USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 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= 0.233! C(o=-1.8!,f=-8.6!) USER MOD Set 1.2: A 48 ASN : amide:sc= -2.01! C(o=-1.8!,f=-4.1!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.86 USER MOD Set 2.2: A 113 ASN : amide:sc= 0.691 X(o=1.6,f=1.4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 49:sc= 0.807 USER MOD Single : A 8 THR OG1 : rot -160:sc= -0.0459 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0839 USER MOD Single : A 11 SER OG : rot 180:sc= -0.219 USER MOD Single : A 17 THR OG1 : rot 114:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.72) USER MOD Single : A 30 THR OG1 : rot -62:sc= 1.23 USER MOD Single : A 32 TYR OH : rot 130:sc= -0.583 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00276 USER MOD Single : A 54 SER OG : rot -104:sc= 1.25 USER MOD Single : A 56 THR OG1 : rot 24:sc= 1.14 USER MOD Single : A 60 ASN : amide:sc= 1.12 K(o=1.1,f=-0.17) USER MOD Single : A 62 SER OG : rot 60:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.000677 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 101:sc= 0.919 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 99:sc= 1.04 USER MOD Single : A 90 THR OG1 : rot -46:sc= 0.403 USER MOD Single : A 94 GLN : amide:sc= 0.22 X(o=0.22,f=-0.00011) USER MOD Single : A 98 SER OG : rot -160:sc= -0.0796 USER MOD Single : A 103 ASN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.626 5.089 16.043 1.00 0.00 N ATOM 2 CA ALA A 1 -17.060 3.823 15.417 1.00 0.00 C ATOM 3 C ALA A 1 -15.861 3.089 14.836 1.00 0.00 C ATOM 4 O ALA A 1 -15.074 3.667 14.087 1.00 0.00 O ATOM 5 CB ALA A 1 -18.094 4.095 14.336 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.452 5.583 16.437 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.949 4.885 16.805 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.171 5.692 15.328 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.518 3.193 16.179 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.404 3.153 13.884 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.960 4.588 14.777 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.660 4.739 13.571 1.00 0.00 H new ATOM 11 N ALA A 2 -15.715 1.822 15.194 1.00 0.00 N ATOM 12 CA ALA A 2 -14.603 1.016 14.713 1.00 0.00 C ATOM 13 C ALA A 2 -14.884 0.423 13.334 1.00 0.00 C ATOM 14 O ALA A 2 -15.871 -0.295 13.146 1.00 0.00 O ATOM 15 CB ALA A 2 -14.295 -0.093 15.705 1.00 0.00 C ATOM 0 H ALA A 2 -16.354 1.329 15.817 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.737 1.671 14.620 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.461 -0.690 15.336 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.030 0.343 16.668 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.172 -0.729 15.824 1.00 0.00 H new ATOM 21 N PRO A 3 -14.027 0.726 12.348 1.00 0.00 N ATOM 22 CA PRO A 3 -14.168 0.206 10.990 1.00 0.00 C ATOM 23 C PRO A 3 -13.640 -1.224 10.871 1.00 0.00 C ATOM 24 O PRO A 3 -13.087 -1.775 11.827 1.00 0.00 O ATOM 25 CB PRO A 3 -13.317 1.170 10.162 1.00 0.00 C ATOM 26 CG PRO A 3 -12.252 1.633 11.098 1.00 0.00 C ATOM 27 CD PRO A 3 -12.859 1.620 12.478 1.00 0.00 C ATOM 0 HA PRO A 3 -15.208 0.153 10.667 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.890 0.673 9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.911 2.006 9.793 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.382 0.978 11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.912 2.634 10.833 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.153 1.248 13.221 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.156 2.621 12.793 1.00 0.00 H new ATOM 35 N THR A 4 -13.804 -1.819 9.703 1.00 0.00 N ATOM 36 CA THR A 4 -13.353 -3.180 9.475 1.00 0.00 C ATOM 37 C THR A 4 -12.256 -3.223 8.409 1.00 0.00 C ATOM 38 O THR A 4 -12.513 -2.973 7.233 1.00 0.00 O ATOM 39 CB THR A 4 -14.523 -4.075 9.034 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.744 -3.613 9.631 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.276 -5.522 9.435 1.00 0.00 C ATOM 0 H THR A 4 -14.247 -1.380 8.896 1.00 0.00 H new ATOM 0 HA THR A 4 -12.949 -3.553 10.416 1.00 0.00 H new ATOM 0 HB THR A 4 -14.605 -4.022 7.948 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.485 -4.186 9.345 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.116 -6.137 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.362 -5.880 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.173 -5.587 10.518 1.00 0.00 H new ATOM 49 N ALA A 5 -11.037 -3.525 8.828 1.00 0.00 N ATOM 50 CA ALA A 5 -9.914 -3.597 7.904 1.00 0.00 C ATOM 51 C ALA A 5 -9.607 -5.047 7.540 1.00 0.00 C ATOM 52 O ALA A 5 -8.672 -5.648 8.072 1.00 0.00 O ATOM 53 CB ALA A 5 -8.686 -2.929 8.508 1.00 0.00 C ATOM 0 H ALA A 5 -10.799 -3.724 9.800 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.186 -3.066 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.855 -2.991 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.907 -1.882 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.416 -3.435 9.435 1.00 0.00 H new ATOM 59 N THR A 6 -10.406 -5.610 6.644 1.00 0.00 N ATOM 60 CA THR A 6 -10.220 -6.990 6.215 1.00 0.00 C ATOM 61 C THR A 6 -9.201 -7.082 5.077 1.00 0.00 C ATOM 62 O THR A 6 -9.554 -7.030 3.895 1.00 0.00 O ATOM 63 CB THR A 6 -11.556 -7.610 5.765 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.403 -6.597 5.200 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.266 -8.275 6.933 1.00 0.00 C ATOM 0 H THR A 6 -11.190 -5.132 6.200 1.00 0.00 H new ATOM 0 HA THR A 6 -9.840 -7.549 7.070 1.00 0.00 H new ATOM 0 HB THR A 6 -11.342 -8.368 5.011 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.894 -6.070 4.549 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.207 -8.705 6.590 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.634 -9.064 7.342 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.467 -7.534 7.706 1.00 0.00 H new ATOM 73 N VAL A 7 -7.933 -7.215 5.438 1.00 0.00 N ATOM 74 CA VAL A 7 -6.866 -7.302 4.450 1.00 0.00 C ATOM 75 C VAL A 7 -6.292 -8.712 4.383 1.00 0.00 C ATOM 76 O VAL A 7 -6.239 -9.419 5.391 1.00 0.00 O ATOM 77 CB VAL A 7 -5.727 -6.299 4.745 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.223 -4.870 4.594 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.142 -6.519 6.135 1.00 0.00 C ATOM 0 H VAL A 7 -7.617 -7.265 6.407 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.310 -7.049 3.487 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.933 -6.471 4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.408 -4.178 4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.577 -4.713 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.040 -4.693 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.344 -5.798 6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.923 -6.386 6.884 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.740 -7.530 6.205 1.00 0.00 H new ATOM 89 N THR A 8 -5.869 -9.114 3.191 1.00 0.00 N ATOM 90 CA THR A 8 -5.291 -10.437 2.988 1.00 0.00 C ATOM 91 C THR A 8 -3.788 -10.332 2.734 1.00 0.00 C ATOM 92 O THR A 8 -3.364 -9.915 1.658 1.00 0.00 O ATOM 93 CB THR A 8 -5.963 -11.160 1.805 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.374 -10.895 1.820 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.719 -12.662 1.874 1.00 0.00 C ATOM 0 H THR A 8 -5.915 -8.541 2.348 1.00 0.00 H new ATOM 0 HA THR A 8 -5.463 -11.016 3.895 1.00 0.00 H new ATOM 0 HB THR A 8 -5.528 -10.786 0.878 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.841 -11.577 1.293 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.204 -13.149 1.028 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.647 -12.858 1.840 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.131 -13.055 2.803 1.00 0.00 H new ATOM 103 N PRO A 9 -2.964 -10.679 3.736 1.00 0.00 N ATOM 104 CA PRO A 9 -1.503 -10.614 3.617 1.00 0.00 C ATOM 105 C PRO A 9 -0.932 -11.731 2.746 1.00 0.00 C ATOM 106 O PRO A 9 -1.435 -12.856 2.743 1.00 0.00 O ATOM 107 CB PRO A 9 -1.024 -10.765 5.062 1.00 0.00 C ATOM 108 CG PRO A 9 -2.098 -11.550 5.734 1.00 0.00 C ATOM 109 CD PRO A 9 -3.390 -11.160 5.063 1.00 0.00 C ATOM 0 HA PRO A 9 -1.177 -9.691 3.137 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.066 -11.282 5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.886 -9.794 5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.917 -12.620 5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.132 -11.329 6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.071 -12.007 4.982 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.913 -10.383 5.621 1.00 0.00 H new ATOM 117 N SER A 10 0.123 -11.411 2.011 1.00 0.00 N ATOM 118 CA SER A 10 0.778 -12.368 1.135 1.00 0.00 C ATOM 119 C SER A 10 1.954 -13.050 1.839 1.00 0.00 C ATOM 120 O SER A 10 2.928 -13.456 1.200 1.00 0.00 O ATOM 121 CB SER A 10 1.255 -11.639 -0.119 1.00 0.00 C ATOM 122 OG SER A 10 1.407 -10.251 0.140 1.00 0.00 O ATOM 0 H SER A 10 0.547 -10.483 2.006 1.00 0.00 H new ATOM 0 HA SER A 10 0.067 -13.148 0.862 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.204 -12.059 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.539 -11.788 -0.928 1.00 0.00 H new ATOM 0 HG SER A 10 1.715 -9.798 -0.673 1.00 0.00 H new ATOM 128 N SER A 11 1.855 -13.173 3.157 1.00 0.00 N ATOM 129 CA SER A 11 2.896 -13.797 3.960 1.00 0.00 C ATOM 130 C SER A 11 3.075 -15.266 3.583 1.00 0.00 C ATOM 131 O SER A 11 2.118 -16.044 3.582 1.00 0.00 O ATOM 132 CB SER A 11 2.544 -13.666 5.443 1.00 0.00 C ATOM 133 OG SER A 11 1.987 -12.389 5.719 1.00 0.00 O ATOM 0 H SER A 11 1.054 -12.844 3.696 1.00 0.00 H new ATOM 0 HA SER A 11 3.840 -13.287 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.835 -14.445 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.438 -13.816 6.048 1.00 0.00 H new ATOM 0 HG SER A 11 1.768 -12.327 6.672 1.00 0.00 H new ATOM 139 N GLY A 12 4.299 -15.627 3.228 1.00 0.00 N ATOM 140 CA GLY A 12 4.595 -16.995 2.861 1.00 0.00 C ATOM 141 C GLY A 12 4.500 -17.228 1.367 1.00 0.00 C ATOM 142 O GLY A 12 4.784 -18.322 0.888 1.00 0.00 O ATOM 0 H GLY A 12 5.096 -14.992 3.188 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.598 -17.250 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.904 -17.663 3.374 1.00 0.00 H new ATOM 146 N LEU A 13 4.113 -16.199 0.629 1.00 0.00 N ATOM 147 CA LEU A 13 3.967 -16.309 -0.815 1.00 0.00 C ATOM 148 C LEU A 13 5.135 -15.639 -1.534 1.00 0.00 C ATOM 149 O LEU A 13 5.976 -15.005 -0.901 1.00 0.00 O ATOM 150 CB LEU A 13 2.630 -15.702 -1.243 1.00 0.00 C ATOM 151 CG LEU A 13 1.401 -16.351 -0.599 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.156 -15.525 -0.860 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.212 -17.768 -1.116 1.00 0.00 C ATOM 0 H LEU A 13 3.894 -15.277 1.006 1.00 0.00 H new ATOM 0 HA LEU A 13 3.977 -17.363 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.633 -14.640 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.540 -15.780 -2.326 1.00 0.00 H new ATOM 0 HG LEU A 13 1.566 -16.393 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.704 -16.005 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.287 -14.528 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.011 -15.448 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.334 -18.212 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.074 -17.745 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.093 -18.364 -0.875 1.00 0.00 H new ATOM 165 N SER A 14 5.196 -15.802 -2.850 1.00 0.00 N ATOM 166 CA SER A 14 6.275 -15.229 -3.647 1.00 0.00 C ATOM 167 C SER A 14 5.876 -13.870 -4.222 1.00 0.00 C ATOM 168 O SER A 14 4.877 -13.275 -3.808 1.00 0.00 O ATOM 169 CB SER A 14 6.643 -16.194 -4.777 1.00 0.00 C ATOM 170 OG SER A 14 6.544 -17.542 -4.346 1.00 0.00 O ATOM 0 H SER A 14 4.509 -16.328 -3.390 1.00 0.00 H new ATOM 0 HA SER A 14 7.140 -15.076 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.983 -16.031 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.658 -15.991 -5.118 1.00 0.00 H new ATOM 0 HG SER A 14 6.782 -18.140 -5.085 1.00 0.00 H new ATOM 176 N ASP A 15 6.666 -13.375 -5.166 1.00 0.00 N ATOM 177 CA ASP A 15 6.387 -12.096 -5.801 1.00 0.00 C ATOM 178 C ASP A 15 5.336 -12.275 -6.887 1.00 0.00 C ATOM 179 O ASP A 15 5.179 -13.364 -7.441 1.00 0.00 O ATOM 180 CB ASP A 15 7.665 -11.479 -6.388 1.00 0.00 C ATOM 181 CG ASP A 15 8.228 -12.274 -7.551 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.716 -13.401 -7.326 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.204 -11.769 -8.692 1.00 0.00 O ATOM 0 H ASP A 15 7.506 -13.841 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 15 6.004 -11.412 -5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.452 -10.463 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.420 -11.407 -5.605 1.00 0.00 H new ATOM 188 N GLY A 16 4.604 -11.210 -7.170 1.00 0.00 N ATOM 189 CA GLY A 16 3.565 -11.267 -8.176 1.00 0.00 C ATOM 190 C GLY A 16 2.238 -11.686 -7.580 1.00 0.00 C ATOM 191 O GLY A 16 1.259 -11.892 -8.297 1.00 0.00 O ATOM 0 H GLY A 16 4.712 -10.302 -6.718 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.461 -10.290 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.852 -11.970 -8.958 1.00 0.00 H new ATOM 195 N THR A 17 2.211 -11.804 -6.258 1.00 0.00 N ATOM 196 CA THR A 17 1.009 -12.202 -5.545 1.00 0.00 C ATOM 197 C THR A 17 -0.021 -11.078 -5.540 1.00 0.00 C ATOM 198 O THR A 17 0.326 -9.902 -5.400 1.00 0.00 O ATOM 199 CB THR A 17 1.336 -12.603 -4.091 1.00 0.00 C ATOM 200 OG1 THR A 17 2.310 -13.657 -4.086 1.00 0.00 O ATOM 201 CG2 THR A 17 0.088 -13.059 -3.345 1.00 0.00 C ATOM 0 H THR A 17 3.016 -11.628 -5.657 1.00 0.00 H new ATOM 0 HA THR A 17 0.592 -13.064 -6.066 1.00 0.00 H new ATOM 0 HB THR A 17 1.735 -11.726 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.145 -13.329 -3.692 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.354 -13.334 -2.324 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.640 -12.248 -3.324 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.344 -13.922 -3.852 1.00 0.00 H new ATOM 209 N VAL A 18 -1.279 -11.448 -5.715 1.00 0.00 N ATOM 210 CA VAL A 18 -2.370 -10.491 -5.715 1.00 0.00 C ATOM 211 C VAL A 18 -2.834 -10.221 -4.283 1.00 0.00 C ATOM 212 O VAL A 18 -3.504 -11.054 -3.671 1.00 0.00 O ATOM 213 CB VAL A 18 -3.562 -11.007 -6.548 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.577 -9.902 -6.770 1.00 0.00 C ATOM 215 CG2 VAL A 18 -3.086 -11.583 -7.876 1.00 0.00 C ATOM 0 H VAL A 18 -1.570 -12.415 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.004 -9.567 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.048 -11.807 -5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.410 -10.286 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.946 -9.548 -5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.105 -9.076 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.944 -11.940 -8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.570 -10.809 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.404 -12.412 -7.689 1.00 0.00 H new ATOM 225 N VAL A 19 -2.456 -9.072 -3.744 1.00 0.00 N ATOM 226 CA VAL A 19 -2.838 -8.703 -2.386 1.00 0.00 C ATOM 227 C VAL A 19 -4.238 -8.101 -2.375 1.00 0.00 C ATOM 228 O VAL A 19 -4.498 -7.106 -3.051 1.00 0.00 O ATOM 229 CB VAL A 19 -1.844 -7.697 -1.765 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.136 -7.485 -0.289 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.407 -8.161 -1.965 1.00 0.00 C ATOM 0 H VAL A 19 -1.885 -8.377 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.823 -9.613 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.970 -6.743 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.422 -6.773 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.147 -7.096 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.048 -8.434 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.275 -7.437 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.268 -9.131 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.198 -8.248 -3.031 1.00 0.00 H new ATOM 241 N LYS A 20 -5.132 -8.710 -1.609 1.00 0.00 N ATOM 242 CA LYS A 20 -6.507 -8.240 -1.521 1.00 0.00 C ATOM 243 C LYS A 20 -6.685 -7.293 -0.337 1.00 0.00 C ATOM 244 O LYS A 20 -6.545 -7.694 0.822 1.00 0.00 O ATOM 245 CB LYS A 20 -7.468 -9.430 -1.394 1.00 0.00 C ATOM 246 CG LYS A 20 -8.935 -9.029 -1.302 1.00 0.00 C ATOM 247 CD LYS A 20 -9.822 -10.219 -0.954 1.00 0.00 C ATOM 248 CE LYS A 20 -10.002 -11.150 -2.140 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.627 -12.439 -1.748 1.00 0.00 N ATOM 0 H LYS A 20 -4.929 -9.531 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.738 -7.693 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.334 -10.087 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.202 -10.007 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.054 -8.253 -0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.256 -8.601 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.383 -10.770 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.796 -9.862 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.621 -10.662 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.033 -11.343 -2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.731 -13.044 -2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.025 -12.918 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.563 -12.259 -1.333 1.00 0.00 H new ATOM 263 N VAL A 21 -6.987 -6.039 -0.637 1.00 0.00 N ATOM 264 CA VAL A 21 -7.199 -5.029 0.390 1.00 0.00 C ATOM 265 C VAL A 21 -8.658 -4.589 0.385 1.00 0.00 C ATOM 266 O VAL A 21 -9.098 -3.876 -0.520 1.00 0.00 O ATOM 267 CB VAL A 21 -6.284 -3.799 0.175 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.441 -2.796 1.312 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.832 -4.236 0.037 1.00 0.00 C ATOM 0 H VAL A 21 -7.092 -5.694 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.948 -5.472 1.354 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.586 -3.306 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.787 -1.942 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.476 -2.457 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.172 -3.271 2.256 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.201 -3.360 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.521 -4.756 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.733 -4.906 -0.817 1.00 0.00 H new ATOM 279 N ALA A 22 -9.413 -5.041 1.377 1.00 0.00 N ATOM 280 CA ALA A 22 -10.822 -4.696 1.481 1.00 0.00 C ATOM 281 C ALA A 22 -11.110 -3.951 2.776 1.00 0.00 C ATOM 282 O ALA A 22 -10.993 -4.510 3.870 1.00 0.00 O ATOM 283 CB ALA A 22 -11.681 -5.948 1.388 1.00 0.00 C ATOM 0 H ALA A 22 -9.071 -5.648 2.122 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.071 -4.036 0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.733 -5.674 1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.505 -6.440 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.421 -6.629 2.199 1.00 0.00 H new ATOM 289 N GLY A 23 -11.485 -2.692 2.647 1.00 0.00 N ATOM 290 CA GLY A 23 -11.788 -1.883 3.804 1.00 0.00 C ATOM 291 C GLY A 23 -13.266 -1.580 3.913 1.00 0.00 C ATOM 292 O GLY A 23 -13.908 -1.219 2.923 1.00 0.00 O ATOM 0 H GLY A 23 -11.586 -2.212 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.457 -2.400 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.230 -0.949 3.749 1.00 0.00 H new ATOM 296 N ALA A 24 -13.804 -1.739 5.112 1.00 0.00 N ATOM 297 CA ALA A 24 -15.209 -1.479 5.372 1.00 0.00 C ATOM 298 C ALA A 24 -15.352 -0.453 6.487 1.00 0.00 C ATOM 299 O ALA A 24 -14.513 -0.389 7.390 1.00 0.00 O ATOM 300 CB ALA A 24 -15.925 -2.766 5.737 1.00 0.00 C ATOM 0 H ALA A 24 -13.280 -2.051 5.929 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.666 -1.077 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.977 -2.555 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.841 -3.475 4.913 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.472 -3.194 6.631 1.00 0.00 H new ATOM 306 N GLY A 25 -16.413 0.339 6.429 1.00 0.00 N ATOM 307 CA GLY A 25 -16.626 1.357 7.436 1.00 0.00 C ATOM 308 C GLY A 25 -15.750 2.565 7.184 1.00 0.00 C ATOM 309 O GLY A 25 -15.303 3.232 8.118 1.00 0.00 O ATOM 0 H GLY A 25 -17.129 0.295 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.674 1.658 7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.411 0.947 8.423 1.00 0.00 H new ATOM 313 N LEU A 26 -15.506 2.839 5.908 1.00 0.00 N ATOM 314 CA LEU A 26 -14.672 3.960 5.502 1.00 0.00 C ATOM 315 C LEU A 26 -15.527 5.188 5.216 1.00 0.00 C ATOM 316 O LEU A 26 -16.730 5.193 5.489 1.00 0.00 O ATOM 317 CB LEU A 26 -13.870 3.594 4.252 1.00 0.00 C ATOM 318 CG LEU A 26 -13.029 2.324 4.360 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.438 1.969 3.006 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.924 2.497 5.392 1.00 0.00 C ATOM 0 H LEU A 26 -15.879 2.293 5.131 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.986 4.189 6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.562 3.481 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.210 4.426 4.008 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.675 1.509 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.841 1.062 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.243 1.804 2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.806 2.787 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.337 1.581 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.277 3.324 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.365 2.711 6.365 1.00 0.00 H new ATOM 332 N GLN A 27 -14.909 6.226 4.664 1.00 0.00 N ATOM 333 CA GLN A 27 -15.626 7.449 4.338 1.00 0.00 C ATOM 334 C GLN A 27 -16.017 7.446 2.865 1.00 0.00 C ATOM 335 O GLN A 27 -15.174 7.641 1.985 1.00 0.00 O ATOM 336 CB GLN A 27 -14.769 8.676 4.660 1.00 0.00 C ATOM 337 CG GLN A 27 -15.586 9.909 5.017 1.00 0.00 C ATOM 338 CD GLN A 27 -16.488 9.685 6.218 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.153 8.926 7.130 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.640 10.337 6.222 1.00 0.00 N ATOM 0 H GLN A 27 -13.915 6.243 4.434 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.531 7.496 4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.104 8.437 5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.138 8.904 3.801 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.911 10.740 5.224 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.194 10.198 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.878 10.956 5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.289 10.221 7.000 1.00 0.00 H new ATOM 349 N ALA A 28 -17.295 7.208 2.610 1.00 0.00 N ATOM 350 CA ALA A 28 -17.821 7.163 1.250 1.00 0.00 C ATOM 351 C ALA A 28 -17.498 8.438 0.479 1.00 0.00 C ATOM 352 O ALA A 28 -17.589 9.544 1.018 1.00 0.00 O ATOM 353 CB ALA A 28 -19.324 6.938 1.284 1.00 0.00 C ATOM 0 H ALA A 28 -17.994 7.041 3.334 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.341 6.333 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.710 6.905 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.539 5.994 1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.802 7.753 1.827 1.00 0.00 H new ATOM 359 N GLY A 29 -17.084 8.275 -0.771 1.00 0.00 N ATOM 360 CA GLY A 29 -16.772 9.423 -1.598 1.00 0.00 C ATOM 361 C GLY A 29 -15.289 9.742 -1.672 1.00 0.00 C ATOM 362 O GLY A 29 -14.830 10.315 -2.658 1.00 0.00 O ATOM 0 H GLY A 29 -16.959 7.370 -1.226 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.146 9.245 -2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.302 10.293 -1.210 1.00 0.00 H new ATOM 366 N THR A 30 -14.530 9.384 -0.643 1.00 0.00 N ATOM 367 CA THR A 30 -13.100 9.672 -0.640 1.00 0.00 C ATOM 368 C THR A 30 -12.314 8.581 -1.363 1.00 0.00 C ATOM 369 O THR A 30 -12.827 7.479 -1.592 1.00 0.00 O ATOM 370 CB THR A 30 -12.547 9.857 0.789 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.743 8.665 1.565 1.00 0.00 O ATOM 372 CG2 THR A 30 -13.222 11.032 1.477 1.00 0.00 C ATOM 0 H THR A 30 -14.873 8.902 0.188 1.00 0.00 H new ATOM 0 HA THR A 30 -12.973 10.613 -1.175 1.00 0.00 H new ATOM 0 HB THR A 30 -11.478 10.058 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.702 8.480 1.644 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.818 11.145 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.037 11.943 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.295 10.852 1.535 1.00 0.00 H new ATOM 380 N ALA A 31 -11.080 8.894 -1.734 1.00 0.00 N ATOM 381 CA ALA A 31 -10.227 7.951 -2.441 1.00 0.00 C ATOM 382 C ALA A 31 -9.066 7.493 -1.569 1.00 0.00 C ATOM 383 O ALA A 31 -8.468 8.289 -0.842 1.00 0.00 O ATOM 384 CB ALA A 31 -9.707 8.574 -3.727 1.00 0.00 C ATOM 0 H ALA A 31 -10.646 9.800 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.827 7.075 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.070 7.858 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.547 8.843 -4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.130 9.468 -3.491 1.00 0.00 H new ATOM 390 N TYR A 32 -8.757 6.208 -1.646 1.00 0.00 N ATOM 391 CA TYR A 32 -7.667 5.629 -0.878 1.00 0.00 C ATOM 392 C TYR A 32 -6.598 5.084 -1.819 1.00 0.00 C ATOM 393 O TYR A 32 -6.911 4.376 -2.778 1.00 0.00 O ATOM 394 CB TYR A 32 -8.190 4.508 0.026 1.00 0.00 C ATOM 395 CG TYR A 32 -9.200 4.970 1.056 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.556 5.034 0.753 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.795 5.343 2.332 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.476 5.461 1.693 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.711 5.771 3.277 1.00 0.00 C ATOM 400 CZ TYR A 32 -11.050 5.828 2.953 1.00 0.00 C ATOM 401 OH TYR A 32 -11.964 6.260 3.889 1.00 0.00 O ATOM 0 H TYR A 32 -9.251 5.541 -2.239 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.228 6.406 -0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.646 3.737 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.347 4.046 0.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.895 4.746 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.747 5.298 2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.525 5.507 1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.379 6.059 4.263 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.830 5.771 4.728 1.00 0.00 H new ATOM 411 N ASP A 33 -5.346 5.417 -1.544 1.00 0.00 N ATOM 412 CA ASP A 33 -4.232 4.966 -2.369 1.00 0.00 C ATOM 413 C ASP A 33 -3.526 3.804 -1.689 1.00 0.00 C ATOM 414 O ASP A 33 -3.154 3.895 -0.513 1.00 0.00 O ATOM 415 CB ASP A 33 -3.248 6.115 -2.612 1.00 0.00 C ATOM 416 CG ASP A 33 -2.618 6.060 -3.990 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.338 6.298 -4.985 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.398 5.807 -4.086 1.00 0.00 O ATOM 0 H ASP A 33 -5.074 6.000 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.618 4.633 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.768 7.065 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.463 6.083 -1.856 1.00 0.00 H new ATOM 423 N VAL A 34 -3.362 2.704 -2.412 1.00 0.00 N ATOM 424 CA VAL A 34 -2.719 1.518 -1.855 1.00 0.00 C ATOM 425 C VAL A 34 -1.607 1.004 -2.765 1.00 0.00 C ATOM 426 O VAL A 34 -1.783 0.908 -3.982 1.00 0.00 O ATOM 427 CB VAL A 34 -3.739 0.375 -1.625 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.115 -0.750 -0.806 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.002 0.898 -0.950 1.00 0.00 C ATOM 0 H VAL A 34 -3.663 2.607 -3.382 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.292 1.820 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.019 -0.027 -2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.849 -1.542 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.252 -1.151 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.797 -0.362 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.702 0.076 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.744 1.336 0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.464 1.657 -1.581 1.00 0.00 H new ATOM 439 N GLY A 35 -0.460 0.694 -2.169 1.00 0.00 N ATOM 440 CA GLY A 35 0.658 0.163 -2.921 1.00 0.00 C ATOM 441 C GLY A 35 1.614 -0.586 -2.018 1.00 0.00 C ATOM 442 O GLY A 35 1.429 -0.607 -0.801 1.00 0.00 O ATOM 0 H GLY A 35 -0.286 0.803 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.292 -0.504 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.185 0.977 -3.419 1.00 0.00 H new ATOM 446 N GLN A 36 2.621 -1.221 -2.595 1.00 0.00 N ATOM 447 CA GLN A 36 3.599 -1.943 -1.798 1.00 0.00 C ATOM 448 C GLN A 36 4.682 -0.970 -1.359 1.00 0.00 C ATOM 449 O GLN A 36 5.326 -0.333 -2.190 1.00 0.00 O ATOM 450 CB GLN A 36 4.204 -3.118 -2.576 1.00 0.00 C ATOM 451 CG GLN A 36 4.755 -2.745 -3.942 1.00 0.00 C ATOM 452 CD GLN A 36 5.522 -3.876 -4.596 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.491 -4.033 -5.815 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.232 -4.660 -3.797 1.00 0.00 N ATOM 0 H GLN A 36 2.782 -1.252 -3.602 1.00 0.00 H new ATOM 0 HA GLN A 36 3.104 -2.365 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.005 -3.558 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.441 -3.886 -2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.932 -2.447 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.410 -1.880 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.231 -4.497 -2.790 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.779 -5.427 -4.189 1.00 0.00 H new ATOM 463 N CYS A 37 4.858 -0.835 -0.061 1.00 0.00 N ATOM 464 CA CYS A 37 5.840 0.085 0.473 1.00 0.00 C ATOM 465 C CYS A 37 6.879 -0.652 1.302 1.00 0.00 C ATOM 466 O CYS A 37 6.543 -1.401 2.217 1.00 0.00 O ATOM 467 CB CYS A 37 5.133 1.151 1.310 1.00 0.00 C ATOM 468 SG CYS A 37 3.459 1.552 0.706 1.00 0.00 S ATOM 0 H CYS A 37 4.333 -1.352 0.645 1.00 0.00 H new ATOM 0 HA CYS A 37 6.362 0.568 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.066 0.807 2.342 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.737 2.058 1.315 1.00 0.00 H new ATOM 473 N ALA A 38 8.140 -0.447 0.971 1.00 0.00 N ATOM 474 CA ALA A 38 9.226 -1.096 1.682 1.00 0.00 C ATOM 475 C ALA A 38 10.004 -0.079 2.497 1.00 0.00 C ATOM 476 O ALA A 38 9.834 1.129 2.316 1.00 0.00 O ATOM 477 CB ALA A 38 10.150 -1.803 0.704 1.00 0.00 C ATOM 0 H ALA A 38 8.438 0.166 0.212 1.00 0.00 H new ATOM 0 HA ALA A 38 8.803 -1.837 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.960 -2.285 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.588 -2.555 0.151 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.566 -1.076 0.007 1.00 0.00 H new ATOM 483 N TRP A 39 10.844 -0.574 3.393 1.00 0.00 N ATOM 484 CA TRP A 39 11.665 0.287 4.232 1.00 0.00 C ATOM 485 C TRP A 39 12.739 0.960 3.383 1.00 0.00 C ATOM 486 O TRP A 39 13.705 0.315 2.969 1.00 0.00 O ATOM 487 CB TRP A 39 12.315 -0.530 5.351 1.00 0.00 C ATOM 488 CG TRP A 39 11.998 -0.036 6.730 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.763 0.261 7.231 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.929 0.203 7.790 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.872 0.674 8.537 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.191 0.646 8.903 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.318 0.087 7.907 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.793 0.970 10.117 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.915 0.410 9.113 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.152 0.846 10.203 1.00 0.00 C ATOM 0 H TRP A 39 10.976 -1.572 3.559 1.00 0.00 H new ATOM 0 HA TRP A 39 11.033 1.053 4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.991 -1.567 5.265 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.396 -0.521 5.213 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.837 0.183 6.681 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.096 0.956 9.136 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.914 -0.249 7.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.207 1.307 10.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.987 0.324 9.215 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.647 1.090 11.131 1.00 0.00 H new ATOM 507 N VAL A 40 12.569 2.247 3.118 1.00 0.00 N ATOM 508 CA VAL A 40 13.523 2.984 2.302 1.00 0.00 C ATOM 509 C VAL A 40 14.602 3.615 3.178 1.00 0.00 C ATOM 510 O VAL A 40 15.698 3.928 2.711 1.00 0.00 O ATOM 511 CB VAL A 40 12.813 4.060 1.441 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.389 5.261 2.273 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.695 4.485 0.279 1.00 0.00 C ATOM 0 H VAL A 40 11.782 2.801 3.455 1.00 0.00 H new ATOM 0 HA VAL A 40 14.000 2.278 1.622 1.00 0.00 H new ATOM 0 HB VAL A 40 11.905 3.612 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.895 5.992 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.700 4.938 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.268 5.715 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.178 5.241 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.627 4.900 0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.913 3.620 -0.348 1.00 0.00 H new ATOM 523 N ASP A 41 14.286 3.777 4.456 1.00 0.00 N ATOM 524 CA ASP A 41 15.218 4.349 5.417 1.00 0.00 C ATOM 525 C ASP A 41 14.756 4.007 6.823 1.00 0.00 C ATOM 526 O ASP A 41 13.693 3.411 6.999 1.00 0.00 O ATOM 527 CB ASP A 41 15.320 5.869 5.257 1.00 0.00 C ATOM 528 CG ASP A 41 16.692 6.409 5.633 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.096 6.272 6.807 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.373 6.973 4.756 1.00 0.00 O ATOM 0 H ASP A 41 13.383 3.518 4.853 1.00 0.00 H new ATOM 0 HA ASP A 41 16.207 3.927 5.236 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.099 6.137 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.563 6.347 5.879 1.00 0.00 H new ATOM 535 N THR A 42 15.540 4.391 7.815 1.00 0.00 N ATOM 536 CA THR A 42 15.213 4.119 9.204 1.00 0.00 C ATOM 537 C THR A 42 14.006 4.946 9.649 1.00 0.00 C ATOM 538 O THR A 42 14.138 6.114 10.019 1.00 0.00 O ATOM 539 CB THR A 42 16.425 4.411 10.119 1.00 0.00 C ATOM 540 OG1 THR A 42 17.609 3.821 9.553 1.00 0.00 O ATOM 541 CG2 THR A 42 16.203 3.864 11.527 1.00 0.00 C ATOM 0 H THR A 42 16.416 4.897 7.682 1.00 0.00 H new ATOM 0 HA THR A 42 14.960 3.062 9.289 1.00 0.00 H new ATOM 0 HB THR A 42 16.545 5.492 10.190 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.377 4.008 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.073 4.086 12.145 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.320 4.330 11.963 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.057 2.785 11.479 1.00 0.00 H new ATOM 549 N GLY A 43 12.826 4.336 9.580 1.00 0.00 N ATOM 550 CA GLY A 43 11.608 5.019 9.972 1.00 0.00 C ATOM 551 C GLY A 43 10.884 5.622 8.788 1.00 0.00 C ATOM 552 O GLY A 43 9.870 6.301 8.946 1.00 0.00 O ATOM 0 H GLY A 43 12.693 3.377 9.258 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.947 4.317 10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.849 5.805 10.687 1.00 0.00 H new ATOM 556 N VAL A 44 11.402 5.365 7.592 1.00 0.00 N ATOM 557 CA VAL A 44 10.803 5.892 6.374 1.00 0.00 C ATOM 558 C VAL A 44 10.526 4.770 5.382 1.00 0.00 C ATOM 559 O VAL A 44 11.365 3.893 5.165 1.00 0.00 O ATOM 560 CB VAL A 44 11.711 6.945 5.695 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.956 7.683 4.600 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.264 7.925 6.718 1.00 0.00 C ATOM 0 H VAL A 44 12.235 4.795 7.441 1.00 0.00 H new ATOM 0 HA VAL A 44 9.868 6.371 6.665 1.00 0.00 H new ATOM 0 HB VAL A 44 12.551 6.421 5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.614 8.418 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.620 6.971 3.846 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.093 8.190 5.031 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.899 8.655 6.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.440 8.440 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.850 7.384 7.461 1.00 0.00 H new ATOM 572 N LEU A 45 9.345 4.801 4.788 1.00 0.00 N ATOM 573 CA LEU A 45 8.951 3.799 3.810 1.00 0.00 C ATOM 574 C LEU A 45 8.662 4.472 2.480 1.00 0.00 C ATOM 575 O LEU A 45 8.685 5.698 2.386 1.00 0.00 O ATOM 576 CB LEU A 45 7.720 3.021 4.284 1.00 0.00 C ATOM 577 CG LEU A 45 7.945 2.128 5.504 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.369 2.771 6.754 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.329 0.759 5.279 1.00 0.00 C ATOM 0 H LEU A 45 8.638 5.514 4.967 1.00 0.00 H new ATOM 0 HA LEU A 45 9.771 3.091 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.927 3.732 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.362 2.402 3.461 1.00 0.00 H new ATOM 0 HG LEU A 45 9.019 2.006 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.540 2.119 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.855 3.731 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.298 2.925 6.623 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.498 0.135 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.257 0.865 5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.789 0.292 4.408 1.00 0.00 H new ATOM 591 N ALA A 46 8.414 3.674 1.454 1.00 0.00 N ATOM 592 CA ALA A 46 8.121 4.198 0.131 1.00 0.00 C ATOM 593 C ALA A 46 7.433 3.141 -0.724 1.00 0.00 C ATOM 594 O ALA A 46 7.853 1.984 -0.741 1.00 0.00 O ATOM 595 CB ALA A 46 9.402 4.675 -0.536 1.00 0.00 C ATOM 0 H ALA A 46 8.410 2.656 1.513 1.00 0.00 H new ATOM 0 HA ALA A 46 7.443 5.046 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.172 5.066 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.856 5.461 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.097 3.840 -0.627 1.00 0.00 H new ATOM 601 N CYS A 47 6.371 3.535 -1.418 1.00 0.00 N ATOM 602 CA CYS A 47 5.624 2.610 -2.267 1.00 0.00 C ATOM 603 C CYS A 47 5.940 2.853 -3.732 1.00 0.00 C ATOM 604 O CYS A 47 6.552 3.863 -4.078 1.00 0.00 O ATOM 605 CB CYS A 47 4.121 2.756 -2.028 1.00 0.00 C ATOM 606 SG CYS A 47 3.690 3.280 -0.339 1.00 0.00 S ATOM 0 H CYS A 47 6.007 4.488 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 47 5.925 1.595 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.719 3.481 -2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.636 1.803 -2.237 1.00 0.00 H new ATOM 611 N ASN A 48 5.519 1.932 -4.588 1.00 0.00 N ATOM 612 CA ASN A 48 5.772 2.049 -6.018 1.00 0.00 C ATOM 613 C ASN A 48 4.593 2.670 -6.755 1.00 0.00 C ATOM 614 O ASN A 48 3.439 2.305 -6.535 1.00 0.00 O ATOM 615 CB ASN A 48 6.108 0.682 -6.627 1.00 0.00 C ATOM 616 CG ASN A 48 4.949 -0.306 -6.630 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.076 -0.279 -5.763 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.953 -1.206 -7.603 1.00 0.00 N ATOM 0 H ASN A 48 5.001 1.096 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 48 6.629 2.712 -6.136 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.448 0.828 -7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.940 0.246 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.215 -1.908 -7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.694 -1.196 -8.304 1.00 0.00 H new ATOM 625 N PRO A 49 4.872 3.637 -7.638 1.00 0.00 N ATOM 626 CA PRO A 49 3.851 4.312 -8.432 1.00 0.00 C ATOM 627 C PRO A 49 3.612 3.600 -9.760 1.00 0.00 C ATOM 628 O PRO A 49 3.130 4.194 -10.726 1.00 0.00 O ATOM 629 CB PRO A 49 4.485 5.673 -8.668 1.00 0.00 C ATOM 630 CG PRO A 49 5.935 5.368 -8.817 1.00 0.00 C ATOM 631 CD PRO A 49 6.215 4.179 -7.924 1.00 0.00 C ATOM 0 HA PRO A 49 2.877 4.346 -7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.083 6.152 -9.561 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.302 6.350 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.179 5.141 -9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.544 6.224 -8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.847 3.443 -8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.731 4.476 -7.011 1.00 0.00 H new ATOM 639 N ALA A 50 3.953 2.319 -9.792 1.00 0.00 N ATOM 640 CA ALA A 50 3.797 1.512 -10.988 1.00 0.00 C ATOM 641 C ALA A 50 2.616 0.561 -10.859 1.00 0.00 C ATOM 642 O ALA A 50 1.663 0.636 -11.630 1.00 0.00 O ATOM 643 CB ALA A 50 5.075 0.734 -11.271 1.00 0.00 C ATOM 0 H ALA A 50 4.342 1.816 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 50 3.600 2.183 -11.824 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.943 0.133 -12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.900 1.431 -11.417 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.297 0.080 -10.428 1.00 0.00 H new ATOM 649 N ASP A 51 2.672 -0.319 -9.869 1.00 0.00 N ATOM 650 CA ASP A 51 1.610 -1.297 -9.662 1.00 0.00 C ATOM 651 C ASP A 51 0.655 -0.856 -8.567 1.00 0.00 C ATOM 652 O ASP A 51 -0.079 -1.671 -8.010 1.00 0.00 O ATOM 653 CB ASP A 51 2.201 -2.663 -9.312 1.00 0.00 C ATOM 654 CG ASP A 51 2.934 -3.301 -10.474 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.271 -3.759 -11.428 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.179 -3.357 -10.433 1.00 0.00 O ATOM 0 H ASP A 51 3.438 -0.377 -9.198 1.00 0.00 H new ATOM 0 HA ASP A 51 1.050 -1.375 -10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.887 -2.552 -8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.401 -3.327 -8.985 1.00 0.00 H new ATOM 661 N PHE A 52 0.659 0.432 -8.259 1.00 0.00 N ATOM 662 CA PHE A 52 -0.222 0.964 -7.230 1.00 0.00 C ATOM 663 C PHE A 52 -1.642 1.078 -7.775 1.00 0.00 C ATOM 664 O PHE A 52 -1.851 1.088 -8.991 1.00 0.00 O ATOM 665 CB PHE A 52 0.271 2.335 -6.742 1.00 0.00 C ATOM 666 CG PHE A 52 -0.158 3.485 -7.609 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.438 3.704 -8.839 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.162 4.344 -7.193 1.00 0.00 C ATOM 669 CE1 PHE A 52 0.043 4.761 -9.636 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.560 5.400 -7.986 1.00 0.00 C ATOM 671 CZ PHE A 52 -0.957 5.609 -9.209 1.00 0.00 C ATOM 0 H PHE A 52 1.260 1.126 -8.704 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.217 0.280 -6.381 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.095 2.501 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.360 2.320 -6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.220 3.041 -9.179 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.638 4.185 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.517 4.923 -10.593 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.343 6.063 -7.650 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.268 6.435 -9.831 1.00 0.00 H new ATOM 681 N SER A 53 -2.618 1.139 -6.887 1.00 0.00 N ATOM 682 CA SER A 53 -4.005 1.259 -7.301 1.00 0.00 C ATOM 683 C SER A 53 -4.801 2.092 -6.306 1.00 0.00 C ATOM 684 O SER A 53 -4.792 1.823 -5.104 1.00 0.00 O ATOM 685 CB SER A 53 -4.634 -0.125 -7.463 1.00 0.00 C ATOM 686 OG SER A 53 -3.928 -0.884 -8.430 1.00 0.00 O ATOM 0 H SER A 53 -2.477 1.108 -5.877 1.00 0.00 H new ATOM 0 HA SER A 53 -4.029 1.769 -8.264 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.627 -0.648 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.677 -0.024 -7.763 1.00 0.00 H new ATOM 0 HG SER A 53 -4.343 -1.767 -8.520 1.00 0.00 H new ATOM 692 N SER A 54 -5.462 3.119 -6.814 1.00 0.00 N ATOM 693 CA SER A 54 -6.273 3.990 -5.989 1.00 0.00 C ATOM 694 C SER A 54 -7.726 3.555 -6.076 1.00 0.00 C ATOM 695 O SER A 54 -8.273 3.415 -7.171 1.00 0.00 O ATOM 696 CB SER A 54 -6.121 5.435 -6.456 1.00 0.00 C ATOM 697 OG SER A 54 -4.868 5.620 -7.094 1.00 0.00 O ATOM 0 H SER A 54 -5.450 3.369 -7.803 1.00 0.00 H new ATOM 0 HA SER A 54 -5.943 3.924 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.927 5.688 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.206 6.110 -5.604 1.00 0.00 H new ATOM 0 HG SER A 54 -4.262 6.101 -6.492 1.00 0.00 H new ATOM 703 N VAL A 55 -8.343 3.324 -4.934 1.00 0.00 N ATOM 704 CA VAL A 55 -9.728 2.894 -4.898 1.00 0.00 C ATOM 705 C VAL A 55 -10.569 3.868 -4.084 1.00 0.00 C ATOM 706 O VAL A 55 -10.180 4.285 -2.993 1.00 0.00 O ATOM 707 CB VAL A 55 -9.856 1.459 -4.328 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.274 1.362 -2.923 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.305 0.998 -4.346 1.00 0.00 C ATOM 0 H VAL A 55 -7.907 3.427 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.101 2.882 -5.922 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.277 0.796 -4.971 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.381 0.342 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.218 1.630 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.806 2.045 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.371 -0.012 -3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.909 1.672 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.676 1.003 -5.371 1.00 0.00 H new ATOM 719 N THR A 56 -11.702 4.270 -4.632 1.00 0.00 N ATOM 720 CA THR A 56 -12.579 5.188 -3.940 1.00 0.00 C ATOM 721 C THR A 56 -13.683 4.416 -3.220 1.00 0.00 C ATOM 722 O THR A 56 -14.183 3.406 -3.722 1.00 0.00 O ATOM 723 CB THR A 56 -13.181 6.238 -4.910 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.849 7.279 -4.176 1.00 0.00 O ATOM 725 CG2 THR A 56 -14.157 5.604 -5.894 1.00 0.00 C ATOM 0 H THR A 56 -12.033 3.975 -5.551 1.00 0.00 H new ATOM 0 HA THR A 56 -11.989 5.730 -3.200 1.00 0.00 H new ATOM 0 HB THR A 56 -12.353 6.665 -5.476 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.477 7.332 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.557 6.372 -6.556 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.639 4.849 -6.485 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.975 5.137 -5.345 1.00 0.00 H new ATOM 733 N ALA A 57 -14.024 4.864 -2.020 1.00 0.00 N ATOM 734 CA ALA A 57 -15.065 4.216 -1.240 1.00 0.00 C ATOM 735 C ALA A 57 -16.412 4.397 -1.919 1.00 0.00 C ATOM 736 O ALA A 57 -16.759 5.504 -2.342 1.00 0.00 O ATOM 737 CB ALA A 57 -15.094 4.769 0.176 1.00 0.00 C ATOM 0 H ALA A 57 -13.595 5.672 -1.568 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.848 3.150 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.880 4.272 0.745 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.131 4.592 0.656 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.292 5.840 0.144 1.00 0.00 H new ATOM 743 N ASP A 58 -17.155 3.307 -2.032 1.00 0.00 N ATOM 744 CA ASP A 58 -18.465 3.331 -2.672 1.00 0.00 C ATOM 745 C ASP A 58 -19.496 3.997 -1.761 1.00 0.00 C ATOM 746 O ASP A 58 -19.162 4.439 -0.662 1.00 0.00 O ATOM 747 CB ASP A 58 -18.903 1.905 -3.039 1.00 0.00 C ATOM 748 CG ASP A 58 -19.640 1.200 -1.919 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.991 0.781 -0.942 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.876 1.059 -2.021 1.00 0.00 O ATOM 0 H ASP A 58 -16.873 2.389 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.395 3.917 -3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.545 1.944 -3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.024 1.321 -3.311 1.00 0.00 H new ATOM 755 N ALA A 59 -20.744 4.051 -2.216 1.00 0.00 N ATOM 756 CA ALA A 59 -21.824 4.673 -1.455 1.00 0.00 C ATOM 757 C ALA A 59 -22.019 4.017 -0.085 1.00 0.00 C ATOM 758 O ALA A 59 -22.519 4.650 0.844 1.00 0.00 O ATOM 759 CB ALA A 59 -23.121 4.621 -2.251 1.00 0.00 C ATOM 0 H ALA A 59 -21.035 3.668 -3.116 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.544 5.712 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.920 5.087 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.992 5.156 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.380 3.582 -2.457 1.00 0.00 H new ATOM 765 N ASN A 60 -21.634 2.752 0.032 1.00 0.00 N ATOM 766 CA ASN A 60 -21.762 2.025 1.296 1.00 0.00 C ATOM 767 C ASN A 60 -20.588 2.329 2.217 1.00 0.00 C ATOM 768 O ASN A 60 -20.641 2.063 3.419 1.00 0.00 O ATOM 769 CB ASN A 60 -21.827 0.516 1.049 1.00 0.00 C ATOM 770 CG ASN A 60 -23.116 0.083 0.380 1.00 0.00 C ATOM 771 OD1 ASN A 60 -24.062 -0.341 1.043 1.00 0.00 O ATOM 772 ND2 ASN A 60 -23.158 0.174 -0.940 1.00 0.00 N ATOM 0 H ASN A 60 -21.231 2.206 -0.730 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.686 2.353 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.983 0.218 0.427 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.723 -0.007 1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.997 -0.113 -1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.352 0.531 -1.452 1.00 0.00 H new ATOM 779 N GLY A 61 -19.534 2.899 1.652 1.00 0.00 N ATOM 780 CA GLY A 61 -18.357 3.220 2.430 1.00 0.00 C ATOM 781 C GLY A 61 -17.376 2.067 2.462 1.00 0.00 C ATOM 782 O GLY A 61 -16.622 1.908 3.424 1.00 0.00 O ATOM 0 H GLY A 61 -19.474 3.146 0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.871 4.100 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.652 3.475 3.448 1.00 0.00 H new ATOM 786 N SER A 62 -17.388 1.259 1.410 1.00 0.00 N ATOM 787 CA SER A 62 -16.500 0.111 1.311 1.00 0.00 C ATOM 788 C SER A 62 -15.612 0.224 0.071 1.00 0.00 C ATOM 789 O SER A 62 -15.987 0.858 -0.920 1.00 0.00 O ATOM 790 CB SER A 62 -17.326 -1.180 1.262 1.00 0.00 C ATOM 791 OG SER A 62 -18.708 -0.892 1.093 1.00 0.00 O ATOM 0 H SER A 62 -18.008 1.380 0.609 1.00 0.00 H new ATOM 0 HA SER A 62 -15.855 0.087 2.190 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.978 -1.808 0.442 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.178 -1.746 2.182 1.00 0.00 H new ATOM 0 HG SER A 62 -18.840 -0.405 0.253 1.00 0.00 H new ATOM 797 N ALA A 63 -14.436 -0.381 0.134 1.00 0.00 N ATOM 798 CA ALA A 63 -13.504 -0.351 -0.980 1.00 0.00 C ATOM 799 C ALA A 63 -12.626 -1.595 -0.986 1.00 0.00 C ATOM 800 O ALA A 63 -12.059 -1.966 0.040 1.00 0.00 O ATOM 801 CB ALA A 63 -12.643 0.904 -0.921 1.00 0.00 C ATOM 0 H ALA A 63 -14.105 -0.900 0.947 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.081 -0.335 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.951 0.910 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.282 1.786 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.080 0.915 0.012 1.00 0.00 H new ATOM 807 N SER A 64 -12.535 -2.247 -2.137 1.00 0.00 N ATOM 808 CA SER A 64 -11.723 -3.448 -2.273 1.00 0.00 C ATOM 809 C SER A 64 -10.866 -3.365 -3.527 1.00 0.00 C ATOM 810 O SER A 64 -11.383 -3.194 -4.633 1.00 0.00 O ATOM 811 CB SER A 64 -12.615 -4.687 -2.328 1.00 0.00 C ATOM 812 OG SER A 64 -13.762 -4.527 -1.508 1.00 0.00 O ATOM 0 H SER A 64 -13.015 -1.964 -2.991 1.00 0.00 H new ATOM 0 HA SER A 64 -11.069 -3.525 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.923 -4.872 -3.357 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.050 -5.560 -2.002 1.00 0.00 H new ATOM 0 HG SER A 64 -14.318 -5.333 -1.562 1.00 0.00 H new ATOM 818 N THR A 65 -9.561 -3.477 -3.351 1.00 0.00 N ATOM 819 CA THR A 65 -8.638 -3.410 -4.467 1.00 0.00 C ATOM 820 C THR A 65 -7.582 -4.509 -4.362 1.00 0.00 C ATOM 821 O THR A 65 -7.373 -5.085 -3.288 1.00 0.00 O ATOM 822 CB THR A 65 -7.965 -2.017 -4.546 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.220 -1.887 -5.763 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.049 -1.775 -3.351 1.00 0.00 C ATOM 0 H THR A 65 -9.117 -3.615 -2.443 1.00 0.00 H new ATOM 0 HA THR A 65 -9.207 -3.566 -5.384 1.00 0.00 H new ATOM 0 HB THR A 65 -8.756 -1.268 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.803 -1.001 -5.798 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.592 -0.789 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.630 -1.827 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.269 -2.536 -3.331 1.00 0.00 H new ATOM 832 N SER A 66 -6.939 -4.805 -5.482 1.00 0.00 N ATOM 833 CA SER A 66 -5.910 -5.830 -5.534 1.00 0.00 C ATOM 834 C SER A 66 -4.588 -5.231 -6.007 1.00 0.00 C ATOM 835 O SER A 66 -4.546 -4.526 -7.017 1.00 0.00 O ATOM 836 CB SER A 66 -6.345 -6.953 -6.472 1.00 0.00 C ATOM 837 OG SER A 66 -7.645 -7.422 -6.141 1.00 0.00 O ATOM 0 H SER A 66 -7.115 -4.344 -6.375 1.00 0.00 H new ATOM 0 HA SER A 66 -5.767 -6.238 -4.533 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.335 -6.595 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.633 -7.776 -6.414 1.00 0.00 H new ATOM 0 HG SER A 66 -7.901 -8.140 -6.758 1.00 0.00 H new ATOM 843 N LEU A 67 -3.516 -5.512 -5.276 1.00 0.00 N ATOM 844 CA LEU A 67 -2.195 -4.984 -5.613 1.00 0.00 C ATOM 845 C LEU A 67 -1.218 -6.101 -5.958 1.00 0.00 C ATOM 846 O LEU A 67 -1.220 -7.160 -5.326 1.00 0.00 O ATOM 847 CB LEU A 67 -1.627 -4.161 -4.445 1.00 0.00 C ATOM 848 CG LEU A 67 -2.206 -2.750 -4.272 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.177 -1.988 -5.585 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.617 -2.812 -3.713 1.00 0.00 C ATOM 0 H LEU A 67 -3.533 -6.103 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.318 -4.344 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.792 -4.716 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.548 -4.076 -4.577 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.582 -2.213 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.592 -0.991 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.148 -1.904 -5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.770 -2.521 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.008 -1.801 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.255 -3.372 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.602 -3.307 -2.742 1.00 0.00 H new ATOM 862 N THR A 68 -0.384 -5.859 -6.960 1.00 0.00 N ATOM 863 CA THR A 68 0.615 -6.830 -7.368 1.00 0.00 C ATOM 864 C THR A 68 1.927 -6.549 -6.647 1.00 0.00 C ATOM 865 O THR A 68 2.646 -5.615 -6.998 1.00 0.00 O ATOM 866 CB THR A 68 0.861 -6.790 -8.892 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.380 -6.613 -9.588 1.00 0.00 O ATOM 868 CG2 THR A 68 1.534 -8.070 -9.358 1.00 0.00 C ATOM 0 H THR A 68 -0.382 -4.996 -7.504 1.00 0.00 H new ATOM 0 HA THR A 68 0.241 -7.820 -7.106 1.00 0.00 H new ATOM 0 HB THR A 68 1.518 -5.949 -9.112 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.213 -6.587 -10.553 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.699 -8.023 -10.434 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.491 -8.184 -8.849 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.895 -8.922 -9.126 1.00 0.00 H new ATOM 876 N VAL A 69 2.229 -7.343 -5.630 1.00 0.00 N ATOM 877 CA VAL A 69 3.457 -7.149 -4.870 1.00 0.00 C ATOM 878 C VAL A 69 4.670 -7.693 -5.628 1.00 0.00 C ATOM 879 O VAL A 69 4.830 -8.904 -5.799 1.00 0.00 O ATOM 880 CB VAL A 69 3.372 -7.792 -3.460 1.00 0.00 C ATOM 881 CG1 VAL A 69 2.958 -9.259 -3.538 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.693 -7.636 -2.714 1.00 0.00 C ATOM 0 H VAL A 69 1.648 -8.120 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 69 3.582 -6.074 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 69 2.600 -7.264 -2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.909 -9.677 -2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.979 -9.336 -4.012 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.690 -9.813 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.610 -8.094 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.488 -8.126 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.926 -6.577 -2.604 1.00 0.00 H new ATOM 892 N ARG A 70 5.503 -6.783 -6.106 1.00 0.00 N ATOM 893 CA ARG A 70 6.709 -7.146 -6.833 1.00 0.00 C ATOM 894 C ARG A 70 7.855 -7.352 -5.850 1.00 0.00 C ATOM 895 O ARG A 70 7.718 -7.047 -4.663 1.00 0.00 O ATOM 896 CB ARG A 70 7.073 -6.053 -7.840 1.00 0.00 C ATOM 897 CG ARG A 70 5.903 -5.594 -8.695 1.00 0.00 C ATOM 898 CD ARG A 70 5.620 -6.553 -9.843 1.00 0.00 C ATOM 899 NE ARG A 70 4.613 -6.013 -10.755 1.00 0.00 N ATOM 900 CZ ARG A 70 4.138 -6.649 -11.828 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.618 -7.836 -12.171 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.194 -6.082 -12.569 1.00 0.00 N ATOM 0 H ARG A 70 5.364 -5.778 -6.002 1.00 0.00 H new ATOM 0 HA ARG A 70 6.529 -8.073 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.476 -5.195 -7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.865 -6.421 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.013 -5.503 -8.072 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.115 -4.603 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.542 -6.748 -10.391 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.277 -7.508 -9.445 1.00 0.00 H new ATOM 0 HE ARG A 70 4.247 -5.082 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.355 -8.269 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.251 -8.317 -12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.833 -5.162 -12.318 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.830 -6.567 -13.389 1.00 0.00 H new ATOM 916 N ARG A 71 8.981 -7.855 -6.335 1.00 0.00 N ATOM 917 CA ARG A 71 10.135 -8.090 -5.473 1.00 0.00 C ATOM 918 C ARG A 71 11.036 -6.859 -5.436 1.00 0.00 C ATOM 919 O ARG A 71 11.782 -6.647 -4.479 1.00 0.00 O ATOM 920 CB ARG A 71 10.922 -9.310 -5.956 1.00 0.00 C ATOM 921 CG ARG A 71 11.715 -10.000 -4.855 1.00 0.00 C ATOM 922 CD ARG A 71 10.873 -11.011 -4.088 1.00 0.00 C ATOM 923 NE ARG A 71 10.549 -12.186 -4.899 1.00 0.00 N ATOM 924 CZ ARG A 71 10.462 -13.430 -4.424 1.00 0.00 C ATOM 925 NH1 ARG A 71 10.732 -13.693 -3.152 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.126 -14.420 -5.235 1.00 0.00 N ATOM 0 H ARG A 71 9.122 -8.107 -7.313 1.00 0.00 H new ATOM 0 HA ARG A 71 9.775 -8.285 -4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.230 -10.027 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.607 -9.001 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.577 -10.504 -5.292 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.101 -9.251 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 71 11.411 -11.326 -3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.951 -10.535 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 71 10.378 -12.044 -5.895 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.010 -12.939 -2.523 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.661 -14.649 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.935 -14.231 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.058 -15.372 -4.876 1.00 0.00 H new ATOM 940 N SER A 72 10.967 -6.057 -6.487 1.00 0.00 N ATOM 941 CA SER A 72 11.757 -4.839 -6.587 1.00 0.00 C ATOM 942 C SER A 72 10.911 -3.737 -7.214 1.00 0.00 C ATOM 943 O SER A 72 10.128 -3.996 -8.130 1.00 0.00 O ATOM 944 CB SER A 72 13.017 -5.088 -7.421 1.00 0.00 C ATOM 945 OG SER A 72 13.736 -6.209 -6.934 1.00 0.00 O ATOM 0 H SER A 72 10.365 -6.231 -7.292 1.00 0.00 H new ATOM 0 HA SER A 72 12.066 -4.528 -5.589 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.741 -5.253 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.654 -4.204 -7.396 1.00 0.00 H new ATOM 0 HG SER A 72 14.535 -6.349 -7.483 1.00 0.00 H new ATOM 951 N PHE A 73 11.055 -2.516 -6.719 1.00 0.00 N ATOM 952 CA PHE A 73 10.277 -1.402 -7.242 1.00 0.00 C ATOM 953 C PHE A 73 10.907 -0.068 -6.871 1.00 0.00 C ATOM 954 O PHE A 73 11.904 -0.023 -6.158 1.00 0.00 O ATOM 955 CB PHE A 73 8.839 -1.464 -6.714 1.00 0.00 C ATOM 956 CG PHE A 73 8.725 -1.369 -5.212 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.587 -0.138 -4.586 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.745 -2.510 -4.429 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.475 -0.049 -3.215 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.632 -2.426 -3.055 1.00 0.00 C ATOM 961 CZ PHE A 73 8.495 -1.196 -2.448 1.00 0.00 C ATOM 0 H PHE A 73 11.696 -2.273 -5.964 1.00 0.00 H new ATOM 0 HA PHE A 73 10.265 -1.484 -8.329 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.264 -0.654 -7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.383 -2.398 -7.043 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.567 0.763 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.850 -3.477 -4.898 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.372 0.916 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.651 -3.324 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.403 -1.130 -1.374 1.00 0.00 H new ATOM 971 N GLU A 74 10.321 1.011 -7.362 1.00 0.00 N ATOM 972 CA GLU A 74 10.809 2.348 -7.067 1.00 0.00 C ATOM 973 C GLU A 74 9.977 2.966 -5.954 1.00 0.00 C ATOM 974 O GLU A 74 8.753 3.047 -6.060 1.00 0.00 O ATOM 975 CB GLU A 74 10.761 3.225 -8.314 1.00 0.00 C ATOM 976 CG GLU A 74 11.668 2.737 -9.424 1.00 0.00 C ATOM 977 CD GLU A 74 11.625 3.638 -10.633 1.00 0.00 C ATOM 978 OE1 GLU A 74 10.725 3.461 -11.477 1.00 0.00 O ATOM 979 OE2 GLU A 74 12.495 4.526 -10.747 1.00 0.00 O ATOM 0 H GLU A 74 9.502 0.987 -7.970 1.00 0.00 H new ATOM 0 HA GLU A 74 11.846 2.278 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.736 3.265 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.043 4.243 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.692 2.677 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.374 1.728 -9.714 1.00 0.00 H new ATOM 986 N GLY A 75 10.643 3.392 -4.897 1.00 0.00 N ATOM 987 CA GLY A 75 9.946 3.976 -3.773 1.00 0.00 C ATOM 988 C GLY A 75 9.688 5.459 -3.945 1.00 0.00 C ATOM 989 O GLY A 75 10.579 6.213 -4.355 1.00 0.00 O ATOM 0 H GLY A 75 11.657 3.344 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.996 3.461 -3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.531 3.817 -2.867 1.00 0.00 H new ATOM 993 N PHE A 76 8.472 5.881 -3.623 1.00 0.00 N ATOM 994 CA PHE A 76 8.088 7.275 -3.734 1.00 0.00 C ATOM 995 C PHE A 76 7.615 7.775 -2.385 1.00 0.00 C ATOM 996 O PHE A 76 6.976 7.038 -1.636 1.00 0.00 O ATOM 997 CB PHE A 76 6.975 7.449 -4.771 1.00 0.00 C ATOM 998 CG PHE A 76 7.466 7.690 -6.173 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.367 6.826 -6.774 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.017 8.785 -6.895 1.00 0.00 C ATOM 1001 CE1 PHE A 76 8.807 7.049 -8.065 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.453 9.010 -8.186 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.349 8.142 -8.771 1.00 0.00 C ATOM 0 H PHE A 76 7.732 5.269 -3.280 1.00 0.00 H new ATOM 0 HA PHE A 76 8.953 7.853 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.348 6.557 -4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.343 8.285 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.730 5.968 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.317 9.471 -6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.510 6.367 -8.521 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.092 9.866 -8.737 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.692 8.317 -9.780 1.00 0.00 H new ATOM 1013 N LEU A 77 7.945 9.016 -2.073 1.00 0.00 N ATOM 1014 CA LEU A 77 7.543 9.615 -0.814 1.00 0.00 C ATOM 1015 C LEU A 77 6.068 9.991 -0.860 1.00 0.00 C ATOM 1016 O LEU A 77 5.465 10.022 -1.935 1.00 0.00 O ATOM 1017 CB LEU A 77 8.401 10.844 -0.511 1.00 0.00 C ATOM 1018 CG LEU A 77 9.861 10.542 -0.163 1.00 0.00 C ATOM 1019 CD1 LEU A 77 10.676 11.824 -0.107 1.00 0.00 C ATOM 1020 CD2 LEU A 77 9.951 9.795 1.159 1.00 0.00 C ATOM 0 H LEU A 77 8.492 9.630 -2.677 1.00 0.00 H new ATOM 0 HA LEU A 77 7.692 8.888 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.379 11.507 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.950 11.388 0.319 1.00 0.00 H new ATOM 0 HG LEU A 77 10.275 9.907 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.710 11.587 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.641 12.320 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.262 12.485 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.996 9.589 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.518 10.405 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.404 8.855 1.084 1.00 0.00 H new ATOM 1032 N PHE A 78 5.494 10.290 0.297 1.00 0.00 N ATOM 1033 CA PHE A 78 4.086 10.654 0.372 1.00 0.00 C ATOM 1034 C PHE A 78 3.833 11.973 -0.341 1.00 0.00 C ATOM 1035 O PHE A 78 2.770 12.180 -0.927 1.00 0.00 O ATOM 1036 CB PHE A 78 3.627 10.749 1.830 1.00 0.00 C ATOM 1037 CG PHE A 78 2.674 9.658 2.235 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.669 9.241 1.375 1.00 0.00 C ATOM 1039 CD2 PHE A 78 2.781 9.057 3.475 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.790 8.241 1.747 1.00 0.00 C ATOM 1041 CE2 PHE A 78 1.906 8.057 3.854 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.908 7.648 2.989 1.00 0.00 C ATOM 0 H PHE A 78 5.980 10.288 1.194 1.00 0.00 H new ATOM 0 HA PHE A 78 3.510 9.873 -0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.501 10.716 2.480 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.148 11.715 1.989 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.572 9.703 0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.558 9.373 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.012 7.924 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.002 7.595 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.223 6.867 3.284 1.00 0.00 H new ATOM 1052 N ASP A 79 4.821 12.856 -0.307 1.00 0.00 N ATOM 1053 CA ASP A 79 4.704 14.153 -0.956 1.00 0.00 C ATOM 1054 C ASP A 79 4.727 14.008 -2.478 1.00 0.00 C ATOM 1055 O ASP A 79 4.155 14.832 -3.192 1.00 0.00 O ATOM 1056 CB ASP A 79 5.816 15.094 -0.487 1.00 0.00 C ATOM 1057 CG ASP A 79 6.935 15.246 -1.500 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.790 14.343 -1.587 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.968 16.276 -2.203 1.00 0.00 O ATOM 0 H ASP A 79 5.712 12.697 0.163 1.00 0.00 H new ATOM 0 HA ASP A 79 3.745 14.586 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.389 16.075 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.230 14.719 0.449 1.00 0.00 H new ATOM 1064 N GLY A 80 5.388 12.964 -2.966 1.00 0.00 N ATOM 1065 CA GLY A 80 5.449 12.732 -4.398 1.00 0.00 C ATOM 1066 C GLY A 80 6.862 12.559 -4.923 1.00 0.00 C ATOM 1067 O GLY A 80 7.060 11.989 -5.996 1.00 0.00 O ATOM 0 H GLY A 80 5.882 12.276 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.869 11.841 -4.639 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.978 13.569 -4.914 1.00 0.00 H new ATOM 1071 N THR A 81 7.849 13.043 -4.176 1.00 0.00 N ATOM 1072 CA THR A 81 9.241 12.935 -4.596 1.00 0.00 C ATOM 1073 C THR A 81 9.715 11.481 -4.568 1.00 0.00 C ATOM 1074 O THR A 81 9.393 10.728 -3.647 1.00 0.00 O ATOM 1075 CB THR A 81 10.160 13.800 -3.710 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.522 15.054 -3.431 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.493 14.062 -4.396 1.00 0.00 C ATOM 0 H THR A 81 7.712 13.512 -3.281 1.00 0.00 H new ATOM 0 HA THR A 81 9.298 13.302 -5.621 1.00 0.00 H new ATOM 0 HB THR A 81 10.344 13.258 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.137 15.032 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.121 14.674 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.992 13.114 -4.595 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.322 14.586 -5.336 1.00 0.00 H new ATOM 1085 N ARG A 82 10.463 11.086 -5.590 1.00 0.00 N ATOM 1086 CA ARG A 82 10.974 9.724 -5.677 1.00 0.00 C ATOM 1087 C ARG A 82 12.301 9.586 -4.941 1.00 0.00 C ATOM 1088 O ARG A 82 13.081 10.537 -4.859 1.00 0.00 O ATOM 1089 CB ARG A 82 11.152 9.300 -7.135 1.00 0.00 C ATOM 1090 CG ARG A 82 11.751 10.377 -8.032 1.00 0.00 C ATOM 1091 CD ARG A 82 12.357 9.784 -9.295 1.00 0.00 C ATOM 1092 NE ARG A 82 11.381 9.027 -10.074 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.529 7.748 -10.420 1.00 0.00 C ATOM 1094 NH1 ARG A 82 12.587 7.059 -10.020 1.00 0.00 N ATOM 1095 NH2 ARG A 82 10.612 7.148 -11.165 1.00 0.00 N ATOM 0 H ARG A 82 10.729 11.688 -6.369 1.00 0.00 H new ATOM 0 HA ARG A 82 10.241 9.071 -5.204 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.791 8.418 -7.169 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.182 9.007 -7.537 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.978 11.097 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.517 10.924 -7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.767 10.585 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.188 9.132 -9.025 1.00 0.00 H new ATOM 0 HE ARG A 82 10.532 9.507 -10.372 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.298 7.506 -9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.691 6.081 -10.290 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.789 7.665 -11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.729 6.169 -11.428 1.00 0.00 H new ATOM 1109 N TRP A 83 12.545 8.399 -4.408 1.00 0.00 N ATOM 1110 CA TRP A 83 13.777 8.120 -3.686 1.00 0.00 C ATOM 1111 C TRP A 83 14.714 7.290 -4.557 1.00 0.00 C ATOM 1112 O TRP A 83 15.858 7.679 -4.807 1.00 0.00 O ATOM 1113 CB TRP A 83 13.467 7.373 -2.386 1.00 0.00 C ATOM 1114 CG TRP A 83 14.545 7.479 -1.351 1.00 0.00 C ATOM 1115 CD1 TRP A 83 15.816 6.990 -1.436 1.00 0.00 C ATOM 1116 CD2 TRP A 83 14.438 8.096 -0.062 1.00 0.00 C ATOM 1117 NE1 TRP A 83 16.507 7.273 -0.285 1.00 0.00 N ATOM 1118 CE2 TRP A 83 15.681 7.950 0.576 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.410 8.759 0.613 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.927 8.443 1.857 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.653 9.247 1.885 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.904 9.088 2.494 1.00 0.00 C ATOM 0 H TRP A 83 11.902 7.609 -4.462 1.00 0.00 H new ATOM 0 HA TRP A 83 14.265 9.063 -3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.538 7.761 -1.969 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.299 6.321 -2.615 1.00 0.00 H new ATOM 0 HD1 TRP A 83 16.219 6.458 -2.285 1.00 0.00 H new ATOM 0 HE1 TRP A 83 17.478 7.021 -0.099 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.443 8.888 0.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 16.891 8.320 2.329 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.865 9.759 2.417 1.00 0.00 H new ATOM 0 HH2 TRP A 83 15.064 9.483 3.487 1.00 0.00 H new ATOM 1133 N GLY A 84 14.216 6.153 -5.020 1.00 0.00 N ATOM 1134 CA GLY A 84 15.007 5.278 -5.856 1.00 0.00 C ATOM 1135 C GLY A 84 14.456 3.874 -5.876 1.00 0.00 C ATOM 1136 O GLY A 84 13.375 3.620 -5.340 1.00 0.00 O ATOM 0 H GLY A 84 13.271 5.820 -4.829 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.034 5.672 -6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.035 5.260 -5.493 1.00 0.00 H new ATOM 1140 N THR A 85 15.191 2.961 -6.486 1.00 0.00 N ATOM 1141 CA THR A 85 14.764 1.579 -6.572 1.00 0.00 C ATOM 1142 C THR A 85 15.110 0.823 -5.291 1.00 0.00 C ATOM 1143 O THR A 85 16.271 0.759 -4.886 1.00 0.00 O ATOM 1144 CB THR A 85 15.409 0.877 -7.783 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.430 1.771 -8.907 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.641 -0.384 -8.154 1.00 0.00 C ATOM 0 H THR A 85 16.089 3.154 -6.930 1.00 0.00 H new ATOM 0 HA THR A 85 13.682 1.575 -6.701 1.00 0.00 H new ATOM 0 HB THR A 85 16.427 0.597 -7.513 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.842 1.322 -9.674 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.116 -0.861 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.642 -1.073 -7.309 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.614 -0.123 -8.408 1.00 0.00 H new ATOM 1154 N VAL A 86 14.093 0.273 -4.642 1.00 0.00 N ATOM 1155 CA VAL A 86 14.287 -0.486 -3.416 1.00 0.00 C ATOM 1156 C VAL A 86 14.135 -1.973 -3.698 1.00 0.00 C ATOM 1157 O VAL A 86 13.832 -2.369 -4.827 1.00 0.00 O ATOM 1158 CB VAL A 86 13.296 -0.074 -2.306 1.00 0.00 C ATOM 1159 CG1 VAL A 86 13.718 1.240 -1.670 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.882 0.036 -2.852 1.00 0.00 C ATOM 0 H VAL A 86 13.122 0.339 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 86 15.294 -0.268 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 86 13.309 -0.851 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.006 1.512 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 86 14.711 1.130 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.740 2.021 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.204 0.327 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.854 0.787 -3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.572 -0.928 -3.257 1.00 0.00 H new ATOM 1170 N ASP A 87 14.335 -2.792 -2.681 1.00 0.00 N ATOM 1171 CA ASP A 87 14.228 -4.235 -2.841 1.00 0.00 C ATOM 1172 C ASP A 87 13.459 -4.866 -1.687 1.00 0.00 C ATOM 1173 O ASP A 87 13.489 -4.368 -0.564 1.00 0.00 O ATOM 1174 CB ASP A 87 15.624 -4.850 -2.941 1.00 0.00 C ATOM 1175 CG ASP A 87 15.605 -6.357 -2.818 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.181 -7.026 -3.779 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.000 -6.880 -1.751 1.00 0.00 O ATOM 0 H ASP A 87 14.572 -2.486 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 87 13.676 -4.435 -3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.072 -4.573 -3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.258 -4.433 -2.158 1.00 0.00 H new ATOM 1182 N CYS A 88 12.757 -5.955 -1.976 1.00 0.00 N ATOM 1183 CA CYS A 88 11.994 -6.666 -0.964 1.00 0.00 C ATOM 1184 C CYS A 88 12.430 -8.129 -0.898 1.00 0.00 C ATOM 1185 O CYS A 88 11.791 -8.949 -0.240 1.00 0.00 O ATOM 1186 CB CYS A 88 10.495 -6.567 -1.259 1.00 0.00 C ATOM 1187 SG CYS A 88 9.852 -4.862 -1.253 1.00 0.00 S ATOM 0 H CYS A 88 12.702 -6.365 -2.909 1.00 0.00 H new ATOM 0 HA CYS A 88 12.187 -6.204 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.296 -7.017 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 88 9.950 -7.153 -0.519 1.00 0.00 H new ATOM 1192 N THR A 89 13.529 -8.450 -1.574 1.00 0.00 N ATOM 1193 CA THR A 89 14.048 -9.809 -1.584 1.00 0.00 C ATOM 1194 C THR A 89 14.730 -10.132 -0.257 1.00 0.00 C ATOM 1195 O THR A 89 14.523 -11.202 0.317 1.00 0.00 O ATOM 1196 CB THR A 89 15.052 -10.031 -2.735 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.524 -9.506 -3.958 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.358 -11.511 -2.909 1.00 0.00 C ATOM 0 H THR A 89 14.076 -7.785 -2.121 1.00 0.00 H new ATOM 0 HA THR A 89 13.197 -10.474 -1.734 1.00 0.00 H new ATOM 0 HB THR A 89 15.975 -9.509 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.909 -8.621 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.068 -11.642 -3.726 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.788 -11.904 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.438 -12.048 -3.138 1.00 0.00 H new ATOM 1206 N THR A 90 15.532 -9.192 0.227 1.00 0.00 N ATOM 1207 CA THR A 90 16.246 -9.372 1.484 1.00 0.00 C ATOM 1208 C THR A 90 16.029 -8.170 2.408 1.00 0.00 C ATOM 1209 O THR A 90 16.809 -7.925 3.330 1.00 0.00 O ATOM 1210 CB THR A 90 17.760 -9.595 1.233 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.412 -10.039 2.431 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.435 -8.327 0.726 1.00 0.00 C ATOM 0 H THR A 90 15.704 -8.297 -0.232 1.00 0.00 H new ATOM 0 HA THR A 90 15.846 -10.260 1.973 1.00 0.00 H new ATOM 0 HB THR A 90 17.851 -10.364 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.129 -9.480 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.495 -8.520 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.972 -8.018 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.321 -7.534 1.465 1.00 0.00 H new ATOM 1220 N ALA A 91 14.948 -7.441 2.169 1.00 0.00 N ATOM 1221 CA ALA A 91 14.626 -6.267 2.969 1.00 0.00 C ATOM 1222 C ALA A 91 13.183 -6.322 3.454 1.00 0.00 C ATOM 1223 O ALA A 91 12.422 -7.200 3.048 1.00 0.00 O ATOM 1224 CB ALA A 91 14.874 -5.000 2.169 1.00 0.00 C ATOM 0 H ALA A 91 14.278 -7.642 1.427 1.00 0.00 H new ATOM 0 HA ALA A 91 15.276 -6.258 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.629 -4.131 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.923 -4.954 1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.248 -5.005 1.277 1.00 0.00 H new ATOM 1230 N ALA A 92 12.811 -5.382 4.316 1.00 0.00 N ATOM 1231 CA ALA A 92 11.462 -5.336 4.861 1.00 0.00 C ATOM 1232 C ALA A 92 10.480 -4.720 3.868 1.00 0.00 C ATOM 1233 O ALA A 92 10.636 -3.571 3.448 1.00 0.00 O ATOM 1234 CB ALA A 92 11.450 -4.566 6.170 1.00 0.00 C ATOM 0 H ALA A 92 13.427 -4.641 4.652 1.00 0.00 H new ATOM 0 HA ALA A 92 11.141 -6.360 5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 92 10.435 -4.539 6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.107 -5.057 6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.799 -3.548 5.997 1.00 0.00 H new ATOM 1240 N CYS A 93 9.466 -5.492 3.508 1.00 0.00 N ATOM 1241 CA CYS A 93 8.445 -5.050 2.569 1.00 0.00 C ATOM 1242 C CYS A 93 7.060 -5.204 3.198 1.00 0.00 C ATOM 1243 O CYS A 93 6.771 -6.224 3.831 1.00 0.00 O ATOM 1244 CB CYS A 93 8.542 -5.880 1.285 1.00 0.00 C ATOM 1245 SG CYS A 93 8.096 -4.983 -0.236 1.00 0.00 S ATOM 0 H CYS A 93 9.327 -6.440 3.857 1.00 0.00 H new ATOM 0 HA CYS A 93 8.602 -3.999 2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 93 9.562 -6.252 1.185 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.893 -6.750 1.381 1.00 0.00 H new ATOM 1250 N GLN A 94 6.210 -4.193 3.043 1.00 0.00 N ATOM 1251 CA GLN A 94 4.865 -4.243 3.606 1.00 0.00 C ATOM 1252 C GLN A 94 3.849 -3.611 2.660 1.00 0.00 C ATOM 1253 O GLN A 94 4.210 -3.011 1.646 1.00 0.00 O ATOM 1254 CB GLN A 94 4.818 -3.538 4.970 1.00 0.00 C ATOM 1255 CG GLN A 94 4.857 -2.023 4.885 1.00 0.00 C ATOM 1256 CD GLN A 94 4.232 -1.349 6.095 1.00 0.00 C ATOM 1257 OE1 GLN A 94 4.910 -1.057 7.079 1.00 0.00 O ATOM 1258 NE2 GLN A 94 2.933 -1.102 6.033 1.00 0.00 N ATOM 0 H GLN A 94 6.427 -3.335 2.536 1.00 0.00 H new ATOM 0 HA GLN A 94 4.605 -5.293 3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.909 -3.839 5.492 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.660 -3.879 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.892 -1.696 4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.334 -1.701 3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.404 -1.359 5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.461 -0.655 6.819 1.00 0.00 H new ATOM 1267 N VAL A 95 2.579 -3.763 2.996 1.00 0.00 N ATOM 1268 CA VAL A 95 1.505 -3.193 2.199 1.00 0.00 C ATOM 1269 C VAL A 95 1.104 -1.850 2.796 1.00 0.00 C ATOM 1270 O VAL A 95 0.817 -1.760 3.990 1.00 0.00 O ATOM 1271 CB VAL A 95 0.269 -4.120 2.142 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.716 -3.639 1.085 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.688 -5.558 1.872 1.00 0.00 C ATOM 0 H VAL A 95 2.265 -4.278 3.818 1.00 0.00 H new ATOM 0 HA VAL A 95 1.871 -3.069 1.180 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.228 -4.086 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.578 -4.305 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.045 -2.628 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.231 -3.639 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.196 -6.194 1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.212 -5.611 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.349 -5.900 2.669 1.00 0.00 H new ATOM 1283 N GLY A 96 1.111 -0.808 1.980 1.00 0.00 N ATOM 1284 CA GLY A 96 0.763 0.508 2.465 1.00 0.00 C ATOM 1285 C GLY A 96 -0.542 1.013 1.894 1.00 0.00 C ATOM 1286 O GLY A 96 -0.720 1.050 0.676 1.00 0.00 O ATOM 0 H GLY A 96 1.352 -0.851 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.694 0.484 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.560 1.207 2.212 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.452 1.396 2.775 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.748 1.914 2.371 1.00 0.00 C ATOM 1292 C LEU A 97 -3.086 3.157 3.187 1.00 0.00 C ATOM 1293 O LEU A 97 -2.994 3.148 4.416 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.843 0.848 2.546 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.071 0.350 3.977 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.542 0.032 4.199 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.209 -0.871 4.270 1.00 0.00 C ATOM 0 H LEU A 97 -1.314 1.357 3.785 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.701 2.181 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.782 1.254 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.593 -0.008 1.920 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.779 1.143 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.688 -0.321 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.137 0.931 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.856 -0.742 3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.388 -1.206 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.464 -1.671 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.157 -0.610 4.153 1.00 0.00 H new ATOM 1309 N SER A 98 -3.429 4.238 2.506 1.00 0.00 N ATOM 1310 CA SER A 98 -3.779 5.481 3.177 1.00 0.00 C ATOM 1311 C SER A 98 -4.724 6.307 2.315 1.00 0.00 C ATOM 1312 O SER A 98 -4.841 6.074 1.112 1.00 0.00 O ATOM 1313 CB SER A 98 -2.515 6.288 3.489 1.00 0.00 C ATOM 1314 OG SER A 98 -1.633 5.555 4.321 1.00 0.00 O ATOM 0 H SER A 98 -3.473 4.281 1.488 1.00 0.00 H new ATOM 0 HA SER A 98 -4.284 5.237 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.009 6.551 2.560 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.788 7.223 3.978 1.00 0.00 H new ATOM 0 HG SER A 98 -1.010 6.171 4.760 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.414 7.250 2.938 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.337 8.116 2.220 1.00 0.00 C ATOM 1322 C ASP A 99 -5.581 9.296 1.608 1.00 0.00 C ATOM 1323 O ASP A 99 -4.350 9.321 1.608 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.448 8.611 3.156 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.036 9.799 4.000 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.958 9.756 4.618 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.786 10.791 4.029 1.00 0.00 O ATOM 0 H ASP A 99 -5.352 7.435 3.939 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.800 7.545 1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.320 8.882 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.750 7.795 3.813 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.316 10.276 1.100 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.709 11.449 0.482 1.00 0.00 C ATOM 1334 C ALA A 100 -4.943 12.304 1.499 1.00 0.00 C ATOM 1335 O ALA A 100 -4.029 13.043 1.133 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.773 12.276 -0.222 1.00 0.00 C ATOM 0 H ALA A 100 -7.336 10.283 1.103 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.983 11.099 -0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.310 13.150 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.252 11.672 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.521 12.599 0.502 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.313 12.205 2.770 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.651 12.973 3.819 1.00 0.00 C ATOM 1344 C ALA A 101 -3.428 12.228 4.350 1.00 0.00 C ATOM 1345 O ALA A 101 -2.403 12.835 4.673 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.624 13.269 4.950 1.00 0.00 C ATOM 0 H ALA A 101 -6.067 11.602 3.100 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.314 13.917 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.117 13.843 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.465 13.845 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.988 12.332 5.371 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.539 10.912 4.441 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.440 10.103 4.932 1.00 0.00 C ATOM 1354 C GLY A 102 -2.816 9.362 6.195 1.00 0.00 C ATOM 1355 O GLY A 102 -1.966 9.075 7.040 1.00 0.00 O ATOM 0 H GLY A 102 -4.374 10.386 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.142 9.388 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.577 10.740 5.126 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.100 9.069 6.326 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.625 8.358 7.482 1.00 0.00 C ATOM 1361 C ASN A 103 -5.332 7.087 7.031 1.00 0.00 C ATOM 1362 O ASN A 103 -5.315 6.748 5.845 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.606 9.244 8.258 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.948 10.477 8.850 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.467 10.457 9.984 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.938 11.562 8.092 1.00 0.00 N ATOM 0 H ASN A 103 -4.808 9.317 5.635 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.793 8.098 8.136 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.413 9.553 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.059 8.660 9.059 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.521 12.425 8.442 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.347 11.535 7.158 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.955 6.395 7.973 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.659 5.173 7.651 1.00 0.00 C ATOM 1375 C GLY A 104 -6.164 4.008 8.478 1.00 0.00 C ATOM 1376 O GLY A 104 -5.443 4.208 9.460 1.00 0.00 O ATOM 0 H GLY A 104 -5.985 6.660 8.958 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.727 5.312 7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.532 4.948 6.592 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.539 2.776 8.103 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.124 1.563 8.816 1.00 0.00 C ATOM 1382 C PRO A 105 -4.616 1.353 8.761 1.00 0.00 C ATOM 1383 O PRO A 105 -3.945 1.818 7.838 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.844 0.432 8.070 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.929 1.104 7.298 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.398 2.464 6.954 1.00 0.00 C ATOM 0 HA PRO A 105 -6.374 1.614 9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.161 -0.101 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.251 -0.302 8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.176 0.541 6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.842 1.178 7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.837 2.455 6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.199 3.194 6.838 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.094 0.646 9.748 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.667 0.378 9.826 1.00 0.00 C ATOM 1396 C GLU A 106 -2.246 -0.633 8.766 1.00 0.00 C ATOM 1397 O GLU A 106 -3.026 -1.504 8.377 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.308 -0.151 11.215 1.00 0.00 C ATOM 1399 CG GLU A 106 -0.905 0.220 11.669 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.462 -0.568 12.883 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.207 -0.597 13.886 1.00 0.00 O ATOM 1402 OE2 GLU A 106 0.632 -1.167 12.842 1.00 0.00 O ATOM 0 H GLU A 106 -4.640 0.245 10.511 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.135 1.312 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.027 0.234 11.937 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.405 -1.237 11.216 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.204 0.047 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.870 1.285 11.899 1.00 0.00 H new ATOM 1409 N GLY A 107 -1.010 -0.511 8.302 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.499 -1.420 7.299 1.00 0.00 C ATOM 1411 C GLY A 107 0.197 -2.605 7.927 1.00 0.00 C ATOM 1412 O GLY A 107 0.706 -2.511 9.044 1.00 0.00 O ATOM 0 H GLY A 107 -0.350 0.205 8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.319 -1.769 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.197 -0.891 6.648 1.00 0.00 H new ATOM 1416 N VAL A 108 0.227 -3.721 7.221 1.00 0.00 N ATOM 1417 CA VAL A 108 0.861 -4.924 7.739 1.00 0.00 C ATOM 1418 C VAL A 108 2.039 -5.332 6.858 1.00 0.00 C ATOM 1419 O VAL A 108 2.032 -5.096 5.645 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.143 -6.099 7.830 1.00 0.00 C ATOM 1421 CG1 VAL A 108 0.354 -7.172 8.794 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.526 -5.608 8.245 1.00 0.00 C ATOM 0 H VAL A 108 -0.178 -3.821 6.290 1.00 0.00 H new ATOM 0 HA VAL A 108 1.220 -4.695 8.743 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.222 -6.542 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.371 -7.985 8.838 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.312 -7.558 8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.476 -6.740 9.787 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.211 -6.454 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.463 -5.127 9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.893 -4.892 7.510 1.00 0.00 H new ATOM 1432 N ALA A 109 3.052 -5.930 7.471 1.00 0.00 N ATOM 1433 CA ALA A 109 4.232 -6.374 6.745 1.00 0.00 C ATOM 1434 C ALA A 109 4.030 -7.781 6.215 1.00 0.00 C ATOM 1435 O ALA A 109 3.267 -8.567 6.783 1.00 0.00 O ATOM 1436 CB ALA A 109 5.458 -6.309 7.640 1.00 0.00 C ATOM 0 H ALA A 109 3.079 -6.119 8.473 1.00 0.00 H new ATOM 0 HA ALA A 109 4.390 -5.708 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.333 -6.644 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.611 -5.283 7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.311 -6.954 8.506 1.00 0.00 H new ATOM 1442 N ILE A 110 4.705 -8.092 5.121 1.00 0.00 N ATOM 1443 CA ILE A 110 4.601 -9.403 4.505 1.00 0.00 C ATOM 1444 C ILE A 110 5.982 -10.013 4.312 1.00 0.00 C ATOM 1445 O ILE A 110 6.979 -9.297 4.244 1.00 0.00 O ATOM 1446 CB ILE A 110 3.884 -9.334 3.139 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.501 -8.235 2.268 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.394 -9.096 3.333 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.959 -8.193 0.858 1.00 0.00 C ATOM 0 H ILE A 110 5.334 -7.450 4.639 1.00 0.00 H new ATOM 0 HA ILE A 110 4.012 -10.028 5.176 1.00 0.00 H new ATOM 0 HB ILE A 110 4.013 -10.288 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.327 -7.269 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.580 -8.381 2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.903 -9.050 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.968 -9.912 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.242 -8.155 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 110 4.445 -7.389 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.157 -9.144 0.364 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.884 -8.015 0.887 1.00 0.00 H new ATOM 1461 N SER A 111 6.036 -11.328 4.236 1.00 0.00 N ATOM 1462 CA SER A 111 7.293 -12.027 4.044 1.00 0.00 C ATOM 1463 C SER A 111 7.156 -13.041 2.919 1.00 0.00 C ATOM 1464 O SER A 111 6.171 -13.775 2.855 1.00 0.00 O ATOM 1465 CB SER A 111 7.717 -12.732 5.335 1.00 0.00 C ATOM 1466 OG SER A 111 7.771 -11.822 6.426 1.00 0.00 O ATOM 0 H SER A 111 5.221 -11.937 4.305 1.00 0.00 H new ATOM 0 HA SER A 111 8.059 -11.299 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.014 -13.534 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.694 -13.194 5.195 1.00 0.00 H new ATOM 0 HG SER A 111 8.043 -12.300 7.237 1.00 0.00 H new ATOM 1472 N PHE A 112 8.130 -13.066 2.026 1.00 0.00 N ATOM 1473 CA PHE A 112 8.116 -13.999 0.909 1.00 0.00 C ATOM 1474 C PHE A 112 8.702 -15.332 1.346 1.00 0.00 C ATOM 1475 O PHE A 112 9.500 -15.386 2.286 1.00 0.00 O ATOM 1476 CB PHE A 112 8.912 -13.442 -0.272 1.00 0.00 C ATOM 1477 CG PHE A 112 8.443 -12.092 -0.739 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.451 -11.983 -1.698 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.001 -10.933 -0.223 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.021 -10.743 -2.133 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.574 -9.691 -0.651 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.583 -9.596 -1.608 1.00 0.00 C ATOM 0 H PHE A 112 8.943 -12.450 2.051 1.00 0.00 H new ATOM 0 HA PHE A 112 7.084 -14.144 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.963 -13.373 0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.851 -14.145 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.008 -12.877 -2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 112 9.779 -11.002 0.523 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.247 -10.672 -2.882 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.014 -8.796 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.248 -8.626 -1.945 1.00 0.00 H new ATOM 1492 N ASN A 113 8.302 -16.406 0.682 1.00 0.00 N ATOM 1493 CA ASN A 113 8.811 -17.728 1.023 1.00 0.00 C ATOM 1494 C ASN A 113 10.263 -17.869 0.576 1.00 0.00 C ATOM 1495 O ASN A 113 10.992 -18.681 1.178 1.00 0.00 O ATOM 1496 CB ASN A 113 7.952 -18.850 0.415 1.00 0.00 C ATOM 1497 CG ASN A 113 7.932 -18.833 -1.099 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.860 -19.309 -1.754 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.857 -18.318 -1.664 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.673 -17.143 -0.356 1.00 0.00 O ATOM 0 H ASN A 113 7.634 -16.391 -0.088 1.00 0.00 H new ATOM 0 HA ASN A 113 8.759 -17.829 2.107 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.330 -19.814 0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.931 -18.759 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.772 -18.304 -2.680 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.111 -17.934 -1.085 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.618 5.780 4.443 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.515 6.777 4.089 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.834 7.046 2.747 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.180 6.235 1.682 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.247 5.205 2.130 1.00 20.00 C HETATM 1513 C2 FLN A 114 4.002 5.018 3.454 1.00 20.00 C HETATM 1514 C1' FLN A 114 3.100 4.038 4.154 1.00 20.00 C HETATM 1515 C2' FLN A 114 3.638 2.980 4.887 1.00 20.00 C HETATM 1516 C3' FLN A 114 2.787 2.083 5.537 1.00 20.00 C HETATM 1517 C4' FLN A 114 1.389 2.189 5.487 1.00 20.00 C HETATM 1518 C5' FLN A 114 0.893 3.266 4.743 1.00 20.00 C HETATM 1519 C6' FLN A 114 1.714 4.175 4.086 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.423 6.433 0.487 1.00 20.00 O HETATM 1521 C5 FLN A 114 6.757 8.079 2.451 1.00 20.00 C HETATM 1522 C6 FLN A 114 7.342 8.813 3.498 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.999 8.512 4.834 1.00 20.00 C HETATM 1524 C8 FLN A 114 6.086 7.498 5.132 1.00 20.00 C HETATM 0 H8 FLN A 114 5.825 7.275 6.167 1.00 20.00 H new HETATM 0 H7 FLN A 114 7.454 9.080 5.646 1.00 20.00 H new HETATM 0 H6' FLN A 114 1.274 4.995 3.518 1.00 20.00 H new HETATM 0 H6 FLN A 114 8.055 9.608 3.280 1.00 20.00 H new HETATM 0 H5' FLN A 114 -0.187 3.398 4.676 1.00 20.00 H new HETATM 0 H5 FLN A 114 7.013 8.304 1.416 1.00 20.00 H new HETATM 0 H4' FLN A 114 0.733 1.481 5.993 1.00 20.00 H new HETATM 0 H3' FLN A 114 3.228 1.266 6.108 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.741 4.579 1.395 1.00 20.00 H new HETATM 0 H2' FLN A 114 4.719 2.854 4.952 1.00 20.00 H new