USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 717 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 39 TYR OH : rot -117:sc= 0.884 USER MOD Set 1.2: A 70 ASN : amide:sc= -0.999 X(o=-2.6,f=-2.5!) USER MOD Set 1.3: A 73 HIS : no HD1:sc= -2.5 K(o=-2.6,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0929 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 22:sc= 0.774 USER MOD Single : A 9 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-0.8) USER MOD Single : A 14 HIS : no HD1:sc= -1.03 K(o=-1,f=-2!) USER MOD Single : A 15 LYS NZ :NH3+ 145:sc= 0.207 (180deg=-0.0225) USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0482) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 31 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.975 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.725! C(o=-0.72!,f=-8.5!) USER MOD Single : A 55 THR OG1 : rot -40:sc= 1.13 USER MOD Single : A 57 THR OG1 : rot -66:sc= 0.332 USER MOD Single : A 62 SER OG : rot -21:sc= 0.77 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -50:sc= 0.515 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 103:sc= 1.19 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.037 18.092 -3.113 1.00 0.00 N ATOM 2 CA GLY A 1 11.703 17.091 -3.925 1.00 0.00 C ATOM 3 C GLY A 1 11.006 16.863 -5.252 1.00 0.00 C ATOM 4 O GLY A 1 10.001 17.507 -5.551 1.00 0.00 O ATOM 0 H1 GLY A 1 11.707 18.852 -2.880 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.233 18.488 -3.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.692 17.654 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.732 17.401 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.746 16.151 -3.375 1.00 0.00 H new ATOM 8 N SER A 2 11.542 15.944 -6.050 1.00 0.00 N ATOM 9 CA SER A 2 10.968 15.637 -7.355 1.00 0.00 C ATOM 10 C SER A 2 10.540 14.174 -7.429 1.00 0.00 C ATOM 11 O SER A 2 9.538 13.841 -8.062 1.00 0.00 O ATOM 12 CB SER A 2 11.977 15.942 -8.464 1.00 0.00 C ATOM 13 OG SER A 2 11.960 17.317 -8.804 1.00 0.00 O ATOM 0 H SER A 2 12.372 15.400 -5.816 1.00 0.00 H new ATOM 0 HA SER A 2 10.087 16.263 -7.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.977 15.657 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.746 15.343 -9.345 1.00 0.00 H new ATOM 0 HG SER A 2 12.614 17.487 -9.513 1.00 0.00 H new ATOM 19 N SER A 3 11.307 13.306 -6.777 1.00 0.00 N ATOM 20 CA SER A 3 11.010 11.878 -6.772 1.00 0.00 C ATOM 21 C SER A 3 10.534 11.417 -8.146 1.00 0.00 C ATOM 22 O SER A 3 9.586 10.642 -8.259 1.00 0.00 O ATOM 23 CB SER A 3 9.948 11.561 -5.718 1.00 0.00 C ATOM 24 OG SER A 3 10.403 11.894 -4.418 1.00 0.00 O ATOM 0 H SER A 3 12.138 13.566 -6.246 1.00 0.00 H new ATOM 0 HA SER A 3 11.927 11.342 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.035 12.114 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.697 10.501 -5.758 1.00 0.00 H new ATOM 0 HG SER A 3 9.705 11.683 -3.763 1.00 0.00 H new ATOM 30 N GLY A 4 11.201 11.900 -9.190 1.00 0.00 N ATOM 31 CA GLY A 4 10.833 11.528 -10.543 1.00 0.00 C ATOM 32 C GLY A 4 11.879 10.657 -11.210 1.00 0.00 C ATOM 33 O GLY A 4 13.078 10.876 -11.041 1.00 0.00 O ATOM 0 H GLY A 4 11.990 12.543 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.881 10.997 -10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.684 12.430 -11.137 1.00 0.00 H new ATOM 37 N SER A 5 11.425 9.664 -11.968 1.00 0.00 N ATOM 38 CA SER A 5 12.330 8.753 -12.658 1.00 0.00 C ATOM 39 C SER A 5 13.378 8.198 -11.698 1.00 0.00 C ATOM 40 O SER A 5 14.550 8.066 -12.050 1.00 0.00 O ATOM 41 CB SER A 5 13.018 9.469 -13.823 1.00 0.00 C ATOM 42 OG SER A 5 12.129 9.638 -14.914 1.00 0.00 O ATOM 0 H SER A 5 10.435 9.470 -12.120 1.00 0.00 H new ATOM 0 HA SER A 5 11.742 7.922 -13.047 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.382 10.442 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.888 8.896 -14.144 1.00 0.00 H new ATOM 0 HG SER A 5 12.592 10.099 -15.645 1.00 0.00 H new ATOM 48 N SER A 6 12.946 7.874 -10.484 1.00 0.00 N ATOM 49 CA SER A 6 13.846 7.336 -9.471 1.00 0.00 C ATOM 50 C SER A 6 13.199 6.166 -8.736 1.00 0.00 C ATOM 51 O SER A 6 12.238 6.342 -7.988 1.00 0.00 O ATOM 52 CB SER A 6 14.235 8.428 -8.472 1.00 0.00 C ATOM 53 OG SER A 6 13.103 8.887 -7.752 1.00 0.00 O ATOM 0 H SER A 6 11.978 7.975 -10.178 1.00 0.00 H new ATOM 0 HA SER A 6 14.744 6.976 -9.973 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.980 8.041 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.696 9.262 -9.001 1.00 0.00 H new ATOM 0 HG SER A 6 12.401 8.203 -7.775 1.00 0.00 H new ATOM 59 N GLY A 7 13.735 4.969 -8.954 1.00 0.00 N ATOM 60 CA GLY A 7 13.198 3.786 -8.307 1.00 0.00 C ATOM 61 C GLY A 7 14.192 3.143 -7.360 1.00 0.00 C ATOM 62 O GLY A 7 15.348 2.924 -7.718 1.00 0.00 O ATOM 0 H GLY A 7 14.532 4.797 -9.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.297 4.054 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.903 3.062 -9.067 1.00 0.00 H new ATOM 66 N GLU A 8 13.740 2.840 -6.147 1.00 0.00 N ATOM 67 CA GLU A 8 14.599 2.220 -5.145 1.00 0.00 C ATOM 68 C GLU A 8 13.797 1.286 -4.243 1.00 0.00 C ATOM 69 O GLU A 8 12.643 1.563 -3.914 1.00 0.00 O ATOM 70 CB GLU A 8 15.291 3.292 -4.301 1.00 0.00 C ATOM 71 CG GLU A 8 16.623 3.749 -4.870 1.00 0.00 C ATOM 72 CD GLU A 8 17.263 4.850 -4.047 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.668 5.945 -3.957 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.358 4.618 -3.493 1.00 0.00 O ATOM 0 H GLU A 8 12.785 3.014 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 8 15.356 1.633 -5.665 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.630 4.154 -4.210 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.449 2.904 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.302 2.898 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.476 4.102 -5.891 1.00 0.00 H new ATOM 81 N HIS A 9 14.416 0.179 -3.847 1.00 0.00 N ATOM 82 CA HIS A 9 13.761 -0.796 -2.983 1.00 0.00 C ATOM 83 C HIS A 9 14.473 -0.895 -1.637 1.00 0.00 C ATOM 84 O HIS A 9 15.636 -1.293 -1.566 1.00 0.00 O ATOM 85 CB HIS A 9 13.729 -2.168 -3.658 1.00 0.00 C ATOM 86 CG HIS A 9 15.018 -2.923 -3.542 1.00 0.00 C ATOM 87 ND1 HIS A 9 16.067 -2.761 -4.422 1.00 0.00 N ATOM 88 CD2 HIS A 9 15.424 -3.847 -2.640 1.00 0.00 C ATOM 89 CE1 HIS A 9 17.062 -3.555 -4.068 1.00 0.00 C ATOM 90 NE2 HIS A 9 16.697 -4.224 -2.989 1.00 0.00 N ATOM 0 H HIS A 9 15.371 -0.065 -4.111 1.00 0.00 H new ATOM 0 HA HIS A 9 12.738 -0.461 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.929 -2.762 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 9 13.486 -2.039 -4.713 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.853 -4.218 -1.802 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.012 -3.642 -4.574 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.268 -4.910 -2.495 1.00 0.00 H new ATOM 99 N GLY A 10 13.768 -0.530 -0.571 1.00 0.00 N ATOM 100 CA GLY A 10 14.349 -0.584 0.758 1.00 0.00 C ATOM 101 C GLY A 10 14.091 0.678 1.556 1.00 0.00 C ATOM 102 O GLY A 10 13.678 0.616 2.715 1.00 0.00 O ATOM 0 H GLY A 10 12.804 -0.198 -0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.940 -1.440 1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.424 -0.744 0.675 1.00 0.00 H new ATOM 106 N LEU A 11 14.335 1.828 0.936 1.00 0.00 N ATOM 107 CA LEU A 11 14.128 3.112 1.597 1.00 0.00 C ATOM 108 C LEU A 11 12.666 3.291 1.993 1.00 0.00 C ATOM 109 O LEU A 11 12.330 4.172 2.786 1.00 0.00 O ATOM 110 CB LEU A 11 14.563 4.256 0.679 1.00 0.00 C ATOM 111 CG LEU A 11 13.471 4.859 -0.205 1.00 0.00 C ATOM 112 CD1 LEU A 11 12.743 3.768 -0.974 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.492 5.668 0.633 1.00 0.00 C ATOM 0 H LEU A 11 14.676 1.897 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 11 14.735 3.129 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.983 5.050 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.365 3.894 0.036 1.00 0.00 H new ATOM 0 HG LEU A 11 13.942 5.529 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.970 4.217 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.452 3.232 -1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.284 3.072 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.722 6.090 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.027 5.020 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.024 6.475 1.137 1.00 0.00 H new ATOM 125 N LEU A 12 11.801 2.449 1.439 1.00 0.00 N ATOM 126 CA LEU A 12 10.374 2.512 1.736 1.00 0.00 C ATOM 127 C LEU A 12 10.138 2.800 3.215 1.00 0.00 C ATOM 128 O LEU A 12 9.462 3.766 3.570 1.00 0.00 O ATOM 129 CB LEU A 12 9.694 1.199 1.346 1.00 0.00 C ATOM 130 CG LEU A 12 9.159 1.119 -0.084 1.00 0.00 C ATOM 131 CD1 LEU A 12 8.049 2.137 -0.297 1.00 0.00 C ATOM 132 CD2 LEU A 12 10.283 1.335 -1.087 1.00 0.00 C ATOM 0 H LEU A 12 12.063 1.714 0.782 1.00 0.00 H new ATOM 0 HA LEU A 12 9.942 3.325 1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.406 0.387 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.866 1.024 2.033 1.00 0.00 H new ATOM 0 HG LEU A 12 8.745 0.123 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.681 2.065 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.233 1.936 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.437 3.140 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.884 1.275 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.727 2.318 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.045 0.567 -0.951 1.00 0.00 H new ATOM 144 N VAL A 13 10.702 1.957 4.075 1.00 0.00 N ATOM 145 CA VAL A 13 10.556 2.124 5.516 1.00 0.00 C ATOM 146 C VAL A 13 11.193 3.427 5.986 1.00 0.00 C ATOM 147 O VAL A 13 10.588 4.188 6.742 1.00 0.00 O ATOM 148 CB VAL A 13 11.192 0.949 6.283 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.461 -0.349 5.974 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.671 0.831 5.947 1.00 0.00 C ATOM 0 H VAL A 13 11.264 1.152 3.798 1.00 0.00 H new ATOM 0 HA VAL A 13 9.487 2.150 5.725 1.00 0.00 H new ATOM 0 HB VAL A 13 11.101 1.144 7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.924 -1.168 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.416 -0.258 6.271 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.518 -0.553 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.104 -0.004 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.788 0.660 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.182 1.753 6.225 1.00 0.00 H new ATOM 160 N HIS A 14 12.416 3.679 5.533 1.00 0.00 N ATOM 161 CA HIS A 14 13.135 4.892 5.906 1.00 0.00 C ATOM 162 C HIS A 14 12.244 6.120 5.753 1.00 0.00 C ATOM 163 O HIS A 14 12.320 7.059 6.546 1.00 0.00 O ATOM 164 CB HIS A 14 14.392 5.049 5.050 1.00 0.00 C ATOM 165 CG HIS A 14 15.383 3.940 5.231 1.00 0.00 C ATOM 166 ND1 HIS A 14 16.301 3.586 4.265 1.00 0.00 N ATOM 167 CD2 HIS A 14 15.597 3.106 6.275 1.00 0.00 C ATOM 168 CE1 HIS A 14 17.035 2.581 4.707 1.00 0.00 C ATOM 169 NE2 HIS A 14 16.629 2.271 5.925 1.00 0.00 N ATOM 0 H HIS A 14 12.930 3.060 4.907 1.00 0.00 H new ATOM 0 HA HIS A 14 13.426 4.805 6.953 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.103 5.099 4.000 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.872 5.997 5.294 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.056 3.099 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.832 2.095 4.164 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.019 1.532 6.510 1.00 0.00 H new ATOM 178 N LYS A 15 11.399 6.108 4.727 1.00 0.00 N ATOM 179 CA LYS A 15 10.493 7.221 4.469 1.00 0.00 C ATOM 180 C LYS A 15 9.071 6.875 4.902 1.00 0.00 C ATOM 181 O LYS A 15 8.514 5.861 4.484 1.00 0.00 O ATOM 182 CB LYS A 15 10.510 7.585 2.983 1.00 0.00 C ATOM 183 CG LYS A 15 9.498 8.654 2.607 1.00 0.00 C ATOM 184 CD LYS A 15 9.122 8.572 1.137 1.00 0.00 C ATOM 185 CE LYS A 15 8.253 9.748 0.718 1.00 0.00 C ATOM 186 NZ LYS A 15 8.067 9.803 -0.758 1.00 0.00 N ATOM 0 H LYS A 15 11.323 5.339 4.061 1.00 0.00 H new ATOM 0 HA LYS A 15 10.834 8.078 5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.508 7.931 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.314 6.688 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.603 8.541 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.910 9.639 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.027 8.552 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.590 7.640 0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.280 9.672 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.709 10.677 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.111 10.151 -0.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.772 10.446 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.188 8.851 -1.159 1.00 0.00 H new ATOM 200 N ALA A 16 8.489 7.727 5.739 1.00 0.00 N ATOM 201 CA ALA A 16 7.132 7.514 6.225 1.00 0.00 C ATOM 202 C ALA A 16 6.194 7.133 5.085 1.00 0.00 C ATOM 203 O ALA A 16 6.403 7.528 3.938 1.00 0.00 O ATOM 204 CB ALA A 16 6.624 8.760 6.936 1.00 0.00 C ATOM 0 H ALA A 16 8.937 8.572 6.095 1.00 0.00 H new ATOM 0 HA ALA A 16 7.152 6.687 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.609 8.586 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.273 8.986 7.782 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.625 9.601 6.242 1.00 0.00 H new ATOM 210 N VAL A 17 5.160 6.363 5.407 1.00 0.00 N ATOM 211 CA VAL A 17 4.189 5.929 4.409 1.00 0.00 C ATOM 212 C VAL A 17 3.238 7.062 4.040 1.00 0.00 C ATOM 213 O VAL A 17 2.771 7.148 2.904 1.00 0.00 O ATOM 214 CB VAL A 17 3.368 4.727 4.911 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.288 4.360 3.904 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.277 3.539 5.185 1.00 0.00 C ATOM 0 H VAL A 17 4.973 6.027 6.352 1.00 0.00 H new ATOM 0 HA VAL A 17 4.754 5.630 3.526 1.00 0.00 H new ATOM 0 HB VAL A 17 2.881 5.007 5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.718 3.509 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.620 5.209 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.751 4.099 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.680 2.698 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.793 3.257 4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.010 3.809 5.945 1.00 0.00 H new ATOM 226 N ASP A 18 2.954 7.928 5.006 1.00 0.00 N ATOM 227 CA ASP A 18 2.059 9.057 4.782 1.00 0.00 C ATOM 228 C ASP A 18 2.707 10.092 3.868 1.00 0.00 C ATOM 229 O ASP A 18 2.103 11.114 3.542 1.00 0.00 O ATOM 230 CB ASP A 18 1.677 9.704 6.115 1.00 0.00 C ATOM 231 CG ASP A 18 2.752 10.638 6.634 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.829 10.143 7.025 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.516 11.865 6.650 1.00 0.00 O ATOM 0 H ASP A 18 3.331 7.870 5.952 1.00 0.00 H new ATOM 0 HA ASP A 18 1.158 8.683 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.746 10.258 5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.490 8.924 6.853 1.00 0.00 H new ATOM 238 N LYS A 19 3.941 9.820 3.457 1.00 0.00 N ATOM 239 CA LYS A 19 4.673 10.726 2.579 1.00 0.00 C ATOM 240 C LYS A 19 4.926 10.081 1.220 1.00 0.00 C ATOM 241 O LYS A 19 5.482 10.709 0.319 1.00 0.00 O ATOM 242 CB LYS A 19 6.003 11.126 3.221 1.00 0.00 C ATOM 243 CG LYS A 19 5.912 12.374 4.082 1.00 0.00 C ATOM 244 CD LYS A 19 5.109 12.122 5.347 1.00 0.00 C ATOM 245 CE LYS A 19 5.473 13.110 6.444 1.00 0.00 C ATOM 246 NZ LYS A 19 6.785 12.787 7.069 1.00 0.00 N ATOM 0 H LYS A 19 4.456 8.979 3.718 1.00 0.00 H new ATOM 0 HA LYS A 19 4.065 11.618 2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.365 10.299 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.741 11.290 2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.915 12.708 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.449 13.178 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.045 12.199 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.289 11.106 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.507 14.117 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.696 13.106 7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.927 13.386 7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.798 11.786 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.548 12.963 6.385 1.00 0.00 H new ATOM 260 N TRP A 20 4.511 8.827 1.079 1.00 0.00 N ATOM 261 CA TRP A 20 4.692 8.099 -0.171 1.00 0.00 C ATOM 262 C TRP A 20 3.883 8.737 -1.295 1.00 0.00 C ATOM 263 O TRP A 20 2.945 9.496 -1.045 1.00 0.00 O ATOM 264 CB TRP A 20 4.281 6.636 0.003 1.00 0.00 C ATOM 265 CG TRP A 20 5.181 5.872 0.926 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.207 6.375 1.673 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.136 4.467 1.198 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.803 5.368 2.393 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.164 4.188 2.119 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.326 3.418 0.754 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.402 2.904 2.603 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.564 2.144 1.234 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.594 1.896 2.151 1.00 0.00 C ATOM 0 H TRP A 20 4.047 8.294 1.815 1.00 0.00 H new ATOM 0 HA TRP A 20 5.748 8.143 -0.439 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.261 6.596 0.386 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.275 6.149 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.506 7.412 1.695 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.593 5.481 3.028 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.529 3.600 0.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.196 2.711 3.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.945 1.326 0.896 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.753 0.889 2.508 1.00 0.00 H new ATOM 284 N THR A 21 4.249 8.425 -2.534 1.00 0.00 N ATOM 285 CA THR A 21 3.558 8.969 -3.696 1.00 0.00 C ATOM 286 C THR A 21 2.765 7.888 -4.420 1.00 0.00 C ATOM 287 O THR A 21 3.052 6.697 -4.287 1.00 0.00 O ATOM 288 CB THR A 21 4.545 9.616 -4.686 1.00 0.00 C ATOM 289 OG1 THR A 21 5.631 8.721 -4.949 1.00 0.00 O ATOM 290 CG2 THR A 21 5.084 10.927 -4.133 1.00 0.00 C ATOM 0 H THR A 21 5.021 7.798 -2.759 1.00 0.00 H new ATOM 0 HA THR A 21 2.873 9.732 -3.327 1.00 0.00 H new ATOM 0 HB THR A 21 4.012 9.823 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.253 9.138 -5.580 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.779 11.366 -4.849 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.257 11.616 -3.960 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.602 10.739 -3.193 1.00 0.00 H new ATOM 298 N THR A 22 1.765 8.308 -5.189 1.00 0.00 N ATOM 299 CA THR A 22 0.930 7.374 -5.935 1.00 0.00 C ATOM 300 C THR A 22 1.770 6.271 -6.569 1.00 0.00 C ATOM 301 O THR A 22 1.269 5.184 -6.854 1.00 0.00 O ATOM 302 CB THR A 22 0.131 8.094 -7.038 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.363 9.345 -6.548 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.032 7.234 -7.511 1.00 0.00 C ATOM 0 H THR A 22 1.514 9.289 -5.312 1.00 0.00 H new ATOM 0 HA THR A 22 0.234 6.932 -5.222 1.00 0.00 H new ATOM 0 HB THR A 22 0.798 8.273 -7.882 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.868 9.797 -7.256 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.582 7.762 -8.290 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.651 6.294 -7.910 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.697 7.029 -6.672 1.00 0.00 H new ATOM 312 N GLU A 23 3.050 6.559 -6.787 1.00 0.00 N ATOM 313 CA GLU A 23 3.958 5.590 -7.388 1.00 0.00 C ATOM 314 C GLU A 23 4.478 4.609 -6.341 1.00 0.00 C ATOM 315 O GLU A 23 4.336 3.395 -6.488 1.00 0.00 O ATOM 316 CB GLU A 23 5.132 6.306 -8.059 1.00 0.00 C ATOM 317 CG GLU A 23 5.730 5.535 -9.224 1.00 0.00 C ATOM 318 CD GLU A 23 6.746 6.348 -10.002 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.863 6.555 -9.485 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.422 6.778 -11.129 1.00 0.00 O ATOM 0 H GLU A 23 3.480 7.455 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 23 3.404 5.030 -8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.797 7.281 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.909 6.486 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.206 4.629 -8.849 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.931 5.221 -9.895 1.00 0.00 H new ATOM 327 N GLU A 24 5.080 5.145 -5.283 1.00 0.00 N ATOM 328 CA GLU A 24 5.622 4.317 -4.213 1.00 0.00 C ATOM 329 C GLU A 24 4.544 3.408 -3.629 1.00 0.00 C ATOM 330 O GLU A 24 4.768 2.216 -3.419 1.00 0.00 O ATOM 331 CB GLU A 24 6.216 5.195 -3.109 1.00 0.00 C ATOM 332 CG GLU A 24 7.596 5.738 -3.441 1.00 0.00 C ATOM 333 CD GLU A 24 8.711 4.828 -2.965 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.893 3.749 -3.568 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.402 5.193 -1.991 1.00 0.00 O ATOM 0 H GLU A 24 5.204 6.148 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 24 6.410 3.693 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.542 6.030 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.274 4.616 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.679 5.874 -4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.715 6.721 -2.985 1.00 0.00 H new ATOM 342 N VAL A 25 3.373 3.980 -3.369 1.00 0.00 N ATOM 343 CA VAL A 25 2.259 3.223 -2.810 1.00 0.00 C ATOM 344 C VAL A 25 2.071 1.900 -3.544 1.00 0.00 C ATOM 345 O VAL A 25 1.933 0.847 -2.922 1.00 0.00 O ATOM 346 CB VAL A 25 0.946 4.025 -2.875 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.210 3.203 -2.329 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.085 5.336 -2.116 1.00 0.00 C ATOM 0 H VAL A 25 3.171 4.966 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 25 2.503 3.025 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 25 0.733 4.257 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.129 3.787 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.322 2.294 -2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.009 2.938 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.148 5.890 -2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.322 5.129 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.885 5.930 -2.559 1.00 0.00 H new ATOM 358 N VAL A 26 2.067 1.962 -4.872 1.00 0.00 N ATOM 359 CA VAL A 26 1.897 0.769 -5.692 1.00 0.00 C ATOM 360 C VAL A 26 3.134 -0.120 -5.632 1.00 0.00 C ATOM 361 O VAL A 26 3.034 -1.347 -5.677 1.00 0.00 O ATOM 362 CB VAL A 26 1.611 1.133 -7.161 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.435 -0.124 -7.999 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.382 2.025 -7.259 1.00 0.00 C ATOM 0 H VAL A 26 2.180 2.826 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 26 1.043 0.226 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 26 2.465 1.685 -7.553 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.234 0.154 -9.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.345 -0.722 -7.954 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.599 -0.706 -7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.194 2.273 -8.304 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.482 1.501 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.552 2.941 -6.694 1.00 0.00 H new ATOM 374 N LEU A 27 4.301 0.506 -5.530 1.00 0.00 N ATOM 375 CA LEU A 27 5.560 -0.228 -5.463 1.00 0.00 C ATOM 376 C LEU A 27 5.610 -1.111 -4.220 1.00 0.00 C ATOM 377 O LEU A 27 5.836 -2.317 -4.313 1.00 0.00 O ATOM 378 CB LEU A 27 6.741 0.745 -5.459 1.00 0.00 C ATOM 379 CG LEU A 27 7.305 1.121 -6.830 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.472 2.084 -6.681 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.733 -0.126 -7.590 1.00 0.00 C ATOM 0 H LEU A 27 4.402 1.520 -5.492 1.00 0.00 H new ATOM 0 HA LEU A 27 5.627 -0.867 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.431 1.659 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.544 0.308 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 27 6.521 1.619 -7.401 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.860 2.340 -7.667 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.134 2.990 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.259 1.613 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.132 0.160 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.501 -0.652 -7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.873 -0.781 -7.729 1.00 0.00 H new ATOM 393 N TRP A 28 5.396 -0.502 -3.059 1.00 0.00 N ATOM 394 CA TRP A 28 5.415 -1.233 -1.798 1.00 0.00 C ATOM 395 C TRP A 28 4.407 -2.377 -1.817 1.00 0.00 C ATOM 396 O TRP A 28 4.687 -3.473 -1.329 1.00 0.00 O ATOM 397 CB TRP A 28 5.112 -0.290 -0.633 1.00 0.00 C ATOM 398 CG TRP A 28 4.674 -1.003 0.611 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.478 -1.590 1.545 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.327 -1.205 1.053 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.713 -2.146 2.542 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.390 -1.922 2.264 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.075 -0.848 0.546 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.249 -2.289 2.972 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.943 -1.213 1.250 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.036 -1.926 2.452 1.00 0.00 C ATOM 0 H TRP A 28 5.207 0.496 -2.965 1.00 0.00 H new ATOM 0 HA TRP A 28 6.412 -1.654 -1.666 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.002 0.299 -0.411 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.333 0.410 -0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.557 -1.614 1.506 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.072 -2.644 3.356 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.993 -0.297 -0.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.318 -2.840 3.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.030 -0.944 0.867 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.132 -2.195 2.979 1.00 0.00 H new ATOM 417 N LEU A 29 3.234 -2.117 -2.383 1.00 0.00 N ATOM 418 CA LEU A 29 2.184 -3.126 -2.466 1.00 0.00 C ATOM 419 C LEU A 29 2.508 -4.163 -3.537 1.00 0.00 C ATOM 420 O LEU A 29 2.082 -5.314 -3.449 1.00 0.00 O ATOM 421 CB LEU A 29 0.838 -2.466 -2.770 1.00 0.00 C ATOM 422 CG LEU A 29 -0.306 -3.412 -3.138 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.928 -4.009 -1.885 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.357 -2.683 -3.962 1.00 0.00 C ATOM 0 H LEU A 29 2.986 -1.216 -2.791 1.00 0.00 H new ATOM 0 HA LEU A 29 2.124 -3.632 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.536 -1.885 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.978 -1.762 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 29 0.099 -4.225 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.740 -4.679 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.171 -4.567 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.319 -3.209 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.163 -3.372 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.759 -1.850 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.903 -2.304 -4.878 1.00 0.00 H new ATOM 436 N GLU A 30 3.266 -3.746 -4.547 1.00 0.00 N ATOM 437 CA GLU A 30 3.649 -4.639 -5.634 1.00 0.00 C ATOM 438 C GLU A 30 4.776 -5.572 -5.201 1.00 0.00 C ATOM 439 O GLU A 30 5.322 -6.320 -6.011 1.00 0.00 O ATOM 440 CB GLU A 30 4.083 -3.832 -6.859 1.00 0.00 C ATOM 441 CG GLU A 30 2.932 -3.448 -7.774 1.00 0.00 C ATOM 442 CD GLU A 30 3.404 -2.940 -9.123 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.495 -2.335 -9.179 1.00 0.00 O ATOM 444 OE2 GLU A 30 2.683 -3.147 -10.121 1.00 0.00 O ATOM 0 H GLU A 30 3.627 -2.796 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 30 2.780 -5.243 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.589 -2.926 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.810 -4.413 -7.427 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.286 -4.313 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.330 -2.679 -7.291 1.00 0.00 H new ATOM 451 N GLN A 31 5.117 -5.522 -3.917 1.00 0.00 N ATOM 452 CA GLN A 31 6.180 -6.361 -3.376 1.00 0.00 C ATOM 453 C GLN A 31 5.610 -7.435 -2.455 1.00 0.00 C ATOM 454 O GLN A 31 6.203 -8.501 -2.285 1.00 0.00 O ATOM 455 CB GLN A 31 7.196 -5.507 -2.616 1.00 0.00 C ATOM 456 CG GLN A 31 8.182 -4.786 -3.520 1.00 0.00 C ATOM 457 CD GLN A 31 9.139 -3.898 -2.749 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.695 -2.690 -2.424 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.266 -4.294 -2.448 1.00 0.00 N flip ATOM 0 H GLN A 31 4.673 -4.910 -3.233 1.00 0.00 H new ATOM 0 HA GLN A 31 6.681 -6.852 -4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.662 -4.771 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.748 -6.143 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.752 -5.521 -4.088 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.633 -4.181 -4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.567 -5.231 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.899 -3.685 -1.929 1.00 0.00 H new ATOM 468 N LEU A 32 4.456 -7.148 -1.863 1.00 0.00 N ATOM 469 CA LEU A 32 3.805 -8.089 -0.959 1.00 0.00 C ATOM 470 C LEU A 32 3.371 -9.348 -1.703 1.00 0.00 C ATOM 471 O LEU A 32 3.306 -10.432 -1.124 1.00 0.00 O ATOM 472 CB LEU A 32 2.593 -7.433 -0.294 1.00 0.00 C ATOM 473 CG LEU A 32 2.739 -5.952 0.055 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.519 -5.460 0.817 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.006 -5.716 0.864 1.00 0.00 C ATOM 0 H LEU A 32 3.952 -6.271 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 32 4.524 -8.373 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.735 -7.547 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.365 -7.980 0.621 1.00 0.00 H new ATOM 0 HG LEU A 32 2.814 -5.386 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.641 -4.404 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.629 -5.592 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.411 -6.031 1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.093 -4.656 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.961 -6.294 1.787 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.873 -6.029 0.282 1.00 0.00 H new ATOM 487 N GLY A 33 3.078 -9.197 -2.991 1.00 0.00 N ATOM 488 CA GLY A 33 2.656 -10.330 -3.793 1.00 0.00 C ATOM 489 C GLY A 33 2.324 -9.939 -5.219 1.00 0.00 C ATOM 490 O GLY A 33 2.146 -8.763 -5.538 1.00 0.00 O ATOM 0 H GLY A 33 3.125 -8.310 -3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.446 -11.081 -3.800 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.782 -10.791 -3.333 1.00 0.00 H new ATOM 494 N PRO A 34 2.237 -10.940 -6.107 1.00 0.00 N ATOM 495 CA PRO A 34 1.924 -10.719 -7.522 1.00 0.00 C ATOM 496 C PRO A 34 0.481 -10.275 -7.734 1.00 0.00 C ATOM 497 O PRO A 34 0.154 -9.662 -8.751 1.00 0.00 O ATOM 498 CB PRO A 34 2.160 -12.092 -8.156 1.00 0.00 C ATOM 499 CG PRO A 34 1.962 -13.063 -7.043 1.00 0.00 C ATOM 500 CD PRO A 34 2.436 -12.366 -5.798 1.00 0.00 C ATOM 0 HA PRO A 34 2.532 -9.924 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.461 -12.277 -8.972 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.164 -12.168 -8.574 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.914 -13.348 -6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.528 -13.978 -7.218 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.862 -12.671 -4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.482 -12.589 -5.586 1.00 0.00 H new ATOM 508 N TRP A 35 -0.377 -10.587 -6.770 1.00 0.00 N ATOM 509 CA TRP A 35 -1.786 -10.219 -6.852 1.00 0.00 C ATOM 510 C TRP A 35 -1.961 -8.709 -6.746 1.00 0.00 C ATOM 511 O TRP A 35 -3.014 -8.171 -7.087 1.00 0.00 O ATOM 512 CB TRP A 35 -2.581 -10.917 -5.747 1.00 0.00 C ATOM 513 CG TRP A 35 -1.898 -10.887 -4.414 1.00 0.00 C ATOM 514 CD1 TRP A 35 -1.221 -11.912 -3.817 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.826 -9.777 -3.512 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.733 -11.506 -2.598 1.00 0.00 N ATOM 517 CE2 TRP A 35 -1.090 -10.200 -2.388 1.00 0.00 C ATOM 518 CE3 TRP A 35 -2.311 -8.467 -3.545 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.830 -9.359 -1.309 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -2.052 -7.633 -2.474 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.316 -8.082 -1.368 1.00 0.00 C ATOM 0 H TRP A 35 -0.122 -11.094 -5.922 1.00 0.00 H new ATOM 0 HA TRP A 35 -2.165 -10.542 -7.822 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.558 -10.442 -5.657 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.755 -11.954 -6.034 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -1.089 -12.897 -4.240 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.193 -12.083 -1.954 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.878 -8.112 -4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.264 -9.703 -0.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.423 -6.619 -2.489 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.129 -7.406 -0.547 1.00 0.00 H new ATOM 532 N ALA A 36 -0.923 -8.029 -6.270 1.00 0.00 N ATOM 533 CA ALA A 36 -0.962 -6.579 -6.121 1.00 0.00 C ATOM 534 C ALA A 36 -1.244 -5.898 -7.456 1.00 0.00 C ATOM 535 O ALA A 36 -1.880 -4.845 -7.504 1.00 0.00 O ATOM 536 CB ALA A 36 0.347 -6.074 -5.534 1.00 0.00 C ATOM 0 H ALA A 36 -0.044 -8.459 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.774 -6.330 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.304 -4.990 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.506 -6.528 -4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.170 -6.342 -6.197 1.00 0.00 H new ATOM 542 N SER A 37 -0.765 -6.505 -8.537 1.00 0.00 N ATOM 543 CA SER A 37 -0.962 -5.953 -9.873 1.00 0.00 C ATOM 544 C SER A 37 -2.441 -5.955 -10.249 1.00 0.00 C ATOM 545 O SER A 37 -2.845 -5.329 -11.230 1.00 0.00 O ATOM 546 CB SER A 37 -0.161 -6.754 -10.901 1.00 0.00 C ATOM 547 OG SER A 37 0.210 -5.944 -12.003 1.00 0.00 O ATOM 0 H SER A 37 -0.238 -7.378 -8.514 1.00 0.00 H new ATOM 0 HA SER A 37 -0.608 -4.922 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.732 -7.165 -10.431 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.754 -7.599 -11.250 1.00 0.00 H new ATOM 0 HG SER A 37 0.722 -6.479 -12.645 1.00 0.00 H new ATOM 553 N LEU A 38 -3.243 -6.664 -9.463 1.00 0.00 N ATOM 554 CA LEU A 38 -4.678 -6.749 -9.712 1.00 0.00 C ATOM 555 C LEU A 38 -5.415 -5.585 -9.057 1.00 0.00 C ATOM 556 O LEU A 38 -6.588 -5.341 -9.340 1.00 0.00 O ATOM 557 CB LEU A 38 -5.229 -8.076 -9.187 1.00 0.00 C ATOM 558 CG LEU A 38 -4.568 -9.341 -9.735 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.646 -10.468 -8.718 1.00 0.00 C ATOM 560 CD2 LEU A 38 -5.218 -9.758 -11.047 1.00 0.00 C ATOM 0 H LEU A 38 -2.925 -7.188 -8.648 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.838 -6.696 -10.789 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.134 -8.082 -8.101 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.294 -8.119 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.517 -9.124 -9.926 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.170 -11.360 -9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.133 -10.169 -7.804 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.691 -10.684 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.735 -10.660 -11.422 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.277 -9.956 -10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.108 -8.957 -11.778 1.00 0.00 H new ATOM 572 N TYR A 39 -4.717 -4.868 -8.182 1.00 0.00 N ATOM 573 CA TYR A 39 -5.305 -3.730 -7.487 1.00 0.00 C ATOM 574 C TYR A 39 -4.562 -2.441 -7.827 1.00 0.00 C ATOM 575 O TYR A 39 -5.085 -1.342 -7.642 1.00 0.00 O ATOM 576 CB TYR A 39 -5.281 -3.961 -5.975 1.00 0.00 C ATOM 577 CG TYR A 39 -6.006 -5.215 -5.543 1.00 0.00 C ATOM 578 CD1 TYR A 39 -7.360 -5.187 -5.233 1.00 0.00 C ATOM 579 CD2 TYR A 39 -5.337 -6.429 -5.445 1.00 0.00 C ATOM 580 CE1 TYR A 39 -8.027 -6.330 -4.837 1.00 0.00 C ATOM 581 CE2 TYR A 39 -5.996 -7.578 -5.052 1.00 0.00 C ATOM 582 CZ TYR A 39 -7.341 -7.524 -4.748 1.00 0.00 C ATOM 583 OH TYR A 39 -8.001 -8.665 -4.356 1.00 0.00 O ATOM 0 H TYR A 39 -3.744 -5.055 -7.938 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.339 -3.630 -7.817 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.245 -4.017 -5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.731 -3.102 -5.477 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.901 -4.255 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.284 -6.475 -5.680 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -9.080 -6.289 -4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.461 -8.514 -4.983 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.624 -8.987 -3.511 1.00 0.00 H new ATOM 593 N ARG A 40 -3.339 -2.585 -8.326 1.00 0.00 N ATOM 594 CA ARG A 40 -2.523 -1.434 -8.692 1.00 0.00 C ATOM 595 C ARG A 40 -3.326 -0.442 -9.528 1.00 0.00 C ATOM 596 O ARG A 40 -3.294 0.764 -9.279 1.00 0.00 O ATOM 597 CB ARG A 40 -1.285 -1.886 -9.469 1.00 0.00 C ATOM 598 CG ARG A 40 -1.549 -2.134 -10.945 1.00 0.00 C ATOM 599 CD ARG A 40 -0.342 -2.756 -11.630 1.00 0.00 C ATOM 600 NE ARG A 40 -0.257 -2.377 -13.039 1.00 0.00 N ATOM 601 CZ ARG A 40 0.167 -1.190 -13.456 1.00 0.00 C ATOM 602 NH1 ARG A 40 0.542 -0.270 -12.579 1.00 0.00 N ATOM 603 NH2 ARG A 40 0.216 -0.921 -14.755 1.00 0.00 N ATOM 0 H ARG A 40 -2.891 -3.487 -8.486 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.207 -0.938 -7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.508 -1.128 -9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.898 -2.800 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.411 -2.792 -11.056 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.801 -1.193 -11.434 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.567 -2.445 -11.115 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.399 -3.842 -11.549 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.539 -3.062 -13.740 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.505 -0.473 -11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.867 0.641 -12.903 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.072 -1.626 -15.433 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.542 -0.009 -15.075 1.00 0.00 H new ATOM 617 N ASP A 41 -4.045 -0.956 -10.519 1.00 0.00 N ATOM 618 CA ASP A 41 -4.858 -0.116 -11.391 1.00 0.00 C ATOM 619 C ASP A 41 -5.710 0.850 -10.574 1.00 0.00 C ATOM 620 O ASP A 41 -5.839 2.025 -10.921 1.00 0.00 O ATOM 621 CB ASP A 41 -5.754 -0.981 -12.278 1.00 0.00 C ATOM 622 CG ASP A 41 -6.050 -0.328 -13.614 1.00 0.00 C ATOM 623 OD1 ASP A 41 -6.933 0.554 -13.660 1.00 0.00 O ATOM 624 OD2 ASP A 41 -5.398 -0.698 -14.612 1.00 0.00 O ATOM 0 H ASP A 41 -4.082 -1.951 -10.739 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.187 0.465 -12.024 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.272 -1.944 -12.446 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.691 -1.180 -11.758 1.00 0.00 H new ATOM 629 N ARG A 42 -6.290 0.348 -9.489 1.00 0.00 N ATOM 630 CA ARG A 42 -7.132 1.166 -8.624 1.00 0.00 C ATOM 631 C ARG A 42 -6.296 2.193 -7.866 1.00 0.00 C ATOM 632 O ARG A 42 -6.724 3.330 -7.664 1.00 0.00 O ATOM 633 CB ARG A 42 -7.895 0.283 -7.636 1.00 0.00 C ATOM 634 CG ARG A 42 -8.577 -0.910 -8.285 1.00 0.00 C ATOM 635 CD ARG A 42 -9.730 -1.423 -7.437 1.00 0.00 C ATOM 636 NE ARG A 42 -10.613 -2.308 -8.192 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.421 -1.890 -9.159 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.458 -0.607 -9.489 1.00 0.00 N ATOM 639 NH2 ARG A 42 -12.195 -2.757 -9.800 1.00 0.00 N ATOM 0 H ARG A 42 -6.192 -0.622 -9.188 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.847 1.697 -9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.204 -0.075 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.646 0.887 -7.127 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.947 -0.627 -9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.850 -1.709 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.335 -1.957 -6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.303 -0.578 -7.055 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.609 -3.302 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.865 0.063 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.080 -0.289 -10.232 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.169 -3.746 -9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.815 -2.435 -10.543 1.00 0.00 H new ATOM 653 N PHE A 43 -5.103 1.784 -7.447 1.00 0.00 N ATOM 654 CA PHE A 43 -4.208 2.668 -6.709 1.00 0.00 C ATOM 655 C PHE A 43 -3.814 3.874 -7.557 1.00 0.00 C ATOM 656 O PHE A 43 -3.810 5.009 -7.078 1.00 0.00 O ATOM 657 CB PHE A 43 -2.955 1.908 -6.269 1.00 0.00 C ATOM 658 CG PHE A 43 -3.173 1.038 -5.064 1.00 0.00 C ATOM 659 CD1 PHE A 43 -4.213 0.123 -5.034 1.00 0.00 C ATOM 660 CD2 PHE A 43 -2.339 1.136 -3.963 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.416 -0.678 -3.926 1.00 0.00 C ATOM 662 CE2 PHE A 43 -2.537 0.337 -2.852 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.577 -0.572 -2.834 1.00 0.00 C ATOM 0 H PHE A 43 -4.734 0.847 -7.606 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.737 3.025 -5.825 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.606 1.289 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.163 2.625 -6.051 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.872 0.035 -5.885 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.524 1.845 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.231 -1.387 -3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.880 0.423 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.734 -1.198 -1.968 1.00 0.00 H new ATOM 673 N LEU A 44 -3.482 3.620 -8.818 1.00 0.00 N ATOM 674 CA LEU A 44 -3.085 4.684 -9.733 1.00 0.00 C ATOM 675 C LEU A 44 -4.293 5.507 -10.167 1.00 0.00 C ATOM 676 O LEU A 44 -4.314 6.728 -10.011 1.00 0.00 O ATOM 677 CB LEU A 44 -2.388 4.094 -10.961 1.00 0.00 C ATOM 678 CG LEU A 44 -1.005 3.488 -10.720 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.134 4.446 -9.923 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.126 2.151 -10.003 1.00 0.00 C ATOM 0 H LEU A 44 -3.480 2.687 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.390 5.340 -9.209 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.032 3.323 -11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.293 4.878 -11.712 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.531 3.317 -11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.846 3.998 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.020 5.379 -10.475 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.603 4.649 -8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.132 1.734 -9.840 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.621 2.297 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.712 1.463 -10.612 1.00 0.00 H new ATOM 692 N SER A 45 -5.299 4.831 -10.712 1.00 0.00 N ATOM 693 CA SER A 45 -6.511 5.500 -11.170 1.00 0.00 C ATOM 694 C SER A 45 -7.073 6.412 -10.083 1.00 0.00 C ATOM 695 O SER A 45 -7.338 7.589 -10.322 1.00 0.00 O ATOM 696 CB SER A 45 -7.564 4.469 -11.581 1.00 0.00 C ATOM 697 OG SER A 45 -8.416 4.984 -12.590 1.00 0.00 O ATOM 0 H SER A 45 -5.299 3.820 -10.847 1.00 0.00 H new ATOM 0 HA SER A 45 -6.254 6.111 -12.035 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.072 3.566 -11.942 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.156 4.183 -10.712 1.00 0.00 H new ATOM 0 HG SER A 45 -9.079 4.305 -12.836 1.00 0.00 H new ATOM 703 N GLU A 46 -7.250 5.857 -8.888 1.00 0.00 N ATOM 704 CA GLU A 46 -7.780 6.620 -7.764 1.00 0.00 C ATOM 705 C GLU A 46 -6.688 7.467 -7.117 1.00 0.00 C ATOM 706 O GLU A 46 -6.871 8.006 -6.026 1.00 0.00 O ATOM 707 CB GLU A 46 -8.394 5.679 -6.725 1.00 0.00 C ATOM 708 CG GLU A 46 -9.662 4.990 -7.201 1.00 0.00 C ATOM 709 CD GLU A 46 -10.789 5.967 -7.473 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.831 6.528 -8.588 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.630 6.170 -6.572 1.00 0.00 O ATOM 0 H GLU A 46 -7.035 4.883 -8.674 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.555 7.286 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.659 4.921 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.616 6.245 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.446 4.428 -8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.984 4.270 -6.449 1.00 0.00 H new ATOM 718 N ARG A 47 -5.553 7.578 -7.799 1.00 0.00 N ATOM 719 CA ARG A 47 -4.430 8.358 -7.291 1.00 0.00 C ATOM 720 C ARG A 47 -4.204 8.081 -5.807 1.00 0.00 C ATOM 721 O ARG A 47 -3.830 8.976 -5.048 1.00 0.00 O ATOM 722 CB ARG A 47 -4.678 9.851 -7.511 1.00 0.00 C ATOM 723 CG ARG A 47 -4.865 10.229 -8.971 1.00 0.00 C ATOM 724 CD ARG A 47 -3.536 10.272 -9.710 1.00 0.00 C ATOM 725 NE ARG A 47 -3.558 11.220 -10.820 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.492 11.514 -11.557 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.327 10.936 -11.302 1.00 0.00 N ATOM 728 NH2 ARG A 47 -2.592 12.387 -12.551 1.00 0.00 N ATOM 0 H ARG A 47 -5.386 7.138 -8.704 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.536 8.061 -7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.564 10.150 -6.951 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.838 10.414 -7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.527 9.509 -9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.351 11.203 -9.037 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.743 10.547 -9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.299 9.277 -10.087 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.440 11.682 -11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.247 10.264 -10.539 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.510 11.163 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.488 12.833 -12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.773 12.612 -13.116 1.00 0.00 H new ATOM 742 N VAL A 48 -4.433 6.837 -5.400 1.00 0.00 N ATOM 743 CA VAL A 48 -4.254 6.442 -4.008 1.00 0.00 C ATOM 744 C VAL A 48 -2.817 6.670 -3.553 1.00 0.00 C ATOM 745 O VAL A 48 -1.923 5.887 -3.870 1.00 0.00 O ATOM 746 CB VAL A 48 -4.620 4.962 -3.793 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.355 4.550 -2.353 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.073 4.713 -4.169 1.00 0.00 C ATOM 0 H VAL A 48 -4.743 6.085 -6.015 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.924 7.064 -3.414 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.991 4.352 -4.441 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.620 3.501 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.299 4.690 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.957 5.164 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.315 3.662 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.721 5.332 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.226 4.967 -5.218 1.00 0.00 H new ATOM 758 N ASN A 49 -2.602 7.749 -2.807 1.00 0.00 N ATOM 759 CA ASN A 49 -1.273 8.081 -2.307 1.00 0.00 C ATOM 760 C ASN A 49 -1.062 7.517 -0.905 1.00 0.00 C ATOM 761 O ASN A 49 -2.017 7.147 -0.224 1.00 0.00 O ATOM 762 CB ASN A 49 -1.075 9.598 -2.293 1.00 0.00 C ATOM 763 CG ASN A 49 -1.916 10.282 -1.232 1.00 0.00 C ATOM 764 OD1 ASN A 49 -2.519 9.624 -0.384 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.959 11.608 -1.276 1.00 0.00 N ATOM 0 H ASN A 49 -3.331 8.408 -2.535 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.538 7.631 -2.975 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.023 9.823 -2.119 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.330 10.004 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.508 12.124 -0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.443 12.111 -1.997 1.00 0.00 H new ATOM 772 N GLY A 50 0.197 7.455 -0.482 1.00 0.00 N ATOM 773 CA GLY A 50 0.511 6.935 0.837 1.00 0.00 C ATOM 774 C GLY A 50 -0.470 7.403 1.893 1.00 0.00 C ATOM 775 O GLY A 50 -1.173 6.594 2.499 1.00 0.00 O ATOM 0 H GLY A 50 1.005 7.755 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.512 5.846 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.517 7.246 1.117 1.00 0.00 H new ATOM 779 N ARG A 51 -0.517 8.712 2.116 1.00 0.00 N ATOM 780 CA ARG A 51 -1.417 9.287 3.109 1.00 0.00 C ATOM 781 C ARG A 51 -2.751 8.545 3.128 1.00 0.00 C ATOM 782 O ARG A 51 -3.220 8.116 4.183 1.00 0.00 O ATOM 783 CB ARG A 51 -1.651 10.771 2.819 1.00 0.00 C ATOM 784 CG ARG A 51 -1.925 11.598 4.064 1.00 0.00 C ATOM 785 CD ARG A 51 -3.313 11.325 4.620 1.00 0.00 C ATOM 786 NE ARG A 51 -3.466 11.829 5.983 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.788 13.085 6.270 1.00 0.00 C ATOM 788 NH1 ARG A 51 -3.992 13.960 5.295 1.00 0.00 N ATOM 789 NH2 ARG A 51 -3.909 13.467 7.535 1.00 0.00 N ATOM 0 H ARG A 51 0.058 9.395 1.622 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.949 9.185 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.776 11.175 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.493 10.870 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.177 11.372 4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.829 12.658 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.059 11.790 3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.504 10.252 4.607 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.317 11.181 6.756 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.902 13.669 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.239 14.924 5.518 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.755 12.796 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.156 14.432 7.755 1.00 0.00 H new ATOM 803 N LEU A 52 -3.356 8.398 1.955 1.00 0.00 N ATOM 804 CA LEU A 52 -4.636 7.709 1.835 1.00 0.00 C ATOM 805 C LEU A 52 -4.488 6.226 2.161 1.00 0.00 C ATOM 806 O LEU A 52 -5.352 5.632 2.809 1.00 0.00 O ATOM 807 CB LEU A 52 -5.200 7.879 0.424 1.00 0.00 C ATOM 808 CG LEU A 52 -6.473 7.091 0.110 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.652 7.650 0.890 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.760 7.116 -1.384 1.00 0.00 C ATOM 0 H LEU A 52 -2.981 8.747 1.073 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.328 8.153 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.402 8.937 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.431 7.587 -0.291 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.321 6.055 0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.549 7.077 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.447 7.580 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.806 8.694 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.669 6.551 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.892 8.147 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.925 6.668 -1.922 1.00 0.00 H new ATOM 822 N LEU A 53 -3.388 5.633 1.710 1.00 0.00 N ATOM 823 CA LEU A 53 -3.125 4.219 1.955 1.00 0.00 C ATOM 824 C LEU A 53 -3.149 3.912 3.449 1.00 0.00 C ATOM 825 O LEU A 53 -3.631 2.860 3.870 1.00 0.00 O ATOM 826 CB LEU A 53 -1.773 3.822 1.362 1.00 0.00 C ATOM 827 CG LEU A 53 -1.393 2.346 1.486 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.131 1.516 0.447 1.00 0.00 C ATOM 829 CD2 LEU A 53 0.111 2.168 1.343 1.00 0.00 C ATOM 0 H LEU A 53 -2.664 6.109 1.173 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.911 3.639 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.770 4.090 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.998 4.418 1.844 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.687 1.997 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.848 0.468 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.206 1.618 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.869 1.866 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.363 1.111 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.430 2.534 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.620 2.731 2.125 1.00 0.00 H new ATOM 841 N LEU A 54 -2.627 4.838 4.246 1.00 0.00 N ATOM 842 CA LEU A 54 -2.590 4.667 5.694 1.00 0.00 C ATOM 843 C LEU A 54 -3.987 4.800 6.294 1.00 0.00 C ATOM 844 O LEU A 54 -4.427 3.947 7.066 1.00 0.00 O ATOM 845 CB LEU A 54 -1.652 5.698 6.325 1.00 0.00 C ATOM 846 CG LEU A 54 -0.156 5.419 6.183 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.656 6.643 6.578 1.00 0.00 C ATOM 848 CD2 LEU A 54 0.245 4.217 7.026 1.00 0.00 C ATOM 0 H LEU A 54 -2.224 5.714 3.914 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.216 3.666 5.908 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.863 6.671 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.888 5.773 7.386 1.00 0.00 H new ATOM 0 HG LEU A 54 0.053 5.191 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.719 6.425 6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.390 7.480 5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.442 6.902 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.313 4.033 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.020 4.416 8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.311 3.339 6.696 1.00 0.00 H new ATOM 860 N THR A 55 -4.681 5.874 5.933 1.00 0.00 N ATOM 861 CA THR A 55 -6.028 6.118 6.434 1.00 0.00 C ATOM 862 C THR A 55 -6.940 4.927 6.161 1.00 0.00 C ATOM 863 O THR A 55 -7.702 4.504 7.031 1.00 0.00 O ATOM 864 CB THR A 55 -6.644 7.378 5.798 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.846 7.171 4.396 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.746 8.587 6.013 1.00 0.00 C ATOM 0 H THR A 55 -4.332 6.589 5.295 1.00 0.00 H new ATOM 0 HA THR A 55 -5.943 6.268 7.510 1.00 0.00 H new ATOM 0 HB THR A 55 -7.604 7.568 6.278 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.082 6.683 4.024 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.202 9.465 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.618 8.760 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.773 8.404 5.557 1.00 0.00 H new ATOM 874 N LEU A 56 -6.858 4.390 4.949 1.00 0.00 N ATOM 875 CA LEU A 56 -7.676 3.246 4.562 1.00 0.00 C ATOM 876 C LEU A 56 -7.698 2.194 5.665 1.00 0.00 C ATOM 877 O LEU A 56 -6.692 1.962 6.337 1.00 0.00 O ATOM 878 CB LEU A 56 -7.146 2.631 3.265 1.00 0.00 C ATOM 879 CG LEU A 56 -7.380 3.445 1.992 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.503 2.930 0.861 1.00 0.00 C ATOM 881 CD2 LEU A 56 -8.848 3.400 1.593 1.00 0.00 C ATOM 0 H LEU A 56 -6.233 4.728 4.217 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.695 3.597 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.074 2.467 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.607 1.652 3.136 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.109 4.482 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.683 3.521 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.454 3.014 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.742 1.885 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.996 3.985 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.144 2.367 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.456 3.816 2.396 1.00 0.00 H new ATOM 893 N THR A 57 -8.851 1.558 5.847 1.00 0.00 N ATOM 894 CA THR A 57 -9.004 0.529 6.868 1.00 0.00 C ATOM 895 C THR A 57 -9.606 -0.743 6.281 1.00 0.00 C ATOM 896 O THR A 57 -10.112 -0.740 5.159 1.00 0.00 O ATOM 897 CB THR A 57 -9.893 1.017 8.027 1.00 0.00 C ATOM 898 OG1 THR A 57 -11.178 1.404 7.530 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.247 2.191 8.747 1.00 0.00 C ATOM 0 H THR A 57 -9.693 1.738 5.300 1.00 0.00 H new ATOM 0 HA THR A 57 -8.007 0.312 7.251 1.00 0.00 H new ATOM 0 HB THR A 57 -10.011 0.197 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.082 2.190 6.952 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.893 2.518 9.561 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.282 1.884 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.102 3.013 8.046 1.00 0.00 H new ATOM 907 N GLU A 58 -9.548 -1.828 7.047 1.00 0.00 N ATOM 908 CA GLU A 58 -10.088 -3.106 6.602 1.00 0.00 C ATOM 909 C GLU A 58 -11.346 -2.903 5.762 1.00 0.00 C ATOM 910 O GLU A 58 -11.500 -3.506 4.700 1.00 0.00 O ATOM 911 CB GLU A 58 -10.404 -3.999 7.804 1.00 0.00 C ATOM 912 CG GLU A 58 -11.263 -5.204 7.459 1.00 0.00 C ATOM 913 CD GLU A 58 -12.747 -4.909 7.558 1.00 0.00 C ATOM 914 OE1 GLU A 58 -13.253 -4.780 8.692 1.00 0.00 O ATOM 915 OE2 GLU A 58 -13.403 -4.807 6.500 1.00 0.00 O ATOM 0 H GLU A 58 -9.132 -1.847 7.978 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.334 -3.594 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.469 -4.344 8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.914 -3.405 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.029 -5.535 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.014 -6.027 8.129 1.00 0.00 H new ATOM 922 N GLU A 59 -12.242 -2.049 6.246 1.00 0.00 N ATOM 923 CA GLU A 59 -13.486 -1.767 5.540 1.00 0.00 C ATOM 924 C GLU A 59 -13.209 -1.133 4.180 1.00 0.00 C ATOM 925 O GLU A 59 -13.382 -1.770 3.141 1.00 0.00 O ATOM 926 CB GLU A 59 -14.373 -0.840 6.375 1.00 0.00 C ATOM 927 CG GLU A 59 -15.321 -1.580 7.304 1.00 0.00 C ATOM 928 CD GLU A 59 -15.678 -0.772 8.537 1.00 0.00 C ATOM 929 OE1 GLU A 59 -16.567 0.100 8.436 1.00 0.00 O ATOM 930 OE2 GLU A 59 -15.070 -1.010 9.600 1.00 0.00 O ATOM 0 H GLU A 59 -12.130 -1.541 7.123 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.006 -2.712 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.739 -0.180 6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.955 -0.207 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.233 -1.831 6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.863 -2.521 7.610 1.00 0.00 H new ATOM 937 N GLU A 60 -12.779 0.124 4.196 1.00 0.00 N ATOM 938 CA GLU A 60 -12.479 0.844 2.964 1.00 0.00 C ATOM 939 C GLU A 60 -11.869 -0.090 1.922 1.00 0.00 C ATOM 940 O GLU A 60 -12.262 -0.078 0.756 1.00 0.00 O ATOM 941 CB GLU A 60 -11.523 2.006 3.245 1.00 0.00 C ATOM 942 CG GLU A 60 -12.066 3.012 4.245 1.00 0.00 C ATOM 943 CD GLU A 60 -11.015 4.003 4.705 1.00 0.00 C ATOM 944 OE1 GLU A 60 -10.785 4.999 3.988 1.00 0.00 O ATOM 945 OE2 GLU A 60 -10.422 3.783 5.782 1.00 0.00 O ATOM 0 H GLU A 60 -12.630 0.665 5.048 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.414 1.240 2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.580 1.607 3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.303 2.519 2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.898 3.553 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.462 2.481 5.110 1.00 0.00 H new ATOM 952 N PHE A 61 -10.906 -0.898 2.353 1.00 0.00 N ATOM 953 CA PHE A 61 -10.240 -1.838 1.459 1.00 0.00 C ATOM 954 C PHE A 61 -11.235 -2.842 0.886 1.00 0.00 C ATOM 955 O PHE A 61 -11.194 -3.166 -0.301 1.00 0.00 O ATOM 956 CB PHE A 61 -9.122 -2.575 2.200 1.00 0.00 C ATOM 957 CG PHE A 61 -7.842 -1.794 2.286 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.292 -1.214 1.154 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.190 -1.639 3.498 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.114 -0.494 1.230 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.013 -0.920 3.580 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.473 -0.348 2.444 1.00 0.00 C ATOM 0 H PHE A 61 -10.569 -0.921 3.316 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.807 -1.272 0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.461 -2.813 3.208 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.927 -3.522 1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.789 -1.326 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.606 -2.085 4.389 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.696 -0.046 0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.515 -0.805 4.532 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.552 0.212 2.506 1.00 0.00 H new ATOM 972 N SER A 62 -12.128 -3.333 1.740 1.00 0.00 N ATOM 973 CA SER A 62 -13.132 -4.305 1.321 1.00 0.00 C ATOM 974 C SER A 62 -14.290 -3.616 0.606 1.00 0.00 C ATOM 975 O SER A 62 -15.198 -4.272 0.097 1.00 0.00 O ATOM 976 CB SER A 62 -13.655 -5.083 2.530 1.00 0.00 C ATOM 977 OG SER A 62 -14.725 -5.936 2.163 1.00 0.00 O ATOM 0 H SER A 62 -12.177 -3.074 2.725 1.00 0.00 H new ATOM 0 HA SER A 62 -12.661 -5.000 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.848 -5.673 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.989 -4.386 3.299 1.00 0.00 H new ATOM 0 HG SER A 62 -15.123 -5.620 1.325 1.00 0.00 H new ATOM 983 N ARG A 63 -14.250 -2.288 0.572 1.00 0.00 N ATOM 984 CA ARG A 63 -15.296 -1.508 -0.079 1.00 0.00 C ATOM 985 C ARG A 63 -14.863 -1.080 -1.479 1.00 0.00 C ATOM 986 O ARG A 63 -13.680 -0.856 -1.732 1.00 0.00 O ATOM 987 CB ARG A 63 -15.639 -0.275 0.759 1.00 0.00 C ATOM 988 CG ARG A 63 -16.174 -0.609 2.142 1.00 0.00 C ATOM 989 CD ARG A 63 -17.499 -1.352 2.063 1.00 0.00 C ATOM 990 NE ARG A 63 -18.507 -0.597 1.324 1.00 0.00 N ATOM 991 CZ ARG A 63 -19.784 -0.953 1.250 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.207 -2.048 1.867 1.00 0.00 N ATOM 993 NH2 ARG A 63 -20.641 -0.214 0.557 1.00 0.00 N ATOM 0 H ARG A 63 -13.504 -1.730 0.988 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.182 -2.137 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -14.747 0.343 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.380 0.321 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.446 -1.218 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.304 0.309 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.345 -2.318 1.582 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.863 -1.552 3.071 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.214 0.250 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.551 -2.619 2.400 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.189 -2.319 1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.319 0.628 0.081 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.622 -0.488 0.501 1.00 0.00 H new ATOM 1007 N ALA A 64 -15.831 -0.970 -2.383 1.00 0.00 N ATOM 1008 CA ALA A 64 -15.551 -0.568 -3.756 1.00 0.00 C ATOM 1009 C ALA A 64 -14.839 0.780 -3.799 1.00 0.00 C ATOM 1010 O ALA A 64 -14.973 1.609 -2.899 1.00 0.00 O ATOM 1011 CB ALA A 64 -16.839 -0.512 -4.563 1.00 0.00 C ATOM 0 H ALA A 64 -16.815 -1.154 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.890 -1.313 -4.199 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -16.615 -0.210 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.308 -1.496 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.519 0.211 -4.113 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.063 1.007 -4.869 1.00 0.00 N ATOM 1018 CA PRO A 65 -13.895 0.027 -5.947 1.00 0.00 C ATOM 1019 C PRO A 65 -13.095 -1.193 -5.503 1.00 0.00 C ATOM 1020 O PRO A 65 -13.418 -2.324 -5.864 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.130 0.807 -7.019 1.00 0.00 C ATOM 1022 CG PRO A 65 -12.404 1.870 -6.269 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.288 2.236 -5.109 1.00 0.00 C ATOM 0 HA PRO A 65 -14.851 -0.370 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.438 0.162 -7.560 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -13.809 1.236 -7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.435 1.511 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.215 2.736 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.705 2.520 -4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.936 3.079 -5.348 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.050 -0.955 -4.717 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.203 -2.035 -4.225 1.00 0.00 C ATOM 1033 C TYR A 66 -12.032 -3.274 -3.902 1.00 0.00 C ATOM 1034 O TYR A 66 -11.665 -4.393 -4.260 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.435 -1.582 -2.982 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.068 -0.116 -2.997 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.623 0.497 -4.163 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.164 0.657 -1.847 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -9.286 1.836 -4.182 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -9.830 1.998 -1.857 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.392 2.583 -3.027 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.057 3.917 -3.040 1.00 0.00 O ATOM 0 H TYR A 66 -11.770 -0.024 -4.407 1.00 0.00 H new ATOM 0 HA TYR A 66 -10.492 -2.292 -5.010 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.038 -1.788 -2.098 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.525 -2.175 -2.892 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.539 -0.084 -5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -10.506 0.202 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.941 2.296 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.911 2.585 -0.954 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.190 4.296 -2.146 1.00 0.00 H new ATOM 1052 N THR A 67 -13.155 -3.065 -3.221 1.00 0.00 N ATOM 1053 CA THR A 67 -14.038 -4.163 -2.848 1.00 0.00 C ATOM 1054 C THR A 67 -13.241 -5.417 -2.505 1.00 0.00 C ATOM 1055 O THR A 67 -13.712 -6.537 -2.705 1.00 0.00 O ATOM 1056 CB THR A 67 -15.032 -4.494 -3.977 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.057 -5.365 -3.488 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.319 -5.150 -5.150 1.00 0.00 C ATOM 0 H THR A 67 -13.474 -2.145 -2.917 1.00 0.00 H new ATOM 0 HA THR A 67 -14.594 -3.836 -1.969 1.00 0.00 H new ATOM 0 HB THR A 67 -15.481 -3.562 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.647 -6.123 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.041 -5.375 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.559 -4.472 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.845 -6.074 -4.817 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.033 -5.221 -1.986 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.172 -6.337 -1.614 1.00 0.00 C ATOM 1068 C ILE A 68 -11.970 -7.442 -0.930 1.00 0.00 C ATOM 1069 O ILE A 68 -12.399 -7.294 0.214 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.038 -5.883 -0.676 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.059 -4.976 -1.426 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.313 -7.091 -0.099 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.019 -4.340 -0.531 1.00 0.00 C ATOM 0 H ILE A 68 -11.629 -4.300 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.738 -6.723 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.472 -5.316 0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.556 -5.558 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.619 -4.191 -1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.514 -6.754 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.017 -7.703 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.888 -7.682 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.360 -3.711 -1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.514 -3.731 0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.433 -5.119 -0.043 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.163 -8.550 -1.639 1.00 0.00 N ATOM 1086 CA GLU A 69 -12.909 -9.681 -1.100 1.00 0.00 C ATOM 1087 C GLU A 69 -11.962 -10.768 -0.600 1.00 0.00 C ATOM 1088 O GLU A 69 -12.324 -11.578 0.252 1.00 0.00 O ATOM 1089 CB GLU A 69 -13.847 -10.256 -2.163 1.00 0.00 C ATOM 1090 CG GLU A 69 -14.761 -9.218 -2.794 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.022 -9.827 -3.375 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -15.906 -10.719 -4.241 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.125 -9.410 -2.964 1.00 0.00 O ATOM 0 H GLU A 69 -11.813 -8.688 -2.587 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.502 -9.324 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.251 -10.727 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.457 -11.039 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.033 -8.475 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.220 -8.693 -3.581 1.00 0.00 H new ATOM 1100 N ASN A 70 -10.747 -10.779 -1.139 1.00 0.00 N ATOM 1101 CA ASN A 70 -9.747 -11.768 -0.749 1.00 0.00 C ATOM 1102 C ASN A 70 -9.101 -11.392 0.581 1.00 0.00 C ATOM 1103 O ASN A 70 -8.039 -10.770 0.612 1.00 0.00 O ATOM 1104 CB ASN A 70 -8.675 -11.893 -1.833 1.00 0.00 C ATOM 1105 CG ASN A 70 -9.008 -12.963 -2.855 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -10.120 -13.491 -2.878 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -8.043 -13.288 -3.707 1.00 0.00 N ATOM 0 H ASN A 70 -10.431 -10.115 -1.846 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.248 -12.729 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.560 -10.934 -2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.717 -12.125 -1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.208 -14.001 -4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.136 -12.824 -3.651 1.00 0.00 H new ATOM 1114 N SER A 71 -9.748 -11.775 1.676 1.00 0.00 N ATOM 1115 CA SER A 71 -9.238 -11.477 3.009 1.00 0.00 C ATOM 1116 C SER A 71 -7.713 -11.512 3.028 1.00 0.00 C ATOM 1117 O SER A 71 -7.063 -10.531 3.390 1.00 0.00 O ATOM 1118 CB SER A 71 -9.795 -12.474 4.027 1.00 0.00 C ATOM 1119 OG SER A 71 -9.115 -12.372 5.266 1.00 0.00 O ATOM 0 H SER A 71 -10.627 -12.293 1.667 1.00 0.00 H new ATOM 0 HA SER A 71 -9.565 -10.473 3.279 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.859 -12.290 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.699 -13.488 3.638 1.00 0.00 H new ATOM 0 HG SER A 71 -9.491 -13.018 5.900 1.00 0.00 H new ATOM 1125 N SER A 72 -7.149 -12.649 2.636 1.00 0.00 N ATOM 1126 CA SER A 72 -5.700 -12.815 2.611 1.00 0.00 C ATOM 1127 C SER A 72 -5.010 -11.508 2.234 1.00 0.00 C ATOM 1128 O SER A 72 -4.035 -11.102 2.867 1.00 0.00 O ATOM 1129 CB SER A 72 -5.309 -13.915 1.622 1.00 0.00 C ATOM 1130 OG SER A 72 -5.644 -15.196 2.125 1.00 0.00 O ATOM 0 H SER A 72 -7.673 -13.469 2.331 1.00 0.00 H new ATOM 0 HA SER A 72 -5.374 -13.102 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.816 -13.750 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.238 -13.867 1.425 1.00 0.00 H new ATOM 0 HG SER A 72 -5.386 -15.881 1.474 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.524 -10.852 1.199 1.00 0.00 N ATOM 1137 CA HIS A 73 -4.958 -9.589 0.737 1.00 0.00 C ATOM 1138 C HIS A 73 -4.976 -8.546 1.850 1.00 0.00 C ATOM 1139 O HIS A 73 -3.939 -7.984 2.204 1.00 0.00 O ATOM 1140 CB HIS A 73 -5.734 -9.071 -0.475 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.523 -9.886 -1.714 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -6.441 -9.943 -2.742 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -4.492 -10.679 -2.087 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.983 -10.737 -3.693 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -4.802 -11.196 -3.321 1.00 0.00 N ATOM 0 H HIS A 73 -6.331 -11.173 0.664 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.923 -9.768 0.447 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.797 -9.057 -0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.438 -8.041 -0.673 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.593 -10.870 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.489 -10.971 -4.618 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.215 -11.831 -3.862 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.159 -8.293 2.399 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.312 -7.316 3.471 1.00 0.00 C ATOM 1156 C ARG A 74 -5.276 -7.547 4.567 1.00 0.00 C ATOM 1157 O ARG A 74 -4.647 -6.604 5.048 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.721 -7.392 4.061 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.722 -6.485 3.365 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.914 -6.180 4.260 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.491 -7.392 4.835 1.00 0.00 N ATOM 1162 CZ ARG A 74 -10.154 -7.874 6.026 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -9.247 -7.249 6.765 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -10.724 -8.982 6.480 1.00 0.00 N ATOM 0 H ARG A 74 -7.026 -8.751 2.119 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.155 -6.323 3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.075 -8.421 4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.678 -7.128 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.233 -5.554 3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.067 -6.959 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.603 -5.511 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.675 -5.654 3.683 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.192 -7.896 4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.807 -6.396 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.990 -7.621 7.679 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.422 -9.465 5.914 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.464 -9.351 7.395 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.104 -8.805 4.957 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.146 -9.159 5.998 1.00 0.00 C ATOM 1180 C ARG A 75 -2.731 -8.759 5.592 1.00 0.00 C ATOM 1181 O ARG A 75 -1.980 -8.198 6.391 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.201 -10.661 6.282 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.338 -11.091 7.457 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.930 -11.453 7.011 1.00 0.00 C ATOM 1185 NE ARG A 75 -0.975 -11.393 8.114 1.00 0.00 N ATOM 1186 CZ ARG A 75 -0.898 -12.312 9.070 1.00 0.00 C ATOM 1187 NH1 ARG A 75 -1.716 -13.356 9.059 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -0.002 -12.189 10.041 1.00 0.00 N ATOM 0 H ARG A 75 -5.616 -9.597 4.568 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.414 -8.615 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.234 -10.948 6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.883 -11.202 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.293 -10.286 8.190 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.796 -11.948 7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.931 -12.457 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.614 -10.773 6.220 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.332 -10.602 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.407 -13.455 8.315 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.654 -14.060 9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.629 -11.388 10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.056 -12.896 10.774 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.372 -9.051 4.346 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.048 -8.721 3.834 1.00 0.00 C ATOM 1204 C VAL A 76 -0.825 -7.213 3.817 1.00 0.00 C ATOM 1205 O VAL A 76 0.163 -6.715 4.356 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.841 -9.276 2.412 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.560 -8.959 1.913 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.101 -10.775 2.383 1.00 0.00 C ATOM 0 H VAL A 76 -2.980 -9.516 3.672 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.325 -9.184 4.505 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.555 -8.793 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.687 -9.359 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.704 -7.879 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.295 -9.412 2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.950 -11.151 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.412 -11.277 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.127 -10.972 2.694 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.750 -6.491 3.194 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.656 -5.039 3.107 1.00 0.00 C ATOM 1220 C ILE A 77 -1.596 -4.409 4.494 1.00 0.00 C ATOM 1221 O ILE A 77 -0.638 -3.711 4.831 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.848 -4.442 2.335 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.699 -4.711 0.837 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.957 -2.949 2.603 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.968 -4.468 0.050 1.00 0.00 C ATOM 0 H ILE A 77 -2.574 -6.888 2.742 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.736 -4.814 2.568 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.764 -4.921 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.907 -4.076 0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.383 -5.744 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.804 -2.541 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.104 -2.781 3.670 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.041 -2.454 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.788 -4.679 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.757 -5.122 0.421 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.274 -3.428 0.165 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.624 -4.661 5.297 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.688 -4.119 6.651 1.00 0.00 C ATOM 1239 C LEU A 78 -1.440 -4.490 7.445 1.00 0.00 C ATOM 1240 O LEU A 78 -0.728 -3.619 7.947 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.936 -4.636 7.369 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.255 -3.961 6.992 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.436 -4.794 7.467 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.321 -2.557 7.574 1.00 0.00 C ATOM 0 H LEU A 78 -3.424 -5.237 5.035 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.741 -3.033 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.028 -5.704 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.786 -4.522 8.443 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.305 -3.885 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.366 -4.298 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.397 -5.779 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.392 -4.903 8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.267 -2.092 7.296 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.249 -2.610 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.495 -1.962 7.184 1.00 0.00 H new ATOM 1256 N THR A 79 -1.178 -5.789 7.555 1.00 0.00 N ATOM 1257 CA THR A 79 -0.016 -6.275 8.287 1.00 0.00 C ATOM 1258 C THR A 79 1.260 -5.588 7.812 1.00 0.00 C ATOM 1259 O THR A 79 1.999 -5.013 8.610 1.00 0.00 O ATOM 1260 CB THR A 79 0.148 -7.799 8.133 1.00 0.00 C ATOM 1261 OG1 THR A 79 -0.979 -8.473 8.705 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.426 -8.277 8.806 1.00 0.00 C ATOM 0 H THR A 79 -1.756 -6.523 7.146 1.00 0.00 H new ATOM 0 HA THR A 79 -0.183 -6.039 9.338 1.00 0.00 H new ATOM 0 HB THR A 79 0.208 -8.030 7.069 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.581 -8.769 7.990 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.520 -9.356 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.284 -7.784 8.349 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.391 -8.034 9.868 1.00 0.00 H new ATOM 1270 N GLU A 80 1.511 -5.652 6.508 1.00 0.00 N ATOM 1271 CA GLU A 80 2.698 -5.036 5.928 1.00 0.00 C ATOM 1272 C GLU A 80 2.753 -3.546 6.256 1.00 0.00 C ATOM 1273 O GLU A 80 3.806 -3.015 6.612 1.00 0.00 O ATOM 1274 CB GLU A 80 2.716 -5.237 4.412 1.00 0.00 C ATOM 1275 CG GLU A 80 3.156 -6.628 3.987 1.00 0.00 C ATOM 1276 CD GLU A 80 4.662 -6.749 3.857 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.378 -5.985 4.537 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.123 -7.607 3.076 1.00 0.00 O ATOM 0 H GLU A 80 0.908 -6.124 5.834 1.00 0.00 H new ATOM 0 HA GLU A 80 3.574 -5.518 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.719 -5.044 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.384 -4.501 3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.798 -7.356 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.692 -6.876 3.033 1.00 0.00 H new ATOM 1285 N LEU A 81 1.612 -2.877 6.132 1.00 0.00 N ATOM 1286 CA LEU A 81 1.528 -1.449 6.414 1.00 0.00 C ATOM 1287 C LEU A 81 1.925 -1.154 7.857 1.00 0.00 C ATOM 1288 O LEU A 81 2.644 -0.193 8.129 1.00 0.00 O ATOM 1289 CB LEU A 81 0.111 -0.939 6.149 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.006 0.520 5.704 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.625 0.712 4.334 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.463 0.958 5.689 1.00 0.00 C ATOM 0 H LEU A 81 0.732 -3.301 5.838 1.00 0.00 H new ATOM 0 HA LEU A 81 2.223 -0.932 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.343 -1.569 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.476 -1.069 7.058 1.00 0.00 H new ATOM 0 HG LEU A 81 0.532 1.142 6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.532 1.756 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.679 0.439 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.116 0.079 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.527 1.998 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.024 0.331 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.883 0.859 6.690 1.00 0.00 H new ATOM 1304 N GLU A 82 1.454 -1.989 8.778 1.00 0.00 N ATOM 1305 CA GLU A 82 1.762 -1.818 10.193 1.00 0.00 C ATOM 1306 C GLU A 82 3.270 -1.790 10.422 1.00 0.00 C ATOM 1307 O GLU A 82 3.746 -1.271 11.432 1.00 0.00 O ATOM 1308 CB GLU A 82 1.131 -2.945 11.014 1.00 0.00 C ATOM 1309 CG GLU A 82 1.299 -2.771 12.514 1.00 0.00 C ATOM 1310 CD GLU A 82 0.499 -1.605 13.060 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.728 -1.567 12.830 1.00 0.00 O ATOM 1312 OE2 GLU A 82 1.100 -0.730 13.718 1.00 0.00 O ATOM 0 H GLU A 82 0.858 -2.790 8.570 1.00 0.00 H new ATOM 0 HA GLU A 82 1.345 -0.864 10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.068 -3.003 10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.575 -3.894 10.715 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.990 -3.686 13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.354 -2.621 12.743 1.00 0.00 H new ATOM 1319 N ARG A 83 4.017 -2.352 9.477 1.00 0.00 N ATOM 1320 CA ARG A 83 5.471 -2.393 9.576 1.00 0.00 C ATOM 1321 C ARG A 83 6.091 -1.121 9.006 1.00 0.00 C ATOM 1322 O ARG A 83 6.679 -0.323 9.737 1.00 0.00 O ATOM 1323 CB ARG A 83 6.019 -3.616 8.837 1.00 0.00 C ATOM 1324 CG ARG A 83 5.391 -4.927 9.279 1.00 0.00 C ATOM 1325 CD ARG A 83 6.211 -6.121 8.817 1.00 0.00 C ATOM 1326 NE ARG A 83 6.081 -7.258 9.724 1.00 0.00 N ATOM 1327 CZ ARG A 83 6.609 -7.290 10.943 1.00 0.00 C ATOM 1328 NH1 ARG A 83 7.298 -6.252 11.398 1.00 0.00 N ATOM 1329 NH2 ARG A 83 6.448 -8.360 11.710 1.00 0.00 N ATOM 0 H ARG A 83 3.639 -2.785 8.634 1.00 0.00 H new ATOM 0 HA ARG A 83 5.737 -2.465 10.631 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.855 -3.487 7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.097 -3.670 8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.304 -4.942 10.365 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.380 -5.001 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.891 -6.416 7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.260 -5.834 8.744 1.00 0.00 H new ATOM 0 HE ARG A 83 5.556 -8.072 9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.424 -5.427 10.812 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.702 -6.279 12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.918 -9.160 11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.854 -8.383 12.645 1.00 0.00 H new ATOM 1343 N VAL A 84 5.956 -0.938 7.697 1.00 0.00 N ATOM 1344 CA VAL A 84 6.502 0.238 7.029 1.00 0.00 C ATOM 1345 C VAL A 84 6.151 1.513 7.787 1.00 0.00 C ATOM 1346 O VAL A 84 6.907 2.484 7.772 1.00 0.00 O ATOM 1347 CB VAL A 84 5.983 0.353 5.583 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.530 -0.779 4.727 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.462 0.361 5.562 1.00 0.00 C ATOM 0 H VAL A 84 5.473 -1.589 7.077 1.00 0.00 H new ATOM 0 HA VAL A 84 7.585 0.117 7.010 1.00 0.00 H new ATOM 0 HB VAL A 84 6.334 1.296 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.152 -0.681 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.619 -0.733 4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.211 -1.735 5.142 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.113 0.443 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.087 -0.564 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.095 1.210 6.138 1.00 0.00 H new ATOM 1359 N ARG A 85 4.999 1.503 8.449 1.00 0.00 N ATOM 1360 CA ARG A 85 4.547 2.660 9.213 1.00 0.00 C ATOM 1361 C ARG A 85 5.258 2.733 10.561 1.00 0.00 C ATOM 1362 O ARG A 85 5.627 3.813 11.021 1.00 0.00 O ATOM 1363 CB ARG A 85 3.033 2.597 9.426 1.00 0.00 C ATOM 1364 CG ARG A 85 2.612 1.646 10.534 1.00 0.00 C ATOM 1365 CD ARG A 85 1.134 1.788 10.859 1.00 0.00 C ATOM 1366 NE ARG A 85 0.853 3.014 11.602 1.00 0.00 N ATOM 1367 CZ ARG A 85 1.108 3.163 12.897 1.00 0.00 C ATOM 1368 NH1 ARG A 85 1.647 2.169 13.589 1.00 0.00 N ATOM 1369 NH2 ARG A 85 0.823 4.309 13.503 1.00 0.00 N ATOM 0 H ARG A 85 4.362 0.707 8.472 1.00 0.00 H new ATOM 0 HA ARG A 85 4.790 3.557 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.666 3.597 9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.556 2.290 8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.822 0.620 10.233 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.203 1.844 11.428 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.557 1.784 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.807 0.927 11.442 1.00 0.00 H new ATOM 0 HE ARG A 85 0.438 3.798 11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 85 1.867 1.287 13.127 1.00 0.00 H new ATOM 0 HH12 ARG A 85 1.842 2.287 14.583 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.408 5.076 12.974 1.00 0.00 H new ATOM 0 HH22 ARG A 85 1.019 4.423 14.498 1.00 0.00 H new ATOM 1383 N SER A 86 5.446 1.576 11.188 1.00 0.00 N ATOM 1384 CA SER A 86 6.109 1.509 12.486 1.00 0.00 C ATOM 1385 C SER A 86 7.622 1.624 12.329 1.00 0.00 C ATOM 1386 O SER A 86 8.216 0.995 11.454 1.00 0.00 O ATOM 1387 CB SER A 86 5.756 0.201 13.196 1.00 0.00 C ATOM 1388 OG SER A 86 4.608 0.357 14.012 1.00 0.00 O ATOM 0 H SER A 86 5.149 0.673 10.819 1.00 0.00 H new ATOM 0 HA SER A 86 5.759 2.347 13.089 1.00 0.00 H new ATOM 0 HB2 SER A 86 5.577 -0.581 12.457 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.599 -0.124 13.807 1.00 0.00 H new ATOM 0 HG SER A 86 4.402 -0.493 14.453 1.00 0.00 H new ATOM 1394 N GLY A 87 8.240 2.433 13.184 1.00 0.00 N ATOM 1395 CA GLY A 87 9.678 2.617 13.125 1.00 0.00 C ATOM 1396 C GLY A 87 10.066 4.009 12.668 1.00 0.00 C ATOM 1397 O GLY A 87 10.608 4.200 11.579 1.00 0.00 O ATOM 0 H GLY A 87 7.770 2.964 13.917 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.106 2.429 14.110 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.108 1.882 12.445 1.00 0.00 H new ATOM 1401 N PRO A 88 9.787 5.012 13.513 1.00 0.00 N ATOM 1402 CA PRO A 88 10.101 6.412 13.211 1.00 0.00 C ATOM 1403 C PRO A 88 11.601 6.686 13.227 1.00 0.00 C ATOM 1404 O PRO A 88 12.121 7.397 12.368 1.00 0.00 O ATOM 1405 CB PRO A 88 9.405 7.183 14.336 1.00 0.00 C ATOM 1406 CG PRO A 88 9.315 6.211 15.462 1.00 0.00 C ATOM 1407 CD PRO A 88 9.143 4.858 14.828 1.00 0.00 C ATOM 0 HA PRO A 88 9.770 6.697 12.212 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.975 8.067 14.621 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.417 7.526 14.029 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.214 6.242 16.077 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.474 6.446 16.114 1.00 0.00 H new ATOM 0 HD2 PRO A 88 9.618 4.074 15.418 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.091 4.591 14.731 1.00 0.00 H new ATOM 1415 N SER A 89 12.291 6.116 14.210 1.00 0.00 N ATOM 1416 CA SER A 89 13.732 6.302 14.340 1.00 0.00 C ATOM 1417 C SER A 89 14.472 4.989 14.107 1.00 0.00 C ATOM 1418 O SER A 89 14.028 3.927 14.543 1.00 0.00 O ATOM 1419 CB SER A 89 14.073 6.854 15.725 1.00 0.00 C ATOM 1420 OG SER A 89 13.483 6.069 16.747 1.00 0.00 O ATOM 0 H SER A 89 11.876 5.522 14.928 1.00 0.00 H new ATOM 0 HA SER A 89 14.051 7.018 13.583 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.155 6.873 15.856 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.724 7.883 15.806 1.00 0.00 H new ATOM 0 HG SER A 89 13.718 6.442 17.622 1.00 0.00 H new ATOM 1426 N SER A 90 15.605 5.070 13.416 1.00 0.00 N ATOM 1427 CA SER A 90 16.406 3.888 13.120 1.00 0.00 C ATOM 1428 C SER A 90 17.751 3.950 13.838 1.00 0.00 C ATOM 1429 O SER A 90 18.372 5.008 13.925 1.00 0.00 O ATOM 1430 CB SER A 90 16.625 3.758 11.612 1.00 0.00 C ATOM 1431 OG SER A 90 17.334 4.875 11.102 1.00 0.00 O ATOM 0 H SER A 90 15.989 5.942 13.051 1.00 0.00 H new ATOM 0 HA SER A 90 15.863 3.013 13.477 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.179 2.844 11.399 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.663 3.673 11.107 1.00 0.00 H new ATOM 0 HG SER A 90 17.463 4.768 10.136 1.00 0.00 H new ATOM 1437 N GLY A 91 18.195 2.806 14.350 1.00 0.00 N ATOM 1438 CA GLY A 91 19.463 2.752 15.054 1.00 0.00 C ATOM 1439 C GLY A 91 20.409 1.724 14.465 1.00 0.00 C ATOM 1440 O GLY A 91 21.543 2.045 14.111 1.00 0.00 O ATOM 0 H GLY A 91 17.700 1.916 14.290 1.00 0.00 H new ATOM 0 HA2 GLY A 91 19.934 3.734 15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 91 19.283 2.517 16.103 1.00 0.00 H new TER 1444 GLY A 91