.00 0.00 C ATOM 123 CE1 HIS A 8 14.790 4.279 -14.650 1.00 0.00 C ATOM 124 NE2 HIS A 8 15.466 4.056 -13.520 1.00 0.00 N ATOM 0 H HIS A 8 9.551 5.336 -11.999 1.00 0.00 H new ATOM 0 HA HIS A 8 11.111 3.749 -13.927 1.00 0.00 H new ATOM 0 HB2 HIS A 8 11.720 5.979 -12.653 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.099 4.920 -11.309 1.00 0.00 H new ATOM 0 HD2 HIS A 8 14.759 4.181 -11.442 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.218 4.194 -15.638 1.00 0.00 H new ATOM 0 HE2 HIS A 8 16.445 3.784 -13.427 1.00 0.00 H new ATOM 132 N LYS A 9 11.980 2.474 -11.204 1.00 0.00 N ATOM 133 CA LYS A 9 12.094 1.188 -10.440 1.00 0.00 C ATOM 134 C LYS A 9 13.259 1.278 -9.441 1.00 0.00 C ATOM 135 O LYS A 9 14.318 1.789 -9.755 1.00 0.00 O ATOM 136 CB LYS A 9 12.339 0.025 -11.413 1.00 0.00 C ATOM 137 CG LYS A 9 13.384 0.426 -12.460 1.00 0.00 C ATOM 138 CD LYS A 9 13.728 -0.785 -13.334 1.00 0.00 C ATOM 139 CE LYS A 9 12.620 -1.008 -14.369 1.00 0.00 C ATOM 140 NZ LYS A 9 12.680 0.059 -15.410 1.00 0.00 N ATOM 0 H LYS A 9 12.685 3.175 -10.976 1.00 0.00 H new ATOM 0 HA LYS A 9 11.166 1.013 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.681 -0.853 -10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.406 -0.250 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.000 1.237 -13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.282 0.799 -11.968 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.681 -0.623 -13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.842 -1.673 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.734 -1.988 -14.832 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.646 -0.998 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.211 -0.274 -16.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.198 0.912 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.673 0.284 -15.619 1.00 0.00 H new ATOM 154 N GLU A 10 13.062 0.778 -8.240 1.00 0.00 N ATOM 155 CA GLU A 10 14.133 0.816 -7.198 1.00 0.00 C ATOM 156 C GLU A 10 13.794 -0.243 -6.144 1.00 0.00 C ATOM 157 O GLU A 10 12.728 -0.194 -5.566 1.00 0.00 O ATOM 158 CB GLU A 10 14.163 2.200 -6.535 1.00 0.00 C ATOM 159 CG GLU A 10 15.196 3.093 -7.233 1.00 0.00 C ATOM 160 CD GLU A 10 14.537 4.410 -7.661 1.00 0.00 C ATOM 161 OE1 GLU A 10 13.900 4.422 -8.703 1.00 0.00 O ATOM 162 OE2 GLU A 10 14.681 5.384 -6.939 1.00 0.00 O ATOM 0 H GLU A 10 12.192 0.340 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 10 15.107 0.620 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.176 2.660 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 10 14.411 2.101 -5.478 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.030 3.294 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.605 2.580 -8.104 1.00 0.00 H new ATOM 169 N PRO A 11 14.694 -1.177 -5.935 1.00 0.00 N ATOM 170 CA PRO A 11 14.482 -2.270 -4.968 1.00 0.00 C ATOM 171 C PRO A 11 13.953 -1.753 -3.629 1.00 0.00 C ATOM 172 O PRO A 11 14.459 -0.803 -3.057 1.00 0.00 O ATOM 173 CB PRO A 11 15.842 -2.930 -4.818 1.00 0.00 C ATOM 174 CG PRO A 11 16.723 -2.413 -5.974 1.00 0.00 C ATOM 175 CD PRO A 11 15.994 -1.224 -6.624 1.00 0.00 C ATOM 0 HA PRO A 11 13.725 -2.974 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.287 -2.683 -3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.751 -4.015 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 11 17.700 -2.105 -5.602 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.895 -3.202 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.549 -0.295 -6.491 1.00 0.00 H new ATOM 0 HD3 PRO A 11 15.871 -1.371 -7.697 1.00 0.00 H new ATOM 183 N ALA A 12 12.921 -2.393 -3.149 1.00 0.00 N ATOM 184 CA ALA A 12 12.285 -2.002 -1.857 1.00 0.00 C ATOM 185 C ALA A 12 12.356 -3.188 -0.883 1.00 0.00 C ATOM 186 O ALA A 12 13.209 -4.051 -1.013 1.00 0.00 O ATOM 187 CB ALA A 12 10.824 -1.629 -2.123 1.00 0.00 C ATOM 0 H ALA A 12 12.482 -3.190 -3.610 1.00 0.00 H new ATOM 0 HA ALA A 12 12.805 -1.150 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.346 -1.341 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.783 -0.795 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.301 -2.486 -2.549 1.00 0.00 H new ATOM 193 N THR A 13 11.469 -3.247 0.083 1.00 0.00 N ATOM 194 CA THR A 13 11.484 -4.386 1.048 1.00 0.00 C ATOM 195 C THR A 13 10.044 -4.722 1.452 1.00 0.00 C ATOM 196 O THR A 13 9.293 -3.867 1.886 1.00 0.00 O ATOM 197 CB THR A 13 12.318 -4.015 2.288 1.00 0.00 C ATOM 198 OG1 THR A 13 12.313 -5.101 3.207 1.00 0.00 O ATOM 199 CG2 THR A 13 11.739 -2.770 2.967 1.00 0.00 C ATOM 0 H THR A 13 10.737 -2.555 0.242 1.00 0.00 H new ATOM 0 HA THR A 13 11.938 -5.259 0.578 1.00 0.00 H new ATOM 0 HB THR A 13 13.340 -3.803 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.845 -4.865 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.339 -2.520 3.842 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.752 -1.934 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.713 -2.968 3.276 1.00 0.00 H new ATOM 207 N LEU A 14 9.660 -5.968 1.303 1.00 0.00 N ATOM 208 CA LEU A 14 8.276 -6.388 1.666 1.00 0.00 C ATOM 209 C LEU A 14 8.041 -6.128 3.157 1.00 0.00 C ATOM 210 O LEU A 14 8.637 -6.769 4.005 1.00 0.00 O ATOM 211 CB LEU A 14 8.113 -7.885 1.379 1.00 0.00 C ATOM 212 CG LEU A 14 6.630 -8.238 1.297 1.00 0.00 C ATOM 213 CD1 LEU A 14 6.480 -9.695 0.858 1.00 0.00 C ATOM 214 CD2 LEU A 14 5.968 -8.051 2.668 1.00 0.00 C ATOM 0 H LEU A 14 10.254 -6.715 0.942 1.00 0.00 H new ATOM 0 HA LEU A 14 7.554 -5.820 1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.609 -8.141 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.592 -8.469 2.164 1.00 0.00 H new ATOM 0 HG LEU A 14 6.146 -7.581 0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.422 -9.950 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.941 -9.830 -0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.970 -10.346 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.910 -8.305 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.451 -8.702 3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.072 -7.013 2.984 1.00 0.00 H new ATOM 226 N ILE A 15 7.177 -5.196 3.482 1.00 0.00 N ATOM 227 CA ILE A 15 6.908 -4.907 4.920 1.00 0.00 C ATOM 228 C ILE A 15 5.560 -5.511 5.323 1.00 0.00 C ATOM 229 O ILE A 15 5.503 -6.423 6.128 1.00 0.00 O ATOM 230 CB ILE A 15 6.901 -3.392 5.154 1.00 0.00 C ATOM 231 CG1 ILE A 15 8.295 -2.828 4.863 1.00 0.00 C ATOM 232 CG2 ILE A 15 6.527 -3.091 6.610 1.00 0.00 C ATOM 233 CD1 ILE A 15 8.194 -1.329 4.593 1.00 0.00 C ATOM 0 H ILE A 15 6.652 -4.629 2.817 1.00 0.00 H new ATOM 0 HA ILE A 15 7.693 -5.353 5.531 1.00 0.00 H new ATOM 0 HB ILE A 15 6.169 -2.930 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.957 -3.012 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.731 -3.334 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.524 -2.013 6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.536 -3.492 6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.255 -3.554 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.187 -0.929 4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.547 -1.157 3.733 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.776 -0.829 5.467 1.00 0.00 H new ATOM 245 N LYS A 16 4.476 -5.011 4.776 1.00 0.00 N ATOM 246 CA LYS A 16 3.133 -5.557 5.133 1.00 0.00 C ATOM 247 C LYS A 16 2.114 -5.184 4.051 1.00 0.00 C ATOM 248 O LYS A 16 1.745 -4.031 3.902 1.00 0.00 O ATOM 249 CB LYS A 16 2.691 -4.977 6.483 1.00 0.00 C ATOM 250 CG LYS A 16 1.622 -5.878 7.105 1.00 0.00 C ATOM 251 CD LYS A 16 0.338 -5.074 7.321 1.00 0.00 C ATOM 252 CE LYS A 16 -0.688 -5.934 8.062 1.00 0.00 C ATOM 253 NZ LYS A 16 -1.597 -5.057 8.855 1.00 0.00 N ATOM 0 H LYS A 16 4.467 -4.249 4.098 1.00 0.00 H new ATOM 0 HA LYS A 16 3.192 -6.643 5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.547 -4.896 7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.297 -3.970 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.425 -6.729 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.977 -6.279 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.554 -4.172 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.067 -4.752 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.265 -6.524 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.179 -6.638 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.293 -5.643 9.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.040 -4.513 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.092 -4.402 8.216 1.00 0.00 H new ATOM 267 N ALA A 17 1.650 -6.158 3.303 1.00 0.00 N ATOM 268 CA ALA A 17 0.644 -5.880 2.236 1.00 0.00 C ATOM 269 C ALA A 17 -0.755 -5.969 2.841 1.00 0.00 C ATOM 270 O ALA A 17 -1.270 -7.040 3.112 1.00 0.00 O ATOM 271 CB ALA A 17 0.791 -6.899 1.103 1.00 0.00 C ATOM 0 H ALA A 17 1.928 -7.136 3.389 1.00 0.00 H new ATOM 0 HA ALA A 17 0.804 -4.882 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.054 -6.690 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.793 -6.830 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.631 -7.904 1.494 1.00 0.00 H new ATOM 277 N ILE A 18 -1.360 -4.835 3.062 1.00 0.00 N ATOM 278 CA ILE A 18 -2.723 -4.791 3.659 1.00 0.00 C ATOM 279 C ILE A 18 -3.770 -5.071 2.572 1.00 0.00 C ATOM 280 O ILE A 18 -4.530 -6.018 2.662 1.00 0.00 O ATOM 281 CB ILE A 18 -2.932 -3.392 4.250 1.00 0.00 C ATOM 282 CG1 ILE A 18 -2.228 -3.297 5.608 1.00 0.00 C ATOM 283 CG2 ILE A 18 -4.426 -3.109 4.431 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.097 -2.268 5.528 1.00 0.00 C ATOM 0 H ILE A 18 -0.959 -3.921 2.850 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.828 -5.546 4.439 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.512 -2.655 3.565 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.942 -3.009 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.828 -4.271 5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.559 -2.112 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.927 -3.165 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.857 -3.848 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.597 -2.201 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.379 -2.575 4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.509 -1.294 5.265 1.00 0.00 H new ATOM 296 N ASP A 19 -3.810 -4.249 1.550 1.00 0.00 N ATOM 297 CA ASP A 19 -4.798 -4.440 0.449 1.00 0.00 C ATOM 298 C ASP A 19 -4.241 -3.815 -0.840 1.00 0.00 C ATOM 299 O ASP A 19 -3.044 -3.638 -0.980 1.00 0.00 O ATOM 300 CB ASP A 19 -6.116 -3.758 0.840 1.00 0.00 C ATOM 301 CG ASP A 19 -7.268 -4.759 0.715 1.00 0.00 C ATOM 302 OD1 ASP A 19 -7.465 -5.523 1.645 1.00 0.00 O ATOM 303 OD2 ASP A 19 -7.932 -4.745 -0.310 1.00 0.00 O ATOM 0 H ASP A 19 -3.192 -3.446 1.434 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.978 -5.502 0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.055 -3.384 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.297 -2.897 0.196 1.00 0.00 H new ATOM 308 N GLY A 20 -5.096 -3.479 -1.780 1.00 0.00 N ATOM 309 CA GLY A 20 -4.623 -2.858 -3.058 1.00 0.00 C ATOM 310 C GLY A 20 -3.903 -1.542 -2.741 1.00 0.00 C ATOM 311 O GLY A 20 -2.701 -1.524 -2.565 1.00 0.00 O ATOM 0 H GLY A 20 -6.105 -3.610 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.950 -3.538 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.468 -2.674 -3.722 1.00 0.00 H new ATOM 315 N ASP A 21 -4.643 -0.452 -2.649 1.00 0.00 N ATOM 316 CA ASP A 21 -4.031 0.887 -2.322 1.00 0.00 C ATOM 317 C ASP A 21 -3.161 0.749 -1.085 1.00 0.00 C ATOM 318 O ASP A 21 -2.181 1.456 -0.927 1.00 0.00 O ATOM 319 CB ASP A 21 -5.107 1.944 -2.008 1.00 0.00 C ATOM 320 CG ASP A 21 -5.499 2.748 -3.260 1.00 0.00 C ATOM 321 OD1 ASP A 21 -5.186 2.323 -4.360 1.00 0.00 O ATOM 322 OD2 ASP A 21 -6.110 3.788 -3.090 1.00 0.00 O ATOM 0 H ASP A 21 -5.653 -0.433 -2.788 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.455 1.204 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.990 1.453 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.736 2.624 -1.241 1.00 0.00 H new ATOM 327 N THR A 22 -3.534 -0.134 -0.190 1.00 0.00 N ATOM 328 CA THR A 22 -2.754 -0.284 1.053 1.00 0.00 C ATOM 329 C THR A 22 -1.585 -1.274 0.865 1.00 0.00 C ATOM 330 O THR A 22 -1.688 -2.445 1.187 1.00 0.00 O ATOM 331 CB THR A 22 -3.659 -0.750 2.199 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.965 -0.201 2.049 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.056 -0.284 3.525 1.00 0.00 C ATOM 0 H THR A 22 -4.343 -0.749 -0.276 1.00 0.00 H new ATOM 0 HA THR A 22 -2.336 0.691 1.304 1.00 0.00 H new ATOM 0 HB THR A 22 -3.733 -1.837 2.184 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.535 -0.507 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.692 -0.610 4.348 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.061 -0.713 3.643 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.985 0.804 3.530 1.00 0.00 H new ATOM 341 N VAL A 23 -0.462 -0.797 0.375 1.00 0.00 N ATOM 342 CA VAL A 23 0.744 -1.679 0.196 1.00 0.00 C ATOM 343 C VAL A 23 1.961 -0.943 0.756 1.00 0.00 C ATOM 344 O VAL A 23 2.339 0.106 0.268 1.00 0.00 O ATOM 345 CB VAL A 23 0.964 -2.041 -1.283 1.00 0.00 C ATOM 346 CG1 VAL A 23 -0.157 -2.966 -1.758 1.00 0.00 C ATOM 347 CG2 VAL A 23 0.978 -0.782 -2.147 1.00 0.00 C ATOM 0 H VAL A 23 -0.327 0.173 0.089 1.00 0.00 H new ATOM 0 HA VAL A 23 0.589 -2.616 0.732 1.00 0.00 H new ATOM 0 HB VAL A 23 1.926 -2.545 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.001 -3.221 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.156 -3.877 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.117 -2.461 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.135 -1.058 -3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.025 -0.262 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.784 -0.125 -1.820 1.00 0.00 H new ATOM 357 N LYS A 24 2.556 -1.461 1.805 1.00 0.00 N ATOM 358 CA LYS A 24 3.709 -0.752 2.425 1.00 0.00 C ATOM 359 C LYS A 24 5.048 -1.376 2.025 1.00 0.00 C ATOM 360 O LYS A 24 5.223 -2.582 2.046 1.00 0.00 O ATOM 361 CB LYS A 24 3.566 -0.809 3.948 1.00 0.00 C ATOM 362 CG LYS A 24 3.634 0.605 4.518 1.00 0.00 C ATOM 363 CD LYS A 24 3.171 0.594 5.978 1.00 0.00 C ATOM 364 CE LYS A 24 4.372 0.814 6.902 1.00 0.00 C ATOM 365 NZ LYS A 24 3.976 0.530 8.311 1.00 0.00 N ATOM 0 H LYS A 24 2.292 -2.339 2.253 1.00 0.00 H new ATOM 0 HA LYS A 24 3.701 0.279 2.070 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.619 -1.276 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.358 -1.424 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.653 0.986 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.005 1.275 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.428 1.375 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.691 -0.357 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.195 0.163 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.729 1.840 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.792 0.680 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.204 1.168 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.656 -0.456 8.389 1.00 0.00 H new ATOM 379 N LEU A 25 6.002 -0.536 1.699 1.00 0.00 N ATOM 380 CA LEU A 25 7.366 -1.018 1.335 1.00 0.00 C ATOM 381 C LEU A 25 8.362 0.142 1.485 1.00 0.00 C ATOM 382 O LEU A 25 8.009 1.301 1.334 1.00 0.00 O ATOM 383 CB LEU A 25 7.389 -1.614 -0.098 1.00 0.00 C ATOM 384 CG LEU A 25 7.247 -0.546 -1.205 1.00 0.00 C ATOM 385 CD1 LEU A 25 6.053 0.366 -0.937 1.00 0.00 C ATOM 386 CD2 LEU A 25 8.523 0.294 -1.303 1.00 0.00 C ATOM 0 H LEU A 25 5.888 0.477 1.670 1.00 0.00 H new ATOM 0 HA LEU A 25 7.657 -1.823 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.323 -2.157 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.581 -2.339 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 25 7.084 -1.065 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.977 1.108 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.140 -0.229 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.188 0.871 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.407 1.042 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.705 0.792 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.367 -0.353 -1.541 1.00 0.00 H new ATOM 398 N MET A 26 9.598 -0.159 1.806 1.00 0.00 N ATOM 399 CA MET A 26 10.617 0.922 1.990 1.00 0.00 C ATOM 400 C MET A 26 11.239 1.287 0.637 1.00 0.00 C ATOM 401 O MET A 26 12.100 0.591 0.128 1.00 0.00 O ATOM 402 CB MET A 26 11.710 0.439 2.953 1.00 0.00 C ATOM 403 CG MET A 26 12.378 1.643 3.621 1.00 0.00 C ATOM 404 SD MET A 26 13.348 1.081 5.043 1.00 0.00 S ATOM 405 CE MET A 26 12.657 2.227 6.263 1.00 0.00 C ATOM 0 H MET A 26 9.945 -1.108 1.949 1.00 0.00 H new ATOM 0 HA MET A 26 10.134 1.805 2.408 1.00 0.00 H new ATOM 0 HB2 MET A 26 11.278 -0.216 3.710 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.453 -0.147 2.411 1.00 0.00 H new ATOM 0 HG2 MET A 26 13.022 2.157 2.908 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.622 2.360 3.943 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.376 2.379 7.068 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.441 3.182 5.784 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.737 1.811 6.673 1.00 0.00 H new ATOM 415 N TYR A 27 10.806 2.384 0.058 1.00 0.00 N ATOM 416 CA TYR A 27 11.363 2.821 -1.262 1.00 0.00 C ATOM 417 C TYR A 27 12.304 4.020 -1.056 1.00 0.00 C ATOM 418 O TYR A 27 13.242 4.212 -1.808 1.00 0.00 O ATOM 419 CB TYR A 27 10.213 3.189 -2.217 1.00 0.00 C ATOM 420 CG TYR A 27 9.719 4.601 -1.971 1.00 0.00 C ATOM 421 CD1 TYR A 27 8.939 4.892 -0.843 1.00 0.00 C ATOM 422 CD2 TYR A 27 10.029 5.616 -2.886 1.00 0.00 C ATOM 423 CE1 TYR A 27 8.473 6.195 -0.632 1.00 0.00 C ATOM 424 CE2 TYR A 27 9.560 6.918 -2.674 1.00 0.00 C ATOM 425 CZ TYR A 27 8.784 7.208 -1.548 1.00 0.00 C ATOM 426 OH TYR A 27 8.319 8.491 -1.342 1.00 0.00 O ATOM 0 H TYR A 27 10.088 2.997 0.445 1.00 0.00 H new ATOM 0 HA TYR A 27 11.933 2.004 -1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 27 10.551 3.095 -3.249 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.390 2.486 -2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.698 4.111 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.630 5.394 -3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.873 6.419 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.798 7.699 -3.381 1.00 0.00 H new ATOM 0 HH TYR A 27 8.530 8.772 -0.427 1.00 0.00 H new ATOM 436 N LYS A 28 12.062 4.818 -0.038 1.00 0.00 N ATOM 437 CA LYS A 28 12.935 5.996 0.232 1.00 0.00 C ATOM 438 C LYS A 28 13.063 6.193 1.749 1.00 0.00 C ATOM 439 O LYS A 28 12.959 7.298 2.258 1.00 0.00 O ATOM 440 CB LYS A 28 12.322 7.244 -0.420 1.00 0.00 C ATOM 441 CG LYS A 28 13.368 7.929 -1.304 1.00 0.00 C ATOM 442 CD LYS A 28 12.970 7.780 -2.775 1.00 0.00 C ATOM 443 CE LYS A 28 14.038 8.425 -3.662 1.00 0.00 C ATOM 444 NZ LYS A 28 14.765 7.367 -4.421 1.00 0.00 N ATOM 0 H LYS A 28 11.290 4.697 0.618 1.00 0.00 H new ATOM 0 HA LYS A 28 13.927 5.830 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.453 6.965 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.973 7.934 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.446 8.984 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.349 7.485 -1.135 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.861 6.725 -3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.003 8.252 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.574 9.129 -4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.738 8.994 -3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.490 7.807 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.220 6.712 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.093 6.843 -5.017 1.00 0.00 H new ATOM 458 N GLY A 29 13.281 5.120 2.475 1.00 0.00 N ATOM 459 CA GLY A 29 13.406 5.217 3.961 1.00 0.00 C ATOM 460 C GLY A 29 12.064 5.652 4.566 1.00 0.00 C ATOM 461 O GLY A 29 12.012 6.132 5.684 1.00 0.00 O ATOM 0 H GLY A 29 13.378 4.178 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.707 4.254 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.184 5.934 4.224 1.00 0.00 H new ATOM 465 N GLN A 30 10.980 5.487 3.836 1.00 0.00 N ATOM 466 CA GLN A 30 9.643 5.892 4.363 1.00 0.00 C ATOM 467 C GLN A 30 8.581 4.860 3.938 1.00 0.00 C ATOM 468 O GLN A 30 7.982 4.979 2.883 1.00 0.00 O ATOM 469 CB GLN A 30 9.273 7.289 3.832 1.00 0.00 C ATOM 470 CG GLN A 30 9.479 7.356 2.313 1.00 0.00 C ATOM 471 CD GLN A 30 9.750 8.804 1.891 1.00 0.00 C ATOM 472 OE1 GLN A 30 8.839 9.461 1.226 1.00 0.00 O flip ATOM 473 NE2 GLN A 30 10.805 9.342 2.166 1.00 0.00 N flip ATOM 0 H GLN A 30 10.970 5.088 2.897 1.00 0.00 H new ATOM 0 HA GLN A 30 9.681 5.930 5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.234 7.514 4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.886 8.045 4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.315 6.720 2.021 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.595 6.977 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.518 8.830 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.977 10.305 1.877 1.00 0.00 H new ATOM 482 N PRO A 31 8.382 3.870 4.785 1.00 0.00 N ATOM 483 CA PRO A 31 7.397 2.794 4.536 1.00 0.00 C ATOM 484 C PRO A 31 5.972 3.371 4.512 1.00 0.00 C ATOM 485 O PRO A 31 5.544 4.018 5.452 1.00 0.00 O ATOM 486 CB PRO A 31 7.568 1.827 5.717 1.00 0.00 C ATOM 487 CG PRO A 31 8.619 2.436 6.680 1.00 0.00 C ATOM 488 CD PRO A 31 9.127 3.742 6.053 1.00 0.00 C ATOM 0 HA PRO A 31 7.553 2.302 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.618 1.681 6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.894 0.848 5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.176 2.628 7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.444 1.740 6.835 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.941 4.593 6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.202 3.704 5.877 1.00 0.00 H new ATOM 496 N MET A 32 5.242 3.148 3.441 1.00 0.00 N ATOM 497 CA MET A 32 3.847 3.691 3.352 1.00 0.00 C ATOM 498 C MET A 32 3.037 2.941 2.289 1.00 0.00 C ATOM 499 O MET A 32 3.590 2.290 1.420 1.00 0.00 O ATOM 500 CB MET A 32 3.909 5.179 2.981 1.00 0.00 C ATOM 501 CG MET A 32 4.607 5.350 1.628 1.00 0.00 C ATOM 502 SD MET A 32 5.109 7.076 1.428 1.00 0.00 S ATOM 503 CE MET A 32 3.452 7.772 1.215 1.00 0.00 C ATOM 0 H MET A 32 5.552 2.615 2.628 1.00 0.00 H new ATOM 0 HA MET A 32 3.359 3.561 4.318 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.902 5.594 2.936 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.447 5.733 3.750 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.478 4.697 1.570 1.00 0.00 H new ATOM 0 HG3 MET A 32 3.936 5.059 0.820 1.00 0.00 H new ATOM 0 HE1 MET A 32 3.445 8.437 0.351 1.00 0.00 H new ATOM 0 HE2 MET A 32 2.736 6.965 1.058 1.00 0.00 H new ATOM 0 HE3 MET A 32 3.176 8.334 2.107 1.00 0.00 H new ATOM 513 N THR A 33 1.722 3.063 2.334 1.00 0.00 N ATOM 514 CA THR A 33 0.862 2.403 1.315 1.00 0.00 C ATOM 515 C THR A 33 1.296 2.969 -0.033 1.00 0.00 C ATOM 516 O THR A 33 1.806 4.077 -0.106 1.00 0.00 O ATOM 517 CB THR A 33 -0.626 2.673 1.587 1.00 0.00 C ATOM 518 OG1 THR A 33 -0.948 4.014 1.263 1.00 0.00 O ATOM 519 CG2 THR A 33 -0.945 2.415 3.063 1.00 0.00 C ATOM 0 H THR A 33 1.216 3.597 3.041 1.00 0.00 H new ATOM 0 HA THR A 33 0.978 1.319 1.339 1.00 0.00 H new ATOM 0 HB THR A 33 -1.219 2.002 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.101 4.090 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.002 2.609 3.246 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.719 1.377 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.342 3.075 3.686 1.00 0.00 H new ATOM 527 N PHE A 34 1.217 2.198 -1.073 1.00 0.00 N ATOM 528 CA PHE A 34 1.774 2.690 -2.356 1.00 0.00 C ATOM 529 C PHE A 34 0.788 2.706 -3.544 1.00 0.00 C ATOM 530 O PHE A 34 1.189 2.471 -4.670 1.00 0.00 O ATOM 531 CB PHE A 34 2.940 1.760 -2.632 1.00 0.00 C ATOM 532 CG PHE A 34 4.217 2.536 -2.683 1.00 0.00 C ATOM 533 CD1 PHE A 34 4.691 3.180 -1.534 1.00 0.00 C ATOM 534 CD2 PHE A 34 4.929 2.604 -3.876 1.00 0.00 C ATOM 535 CE1 PHE A 34 5.889 3.899 -1.589 1.00 0.00 C ATOM 536 CE2 PHE A 34 6.126 3.320 -3.936 1.00 0.00 C ATOM 537 CZ PHE A 34 6.607 3.969 -2.792 1.00 0.00 C ATOM 0 H PHE A 34 0.800 1.267 -1.094 1.00 0.00 H new ATOM 0 HA PHE A 34 2.050 3.740 -2.259 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.999 0.998 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.784 1.239 -3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.135 3.122 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.556 2.103 -4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 34 6.261 4.399 -0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.679 3.373 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.532 4.524 -2.836 1.00 0.00 H new ATOM 547 N ARG A 35 -0.466 3.039 -3.338 1.00 0.00 N ATOM 548 CA ARG A 35 -1.415 3.114 -4.510 1.00 0.00 C ATOM 549 C ARG A 35 -2.601 4.032 -4.198 1.00 0.00 C ATOM 550 O ARG A 35 -2.958 4.250 -3.053 1.00 0.00 O ATOM 551 CB ARG A 35 -1.962 1.729 -4.922 1.00 0.00 C ATOM 552 CG ARG A 35 -1.509 0.627 -3.961 1.00 0.00 C ATOM 553 CD ARG A 35 -0.753 -0.447 -4.729 1.00 0.00 C ATOM 554 NE ARG A 35 0.348 0.174 -5.499 1.00 0.00 N ATOM 555 CZ ARG A 35 1.390 -0.523 -5.812 1.00 0.00 C ATOM 556 NH1 ARG A 35 1.267 -1.797 -6.102 1.00 0.00 N ATOM 557 NH2 ARG A 35 2.558 0.060 -5.824 1.00 0.00 N ATOM 0 H ARG A 35 -0.873 3.259 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.834 3.517 -5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.051 1.762 -4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.626 1.491 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.871 1.049 -3.184 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.373 0.190 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.353 -1.189 -4.038 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.431 -0.971 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 35 0.284 1.152 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.348 -2.238 -6.081 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.091 -2.346 -6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.637 1.049 -5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.392 -0.474 -6.069 1.00 0.00 H new ATOM 571 N LEU A 36 -3.212 4.564 -5.234 1.00 0.00 N ATOM 572 CA LEU A 36 -4.389 5.472 -5.061 1.00 0.00 C ATOM 573 C LEU A 36 -5.558 4.993 -5.944 1.00 0.00 C ATOM 574 O LEU A 36 -6.711 5.149 -5.588 1.00 0.00 O ATOM 575 CB LEU A 36 -3.997 6.900 -5.466 1.00 0.00 C ATOM 576 CG LEU A 36 -4.534 7.910 -4.441 1.00 0.00 C ATOM 577 CD1 LEU A 36 -6.063 7.839 -4.387 1.00 0.00 C ATOM 578 CD2 LEU A 36 -3.960 7.596 -3.057 1.00 0.00 C ATOM 0 H LEU A 36 -2.939 4.404 -6.204 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.700 5.458 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.912 6.982 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.396 7.128 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.232 8.913 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.435 8.558 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.473 8.073 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.371 6.835 -4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.343 8.315 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.255 6.589 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.872 7.660 -3.091 1.00 0.00 H new ATOM 590 N LEU A 37 -5.269 4.419 -7.095 1.00 0.00 N ATOM 591 CA LEU A 37 -6.359 3.941 -8.007 1.00 0.00 C ATOM 592 C LEU A 37 -6.722 2.471 -7.716 1.00 0.00 C ATOM 593 O LEU A 37 -7.775 2.006 -8.114 1.00 0.00 O ATOM 594 CB LEU A 37 -5.901 4.079 -9.468 1.00 0.00 C ATOM 595 CG LEU A 37 -4.659 3.213 -9.721 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.857 2.396 -11.000 1.00 0.00 C ATOM 597 CD2 LEU A 37 -3.430 4.113 -9.880 1.00 0.00 C ATOM 0 H LEU A 37 -4.322 4.262 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.245 4.552 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.706 3.777 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.676 5.122 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.511 2.540 -8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.975 1.781 -11.179 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.731 1.754 -10.890 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.007 3.070 -11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.549 3.497 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.579 4.787 -10.723 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.286 4.696 -8.970 1.00 0.00 H new ATOM 609 N LEU A 38 -5.865 1.738 -7.036 1.00 0.00 N ATOM 610 CA LEU A 38 -6.166 0.300 -6.731 1.00 0.00 C ATOM 611 C LEU A 38 -7.359 0.211 -5.754 1.00 0.00 C ATOM 612 O LEU A 38 -8.489 0.043 -6.176 1.00 0.00 O ATOM 613 CB LEU A 38 -4.912 -0.365 -6.126 1.00 0.00 C ATOM 614 CG LEU A 38 -4.833 -1.842 -6.541 1.00 0.00 C ATOM 615 CD1 LEU A 38 -6.127 -2.564 -6.160 1.00 0.00 C ATOM 616 CD2 LEU A 38 -4.616 -1.946 -8.055 1.00 0.00 C ATOM 0 H LEU A 38 -4.971 2.075 -6.680 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.435 -0.224 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.017 0.161 -6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.941 -0.288 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.996 -2.309 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.061 -3.610 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.274 -2.503 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.969 -2.094 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.561 -2.996 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.447 -1.470 -8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.685 -1.446 -8.324 1.00 0.00 H new ATOM 628 N VAL A 39 -7.124 0.338 -4.465 1.00 0.00 N ATOM 629 CA VAL A 39 -8.259 0.277 -3.477 1.00 0.00 C ATOM 630 C VAL A 39 -8.927 1.661 -3.411 1.00 0.00 C ATOM 631 O VAL A 39 -8.594 2.491 -2.583 1.00 0.00 O ATOM 632 CB VAL A 39 -7.773 -0.185 -2.073 1.00 0.00 C ATOM 633 CG1 VAL A 39 -8.777 0.244 -0.998 1.00 0.00 C ATOM 634 CG2 VAL A 39 -7.678 -1.712 -2.063 1.00 0.00 C ATOM 0 H VAL A 39 -6.201 0.481 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.986 -0.464 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.803 0.266 -1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.426 -0.085 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.873 1.330 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.747 -0.207 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.338 -2.049 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.659 -2.139 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.970 -2.037 -2.825 1.00 0.00 H new ATOM 644 N ASP A 40 -9.862 1.910 -4.298 1.00 0.00 N ATOM 645 CA ASP A 40 -10.564 3.231 -4.326 1.00 0.00 C ATOM 646 C ASP A 40 -11.903 3.089 -5.075 1.00 0.00 C ATOM 647 O ASP A 40 -12.352 4.004 -5.746 1.00 0.00 O ATOM 648 CB ASP A 40 -9.668 4.256 -5.041 1.00 0.00 C ATOM 649 CG ASP A 40 -9.404 5.455 -4.122 1.00 0.00 C ATOM 650 OD1 ASP A 40 -8.639 5.305 -3.184 1.00 0.00 O ATOM 651 OD2 ASP A 40 -9.966 6.507 -4.378 1.00 0.00 O ATOM 0 H ASP A 40 -10.170 1.247 -5.010 1.00 0.00 H new ATOM 0 HA ASP A 40 -10.763 3.568 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.724 3.790 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.147 4.591 -5.961 1.00 0.00 H new ATOM 656 N THR A 41 -12.540 1.943 -4.968 1.00 0.00 N ATOM 657 CA THR A 41 -13.839 1.719 -5.670 1.00 0.00 C ATOM 658 C THR A 41 -15.006 2.327 -4.863 1.00 0.00 C ATOM 659 O THR A 41 -15.754 3.121 -5.402 1.00 0.00 O ATOM 660 CB THR A 41 -14.042 0.206 -5.871 1.00 0.00 C ATOM 661 OG1 THR A 41 -13.373 -0.202 -7.056 1.00 0.00 O ATOM 662 CG2 THR A 41 -15.531 -0.121 -5.995 1.00 0.00 C ATOM 0 H THR A 41 -12.209 1.150 -4.419 1.00 0.00 H new ATOM 0 HA THR A 41 -13.819 2.213 -6.641 1.00 0.00 H new ATOM 0 HB THR A 41 -13.635 -0.323 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.885 -1.035 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.657 -1.194 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.048 0.189 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.950 0.410 -6.850 1.00 0.00 H new ATOM 670 N PRO A 42 -15.141 1.937 -3.603 1.00 0.00 N ATOM 671 CA PRO A 42 -16.230 2.445 -2.736 1.00 0.00 C ATOM 672 C PRO A 42 -16.106 3.967 -2.545 1.00 0.00 C ATOM 673 O PRO A 42 -15.432 4.438 -1.646 1.00 0.00 O ATOM 674 CB PRO A 42 -16.047 1.706 -1.399 1.00 0.00 C ATOM 675 CG PRO A 42 -14.785 0.816 -1.521 1.00 0.00 C ATOM 676 CD PRO A 42 -14.236 0.972 -2.947 1.00 0.00 C ATOM 0 HA PRO A 42 -17.216 2.270 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.935 2.418 -0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -16.924 1.098 -1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.035 1.114 -0.788 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -15.032 -0.226 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.209 1.338 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.229 0.018 -3.473 1.00 0.00 H new ATOM 684 N GLU A 43 -16.755 4.732 -3.396 1.00 0.00 N ATOM 685 CA GLU A 43 -16.689 6.226 -3.287 1.00 0.00 C ATOM 686 C GLU A 43 -18.008 6.843 -3.784 1.00 0.00 C ATOM 687 O GLU A 43 -18.025 7.930 -4.338 1.00 0.00 O ATOM 688 CB GLU A 43 -15.528 6.750 -4.144 1.00 0.00 C ATOM 689 CG GLU A 43 -14.189 6.321 -3.535 1.00 0.00 C ATOM 690 CD GLU A 43 -13.053 7.124 -4.178 1.00 0.00 C ATOM 691 OE1 GLU A 43 -12.753 6.871 -5.335 1.00 0.00 O ATOM 692 OE2 GLU A 43 -12.501 7.976 -3.502 1.00 0.00 O ATOM 0 H GLU A 43 -17.329 4.383 -4.163 1.00 0.00 H new ATOM 0 HA GLU A 43 -16.531 6.504 -2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -15.614 6.366 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.575 7.837 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.199 6.484 -2.457 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.030 5.255 -3.695 1.00 0.00 H new ATOM 699 N THR A 44 -19.111 6.160 -3.587 1.00 0.00 N ATOM 700 CA THR A 44 -20.435 6.696 -4.047 1.00 0.00 C ATOM 701 C THR A 44 -21.546 6.249 -3.083 1.00 0.00 C ATOM 702 O THR A 44 -21.293 5.591 -2.086 1.00 0.00 O ATOM 703 CB THR A 44 -20.745 6.165 -5.459 1.00 0.00 C ATOM 704 OG1 THR A 44 -20.658 4.746 -5.468 1.00 0.00 O ATOM 705 CG2 THR A 44 -19.747 6.743 -6.467 1.00 0.00 C ATOM 0 H THR A 44 -19.153 5.251 -3.126 1.00 0.00 H new ATOM 0 HA THR A 44 -20.389 7.785 -4.065 1.00 0.00 H new ATOM 0 HB THR A 44 -21.754 6.470 -5.738 1.00 0.00 H new ATOM 0 HG1 THR A 44 -20.858 4.412 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 44 -19.974 6.362 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 44 -19.820 7.831 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.736 6.448 -6.187 1.00 0.00 H new ATOM 713 N LYS A 45 -22.777 6.594 -3.383 1.00 0.00 N ATOM 714 CA LYS A 45 -23.917 6.189 -2.506 1.00 0.00 C ATOM 715 C LYS A 45 -24.279 4.730 -2.805 1.00 0.00 C ATOM 716 O LYS A 45 -24.455 3.929 -1.905 1.00 0.00 O ATOM 717 CB LYS A 45 -25.128 7.084 -2.791 1.00 0.00 C ATOM 718 CG LYS A 45 -25.069 8.331 -1.904 1.00 0.00 C ATOM 719 CD LYS A 45 -26.339 8.416 -1.054 1.00 0.00 C ATOM 720 CE LYS A 45 -26.235 7.445 0.126 1.00 0.00 C ATOM 721 NZ LYS A 45 -27.483 6.636 0.219 1.00 0.00 N ATOM 0 H LYS A 45 -23.039 7.142 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.632 6.294 -1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.139 7.374 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -26.050 6.535 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -24.190 8.291 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -24.971 9.224 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -26.477 9.434 -0.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -27.212 8.174 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -25.374 6.790 -0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -26.078 7.998 1.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -27.411 5.977 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -28.296 7.268 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -27.614 6.097 -0.661 1.00 0.00 H new ATOM 735 N HIS A 46 -24.377 4.387 -4.068 1.00 0.00 N ATOM 736 CA HIS A 46 -24.713 2.985 -4.458 1.00 0.00 C ATOM 737 C HIS A 46 -23.674 2.500 -5.483 1.00 0.00 C ATOM 738 O HIS A 46 -23.887 2.614 -6.678 1.00 0.00 O ATOM 739 CB HIS A 46 -26.121 2.944 -5.070 1.00 0.00 C ATOM 740 CG HIS A 46 -27.138 3.352 -4.037 1.00 0.00 C ATOM 741 ND1 HIS A 46 -27.863 2.423 -3.305 1.00 0.00 N ATOM 742 CD2 HIS A 46 -27.563 4.584 -3.604 1.00 0.00 C ATOM 743 CE1 HIS A 46 -28.677 3.105 -2.478 1.00 0.00 C ATOM 744 NE2 HIS A 46 -28.534 4.425 -2.620 1.00 0.00 N ATOM 0 H HIS A 46 -24.237 5.026 -4.850 1.00 0.00 H new ATOM 0 HA HIS A 46 -24.695 2.335 -3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -26.174 3.612 -5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -26.341 1.940 -5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -27.199 5.532 -3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -29.362 2.641 -1.784 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.030 5.159 -2.115 1.00 0.00 H new ATOM 752 N PRO A 47 -22.566 1.992 -4.976 1.00 0.00 N ATOM 753 CA PRO A 47 -21.449 1.492 -5.814 1.00 0.00 C ATOM 754 C PRO A 47 -21.850 0.209 -6.576 1.00 0.00 C ATOM 755 O PRO A 47 -21.233 -0.830 -6.425 1.00 0.00 O ATOM 756 CB PRO A 47 -20.317 1.200 -4.812 1.00 0.00 C ATOM 757 CG PRO A 47 -20.887 1.398 -3.385 1.00 0.00 C ATOM 758 CD PRO A 47 -22.334 1.893 -3.522 1.00 0.00 C ATOM 0 HA PRO A 47 -21.156 2.213 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -19.948 0.182 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.473 1.869 -4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -20.855 0.462 -2.827 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.287 2.120 -2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -23.034 1.200 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.469 2.858 -3.034 1.00 0.00 H new ATOM 766 N LYS A 48 -22.872 0.288 -7.403 1.00 0.00 N ATOM 767 CA LYS A 48 -23.328 -0.901 -8.196 1.00 0.00 C ATOM 768 C LYS A 48 -23.495 -2.135 -7.289 1.00 0.00 C ATOM 769 O LYS A 48 -23.261 -3.258 -7.706 1.00 0.00 O ATOM 770 CB LYS A 48 -22.298 -1.198 -9.296 1.00 0.00 C ATOM 771 CG LYS A 48 -22.407 -0.141 -10.398 1.00 0.00 C ATOM 772 CD LYS A 48 -21.899 -0.724 -11.718 1.00 0.00 C ATOM 773 CE LYS A 48 -22.264 0.217 -12.869 1.00 0.00 C ATOM 774 NZ LYS A 48 -22.088 -0.494 -14.169 1.00 0.00 N ATOM 0 H LYS A 48 -23.414 1.137 -7.562 1.00 0.00 H new ATOM 0 HA LYS A 48 -24.296 -0.676 -8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -21.292 -1.198 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.470 -2.191 -9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -23.443 0.182 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -21.825 0.740 -10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -20.818 -0.860 -11.675 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -22.338 -1.707 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -23.295 0.554 -12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -21.633 1.106 -12.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -22.336 0.145 -14.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.098 -0.795 -14.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -22.708 -1.329 -14.195 1.00 0.00 H new ATOM 788 N LYS A 49 -23.910 -1.933 -6.055 1.00 0.00 N ATOM 789 CA LYS A 49 -24.106 -3.080 -5.109 1.00 0.00 C ATOM 790 C LYS A 49 -22.835 -3.951 -5.070 1.00 0.00 C ATOM 791 O LYS A 49 -22.865 -5.131 -5.380 1.00 0.00 O ATOM 792 CB LYS A 49 -25.311 -3.915 -5.568 1.00 0.00 C ATOM 793 CG LYS A 49 -25.813 -4.781 -4.408 1.00 0.00 C ATOM 794 CD LYS A 49 -26.754 -3.959 -3.522 1.00 0.00 C ATOM 795 CE LYS A 49 -26.735 -4.522 -2.098 1.00 0.00 C ATOM 796 NZ LYS A 49 -27.313 -3.519 -1.157 1.00 0.00 N ATOM 0 H LYS A 49 -24.122 -1.016 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.296 -2.699 -4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -26.109 -3.259 -5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -25.028 -4.547 -6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.334 -5.657 -4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -24.970 -5.144 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -26.444 -2.914 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -27.767 -3.989 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -27.307 -5.449 -2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -25.713 -4.764 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -27.300 -3.902 -0.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -26.749 -2.646 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -28.294 -3.309 -1.433 1.00 0.00 H new ATOM 810 N GLY A 50 -21.718 -3.374 -4.691 1.00 0.00 N ATOM 811 CA GLY A 50 -20.442 -4.156 -4.630 1.00 0.00 C ATOM 812 C GLY A 50 -19.246 -3.203 -4.537 1.00 0.00 C ATOM 813 O GLY A 50 -19.159 -2.228 -5.263 1.00 0.00 O ATOM 0 H GLY A 50 -21.636 -2.394 -4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -20.455 -4.822 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -20.349 -4.784 -5.516 1.00 0.00 H new ATOM 817 N VAL A 51 -18.321 -3.484 -3.648 1.00 0.00 N ATOM 818 CA VAL A 51 -17.120 -2.610 -3.492 1.00 0.00 C ATOM 819 C VAL A 51 -15.853 -3.483 -3.434 1.00 0.00 C ATOM 820 O VAL A 51 -15.857 -4.626 -3.859 1.00 0.00 O ATOM 821 CB VAL A 51 -17.257 -1.786 -2.200 1.00 0.00 C ATOM 822 CG1 VAL A 51 -18.463 -0.851 -2.312 1.00 0.00 C ATOM 823 CG2 VAL A 51 -17.453 -2.724 -1.001 1.00 0.00 C ATOM 0 H VAL A 51 -18.350 -4.288 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 51 -17.043 -1.932 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 51 -16.350 -1.199 -2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -18.558 -0.268 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -18.324 -0.177 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -19.368 -1.440 -2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -17.549 -2.134 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -18.356 -3.317 -1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -16.593 -3.388 -0.914 1.00 0.00 H new ATOM 833 N GLU A 52 -14.773 -2.953 -2.910 1.00 0.00 N ATOM 834 CA GLU A 52 -13.504 -3.741 -2.818 1.00 0.00 C ATOM 835 C GLU A 52 -13.613 -4.749 -1.667 1.00 0.00 C ATOM 836 O GLU A 52 -13.839 -4.381 -0.528 1.00 0.00 O ATOM 837 CB GLU A 52 -12.327 -2.792 -2.560 1.00 0.00 C ATOM 838 CG GLU A 52 -11.244 -3.010 -3.623 1.00 0.00 C ATOM 839 CD GLU A 52 -11.552 -2.156 -4.859 1.00 0.00 C ATOM 840 OE1 GLU A 52 -11.122 -1.013 -4.889 1.00 0.00 O ATOM 841 OE2 GLU A 52 -12.211 -2.659 -5.753 1.00 0.00 O ATOM 0 H GLU A 52 -14.717 -2.004 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.338 -4.274 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.670 -1.758 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.916 -2.969 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.267 -2.744 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.199 -4.063 -3.899 1.00 0.00 H new ATOM 848 N LYS A 53 -13.456 -6.019 -1.962 1.00 0.00 N ATOM 849 CA LYS A 53 -13.549 -7.064 -0.897 1.00 0.00 C ATOM 850 C LYS A 53 -12.143 -7.573 -0.559 1.00 0.00 C ATOM 851 O LYS A 53 -11.727 -8.622 -1.022 1.00 0.00 O ATOM 852 CB LYS A 53 -14.424 -8.222 -1.394 1.00 0.00 C ATOM 853 CG LYS A 53 -15.900 -7.884 -1.166 1.00 0.00 C ATOM 854 CD LYS A 53 -16.769 -9.068 -1.599 1.00 0.00 C ATOM 855 CE LYS A 53 -18.113 -9.011 -0.868 1.00 0.00 C ATOM 856 NZ LYS A 53 -19.048 -8.115 -1.607 1.00 0.00 N ATOM 0 H LYS A 53 -13.267 -6.376 -2.899 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.999 -6.638 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -14.241 -8.401 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.165 -9.140 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -16.074 -7.658 -0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.172 -6.994 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.928 -9.041 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.261 -10.006 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.538 -10.012 -0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.970 -8.645 0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.960 -8.078 -1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.643 -7.158 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.194 -8.483 -2.569 1.00 0.00 H new ATOM 870 N TYR A 54 -11.414 -6.823 0.250 1.00 0.00 N ATOM 871 CA TYR A 54 -10.016 -7.209 0.660 1.00 0.00 C ATOM 872 C TYR A 54 -9.287 -7.922 -0.495 1.00 0.00 C ATOM 873 O TYR A 54 -8.735 -8.996 -0.332 1.00 0.00 O ATOM 874 CB TYR A 54 -10.055 -8.110 1.914 1.00 0.00 C ATOM 875 CG TYR A 54 -11.117 -9.183 1.778 1.00 0.00 C ATOM 876 CD1 TYR A 54 -12.427 -8.931 2.206 1.00 0.00 C ATOM 877 CD2 TYR A 54 -10.789 -10.429 1.228 1.00 0.00 C ATOM 878 CE1 TYR A 54 -13.407 -9.922 2.081 1.00 0.00 C ATOM 879 CE2 TYR A 54 -11.770 -11.419 1.103 1.00 0.00 C ATOM 880 CZ TYR A 54 -13.079 -11.165 1.529 1.00 0.00 C ATOM 881 OH TYR A 54 -14.047 -12.142 1.406 1.00 0.00 O ATOM 0 H TYR A 54 -11.738 -5.942 0.650 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.464 -6.300 0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.080 -8.575 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.257 -7.503 2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.681 -7.972 2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.779 -10.626 0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.417 -9.727 2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.517 -12.379 0.678 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.653 -12.944 1.003 1.00 0.00 H new ATOM 891 N GLY A 55 -9.293 -7.327 -1.665 1.00 0.00 N ATOM 892 CA GLY A 55 -8.619 -7.957 -2.841 1.00 0.00 C ATOM 893 C GLY A 55 -9.564 -8.994 -3.462 1.00 0.00 C ATOM 894 O GLY A 55 -9.426 -10.177 -3.210 1.00 0.00 O ATOM 0 H GLY A 55 -9.738 -6.429 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.358 -7.197 -3.577 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.689 -8.433 -2.531 1.00 0.00 H new ATOM 898 N PRO A 56 -10.503 -8.512 -4.250 1.00 0.00 N ATOM 899 CA PRO A 56 -11.500 -9.372 -4.925 1.00 0.00 C ATOM 900 C PRO A 56 -10.808 -10.397 -5.840 1.00 0.00 C ATOM 901 O PRO A 56 -10.782 -11.578 -5.544 1.00 0.00 O ATOM 902 CB PRO A 56 -12.364 -8.402 -5.745 1.00 0.00 C ATOM 903 CG PRO A 56 -11.837 -6.967 -5.491 1.00 0.00 C ATOM 904 CD PRO A 56 -10.646 -7.070 -4.528 1.00 0.00 C ATOM 0 HA PRO A 56 -12.093 -9.949 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.310 -8.646 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.411 -8.482 -5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.532 -6.500 -6.428 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.621 -6.342 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.740 -6.663 -4.976 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.829 -6.508 -3.612 1.00 0.00 H new ATOM 912 N GLU A 57 -10.252 -9.952 -6.945 1.00 0.00 N ATOM 913 CA GLU A 57 -9.561 -10.893 -7.884 1.00 0.00 C ATOM 914 C GLU A 57 -8.427 -10.150 -8.600 1.00 0.00 C ATOM 915 O GLU A 57 -7.264 -10.406 -8.348 1.00 0.00 O ATOM 916 CB GLU A 57 -10.556 -11.461 -8.916 1.00 0.00 C ATOM 917 CG GLU A 57 -11.661 -10.441 -9.232 1.00 0.00 C ATOM 918 CD GLU A 57 -13.020 -10.999 -8.795 1.00 0.00 C ATOM 919 OE1 GLU A 57 -13.375 -10.809 -7.642 1.00 0.00 O ATOM 920 OE2 GLU A 57 -13.683 -11.605 -9.621 1.00 0.00 O ATOM 0 H GLU A 57 -10.248 -8.974 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.150 -11.726 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.026 -11.724 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.002 -12.378 -8.531 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.460 -9.502 -8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.673 -10.223 -10.300 1.00 0.00 H new ATOM 927 N ALA A 58 -8.752 -9.220 -9.476 1.00 0.00 N ATOM 928 CA ALA A 58 -7.689 -8.449 -10.194 1.00 0.00 C ATOM 929 C ALA A 58 -6.878 -7.652 -9.166 1.00 0.00 C ATOM 930 O ALA A 58 -5.661 -7.636 -9.203 1.00 0.00 O ATOM 931 CB ALA A 58 -8.335 -7.488 -11.197 1.00 0.00 C ATOM 0 H ALA A 58 -9.709 -8.965 -9.721 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.035 -9.135 -10.732 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.558 -6.929 -11.718 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.920 -8.056 -11.921 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.988 -6.794 -10.667 1.00 0.00 H new ATOM 937 N SER A 59 -7.553 -7.012 -8.238 1.00 0.00 N ATOM 938 CA SER A 59 -6.843 -6.229 -7.182 1.00 0.00 C ATOM 939 C SER A 59 -6.144 -7.202 -6.223 1.00 0.00 C ATOM 940 O SER A 59 -5.079 -6.914 -5.709 1.00 0.00 O ATOM 941 CB SER A 59 -7.855 -5.383 -6.405 1.00 0.00 C ATOM 942 OG SER A 59 -8.341 -4.342 -7.243 1.00 0.00 O ATOM 0 H SER A 59 -8.571 -7.000 -8.169 1.00 0.00 H new ATOM 0 HA SER A 59 -6.105 -5.573 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.682 -6.006 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.387 -4.961 -5.516 1.00 0.00 H new ATOM 0 HG SER A 59 -8.990 -3.800 -6.748 1.00 0.00 H new ATOM 948 N ALA A 60 -6.737 -8.355 -5.987 1.00 0.00 N ATOM 949 CA ALA A 60 -6.116 -9.364 -5.071 1.00 0.00 C ATOM 950 C ALA A 60 -4.769 -9.831 -5.643 1.00 0.00 C ATOM 951 O ALA A 60 -3.807 -9.992 -4.915 1.00 0.00 O ATOM 952 CB ALA A 60 -7.047 -10.571 -4.930 1.00 0.00 C ATOM 0 H ALA A 60 -7.629 -8.638 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.956 -8.906 -4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.594 -11.304 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.003 -10.247 -4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.209 -11.022 -5.909 1.00 0.00 H new ATOM 958 N PHE A 61 -4.697 -10.045 -6.940 1.00 0.00 N ATOM 959 CA PHE A 61 -3.414 -10.501 -7.570 1.00 0.00 C ATOM 960 C PHE A 61 -2.364 -9.383 -7.479 1.00 0.00 C ATOM 961 O PHE A 61 -1.178 -9.643 -7.405 1.00 0.00 O ATOM 962 CB PHE A 61 -3.656 -10.860 -9.043 1.00 0.00 C ATOM 963 CG PHE A 61 -4.680 -11.973 -9.152 1.00 0.00 C ATOM 964 CD1 PHE A 61 -4.700 -13.012 -8.208 1.00 0.00 C ATOM 965 CD2 PHE A 61 -5.609 -11.966 -10.199 1.00 0.00 C ATOM 966 CE1 PHE A 61 -5.648 -14.037 -8.315 1.00 0.00 C ATOM 967 CE2 PHE A 61 -6.557 -12.991 -10.303 1.00 0.00 C ATOM 968 CZ PHE A 61 -6.576 -14.026 -9.361 1.00 0.00 C ATOM 0 H PHE A 61 -5.474 -9.923 -7.589 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.050 -11.381 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.005 -9.981 -9.586 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.720 -11.171 -9.507 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.984 -13.021 -7.399 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.594 -11.169 -10.928 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.662 -14.837 -7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.274 -12.983 -11.111 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.308 -14.816 -9.442 1.00 0.00 H new ATOM 978 N THR A 62 -2.794 -8.144 -7.470 1.00 0.00 N ATOM 979 CA THR A 62 -1.830 -7.003 -7.360 1.00 0.00 C ATOM 980 C THR A 62 -1.449 -6.820 -5.883 1.00 0.00 C ATOM 981 O THR A 62 -0.344 -6.426 -5.562 1.00 0.00 O ATOM 982 CB THR A 62 -2.478 -5.717 -7.902 1.00 0.00 C ATOM 983 OG1 THR A 62 -2.780 -5.886 -9.280 1.00 0.00 O ATOM 984 CG2 THR A 62 -1.518 -4.536 -7.733 1.00 0.00 C ATOM 0 H THR A 62 -3.775 -7.873 -7.534 1.00 0.00 H new ATOM 0 HA THR A 62 -0.936 -7.214 -7.946 1.00 0.00 H new ATOM 0 HB THR A 62 -3.394 -5.516 -7.346 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.194 -5.068 -9.627 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.985 -3.630 -8.119 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.287 -4.403 -6.676 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.598 -4.733 -8.283 1.00 0.00 H new ATOM 992 N LYS A 63 -2.365 -7.113 -4.989 1.00 0.00 N ATOM 993 CA LYS A 63 -2.087 -6.975 -3.528 1.00 0.00 C ATOM 994 C LYS A 63 -1.298 -8.196 -3.020 1.00 0.00 C ATOM 995 O LYS A 63 -0.656 -8.131 -1.986 1.00 0.00 O ATOM 996 CB LYS A 63 -3.420 -6.873 -2.777 1.00 0.00 C ATOM 997 CG LYS A 63 -3.176 -6.863 -1.264 1.00 0.00 C ATOM 998 CD LYS A 63 -3.594 -8.209 -0.667 1.00 0.00 C ATOM 999 CE LYS A 63 -5.100 -8.200 -0.380 1.00 0.00 C ATOM 1000 NZ LYS A 63 -5.732 -9.403 -0.993 1.00 0.00 N ATOM 0 H LYS A 63 -3.303 -7.445 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.492 -6.078 -3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.944 -5.965 -3.074 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.061 -7.713 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.123 -6.673 -1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.743 -6.056 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.350 -9.016 -1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.040 -8.398 0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.276 -8.193 0.696 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.552 -7.294 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.758 -9.379 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.547 -9.409 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.332 -10.262 -0.564 1.00 0.00 H new ATOM 1014 N LYS A 64 -1.334 -9.303 -3.732 1.00 0.00 N ATOM 1015 CA LYS A 64 -0.591 -10.505 -3.284 1.00 0.00 C ATOM 1016 C LYS A 64 0.881 -10.360 -3.675 1.00 0.00 C ATOM 1017 O LYS A 64 1.751 -10.833 -2.972 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.208 -11.752 -3.930 1.00 0.00 C ATOM 1019 CG LYS A 64 -0.802 -11.834 -5.398 1.00 0.00 C ATOM 1020 CD LYS A 64 0.581 -12.457 -5.512 1.00 0.00 C ATOM 1021 CE LYS A 64 0.497 -13.786 -6.267 1.00 0.00 C ATOM 1022 NZ LYS A 64 1.835 -14.443 -6.268 1.00 0.00 N ATOM 0 H LYS A 64 -1.850 -9.415 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.656 -10.608 -2.201 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.877 -12.647 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.294 -11.716 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.527 -12.429 -5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.801 -10.838 -5.841 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.254 -11.776 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.998 -12.620 -4.518 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.239 -14.438 -5.797 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.164 -13.615 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.165 -14.557 -7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.511 -13.854 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.763 -15.377 -5.816 1.00 0.00 H new ATOM 1036 N MET A 65 1.169 -9.694 -4.780 1.00 0.00 N ATOM 1037 CA MET A 65 2.593 -9.504 -5.198 1.00 0.00 C ATOM 1038 C MET A 65 3.340 -8.770 -4.076 1.00 0.00 C ATOM 1039 O MET A 65 4.530 -8.933 -3.902 1.00 0.00 O ATOM 1040 CB MET A 65 2.653 -8.712 -6.515 1.00 0.00 C ATOM 1041 CG MET A 65 2.495 -7.211 -6.257 1.00 0.00 C ATOM 1042 SD MET A 65 1.795 -6.412 -7.727 1.00 0.00 S ATOM 1043 CE MET A 65 2.886 -7.169 -8.959 1.00 0.00 C ATOM 0 H MET A 65 0.477 -9.278 -5.403 1.00 0.00 H new ATOM 0 HA MET A 65 3.068 -10.470 -5.370 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.603 -8.901 -7.015 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.866 -9.055 -7.186 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.846 -7.046 -5.397 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.462 -6.769 -6.016 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.795 -6.633 -9.904 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.918 -7.119 -8.611 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.602 -8.211 -9.105 1.00 0.00 H new ATOM 1053 N LEU A 66 2.626 -7.997 -3.291 1.00 0.00 N ATOM 1054 CA LEU A 66 3.251 -7.276 -2.145 1.00 0.00 C ATOM 1055 C LEU A 66 3.390 -8.253 -0.965 1.00 0.00 C ATOM 1056 O LEU A 66 4.171 -8.034 -0.062 1.00 0.00 O ATOM 1057 CB LEU A 66 2.331 -6.121 -1.709 1.00 0.00 C ATOM 1058 CG LEU A 66 2.743 -4.794 -2.363 1.00 0.00 C ATOM 1059 CD1 LEU A 66 4.035 -4.275 -1.725 1.00 0.00 C ATOM 1060 CD2 LEU A 66 2.948 -4.986 -3.867 1.00 0.00 C ATOM 0 H LEU A 66 1.625 -7.836 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 66 4.226 -6.888 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.301 -6.355 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.363 -6.019 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 66 1.948 -4.065 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.320 -3.334 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.875 -4.115 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.830 -5.007 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.240 -4.038 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.732 -5.725 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.019 -5.333 -4.320 1.00 0.00 H new ATOM 1072 N GLU A 67 2.614 -9.319 -0.963 1.00 0.00 N ATOM 1073 CA GLU A 67 2.666 -10.313 0.151 1.00 0.00 C ATOM 1074 C GLU A 67 3.774 -11.349 -0.069 1.00 0.00 C ATOM 1075 O GLU A 67 4.224 -11.977 0.873 1.00 0.00 O ATOM 1076 CB GLU A 67 1.318 -11.039 0.235 1.00 0.00 C ATOM 1077 CG GLU A 67 0.246 -10.079 0.756 1.00 0.00 C ATOM 1078 CD GLU A 67 -1.108 -10.795 0.814 1.00 0.00 C ATOM 1079 OE1 GLU A 67 -1.817 -10.762 -0.179 1.00 0.00 O ATOM 1080 OE2 GLU A 67 -1.412 -11.362 1.850 1.00 0.00 O ATOM 0 H GLU A 67 1.941 -9.539 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 67 2.878 -9.777 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.035 -11.416 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.399 -11.902 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.519 -9.717 1.747 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.179 -9.207 0.106 1.00 0.00 H new ATOM 1087 N ASN A 68 4.172 -11.585 -1.301 1.00 0.00 N ATOM 1088 CA ASN A 68 5.204 -12.649 -1.550 1.00 0.00 C ATOM 1089 C ASN A 68 6.439 -12.140 -2.324 1.00 0.00 C ATOM 1090 O ASN A 68 7.377 -12.890 -2.530 1.00 0.00 O ATOM 1091 CB ASN A 68 4.536 -13.786 -2.338 1.00 0.00 C ATOM 1092 CG ASN A 68 4.317 -13.371 -3.801 1.00 0.00 C ATOM 1093 OD1 ASN A 68 3.445 -12.439 -4.100 1.00 0.00 O flip ATOM 1094 ND2 ASN A 68 4.949 -13.906 -4.690 1.00 0.00 N flip ATOM 0 H ASN A 68 3.835 -11.097 -2.131 1.00 0.00 H new ATOM 0 HA ASN A 68 5.571 -12.989 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.159 -14.680 -2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.581 -14.042 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.630 -14.632 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.799 -13.629 -5.660 1.00 0.00 H new ATOM 1101 N ALA A 69 6.463 -10.903 -2.759 1.00 0.00 N ATOM 1102 CA ALA A 69 7.656 -10.403 -3.519 1.00 0.00 C ATOM 1103 C ALA A 69 8.784 -10.000 -2.563 1.00 0.00 C ATOM 1104 O ALA A 69 8.549 -9.476 -1.488 1.00 0.00 O ATOM 1105 CB ALA A 69 7.256 -9.206 -4.375 1.00 0.00 C ATOM 0 H ALA A 69 5.716 -10.222 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 69 8.018 -11.207 -4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.125 -8.846 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.479 -9.505 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.877 -8.410 -3.734 1.00 0.00 H new ATOM 1111 N LYS A 70 10.012 -10.234 -2.969 1.00 0.00 N ATOM 1112 CA LYS A 70 11.186 -9.865 -2.121 1.00 0.00 C ATOM 1113 C LYS A 70 11.922 -8.700 -2.788 1.00 0.00 C ATOM 1114 O LYS A 70 12.133 -7.662 -2.186 1.00 0.00 O ATOM 1115 CB LYS A 70 12.128 -11.066 -1.987 1.00 0.00 C ATOM 1116 CG LYS A 70 12.136 -11.553 -0.534 1.00 0.00 C ATOM 1117 CD LYS A 70 12.950 -10.582 0.328 1.00 0.00 C ATOM 1118 CE LYS A 70 12.127 -10.157 1.551 1.00 0.00 C ATOM 1119 NZ LYS A 70 11.487 -8.834 1.294 1.00 0.00 N ATOM 0 H LYS A 70 10.249 -10.669 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 70 10.849 -9.572 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.805 -11.870 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.136 -10.786 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.116 -11.622 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.565 -12.553 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.877 -11.056 0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.227 -9.706 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.364 -10.905 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.769 -10.096 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.424 -8.300 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.058 -8.299 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.532 -8.979 0.910 1.00 0.00 H new ATOM 1133 N LYS A 71 12.279 -8.857 -4.043 1.00 0.00 N ATOM 1134 CA LYS A 71 12.966 -7.751 -4.785 1.00 0.00 C ATOM 1135 C LYS A 71 11.871 -6.837 -5.326 1.00 0.00 C ATOM 1136 O LYS A 71 11.017 -7.279 -6.068 1.00 0.00 O ATOM 1137 CB LYS A 71 13.793 -8.327 -5.942 1.00 0.00 C ATOM 1138 CG LYS A 71 15.259 -7.921 -5.777 1.00 0.00 C ATOM 1139 CD LYS A 71 15.417 -6.429 -6.088 1.00 0.00 C ATOM 1140 CE LYS A 71 16.684 -6.207 -6.918 1.00 0.00 C ATOM 1141 NZ LYS A 71 17.835 -5.931 -6.012 1.00 0.00 N ATOM 0 H LYS A 71 12.123 -9.706 -4.586 1.00 0.00 H new ATOM 0 HA LYS A 71 13.645 -7.203 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.706 -9.413 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.409 -7.961 -6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.592 -8.128 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.888 -8.511 -6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.545 -6.067 -6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.473 -5.858 -5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.891 -7.087 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.540 -5.372 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.694 -5.781 -6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.637 -5.079 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.977 -6.741 -5.375 1.00 0.00 H new ATOM 1155 N ILE A 72 11.856 -5.583 -4.936 1.00 0.00 N ATOM 1156 CA ILE A 72 10.769 -4.678 -5.399 1.00 0.00 C ATOM 1157 C ILE A 72 11.340 -3.486 -6.142 1.00 0.00 C ATOM 1158 O ILE A 72 11.815 -2.545 -5.549 1.00 0.00 O ATOM 1159 CB ILE A 72 9.994 -4.178 -4.180 1.00 0.00 C ATOM 1160 CG1 ILE A 72 9.232 -5.337 -3.527 1.00 0.00 C ATOM 1161 CG2 ILE A 72 9.010 -3.080 -4.590 1.00 0.00 C ATOM 1162 CD1 ILE A 72 9.268 -5.182 -2.005 1.00 0.00 C ATOM 0 H ILE A 72 12.548 -5.155 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 72 10.114 -5.229 -6.074 1.00 0.00 H new ATOM 0 HB ILE A 72 10.704 -3.768 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.200 -5.350 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.679 -6.288 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 72 8.465 -2.733 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 72 9.558 -2.246 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.306 -3.477 -5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.726 -6.007 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.303 -5.191 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.801 -4.238 -1.724 1.00 0.00 H new ATOM 1174 N GLU A 73 11.231 -3.495 -7.433 1.00 0.00 N ATOM 1175 CA GLU A 73 11.708 -2.340 -8.229 1.00 0.00 C ATOM 1176 C GLU A 73 10.548 -1.346 -8.281 1.00 0.00 C ATOM 1177 O GLU A 73 10.013 -1.058 -9.335 1.00 0.00 O ATOM 1178 CB GLU A 73 12.096 -2.813 -9.637 1.00 0.00 C ATOM 1179 CG GLU A 73 13.623 -2.842 -9.764 1.00 0.00 C ATOM 1180 CD GLU A 73 14.188 -4.006 -8.942 1.00 0.00 C ATOM 1181 OE1 GLU A 73 14.459 -3.802 -7.770 1.00 0.00 O ATOM 1182 OE2 GLU A 73 14.343 -5.082 -9.498 1.00 0.00 O ATOM 0 H GLU A 73 10.829 -4.259 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 73 12.590 -1.874 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.686 -3.805 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.671 -2.145 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.908 -2.951 -10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.045 -1.899 -9.415 1.00 0.00 H new ATOM 1189 N VAL A 74 10.137 -0.854 -7.122 1.00 0.00 N ATOM 1190 CA VAL A 74 8.969 0.097 -7.058 1.00 0.00 C ATOM 1191 C VAL A 74 9.022 1.065 -8.235 1.00 0.00 C ATOM 1192 O VAL A 74 9.926 1.875 -8.354 1.00 0.00 O ATOM 1193 CB VAL A 74 8.932 0.923 -5.756 1.00 0.00 C ATOM 1194 CG1 VAL A 74 7.654 0.609 -4.994 1.00 0.00 C ATOM 1195 CG2 VAL A 74 10.132 0.632 -4.851 1.00 0.00 C ATOM 0 H VAL A 74 10.562 -1.072 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 74 8.071 -0.520 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 74 8.969 1.976 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.627 1.192 -4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.791 0.863 -5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.627 -0.453 -4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.061 1.237 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.137 -0.424 -4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 74 11.054 0.875 -5.379 1.00 0.00 H new ATOM 1205 N GLU A 75 8.047 0.983 -9.095 1.00 0.00 N ATOM 1206 CA GLU A 75 8.002 1.887 -10.275 1.00 0.00 C ATOM 1207 C GLU A 75 7.064 3.046 -9.949 1.00 0.00 C ATOM 1208 O GLU A 75 5.858 2.951 -10.095 1.00 0.00 O ATOM 1209 CB GLU A 75 7.527 1.130 -11.531 1.00 0.00 C ATOM 1210 CG GLU A 75 6.649 -0.067 -11.162 1.00 0.00 C ATOM 1211 CD GLU A 75 7.541 -1.261 -10.794 1.00 0.00 C ATOM 1212 OE1 GLU A 75 8.395 -1.617 -11.593 1.00 0.00 O ATOM 1213 OE2 GLU A 75 7.361 -1.793 -9.714 1.00 0.00 O ATOM 0 H GLU A 75 7.273 0.322 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 75 9.001 2.267 -10.490 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.968 1.808 -12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.391 0.788 -12.100 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.001 0.188 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.001 -0.328 -11.998 1.00 0.00 H new ATOM 1220 N PHE A 76 7.625 4.136 -9.486 1.00 0.00 N ATOM 1221 CA PHE A 76 6.814 5.321 -9.117 1.00 0.00 C ATOM 1222 C PHE A 76 7.234 6.514 -9.980 1.00 0.00 C ATOM 1223 O PHE A 76 8.198 6.455 -10.724 1.00 0.00 O ATOM 1224 CB PHE A 76 7.026 5.657 -7.629 1.00 0.00 C ATOM 1225 CG PHE A 76 8.497 5.572 -7.270 1.00 0.00 C ATOM 1226 CD1 PHE A 76 9.381 6.581 -7.677 1.00 0.00 C ATOM 1227 CD2 PHE A 76 8.974 4.481 -6.532 1.00 0.00 C ATOM 1228 CE1 PHE A 76 10.739 6.498 -7.344 1.00 0.00 C ATOM 1229 CE2 PHE A 76 10.331 4.400 -6.199 1.00 0.00 C ATOM 1230 CZ PHE A 76 11.213 5.407 -6.606 1.00 0.00 C ATOM 0 H PHE A 76 8.629 4.249 -9.348 1.00 0.00 H new ATOM 0 HA PHE A 76 5.759 5.103 -9.286 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.652 6.659 -7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.454 4.967 -7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.015 7.422 -8.247 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.294 3.702 -6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.420 7.276 -7.657 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.697 3.560 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.260 5.343 -6.351 1.00 0.00 H new ATOM 1240 N ASP A 77 6.515 7.592 -9.870 1.00 0.00 N ATOM 1241 CA ASP A 77 6.844 8.815 -10.665 1.00 0.00 C ATOM 1242 C ASP A 77 7.918 9.627 -9.932 1.00 0.00 C ATOM 1243 O ASP A 77 7.790 9.922 -8.757 1.00 0.00 O ATOM 1244 CB ASP A 77 5.583 9.672 -10.845 1.00 0.00 C ATOM 1245 CG ASP A 77 4.444 8.814 -11.410 1.00 0.00 C ATOM 1246 OD1 ASP A 77 4.517 8.454 -12.575 1.00 0.00 O ATOM 1247 OD2 ASP A 77 3.518 8.530 -10.667 1.00 0.00 O ATOM 0 H ASP A 77 5.704 7.684 -9.258 1.00 0.00 H new ATOM 0 HA ASP A 77 7.218 8.519 -11.645 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.286 10.102 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.791 10.504 -11.518 1.00 0.00 H new ATOM 1252 N LYS A 78 8.977 9.983 -10.623 1.00 0.00 N ATOM 1253 CA LYS A 78 10.076 10.771 -9.982 1.00 0.00 C ATOM 1254 C LYS A 78 9.578 12.184 -9.647 1.00 0.00 C ATOM 1255 O LYS A 78 8.972 12.851 -10.468 1.00 0.00 O ATOM 1256 CB LYS A 78 11.278 10.854 -10.936 1.00 0.00 C ATOM 1257 CG LYS A 78 10.885 11.597 -12.219 1.00 0.00 C ATOM 1258 CD LYS A 78 11.951 11.371 -13.294 1.00 0.00 C ATOM 1259 CE LYS A 78 12.766 12.652 -13.487 1.00 0.00 C ATOM 1260 NZ LYS A 78 14.036 12.558 -12.709 1.00 0.00 N ATOM 0 H LYS A 78 9.126 9.760 -11.607 1.00 0.00 H new ATOM 0 HA LYS A 78 10.383 10.275 -9.061 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.105 11.369 -10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.628 9.851 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.917 11.243 -12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.780 12.663 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.607 10.551 -13.003 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.479 11.083 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.985 12.800 -14.544 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.189 13.516 -13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.589 13.429 -12.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.817 12.437 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.589 11.743 -13.044 1.00 0.00 H new ATOM 1274 N GLY A 79 9.826 12.639 -8.439 1.00 0.00 N ATOM 1275 CA GLY A 79 9.369 14.005 -8.033 1.00 0.00 C ATOM 1276 C GLY A 79 7.942 13.949 -7.466 1.00 0.00 C ATOM 1277 O GLY A 79 7.522 14.847 -6.758 1.00 0.00 O ATOM 0 H GLY A 79 10.326 12.120 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.048 14.415 -7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.399 14.675 -8.892 1.00 0.00 H new ATOM 1281 N GLN A 80 7.197 12.905 -7.764 1.00 0.00 N ATOM 1282 CA GLN A 80 5.810 12.786 -7.245 1.00 0.00 C ATOM 1283 C GLN A 80 5.868 12.261 -5.808 1.00 0.00 C ATOM 1284 O GLN A 80 5.821 13.038 -4.871 1.00 0.00 O ATOM 1285 CB GLN A 80 5.016 11.831 -8.148 1.00 0.00 C ATOM 1286 CG GLN A 80 3.577 11.694 -7.638 1.00 0.00 C ATOM 1287 CD GLN A 80 3.346 10.268 -7.130 1.00 0.00 C ATOM 1288 OE1 GLN A 80 3.672 9.306 -7.800 1.00 0.00 O ATOM 1289 NE2 GLN A 80 2.790 10.087 -5.966 1.00 0.00 N ATOM 0 H GLN A 80 7.502 12.128 -8.351 1.00 0.00 H new ATOM 0 HA GLN A 80 5.312 13.756 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.013 12.205 -9.172 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.497 10.853 -8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.395 12.410 -6.837 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.873 11.924 -8.438 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.515 10.891 -5.401 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.629 9.141 -5.619 1.00 0.00 H new ATOM 1298 N ARG A 81 5.971 10.953 -5.626 1.00 0.00 N ATOM 1299 CA ARG A 81 6.035 10.348 -4.247 1.00 0.00 C ATOM 1300 C ARG A 81 4.675 10.473 -3.537 1.00 0.00 C ATOM 1301 O ARG A 81 4.213 9.542 -2.914 1.00 0.00 O ATOM 1302 CB ARG A 81 7.113 11.043 -3.403 1.00 0.00 C ATOM 1303 CG ARG A 81 8.492 10.813 -4.031 1.00 0.00 C ATOM 1304 CD ARG A 81 9.530 11.677 -3.309 1.00 0.00 C ATOM 1305 NE ARG A 81 9.782 11.122 -1.947 1.00 0.00 N ATOM 1306 CZ ARG A 81 10.816 11.524 -1.257 1.00 0.00 C ATOM 1307 NH1 ARG A 81 12.005 11.051 -1.530 1.00 0.00 N ATOM 1308 NH2 ARG A 81 10.662 12.397 -0.297 1.00 0.00 N ATOM 0 H ARG A 81 6.014 10.274 -6.386 1.00 0.00 H new ATOM 0 HA ARG A 81 6.288 9.293 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.906 12.111 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.097 10.654 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.766 9.760 -3.959 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.467 11.064 -5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.458 11.702 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.174 12.705 -3.234 1.00 0.00 H new ATOM 0 HE ARG A 81 9.146 10.428 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.123 10.370 -2.280 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.814 11.363 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.734 12.765 -0.086 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.469 12.711 0.242 1.00 0.00 H new ATOM 1322 N THR A 82 4.044 11.620 -3.628 1.00 0.00 N ATOM 1323 CA THR A 82 2.715 11.843 -2.966 1.00 0.00 C ATOM 1324 C THR A 82 1.992 12.972 -3.707 1.00 0.00 C ATOM 1325 O THR A 82 2.579 14.006 -3.976 1.00 0.00 O ATOM 1326 CB THR A 82 2.927 12.240 -1.499 1.00 0.00 C ATOM 1327 OG1 THR A 82 3.849 13.325 -1.425 1.00 0.00 O ATOM 1328 CG2 THR A 82 3.469 11.049 -0.703 1.00 0.00 C ATOM 0 H THR A 82 4.399 12.426 -4.142 1.00 0.00 H new ATOM 0 HA THR A 82 2.121 10.930 -3.000 1.00 0.00 H new ATOM 0 HB THR A 82 1.971 12.545 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.837 13.822 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.616 11.343 0.336 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.757 10.225 -0.751 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.421 10.730 -1.128 1.00 0.00 H new ATOM 1336 N ASP A 83 0.727 12.786 -4.041 1.00 0.00 N ATOM 1337 CA ASP A 83 -0.034 13.860 -4.764 1.00 0.00 C ATOM 1338 C ASP A 83 0.248 15.193 -4.069 1.00 0.00 C ATOM 1339 O ASP A 83 0.824 16.101 -4.641 1.00 0.00 O ATOM 1340 CB ASP A 83 -1.539 13.550 -4.723 1.00 0.00 C ATOM 1341 CG ASP A 83 -2.325 14.681 -5.398 1.00 0.00 C ATOM 1342 OD1 ASP A 83 -2.409 14.675 -6.616 1.00 0.00 O ATOM 1343 OD2 ASP A 83 -2.830 15.534 -4.685 1.00 0.00 O ATOM 0 H ASP A 83 0.194 11.939 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 83 0.278 13.909 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.738 12.605 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.867 13.434 -3.690 1.00 0.00 H new ATOM 1348 N LYS A 84 -0.105 15.272 -2.818 1.00 0.00 N ATOM 1349 CA LYS A 84 0.173 16.485 -2.004 1.00 0.00 C ATOM 1350 C LYS A 84 0.786 16.013 -0.673 1.00 0.00 C ATOM 1351 O LYS A 84 0.752 16.718 0.318 1.00 0.00 O ATOM 1352 CB LYS A 84 -1.134 17.247 -1.748 1.00 0.00 C ATOM 1353 CG LYS A 84 -0.835 18.742 -1.595 1.00 0.00 C ATOM 1354 CD LYS A 84 -1.462 19.264 -0.298 1.00 0.00 C ATOM 1355 CE LYS A 84 -0.357 19.688 0.675 1.00 0.00 C ATOM 1356 NZ LYS A 84 0.004 21.115 0.433 1.00 0.00 N ATOM 0 H LYS A 84 -0.587 14.527 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 84 0.859 17.155 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.828 17.087 -2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.617 16.868 -0.847 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.242 18.908 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.232 19.291 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.115 20.110 -0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.082 18.490 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.694 19.557 1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.520 19.054 0.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.754 21.400 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.343 21.226 -0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.833 21.714 0.579 1.00 0.00 H new ATOM 1370 N TYR A 85 1.291 14.783 -0.659 1.00 0.00 N ATOM 1371 CA TYR A 85 1.870 14.146 0.565 1.00 0.00 C ATOM 1372 C TYR A 85 0.788 13.218 1.093 1.00 0.00 C ATOM 1373 O TYR A 85 0.590 13.063 2.287 1.00 0.00 O ATOM 1374 CB TYR A 85 2.286 15.159 1.646 1.00 0.00 C ATOM 1375 CG TYR A 85 3.049 14.414 2.720 1.00 0.00 C ATOM 1376 CD1 TYR A 85 4.223 13.724 2.390 1.00 0.00 C ATOM 1377 CD2 TYR A 85 2.567 14.387 4.034 1.00 0.00 C ATOM 1378 CE1 TYR A 85 4.918 13.012 3.375 1.00 0.00 C ATOM 1379 CE2 TYR A 85 3.259 13.672 5.017 1.00 0.00 C ATOM 1380 CZ TYR A 85 4.435 12.984 4.688 1.00 0.00 C ATOM 1381 OH TYR A 85 5.118 12.278 5.659 1.00 0.00 O ATOM 0 H TYR A 85 1.320 14.184 -1.484 1.00 0.00 H new ATOM 0 HA TYR A 85 2.790 13.620 0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.906 15.944 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 85 1.407 15.645 2.071 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.592 13.741 1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.662 14.918 4.289 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.826 12.485 3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.887 13.650 6.031 1.00 0.00 H new ATOM 0 HH TYR A 85 4.649 12.362 6.515 1.00 0.00 H new ATOM 1391 N GLY A 86 0.056 12.619 0.182 1.00 0.00 N ATOM 1392 CA GLY A 86 -1.044 11.731 0.581 1.00 0.00 C ATOM 1393 C GLY A 86 -0.764 10.286 0.202 1.00 0.00 C ATOM 1394 O GLY A 86 -1.268 9.390 0.847 1.00 0.00 O ATOM 0 H GLY A 86 0.187 12.718 -0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.197 11.802 1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.968 12.060 0.106 1.00 0.00 H new ATOM 1398 N ARG A 87 -0.008 10.032 -0.849 1.00 0.00 N ATOM 1399 CA ARG A 87 0.219 8.611 -1.240 1.00 0.00 C ATOM 1400 C ARG A 87 1.176 8.469 -2.418 1.00 0.00 C ATOM 1401 O ARG A 87 1.205 9.285 -3.318 1.00 0.00 O ATOM 1402 CB ARG A 87 -1.116 8.056 -1.681 1.00 0.00 C ATOM 1403 CG ARG A 87 -1.290 6.623 -1.168 1.00 0.00 C ATOM 1404 CD ARG A 87 -1.655 6.647 0.319 1.00 0.00 C ATOM 1405 NE ARG A 87 -0.405 6.648 1.139 1.00 0.00 N ATOM 1406 CZ ARG A 87 -0.453 6.939 2.413 1.00 0.00 C ATOM 1407 NH1 ARG A 87 -1.146 6.191 3.231 1.00 0.00 N ATOM 1408 NH2 ARG A 87 0.197 7.978 2.869 1.00 0.00 N ATOM 0 H ARG A 87 0.447 10.732 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 87 0.652 8.088 -0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.922 8.685 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.183 8.071 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.070 6.116 -1.736 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.369 6.059 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.251 7.532 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.266 5.779 0.569 1.00 0.00 H new ATOM 0 HE ARG A 87 0.489 6.421 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.650 5.379 2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.182 6.420 4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.740 8.560 2.231 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.161 8.207 3.862 1.00 0.00 H new ATOM 1422 N VAL A 88 1.913 7.390 -2.438 1.00 0.00 N ATOM 1423 CA VAL A 88 2.842 7.128 -3.569 1.00 0.00 C ATOM 1424 C VAL A 88 2.082 6.362 -4.659 1.00 0.00 C ATOM 1425 O VAL A 88 2.255 5.167 -4.822 1.00 0.00 O ATOM 1426 CB VAL A 88 4.030 6.291 -3.081 1.00 0.00 C ATOM 1427 CG1 VAL A 88 5.151 6.350 -4.124 1.00 0.00 C ATOM 1428 CG2 VAL A 88 4.551 6.840 -1.747 1.00 0.00 C ATOM 0 H VAL A 88 1.909 6.674 -1.711 1.00 0.00 H new ATOM 0 HA VAL A 88 3.216 8.071 -3.968 1.00 0.00 H new ATOM 0 HB VAL A 88 3.706 5.260 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 88 5.998 5.756 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.788 5.951 -5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.465 7.385 -4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.395 6.238 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.873 7.873 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.756 6.800 -1.002 1.00 0.00 H new ATOM 1438 N LEU A 89 1.235 7.046 -5.399 1.00 0.00 N ATOM 1439 CA LEU A 89 0.454 6.374 -6.486 1.00 0.00 C ATOM 1440 C LEU A 89 1.431 5.764 -7.500 1.00 0.00 C ATOM 1441 O LEU A 89 1.857 6.403 -8.448 1.00 0.00 O ATOM 1442 CB LEU A 89 -0.474 7.387 -7.181 1.00 0.00 C ATOM 1443 CG LEU A 89 0.299 8.665 -7.531 1.00 0.00 C ATOM 1444 CD1 LEU A 89 0.139 8.969 -9.022 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -0.252 9.835 -6.710 1.00 0.00 C ATOM 0 H LEU A 89 1.053 8.044 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.164 5.585 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.891 6.947 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.313 7.629 -6.529 1.00 0.00 H new ATOM 0 HG LEU A 89 1.355 8.524 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.689 9.877 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.531 8.137 -9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.917 9.110 -9.253 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.297 10.744 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.308 9.975 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.137 9.620 -5.648 1.00 0.00 H new ATOM 1457 N ALA A 90 1.801 4.529 -7.281 1.00 0.00 N ATOM 1458 CA ALA A 90 2.763 3.836 -8.185 1.00 0.00 C ATOM 1459 C ALA A 90 2.454 2.335 -8.182 1.00 0.00 C ATOM 1460 O ALA A 90 1.381 1.924 -7.771 1.00 0.00 O ATOM 1461 CB ALA A 90 4.183 4.077 -7.664 1.00 0.00 C ATOM 0 H ALA A 90 1.470 3.963 -6.500 1.00 0.00 H new ATOM 0 HA ALA A 90 2.677 4.219 -9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.899 3.576 -8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.390 5.147 -7.653 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.272 3.680 -6.653 1.00 0.00 H new ATOM 1467 N TYR A 91 3.373 1.510 -8.631 1.00 0.00 N ATOM 1468 CA TYR A 91 3.105 0.043 -8.637 1.00 0.00 C ATOM 1469 C TYR A 91 4.351 -0.751 -8.255 1.00 0.00 C ATOM 1470 O TYR A 91 5.467 -0.271 -8.330 1.00 0.00 O ATOM 1471 CB TYR A 91 2.539 -0.372 -9.989 1.00 0.00 C ATOM 1472 CG TYR A 91 1.043 -0.179 -9.893 1.00 0.00 C ATOM 1473 CD1 TYR A 91 0.292 -1.007 -9.046 1.00 0.00 C ATOM 1474 CD2 TYR A 91 0.413 0.854 -10.596 1.00 0.00 C ATOM 1475 CE1 TYR A 91 -1.083 -0.804 -8.904 1.00 0.00 C ATOM 1476 CE2 TYR A 91 -0.966 1.052 -10.460 1.00 0.00 C ATOM 1477 CZ TYR A 91 -1.714 0.224 -9.612 1.00 0.00 C ATOM 1478 OH TYR A 91 -3.072 0.427 -9.472 1.00 0.00 O ATOM 0 H TYR A 91 4.286 1.790 -8.989 1.00 0.00 H new ATOM 0 HA TYR A 91 2.357 -0.186 -7.878 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.960 0.235 -10.791 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.785 -1.410 -10.213 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.778 -1.804 -8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.990 1.498 -11.243 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.658 -1.440 -8.248 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.454 1.844 -11.009 1.00 0.00 H new ATOM 0 HH TYR A 91 -3.553 -0.104 -10.140 1.00 0.00 H new ATOM 1488 N ILE A 92 4.141 -1.964 -7.804 1.00 0.00 N ATOM 1489 CA ILE A 92 5.268 -2.831 -7.361 1.00 0.00 C ATOM 1490 C ILE A 92 5.325 -4.054 -8.274 1.00 0.00 C ATOM 1491 O ILE A 92 4.447 -4.897 -8.235 1.00 0.00 O ATOM 1492 CB ILE A 92 5.026 -3.355 -5.925 1.00 0.00 C ATOM 1493 CG1 ILE A 92 4.499 -2.262 -4.980 1.00 0.00 C ATOM 1494 CG2 ILE A 92 6.324 -3.926 -5.362 1.00 0.00 C ATOM 1495 CD1 ILE A 92 5.409 -1.033 -4.994 1.00 0.00 C ATOM 0 H ILE A 92 3.219 -2.393 -7.724 1.00 0.00 H new ATOM 0 HA ILE A 92 6.187 -2.246 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 92 4.263 -4.130 -5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.491 -1.975 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.431 -2.656 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.151 -4.294 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.665 -4.746 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.085 -3.146 -5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.011 -0.278 -4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.410 -1.318 -4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.455 -0.626 -6.004 1.00 0.00 H new ATOM 1507 N TYR A 93 6.350 -4.181 -9.066 1.00 0.00 N ATOM 1508 CA TYR A 93 6.465 -5.378 -9.947 1.00 0.00 C ATOM 1509 C TYR A 93 7.522 -6.275 -9.335 1.00 0.00 C ATOM 1510 O TYR A 93 8.415 -6.776 -9.999 1.00 0.00 O ATOM 1511 CB TYR A 93 6.861 -4.957 -11.358 1.00 0.00 C ATOM 1512 CG TYR A 93 5.887 -3.922 -11.860 1.00 0.00 C ATOM 1513 CD1 TYR A 93 4.602 -3.816 -11.306 1.00 0.00 C ATOM 1514 CD2 TYR A 93 6.283 -3.052 -12.867 1.00 0.00 C ATOM 1515 CE1 TYR A 93 3.729 -2.840 -11.769 1.00 0.00 C ATOM 1516 CE2 TYR A 93 5.413 -2.072 -13.330 1.00 0.00 C ATOM 1517 CZ TYR A 93 4.129 -1.961 -12.782 1.00 0.00 C ATOM 1518 OH TYR A 93 3.262 -0.988 -13.239 1.00 0.00 O ATOM 0 H TYR A 93 7.114 -3.509 -9.143 1.00 0.00 H new ATOM 0 HA TYR A 93 5.514 -5.905 -10.022 1.00 0.00 H new ATOM 0 HB2 TYR A 93 7.873 -4.552 -11.359 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.864 -5.822 -12.021 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.293 -4.491 -10.522 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.272 -3.137 -13.293 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.739 -2.759 -11.346 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.727 -1.396 -14.112 1.00 0.00 H new ATOM 0 HH TYR A 93 3.700 -0.464 -13.942 1.00 0.00 H new ATOM 1528 N ALA A 94 7.419 -6.459 -8.050 1.00 0.00 N ATOM 1529 CA ALA A 94 8.385 -7.287 -7.327 1.00 0.00 C ATOM 1530 C ALA A 94 8.015 -8.751 -7.528 1.00 0.00 C ATOM 1531 O ALA A 94 6.994 -9.213 -7.052 1.00 0.00 O ATOM 1532 CB ALA A 94 8.328 -6.924 -5.846 1.00 0.00 C ATOM 0 H ALA A 94 6.684 -6.055 -7.469 1.00 0.00 H new ATOM 0 HA ALA A 94 9.396 -7.118 -7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.043 -7.534 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.576 -5.870 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.324 -7.108 -5.465 1.00 0.00 H new ATOM 1538 N ASP A 95 8.829 -9.475 -8.248 1.00 0.00 N ATOM 1539 CA ASP A 95 8.537 -10.921 -8.506 1.00 0.00 C ATOM 1540 C ASP A 95 7.139 -11.086 -9.131 1.00 0.00 C ATOM 1541 O ASP A 95 6.554 -12.154 -9.079 1.00 0.00 O ATOM 1542 CB ASP A 95 8.570 -11.666 -7.174 1.00 0.00 C ATOM 1543 CG ASP A 95 10.011 -11.756 -6.658 1.00 0.00 C ATOM 1544 OD1 ASP A 95 10.421 -10.854 -5.942 1.00 0.00 O ATOM 1545 OD2 ASP A 95 10.678 -12.724 -6.984 1.00 0.00 O ATOM 0 H ASP A 95 9.689 -9.128 -8.672 1.00 0.00 H new ATOM 0 HA ASP A 95 9.282 -11.320 -9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.945 -11.151 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.156 -12.667 -7.298 1.00 0.00 H new ATOM 1550 N GLY A 96 6.599 -10.037 -9.703 1.00 0.00 N ATOM 1551 CA GLY A 96 5.242 -10.122 -10.311 1.00 0.00 C ATOM 1552 C GLY A 96 5.273 -9.552 -11.707 1.00 0.00 C ATOM 1553 O GLY A 96 4.955 -10.229 -12.668 1.00 0.00 O ATOM 0 H GLY A 96 7.045 -9.123 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.910 -11.160 -10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.524 -9.574 -9.700 1.00 0.00 H new ATOM 1557 N LYS A 97 5.619 -8.295 -11.813 1.00 0.00 N ATOM 1558 CA LYS A 97 5.633 -7.623 -13.153 1.00 0.00 C ATOM 1559 C LYS A 97 4.294 -7.922 -13.861 1.00 0.00 C ATOM 1560 O LYS A 97 4.198 -7.924 -15.076 1.00 0.00 O ATOM 1561 CB LYS A 97 6.808 -8.146 -13.985 1.00 0.00 C ATOM 1562 CG LYS A 97 7.158 -7.135 -15.080 1.00 0.00 C ATOM 1563 CD LYS A 97 8.399 -7.608 -15.842 1.00 0.00 C ATOM 1564 CE LYS A 97 9.657 -7.042 -15.178 1.00 0.00 C ATOM 1565 NZ LYS A 97 10.854 -7.397 -15.993 1.00 0.00 N ATOM 0 H LYS A 97 5.893 -7.702 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 97 5.753 -6.546 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.673 -8.315 -13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.550 -9.106 -14.432 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.319 -7.023 -15.766 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.342 -6.155 -14.639 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.439 -8.697 -15.851 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.346 -7.282 -16.881 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.576 -5.959 -15.085 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.759 -7.442 -14.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.708 -7.012 -15.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.934 -8.432 -16.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.756 -6.995 -16.947 1.00 0.00 H new ATOM 1579 N MET A 98 3.260 -8.165 -13.082 1.00 0.00 N ATOM 1580 CA MET A 98 1.909 -8.458 -13.641 1.00 0.00 C ATOM 1581 C MET A 98 1.209 -7.128 -13.863 1.00 0.00 C ATOM 1582 O MET A 98 0.606 -6.891 -14.897 1.00 0.00 O ATOM 1583 CB MET A 98 1.106 -9.312 -12.646 1.00 0.00 C ATOM 1584 CG MET A 98 1.258 -8.751 -11.225 1.00 0.00 C ATOM 1585 SD MET A 98 0.045 -9.536 -10.137 1.00 0.00 S ATOM 1586 CE MET A 98 -1.390 -8.566 -10.664 1.00 0.00 C ATOM 0 H MET A 98 3.304 -8.171 -12.063 1.00 0.00 H new ATOM 0 HA MET A 98 1.991 -9.010 -14.577 1.00 0.00 H new ATOM 0 HB2 MET A 98 0.054 -9.322 -12.930 1.00 0.00 H new ATOM 0 HB3 MET A 98 1.455 -10.344 -12.677 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.267 -8.935 -10.856 1.00 0.00 H new ATOM 0 HG3 MET A 98 1.112 -7.671 -11.231 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.852 -8.098 -9.795 1.00 0.00 H new ATOM 0 HE2 MET A 98 -1.070 -7.794 -11.364 1.00 0.00 H new ATOM 0 HE3 MET A 98 -2.113 -9.221 -11.151 1.00 0.00 H new ATOM 1596 N VAL A 99 1.341 -6.238 -12.911 1.00 0.00 N ATOM 1597 CA VAL A 99 0.756 -4.889 -13.052 1.00 0.00 C ATOM 1598 C VAL A 99 1.615 -4.142 -14.078 1.00 0.00 C ATOM 1599 O VAL A 99 1.164 -3.213 -14.723 1.00 0.00 O ATOM 1600 CB VAL A 99 0.781 -4.181 -11.694 1.00 0.00 C ATOM 1601 CG1 VAL A 99 0.322 -2.740 -11.865 1.00 0.00 C ATOM 1602 CG2 VAL A 99 -0.162 -4.900 -10.727 1.00 0.00 C ATOM 0 H VAL A 99 1.837 -6.400 -12.035 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.281 -4.928 -13.385 1.00 0.00 H new ATOM 0 HB VAL A 99 1.795 -4.197 -11.295 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.340 -2.235 -10.899 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.990 -2.225 -12.556 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.693 -2.726 -12.263 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.145 -4.397 -9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.176 -4.883 -11.127 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.162 -5.933 -10.604 1.00 0.00 H new ATOM 1612 N ASN A 100 2.855 -4.579 -14.242 1.00 0.00 N ATOM 1613 CA ASN A 100 3.774 -3.942 -15.244 1.00 0.00 C ATOM 1614 C ASN A 100 3.090 -3.894 -16.621 1.00 0.00 C ATOM 1615 O ASN A 100 3.255 -2.942 -17.361 1.00 0.00 O ATOM 1616 CB ASN A 100 5.063 -4.771 -15.346 1.00 0.00 C ATOM 1617 CG ASN A 100 5.921 -4.274 -16.516 1.00 0.00 C ATOM 1618 OD1 ASN A 100 5.864 -4.823 -17.600 1.00 0.00 O ATOM 1619 ND2 ASN A 100 6.720 -3.256 -16.345 1.00 0.00 N ATOM 0 H ASN A 100 3.265 -5.353 -13.719 1.00 0.00 H new ATOM 0 HA ASN A 100 4.011 -2.927 -14.924 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.626 -4.697 -14.416 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.817 -5.823 -15.487 1.00 0.00 H new ATOM 0 HD21 ASN A 100 7.294 -2.923 -17.119 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.770 -2.794 -15.437 1.00 0.00 H new ATOM 1626 N GLU A 101 2.327 -4.914 -16.960 1.00 0.00 N ATOM 1627 CA GLU A 101 1.623 -4.940 -18.284 1.00 0.00 C ATOM 1628 C GLU A 101 0.842 -3.635 -18.482 1.00 0.00 C ATOM 1629 O GLU A 101 0.916 -3.016 -19.527 1.00 0.00 O ATOM 1630 CB GLU A 101 0.654 -6.129 -18.321 1.00 0.00 C ATOM 1631 CG GLU A 101 0.047 -6.261 -19.723 1.00 0.00 C ATOM 1632 CD GLU A 101 -1.433 -5.864 -19.684 1.00 0.00 C ATOM 1633 OE1 GLU A 101 -2.253 -6.730 -19.419 1.00 0.00 O ATOM 1634 OE2 GLU A 101 -1.722 -4.701 -19.920 1.00 0.00 O ATOM 0 H GLU A 101 2.163 -5.731 -16.372 1.00 0.00 H new ATOM 0 HA GLU A 101 2.358 -5.042 -19.083 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.179 -7.046 -18.054 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.137 -5.989 -17.584 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.586 -5.624 -20.425 1.00 0.00 H new ATOM 0 HG3 GLU A 101 0.149 -7.286 -20.079 1.00 0.00 H new ATOM 1641 N ALA A 102 0.101 -3.215 -17.481 1.00 0.00 N ATOM 1642 CA ALA A 102 -0.681 -1.947 -17.595 1.00 0.00 C ATOM 1643 C ALA A 102 0.285 -0.757 -17.601 1.00 0.00 C ATOM 1644 O ALA A 102 0.950 -0.486 -16.614 1.00 0.00 O ATOM 1645 CB ALA A 102 -1.644 -1.826 -16.409 1.00 0.00 C ATOM 0 H ALA A 102 0.006 -3.700 -16.589 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.256 -1.954 -18.521 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.213 -0.900 -16.495 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.329 -2.674 -16.408 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.076 -1.818 -15.479 1.00 0.00 H new ATOM 1651 N LEU A 103 0.369 -0.055 -18.713 1.00 0.00 N ATOM 1652 CA LEU A 103 1.290 1.126 -18.832 1.00 0.00 C ATOM 1653 C LEU A 103 2.746 0.647 -18.973 1.00 0.00 C ATOM 1654 O LEU A 103 3.331 0.907 -20.012 1.00 0.00 O ATOM 1655 CB LEU A 103 1.151 2.038 -17.601 1.00 0.00 C ATOM 1656 CG LEU A 103 1.428 3.491 -18.001 1.00 0.00 C ATOM 1657 CD1 LEU A 103 0.685 4.433 -17.051 1.00 0.00 C ATOM 1658 CD2 LEU A 103 2.933 3.767 -17.922 1.00 0.00 C ATOM 1659 OXT LEU A 103 3.253 0.029 -18.047 1.00 0.00 O ATOM 0 H LEU A 103 -0.171 -0.255 -19.555 1.00 0.00 H new ATOM 0 HA LEU A 103 1.016 1.695 -19.721 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.148 1.951 -17.183 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.849 1.725 -16.824 1.00 0.00 H new ATOM 0 HG LEU A 103 1.083 3.658 -19.021 1.00 0.00 H new ATOM 0 HD11 LEU A 103 0.882 5.467 -17.336 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.386 4.238 -17.110 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.029 4.266 -16.030 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.129 4.801 -18.207 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.281 3.599 -16.903 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.462 3.097 -18.600 1.00 0.00 H new TER 1671 LEU A 103