USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 738 hydrogens (10 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 36 GLN : amide:sc= -1.22! C(o=-2.9!,f=-8.6!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.71! C(o=-2.9!,f=-8.3!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.474 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.474 X(o=0.95,f=0.93) USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.0432 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0439 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.104 USER MOD Single : A 10 SER OG : rot -146:sc= -1.22 USER MOD Single : A 11 SER OG : rot 180:sc= -0.196 USER MOD Single : A 17 THR OG1 : rot 93:sc= 1.24 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.75) USER MOD Single : A 30 THR OG1 : rot -150:sc= -0.195 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.448 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -46:sc= 1.33 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 62 SER OG : rot 59:sc= 0.336 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 175:sc= 0.896 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -90:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 104:sc= 0.643 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 114:sc= 0.984 USER MOD Single : A 90 THR OG1 : rot -49:sc= 0.541 USER MOD Single : A 94 GLN : amide:sc= 0.173 K(o=0.17,f=-2.4) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc=-0.00387 X(o=-0.0039,f=-0.0039) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.372 5.079 16.243 1.00 0.00 N ATOM 2 CA ALA A 1 -16.727 4.077 15.217 1.00 0.00 C ATOM 3 C ALA A 1 -15.605 3.061 15.049 1.00 0.00 C ATOM 4 O ALA A 1 -14.429 3.384 15.230 1.00 0.00 O ATOM 5 CB ALA A 1 -17.020 4.760 13.892 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.953 4.928 17.092 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.366 4.982 16.490 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.546 6.034 15.870 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.623 3.551 15.546 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.280 4.010 13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.853 5.452 14.016 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.138 5.309 13.563 1.00 0.00 H new ATOM 11 N ALA A 2 -15.976 1.833 14.713 1.00 0.00 N ATOM 12 CA ALA A 2 -15.008 0.768 14.516 1.00 0.00 C ATOM 13 C ALA A 2 -15.001 0.332 13.053 1.00 0.00 C ATOM 14 O ALA A 2 -15.977 -0.241 12.565 1.00 0.00 O ATOM 15 CB ALA A 2 -15.324 -0.410 15.428 1.00 0.00 C ATOM 0 H ALA A 2 -16.946 1.551 14.571 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.016 1.140 14.772 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.590 -1.200 15.269 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.288 -0.085 16.468 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.320 -0.789 15.201 1.00 0.00 H new ATOM 21 N PRO A 3 -13.907 0.612 12.332 1.00 0.00 N ATOM 22 CA PRO A 3 -13.784 0.255 10.917 1.00 0.00 C ATOM 23 C PRO A 3 -13.750 -1.254 10.697 1.00 0.00 C ATOM 24 O PRO A 3 -13.357 -2.017 11.583 1.00 0.00 O ATOM 25 CB PRO A 3 -12.457 0.890 10.494 1.00 0.00 C ATOM 26 CG PRO A 3 -11.686 1.062 11.758 1.00 0.00 C ATOM 27 CD PRO A 3 -12.705 1.298 12.838 1.00 0.00 C ATOM 0 HA PRO A 3 -14.638 0.606 10.338 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.922 0.253 9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.619 1.847 9.998 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.088 0.177 11.973 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.996 1.902 11.683 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.380 0.886 13.793 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.886 2.362 12.994 1.00 0.00 H new ATOM 35 N THR A 4 -14.170 -1.680 9.519 1.00 0.00 N ATOM 36 CA THR A 4 -14.187 -3.089 9.180 1.00 0.00 C ATOM 37 C THR A 4 -13.103 -3.407 8.153 1.00 0.00 C ATOM 38 O THR A 4 -13.383 -3.599 6.969 1.00 0.00 O ATOM 39 CB THR A 4 -15.562 -3.506 8.628 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.463 -2.385 8.667 1.00 0.00 O ATOM 41 CG2 THR A 4 -16.147 -4.657 9.432 1.00 0.00 C ATOM 0 H THR A 4 -14.506 -1.065 8.778 1.00 0.00 H new ATOM 0 HA THR A 4 -13.991 -3.653 10.092 1.00 0.00 H new ATOM 0 HB THR A 4 -15.430 -3.837 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.336 -2.655 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.118 -4.931 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.476 -5.514 9.381 1.00 0.00 H new ATOM 0 HG23 THR A 4 -16.267 -4.351 10.471 1.00 0.00 H new ATOM 49 N ALA A 5 -11.860 -3.421 8.608 1.00 0.00 N ATOM 50 CA ALA A 5 -10.737 -3.725 7.736 1.00 0.00 C ATOM 51 C ALA A 5 -10.650 -5.227 7.503 1.00 0.00 C ATOM 52 O ALA A 5 -10.797 -6.014 8.438 1.00 0.00 O ATOM 53 CB ALA A 5 -9.440 -3.197 8.332 1.00 0.00 C ATOM 0 H ALA A 5 -11.604 -3.225 9.576 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.894 -3.232 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.610 -3.434 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.510 -2.116 8.455 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.270 -3.662 9.303 1.00 0.00 H new ATOM 59 N THR A 6 -10.442 -5.623 6.258 1.00 0.00 N ATOM 60 CA THR A 6 -10.342 -7.034 5.912 1.00 0.00 C ATOM 61 C THR A 6 -9.331 -7.250 4.785 1.00 0.00 C ATOM 62 O THR A 6 -9.703 -7.468 3.629 1.00 0.00 O ATOM 63 CB THR A 6 -11.711 -7.600 5.483 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.766 -6.955 6.215 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.781 -9.105 5.716 1.00 0.00 C ATOM 0 H THR A 6 -10.339 -4.987 5.468 1.00 0.00 H new ATOM 0 HA THR A 6 -10.003 -7.562 6.803 1.00 0.00 H new ATOM 0 HB THR A 6 -11.833 -7.406 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.630 -7.321 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.757 -9.476 5.405 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.002 -9.600 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.633 -9.316 6.775 1.00 0.00 H new ATOM 73 N VAL A 7 -8.052 -7.177 5.121 1.00 0.00 N ATOM 74 CA VAL A 7 -6.997 -7.366 4.136 1.00 0.00 C ATOM 75 C VAL A 7 -6.452 -8.793 4.194 1.00 0.00 C ATOM 76 O VAL A 7 -6.438 -9.418 5.254 1.00 0.00 O ATOM 77 CB VAL A 7 -5.839 -6.355 4.330 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.369 -4.930 4.344 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.051 -6.651 5.601 1.00 0.00 C ATOM 0 H VAL A 7 -7.719 -6.989 6.067 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.440 -7.190 3.156 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.158 -6.462 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.541 -4.235 4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.868 -4.718 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.079 -4.814 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.246 -5.924 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.714 -6.587 6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.628 -7.654 5.542 1.00 0.00 H new ATOM 89 N THR A 8 -6.029 -9.309 3.052 1.00 0.00 N ATOM 90 CA THR A 8 -5.479 -10.651 2.980 1.00 0.00 C ATOM 91 C THR A 8 -3.979 -10.597 2.700 1.00 0.00 C ATOM 92 O THR A 8 -3.561 -10.234 1.600 1.00 0.00 O ATOM 93 CB THR A 8 -6.172 -11.476 1.881 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.599 -11.355 2.006 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.769 -12.942 1.967 1.00 0.00 C ATOM 0 H THR A 8 -6.057 -8.816 2.159 1.00 0.00 H new ATOM 0 HA THR A 8 -5.653 -11.132 3.943 1.00 0.00 H new ATOM 0 HB THR A 8 -5.858 -11.089 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.033 -12.099 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.272 -13.504 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.690 -13.030 1.843 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.057 -13.342 2.939 1.00 0.00 H new ATOM 103 N PRO A 9 -3.150 -10.945 3.695 1.00 0.00 N ATOM 104 CA PRO A 9 -1.692 -10.931 3.548 1.00 0.00 C ATOM 105 C PRO A 9 -1.181 -12.056 2.645 1.00 0.00 C ATOM 106 O PRO A 9 -1.850 -13.076 2.456 1.00 0.00 O ATOM 107 CB PRO A 9 -1.191 -11.119 4.982 1.00 0.00 C ATOM 108 CG PRO A 9 -2.287 -11.847 5.676 1.00 0.00 C ATOM 109 CD PRO A 9 -3.568 -11.374 5.045 1.00 0.00 C ATOM 0 HA PRO A 9 -1.339 -10.014 3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.262 -11.688 5.005 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.989 -10.160 5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.172 -12.925 5.562 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.279 -11.636 6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.311 -12.170 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.013 -10.553 5.607 1.00 0.00 H new ATOM 117 N SER A 10 -0.008 -11.851 2.072 1.00 0.00 N ATOM 118 CA SER A 10 0.606 -12.839 1.196 1.00 0.00 C ATOM 119 C SER A 10 1.816 -13.471 1.881 1.00 0.00 C ATOM 120 O SER A 10 2.782 -13.865 1.228 1.00 0.00 O ATOM 121 CB SER A 10 1.028 -12.179 -0.118 1.00 0.00 C ATOM 122 OG SER A 10 0.043 -11.257 -0.553 1.00 0.00 O ATOM 0 H SER A 10 0.544 -11.002 2.198 1.00 0.00 H new ATOM 0 HA SER A 10 -0.121 -13.622 0.981 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.980 -11.666 0.016 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.182 -12.942 -0.881 1.00 0.00 H new ATOM 0 HG SER A 10 0.008 -11.254 -1.532 1.00 0.00 H new ATOM 128 N SER A 11 1.747 -13.561 3.204 1.00 0.00 N ATOM 129 CA SER A 11 2.823 -14.128 4.005 1.00 0.00 C ATOM 130 C SER A 11 3.080 -15.590 3.635 1.00 0.00 C ATOM 131 O SER A 11 2.260 -16.466 3.908 1.00 0.00 O ATOM 132 CB SER A 11 2.461 -14.011 5.483 1.00 0.00 C ATOM 133 OG SER A 11 2.026 -12.696 5.793 1.00 0.00 O ATOM 0 H SER A 11 0.946 -13.244 3.750 1.00 0.00 H new ATOM 0 HA SER A 11 3.739 -13.573 3.805 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.675 -14.726 5.727 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.326 -14.267 6.095 1.00 0.00 H new ATOM 0 HG SER A 11 1.797 -12.643 6.744 1.00 0.00 H new ATOM 139 N GLY A 12 4.218 -15.840 3.000 1.00 0.00 N ATOM 140 CA GLY A 12 4.565 -17.192 2.608 1.00 0.00 C ATOM 141 C GLY A 12 4.470 -17.407 1.115 1.00 0.00 C ATOM 142 O GLY A 12 4.850 -18.463 0.605 1.00 0.00 O ATOM 0 H GLY A 12 4.907 -15.131 2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.580 -17.413 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.904 -17.894 3.115 1.00 0.00 H new ATOM 146 N LEU A 13 3.971 -16.410 0.408 1.00 0.00 N ATOM 147 CA LEU A 13 3.838 -16.499 -1.035 1.00 0.00 C ATOM 148 C LEU A 13 4.976 -15.747 -1.708 1.00 0.00 C ATOM 149 O LEU A 13 5.578 -14.864 -1.104 1.00 0.00 O ATOM 150 CB LEU A 13 2.483 -15.939 -1.478 1.00 0.00 C ATOM 151 CG LEU A 13 1.272 -16.735 -0.994 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.007 -15.942 -1.190 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.190 -18.057 -1.735 1.00 0.00 C ATOM 0 H LEU A 13 3.651 -15.529 0.809 1.00 0.00 H new ATOM 0 HA LEU A 13 3.889 -17.546 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.394 -14.914 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.461 -15.897 -2.567 1.00 0.00 H new ATOM 0 HG LEU A 13 1.391 -16.932 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.856 -16.528 -0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.051 -15.012 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.136 -15.715 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.324 -18.618 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.091 -17.869 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.096 -18.635 -1.550 1.00 0.00 H new ATOM 165 N SER A 14 5.287 -16.118 -2.938 1.00 0.00 N ATOM 166 CA SER A 14 6.360 -15.471 -3.682 1.00 0.00 C ATOM 167 C SER A 14 5.876 -14.155 -4.286 1.00 0.00 C ATOM 168 O SER A 14 4.696 -13.806 -4.173 1.00 0.00 O ATOM 169 CB SER A 14 6.864 -16.409 -4.780 1.00 0.00 C ATOM 170 OG SER A 14 6.743 -17.769 -4.381 1.00 0.00 O ATOM 0 H SER A 14 4.812 -16.865 -3.445 1.00 0.00 H new ATOM 0 HA SER A 14 7.180 -15.250 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.296 -16.242 -5.695 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.906 -16.184 -5.006 1.00 0.00 H new ATOM 0 HG SER A 14 7.070 -18.351 -5.099 1.00 0.00 H new ATOM 176 N ASP A 15 6.779 -13.419 -4.927 1.00 0.00 N ATOM 177 CA ASP A 15 6.411 -12.149 -5.537 1.00 0.00 C ATOM 178 C ASP A 15 5.478 -12.385 -6.719 1.00 0.00 C ATOM 179 O ASP A 15 5.481 -13.461 -7.322 1.00 0.00 O ATOM 180 CB ASP A 15 7.651 -11.352 -5.967 1.00 0.00 C ATOM 181 CG ASP A 15 8.202 -11.769 -7.315 1.00 0.00 C ATOM 182 OD1 ASP A 15 7.765 -11.214 -8.344 1.00 0.00 O ATOM 183 OD2 ASP A 15 9.094 -12.641 -7.350 1.00 0.00 O ATOM 0 H ASP A 15 7.760 -13.677 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 15 5.885 -11.553 -4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.398 -10.292 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.429 -11.472 -5.213 1.00 0.00 H new ATOM 188 N GLY A 16 4.674 -11.385 -7.034 1.00 0.00 N ATOM 189 CA GLY A 16 3.727 -11.505 -8.125 1.00 0.00 C ATOM 190 C GLY A 16 2.323 -11.758 -7.616 1.00 0.00 C ATOM 191 O GLY A 16 1.355 -11.702 -8.373 1.00 0.00 O ATOM 0 H GLY A 16 4.658 -10.486 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.740 -10.593 -8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.029 -12.320 -8.783 1.00 0.00 H new ATOM 195 N THR A 17 2.219 -12.034 -6.321 1.00 0.00 N ATOM 196 CA THR A 17 0.937 -12.290 -5.687 1.00 0.00 C ATOM 197 C THR A 17 0.113 -11.008 -5.618 1.00 0.00 C ATOM 198 O THR A 17 0.651 -9.923 -5.383 1.00 0.00 O ATOM 199 CB THR A 17 1.132 -12.863 -4.267 1.00 0.00 C ATOM 200 OG1 THR A 17 2.016 -13.993 -4.320 1.00 0.00 O ATOM 201 CG2 THR A 17 -0.197 -13.292 -3.663 1.00 0.00 C ATOM 0 H THR A 17 3.017 -12.086 -5.687 1.00 0.00 H new ATOM 0 HA THR A 17 0.403 -13.025 -6.289 1.00 0.00 H new ATOM 0 HB THR A 17 1.562 -12.082 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.935 -13.697 -4.155 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.030 -13.692 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.864 -12.432 -3.603 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.650 -14.060 -4.290 1.00 0.00 H new ATOM 209 N VAL A 18 -1.185 -11.131 -5.846 1.00 0.00 N ATOM 210 CA VAL A 18 -2.069 -9.983 -5.813 1.00 0.00 C ATOM 211 C VAL A 18 -2.724 -9.853 -4.443 1.00 0.00 C ATOM 212 O VAL A 18 -3.721 -10.516 -4.152 1.00 0.00 O ATOM 213 CB VAL A 18 -3.162 -10.061 -6.895 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.390 -8.698 -7.523 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.813 -11.083 -7.965 1.00 0.00 C ATOM 0 H VAL A 18 -1.647 -12.016 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.455 -9.105 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.084 -10.384 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.166 -8.774 -8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.704 -7.991 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.464 -8.349 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.606 -11.112 -8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.874 -10.804 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.709 -12.067 -7.508 1.00 0.00 H new ATOM 225 N VAL A 19 -2.146 -8.996 -3.615 1.00 0.00 N ATOM 226 CA VAL A 19 -2.634 -8.752 -2.263 1.00 0.00 C ATOM 227 C VAL A 19 -4.035 -8.151 -2.287 1.00 0.00 C ATOM 228 O VAL A 19 -4.270 -7.132 -2.939 1.00 0.00 O ATOM 229 CB VAL A 19 -1.695 -7.796 -1.490 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.042 -7.770 -0.012 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.240 -8.195 -1.684 1.00 0.00 C ATOM 0 H VAL A 19 -1.322 -8.447 -3.861 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.660 -9.717 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.836 -6.793 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.367 -7.090 0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.069 -7.429 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.939 -8.772 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.402 -7.509 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.089 -9.210 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.011 -8.153 -2.744 1.00 0.00 H new ATOM 241 N LYS A 20 -4.958 -8.790 -1.587 1.00 0.00 N ATOM 242 CA LYS A 20 -6.329 -8.317 -1.521 1.00 0.00 C ATOM 243 C LYS A 20 -6.496 -7.352 -0.357 1.00 0.00 C ATOM 244 O LYS A 20 -6.408 -7.745 0.808 1.00 0.00 O ATOM 245 CB LYS A 20 -7.292 -9.495 -1.367 1.00 0.00 C ATOM 246 CG LYS A 20 -8.734 -9.077 -1.107 1.00 0.00 C ATOM 247 CD LYS A 20 -9.586 -10.255 -0.662 1.00 0.00 C ATOM 248 CE LYS A 20 -9.961 -11.153 -1.831 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.739 -12.341 -1.389 1.00 0.00 N ATOM 0 H LYS A 20 -4.780 -9.642 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.561 -7.795 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.257 -10.103 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.952 -10.126 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.756 -8.301 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.157 -8.643 -2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.043 -10.836 0.083 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.492 -9.887 -0.181 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.546 -10.584 -2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.056 -11.481 -2.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.975 -12.928 -2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.171 -12.898 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.615 -12.029 -0.924 1.00 0.00 H new ATOM 263 N VAL A 21 -6.721 -6.092 -0.672 1.00 0.00 N ATOM 264 CA VAL A 21 -6.908 -5.077 0.348 1.00 0.00 C ATOM 265 C VAL A 21 -8.347 -4.585 0.346 1.00 0.00 C ATOM 266 O VAL A 21 -8.760 -3.844 -0.549 1.00 0.00 O ATOM 267 CB VAL A 21 -5.955 -3.881 0.141 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.116 -2.861 1.260 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.515 -4.361 0.053 1.00 0.00 C ATOM 0 H VAL A 21 -6.779 -5.745 -1.629 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.679 -5.535 1.310 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.214 -3.393 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.434 -2.027 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.142 -2.494 1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.887 -3.331 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.855 -3.506 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.245 -4.874 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.411 -5.047 -0.787 1.00 0.00 H new ATOM 279 N ALA A 22 -9.110 -5.022 1.336 1.00 0.00 N ATOM 280 CA ALA A 22 -10.502 -4.625 1.458 1.00 0.00 C ATOM 281 C ALA A 22 -10.733 -3.893 2.772 1.00 0.00 C ATOM 282 O ALA A 22 -10.223 -4.300 3.820 1.00 0.00 O ATOM 283 CB ALA A 22 -11.415 -5.840 1.354 1.00 0.00 C ATOM 0 H ALA A 22 -8.786 -5.654 2.068 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.740 -3.946 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.454 -5.524 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.269 -6.324 0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.177 -6.543 2.152 1.00 0.00 H new ATOM 289 N GLY A 23 -11.475 -2.805 2.713 1.00 0.00 N ATOM 290 CA GLY A 23 -11.758 -2.042 3.906 1.00 0.00 C ATOM 291 C GLY A 23 -13.152 -1.459 3.894 1.00 0.00 C ATOM 292 O GLY A 23 -13.532 -0.759 2.954 1.00 0.00 O ATOM 0 H GLY A 23 -11.889 -2.434 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.641 -2.682 4.781 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.030 -1.236 4.001 1.00 0.00 H new ATOM 296 N ALA A 24 -13.923 -1.765 4.921 1.00 0.00 N ATOM 297 CA ALA A 24 -15.275 -1.249 5.036 1.00 0.00 C ATOM 298 C ALA A 24 -15.365 -0.285 6.211 1.00 0.00 C ATOM 299 O ALA A 24 -14.486 -0.268 7.075 1.00 0.00 O ATOM 300 CB ALA A 24 -16.273 -2.383 5.187 1.00 0.00 C ATOM 0 H ALA A 24 -13.635 -2.370 5.690 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.523 -0.708 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.279 -1.973 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.218 -3.034 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.039 -2.957 6.083 1.00 0.00 H new ATOM 306 N GLY A 25 -16.421 0.514 6.248 1.00 0.00 N ATOM 307 CA GLY A 25 -16.574 1.476 7.320 1.00 0.00 C ATOM 308 C GLY A 25 -15.695 2.691 7.097 1.00 0.00 C ATOM 309 O GLY A 25 -15.285 3.361 8.047 1.00 0.00 O ATOM 0 H GLY A 25 -17.172 0.514 5.558 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.617 1.786 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.318 1.008 8.271 1.00 0.00 H new ATOM 313 N LEU A 26 -15.407 2.966 5.833 1.00 0.00 N ATOM 314 CA LEU A 26 -14.565 4.092 5.460 1.00 0.00 C ATOM 315 C LEU A 26 -15.421 5.295 5.084 1.00 0.00 C ATOM 316 O LEU A 26 -16.652 5.236 5.159 1.00 0.00 O ATOM 317 CB LEU A 26 -13.645 3.703 4.297 1.00 0.00 C ATOM 318 CG LEU A 26 -12.731 2.501 4.560 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.875 2.199 3.340 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.853 2.748 5.775 1.00 0.00 C ATOM 0 H LEU A 26 -15.748 2.419 5.043 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.947 4.364 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.261 3.486 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.024 4.562 4.043 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.361 1.635 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.234 1.342 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.519 1.972 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.257 3.066 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.213 1.882 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.235 3.629 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.481 2.910 6.651 1.00 0.00 H new ATOM 332 N GLN A 27 -14.775 6.377 4.679 1.00 0.00 N ATOM 333 CA GLN A 27 -15.480 7.593 4.311 1.00 0.00 C ATOM 334 C GLN A 27 -15.855 7.576 2.830 1.00 0.00 C ATOM 335 O GLN A 27 -14.988 7.646 1.958 1.00 0.00 O ATOM 336 CB GLN A 27 -14.617 8.814 4.634 1.00 0.00 C ATOM 337 CG GLN A 27 -15.380 10.128 4.591 1.00 0.00 C ATOM 338 CD GLN A 27 -16.575 10.139 5.527 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.556 9.516 6.587 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.622 10.849 5.140 1.00 0.00 N ATOM 0 H GLN A 27 -13.760 6.437 4.597 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.402 7.650 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.182 8.689 5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.789 8.861 3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.707 10.944 4.857 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.719 10.314 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.598 11.352 4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.454 10.894 5.729 1.00 0.00 H new ATOM 349 N ALA A 28 -17.151 7.482 2.556 1.00 0.00 N ATOM 350 CA ALA A 28 -17.660 7.445 1.190 1.00 0.00 C ATOM 351 C ALA A 28 -17.304 8.717 0.428 1.00 0.00 C ATOM 352 O ALA A 28 -17.681 9.822 0.828 1.00 0.00 O ATOM 353 CB ALA A 28 -19.167 7.248 1.203 1.00 0.00 C ATOM 0 H ALA A 28 -17.876 7.429 3.271 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.190 6.606 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.539 7.221 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.407 6.308 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.637 8.073 1.739 1.00 0.00 H new ATOM 359 N GLY A 29 -16.580 8.558 -0.670 1.00 0.00 N ATOM 360 CA GLY A 29 -16.190 9.700 -1.471 1.00 0.00 C ATOM 361 C GLY A 29 -14.701 9.965 -1.417 1.00 0.00 C ATOM 362 O GLY A 29 -14.159 10.676 -2.264 1.00 0.00 O ATOM 0 H GLY A 29 -16.255 7.657 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.489 9.533 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.726 10.583 -1.123 1.00 0.00 H new ATOM 366 N THR A 30 -14.035 9.394 -0.426 1.00 0.00 N ATOM 367 CA THR A 30 -12.604 9.578 -0.268 1.00 0.00 C ATOM 368 C THR A 30 -11.831 8.561 -1.101 1.00 0.00 C ATOM 369 O THR A 30 -12.255 7.410 -1.242 1.00 0.00 O ATOM 370 CB THR A 30 -12.192 9.445 1.210 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.096 10.197 2.027 1.00 0.00 O ATOM 372 CG2 THR A 30 -10.771 9.946 1.435 1.00 0.00 C ATOM 0 H THR A 30 -14.465 8.798 0.282 1.00 0.00 H new ATOM 0 HA THR A 30 -12.363 10.582 -0.616 1.00 0.00 H new ATOM 0 HB THR A 30 -12.230 8.390 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.626 10.517 2.825 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.510 9.839 2.488 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.079 9.362 0.828 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.706 10.996 1.150 1.00 0.00 H new ATOM 380 N ALA A 31 -10.717 9.000 -1.667 1.00 0.00 N ATOM 381 CA ALA A 31 -9.875 8.137 -2.473 1.00 0.00 C ATOM 382 C ALA A 31 -8.792 7.514 -1.608 1.00 0.00 C ATOM 383 O ALA A 31 -8.028 8.222 -0.951 1.00 0.00 O ATOM 384 CB ALA A 31 -9.251 8.920 -3.617 1.00 0.00 C ATOM 0 H ALA A 31 -10.375 9.957 -1.580 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.490 7.343 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.622 8.257 -4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.039 9.334 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.644 9.731 -3.214 1.00 0.00 H new ATOM 390 N TYR A 32 -8.740 6.195 -1.594 1.00 0.00 N ATOM 391 CA TYR A 32 -7.750 5.484 -0.807 1.00 0.00 C ATOM 392 C TYR A 32 -6.676 4.909 -1.715 1.00 0.00 C ATOM 393 O TYR A 32 -6.964 4.114 -2.613 1.00 0.00 O ATOM 394 CB TYR A 32 -8.416 4.379 0.020 1.00 0.00 C ATOM 395 CG TYR A 32 -9.329 4.913 1.104 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.648 5.252 0.826 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.867 5.093 2.400 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.479 5.753 1.809 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.693 5.596 3.390 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.998 5.924 3.088 1.00 0.00 C ATOM 401 OH TYR A 32 -11.827 6.427 4.068 1.00 0.00 O ATOM 0 H TYR A 32 -9.374 5.593 -2.120 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.279 6.184 -0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.990 3.733 -0.644 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.644 3.760 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.030 5.121 -0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.846 4.836 2.640 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.502 6.010 1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.318 5.731 4.394 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.336 6.485 4.914 1.00 0.00 H new ATOM 411 N ASP A 33 -5.441 5.323 -1.481 1.00 0.00 N ATOM 412 CA ASP A 33 -4.314 4.870 -2.280 1.00 0.00 C ATOM 413 C ASP A 33 -3.606 3.719 -1.594 1.00 0.00 C ATOM 414 O ASP A 33 -3.167 3.837 -0.446 1.00 0.00 O ATOM 415 CB ASP A 33 -3.336 6.015 -2.522 1.00 0.00 C ATOM 416 CG ASP A 33 -3.032 6.202 -3.993 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.042 5.203 -4.736 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.802 7.359 -4.414 1.00 0.00 O ATOM 0 H ASP A 33 -5.193 5.977 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.694 4.525 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.752 6.938 -2.118 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.409 5.820 -1.983 1.00 0.00 H new ATOM 423 N VAL A 34 -3.505 2.600 -2.291 1.00 0.00 N ATOM 424 CA VAL A 34 -2.859 1.427 -1.735 1.00 0.00 C ATOM 425 C VAL A 34 -1.838 0.850 -2.711 1.00 0.00 C ATOM 426 O VAL A 34 -2.152 0.594 -3.876 1.00 0.00 O ATOM 427 CB VAL A 34 -3.882 0.323 -1.372 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.216 -0.772 -0.556 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.084 0.898 -0.626 1.00 0.00 C ATOM 0 H VAL A 34 -3.861 2.481 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.355 1.753 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.249 -0.111 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.950 -1.540 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.407 -1.216 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.813 -0.347 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.782 0.095 -0.387 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.747 1.373 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.582 1.637 -1.254 1.00 0.00 H new ATOM 439 N GLY A 35 -0.608 0.690 -2.241 1.00 0.00 N ATOM 440 CA GLY A 35 0.438 0.113 -3.059 1.00 0.00 C ATOM 441 C GLY A 35 1.438 -0.641 -2.213 1.00 0.00 C ATOM 442 O GLY A 35 1.308 -0.677 -0.987 1.00 0.00 O ATOM 0 H GLY A 35 -0.316 0.952 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.002 -0.561 -3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.947 0.902 -3.613 1.00 0.00 H new ATOM 446 N GLN A 36 2.425 -1.261 -2.840 1.00 0.00 N ATOM 447 CA GLN A 36 3.438 -1.979 -2.088 1.00 0.00 C ATOM 448 C GLN A 36 4.531 -1.004 -1.685 1.00 0.00 C ATOM 449 O GLN A 36 5.061 -0.267 -2.518 1.00 0.00 O ATOM 450 CB GLN A 36 4.012 -3.154 -2.888 1.00 0.00 C ATOM 451 CG GLN A 36 4.743 -2.745 -4.155 1.00 0.00 C ATOM 452 CD GLN A 36 5.612 -3.849 -4.721 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.747 -3.976 -5.932 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.220 -4.647 -3.854 1.00 0.00 N ATOM 0 H GLN A 36 2.545 -1.282 -3.853 1.00 0.00 H new ATOM 0 HA GLN A 36 2.981 -2.406 -1.195 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.697 -3.713 -2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.199 -3.830 -3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.014 -2.443 -4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.363 -1.874 -3.945 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.083 -4.510 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.824 -5.397 -4.189 1.00 0.00 H new ATOM 463 N CYS A 37 4.841 -0.967 -0.406 1.00 0.00 N ATOM 464 CA CYS A 37 5.852 -0.057 0.093 1.00 0.00 C ATOM 465 C CYS A 37 6.839 -0.789 0.988 1.00 0.00 C ATOM 466 O CYS A 37 6.610 -1.935 1.363 1.00 0.00 O ATOM 467 CB CYS A 37 5.183 1.077 0.871 1.00 0.00 C ATOM 468 SG CYS A 37 3.508 1.493 0.284 1.00 0.00 S ATOM 0 H CYS A 37 4.409 -1.555 0.306 1.00 0.00 H new ATOM 0 HA CYS A 37 6.399 0.357 -0.754 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.129 0.799 1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.810 1.966 0.808 1.00 0.00 H new ATOM 473 N ALA A 38 7.941 -0.134 1.311 1.00 0.00 N ATOM 474 CA ALA A 38 8.950 -0.710 2.182 1.00 0.00 C ATOM 475 C ALA A 38 9.834 0.392 2.741 1.00 0.00 C ATOM 476 O ALA A 38 9.630 1.568 2.429 1.00 0.00 O ATOM 477 CB ALA A 38 9.775 -1.756 1.441 1.00 0.00 C ATOM 0 H ALA A 38 8.160 0.805 0.979 1.00 0.00 H new ATOM 0 HA ALA A 38 8.455 -1.214 3.012 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.524 -2.173 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.120 -2.553 1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.272 -1.291 0.589 1.00 0.00 H new ATOM 483 N TRP A 39 10.801 0.020 3.569 1.00 0.00 N ATOM 484 CA TRP A 39 11.702 0.989 4.173 1.00 0.00 C ATOM 485 C TRP A 39 12.706 1.493 3.147 1.00 0.00 C ATOM 486 O TRP A 39 13.627 0.777 2.754 1.00 0.00 O ATOM 487 CB TRP A 39 12.441 0.370 5.363 1.00 0.00 C ATOM 488 CG TRP A 39 11.526 -0.211 6.400 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.129 -1.513 6.506 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.895 0.490 7.478 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.290 -1.664 7.581 1.00 0.00 N ATOM 492 CE2 TRP A 39 10.130 -0.450 8.195 1.00 0.00 C ATOM 493 CE3 TRP A 39 10.901 1.821 7.907 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.381 -0.101 9.315 1.00 0.00 C ATOM 495 CZ3 TRP A 39 10.159 2.164 9.020 1.00 0.00 C ATOM 496 CH2 TRP A 39 9.406 1.206 9.713 1.00 0.00 C ATOM 0 H TRP A 39 10.981 -0.948 3.837 1.00 0.00 H new ATOM 0 HA TRP A 39 11.107 1.830 4.529 1.00 0.00 H new ATOM 0 HB2 TRP A 39 13.108 -0.412 4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.067 1.132 5.828 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.431 -2.308 5.841 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.856 -2.539 7.875 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.475 2.567 7.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.800 -0.837 9.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.159 3.188 9.363 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.834 1.507 10.579 1.00 0.00 H new ATOM 507 N VAL A 40 12.512 2.720 2.698 1.00 0.00 N ATOM 508 CA VAL A 40 13.407 3.320 1.726 1.00 0.00 C ATOM 509 C VAL A 40 14.536 4.053 2.448 1.00 0.00 C ATOM 510 O VAL A 40 15.605 4.295 1.884 1.00 0.00 O ATOM 511 CB VAL A 40 12.649 4.279 0.774 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.233 5.558 1.488 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.492 4.588 -0.455 1.00 0.00 C ATOM 0 H VAL A 40 11.742 3.321 2.992 1.00 0.00 H new ATOM 0 HA VAL A 40 13.833 2.525 1.114 1.00 0.00 H new ATOM 0 HB VAL A 40 11.738 3.777 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.704 6.208 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.578 5.312 2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.119 6.071 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.944 5.263 -1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.425 5.060 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.712 3.663 -0.987 1.00 0.00 H new ATOM 523 N ASP A 41 14.292 4.376 3.713 1.00 0.00 N ATOM 524 CA ASP A 41 15.266 5.064 4.544 1.00 0.00 C ATOM 525 C ASP A 41 14.956 4.784 6.007 1.00 0.00 C ATOM 526 O ASP A 41 13.975 4.104 6.311 1.00 0.00 O ATOM 527 CB ASP A 41 15.241 6.574 4.282 1.00 0.00 C ATOM 528 CG ASP A 41 16.606 7.213 4.442 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.107 7.283 5.584 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.184 7.646 3.423 1.00 0.00 O ATOM 0 H ASP A 41 13.414 4.168 4.188 1.00 0.00 H new ATOM 0 HA ASP A 41 16.263 4.697 4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.873 6.758 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.539 7.047 4.969 1.00 0.00 H new ATOM 535 N THR A 42 15.766 5.309 6.910 1.00 0.00 N ATOM 536 CA THR A 42 15.543 5.094 8.331 1.00 0.00 C ATOM 537 C THR A 42 14.282 5.817 8.792 1.00 0.00 C ATOM 538 O THR A 42 14.272 7.040 8.936 1.00 0.00 O ATOM 539 CB THR A 42 16.747 5.568 9.163 1.00 0.00 C ATOM 540 OG1 THR A 42 17.964 5.061 8.593 1.00 0.00 O ATOM 541 CG2 THR A 42 16.625 5.097 10.601 1.00 0.00 C ATOM 0 H THR A 42 16.579 5.884 6.688 1.00 0.00 H new ATOM 0 HA THR A 42 15.417 4.022 8.485 1.00 0.00 H new ATOM 0 HB THR A 42 16.765 6.658 9.152 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.727 5.367 9.126 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.487 5.443 11.172 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.713 5.501 11.040 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.588 4.008 10.625 1.00 0.00 H new ATOM 549 N GLY A 43 13.214 5.054 8.988 1.00 0.00 N ATOM 550 CA GLY A 43 11.957 5.628 9.419 1.00 0.00 C ATOM 551 C GLY A 43 11.137 6.156 8.261 1.00 0.00 C ATOM 552 O GLY A 43 10.030 6.655 8.453 1.00 0.00 O ATOM 0 H GLY A 43 13.198 4.043 8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.381 4.874 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.152 6.438 10.122 1.00 0.00 H new ATOM 556 N VAL A 44 11.667 6.037 7.054 1.00 0.00 N ATOM 557 CA VAL A 44 10.972 6.526 5.876 1.00 0.00 C ATOM 558 C VAL A 44 10.570 5.372 4.974 1.00 0.00 C ATOM 559 O VAL A 44 11.415 4.585 4.540 1.00 0.00 O ATOM 560 CB VAL A 44 11.829 7.518 5.062 1.00 0.00 C ATOM 561 CG1 VAL A 44 11.010 8.158 3.950 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.430 8.585 5.966 1.00 0.00 C ATOM 0 H VAL A 44 12.573 5.608 6.866 1.00 0.00 H new ATOM 0 HA VAL A 44 10.085 7.049 6.234 1.00 0.00 H new ATOM 0 HB VAL A 44 12.645 6.959 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.636 8.853 3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.639 7.383 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.167 8.697 4.383 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.030 9.272 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.630 9.137 6.460 1.00 0.00 H new ATOM 0 HG23 VAL A 44 13.062 8.111 6.718 1.00 0.00 H new ATOM 572 N LEU A 45 9.281 5.271 4.707 1.00 0.00 N ATOM 573 CA LEU A 45 8.758 4.229 3.846 1.00 0.00 C ATOM 574 C LEU A 45 8.360 4.842 2.513 1.00 0.00 C ATOM 575 O LEU A 45 8.116 6.044 2.434 1.00 0.00 O ATOM 576 CB LEU A 45 7.559 3.542 4.497 1.00 0.00 C ATOM 577 CG LEU A 45 7.877 2.759 5.773 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.099 3.324 6.952 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.561 1.283 5.582 1.00 0.00 C ATOM 0 H LEU A 45 8.573 5.904 5.078 1.00 0.00 H new ATOM 0 HA LEU A 45 9.528 3.474 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.809 4.298 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.112 2.861 3.773 1.00 0.00 H new ATOM 0 HG LEU A 45 8.942 2.859 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.337 2.755 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.372 4.369 7.101 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.030 3.253 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.793 0.740 6.498 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.503 1.165 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.161 0.886 4.763 1.00 0.00 H new ATOM 591 N ALA A 46 8.316 4.033 1.468 1.00 0.00 N ATOM 592 CA ALA A 46 7.955 4.529 0.148 1.00 0.00 C ATOM 593 C ALA A 46 7.353 3.428 -0.713 1.00 0.00 C ATOM 594 O ALA A 46 7.715 2.261 -0.571 1.00 0.00 O ATOM 595 CB ALA A 46 9.180 5.118 -0.526 1.00 0.00 C ATOM 0 H ALA A 46 8.524 3.035 1.506 1.00 0.00 H new ATOM 0 HA ALA A 46 7.198 5.304 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.908 5.489 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.567 5.940 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.946 4.349 -0.625 1.00 0.00 H new ATOM 601 N CYS A 47 6.439 3.810 -1.602 1.00 0.00 N ATOM 602 CA CYS A 47 5.773 2.853 -2.490 1.00 0.00 C ATOM 603 C CYS A 47 6.103 3.148 -3.947 1.00 0.00 C ATOM 604 O CYS A 47 6.812 4.108 -4.248 1.00 0.00 O ATOM 605 CB CYS A 47 4.254 2.906 -2.302 1.00 0.00 C ATOM 606 SG CYS A 47 3.720 3.304 -0.609 1.00 0.00 S ATOM 0 H CYS A 47 6.140 4.777 -1.729 1.00 0.00 H new ATOM 0 HA CYS A 47 6.135 1.858 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.841 3.649 -2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.831 1.943 -2.586 1.00 0.00 H new ATOM 611 N ASN A 48 5.573 2.328 -4.849 1.00 0.00 N ATOM 612 CA ASN A 48 5.810 2.500 -6.275 1.00 0.00 C ATOM 613 C ASN A 48 4.554 2.989 -7.000 1.00 0.00 C ATOM 614 O ASN A 48 3.516 2.321 -7.009 1.00 0.00 O ATOM 615 CB ASN A 48 6.325 1.194 -6.899 1.00 0.00 C ATOM 616 CG ASN A 48 5.400 0.000 -6.700 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.555 -0.025 -5.801 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.565 -1.009 -7.538 1.00 0.00 N ATOM 0 H ASN A 48 4.975 1.536 -4.615 1.00 0.00 H new ATOM 0 HA ASN A 48 6.576 3.267 -6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.475 1.349 -7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.300 0.960 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.984 -1.843 -7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.274 -0.954 -8.270 1.00 0.00 H new ATOM 625 N PRO A 49 4.639 4.174 -7.628 1.00 0.00 N ATOM 626 CA PRO A 49 3.522 4.778 -8.359 1.00 0.00 C ATOM 627 C PRO A 49 3.306 4.154 -9.739 1.00 0.00 C ATOM 628 O PRO A 49 3.238 4.855 -10.752 1.00 0.00 O ATOM 629 CB PRO A 49 3.948 6.241 -8.486 1.00 0.00 C ATOM 630 CG PRO A 49 5.433 6.192 -8.530 1.00 0.00 C ATOM 631 CD PRO A 49 5.843 5.027 -7.666 1.00 0.00 C ATOM 0 HA PRO A 49 2.572 4.634 -7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.539 6.697 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.595 6.832 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.788 6.062 -9.552 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.864 7.122 -8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.696 4.496 -8.089 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.134 5.353 -6.667 1.00 0.00 H new ATOM 639 N ALA A 50 3.199 2.834 -9.768 1.00 0.00 N ATOM 640 CA ALA A 50 2.971 2.104 -11.006 1.00 0.00 C ATOM 641 C ALA A 50 2.131 0.867 -10.740 1.00 0.00 C ATOM 642 O ALA A 50 1.092 0.658 -11.368 1.00 0.00 O ATOM 643 CB ALA A 50 4.288 1.720 -11.659 1.00 0.00 C ATOM 0 H ALA A 50 3.267 2.242 -8.940 1.00 0.00 H new ATOM 0 HA ALA A 50 2.429 2.755 -11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.091 1.175 -12.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.859 2.621 -11.884 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.860 1.088 -10.980 1.00 0.00 H new ATOM 649 N ASP A 51 2.572 0.052 -9.793 1.00 0.00 N ATOM 650 CA ASP A 51 1.847 -1.162 -9.445 1.00 0.00 C ATOM 651 C ASP A 51 0.732 -0.841 -8.461 1.00 0.00 C ATOM 652 O ASP A 51 -0.074 -1.702 -8.116 1.00 0.00 O ATOM 653 CB ASP A 51 2.788 -2.205 -8.844 1.00 0.00 C ATOM 654 CG ASP A 51 2.825 -3.486 -9.654 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.809 -4.209 -9.682 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.868 -3.768 -10.283 1.00 0.00 O ATOM 0 H ASP A 51 3.424 0.208 -9.254 1.00 0.00 H new ATOM 0 HA ASP A 51 1.414 -1.574 -10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.794 -1.789 -8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.472 -2.431 -7.826 1.00 0.00 H new ATOM 661 N PHE A 52 0.699 0.405 -8.007 1.00 0.00 N ATOM 662 CA PHE A 52 -0.318 0.853 -7.070 1.00 0.00 C ATOM 663 C PHE A 52 -1.686 0.888 -7.749 1.00 0.00 C ATOM 664 O PHE A 52 -1.785 1.090 -8.960 1.00 0.00 O ATOM 665 CB PHE A 52 0.051 2.232 -6.498 1.00 0.00 C ATOM 666 CG PHE A 52 -0.305 3.405 -7.381 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.112 3.466 -8.701 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.053 4.454 -6.877 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.214 4.549 -9.499 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.380 5.538 -7.667 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.960 5.586 -8.981 1.00 0.00 C ATOM 0 H PHE A 52 1.369 1.125 -8.275 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.369 0.147 -6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.448 2.355 -5.537 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.124 2.254 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.699 2.658 -9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.386 4.424 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.116 4.582 -10.527 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.964 6.348 -7.257 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.215 6.433 -9.601 1.00 0.00 H new ATOM 681 N SER A 53 -2.733 0.671 -6.975 1.00 0.00 N ATOM 682 CA SER A 53 -4.083 0.673 -7.509 1.00 0.00 C ATOM 683 C SER A 53 -5.029 1.379 -6.549 1.00 0.00 C ATOM 684 O SER A 53 -5.609 0.752 -5.655 1.00 0.00 O ATOM 685 CB SER A 53 -4.551 -0.762 -7.772 1.00 0.00 C ATOM 686 OG SER A 53 -3.622 -1.454 -8.592 1.00 0.00 O ATOM 0 H SER A 53 -2.675 0.491 -5.973 1.00 0.00 H new ATOM 0 HA SER A 53 -4.086 1.215 -8.455 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.670 -1.289 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.528 -0.748 -8.254 1.00 0.00 H new ATOM 0 HG SER A 53 -3.939 -2.368 -8.746 1.00 0.00 H new ATOM 692 N SER A 54 -5.148 2.687 -6.729 1.00 0.00 N ATOM 693 CA SER A 54 -6.013 3.508 -5.902 1.00 0.00 C ATOM 694 C SER A 54 -7.460 3.045 -6.013 1.00 0.00 C ATOM 695 O SER A 54 -7.904 2.608 -7.078 1.00 0.00 O ATOM 696 CB SER A 54 -5.895 4.971 -6.330 1.00 0.00 C ATOM 697 OG SER A 54 -4.593 5.250 -6.825 1.00 0.00 O ATOM 0 H SER A 54 -4.648 3.205 -7.451 1.00 0.00 H new ATOM 0 HA SER A 54 -5.701 3.410 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.636 5.190 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.113 5.621 -5.483 1.00 0.00 H new ATOM 0 HG SER A 54 -3.924 4.873 -6.216 1.00 0.00 H new ATOM 703 N VAL A 55 -8.181 3.122 -4.911 1.00 0.00 N ATOM 704 CA VAL A 55 -9.575 2.724 -4.883 1.00 0.00 C ATOM 705 C VAL A 55 -10.411 3.778 -4.163 1.00 0.00 C ATOM 706 O VAL A 55 -10.094 4.187 -3.045 1.00 0.00 O ATOM 707 CB VAL A 55 -9.761 1.337 -4.213 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.098 1.286 -2.842 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.237 0.978 -4.108 1.00 0.00 C ATOM 0 H VAL A 55 -7.821 3.459 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.917 2.641 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.271 0.599 -4.848 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.248 0.300 -2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.030 1.478 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.541 2.043 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.341 0.001 -3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.752 1.728 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.676 0.947 -5.105 1.00 0.00 H new ATOM 719 N THR A 56 -11.457 4.244 -4.820 1.00 0.00 N ATOM 720 CA THR A 56 -12.329 5.239 -4.232 1.00 0.00 C ATOM 721 C THR A 56 -13.412 4.550 -3.402 1.00 0.00 C ATOM 722 O THR A 56 -13.919 3.490 -3.780 1.00 0.00 O ATOM 723 CB THR A 56 -12.957 6.153 -5.317 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.594 7.284 -4.708 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.966 5.398 -6.175 1.00 0.00 C ATOM 0 H THR A 56 -11.722 3.949 -5.760 1.00 0.00 H new ATOM 0 HA THR A 56 -11.735 5.877 -3.578 1.00 0.00 H new ATOM 0 HB THR A 56 -12.149 6.494 -5.964 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.985 7.853 -5.404 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.384 6.072 -6.923 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.469 4.566 -6.673 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.767 5.016 -5.543 1.00 0.00 H new ATOM 733 N ALA A 57 -13.730 5.123 -2.251 1.00 0.00 N ATOM 734 CA ALA A 57 -14.747 4.552 -1.384 1.00 0.00 C ATOM 735 C ALA A 57 -16.132 4.778 -1.968 1.00 0.00 C ATOM 736 O ALA A 57 -16.493 5.901 -2.330 1.00 0.00 O ATOM 737 CB ALA A 57 -14.652 5.142 0.011 1.00 0.00 C ATOM 0 H ALA A 57 -13.301 5.978 -1.898 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.575 3.478 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.422 4.702 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.669 4.927 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.797 6.221 -0.040 1.00 0.00 H new ATOM 743 N ASP A 58 -16.899 3.705 -2.060 1.00 0.00 N ATOM 744 CA ASP A 58 -18.249 3.762 -2.609 1.00 0.00 C ATOM 745 C ASP A 58 -19.224 4.360 -1.606 1.00 0.00 C ATOM 746 O ASP A 58 -18.853 4.678 -0.477 1.00 0.00 O ATOM 747 CB ASP A 58 -18.722 2.363 -3.022 1.00 0.00 C ATOM 748 CG ASP A 58 -18.461 1.304 -1.963 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.854 1.500 -0.795 1.00 0.00 O ATOM 750 OD2 ASP A 58 -17.857 0.264 -2.302 1.00 0.00 O ATOM 0 H ASP A 58 -16.609 2.774 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.222 4.404 -3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.790 2.397 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.220 2.075 -3.946 1.00 0.00 H new ATOM 755 N ALA A 59 -20.476 4.500 -2.029 1.00 0.00 N ATOM 756 CA ALA A 59 -21.528 5.058 -1.185 1.00 0.00 C ATOM 757 C ALA A 59 -21.795 4.177 0.032 1.00 0.00 C ATOM 758 O ALA A 59 -22.351 4.630 1.035 1.00 0.00 O ATOM 759 CB ALA A 59 -22.803 5.248 -1.994 1.00 0.00 C ATOM 0 H ALA A 59 -20.790 4.232 -2.962 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.189 6.028 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.581 5.665 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.610 5.930 -2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.132 4.286 -2.386 1.00 0.00 H new ATOM 765 N ASN A 60 -21.383 2.920 -0.056 1.00 0.00 N ATOM 766 CA ASN A 60 -21.567 1.974 1.039 1.00 0.00 C ATOM 767 C ASN A 60 -20.497 2.198 2.097 1.00 0.00 C ATOM 768 O ASN A 60 -20.610 1.724 3.227 1.00 0.00 O ATOM 769 CB ASN A 60 -21.497 0.528 0.536 1.00 0.00 C ATOM 770 CG ASN A 60 -22.584 0.189 -0.462 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.713 0.676 -0.366 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.251 -0.648 -1.428 1.00 0.00 N ATOM 0 H ASN A 60 -20.918 2.530 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.554 2.141 1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.524 0.357 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.570 -0.149 1.387 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.940 -0.915 -2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.305 -1.028 -1.470 1.00 0.00 H new ATOM 779 N GLY A 61 -19.458 2.933 1.718 1.00 0.00 N ATOM 780 CA GLY A 61 -18.366 3.215 2.624 1.00 0.00 C ATOM 781 C GLY A 61 -17.351 2.098 2.629 1.00 0.00 C ATOM 782 O GLY A 61 -16.716 1.821 3.649 1.00 0.00 O ATOM 0 H GLY A 61 -19.355 3.341 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.882 4.147 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.756 3.359 3.632 1.00 0.00 H new ATOM 786 N SER A 62 -17.200 1.450 1.487 1.00 0.00 N ATOM 787 CA SER A 62 -16.267 0.346 1.359 1.00 0.00 C ATOM 788 C SER A 62 -15.283 0.580 0.219 1.00 0.00 C ATOM 789 O SER A 62 -15.520 1.407 -0.668 1.00 0.00 O ATOM 790 CB SER A 62 -17.048 -0.945 1.127 1.00 0.00 C ATOM 791 OG SER A 62 -18.441 -0.681 1.043 1.00 0.00 O ATOM 0 H SER A 62 -17.713 1.671 0.634 1.00 0.00 H new ATOM 0 HA SER A 62 -15.690 0.268 2.280 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.707 -1.422 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.854 -1.644 1.940 1.00 0.00 H new ATOM 0 HG SER A 62 -18.611 -0.054 0.310 1.00 0.00 H new ATOM 797 N ALA A 63 -14.172 -0.139 0.263 1.00 0.00 N ATOM 798 CA ALA A 63 -13.143 -0.045 -0.758 1.00 0.00 C ATOM 799 C ALA A 63 -12.384 -1.360 -0.850 1.00 0.00 C ATOM 800 O ALA A 63 -11.922 -1.883 0.162 1.00 0.00 O ATOM 801 CB ALA A 63 -12.192 1.098 -0.447 1.00 0.00 C ATOM 0 H ALA A 63 -13.959 -0.803 1.007 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.616 0.156 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.427 1.155 -1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.748 2.035 -0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.718 0.925 0.519 1.00 0.00 H new ATOM 807 N SER A 64 -12.276 -1.899 -2.053 1.00 0.00 N ATOM 808 CA SER A 64 -11.579 -3.156 -2.269 1.00 0.00 C ATOM 809 C SER A 64 -10.651 -3.029 -3.470 1.00 0.00 C ATOM 810 O SER A 64 -11.070 -2.595 -4.542 1.00 0.00 O ATOM 811 CB SER A 64 -12.587 -4.287 -2.493 1.00 0.00 C ATOM 812 OG SER A 64 -12.114 -5.515 -1.962 1.00 0.00 O ATOM 0 H SER A 64 -12.665 -1.483 -2.899 1.00 0.00 H new ATOM 0 HA SER A 64 -10.985 -3.392 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.537 -4.028 -2.025 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.778 -4.400 -3.560 1.00 0.00 H new ATOM 0 HG SER A 64 -12.780 -6.217 -2.119 1.00 0.00 H new ATOM 818 N THR A 65 -9.389 -3.393 -3.287 1.00 0.00 N ATOM 819 CA THR A 65 -8.411 -3.311 -4.360 1.00 0.00 C ATOM 820 C THR A 65 -7.417 -4.468 -4.273 1.00 0.00 C ATOM 821 O THR A 65 -7.344 -5.167 -3.257 1.00 0.00 O ATOM 822 CB THR A 65 -7.658 -1.960 -4.318 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.821 -1.811 -5.471 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.819 -1.833 -3.055 1.00 0.00 C ATOM 0 H THR A 65 -9.020 -3.748 -2.405 1.00 0.00 H new ATOM 0 HA THR A 65 -8.946 -3.380 -5.307 1.00 0.00 H new ATOM 0 HB THR A 65 -8.407 -1.168 -4.316 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.422 -0.916 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.303 -0.873 -3.056 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.466 -1.896 -2.180 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.086 -2.639 -3.023 1.00 0.00 H new ATOM 832 N SER A 66 -6.664 -4.676 -5.344 1.00 0.00 N ATOM 833 CA SER A 66 -5.677 -5.744 -5.398 1.00 0.00 C ATOM 834 C SER A 66 -4.322 -5.178 -5.809 1.00 0.00 C ATOM 835 O SER A 66 -4.228 -4.413 -6.769 1.00 0.00 O ATOM 836 CB SER A 66 -6.130 -6.823 -6.378 1.00 0.00 C ATOM 837 OG SER A 66 -7.519 -7.076 -6.243 1.00 0.00 O ATOM 0 H SER A 66 -6.719 -4.114 -6.193 1.00 0.00 H new ATOM 0 HA SER A 66 -5.579 -6.194 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.911 -6.509 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.570 -7.741 -6.200 1.00 0.00 H new ATOM 0 HG SER A 66 -7.789 -7.769 -6.881 1.00 0.00 H new ATOM 843 N LEU A 67 -3.279 -5.552 -5.078 1.00 0.00 N ATOM 844 CA LEU A 67 -1.937 -5.050 -5.356 1.00 0.00 C ATOM 845 C LEU A 67 -0.954 -6.176 -5.646 1.00 0.00 C ATOM 846 O LEU A 67 -0.780 -7.085 -4.840 1.00 0.00 O ATOM 847 CB LEU A 67 -1.421 -4.225 -4.172 1.00 0.00 C ATOM 848 CG LEU A 67 -1.955 -2.798 -4.087 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.909 -2.127 -5.446 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.364 -2.783 -3.520 1.00 0.00 C ATOM 0 H LEU A 67 -3.335 -6.199 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.009 -4.423 -6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.676 -4.746 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.333 -4.185 -4.225 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.314 -2.233 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.294 -1.111 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.879 -2.097 -5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.521 -2.690 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.725 -1.756 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.022 -3.366 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.358 -3.216 -2.520 1.00 0.00 H new ATOM 862 N THR A 68 -0.303 -6.099 -6.794 1.00 0.00 N ATOM 863 CA THR A 68 0.680 -7.095 -7.180 1.00 0.00 C ATOM 864 C THR A 68 2.022 -6.773 -6.528 1.00 0.00 C ATOM 865 O THR A 68 2.736 -5.874 -6.969 1.00 0.00 O ATOM 866 CB THR A 68 0.838 -7.148 -8.711 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.459 -7.132 -9.333 1.00 0.00 O ATOM 868 CG2 THR A 68 1.597 -8.397 -9.134 1.00 0.00 C ATOM 0 H THR A 68 -0.439 -5.354 -7.477 1.00 0.00 H new ATOM 0 HA THR A 68 0.335 -8.071 -6.839 1.00 0.00 H new ATOM 0 HB THR A 68 1.407 -6.275 -9.030 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.355 -7.164 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.696 -8.412 -10.219 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.588 -8.392 -8.679 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.052 -9.282 -8.807 1.00 0.00 H new ATOM 876 N VAL A 69 2.347 -7.492 -5.462 1.00 0.00 N ATOM 877 CA VAL A 69 3.589 -7.262 -4.741 1.00 0.00 C ATOM 878 C VAL A 69 4.790 -7.816 -5.510 1.00 0.00 C ATOM 879 O VAL A 69 4.940 -9.027 -5.687 1.00 0.00 O ATOM 880 CB VAL A 69 3.534 -7.846 -3.300 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.236 -9.343 -3.314 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.832 -7.562 -2.553 1.00 0.00 C ATOM 0 H VAL A 69 1.767 -8.239 -5.079 1.00 0.00 H new ATOM 0 HA VAL A 69 3.715 -6.183 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 69 2.717 -7.351 -2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.205 -9.717 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.273 -9.518 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.017 -9.864 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.772 -7.979 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.666 -8.019 -3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.988 -6.485 -2.490 1.00 0.00 H new ATOM 892 N ARG A 70 5.618 -6.912 -6.005 1.00 0.00 N ATOM 893 CA ARG A 70 6.814 -7.288 -6.742 1.00 0.00 C ATOM 894 C ARG A 70 7.963 -7.527 -5.773 1.00 0.00 C ATOM 895 O ARG A 70 7.858 -7.203 -4.586 1.00 0.00 O ATOM 896 CB ARG A 70 7.206 -6.194 -7.737 1.00 0.00 C ATOM 897 CG ARG A 70 6.069 -5.740 -8.640 1.00 0.00 C ATOM 898 CD ARG A 70 5.649 -6.829 -9.610 1.00 0.00 C ATOM 899 NE ARG A 70 4.668 -6.343 -10.579 1.00 0.00 N ATOM 900 CZ ARG A 70 4.243 -7.040 -11.631 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.693 -8.272 -11.844 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.363 -6.502 -12.466 1.00 0.00 N ATOM 0 H ARG A 70 5.483 -5.906 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 70 6.602 -8.203 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.583 -5.333 -7.185 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.025 -6.558 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.215 -5.448 -8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.379 -4.856 -9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.526 -7.204 -10.137 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.228 -7.667 -9.055 1.00 0.00 H new ATOM 0 HE ARG A 70 4.284 -5.408 -10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.367 -8.687 -11.200 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.365 -8.802 -12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.015 -5.558 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.035 -7.033 -13.273 1.00 0.00 H new ATOM 916 N ARG A 71 9.057 -8.084 -6.277 1.00 0.00 N ATOM 917 CA ARG A 71 10.222 -8.361 -5.447 1.00 0.00 C ATOM 918 C ARG A 71 11.005 -7.075 -5.184 1.00 0.00 C ATOM 919 O ARG A 71 11.510 -6.858 -4.085 1.00 0.00 O ATOM 920 CB ARG A 71 11.118 -9.403 -6.123 1.00 0.00 C ATOM 921 CG ARG A 71 12.069 -10.103 -5.167 1.00 0.00 C ATOM 922 CD ARG A 71 11.353 -11.121 -4.291 1.00 0.00 C ATOM 923 NE ARG A 71 10.822 -12.240 -5.075 1.00 0.00 N ATOM 924 CZ ARG A 71 10.766 -13.502 -4.644 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.189 -13.816 -3.426 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.265 -14.445 -5.430 1.00 0.00 N ATOM 0 H ARG A 71 9.162 -8.353 -7.255 1.00 0.00 H new ATOM 0 HA ARG A 71 9.883 -8.761 -4.491 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.489 -10.150 -6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.698 -8.917 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.852 -10.603 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.558 -9.362 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.043 -11.501 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.538 -10.632 -3.758 1.00 0.00 H new ATOM 0 HE ARG A 71 10.472 -12.041 -6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.560 -13.091 -2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.143 -14.783 -3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.924 -14.205 -6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.221 -15.410 -5.104 1.00 0.00 H new ATOM 940 N SER A 72 11.090 -6.225 -6.195 1.00 0.00 N ATOM 941 CA SER A 72 11.793 -4.951 -6.082 1.00 0.00 C ATOM 942 C SER A 72 10.947 -3.850 -6.719 1.00 0.00 C ATOM 943 O SER A 72 10.146 -4.134 -7.613 1.00 0.00 O ATOM 944 CB SER A 72 13.164 -5.045 -6.759 1.00 0.00 C ATOM 945 OG SER A 72 13.789 -6.290 -6.476 1.00 0.00 O ATOM 0 H SER A 72 10.678 -6.394 -7.112 1.00 0.00 H new ATOM 0 HA SER A 72 11.951 -4.711 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.050 -4.928 -7.837 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.800 -4.229 -6.416 1.00 0.00 H new ATOM 0 HG SER A 72 14.325 -6.209 -5.659 1.00 0.00 H new ATOM 951 N PHE A 73 11.111 -2.610 -6.263 1.00 0.00 N ATOM 952 CA PHE A 73 10.329 -1.494 -6.792 1.00 0.00 C ATOM 953 C PHE A 73 10.963 -0.151 -6.435 1.00 0.00 C ATOM 954 O PHE A 73 11.947 -0.092 -5.695 1.00 0.00 O ATOM 955 CB PHE A 73 8.892 -1.560 -6.253 1.00 0.00 C ATOM 956 CG PHE A 73 8.797 -1.587 -4.749 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.990 -2.768 -4.050 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.510 -0.435 -4.039 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.896 -2.798 -2.674 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.415 -0.459 -2.662 1.00 0.00 C ATOM 961 CZ PHE A 73 8.609 -1.641 -1.980 1.00 0.00 C ATOM 0 H PHE A 73 11.775 -2.353 -5.532 1.00 0.00 H new ATOM 0 HA PHE A 73 10.312 -1.578 -7.879 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.336 -0.700 -6.626 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.407 -2.450 -6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.217 -3.676 -4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.358 0.494 -4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.047 -3.725 -2.141 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.189 0.447 -2.120 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.536 -1.661 -0.903 1.00 0.00 H new ATOM 971 N GLU A 74 10.405 0.924 -6.980 1.00 0.00 N ATOM 972 CA GLU A 74 10.902 2.270 -6.726 1.00 0.00 C ATOM 973 C GLU A 74 10.300 2.829 -5.440 1.00 0.00 C ATOM 974 O GLU A 74 9.228 2.411 -5.009 1.00 0.00 O ATOM 975 CB GLU A 74 10.579 3.196 -7.908 1.00 0.00 C ATOM 976 CG GLU A 74 10.964 2.626 -9.267 1.00 0.00 C ATOM 977 CD GLU A 74 9.812 1.922 -9.952 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.922 1.400 -9.250 1.00 0.00 O ATOM 979 OE2 GLU A 74 9.778 1.907 -11.200 1.00 0.00 O ATOM 0 H GLU A 74 9.601 0.888 -7.606 1.00 0.00 H new ATOM 0 HA GLU A 74 11.985 2.218 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.510 3.411 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.096 4.145 -7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.324 3.432 -9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.790 1.926 -9.142 1.00 0.00 H new ATOM 986 N GLY A 75 10.994 3.774 -4.830 1.00 0.00 N ATOM 987 CA GLY A 75 10.513 4.363 -3.601 1.00 0.00 C ATOM 988 C GLY A 75 10.045 5.787 -3.796 1.00 0.00 C ATOM 989 O GLY A 75 10.852 6.683 -4.068 1.00 0.00 O ATOM 0 H GLY A 75 11.884 4.144 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.692 3.763 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.307 4.342 -2.855 1.00 0.00 H new ATOM 993 N PHE A 76 8.741 6.000 -3.652 1.00 0.00 N ATOM 994 CA PHE A 76 8.153 7.321 -3.816 1.00 0.00 C ATOM 995 C PHE A 76 7.330 7.669 -2.590 1.00 0.00 C ATOM 996 O PHE A 76 6.720 6.791 -1.973 1.00 0.00 O ATOM 997 CB PHE A 76 7.257 7.373 -5.059 1.00 0.00 C ATOM 998 CG PHE A 76 7.992 7.590 -6.357 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.918 6.666 -6.812 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.744 8.718 -7.126 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.585 6.863 -8.006 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.407 8.918 -8.321 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.329 7.989 -8.761 1.00 0.00 C ATOM 0 H PHE A 76 8.069 5.268 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 76 8.961 8.042 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.697 6.440 -5.126 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.528 8.174 -4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.121 5.781 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.024 9.448 -6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.306 6.136 -8.348 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.205 9.800 -8.911 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.849 8.144 -9.695 1.00 0.00 H new ATOM 1013 N LEU A 77 7.323 8.941 -2.232 1.00 0.00 N ATOM 1014 CA LEU A 77 6.565 9.398 -1.080 1.00 0.00 C ATOM 1015 C LEU A 77 5.101 9.570 -1.456 1.00 0.00 C ATOM 1016 O LEU A 77 4.762 9.646 -2.635 1.00 0.00 O ATOM 1017 CB LEU A 77 7.122 10.720 -0.549 1.00 0.00 C ATOM 1018 CG LEU A 77 8.617 10.720 -0.219 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.005 12.011 0.487 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.987 9.513 0.631 1.00 0.00 C ATOM 0 H LEU A 77 7.833 9.676 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 77 6.652 8.647 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.931 11.498 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.569 10.992 0.350 1.00 0.00 H new ATOM 0 HG LEU A 77 9.172 10.656 -1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.071 11.995 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.785 12.860 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.438 12.104 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.054 9.537 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.423 9.538 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.749 8.599 0.088 1.00 0.00 H new ATOM 1032 N PHE A 78 4.242 9.672 -0.451 1.00 0.00 N ATOM 1033 CA PHE A 78 2.809 9.819 -0.678 1.00 0.00 C ATOM 1034 C PHE A 78 2.476 11.183 -1.279 1.00 0.00 C ATOM 1035 O PHE A 78 1.393 11.377 -1.832 1.00 0.00 O ATOM 1036 CB PHE A 78 2.050 9.622 0.634 1.00 0.00 C ATOM 1037 CG PHE A 78 0.719 8.957 0.459 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.641 7.588 0.263 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.450 9.697 0.483 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.581 6.970 0.099 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.674 9.084 0.318 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.740 7.719 0.125 1.00 0.00 C ATOM 0 H PHE A 78 4.513 9.656 0.532 1.00 0.00 H new ATOM 0 HA PHE A 78 2.501 9.056 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.660 9.024 1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.903 10.592 1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.546 6.999 0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.403 10.766 0.632 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.631 5.901 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.580 9.671 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.698 7.237 -0.006 1.00 0.00 H new ATOM 1052 N ASP A 79 3.408 12.123 -1.168 1.00 0.00 N ATOM 1053 CA ASP A 79 3.208 13.464 -1.707 1.00 0.00 C ATOM 1054 C ASP A 79 3.617 13.523 -3.179 1.00 0.00 C ATOM 1055 O ASP A 79 3.177 14.407 -3.915 1.00 0.00 O ATOM 1056 CB ASP A 79 3.990 14.508 -0.896 1.00 0.00 C ATOM 1057 CG ASP A 79 5.367 14.780 -1.463 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.245 13.900 -1.352 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.573 15.869 -2.034 1.00 0.00 O ATOM 0 H ASP A 79 4.309 11.982 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 79 2.146 13.697 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.423 15.439 -0.868 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.088 14.163 0.133 1.00 0.00 H new ATOM 1064 N GLY A 80 4.457 12.580 -3.604 1.00 0.00 N ATOM 1065 CA GLY A 80 4.892 12.549 -4.989 1.00 0.00 C ATOM 1066 C GLY A 80 6.400 12.593 -5.147 1.00 0.00 C ATOM 1067 O GLY A 80 6.927 12.231 -6.198 1.00 0.00 O ATOM 0 H GLY A 80 4.842 11.841 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.511 11.644 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.454 13.395 -5.519 1.00 0.00 H new ATOM 1071 N THR A 81 7.101 13.031 -4.111 1.00 0.00 N ATOM 1072 CA THR A 81 8.556 13.120 -4.159 1.00 0.00 C ATOM 1073 C THR A 81 9.191 11.731 -4.188 1.00 0.00 C ATOM 1074 O THR A 81 8.761 10.830 -3.471 1.00 0.00 O ATOM 1075 CB THR A 81 9.097 13.895 -2.943 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.254 15.018 -2.666 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.518 14.380 -3.187 1.00 0.00 C ATOM 0 H THR A 81 6.688 13.330 -3.228 1.00 0.00 H new ATOM 0 HA THR A 81 8.819 13.652 -5.074 1.00 0.00 H new ATOM 0 HB THR A 81 9.104 13.217 -2.089 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.694 14.822 -1.886 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.872 14.923 -2.311 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.168 13.524 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.533 15.040 -4.054 1.00 0.00 H new ATOM 1085 N ARG A 82 10.208 11.553 -5.018 1.00 0.00 N ATOM 1086 CA ARG A 82 10.884 10.266 -5.104 1.00 0.00 C ATOM 1087 C ARG A 82 12.067 10.228 -4.141 1.00 0.00 C ATOM 1088 O ARG A 82 12.781 11.218 -3.985 1.00 0.00 O ATOM 1089 CB ARG A 82 11.342 9.962 -6.538 1.00 0.00 C ATOM 1090 CG ARG A 82 12.287 10.991 -7.130 1.00 0.00 C ATOM 1091 CD ARG A 82 11.559 11.959 -8.050 1.00 0.00 C ATOM 1092 NE ARG A 82 12.492 12.818 -8.771 1.00 0.00 N ATOM 1093 CZ ARG A 82 12.139 13.914 -9.441 1.00 0.00 C ATOM 1094 NH1 ARG A 82 10.860 14.272 -9.520 1.00 0.00 N ATOM 1095 NH2 ARG A 82 13.066 14.629 -10.073 1.00 0.00 N ATOM 0 H ARG A 82 10.581 12.274 -5.635 1.00 0.00 H new ATOM 0 HA ARG A 82 10.171 9.493 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.832 8.988 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.463 9.885 -7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.770 11.546 -6.326 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.076 10.484 -7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.954 11.399 -8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.875 12.574 -7.465 1.00 0.00 H new ATOM 0 HE ARG A 82 13.479 12.563 -8.761 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.143 13.706 -9.066 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.596 15.112 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.043 14.337 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.800 15.469 -10.587 1.00 0.00 H new ATOM 1109 N TRP A 83 12.253 9.095 -3.477 1.00 0.00 N ATOM 1110 CA TRP A 83 13.346 8.946 -2.525 1.00 0.00 C ATOM 1111 C TRP A 83 14.463 8.093 -3.112 1.00 0.00 C ATOM 1112 O TRP A 83 15.643 8.405 -2.946 1.00 0.00 O ATOM 1113 CB TRP A 83 12.830 8.319 -1.228 1.00 0.00 C ATOM 1114 CG TRP A 83 13.675 8.631 -0.030 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.806 7.981 0.370 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.448 9.667 0.929 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.294 8.549 1.519 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.480 9.587 1.881 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.472 10.656 1.075 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.562 10.454 2.963 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.556 11.521 2.149 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.594 11.414 3.081 1.00 0.00 C ATOM 0 H TRP A 83 11.664 8.269 -3.579 1.00 0.00 H new ATOM 0 HA TRP A 83 13.749 9.935 -2.307 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.814 8.668 -1.045 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.778 7.237 -1.353 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.252 7.142 -0.143 1.00 0.00 H new ATOM 0 HE1 TRP A 83 16.128 8.247 2.022 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.666 10.743 0.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.361 10.373 3.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.809 12.291 2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.632 12.104 3.911 1.00 0.00 H new ATOM 1133 N GLY A 84 14.087 7.030 -3.809 1.00 0.00 N ATOM 1134 CA GLY A 84 15.077 6.157 -4.405 1.00 0.00 C ATOM 1135 C GLY A 84 14.483 4.844 -4.863 1.00 0.00 C ATOM 1136 O GLY A 84 13.459 4.824 -5.550 1.00 0.00 O ATOM 0 H GLY A 84 13.118 6.757 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.538 6.661 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.869 5.962 -3.682 1.00 0.00 H new ATOM 1140 N THR A 85 15.110 3.746 -4.469 1.00 0.00 N ATOM 1141 CA THR A 85 14.648 2.420 -4.847 1.00 0.00 C ATOM 1142 C THR A 85 14.635 1.482 -3.641 1.00 0.00 C ATOM 1143 O THR A 85 15.460 1.612 -2.734 1.00 0.00 O ATOM 1144 CB THR A 85 15.542 1.817 -5.950 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.579 2.749 -6.306 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.721 1.470 -7.183 1.00 0.00 C ATOM 0 H THR A 85 15.945 3.748 -3.884 1.00 0.00 H new ATOM 0 HA THR A 85 13.633 2.526 -5.229 1.00 0.00 H new ATOM 0 HB THR A 85 15.992 0.902 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.144 2.359 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.373 1.046 -7.947 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.954 0.743 -6.917 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.247 2.372 -7.570 1.00 0.00 H new ATOM 1154 N VAL A 86 13.695 0.542 -3.637 1.00 0.00 N ATOM 1155 CA VAL A 86 13.571 -0.415 -2.546 1.00 0.00 C ATOM 1156 C VAL A 86 13.574 -1.843 -3.082 1.00 0.00 C ATOM 1157 O VAL A 86 13.243 -2.086 -4.246 1.00 0.00 O ATOM 1158 CB VAL A 86 12.287 -0.194 -1.711 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.586 -0.371 -0.232 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.673 1.175 -1.974 1.00 0.00 C ATOM 0 H VAL A 86 13.007 0.424 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 86 14.432 -0.257 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 86 11.557 -0.943 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.675 -0.213 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.958 -1.380 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.340 0.353 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.774 1.293 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.391 1.952 -1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.415 1.261 -3.029 1.00 0.00 H new ATOM 1170 N ASP A 87 13.949 -2.786 -2.237 1.00 0.00 N ATOM 1171 CA ASP A 87 14.001 -4.185 -2.632 1.00 0.00 C ATOM 1172 C ASP A 87 13.533 -5.091 -1.497 1.00 0.00 C ATOM 1173 O ASP A 87 13.990 -4.963 -0.361 1.00 0.00 O ATOM 1174 CB ASP A 87 15.430 -4.546 -3.041 1.00 0.00 C ATOM 1175 CG ASP A 87 15.625 -6.030 -3.262 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.356 -6.504 -4.382 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.056 -6.726 -2.321 1.00 0.00 O ATOM 0 H ASP A 87 14.223 -2.610 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 87 13.331 -4.334 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.686 -4.011 -3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.120 -4.206 -2.269 1.00 0.00 H new ATOM 1182 N CYS A 88 12.632 -6.008 -1.811 1.00 0.00 N ATOM 1183 CA CYS A 88 12.098 -6.932 -0.819 1.00 0.00 C ATOM 1184 C CYS A 88 12.645 -8.343 -1.029 1.00 0.00 C ATOM 1185 O CYS A 88 12.067 -9.317 -0.553 1.00 0.00 O ATOM 1186 CB CYS A 88 10.567 -6.954 -0.873 1.00 0.00 C ATOM 1187 SG CYS A 88 9.764 -5.436 -0.252 1.00 0.00 S ATOM 0 H CYS A 88 12.253 -6.134 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 88 12.414 -6.582 0.164 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.255 -7.119 -1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.208 -7.803 -0.292 1.00 0.00 H new ATOM 1192 N THR A 89 13.766 -8.458 -1.734 1.00 0.00 N ATOM 1193 CA THR A 89 14.370 -9.763 -1.975 1.00 0.00 C ATOM 1194 C THR A 89 14.978 -10.294 -0.679 1.00 0.00 C ATOM 1195 O THR A 89 14.933 -11.491 -0.393 1.00 0.00 O ATOM 1196 CB THR A 89 15.460 -9.702 -3.069 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.934 -9.095 -4.259 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.979 -11.096 -3.399 1.00 0.00 C ATOM 0 H THR A 89 14.270 -7.672 -2.145 1.00 0.00 H new ATOM 0 HA THR A 89 13.584 -10.432 -2.324 1.00 0.00 H new ATOM 0 HB THR A 89 16.286 -9.101 -2.688 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.388 -8.241 -4.419 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.745 -11.026 -4.171 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.407 -11.546 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.157 -11.715 -3.759 1.00 0.00 H new ATOM 1206 N THR A 90 15.522 -9.380 0.111 1.00 0.00 N ATOM 1207 CA THR A 90 16.136 -9.721 1.380 1.00 0.00 C ATOM 1208 C THR A 90 15.527 -8.864 2.493 1.00 0.00 C ATOM 1209 O THR A 90 16.132 -8.654 3.551 1.00 0.00 O ATOM 1210 CB THR A 90 17.670 -9.524 1.307 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.305 -10.005 2.499 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.026 -8.060 1.092 1.00 0.00 C ATOM 0 H THR A 90 15.549 -8.385 -0.111 1.00 0.00 H new ATOM 0 HA THR A 90 15.943 -10.771 1.602 1.00 0.00 H new ATOM 0 HB THR A 90 18.032 -10.100 0.456 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.839 -9.649 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.110 -7.952 1.045 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.586 -7.712 0.158 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.638 -7.466 1.919 1.00 0.00 H new ATOM 1220 N ALA A 91 14.311 -8.387 2.249 1.00 0.00 N ATOM 1221 CA ALA A 91 13.604 -7.541 3.200 1.00 0.00 C ATOM 1222 C ALA A 91 12.111 -7.859 3.195 1.00 0.00 C ATOM 1223 O ALA A 91 11.636 -8.608 2.344 1.00 0.00 O ATOM 1224 CB ALA A 91 13.835 -6.078 2.861 1.00 0.00 C ATOM 0 H ALA A 91 13.792 -8.575 1.392 1.00 0.00 H new ATOM 0 HA ALA A 91 13.991 -7.738 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.303 -5.450 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.902 -5.858 2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.466 -5.875 1.856 1.00 0.00 H new ATOM 1230 N ALA A 92 11.375 -7.284 4.137 1.00 0.00 N ATOM 1231 CA ALA A 92 9.942 -7.520 4.234 1.00 0.00 C ATOM 1232 C ALA A 92 9.157 -6.382 3.600 1.00 0.00 C ATOM 1233 O ALA A 92 9.333 -5.215 3.957 1.00 0.00 O ATOM 1234 CB ALA A 92 9.533 -7.699 5.688 1.00 0.00 C ATOM 0 H ALA A 92 11.747 -6.651 4.845 1.00 0.00 H new ATOM 0 HA ALA A 92 9.712 -8.435 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.459 -7.875 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.063 -8.551 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.784 -6.799 6.250 1.00 0.00 H new ATOM 1240 N CYS A 93 8.292 -6.730 2.661 1.00 0.00 N ATOM 1241 CA CYS A 93 7.472 -5.744 1.971 1.00 0.00 C ATOM 1242 C CYS A 93 6.297 -5.328 2.850 1.00 0.00 C ATOM 1243 O CYS A 93 5.801 -6.117 3.652 1.00 0.00 O ATOM 1244 CB CYS A 93 6.965 -6.301 0.638 1.00 0.00 C ATOM 1245 SG CYS A 93 7.824 -5.635 -0.830 1.00 0.00 S ATOM 0 H CYS A 93 8.138 -7.692 2.357 1.00 0.00 H new ATOM 0 HA CYS A 93 8.087 -4.867 1.766 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.072 -7.386 0.646 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.900 -6.087 0.550 1.00 0.00 H new ATOM 1250 N GLN A 94 5.856 -4.091 2.696 1.00 0.00 N ATOM 1251 CA GLN A 94 4.756 -3.564 3.487 1.00 0.00 C ATOM 1252 C GLN A 94 3.595 -3.160 2.589 1.00 0.00 C ATOM 1253 O GLN A 94 3.791 -2.797 1.428 1.00 0.00 O ATOM 1254 CB GLN A 94 5.228 -2.345 4.289 1.00 0.00 C ATOM 1255 CG GLN A 94 6.678 -2.438 4.742 1.00 0.00 C ATOM 1256 CD GLN A 94 6.830 -3.144 6.070 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.014 -2.974 6.972 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.871 -3.952 6.192 1.00 0.00 N ATOM 0 H GLN A 94 6.246 -3.429 2.026 1.00 0.00 H new ATOM 0 HA GLN A 94 4.419 -4.344 4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.103 -1.449 3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.589 -2.227 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.258 -2.967 3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.095 -1.434 4.819 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.524 -4.063 5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.020 -4.464 7.062 1.00 0.00 H new ATOM 1267 N VAL A 95 2.389 -3.233 3.125 1.00 0.00 N ATOM 1268 CA VAL A 95 1.202 -2.850 2.377 1.00 0.00 C ATOM 1269 C VAL A 95 0.831 -1.410 2.718 1.00 0.00 C ATOM 1270 O VAL A 95 0.392 -1.120 3.832 1.00 0.00 O ATOM 1271 CB VAL A 95 0.002 -3.778 2.668 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.191 -3.423 1.783 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.397 -5.237 2.481 1.00 0.00 C ATOM 0 H VAL A 95 2.205 -3.554 4.076 1.00 0.00 H new ATOM 0 HA VAL A 95 1.436 -2.941 1.316 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.295 -3.633 3.707 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.022 -4.091 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.492 -2.393 1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.912 -3.531 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.461 -5.876 2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.726 -5.396 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.209 -5.485 3.165 1.00 0.00 H new ATOM 1283 N GLY A 96 1.032 -0.514 1.763 1.00 0.00 N ATOM 1284 CA GLY A 96 0.737 0.887 1.983 1.00 0.00 C ATOM 1285 C GLY A 96 -0.718 1.230 1.761 1.00 0.00 C ATOM 1286 O GLY A 96 -1.101 1.663 0.679 1.00 0.00 O ATOM 0 H GLY A 96 1.396 -0.733 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.015 1.155 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.352 1.491 1.315 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.527 1.040 2.789 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.950 1.342 2.717 1.00 0.00 C ATOM 1292 C LEU A 97 -3.240 2.666 3.414 1.00 0.00 C ATOM 1293 O LEU A 97 -3.418 2.712 4.630 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.778 0.213 3.351 1.00 0.00 C ATOM 1295 CG LEU A 97 -2.996 -0.782 4.224 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -2.644 -0.168 5.570 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.800 -2.054 4.417 1.00 0.00 C ATOM 0 H LEU A 97 -1.221 0.675 3.691 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.233 1.426 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.563 0.662 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.271 -0.342 2.553 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.066 -1.027 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.091 -0.893 6.167 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.029 0.719 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.559 0.111 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.236 -2.751 5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.745 -1.817 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.998 -2.510 3.447 1.00 0.00 H new ATOM 1309 N SER A 98 -3.273 3.746 2.648 1.00 0.00 N ATOM 1310 CA SER A 98 -3.522 5.060 3.220 1.00 0.00 C ATOM 1311 C SER A 98 -4.624 5.804 2.468 1.00 0.00 C ATOM 1312 O SER A 98 -4.995 5.435 1.351 1.00 0.00 O ATOM 1313 CB SER A 98 -2.235 5.889 3.209 1.00 0.00 C ATOM 1314 OG SER A 98 -1.120 5.114 3.617 1.00 0.00 O ATOM 0 H SER A 98 -3.132 3.739 1.638 1.00 0.00 H new ATOM 0 HA SER A 98 -3.856 4.916 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.061 6.281 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.347 6.747 3.872 1.00 0.00 H new ATOM 0 HG SER A 98 -0.312 5.668 3.599 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.160 6.834 3.104 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.204 7.654 2.507 1.00 0.00 C ATOM 1322 C ASP A 99 -5.576 8.798 1.718 1.00 0.00 C ATOM 1323 O ASP A 99 -4.363 8.837 1.551 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.132 8.206 3.591 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.620 9.496 4.206 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.586 9.468 4.909 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.241 10.551 3.976 1.00 0.00 O ATOM 0 H ASP A 99 -4.886 7.124 4.043 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.793 7.037 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.119 8.380 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.252 7.458 4.375 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.403 9.732 1.255 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.932 10.876 0.477 1.00 0.00 C ATOM 1334 C ALA A 100 -4.937 11.730 1.267 1.00 0.00 C ATOM 1335 O ALA A 100 -4.022 12.326 0.695 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.115 11.724 0.037 1.00 0.00 C ATOM 0 H ALA A 100 -7.412 9.718 1.407 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.412 10.491 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.757 12.575 -0.542 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.785 11.123 -0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.652 12.083 0.915 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.131 11.799 2.576 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.250 12.575 3.437 1.00 0.00 C ATOM 1344 C ALA A 101 -2.971 11.799 3.737 1.00 0.00 C ATOM 1345 O ALA A 101 -1.867 12.318 3.576 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.962 12.949 4.731 1.00 0.00 C ATOM 0 H ALA A 101 -5.891 11.327 3.066 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.980 13.492 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.289 13.529 5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.846 13.544 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.262 12.042 5.257 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.128 10.554 4.166 1.00 0.00 N ATOM 1353 CA GLY A 102 -1.979 9.729 4.478 1.00 0.00 C ATOM 1354 C GLY A 102 -2.124 9.012 5.803 1.00 0.00 C ATOM 1355 O GLY A 102 -1.137 8.779 6.503 1.00 0.00 O ATOM 0 H GLY A 102 -4.031 10.101 4.303 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.836 8.995 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.084 10.351 4.501 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.354 8.677 6.163 1.00 0.00 N ATOM 1360 CA ASN A 103 -3.622 7.972 7.407 1.00 0.00 C ATOM 1361 C ASN A 103 -4.571 6.810 7.146 1.00 0.00 C ATOM 1362 O ASN A 103 -4.847 6.474 5.991 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.225 8.914 8.458 1.00 0.00 C ATOM 1364 CG ASN A 103 -3.385 10.155 8.706 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -2.394 10.117 9.436 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.786 11.270 8.112 1.00 0.00 N ATOM 0 H ASN A 103 -4.185 8.883 5.609 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.677 7.591 7.795 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.221 9.217 8.135 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -4.345 8.372 9.396 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.268 12.137 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.612 11.261 7.514 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.068 6.198 8.211 1.00 0.00 N ATOM 1374 CA GLY A 104 -5.980 5.087 8.058 1.00 0.00 C ATOM 1375 C GLY A 104 -5.578 3.889 8.895 1.00 0.00 C ATOM 1376 O GLY A 104 -5.216 4.045 10.063 1.00 0.00 O ATOM 0 H GLY A 104 -4.856 6.451 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.984 5.403 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.021 4.796 7.008 1.00 0.00 H new ATOM 1380 N PRO A 105 -5.634 2.673 8.326 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.260 1.444 9.034 1.00 0.00 C ATOM 1382 C PRO A 105 -3.750 1.345 9.239 1.00 0.00 C ATOM 1383 O PRO A 105 -2.979 2.006 8.541 1.00 0.00 O ATOM 1384 CB PRO A 105 -5.743 0.315 8.108 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.567 0.979 7.052 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.068 2.391 6.952 1.00 0.00 C ATOM 0 HA PRO A 105 -5.700 1.403 10.030 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.900 -0.218 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.331 -0.418 8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.465 0.462 6.098 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.625 0.958 7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.247 2.482 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.851 3.076 6.625 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.335 0.526 10.195 1.00 0.00 N ATOM 1395 CA GLU A 106 -1.921 0.332 10.485 1.00 0.00 C ATOM 1396 C GLU A 106 -1.263 -0.487 9.376 1.00 0.00 C ATOM 1397 O GLU A 106 -1.854 -1.445 8.871 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.764 -0.368 11.837 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.335 -0.411 12.354 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.204 -1.202 13.640 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.022 -2.435 13.567 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.286 -0.596 14.733 1.00 0.00 O ATOM 0 H GLU A 106 -3.962 -0.018 10.787 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.427 1.303 10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.389 0.140 12.571 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.138 -1.388 11.751 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.309 -0.852 11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.018 0.607 12.520 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.053 -0.092 8.992 1.00 0.00 N ATOM 1410 CA GLY A 107 0.670 -0.789 7.945 1.00 0.00 C ATOM 1411 C GLY A 107 0.954 -2.230 8.309 1.00 0.00 C ATOM 1412 O GLY A 107 1.220 -2.542 9.470 1.00 0.00 O ATOM 0 H GLY A 107 0.442 0.705 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.091 -0.756 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.610 -0.273 7.750 1.00 0.00 H new ATOM 1416 N VAL A 108 0.892 -3.107 7.320 1.00 0.00 N ATOM 1417 CA VAL A 108 1.133 -4.526 7.537 1.00 0.00 C ATOM 1418 C VAL A 108 2.345 -4.994 6.736 1.00 0.00 C ATOM 1419 O VAL A 108 2.509 -4.622 5.573 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.099 -5.371 7.132 1.00 0.00 C ATOM 1421 CG1 VAL A 108 0.115 -6.846 7.449 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.354 -4.854 7.823 1.00 0.00 C ATOM 0 H VAL A 108 0.676 -2.860 6.354 1.00 0.00 H new ATOM 0 HA VAL A 108 1.323 -4.665 8.601 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.230 -5.275 6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.767 -7.413 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.983 -7.214 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.283 -6.968 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.209 -5.461 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.225 -4.914 8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.527 -3.817 7.535 1.00 0.00 H new ATOM 1432 N ALA A 109 3.188 -5.804 7.360 1.00 0.00 N ATOM 1433 CA ALA A 109 4.378 -6.328 6.709 1.00 0.00 C ATOM 1434 C ALA A 109 4.163 -7.774 6.284 1.00 0.00 C ATOM 1435 O ALA A 109 3.579 -8.564 7.030 1.00 0.00 O ATOM 1436 CB ALA A 109 5.570 -6.231 7.646 1.00 0.00 C ATOM 0 H ALA A 109 3.067 -6.114 8.324 1.00 0.00 H new ATOM 0 HA ALA A 109 4.576 -5.732 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.456 -6.626 7.149 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.738 -5.188 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.372 -6.810 8.548 1.00 0.00 H new ATOM 1442 N ILE A 110 4.636 -8.115 5.093 1.00 0.00 N ATOM 1443 CA ILE A 110 4.501 -9.467 4.565 1.00 0.00 C ATOM 1444 C ILE A 110 5.834 -9.964 4.007 1.00 0.00 C ATOM 1445 O ILE A 110 6.581 -9.206 3.383 1.00 0.00 O ATOM 1446 CB ILE A 110 3.424 -9.553 3.454 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.514 -8.352 2.508 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.035 -9.644 4.070 1.00 0.00 C ATOM 1449 CD1 ILE A 110 2.862 -8.591 1.161 1.00 0.00 C ATOM 0 H ILE A 110 5.120 -7.469 4.470 1.00 0.00 H new ATOM 0 HA ILE A 110 4.189 -10.099 5.397 1.00 0.00 H new ATOM 0 HB ILE A 110 3.608 -10.455 2.871 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.044 -7.490 2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.563 -8.098 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.289 -9.704 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.972 -10.534 4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.848 -8.759 4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.964 -7.698 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.347 -9.432 0.666 1.00 0.00 H new ATOM 0 HD13 ILE A 110 1.805 -8.815 1.303 1.00 0.00 H new ATOM 1461 N SER A 111 6.140 -11.230 4.252 1.00 0.00 N ATOM 1462 CA SER A 111 7.379 -11.818 3.762 1.00 0.00 C ATOM 1463 C SER A 111 7.091 -12.952 2.785 1.00 0.00 C ATOM 1464 O SER A 111 6.020 -13.567 2.827 1.00 0.00 O ATOM 1465 CB SER A 111 8.222 -12.333 4.930 1.00 0.00 C ATOM 1466 OG SER A 111 8.488 -11.293 5.851 1.00 0.00 O ATOM 0 H SER A 111 5.550 -11.868 4.785 1.00 0.00 H new ATOM 0 HA SER A 111 7.938 -11.044 3.237 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.698 -13.146 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.160 -12.742 4.555 1.00 0.00 H new ATOM 0 HG SER A 111 9.027 -11.642 6.592 1.00 0.00 H new ATOM 1472 N PHE A 112 8.050 -13.217 1.907 1.00 0.00 N ATOM 1473 CA PHE A 112 7.917 -14.274 0.913 1.00 0.00 C ATOM 1474 C PHE A 112 8.383 -15.607 1.493 1.00 0.00 C ATOM 1475 O PHE A 112 8.655 -15.712 2.691 1.00 0.00 O ATOM 1476 CB PHE A 112 8.729 -13.933 -0.341 1.00 0.00 C ATOM 1477 CG PHE A 112 8.436 -12.570 -0.909 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.192 -12.275 -1.450 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.410 -11.586 -0.907 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.931 -11.024 -1.977 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.153 -10.336 -1.431 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.914 -10.053 -1.967 1.00 0.00 C ATOM 0 H PHE A 112 8.934 -12.710 1.863 1.00 0.00 H new ATOM 0 HA PHE A 112 6.866 -14.359 0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.791 -13.995 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.530 -14.684 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.420 -13.031 -1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.383 -11.800 -0.490 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.960 -10.806 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.923 -9.578 -1.422 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.713 -9.075 -2.378 1.00 0.00 H new ATOM 1492 N ASN A 113 8.479 -16.624 0.652 1.00 0.00 N ATOM 1493 CA ASN A 113 8.913 -17.943 1.097 1.00 0.00 C ATOM 1494 C ASN A 113 10.318 -18.239 0.588 1.00 0.00 C ATOM 1495 O ASN A 113 11.088 -18.909 1.303 1.00 0.00 O ATOM 1496 CB ASN A 113 7.936 -19.032 0.631 1.00 0.00 C ATOM 1497 CG ASN A 113 7.913 -19.204 -0.877 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.681 -19.986 -1.436 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.018 -18.490 -1.541 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.656 -17.781 -0.523 1.00 0.00 O ATOM 0 H ASN A 113 8.263 -16.564 -0.343 1.00 0.00 H new ATOM 0 HA ASN A 113 8.926 -17.944 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.209 -19.980 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.933 -18.785 0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.946 -18.577 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.400 -17.853 -1.039 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.468 5.740 4.314 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.033 6.965 3.991 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.281 7.342 2.661 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.930 6.391 1.571 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.345 5.117 1.986 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.137 4.840 3.302 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.553 3.623 3.974 1.00 20.00 C HETATM 1515 C2' FLN A 114 2.295 3.686 4.579 1.00 20.00 C HETATM 1516 C3' FLN A 114 1.764 2.553 5.199 1.00 20.00 C HETATM 1517 C4' FLN A 114 2.443 1.325 5.247 1.00 20.00 C HETATM 1518 C5' FLN A 114 3.699 1.307 4.629 1.00 20.00 C HETATM 1519 C6' FLN A 114 4.251 2.419 4.001 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.134 6.673 0.384 1.00 20.00 O HETATM 1521 C5 FLN A 114 5.858 8.609 2.400 1.00 20.00 C HETATM 1522 C6 FLN A 114 6.172 9.465 3.470 1.00 20.00 C HETATM 1523 C7 FLN A 114 5.906 9.052 4.794 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.336 7.807 5.057 1.00 20.00 C HETATM 0 H8 FLN A 114 5.131 7.498 6.082 1.00 20.00 H new HETATM 0 H7 FLN A 114 6.150 9.717 5.623 1.00 20.00 H new HETATM 0 H6' FLN A 114 5.231 2.347 3.530 1.00 20.00 H new HETATM 0 H6 FLN A 114 6.618 10.441 3.279 1.00 20.00 H new HETATM 0 H5' FLN A 114 4.271 0.379 4.640 1.00 20.00 H new HETATM 0 H5 FLN A 114 6.058 8.919 1.374 1.00 20.00 H new HETATM 0 H4' FLN A 114 2.021 0.445 5.733 1.00 20.00 H new HETATM 0 H3' FLN A 114 0.781 2.625 5.665 1.00 20.00 H new HETATM 0 H3 FLN A 114 4.072 4.379 1.231 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.729 4.618 4.567 1.00 20.00 H new