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= -0.134 K(o=-0.37,f=-5.6!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.231 K(o=-0.37,f=-7.9!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.233 USER MOD Set 2.2: A 113 ASN : amide:sc= 1.07 K(o=1.3,f=0.17) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.128 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 38:sc= 0.508 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -120:sc= -1.22 USER MOD Single : A 11 SER OG : rot 180:sc= 0.121 USER MOD Single : A 17 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.054 K(o=-0.054,f=-0.81) USER MOD Single : A 30 THR OG1 : rot -78:sc= 1.2 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -1:sc= 0.405 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0856 USER MOD Single : A 56 THR OG1 : rot 16:sc= 1.29 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 SER OG : rot 39:sc= 0.25 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 140:sc=-0.00696 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 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 133:sc= 1.22 USER MOD Single : A 85 THR OG1 : rot -57:sc= 1.28 USER MOD Single : A 89 THR OG1 : rot 120:sc= 0.609 USER MOD Single : A 90 THR OG1 : rot -33:sc= 0.423 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -160:sc= -0.242 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc=-0.00904 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.131 5.555 16.046 1.00 0.00 N ATOM 2 CA ALA A 1 -15.877 4.290 15.864 1.00 0.00 C ATOM 3 C ALA A 1 -14.905 3.138 15.651 1.00 0.00 C ATOM 4 O ALA A 1 -13.691 3.314 15.772 1.00 0.00 O ATOM 5 CB ALA A 1 -16.847 4.404 14.694 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.191 5.853 17.040 1.00 0.00 H new ATOM 0 H2 ALA A 1 -14.134 5.410 15.788 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.543 6.291 15.438 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.458 4.092 16.765 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.386 3.464 14.576 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.557 5.208 14.887 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.292 4.621 13.781 1.00 0.00 H new ATOM 11 N ALA A 2 -15.437 1.961 15.352 1.00 0.00 N ATOM 12 CA ALA A 2 -14.610 0.784 15.119 1.00 0.00 C ATOM 13 C ALA A 2 -14.612 0.400 13.643 1.00 0.00 C ATOM 14 O ALA A 2 -15.569 -0.210 13.159 1.00 0.00 O ATOM 15 CB ALA A 2 -15.097 -0.385 15.964 1.00 0.00 C ATOM 0 H ALA A 2 -16.440 1.795 15.265 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.588 1.028 15.410 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.468 -1.256 15.778 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.044 -0.118 17.019 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.128 -0.619 15.701 1.00 0.00 H new ATOM 21 N PRO A 3 -13.548 0.765 12.905 1.00 0.00 N ATOM 22 CA PRO A 3 -13.419 0.440 11.481 1.00 0.00 C ATOM 23 C PRO A 3 -13.201 -1.056 11.274 1.00 0.00 C ATOM 24 O PRO A 3 -12.867 -1.778 12.217 1.00 0.00 O ATOM 25 CB PRO A 3 -12.184 1.236 11.027 1.00 0.00 C ATOM 26 CG PRO A 3 -11.891 2.189 12.140 1.00 0.00 C ATOM 27 CD PRO A 3 -12.386 1.523 13.388 1.00 0.00 C ATOM 0 HA PRO A 3 -14.316 0.692 10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.337 0.575 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.381 1.768 10.096 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.823 2.398 12.205 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.393 3.143 11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.631 0.871 13.827 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.664 2.249 14.152 1.00 0.00 H new ATOM 35 N THR A 4 -13.381 -1.521 10.048 1.00 0.00 N ATOM 36 CA THR A 4 -13.217 -2.933 9.750 1.00 0.00 C ATOM 37 C THR A 4 -12.132 -3.168 8.703 1.00 0.00 C ATOM 38 O THR A 4 -12.271 -2.765 7.547 1.00 0.00 O ATOM 39 CB THR A 4 -14.538 -3.545 9.250 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.638 -2.992 9.988 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.527 -5.058 9.406 1.00 0.00 C ATOM 0 H THR A 4 -13.639 -0.944 9.248 1.00 0.00 H new ATOM 0 HA THR A 4 -12.917 -3.418 10.679 1.00 0.00 H new ATOM 0 HB THR A 4 -14.649 -3.307 8.192 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.477 -3.382 9.666 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.471 -5.468 9.046 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.705 -5.478 8.826 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.398 -5.314 10.457 1.00 0.00 H new ATOM 49 N ALA A 5 -11.051 -3.810 9.121 1.00 0.00 N ATOM 50 CA ALA A 5 -9.952 -4.130 8.228 1.00 0.00 C ATOM 51 C ALA A 5 -10.157 -5.527 7.654 1.00 0.00 C ATOM 52 O ALA A 5 -10.432 -6.473 8.391 1.00 0.00 O ATOM 53 CB ALA A 5 -8.626 -4.046 8.970 1.00 0.00 C ATOM 0 H ALA A 5 -10.913 -4.121 10.083 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.929 -3.409 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.811 -4.288 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.488 -3.036 9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.628 -4.754 9.799 1.00 0.00 H new ATOM 59 N THR A 6 -10.043 -5.650 6.344 1.00 0.00 N ATOM 60 CA THR A 6 -10.230 -6.932 5.687 1.00 0.00 C ATOM 61 C THR A 6 -9.206 -7.126 4.579 1.00 0.00 C ATOM 62 O THR A 6 -9.554 -7.251 3.404 1.00 0.00 O ATOM 63 CB THR A 6 -11.651 -7.045 5.105 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.207 -5.735 4.925 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.549 -7.857 6.019 1.00 0.00 C ATOM 0 H THR A 6 -9.822 -4.879 5.714 1.00 0.00 H new ATOM 0 HA THR A 6 -10.092 -7.712 6.436 1.00 0.00 H new ATOM 0 HB THR A 6 -11.587 -7.553 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.508 -5.123 4.614 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.547 -7.922 5.585 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.138 -8.860 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.608 -7.374 6.994 1.00 0.00 H new ATOM 73 N VAL A 7 -7.940 -7.137 4.951 1.00 0.00 N ATOM 74 CA VAL A 7 -6.874 -7.305 3.982 1.00 0.00 C ATOM 75 C VAL A 7 -6.316 -8.723 4.040 1.00 0.00 C ATOM 76 O VAL A 7 -6.362 -9.373 5.084 1.00 0.00 O ATOM 77 CB VAL A 7 -5.740 -6.278 4.203 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.290 -4.861 4.140 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.033 -6.515 5.528 1.00 0.00 C ATOM 0 H VAL A 7 -7.625 -7.032 5.915 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.298 -7.131 2.993 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.008 -6.407 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.480 -4.149 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.740 -4.688 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.045 -4.729 4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.241 -5.777 5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.749 -6.422 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.601 -7.516 5.536 1.00 0.00 H new ATOM 89 N THR A 8 -5.813 -9.200 2.916 1.00 0.00 N ATOM 90 CA THR A 8 -5.245 -10.535 2.833 1.00 0.00 C ATOM 91 C THR A 8 -3.734 -10.460 2.619 1.00 0.00 C ATOM 92 O THR A 8 -3.272 -10.020 1.568 1.00 0.00 O ATOM 93 CB THR A 8 -5.886 -11.335 1.683 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.310 -11.169 1.704 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.550 -12.813 1.798 1.00 0.00 C ATOM 0 H THR A 8 -5.786 -8.678 2.040 1.00 0.00 H new ATOM 0 HA THR A 8 -5.452 -11.044 3.774 1.00 0.00 H new ATOM 0 HB THR A 8 -5.486 -10.956 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.710 -11.679 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.014 -13.357 0.975 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.469 -12.945 1.756 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.926 -13.199 2.745 1.00 0.00 H new ATOM 103 N PRO A 9 -2.944 -10.872 3.622 1.00 0.00 N ATOM 104 CA PRO A 9 -1.489 -10.841 3.534 1.00 0.00 C ATOM 105 C PRO A 9 -0.917 -12.046 2.786 1.00 0.00 C ATOM 106 O PRO A 9 -1.423 -13.163 2.894 1.00 0.00 O ATOM 107 CB PRO A 9 -1.055 -10.853 5.000 1.00 0.00 C ATOM 108 CG PRO A 9 -2.143 -11.573 5.726 1.00 0.00 C ATOM 109 CD PRO A 9 -3.408 -11.398 4.918 1.00 0.00 C ATOM 0 HA PRO A 9 -1.130 -9.978 2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.098 -11.360 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.931 -9.840 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.899 -12.630 5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.269 -11.169 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.936 -12.344 4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.097 -10.707 5.403 1.00 0.00 H new ATOM 117 N SER A 10 0.140 -11.806 2.024 1.00 0.00 N ATOM 118 CA SER A 10 0.794 -12.853 1.254 1.00 0.00 C ATOM 119 C SER A 10 1.962 -13.451 2.043 1.00 0.00 C ATOM 120 O SER A 10 3.073 -13.581 1.528 1.00 0.00 O ATOM 121 CB SER A 10 1.291 -12.271 -0.071 1.00 0.00 C ATOM 122 OG SER A 10 0.385 -11.298 -0.565 1.00 0.00 O ATOM 0 H SER A 10 0.566 -10.885 1.922 1.00 0.00 H new ATOM 0 HA SER A 10 0.077 -13.650 1.053 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.274 -11.821 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.408 -13.070 -0.803 1.00 0.00 H new ATOM 0 HG SER A 10 0.055 -11.575 -1.445 1.00 0.00 H new ATOM 128 N SER A 11 1.704 -13.813 3.294 1.00 0.00 N ATOM 129 CA SER A 11 2.725 -14.385 4.160 1.00 0.00 C ATOM 130 C SER A 11 3.125 -15.781 3.685 1.00 0.00 C ATOM 131 O SER A 11 2.382 -16.748 3.868 1.00 0.00 O ATOM 132 CB SER A 11 2.199 -14.453 5.592 1.00 0.00 C ATOM 133 OG SER A 11 1.046 -13.634 5.747 1.00 0.00 O ATOM 0 H SER A 11 0.788 -13.719 3.733 1.00 0.00 H new ATOM 0 HA SER A 11 3.609 -13.748 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.954 -15.484 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.976 -14.130 6.285 1.00 0.00 H new ATOM 0 HG SER A 11 0.724 -13.693 6.671 1.00 0.00 H new ATOM 139 N GLY A 12 4.286 -15.878 3.053 1.00 0.00 N ATOM 140 CA GLY A 12 4.757 -17.158 2.566 1.00 0.00 C ATOM 141 C GLY A 12 4.585 -17.313 1.071 1.00 0.00 C ATOM 142 O GLY A 12 4.846 -18.379 0.518 1.00 0.00 O ATOM 0 H GLY A 12 4.910 -15.093 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.811 -17.274 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.217 -17.957 3.074 1.00 0.00 H new ATOM 146 N LEU A 13 4.164 -16.249 0.409 1.00 0.00 N ATOM 147 CA LEU A 13 3.964 -16.286 -1.031 1.00 0.00 C ATOM 148 C LEU A 13 5.079 -15.520 -1.727 1.00 0.00 C ATOM 149 O LEU A 13 5.621 -14.571 -1.172 1.00 0.00 O ATOM 150 CB LEU A 13 2.596 -15.705 -1.394 1.00 0.00 C ATOM 151 CG LEU A 13 1.405 -16.400 -0.722 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.103 -15.687 -1.045 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.331 -17.857 -1.151 1.00 0.00 C ATOM 0 H LEU A 13 3.954 -15.350 0.844 1.00 0.00 H new ATOM 0 HA LEU A 13 3.991 -17.322 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.582 -14.649 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.468 -15.760 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 13 1.555 -16.359 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.724 -16.201 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.153 -14.658 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.055 -15.689 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.481 -18.336 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.210 -17.912 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.249 -18.368 -0.862 1.00 0.00 H new ATOM 165 N SER A 14 5.430 -15.946 -2.932 1.00 0.00 N ATOM 166 CA SER A 14 6.496 -15.310 -3.697 1.00 0.00 C ATOM 167 C SER A 14 6.024 -14.017 -4.369 1.00 0.00 C ATOM 168 O SER A 14 4.859 -13.634 -4.259 1.00 0.00 O ATOM 169 CB SER A 14 7.026 -16.289 -4.744 1.00 0.00 C ATOM 170 OG SER A 14 7.261 -17.564 -4.168 1.00 0.00 O ATOM 0 H SER A 14 4.989 -16.735 -3.405 1.00 0.00 H new ATOM 0 HA SER A 14 7.295 -15.042 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.309 -16.380 -5.559 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.950 -15.903 -5.174 1.00 0.00 H new ATOM 0 HG SER A 14 7.598 -18.176 -4.855 1.00 0.00 H new ATOM 176 N ASP A 15 6.938 -13.347 -5.070 1.00 0.00 N ATOM 177 CA ASP A 15 6.611 -12.102 -5.756 1.00 0.00 C ATOM 178 C ASP A 15 5.670 -12.372 -6.925 1.00 0.00 C ATOM 179 O ASP A 15 5.600 -13.492 -7.429 1.00 0.00 O ATOM 180 CB ASP A 15 7.879 -11.398 -6.251 1.00 0.00 C ATOM 181 CG ASP A 15 8.342 -11.888 -7.613 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.002 -12.949 -7.671 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.059 -11.211 -8.625 1.00 0.00 O ATOM 0 H ASP A 15 7.907 -13.646 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 15 6.111 -11.445 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.695 -10.325 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.678 -11.551 -5.526 1.00 0.00 H new ATOM 188 N GLY A 16 4.948 -11.344 -7.347 1.00 0.00 N ATOM 189 CA GLY A 16 4.011 -11.494 -8.443 1.00 0.00 C ATOM 190 C GLY A 16 2.628 -11.849 -7.947 1.00 0.00 C ATOM 191 O GLY A 16 1.660 -11.834 -8.708 1.00 0.00 O ATOM 0 H GLY A 16 4.994 -10.406 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.967 -10.567 -9.014 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.365 -12.270 -9.122 1.00 0.00 H new ATOM 195 N THR A 17 2.547 -12.167 -6.665 1.00 0.00 N ATOM 196 CA THR A 17 1.293 -12.529 -6.033 1.00 0.00 C ATOM 197 C THR A 17 0.413 -11.300 -5.841 1.00 0.00 C ATOM 198 O THR A 17 0.905 -10.208 -5.546 1.00 0.00 O ATOM 199 CB THR A 17 1.545 -13.214 -4.674 1.00 0.00 C ATOM 200 OG1 THR A 17 2.400 -14.352 -4.861 1.00 0.00 O ATOM 201 CG2 THR A 17 0.240 -13.657 -4.030 1.00 0.00 C ATOM 0 H THR A 17 3.349 -12.181 -6.035 1.00 0.00 H new ATOM 0 HA THR A 17 0.776 -13.231 -6.688 1.00 0.00 H new ATOM 0 HB THR A 17 2.025 -12.493 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.330 -14.053 -4.944 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.450 -14.136 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.399 -12.789 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.268 -14.364 -4.686 1.00 0.00 H new ATOM 209 N VAL A 18 -0.884 -11.481 -6.028 1.00 0.00 N ATOM 210 CA VAL A 18 -1.843 -10.401 -5.880 1.00 0.00 C ATOM 211 C VAL A 18 -2.283 -10.258 -4.424 1.00 0.00 C ATOM 212 O VAL A 18 -2.830 -11.196 -3.834 1.00 0.00 O ATOM 213 CB VAL A 18 -3.079 -10.638 -6.775 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.140 -9.585 -6.527 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.675 -10.653 -8.239 1.00 0.00 C ATOM 0 H VAL A 18 -1.299 -12.376 -6.285 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.352 -9.479 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.503 -11.609 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.999 -9.776 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.453 -9.622 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.733 -8.599 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.556 -10.821 -8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.224 -9.696 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.954 -11.453 -8.409 1.00 0.00 H new ATOM 225 N VAL A 19 -2.021 -9.092 -3.849 1.00 0.00 N ATOM 226 CA VAL A 19 -2.395 -8.811 -2.468 1.00 0.00 C ATOM 227 C VAL A 19 -3.755 -8.117 -2.424 1.00 0.00 C ATOM 228 O VAL A 19 -3.941 -7.070 -3.047 1.00 0.00 O ATOM 229 CB VAL A 19 -1.352 -7.914 -1.761 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.613 -7.868 -0.262 1.00 0.00 C ATOM 231 CG2 VAL A 19 0.062 -8.398 -2.042 1.00 0.00 C ATOM 0 H VAL A 19 -1.548 -8.321 -4.320 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.441 -9.766 -1.945 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.450 -6.904 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.869 -7.232 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.608 -7.464 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.549 -8.875 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.776 -7.750 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.176 -9.419 -1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.249 -8.372 -3.116 1.00 0.00 H new ATOM 241 N LYS A 20 -4.700 -8.700 -1.698 1.00 0.00 N ATOM 242 CA LYS A 20 -6.035 -8.127 -1.592 1.00 0.00 C ATOM 243 C LYS A 20 -6.123 -7.142 -0.432 1.00 0.00 C ATOM 244 O LYS A 20 -5.795 -7.476 0.710 1.00 0.00 O ATOM 245 CB LYS A 20 -7.085 -9.220 -1.410 1.00 0.00 C ATOM 246 CG LYS A 20 -8.508 -8.685 -1.408 1.00 0.00 C ATOM 247 CD LYS A 20 -9.468 -9.632 -0.709 1.00 0.00 C ATOM 248 CE LYS A 20 -9.720 -10.886 -1.530 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.833 -11.697 -0.976 1.00 0.00 N ATOM 0 H LYS A 20 -4.568 -9.566 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.232 -7.594 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.980 -9.953 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.898 -9.742 -0.472 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.530 -7.714 -0.912 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.838 -8.526 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.061 -9.910 0.264 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.413 -9.121 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.951 -10.606 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.812 -11.488 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.973 -12.543 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.602 -11.986 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.706 -11.131 -0.971 1.00 0.00 H new ATOM 263 N VAL A 21 -6.574 -5.933 -0.729 1.00 0.00 N ATOM 264 CA VAL A 21 -6.721 -4.901 0.282 1.00 0.00 C ATOM 265 C VAL A 21 -8.156 -4.390 0.296 1.00 0.00 C ATOM 266 O VAL A 21 -8.568 -3.644 -0.597 1.00 0.00 O ATOM 267 CB VAL A 21 -5.755 -3.719 0.039 1.00 0.00 C ATOM 268 CG1 VAL A 21 -5.898 -2.667 1.132 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.314 -4.207 -0.040 1.00 0.00 C ATOM 0 H VAL A 21 -6.846 -5.643 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.475 -5.346 1.246 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.018 -3.262 -0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.208 -1.846 0.939 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.920 -2.288 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.668 -3.114 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.651 -3.359 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.043 -4.695 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.215 -4.917 -0.861 1.00 0.00 H new ATOM 279 N ALA A 22 -8.920 -4.810 1.295 1.00 0.00 N ATOM 280 CA ALA A 22 -10.308 -4.393 1.420 1.00 0.00 C ATOM 281 C ALA A 22 -10.578 -3.786 2.794 1.00 0.00 C ATOM 282 O ALA A 22 -10.060 -4.259 3.807 1.00 0.00 O ATOM 283 CB ALA A 22 -11.238 -5.572 1.174 1.00 0.00 C ATOM 0 H ALA A 22 -8.601 -5.440 2.031 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.499 -3.628 0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.273 -5.245 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.073 -5.962 0.170 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.035 -6.354 1.905 1.00 0.00 H new ATOM 289 N GLY A 23 -11.392 -2.745 2.828 1.00 0.00 N ATOM 290 CA GLY A 23 -11.708 -2.095 4.085 1.00 0.00 C ATOM 291 C GLY A 23 -13.156 -1.662 4.161 1.00 0.00 C ATOM 292 O GLY A 23 -13.777 -1.382 3.135 1.00 0.00 O ATOM 0 H GLY A 23 -11.841 -2.336 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.491 -2.776 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.064 -1.225 4.213 1.00 0.00 H new ATOM 296 N ALA A 24 -13.698 -1.626 5.369 1.00 0.00 N ATOM 297 CA ALA A 24 -15.076 -1.214 5.583 1.00 0.00 C ATOM 298 C ALA A 24 -15.149 -0.185 6.699 1.00 0.00 C ATOM 299 O ALA A 24 -14.317 -0.193 7.611 1.00 0.00 O ATOM 300 CB ALA A 24 -15.949 -2.414 5.905 1.00 0.00 C ATOM 0 H ALA A 24 -13.199 -1.879 6.222 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.449 -0.759 4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.976 -2.085 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.917 -3.120 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.581 -2.899 6.809 1.00 0.00 H new ATOM 306 N GLY A 25 -16.134 0.700 6.629 1.00 0.00 N ATOM 307 CA GLY A 25 -16.272 1.726 7.643 1.00 0.00 C ATOM 308 C GLY A 25 -15.413 2.932 7.328 1.00 0.00 C ATOM 309 O GLY A 25 -15.067 3.718 8.212 1.00 0.00 O ATOM 0 H GLY A 25 -16.838 0.726 5.891 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.316 2.030 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.990 1.320 8.614 1.00 0.00 H new ATOM 313 N LEU A 26 -15.072 3.076 6.055 1.00 0.00 N ATOM 314 CA LEU A 26 -14.243 4.179 5.604 1.00 0.00 C ATOM 315 C LEU A 26 -15.106 5.353 5.147 1.00 0.00 C ATOM 316 O LEU A 26 -16.322 5.219 4.981 1.00 0.00 O ATOM 317 CB LEU A 26 -13.325 3.714 4.467 1.00 0.00 C ATOM 318 CG LEU A 26 -12.538 2.430 4.752 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.762 2.006 3.517 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.595 2.627 5.932 1.00 0.00 C ATOM 0 H LEU A 26 -15.360 2.437 5.314 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.628 4.515 6.439 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.929 3.561 3.573 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.618 4.513 4.241 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.245 1.641 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.207 1.093 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.456 1.824 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.066 2.796 3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.046 1.704 6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.891 3.428 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.172 2.890 6.819 1.00 0.00 H new ATOM 332 N GLN A 27 -14.475 6.502 4.965 1.00 0.00 N ATOM 333 CA GLN A 27 -15.169 7.705 4.528 1.00 0.00 C ATOM 334 C GLN A 27 -15.599 7.579 3.069 1.00 0.00 C ATOM 335 O GLN A 27 -14.766 7.590 2.161 1.00 0.00 O ATOM 336 CB GLN A 27 -14.262 8.920 4.712 1.00 0.00 C ATOM 337 CG GLN A 27 -14.987 10.245 4.570 1.00 0.00 C ATOM 338 CD GLN A 27 -15.933 10.522 5.721 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.685 10.123 6.863 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.025 11.205 5.427 1.00 0.00 N ATOM 0 H GLN A 27 -13.474 6.628 5.115 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.065 7.834 5.136 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.800 8.872 5.698 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.456 8.876 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.255 11.050 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.548 10.249 3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.190 11.515 4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.703 11.422 6.158 1.00 0.00 H new ATOM 349 N ALA A 28 -16.899 7.453 2.851 1.00 0.00 N ATOM 350 CA ALA A 28 -17.444 7.319 1.509 1.00 0.00 C ATOM 351 C ALA A 28 -17.148 8.559 0.675 1.00 0.00 C ATOM 352 O ALA A 28 -17.424 9.685 1.100 1.00 0.00 O ATOM 353 CB ALA A 28 -18.943 7.066 1.572 1.00 0.00 C ATOM 0 H ALA A 28 -17.600 7.441 3.592 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.964 6.466 1.029 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.338 6.968 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.134 6.148 2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.432 7.901 2.073 1.00 0.00 H new ATOM 359 N GLY A 29 -16.567 8.351 -0.499 1.00 0.00 N ATOM 360 CA GLY A 29 -16.247 9.464 -1.367 1.00 0.00 C ATOM 361 C GLY A 29 -14.773 9.817 -1.371 1.00 0.00 C ATOM 362 O GLY A 29 -14.351 10.708 -2.106 1.00 0.00 O ATOM 0 H GLY A 29 -16.313 7.433 -0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.559 9.224 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.821 10.336 -1.055 1.00 0.00 H new ATOM 366 N THR A 30 -13.981 9.133 -0.555 1.00 0.00 N ATOM 367 CA THR A 30 -12.551 9.411 -0.497 1.00 0.00 C ATOM 368 C THR A 30 -11.757 8.366 -1.275 1.00 0.00 C ATOM 369 O THR A 30 -12.265 7.284 -1.577 1.00 0.00 O ATOM 370 CB THR A 30 -12.037 9.464 0.955 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.294 8.220 1.618 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.699 10.596 1.724 1.00 0.00 C ATOM 0 H THR A 30 -14.299 8.391 0.069 1.00 0.00 H new ATOM 0 HA THR A 30 -12.403 10.390 -0.954 1.00 0.00 H new ATOM 0 HB THR A 30 -10.962 9.643 0.925 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.236 8.181 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.320 10.612 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.475 11.546 1.238 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.778 10.443 1.740 1.00 0.00 H new ATOM 380 N ALA A 31 -10.515 8.700 -1.606 1.00 0.00 N ATOM 381 CA ALA A 31 -9.645 7.799 -2.345 1.00 0.00 C ATOM 382 C ALA A 31 -8.463 7.375 -1.483 1.00 0.00 C ATOM 383 O ALA A 31 -7.897 8.185 -0.749 1.00 0.00 O ATOM 384 CB ALA A 31 -9.157 8.460 -3.622 1.00 0.00 C ATOM 0 H ALA A 31 -10.087 9.596 -1.371 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.216 6.910 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.507 7.772 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.012 8.719 -4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.601 9.364 -3.374 1.00 0.00 H new ATOM 390 N TYR A 32 -8.101 6.107 -1.567 1.00 0.00 N ATOM 391 CA TYR A 32 -6.991 5.578 -0.795 1.00 0.00 C ATOM 392 C TYR A 32 -5.907 5.028 -1.712 1.00 0.00 C ATOM 393 O TYR A 32 -6.184 4.220 -2.600 1.00 0.00 O ATOM 394 CB TYR A 32 -7.476 4.477 0.154 1.00 0.00 C ATOM 395 CG TYR A 32 -8.033 5.002 1.457 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.318 5.528 1.528 1.00 0.00 C ATOM 397 CD2 TYR A 32 -7.268 4.983 2.614 1.00 0.00 C ATOM 398 CE1 TYR A 32 -9.824 6.016 2.718 1.00 0.00 C ATOM 399 CE2 TYR A 32 -7.764 5.469 3.806 1.00 0.00 C ATOM 400 CZ TYR A 32 -9.040 5.985 3.853 1.00 0.00 C ATOM 401 OH TYR A 32 -9.526 6.475 5.039 1.00 0.00 O ATOM 0 H TYR A 32 -8.562 5.422 -2.165 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.570 6.394 -0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.244 3.888 -0.348 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.647 3.803 0.369 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.931 5.556 0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.266 4.581 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.825 6.418 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.155 5.445 4.698 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.846 6.376 5.737 1.00 0.00 H new ATOM 411 N ASP A 33 -4.681 5.482 -1.508 1.00 0.00 N ATOM 412 CA ASP A 33 -3.551 5.020 -2.303 1.00 0.00 C ATOM 413 C ASP A 33 -2.999 3.750 -1.685 1.00 0.00 C ATOM 414 O ASP A 33 -2.571 3.752 -0.530 1.00 0.00 O ATOM 415 CB ASP A 33 -2.458 6.087 -2.371 1.00 0.00 C ATOM 416 CG ASP A 33 -1.539 5.900 -3.563 1.00 0.00 C ATOM 417 OD1 ASP A 33 -0.540 5.162 -3.445 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.810 6.502 -4.625 1.00 0.00 O ATOM 0 H ASP A 33 -4.441 6.172 -0.797 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.890 4.821 -3.320 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.920 7.073 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.869 6.059 -1.454 1.00 0.00 H new ATOM 423 N VAL A 34 -3.036 2.663 -2.438 1.00 0.00 N ATOM 424 CA VAL A 34 -2.563 1.386 -1.937 1.00 0.00 C ATOM 425 C VAL A 34 -1.412 0.844 -2.774 1.00 0.00 C ATOM 426 O VAL A 34 -1.488 0.801 -4.006 1.00 0.00 O ATOM 427 CB VAL A 34 -3.693 0.335 -1.912 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.361 -0.761 -0.919 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.032 0.975 -1.583 1.00 0.00 C ATOM 0 H VAL A 34 -3.388 2.640 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.213 1.567 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.775 -0.105 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.164 -1.498 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.428 -1.245 -1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.251 -0.330 0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.808 0.210 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.977 1.450 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.272 1.725 -2.337 1.00 0.00 H new ATOM 439 N GLY A 35 -0.346 0.452 -2.095 1.00 0.00 N ATOM 440 CA GLY A 35 0.807 -0.114 -2.760 1.00 0.00 C ATOM 441 C GLY A 35 1.676 -0.863 -1.777 1.00 0.00 C ATOM 442 O GLY A 35 1.370 -0.902 -0.581 1.00 0.00 O ATOM 0 H GLY A 35 -0.259 0.517 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.482 -0.788 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.386 0.679 -3.234 1.00 0.00 H new ATOM 446 N GLN A 36 2.758 -1.456 -2.259 1.00 0.00 N ATOM 447 CA GLN A 36 3.663 -2.188 -1.385 1.00 0.00 C ATOM 448 C GLN A 36 4.651 -1.217 -0.747 1.00 0.00 C ATOM 449 O GLN A 36 5.860 -1.327 -0.922 1.00 0.00 O ATOM 450 CB GLN A 36 4.404 -3.302 -2.140 1.00 0.00 C ATOM 451 CG GLN A 36 4.957 -2.878 -3.494 1.00 0.00 C ATOM 452 CD GLN A 36 5.796 -3.958 -4.157 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.770 -4.119 -5.378 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.561 -4.694 -3.364 1.00 0.00 N ATOM 0 H GLN A 36 3.030 -1.445 -3.242 1.00 0.00 H new ATOM 0 HA GLN A 36 3.074 -2.668 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.226 -3.660 -1.521 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.724 -4.142 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.129 -2.614 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.563 -1.981 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.556 -4.532 -2.357 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.155 -5.423 -3.761 1.00 0.00 H new ATOM 463 N CYS A 37 4.107 -0.256 -0.017 1.00 0.00 N ATOM 464 CA CYS A 37 4.903 0.762 0.649 1.00 0.00 C ATOM 465 C CYS A 37 5.737 0.169 1.780 1.00 0.00 C ATOM 466 O CYS A 37 5.243 -0.047 2.888 1.00 0.00 O ATOM 467 CB CYS A 37 3.986 1.853 1.187 1.00 0.00 C ATOM 468 SG CYS A 37 2.428 2.026 0.255 1.00 0.00 S ATOM 0 H CYS A 37 3.102 -0.160 0.130 1.00 0.00 H new ATOM 0 HA CYS A 37 5.593 1.189 -0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.753 1.638 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.518 2.804 1.168 1.00 0.00 H new ATOM 473 N ALA A 38 7.000 -0.093 1.489 1.00 0.00 N ATOM 474 CA ALA A 38 7.909 -0.659 2.470 1.00 0.00 C ATOM 475 C ALA A 38 8.858 0.408 3.002 1.00 0.00 C ATOM 476 O ALA A 38 8.814 1.563 2.568 1.00 0.00 O ATOM 477 CB ALA A 38 8.687 -1.814 1.860 1.00 0.00 C ATOM 0 H ALA A 38 7.421 0.079 0.576 1.00 0.00 H new ATOM 0 HA ALA A 38 7.324 -1.039 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.365 -2.230 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.992 -2.587 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.262 -1.455 1.007 1.00 0.00 H new ATOM 483 N TRP A 39 9.708 0.013 3.940 1.00 0.00 N ATOM 484 CA TRP A 39 10.675 0.918 4.541 1.00 0.00 C ATOM 485 C TRP A 39 11.757 1.286 3.533 1.00 0.00 C ATOM 486 O TRP A 39 12.523 0.430 3.092 1.00 0.00 O ATOM 487 CB TRP A 39 11.311 0.257 5.765 1.00 0.00 C ATOM 488 CG TRP A 39 11.085 0.998 7.044 1.00 0.00 C ATOM 489 CD1 TRP A 39 9.930 1.590 7.459 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.043 1.210 8.085 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.111 2.166 8.693 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.404 1.945 9.098 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.382 0.851 8.254 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.061 2.327 10.266 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.032 1.229 9.412 1.00 0.00 C ATOM 496 CH2 TRP A 39 13.372 1.961 10.405 1.00 0.00 C ATOM 0 H TRP A 39 9.746 -0.939 4.304 1.00 0.00 H new ATOM 0 HA TRP A 39 10.159 1.828 4.848 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.913 -0.753 5.867 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.384 0.162 5.597 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.007 1.604 6.899 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.402 2.674 9.221 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.900 0.287 7.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.554 2.892 11.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.067 0.955 9.554 1.00 0.00 H new ATOM 0 HH2 TRP A 39 13.908 2.243 11.299 1.00 0.00 H new ATOM 507 N VAL A 40 11.807 2.555 3.158 1.00 0.00 N ATOM 508 CA VAL A 40 12.799 3.024 2.203 1.00 0.00 C ATOM 509 C VAL A 40 13.924 3.769 2.923 1.00 0.00 C ATOM 510 O VAL A 40 15.043 3.871 2.419 1.00 0.00 O ATOM 511 CB VAL A 40 12.157 3.918 1.114 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.696 5.251 1.685 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.117 4.129 -0.044 1.00 0.00 C ATOM 0 H VAL A 40 11.173 3.277 3.500 1.00 0.00 H new ATOM 0 HA VAL A 40 13.223 2.152 1.705 1.00 0.00 H new ATOM 0 HB VAL A 40 11.275 3.399 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.251 5.852 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.957 5.076 2.466 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.550 5.781 2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.645 4.760 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.024 4.613 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.372 3.166 -0.485 1.00 0.00 H new ATOM 523 N ASP A 41 13.620 4.270 4.112 1.00 0.00 N ATOM 524 CA ASP A 41 14.594 4.985 4.926 1.00 0.00 C ATOM 525 C ASP A 41 14.245 4.785 6.393 1.00 0.00 C ATOM 526 O ASP A 41 13.301 4.060 6.711 1.00 0.00 O ATOM 527 CB ASP A 41 14.606 6.481 4.579 1.00 0.00 C ATOM 528 CG ASP A 41 15.966 7.126 4.783 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.388 7.285 5.948 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.616 7.488 3.780 1.00 0.00 O ATOM 0 H ASP A 41 12.696 4.193 4.538 1.00 0.00 H new ATOM 0 HA ASP A 41 15.590 4.591 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.301 6.610 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.869 6.997 5.194 1.00 0.00 H new ATOM 535 N THR A 42 14.976 5.436 7.282 1.00 0.00 N ATOM 536 CA THR A 42 14.728 5.305 8.706 1.00 0.00 C ATOM 537 C THR A 42 13.433 6.016 9.103 1.00 0.00 C ATOM 538 O THR A 42 13.422 7.215 9.387 1.00 0.00 O ATOM 539 CB THR A 42 15.902 5.861 9.535 1.00 0.00 C ATOM 540 OG1 THR A 42 17.151 5.537 8.900 1.00 0.00 O ATOM 541 CG2 THR A 42 15.883 5.283 10.943 1.00 0.00 C ATOM 0 H THR A 42 15.746 6.060 7.042 1.00 0.00 H new ATOM 0 HA THR A 42 14.628 4.241 8.919 1.00 0.00 H new ATOM 0 HB THR A 42 15.796 6.944 9.596 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.891 5.896 9.433 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.719 5.687 11.513 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.947 5.550 11.433 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.969 4.198 10.892 1.00 0.00 H new ATOM 549 N GLY A 43 12.338 5.270 9.077 1.00 0.00 N ATOM 550 CA GLY A 43 11.051 5.821 9.443 1.00 0.00 C ATOM 551 C GLY A 43 10.275 6.311 8.242 1.00 0.00 C ATOM 552 O GLY A 43 9.134 6.761 8.366 1.00 0.00 O ATOM 0 H GLY A 43 12.319 4.287 8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.468 5.062 9.964 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.196 6.646 10.140 1.00 0.00 H new ATOM 556 N VAL A 44 10.888 6.211 7.075 1.00 0.00 N ATOM 557 CA VAL A 44 10.260 6.658 5.843 1.00 0.00 C ATOM 558 C VAL A 44 9.792 5.471 5.016 1.00 0.00 C ATOM 559 O VAL A 44 10.572 4.566 4.705 1.00 0.00 O ATOM 560 CB VAL A 44 11.215 7.527 4.994 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.497 8.083 3.771 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.797 8.656 5.831 1.00 0.00 C ATOM 0 H VAL A 44 11.823 5.823 6.954 1.00 0.00 H new ATOM 0 HA VAL A 44 9.401 7.266 6.127 1.00 0.00 H new ATOM 0 HB VAL A 44 12.034 6.895 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.189 8.691 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.133 7.259 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.655 8.697 4.091 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.467 9.257 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.989 9.284 6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.353 8.238 6.670 1.00 0.00 H new ATOM 572 N LEU A 45 8.514 5.473 4.681 1.00 0.00 N ATOM 573 CA LEU A 45 7.927 4.416 3.876 1.00 0.00 C ATOM 574 C LEU A 45 7.508 4.998 2.535 1.00 0.00 C ATOM 575 O LEU A 45 7.068 6.143 2.477 1.00 0.00 O ATOM 576 CB LEU A 45 6.717 3.804 4.587 1.00 0.00 C ATOM 577 CG LEU A 45 6.879 3.606 6.095 1.00 0.00 C ATOM 578 CD1 LEU A 45 6.103 4.666 6.862 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.431 2.212 6.498 1.00 0.00 C ATOM 0 H LEU A 45 7.857 6.203 4.957 1.00 0.00 H new ATOM 0 HA LEU A 45 8.663 3.626 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.851 4.443 4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.498 2.838 4.131 1.00 0.00 H new ATOM 0 HG LEU A 45 7.934 3.712 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.231 4.507 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.476 5.655 6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.045 4.597 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.553 2.088 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.382 2.076 6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.036 1.470 5.976 1.00 0.00 H new ATOM 591 N ALA A 46 7.648 4.230 1.467 1.00 0.00 N ATOM 592 CA ALA A 46 7.290 4.718 0.143 1.00 0.00 C ATOM 593 C ALA A 46 6.563 3.651 -0.665 1.00 0.00 C ATOM 594 O ALA A 46 6.928 2.477 -0.619 1.00 0.00 O ATOM 595 CB ALA A 46 8.534 5.188 -0.585 1.00 0.00 C ATOM 0 H ALA A 46 8.004 3.274 1.488 1.00 0.00 H new ATOM 0 HA ALA A 46 6.607 5.559 0.260 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.260 5.552 -1.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.004 5.993 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.233 4.358 -0.684 1.00 0.00 H new ATOM 601 N CYS A 47 5.539 4.066 -1.405 1.00 0.00 N ATOM 602 CA CYS A 47 4.752 3.140 -2.218 1.00 0.00 C ATOM 603 C CYS A 47 5.279 3.086 -3.647 1.00 0.00 C ATOM 604 O CYS A 47 6.064 3.938 -4.054 1.00 0.00 O ATOM 605 CB CYS A 47 3.278 3.556 -2.237 1.00 0.00 C ATOM 606 SG CYS A 47 2.555 3.865 -0.594 1.00 0.00 S ATOM 0 H CYS A 47 5.233 5.038 -1.459 1.00 0.00 H new ATOM 0 HA CYS A 47 4.841 2.151 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.177 4.459 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.700 2.776 -2.733 1.00 0.00 H new ATOM 611 N ASN A 48 4.836 2.084 -4.398 1.00 0.00 N ATOM 612 CA ASN A 48 5.247 1.910 -5.787 1.00 0.00 C ATOM 613 C ASN A 48 4.209 2.519 -6.729 1.00 0.00 C ATOM 614 O ASN A 48 3.031 2.189 -6.653 1.00 0.00 O ATOM 615 CB ASN A 48 5.450 0.420 -6.118 1.00 0.00 C ATOM 616 CG ASN A 48 4.233 -0.451 -5.828 1.00 0.00 C ATOM 617 OD1 ASN A 48 3.474 -0.206 -4.889 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.056 -1.497 -6.623 1.00 0.00 N ATOM 0 H ASN A 48 4.185 1.373 -4.064 1.00 0.00 H new ATOM 0 HA ASN A 48 6.197 2.426 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.709 0.325 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.298 0.044 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.271 -2.130 -6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.705 -1.669 -7.391 1.00 0.00 H new ATOM 625 N PRO A 49 4.629 3.420 -7.631 1.00 0.00 N ATOM 626 CA PRO A 49 3.722 4.080 -8.576 1.00 0.00 C ATOM 627 C PRO A 49 3.441 3.244 -9.827 1.00 0.00 C ATOM 628 O PRO A 49 2.595 3.603 -10.648 1.00 0.00 O ATOM 629 CB PRO A 49 4.500 5.338 -8.949 1.00 0.00 C ATOM 630 CG PRO A 49 5.926 4.911 -8.896 1.00 0.00 C ATOM 631 CD PRO A 49 6.020 3.886 -7.793 1.00 0.00 C ATOM 0 HA PRO A 49 2.738 4.259 -8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.227 5.696 -9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.301 6.152 -8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.240 4.486 -9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.579 5.760 -8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.688 3.068 -8.062 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.406 4.323 -6.872 1.00 0.00 H new ATOM 639 N ALA A 50 4.146 2.129 -9.973 1.00 0.00 N ATOM 640 CA ALA A 50 3.968 1.276 -11.138 1.00 0.00 C ATOM 641 C ALA A 50 2.824 0.285 -10.945 1.00 0.00 C ATOM 642 O ALA A 50 1.909 0.221 -11.767 1.00 0.00 O ATOM 643 CB ALA A 50 5.257 0.542 -11.457 1.00 0.00 C ATOM 0 H ALA A 50 4.841 1.797 -9.304 1.00 0.00 H new ATOM 0 HA ALA A 50 3.707 1.918 -11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.108 -0.092 -12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.046 1.265 -11.664 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.545 -0.075 -10.606 1.00 0.00 H new ATOM 649 N ASP A 51 2.862 -0.469 -9.853 1.00 0.00 N ATOM 650 CA ASP A 51 1.830 -1.467 -9.582 1.00 0.00 C ATOM 651 C ASP A 51 0.965 -1.056 -8.396 1.00 0.00 C ATOM 652 O ASP A 51 0.786 -1.822 -7.446 1.00 0.00 O ATOM 653 CB ASP A 51 2.457 -2.840 -9.313 1.00 0.00 C ATOM 654 CG ASP A 51 3.218 -3.386 -10.503 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.577 -3.838 -11.476 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.464 -3.380 -10.468 1.00 0.00 O ATOM 0 H ASP A 51 3.592 -0.410 -9.143 1.00 0.00 H new ATOM 0 HA ASP A 51 1.198 -1.533 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.132 -2.764 -8.461 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.672 -3.544 -9.037 1.00 0.00 H new ATOM 661 N PHE A 52 0.435 0.155 -8.450 1.00 0.00 N ATOM 662 CA PHE A 52 -0.419 0.652 -7.383 1.00 0.00 C ATOM 663 C PHE A 52 -1.841 0.821 -7.894 1.00 0.00 C ATOM 664 O PHE A 52 -2.089 0.746 -9.100 1.00 0.00 O ATOM 665 CB PHE A 52 0.108 1.987 -6.835 1.00 0.00 C ATOM 666 CG PHE A 52 -0.412 3.206 -7.559 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.057 3.537 -8.820 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.375 4.014 -6.975 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.424 4.651 -9.483 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.859 5.127 -7.633 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.383 5.446 -8.889 1.00 0.00 C ATOM 0 H PHE A 52 0.580 0.810 -9.218 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.413 -0.075 -6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.159 2.064 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.197 1.984 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.807 2.918 -9.290 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.752 3.770 -5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.049 4.899 -10.465 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.609 5.748 -7.166 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.760 6.316 -9.406 1.00 0.00 H new ATOM 681 N SER A 53 -2.773 1.027 -6.980 1.00 0.00 N ATOM 682 CA SER A 53 -4.165 1.232 -7.339 1.00 0.00 C ATOM 683 C SER A 53 -4.860 2.097 -6.295 1.00 0.00 C ATOM 684 O SER A 53 -4.968 1.720 -5.126 1.00 0.00 O ATOM 685 CB SER A 53 -4.887 -0.107 -7.504 1.00 0.00 C ATOM 686 OG SER A 53 -4.311 -0.855 -8.564 1.00 0.00 O ATOM 0 H SER A 53 -2.589 1.057 -5.977 1.00 0.00 H new ATOM 0 HA SER A 53 -4.201 1.752 -8.296 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.828 -0.676 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.944 0.066 -7.705 1.00 0.00 H new ATOM 0 HG SER A 53 -3.582 -0.340 -8.969 1.00 0.00 H new ATOM 692 N SER A 54 -5.304 3.271 -6.719 1.00 0.00 N ATOM 693 CA SER A 54 -5.981 4.196 -5.830 1.00 0.00 C ATOM 694 C SER A 54 -7.484 3.936 -5.841 1.00 0.00 C ATOM 695 O SER A 54 -8.223 4.511 -6.642 1.00 0.00 O ATOM 696 CB SER A 54 -5.674 5.636 -6.248 1.00 0.00 C ATOM 697 OG SER A 54 -5.530 5.731 -7.658 1.00 0.00 O ATOM 0 H SER A 54 -5.206 3.604 -7.678 1.00 0.00 H new ATOM 0 HA SER A 54 -5.619 4.045 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.475 6.295 -5.914 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.759 5.974 -5.761 1.00 0.00 H new ATOM 0 HG SER A 54 -5.336 6.659 -7.905 1.00 0.00 H new ATOM 703 N VAL A 55 -7.926 3.048 -4.966 1.00 0.00 N ATOM 704 CA VAL A 55 -9.336 2.703 -4.881 1.00 0.00 C ATOM 705 C VAL A 55 -10.097 3.732 -4.049 1.00 0.00 C ATOM 706 O VAL A 55 -9.558 4.301 -3.100 1.00 0.00 O ATOM 707 CB VAL A 55 -9.533 1.286 -4.293 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.006 1.200 -2.864 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.994 0.853 -4.368 1.00 0.00 C ATOM 0 H VAL A 55 -7.329 2.553 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.738 2.709 -5.894 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.951 0.595 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.159 0.192 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.941 1.434 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.540 1.913 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.099 -0.147 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.610 1.552 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.318 0.844 -5.409 1.00 0.00 H new ATOM 719 N THR A 56 -11.337 3.989 -4.430 1.00 0.00 N ATOM 720 CA THR A 56 -12.169 4.942 -3.725 1.00 0.00 C ATOM 721 C THR A 56 -13.254 4.226 -2.927 1.00 0.00 C ATOM 722 O THR A 56 -13.681 3.126 -3.286 1.00 0.00 O ATOM 723 CB THR A 56 -12.815 5.941 -4.712 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.396 7.045 -4.006 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.883 5.267 -5.562 1.00 0.00 C ATOM 0 H THR A 56 -11.790 3.546 -5.230 1.00 0.00 H new ATOM 0 HA THR A 56 -11.532 5.494 -3.034 1.00 0.00 H new ATOM 0 HB THR A 56 -12.025 6.306 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.050 7.066 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.318 5.996 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.434 4.456 -6.135 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.663 4.866 -4.915 1.00 0.00 H new ATOM 733 N ALA A 57 -13.668 4.839 -1.829 1.00 0.00 N ATOM 734 CA ALA A 57 -14.715 4.280 -0.997 1.00 0.00 C ATOM 735 C ALA A 57 -16.068 4.549 -1.635 1.00 0.00 C ATOM 736 O ALA A 57 -16.430 5.705 -1.875 1.00 0.00 O ATOM 737 CB ALA A 57 -14.657 4.859 0.409 1.00 0.00 C ATOM 0 H ALA A 57 -13.292 5.726 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.567 3.203 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.452 4.424 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.691 4.628 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.786 5.940 0.363 1.00 0.00 H new ATOM 743 N ASP A 58 -16.800 3.480 -1.906 1.00 0.00 N ATOM 744 CA ASP A 58 -18.112 3.568 -2.540 1.00 0.00 C ATOM 745 C ASP A 58 -19.164 4.127 -1.588 1.00 0.00 C ATOM 746 O ASP A 58 -18.854 4.547 -0.471 1.00 0.00 O ATOM 747 CB ASP A 58 -18.552 2.189 -3.047 1.00 0.00 C ATOM 748 CG ASP A 58 -18.441 1.089 -2.002 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.711 1.345 -0.810 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.086 -0.048 -2.378 1.00 0.00 O ATOM 0 H ASP A 58 -16.505 2.527 -1.694 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.022 4.254 -3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.585 2.250 -3.389 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.946 1.919 -3.912 1.00 0.00 H new ATOM 755 N ALA A 59 -20.416 4.106 -2.038 1.00 0.00 N ATOM 756 CA ALA A 59 -21.540 4.610 -1.254 1.00 0.00 C ATOM 757 C ALA A 59 -21.788 3.762 -0.010 1.00 0.00 C ATOM 758 O ALA A 59 -22.543 4.154 0.879 1.00 0.00 O ATOM 759 CB ALA A 59 -22.792 4.654 -2.111 1.00 0.00 C ATOM 0 H ALA A 59 -20.679 3.740 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.289 5.618 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.626 5.031 -1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.626 5.312 -2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.025 3.650 -2.467 1.00 0.00 H new ATOM 765 N ASN A 60 -21.154 2.601 0.047 1.00 0.00 N ATOM 766 CA ASN A 60 -21.298 1.705 1.186 1.00 0.00 C ATOM 767 C ASN A 60 -20.173 1.956 2.180 1.00 0.00 C ATOM 768 O ASN A 60 -20.090 1.303 3.226 1.00 0.00 O ATOM 769 CB ASN A 60 -21.267 0.238 0.736 1.00 0.00 C ATOM 770 CG ASN A 60 -22.377 -0.107 -0.238 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.502 0.378 -0.114 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.076 -0.948 -1.214 1.00 0.00 N ATOM 0 H ASN A 60 -20.533 2.256 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.260 1.902 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.304 0.027 0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.346 -0.407 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.787 -1.214 -1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.133 -1.330 -1.285 1.00 0.00 H new ATOM 779 N GLY A 61 -19.303 2.902 1.843 1.00 0.00 N ATOM 780 CA GLY A 61 -18.187 3.228 2.704 1.00 0.00 C ATOM 781 C GLY A 61 -17.148 2.129 2.705 1.00 0.00 C ATOM 782 O GLY A 61 -16.445 1.923 3.696 1.00 0.00 O ATOM 0 H GLY A 61 -19.354 3.450 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.731 4.161 2.373 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.546 3.392 3.720 1.00 0.00 H new ATOM 786 N SER A 62 -17.058 1.415 1.595 1.00 0.00 N ATOM 787 CA SER A 62 -16.110 0.328 1.472 1.00 0.00 C ATOM 788 C SER A 62 -15.187 0.539 0.281 1.00 0.00 C ATOM 789 O SER A 62 -15.527 1.248 -0.666 1.00 0.00 O ATOM 790 CB SER A 62 -16.861 -0.995 1.335 1.00 0.00 C ATOM 791 OG SER A 62 -18.170 -0.787 0.828 1.00 0.00 O ATOM 0 H SER A 62 -17.632 1.572 0.767 1.00 0.00 H new ATOM 0 HA SER A 62 -15.494 0.301 2.371 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.312 -1.662 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.917 -1.488 2.306 1.00 0.00 H new ATOM 0 HG SER A 62 -18.148 -0.085 0.145 1.00 0.00 H new ATOM 797 N ALA A 63 -14.016 -0.075 0.347 1.00 0.00 N ATOM 798 CA ALA A 63 -13.032 0.021 -0.719 1.00 0.00 C ATOM 799 C ALA A 63 -12.230 -1.269 -0.801 1.00 0.00 C ATOM 800 O ALA A 63 -11.724 -1.758 0.211 1.00 0.00 O ATOM 801 CB ALA A 63 -12.107 1.212 -0.499 1.00 0.00 C ATOM 0 H ALA A 63 -13.722 -0.651 1.136 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.556 0.173 -1.663 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.380 1.263 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.694 2.130 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.584 1.096 0.451 1.00 0.00 H new ATOM 807 N SER A 64 -12.132 -1.829 -1.993 1.00 0.00 N ATOM 808 CA SER A 64 -11.392 -3.063 -2.189 1.00 0.00 C ATOM 809 C SER A 64 -10.550 -2.996 -3.455 1.00 0.00 C ATOM 810 O SER A 64 -11.039 -2.622 -4.523 1.00 0.00 O ATOM 811 CB SER A 64 -12.353 -4.253 -2.264 1.00 0.00 C ATOM 812 OG SER A 64 -11.649 -5.485 -2.299 1.00 0.00 O ATOM 0 H SER A 64 -12.555 -1.449 -2.840 1.00 0.00 H new ATOM 0 HA SER A 64 -10.725 -3.196 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.021 -4.238 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.977 -4.163 -3.153 1.00 0.00 H new ATOM 0 HG SER A 64 -12.289 -6.226 -2.345 1.00 0.00 H new ATOM 818 N THR A 65 -9.285 -3.348 -3.330 1.00 0.00 N ATOM 819 CA THR A 65 -8.380 -3.345 -4.462 1.00 0.00 C ATOM 820 C THR A 65 -7.350 -4.465 -4.319 1.00 0.00 C ATOM 821 O THR A 65 -7.271 -5.118 -3.275 1.00 0.00 O ATOM 822 CB THR A 65 -7.678 -1.981 -4.627 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.089 -1.888 -5.927 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.607 -1.776 -3.569 1.00 0.00 C ATOM 0 H THR A 65 -8.859 -3.641 -2.451 1.00 0.00 H new ATOM 0 HA THR A 65 -8.971 -3.520 -5.361 1.00 0.00 H new ATOM 0 HB THR A 65 -8.431 -1.202 -4.507 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.223 -0.985 -6.283 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.133 -0.805 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.062 -1.813 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.857 -2.563 -3.653 1.00 0.00 H new ATOM 832 N SER A 66 -6.578 -4.699 -5.365 1.00 0.00 N ATOM 833 CA SER A 66 -5.570 -5.744 -5.352 1.00 0.00 C ATOM 834 C SER A 66 -4.288 -5.231 -5.999 1.00 0.00 C ATOM 835 O SER A 66 -4.328 -4.614 -7.061 1.00 0.00 O ATOM 836 CB SER A 66 -6.102 -6.975 -6.083 1.00 0.00 C ATOM 837 OG SER A 66 -7.301 -7.442 -5.479 1.00 0.00 O ATOM 0 H SER A 66 -6.631 -4.176 -6.239 1.00 0.00 H new ATOM 0 HA SER A 66 -5.342 -6.026 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.288 -6.730 -7.129 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.351 -7.765 -6.069 1.00 0.00 H new ATOM 0 HG SER A 66 -7.626 -8.230 -5.963 1.00 0.00 H new ATOM 843 N LEU A 67 -3.153 -5.478 -5.355 1.00 0.00 N ATOM 844 CA LEU A 67 -1.872 -5.003 -5.872 1.00 0.00 C ATOM 845 C LEU A 67 -0.947 -6.162 -6.212 1.00 0.00 C ATOM 846 O LEU A 67 -1.071 -7.250 -5.655 1.00 0.00 O ATOM 847 CB LEU A 67 -1.171 -4.101 -4.846 1.00 0.00 C ATOM 848 CG LEU A 67 -1.887 -2.792 -4.488 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.413 -2.102 -5.736 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.013 -3.051 -3.498 1.00 0.00 C ATOM 0 H LEU A 67 -3.092 -6.000 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.085 -4.436 -6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.027 -4.673 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.180 -3.855 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.163 -2.127 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.916 -1.177 -5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.582 -1.875 -6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.118 -2.759 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.509 -2.111 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.735 -3.739 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.604 -3.490 -2.588 1.00 0.00 H new ATOM 862 N THR A 68 -0.021 -5.914 -7.125 1.00 0.00 N ATOM 863 CA THR A 68 0.949 -6.918 -7.533 1.00 0.00 C ATOM 864 C THR A 68 2.282 -6.646 -6.842 1.00 0.00 C ATOM 865 O THR A 68 2.999 -5.717 -7.214 1.00 0.00 O ATOM 866 CB THR A 68 1.143 -6.903 -9.062 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.130 -6.748 -9.715 1.00 0.00 O ATOM 868 CG2 THR A 68 1.811 -8.186 -9.541 1.00 0.00 C ATOM 0 H THR A 68 0.079 -5.018 -7.601 1.00 0.00 H new ATOM 0 HA THR A 68 0.577 -7.901 -7.244 1.00 0.00 H new ATOM 0 HB THR A 68 1.789 -6.062 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.000 -6.737 -10.686 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.936 -8.149 -10.623 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.787 -8.287 -9.066 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.189 -9.041 -9.277 1.00 0.00 H new ATOM 876 N VAL A 69 2.597 -7.440 -5.829 1.00 0.00 N ATOM 877 CA VAL A 69 3.834 -7.254 -5.082 1.00 0.00 C ATOM 878 C VAL A 69 5.048 -7.719 -5.888 1.00 0.00 C ATOM 879 O VAL A 69 5.111 -8.855 -6.348 1.00 0.00 O ATOM 880 CB VAL A 69 3.786 -7.973 -3.709 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.582 -9.476 -3.866 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.044 -7.678 -2.903 1.00 0.00 C ATOM 0 H VAL A 69 2.018 -8.215 -5.506 1.00 0.00 H new ATOM 0 HA VAL A 69 3.937 -6.185 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 69 2.927 -7.583 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.554 -9.944 -2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.641 -9.663 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.405 -9.896 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.990 -8.192 -1.943 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.918 -8.027 -3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.125 -6.604 -2.735 1.00 0.00 H new ATOM 892 N ARG A 70 5.992 -6.812 -6.083 1.00 0.00 N ATOM 893 CA ARG A 70 7.206 -7.113 -6.825 1.00 0.00 C ATOM 894 C ARG A 70 8.379 -7.291 -5.866 1.00 0.00 C ATOM 895 O ARG A 70 8.255 -7.037 -4.661 1.00 0.00 O ATOM 896 CB ARG A 70 7.526 -5.986 -7.814 1.00 0.00 C ATOM 897 CG ARG A 70 6.348 -5.558 -8.674 1.00 0.00 C ATOM 898 CD ARG A 70 6.030 -6.580 -9.755 1.00 0.00 C ATOM 899 NE ARG A 70 5.011 -6.083 -10.675 1.00 0.00 N ATOM 900 CZ ARG A 70 4.452 -6.806 -11.647 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.811 -8.071 -11.847 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.519 -6.256 -12.410 1.00 0.00 N ATOM 0 H ARG A 70 5.940 -5.855 -5.735 1.00 0.00 H new ATOM 0 HA ARG A 70 7.046 -8.038 -7.379 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.888 -5.122 -7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.338 -6.309 -8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.471 -5.414 -8.042 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.568 -4.596 -9.138 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.937 -6.819 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.685 -7.505 -9.293 1.00 0.00 H new ATOM 0 HE ARG A 70 4.705 -5.116 -10.567 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.522 -8.499 -11.254 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.376 -8.613 -12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.235 -5.289 -12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.085 -6.799 -13.156 1.00 0.00 H new ATOM 916 N ARG A 71 9.508 -7.728 -6.407 1.00 0.00 N ATOM 917 CA ARG A 71 10.714 -7.928 -5.617 1.00 0.00 C ATOM 918 C ARG A 71 11.426 -6.590 -5.421 1.00 0.00 C ATOM 919 O ARG A 71 11.999 -6.325 -4.362 1.00 0.00 O ATOM 920 CB ARG A 71 11.643 -8.927 -6.313 1.00 0.00 C ATOM 921 CG ARG A 71 12.620 -9.618 -5.373 1.00 0.00 C ATOM 922 CD ARG A 71 11.923 -10.635 -4.482 1.00 0.00 C ATOM 923 NE ARG A 71 11.291 -11.702 -5.256 1.00 0.00 N ATOM 924 CZ ARG A 71 11.088 -12.939 -4.800 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.468 -13.271 -3.572 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.493 -13.842 -5.571 1.00 0.00 N ATOM 0 H ARG A 71 9.613 -7.952 -7.397 1.00 0.00 H new ATOM 0 HA ARG A 71 10.440 -8.332 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.038 -9.684 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.206 -8.406 -7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.395 -10.116 -5.956 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.117 -8.872 -4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.647 -11.068 -3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.169 -10.131 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 71 10.986 -11.487 -6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.917 -12.579 -2.973 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.310 -14.218 -3.228 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.191 -13.590 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.338 -14.788 -5.222 1.00 0.00 H new ATOM 940 N SER A 72 11.372 -5.754 -6.457 1.00 0.00 N ATOM 941 CA SER A 72 11.980 -4.431 -6.432 1.00 0.00 C ATOM 942 C SER A 72 11.010 -3.426 -7.048 1.00 0.00 C ATOM 943 O SER A 72 10.374 -3.711 -8.064 1.00 0.00 O ATOM 944 CB SER A 72 13.298 -4.436 -7.211 1.00 0.00 C ATOM 945 OG SER A 72 13.788 -5.754 -7.374 1.00 0.00 O ATOM 0 H SER A 72 10.905 -5.978 -7.336 1.00 0.00 H new ATOM 0 HA SER A 72 12.193 -4.150 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.148 -3.977 -8.188 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.037 -3.832 -6.685 1.00 0.00 H new ATOM 0 HG SER A 72 14.629 -5.730 -7.876 1.00 0.00 H new ATOM 951 N PHE A 73 10.892 -2.262 -6.436 1.00 0.00 N ATOM 952 CA PHE A 73 9.984 -1.236 -6.928 1.00 0.00 C ATOM 953 C PHE A 73 10.524 0.151 -6.621 1.00 0.00 C ATOM 954 O PHE A 73 11.477 0.297 -5.858 1.00 0.00 O ATOM 955 CB PHE A 73 8.601 -1.411 -6.293 1.00 0.00 C ATOM 956 CG PHE A 73 8.608 -1.312 -4.792 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.921 -2.416 -4.015 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.295 -0.119 -4.161 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.925 -2.333 -2.638 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.299 -0.030 -2.783 1.00 0.00 C ATOM 961 CZ PHE A 73 8.614 -1.141 -2.021 1.00 0.00 C ATOM 0 H PHE A 73 11.412 -2.001 -5.598 1.00 0.00 H new ATOM 0 HA PHE A 73 9.898 -1.342 -8.009 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.928 -0.654 -6.695 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.198 -2.382 -6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.165 -3.353 -4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.046 0.750 -4.752 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.172 -3.201 -2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.057 0.905 -2.301 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.616 -1.074 -0.943 1.00 0.00 H new ATOM 971 N GLU A 74 9.920 1.164 -7.212 1.00 0.00 N ATOM 972 CA GLU A 74 10.342 2.533 -6.982 1.00 0.00 C ATOM 973 C GLU A 74 9.536 3.126 -5.836 1.00 0.00 C ATOM 974 O GLU A 74 8.308 3.095 -5.856 1.00 0.00 O ATOM 975 CB GLU A 74 10.165 3.372 -8.247 1.00 0.00 C ATOM 976 CG GLU A 74 11.130 4.545 -8.334 1.00 0.00 C ATOM 977 CD GLU A 74 12.455 4.171 -8.966 1.00 0.00 C ATOM 978 OE1 GLU A 74 12.972 3.072 -8.683 1.00 0.00 O ATOM 979 OE2 GLU A 74 12.990 4.984 -9.749 1.00 0.00 O ATOM 0 H GLU A 74 9.135 1.065 -7.856 1.00 0.00 H new ATOM 0 HA GLU A 74 11.400 2.538 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.301 2.733 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.143 3.749 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.670 5.346 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.308 4.938 -7.333 1.00 0.00 H new ATOM 986 N GLY A 75 10.227 3.651 -4.838 1.00 0.00 N ATOM 987 CA GLY A 75 9.549 4.225 -3.698 1.00 0.00 C ATOM 988 C GLY A 75 9.182 5.678 -3.913 1.00 0.00 C ATOM 989 O GLY A 75 10.053 6.510 -4.184 1.00 0.00 O ATOM 0 H GLY A 75 11.245 3.690 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.645 3.652 -3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.188 4.141 -2.819 1.00 0.00 H new ATOM 993 N PHE A 76 7.902 5.990 -3.771 1.00 0.00 N ATOM 994 CA PHE A 76 7.421 7.347 -3.950 1.00 0.00 C ATOM 995 C PHE A 76 6.665 7.806 -2.715 1.00 0.00 C ATOM 996 O PHE A 76 5.958 7.023 -2.076 1.00 0.00 O ATOM 997 CB PHE A 76 6.512 7.440 -5.178 1.00 0.00 C ATOM 998 CG PHE A 76 7.212 7.905 -6.424 1.00 0.00 C ATOM 999 CD1 PHE A 76 7.971 7.027 -7.182 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.102 9.221 -6.843 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.607 7.455 -8.331 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.735 9.652 -7.993 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.489 8.768 -8.738 1.00 0.00 C ATOM 0 H PHE A 76 7.176 5.315 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 76 8.283 7.996 -4.102 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.071 6.461 -5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.691 8.123 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.066 5.997 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.515 9.918 -6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.197 6.761 -8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.640 10.680 -8.309 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.985 9.103 -9.637 1.00 0.00 H new ATOM 1013 N LEU A 77 6.826 9.071 -2.377 1.00 0.00 N ATOM 1014 CA LEU A 77 6.150 9.644 -1.230 1.00 0.00 C ATOM 1015 C LEU A 77 4.851 10.297 -1.685 1.00 0.00 C ATOM 1016 O LEU A 77 4.563 10.339 -2.882 1.00 0.00 O ATOM 1017 CB LEU A 77 7.046 10.668 -0.515 1.00 0.00 C ATOM 1018 CG LEU A 77 8.283 10.108 0.208 1.00 0.00 C ATOM 1019 CD1 LEU A 77 7.983 8.769 0.860 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.461 9.982 -0.747 1.00 0.00 C ATOM 0 H LEU A 77 7.423 9.724 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 77 5.926 8.848 -0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.382 11.400 -1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.438 11.204 0.214 1.00 0.00 H new ATOM 0 HG LEU A 77 8.551 10.814 0.994 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.877 8.400 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.182 8.891 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.675 8.054 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.323 9.584 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.198 9.308 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.707 10.963 -1.152 1.00 0.00 H new ATOM 1032 N PHE A 78 4.086 10.832 -0.740 1.00 0.00 N ATOM 1033 CA PHE A 78 2.807 11.464 -1.053 1.00 0.00 C ATOM 1034 C PHE A 78 3.003 12.849 -1.663 1.00 0.00 C ATOM 1035 O PHE A 78 2.074 13.425 -2.231 1.00 0.00 O ATOM 1036 CB PHE A 78 1.933 11.565 0.204 1.00 0.00 C ATOM 1037 CG PHE A 78 0.814 10.562 0.241 1.00 0.00 C ATOM 1038 CD1 PHE A 78 -0.414 10.861 -0.325 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.988 9.326 0.840 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -1.447 9.945 -0.295 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.041 8.405 0.873 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.260 8.716 0.306 1.00 0.00 C ATOM 0 H PHE A 78 4.329 10.841 0.251 1.00 0.00 H new ATOM 0 HA PHE A 78 2.303 10.837 -1.788 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.561 11.429 1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.512 12.569 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.566 11.821 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.940 9.079 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.400 10.190 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.108 7.443 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.067 7.999 0.332 1.00 0.00 H new ATOM 1052 N ASP A 79 4.211 13.381 -1.547 1.00 0.00 N ATOM 1053 CA ASP A 79 4.517 14.696 -2.092 1.00 0.00 C ATOM 1054 C ASP A 79 4.993 14.589 -3.542 1.00 0.00 C ATOM 1055 O ASP A 79 5.320 15.595 -4.177 1.00 0.00 O ATOM 1056 CB ASP A 79 5.567 15.406 -1.232 1.00 0.00 C ATOM 1057 CG ASP A 79 6.976 14.966 -1.542 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.222 13.747 -1.651 1.00 0.00 O ATOM 1059 OD2 ASP A 79 7.855 15.841 -1.677 1.00 0.00 O ATOM 0 H ASP A 79 4.994 12.923 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 79 3.602 15.289 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.486 16.482 -1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.356 15.216 -0.180 1.00 0.00 H new ATOM 1064 N GLY A 80 5.036 13.363 -4.058 1.00 0.00 N ATOM 1065 CA GLY A 80 5.453 13.141 -5.430 1.00 0.00 C ATOM 1066 C GLY A 80 6.944 12.905 -5.575 1.00 0.00 C ATOM 1067 O GLY A 80 7.435 12.696 -6.682 1.00 0.00 O ATOM 0 H GLY A 80 4.788 12.516 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.916 12.281 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.169 14.004 -6.033 1.00 0.00 H new ATOM 1071 N THR A 81 7.671 12.930 -4.469 1.00 0.00 N ATOM 1072 CA THR A 81 9.109 12.721 -4.511 1.00 0.00 C ATOM 1073 C THR A 81 9.451 11.238 -4.401 1.00 0.00 C ATOM 1074 O THR A 81 8.765 10.481 -3.715 1.00 0.00 O ATOM 1075 CB THR A 81 9.807 13.500 -3.380 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.449 14.883 -3.462 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.324 13.361 -3.446 1.00 0.00 C ATOM 0 H THR A 81 7.291 13.092 -3.536 1.00 0.00 H new ATOM 0 HA THR A 81 9.468 13.092 -5.471 1.00 0.00 H new ATOM 0 HB THR A 81 9.475 13.080 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.196 15.209 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.777 13.925 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.597 12.310 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.684 13.748 -4.399 1.00 0.00 H new ATOM 1085 N ARG A 82 10.497 10.827 -5.102 1.00 0.00 N ATOM 1086 CA ARG A 82 10.942 9.445 -5.065 1.00 0.00 C ATOM 1087 C ARG A 82 12.185 9.340 -4.195 1.00 0.00 C ATOM 1088 O ARG A 82 13.039 10.225 -4.216 1.00 0.00 O ATOM 1089 CB ARG A 82 11.225 8.921 -6.476 1.00 0.00 C ATOM 1090 CG ARG A 82 12.309 9.685 -7.212 1.00 0.00 C ATOM 1091 CD ARG A 82 12.227 9.457 -8.710 1.00 0.00 C ATOM 1092 NE ARG A 82 13.203 10.267 -9.436 1.00 0.00 N ATOM 1093 CZ ARG A 82 13.377 10.222 -10.760 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.671 9.373 -11.500 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.258 11.028 -11.344 1.00 0.00 N ATOM 0 H ARG A 82 11.054 11.434 -5.704 1.00 0.00 H new ATOM 0 HA ARG A 82 10.150 8.830 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.514 7.872 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.305 8.963 -7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.215 10.750 -6.999 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.288 9.373 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.396 8.402 -8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.223 9.697 -9.060 1.00 0.00 H new ATOM 0 HE ARG A 82 13.788 10.907 -8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.993 8.752 -11.057 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.807 9.342 -12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.802 11.682 -10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.390 10.993 -12.355 1.00 0.00 H new ATOM 1109 N TRP A 83 12.274 8.276 -3.419 1.00 0.00 N ATOM 1110 CA TRP A 83 13.416 8.079 -2.536 1.00 0.00 C ATOM 1111 C TRP A 83 14.382 7.058 -3.125 1.00 0.00 C ATOM 1112 O TRP A 83 15.463 6.819 -2.581 1.00 0.00 O ATOM 1113 CB TRP A 83 12.939 7.630 -1.153 1.00 0.00 C ATOM 1114 CG TRP A 83 13.707 8.244 -0.024 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.585 7.613 0.809 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.661 9.610 0.404 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.086 8.500 1.727 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.537 9.733 1.499 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.966 10.741 -0.033 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.735 10.939 2.161 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.165 11.940 0.625 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.044 12.030 1.710 1.00 0.00 C ATOM 0 H TRP A 83 11.574 7.535 -3.380 1.00 0.00 H new ATOM 0 HA TRP A 83 13.944 9.027 -2.434 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.884 7.882 -1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.017 6.545 -1.086 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.847 6.567 0.753 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.759 8.277 2.461 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.286 10.679 -0.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.410 11.012 3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.634 12.821 0.297 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.180 12.982 2.202 1.00 0.00 H new ATOM 1133 N GLY A 84 13.984 6.456 -4.239 1.00 0.00 N ATOM 1134 CA GLY A 84 14.826 5.475 -4.891 1.00 0.00 C ATOM 1135 C GLY A 84 14.131 4.143 -5.041 1.00 0.00 C ATOM 1136 O GLY A 84 12.923 4.043 -4.828 1.00 0.00 O ATOM 0 H GLY A 84 13.092 6.631 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.118 5.844 -5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.742 5.343 -4.315 1.00 0.00 H new ATOM 1140 N THR A 85 14.883 3.121 -5.405 1.00 0.00 N ATOM 1141 CA THR A 85 14.325 1.795 -5.588 1.00 0.00 C ATOM 1142 C THR A 85 14.402 0.994 -4.292 1.00 0.00 C ATOM 1143 O THR A 85 15.449 0.947 -3.640 1.00 0.00 O ATOM 1144 CB THR A 85 15.070 1.046 -6.707 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.148 1.881 -7.874 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.378 -0.259 -7.068 1.00 0.00 C ATOM 0 H THR A 85 15.886 3.185 -5.580 1.00 0.00 H new ATOM 0 HA THR A 85 13.278 1.906 -5.871 1.00 0.00 H new ATOM 0 HB THR A 85 16.070 0.809 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.245 2.145 -8.148 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.934 -0.758 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.339 -0.905 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.365 -0.051 -7.411 1.00 0.00 H new ATOM 1154 N VAL A 86 13.284 0.385 -3.919 1.00 0.00 N ATOM 1155 CA VAL A 86 13.202 -0.421 -2.711 1.00 0.00 C ATOM 1156 C VAL A 86 13.280 -1.900 -3.069 1.00 0.00 C ATOM 1157 O VAL A 86 12.697 -2.336 -4.065 1.00 0.00 O ATOM 1158 CB VAL A 86 11.892 -0.158 -1.939 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.961 -0.755 -0.542 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.604 1.331 -1.864 1.00 0.00 C ATOM 0 H VAL A 86 12.411 0.436 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 86 14.040 -0.143 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 86 11.078 -0.641 -2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.027 -0.558 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.117 -1.831 -0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.789 -0.304 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.676 1.495 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.423 1.835 -1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.506 1.734 -2.872 1.00 0.00 H new ATOM 1170 N ASP A 87 13.999 -2.661 -2.261 1.00 0.00 N ATOM 1171 CA ASP A 87 14.162 -4.089 -2.492 1.00 0.00 C ATOM 1172 C ASP A 87 13.601 -4.891 -1.322 1.00 0.00 C ATOM 1173 O ASP A 87 13.804 -4.536 -0.161 1.00 0.00 O ATOM 1174 CB ASP A 87 15.645 -4.414 -2.690 1.00 0.00 C ATOM 1175 CG ASP A 87 15.926 -5.901 -2.786 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.058 -6.557 -1.732 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.037 -6.419 -3.914 1.00 0.00 O ATOM 0 H ASP A 87 14.483 -2.312 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 87 13.610 -4.363 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.999 -3.925 -3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.215 -3.996 -1.860 1.00 0.00 H new ATOM 1182 N CYS A 88 12.902 -5.971 -1.631 1.00 0.00 N ATOM 1183 CA CYS A 88 12.317 -6.826 -0.605 1.00 0.00 C ATOM 1184 C CYS A 88 12.756 -8.278 -0.790 1.00 0.00 C ATOM 1185 O CYS A 88 11.982 -9.207 -0.559 1.00 0.00 O ATOM 1186 CB CYS A 88 10.790 -6.731 -0.646 1.00 0.00 C ATOM 1187 SG CYS A 88 10.122 -5.089 -0.201 1.00 0.00 S ATOM 0 H CYS A 88 12.724 -6.279 -2.587 1.00 0.00 H new ATOM 0 HA CYS A 88 12.670 -6.482 0.367 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.449 -6.989 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.374 -7.475 0.033 1.00 0.00 H new ATOM 1192 N THR A 89 14.003 -8.472 -1.200 1.00 0.00 N ATOM 1193 CA THR A 89 14.532 -9.813 -1.421 1.00 0.00 C ATOM 1194 C THR A 89 15.151 -10.389 -0.145 1.00 0.00 C ATOM 1195 O THR A 89 15.057 -11.592 0.114 1.00 0.00 O ATOM 1196 CB THR A 89 15.584 -9.810 -2.543 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.165 -8.924 -3.584 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.774 -11.210 -3.111 1.00 0.00 C ATOM 0 H THR A 89 14.666 -7.720 -1.386 1.00 0.00 H new ATOM 0 HA THR A 89 13.693 -10.443 -1.717 1.00 0.00 H new ATOM 0 HB THR A 89 16.534 -9.474 -2.129 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.835 -8.219 -3.703 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.523 -11.183 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.107 -11.882 -2.320 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.829 -11.569 -3.518 1.00 0.00 H new ATOM 1206 N THR A 90 15.772 -9.532 0.651 1.00 0.00 N ATOM 1207 CA THR A 90 16.400 -9.965 1.891 1.00 0.00 C ATOM 1208 C THR A 90 15.646 -9.417 3.100 1.00 0.00 C ATOM 1209 O THR A 90 15.946 -9.760 4.244 1.00 0.00 O ATOM 1210 CB THR A 90 17.886 -9.530 1.951 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.506 -10.010 3.153 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.023 -8.016 1.874 1.00 0.00 C ATOM 0 H THR A 90 15.855 -8.533 0.461 1.00 0.00 H new ATOM 0 HA THR A 90 16.361 -11.054 1.915 1.00 0.00 H new ATOM 0 HB THR A 90 18.390 -9.967 1.089 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.848 -10.020 3.879 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.077 -7.743 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.595 -7.659 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.495 -7.560 2.711 1.00 0.00 H new ATOM 1220 N ALA A 91 14.661 -8.571 2.835 1.00 0.00 N ATOM 1221 CA ALA A 91 13.863 -7.970 3.892 1.00 0.00 C ATOM 1222 C ALA A 91 12.404 -8.389 3.765 1.00 0.00 C ATOM 1223 O ALA A 91 12.054 -9.196 2.898 1.00 0.00 O ATOM 1224 CB ALA A 91 13.986 -6.455 3.845 1.00 0.00 C ATOM 0 H ALA A 91 14.395 -8.285 1.893 1.00 0.00 H new ATOM 0 HA ALA A 91 14.238 -8.322 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.384 -6.016 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.029 -6.170 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.633 -6.091 2.880 1.00 0.00 H new ATOM 1230 N ALA A 92 11.562 -7.851 4.634 1.00 0.00 N ATOM 1231 CA ALA A 92 10.142 -8.156 4.612 1.00 0.00 C ATOM 1232 C ALA A 92 9.350 -6.984 4.041 1.00 0.00 C ATOM 1233 O ALA A 92 9.315 -5.898 4.626 1.00 0.00 O ATOM 1234 CB ALA A 92 9.652 -8.497 6.009 1.00 0.00 C ATOM 0 H ALA A 92 11.841 -7.198 5.366 1.00 0.00 H new ATOM 0 HA ALA A 92 9.986 -9.022 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.586 -8.723 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.195 -9.364 6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.822 -7.648 6.672 1.00 0.00 H new ATOM 1240 N CYS A 93 8.729 -7.205 2.892 1.00 0.00 N ATOM 1241 CA CYS A 93 7.930 -6.176 2.241 1.00 0.00 C ATOM 1242 C CYS A 93 6.621 -5.972 2.995 1.00 0.00 C ATOM 1243 O CYS A 93 6.276 -6.754 3.877 1.00 0.00 O ATOM 1244 CB CYS A 93 7.649 -6.568 0.788 1.00 0.00 C ATOM 1245 SG CYS A 93 8.114 -5.298 -0.437 1.00 0.00 S ATOM 0 H CYS A 93 8.763 -8.092 2.389 1.00 0.00 H new ATOM 0 HA CYS A 93 8.488 -5.240 2.249 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.187 -7.488 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.586 -6.786 0.682 1.00 0.00 H new ATOM 1250 N GLN A 94 5.894 -4.924 2.662 1.00 0.00 N ATOM 1251 CA GLN A 94 4.634 -4.648 3.326 1.00 0.00 C ATOM 1252 C GLN A 94 3.694 -3.903 2.399 1.00 0.00 C ATOM 1253 O GLN A 94 4.130 -3.294 1.427 1.00 0.00 O ATOM 1254 CB GLN A 94 4.865 -3.840 4.606 1.00 0.00 C ATOM 1255 CG GLN A 94 5.867 -2.716 4.442 1.00 0.00 C ATOM 1256 CD GLN A 94 6.142 -1.999 5.744 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.003 -2.411 6.519 1.00 0.00 O ATOM 1258 NE2 GLN A 94 5.422 -0.918 5.985 1.00 0.00 N ATOM 0 H GLN A 94 6.152 -4.252 1.939 1.00 0.00 H new ATOM 0 HA GLN A 94 4.175 -5.600 3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.915 -3.422 4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.210 -4.511 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.800 -3.118 4.047 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.492 -2.002 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.718 -0.614 5.312 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.570 -0.388 6.844 1.00 0.00 H new ATOM 1267 N VAL A 95 2.410 -3.973 2.699 1.00 0.00 N ATOM 1268 CA VAL A 95 1.398 -3.302 1.901 1.00 0.00 C ATOM 1269 C VAL A 95 0.547 -2.415 2.794 1.00 0.00 C ATOM 1270 O VAL A 95 0.043 -2.864 3.826 1.00 0.00 O ATOM 1271 CB VAL A 95 0.487 -4.310 1.159 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.593 -3.585 0.365 1.00 0.00 C ATOM 1273 CG2 VAL A 95 1.310 -5.207 0.243 1.00 0.00 C ATOM 0 H VAL A 95 2.040 -4.492 3.496 1.00 0.00 H new ATOM 0 HA VAL A 95 1.913 -2.700 1.152 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.001 -4.935 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.220 -4.315 -0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.207 -2.992 1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.126 -2.929 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.650 -5.908 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.831 -4.595 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.039 -5.761 0.835 1.00 0.00 H new ATOM 1283 N GLY A 96 0.401 -1.160 2.411 1.00 0.00 N ATOM 1284 CA GLY A 96 -0.387 -0.244 3.196 1.00 0.00 C ATOM 1285 C GLY A 96 -1.208 0.671 2.326 1.00 0.00 C ATOM 1286 O GLY A 96 -0.998 0.735 1.112 1.00 0.00 O ATOM 0 H GLY A 96 0.815 -0.760 1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.046 -0.806 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.270 0.350 3.831 1.00 0.00 H new ATOM 1290 N LEU A 97 -2.141 1.374 2.940 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.004 2.291 2.222 1.00 0.00 C ATOM 1292 C LEU A 97 -3.244 3.542 3.051 1.00 0.00 C ATOM 1293 O LEU A 97 -3.301 3.483 4.282 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.341 1.624 1.867 1.00 0.00 C ATOM 1295 CG LEU A 97 -5.257 1.277 3.048 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -6.702 1.202 2.582 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.845 -0.042 3.688 1.00 0.00 C ATOM 0 H LEU A 97 -2.321 1.326 3.943 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.507 2.571 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.886 2.285 1.193 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.131 0.708 1.315 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.162 2.064 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -7.345 0.955 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.001 2.165 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.798 0.432 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.510 -0.265 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.910 -0.841 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.820 0.034 4.051 1.00 0.00 H new ATOM 1309 N SER A 98 -3.353 4.668 2.377 1.00 0.00 N ATOM 1310 CA SER A 98 -3.590 5.935 3.040 1.00 0.00 C ATOM 1311 C SER A 98 -4.427 6.849 2.158 1.00 0.00 C ATOM 1312 O SER A 98 -4.384 6.752 0.929 1.00 0.00 O ATOM 1313 CB SER A 98 -2.263 6.607 3.390 1.00 0.00 C ATOM 1314 OG SER A 98 -1.549 5.849 4.356 1.00 0.00 O ATOM 0 H SER A 98 -3.281 4.732 1.362 1.00 0.00 H new ATOM 0 HA SER A 98 -4.140 5.745 3.962 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.658 6.718 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.449 7.610 3.774 1.00 0.00 H new ATOM 0 HG SER A 98 -0.886 6.421 4.796 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.199 7.717 2.795 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.052 8.658 2.087 1.00 0.00 C ATOM 1322 C ASP A 99 -5.229 9.832 1.569 1.00 0.00 C ATOM 1323 O ASP A 99 -4.005 9.830 1.679 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.163 9.168 3.015 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.703 10.300 3.921 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.745 10.104 4.700 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.293 11.399 3.840 1.00 0.00 O ATOM 0 H ASP A 99 -5.251 7.788 3.811 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.506 8.145 1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.004 9.510 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.525 8.343 3.628 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.910 10.833 1.018 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.248 12.021 0.491 1.00 0.00 C ATOM 1334 C ALA A 100 -4.384 12.693 1.558 1.00 0.00 C ATOM 1335 O ALA A 100 -3.308 13.214 1.258 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.277 13.002 -0.048 1.00 0.00 C ATOM 0 H ALA A 100 -6.926 10.844 0.925 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.595 11.709 -0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.769 13.884 -0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.847 12.528 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.953 13.298 0.754 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.856 12.680 2.802 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.113 13.278 3.898 1.00 0.00 C ATOM 1344 C ALA A 101 -2.914 12.407 4.259 1.00 0.00 C ATOM 1345 O ALA A 101 -1.781 12.891 4.343 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.017 13.478 5.103 1.00 0.00 C ATOM 0 H ALA A 101 -5.747 12.263 3.072 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.746 14.254 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.446 13.927 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.843 14.136 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.412 12.515 5.426 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.162 11.119 4.451 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.090 10.207 4.785 1.00 0.00 C ATOM 1354 C GLY A 102 -2.426 9.304 5.953 1.00 0.00 C ATOM 1355 O GLY A 102 -1.532 8.801 6.631 1.00 0.00 O ATOM 0 H GLY A 102 -4.085 10.691 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.857 9.594 3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.193 10.780 5.021 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.712 9.082 6.185 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.145 8.230 7.286 1.00 0.00 C ATOM 1361 C ASN A 103 -4.981 7.068 6.766 1.00 0.00 C ATOM 1362 O ASN A 103 -5.326 7.025 5.583 1.00 0.00 O ATOM 1363 CB ASN A 103 -4.942 9.034 8.317 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.073 10.005 9.088 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.389 9.621 10.034 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.094 11.269 8.690 1.00 0.00 N ATOM 0 H ASN A 103 -4.471 9.477 5.630 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.255 7.831 7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.735 9.584 7.811 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.424 8.349 9.015 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.528 11.966 9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.676 11.545 7.899 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.298 6.126 7.647 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.088 4.979 7.252 1.00 0.00 C ATOM 1375 C GLY A 104 -5.728 3.741 8.049 1.00 0.00 C ATOM 1376 O GLY A 104 -5.070 3.846 9.086 1.00 0.00 O ATOM 0 H GLY A 104 -5.021 6.138 8.629 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.146 5.203 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.938 4.783 6.190 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.153 2.555 7.591 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.859 1.286 8.268 1.00 0.00 C ATOM 1382 C PRO A 105 -4.359 1.024 8.367 1.00 0.00 C ATOM 1383 O PRO A 105 -3.584 1.482 7.524 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.522 0.232 7.377 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.531 0.982 6.579 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.961 2.357 6.381 1.00 0.00 C ATOM 0 HA PRO A 105 -6.226 1.281 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.791 -0.255 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.992 -0.550 7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.713 0.493 5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.487 1.027 7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.355 2.417 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.744 3.110 6.291 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.961 0.288 9.399 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.558 -0.036 9.619 1.00 0.00 C ATOM 1396 C GLU A 106 -2.026 -0.938 8.509 1.00 0.00 C ATOM 1397 O GLU A 106 -2.727 -1.834 8.033 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.381 -0.725 10.971 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.120 -0.309 11.711 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.794 -1.231 12.866 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.374 -1.052 13.958 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.039 -2.139 12.690 1.00 0.00 O ATOM 0 H GLU A 106 -4.595 -0.097 10.099 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.991 0.895 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.247 -0.506 11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.362 -1.804 10.819 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.282 -0.295 11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.241 0.708 12.085 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.789 -0.687 8.101 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.173 -1.482 7.060 1.00 0.00 C ATOM 1411 C GLY A 107 0.232 -2.850 7.562 1.00 0.00 C ATOM 1412 O GLY A 107 0.639 -2.997 8.717 1.00 0.00 O ATOM 0 H GLY A 107 -0.200 0.057 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.868 -1.592 6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.704 -0.961 6.676 1.00 0.00 H new ATOM 1416 N VAL A 108 0.127 -3.849 6.700 1.00 0.00 N ATOM 1417 CA VAL A 108 0.473 -5.211 7.071 1.00 0.00 C ATOM 1418 C VAL A 108 1.750 -5.651 6.366 1.00 0.00 C ATOM 1419 O VAL A 108 1.906 -5.444 5.159 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.668 -6.193 6.726 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.363 -7.590 7.242 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.990 -5.699 7.291 1.00 0.00 C ATOM 0 H VAL A 108 -0.195 -3.742 5.738 1.00 0.00 H new ATOM 0 HA VAL A 108 0.632 -5.225 8.149 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.749 -6.242 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.183 -8.260 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.558 -7.953 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.245 -7.560 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.781 -6.405 7.037 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.914 -5.615 8.375 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.225 -4.723 6.867 1.00 0.00 H new ATOM 1432 N ALA A 109 2.661 -6.247 7.124 1.00 0.00 N ATOM 1433 CA ALA A 109 3.918 -6.716 6.570 1.00 0.00 C ATOM 1434 C ALA A 109 3.777 -8.141 6.047 1.00 0.00 C ATOM 1435 O ALA A 109 3.092 -8.974 6.648 1.00 0.00 O ATOM 1436 CB ALA A 109 5.032 -6.625 7.607 1.00 0.00 C ATOM 0 H ALA A 109 2.550 -6.416 8.124 1.00 0.00 H new ATOM 0 HA ALA A 109 4.184 -6.072 5.732 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.965 -6.981 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.152 -5.589 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.777 -7.240 8.470 1.00 0.00 H new ATOM 1442 N ILE A 110 4.421 -8.409 4.926 1.00 0.00 N ATOM 1443 CA ILE A 110 4.378 -9.720 4.300 1.00 0.00 C ATOM 1444 C ILE A 110 5.798 -10.248 4.108 1.00 0.00 C ATOM 1445 O ILE A 110 6.769 -9.530 4.346 1.00 0.00 O ATOM 1446 CB ILE A 110 3.652 -9.678 2.936 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.331 -8.681 1.994 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.183 -9.311 3.127 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.899 -8.816 0.552 1.00 0.00 C ATOM 0 H ILE A 110 4.988 -7.726 4.424 1.00 0.00 H new ATOM 0 HA ILE A 110 3.820 -10.385 4.958 1.00 0.00 H new ATOM 0 HB ILE A 110 3.708 -10.669 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.116 -7.668 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.411 -8.815 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.685 -9.285 2.158 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.702 -10.055 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.111 -8.330 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.422 -8.077 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.139 -9.817 0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.824 -8.652 0.477 1.00 0.00 H new ATOM 1461 N SER A 111 5.920 -11.496 3.701 1.00 0.00 N ATOM 1462 CA SER A 111 7.224 -12.101 3.480 1.00 0.00 C ATOM 1463 C SER A 111 7.129 -13.190 2.426 1.00 0.00 C ATOM 1464 O SER A 111 6.143 -13.925 2.372 1.00 0.00 O ATOM 1465 CB SER A 111 7.771 -12.680 4.788 1.00 0.00 C ATOM 1466 OG SER A 111 7.982 -11.656 5.747 1.00 0.00 O ATOM 0 H SER A 111 5.131 -12.115 3.515 1.00 0.00 H new ATOM 0 HA SER A 111 7.908 -11.330 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.072 -13.416 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.708 -13.202 4.595 1.00 0.00 H new ATOM 0 HG SER A 111 8.330 -12.049 6.574 1.00 0.00 H new ATOM 1472 N PHE A 112 8.154 -13.283 1.593 1.00 0.00 N ATOM 1473 CA PHE A 112 8.193 -14.282 0.536 1.00 0.00 C ATOM 1474 C PHE A 112 8.780 -15.582 1.070 1.00 0.00 C ATOM 1475 O PHE A 112 9.517 -15.579 2.061 1.00 0.00 O ATOM 1476 CB PHE A 112 9.021 -13.773 -0.649 1.00 0.00 C ATOM 1477 CG PHE A 112 8.602 -12.419 -1.158 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.273 -12.137 -1.420 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.545 -11.429 -1.377 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.892 -10.894 -1.892 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.172 -10.185 -1.847 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.844 -9.917 -2.105 1.00 0.00 C ATOM 0 H PHE A 112 8.973 -12.676 1.629 1.00 0.00 H new ATOM 0 HA PHE A 112 7.176 -14.469 0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.069 -13.729 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.949 -14.493 -1.464 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.524 -12.897 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.587 -11.632 -1.178 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.851 -10.688 -2.094 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.919 -9.423 -2.012 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.549 -8.945 -2.473 1.00 0.00 H new ATOM 1492 N ASN A 113 8.444 -16.692 0.427 1.00 0.00 N ATOM 1493 CA ASN A 113 8.946 -17.993 0.848 1.00 0.00 C ATOM 1494 C ASN A 113 10.348 -18.228 0.303 1.00 0.00 C ATOM 1495 O ASN A 113 11.148 -18.892 0.993 1.00 0.00 O ATOM 1496 CB ASN A 113 8.014 -19.125 0.405 1.00 0.00 C ATOM 1497 CG ASN A 113 7.831 -19.199 -1.098 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.677 -19.728 -1.820 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.701 -18.704 -1.574 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.653 -17.725 -0.796 1.00 0.00 O ATOM 0 H ASN A 113 7.828 -16.718 -0.386 1.00 0.00 H new ATOM 0 HA ASN A 113 8.983 -17.993 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.412 -20.075 0.763 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.040 -18.990 0.876 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.504 -18.752 -2.574 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.026 -18.274 -0.942 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 3.078 6.416 4.189 1.00 20.00 O HETATM 1509 C8A FLN A 114 3.575 7.646 3.783 1.00 20.00 C HETATM 1510 C4A FLN A 114 4.091 7.850 2.492 1.00 20.00 C HETATM 1511 C4 FLN A 114 4.099 6.704 1.536 1.00 20.00 C HETATM 1512 C3 FLN A 114 3.557 5.437 2.035 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.081 5.338 3.307 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.483 4.170 4.048 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.120 4.151 4.353 1.00 20.00 C HETATM 1516 C3' FLN A 114 0.576 3.069 5.047 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.340 1.966 5.455 1.00 20.00 C HETATM 1518 C5' FLN A 114 2.700 2.024 5.128 1.00 20.00 C HETATM 1519 C6' FLN A 114 3.270 3.093 4.439 1.00 20.00 C HETATM 1520 O4 FLN A 114 4.541 6.829 0.385 1.00 20.00 O HETATM 1521 C5 FLN A 114 4.586 9.131 2.142 1.00 20.00 C HETATM 1522 C6 FLN A 114 4.552 10.173 3.085 1.00 20.00 C HETATM 1523 C7 FLN A 114 4.026 9.929 4.372 1.00 20.00 C HETATM 1524 C8 FLN A 114 3.539 8.671 4.723 1.00 20.00 C HETATM 0 H8 FLN A 114 3.136 8.493 5.720 1.00 20.00 H new HETATM 0 H7 FLN A 114 4.000 10.737 5.103 1.00 20.00 H new HETATM 0 H6' FLN A 114 4.335 3.085 4.206 1.00 20.00 H new HETATM 0 H6 FLN A 114 4.929 11.162 2.824 1.00 20.00 H new HETATM 0 H5' FLN A 114 3.342 1.195 5.426 1.00 20.00 H new HETATM 0 H5 FLN A 114 4.991 9.308 1.146 1.00 20.00 H new HETATM 0 H4' FLN A 114 0.905 1.122 5.990 1.00 20.00 H new HETATM 0 H3' FLN A 114 -0.488 3.082 5.282 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.535 4.565 1.381 1.00 20.00 H new HETATM 0 H2' FLN A 114 0.482 4.981 4.049 1.00 20.00 H new