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 14 SER OG : rot 180:sc= 0.875 USER MOD Set 1.2: A 113 ASN : amide:sc= 1.43 K(o=2.3,f=1.3) USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.115 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 66:sc= 1.21 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 10 SER OG : rot -150:sc= -0.853 USER MOD Single : A 11 SER OG : rot 180:sc= -0.881 USER MOD Single : A 17 THR OG1 : rot 120:sc= 1.3 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.22 K(o=-0.22,f=-0.74) USER MOD Single : A 30 THR OG1 : rot 79:sc= 1.27 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.91! USER MOD Single : A 36 GLN : amide:sc= -3.04! C(o=-3!,f=-8.6!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0665 K(o=-0.067,f=-3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -69:sc= 1.23 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.1) USER MOD Single : A 62 SER OG : rot 50:sc= 0.717 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.000913 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 107:sc= 0.693 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00194 USER MOD Single : A 89 THR OG1 : rot 117:sc= 0.638 USER MOD Single : A 90 THR OG1 : rot -41:sc= 0.0947 USER MOD Single : A 94 GLN : amide:sc= -0.255 K(o=-0.25,f=-3.7!) USER MOD Single : A 98 SER OG : rot 134:sc= 0.189 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 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.097 5.034 16.016 1.00 0.00 N ATOM 2 CA ALA A 1 -17.385 3.662 15.543 1.00 0.00 C ATOM 3 C ALA A 1 -16.099 2.957 15.141 1.00 0.00 C ATOM 4 O ALA A 1 -15.063 3.597 14.951 1.00 0.00 O ATOM 5 CB ALA A 1 -18.358 3.690 14.376 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.326 5.108 17.028 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.089 5.246 15.872 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.674 5.714 15.481 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.845 3.108 16.362 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.556 2.671 14.043 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.291 4.157 14.691 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.925 4.262 13.555 1.00 0.00 H new ATOM 11 N ALA A 2 -16.165 1.640 15.021 1.00 0.00 N ATOM 12 CA ALA A 2 -15.010 0.847 14.630 1.00 0.00 C ATOM 13 C ALA A 2 -15.190 0.304 13.216 1.00 0.00 C ATOM 14 O ALA A 2 -16.176 -0.379 12.930 1.00 0.00 O ATOM 15 CB ALA A 2 -14.785 -0.291 15.614 1.00 0.00 C ATOM 0 H ALA A 2 -17.011 1.096 15.190 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.130 1.490 14.643 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.917 -0.873 15.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.612 0.118 16.610 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.665 -0.934 15.634 1.00 0.00 H new ATOM 21 N PRO A 3 -14.250 0.607 12.313 1.00 0.00 N ATOM 22 CA PRO A 3 -14.314 0.149 10.924 1.00 0.00 C ATOM 23 C PRO A 3 -13.957 -1.327 10.775 1.00 0.00 C ATOM 24 O PRO A 3 -13.307 -1.916 11.641 1.00 0.00 O ATOM 25 CB PRO A 3 -13.273 1.022 10.222 1.00 0.00 C ATOM 26 CG PRO A 3 -12.276 1.341 11.279 1.00 0.00 C ATOM 27 CD PRO A 3 -13.048 1.423 12.569 1.00 0.00 C ATOM 0 HA PRO A 3 -15.320 0.237 10.513 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.811 0.494 9.388 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.724 1.928 9.816 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.506 0.571 11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.771 2.283 11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.470 1.032 13.406 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.308 2.453 12.814 1.00 0.00 H new ATOM 35 N THR A 4 -14.391 -1.921 9.676 1.00 0.00 N ATOM 36 CA THR A 4 -14.107 -3.320 9.402 1.00 0.00 C ATOM 37 C THR A 4 -13.024 -3.429 8.329 1.00 0.00 C ATOM 38 O THR A 4 -13.313 -3.382 7.133 1.00 0.00 O ATOM 39 CB THR A 4 -15.371 -4.071 8.937 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.531 -3.512 9.571 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.273 -5.551 9.269 1.00 0.00 C ATOM 0 H THR A 4 -14.943 -1.454 8.957 1.00 0.00 H new ATOM 0 HA THR A 4 -13.759 -3.779 10.327 1.00 0.00 H new ATOM 0 HB THR A 4 -15.456 -3.962 7.856 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.331 -3.992 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.176 -6.060 8.932 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.406 -5.980 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.167 -5.676 10.347 1.00 0.00 H new ATOM 49 N ALA A 5 -11.778 -3.558 8.761 1.00 0.00 N ATOM 50 CA ALA A 5 -10.659 -3.652 7.836 1.00 0.00 C ATOM 51 C ALA A 5 -10.306 -5.104 7.541 1.00 0.00 C ATOM 52 O ALA A 5 -9.881 -5.844 8.431 1.00 0.00 O ATOM 53 CB ALA A 5 -9.447 -2.920 8.394 1.00 0.00 C ATOM 0 H ALA A 5 -11.517 -3.600 9.746 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.959 -3.180 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.618 -2.999 7.690 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.695 -1.869 8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -9.159 -3.366 9.346 1.00 0.00 H new ATOM 59 N THR A 6 -10.492 -5.504 6.293 1.00 0.00 N ATOM 60 CA THR A 6 -10.187 -6.860 5.866 1.00 0.00 C ATOM 61 C THR A 6 -9.049 -6.853 4.852 1.00 0.00 C ATOM 62 O THR A 6 -9.177 -6.294 3.760 1.00 0.00 O ATOM 63 CB THR A 6 -11.423 -7.537 5.242 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.518 -6.611 5.191 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.827 -8.768 6.040 1.00 0.00 C ATOM 0 H THR A 6 -10.856 -4.903 5.553 1.00 0.00 H new ATOM 0 HA THR A 6 -9.886 -7.426 6.748 1.00 0.00 H new ATOM 0 HB THR A 6 -11.166 -7.849 4.230 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.301 -5.881 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.701 -9.229 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.003 -9.482 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.066 -8.476 7.063 1.00 0.00 H new ATOM 73 N VAL A 7 -7.926 -7.445 5.221 1.00 0.00 N ATOM 74 CA VAL A 7 -6.773 -7.501 4.332 1.00 0.00 C ATOM 75 C VAL A 7 -6.219 -8.918 4.255 1.00 0.00 C ATOM 76 O VAL A 7 -6.180 -9.632 5.255 1.00 0.00 O ATOM 77 CB VAL A 7 -5.644 -6.545 4.778 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.976 -5.110 4.409 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.388 -6.659 6.274 1.00 0.00 C ATOM 0 H VAL A 7 -7.786 -7.893 6.127 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.124 -7.185 3.350 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.735 -6.838 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.167 -4.455 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.097 -5.031 3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.902 -4.813 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.589 -5.975 6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.297 -6.403 6.819 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.095 -7.681 6.516 1.00 0.00 H new ATOM 89 N THR A 8 -5.796 -9.326 3.067 1.00 0.00 N ATOM 90 CA THR A 8 -5.245 -10.655 2.878 1.00 0.00 C ATOM 91 C THR A 8 -3.737 -10.577 2.666 1.00 0.00 C ATOM 92 O THR A 8 -3.276 -10.309 1.556 1.00 0.00 O ATOM 93 CB THR A 8 -5.898 -11.353 1.676 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.276 -10.971 1.582 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.799 -12.861 1.810 1.00 0.00 C ATOM 0 H THR A 8 -5.825 -8.755 2.222 1.00 0.00 H new ATOM 0 HA THR A 8 -5.454 -11.236 3.776 1.00 0.00 H new ATOM 0 HB THR A 8 -5.370 -11.047 0.773 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.688 -11.418 0.813 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.268 -13.334 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.750 -13.154 1.859 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.308 -13.180 2.720 1.00 0.00 H new ATOM 103 N PRO A 9 -2.949 -10.807 3.729 1.00 0.00 N ATOM 104 CA PRO A 9 -1.488 -10.746 3.658 1.00 0.00 C ATOM 105 C PRO A 9 -0.885 -11.921 2.892 1.00 0.00 C ATOM 106 O PRO A 9 -1.320 -13.063 3.036 1.00 0.00 O ATOM 107 CB PRO A 9 -1.059 -10.784 5.126 1.00 0.00 C ATOM 108 CG PRO A 9 -2.161 -11.499 5.828 1.00 0.00 C ATOM 109 CD PRO A 9 -3.423 -11.155 5.086 1.00 0.00 C ATOM 0 HA PRO A 9 -1.146 -9.861 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.109 -11.305 5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.923 -9.778 5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.990 -12.575 5.827 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.225 -11.188 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.116 -11.996 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.947 -10.321 5.553 1.00 0.00 H new ATOM 117 N SER A 10 0.121 -11.629 2.077 1.00 0.00 N ATOM 118 CA SER A 10 0.798 -12.648 1.282 1.00 0.00 C ATOM 119 C SER A 10 1.978 -13.245 2.049 1.00 0.00 C ATOM 120 O SER A 10 3.002 -13.591 1.462 1.00 0.00 O ATOM 121 CB SER A 10 1.275 -12.028 -0.032 1.00 0.00 C ATOM 122 OG SER A 10 0.282 -11.170 -0.563 1.00 0.00 O ATOM 0 H SER A 10 0.489 -10.686 1.948 1.00 0.00 H new ATOM 0 HA SER A 10 0.097 -13.455 1.070 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.196 -11.469 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.506 -12.815 -0.750 1.00 0.00 H new ATOM 0 HG SER A 10 0.347 -11.160 -1.541 1.00 0.00 H new ATOM 128 N SER A 11 1.819 -13.368 3.360 1.00 0.00 N ATOM 129 CA SER A 11 2.855 -13.910 4.222 1.00 0.00 C ATOM 130 C SER A 11 3.176 -15.357 3.852 1.00 0.00 C ATOM 131 O SER A 11 2.371 -16.260 4.090 1.00 0.00 O ATOM 132 CB SER A 11 2.387 -13.823 5.675 1.00 0.00 C ATOM 133 OG SER A 11 1.538 -12.696 5.854 1.00 0.00 O ATOM 0 H SER A 11 0.969 -13.095 3.853 1.00 0.00 H new ATOM 0 HA SER A 11 3.767 -13.327 4.093 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.855 -14.734 5.948 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.249 -13.746 6.338 1.00 0.00 H new ATOM 0 HG SER A 11 1.244 -12.653 6.788 1.00 0.00 H new ATOM 139 N GLY A 12 4.336 -15.561 3.239 1.00 0.00 N ATOM 140 CA GLY A 12 4.752 -16.894 2.849 1.00 0.00 C ATOM 141 C GLY A 12 4.683 -17.115 1.351 1.00 0.00 C ATOM 142 O GLY A 12 5.153 -18.133 0.843 1.00 0.00 O ATOM 0 H GLY A 12 4.999 -14.822 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.773 -17.066 3.191 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.121 -17.628 3.350 1.00 0.00 H new ATOM 146 N LEU A 13 4.109 -16.162 0.634 1.00 0.00 N ATOM 147 CA LEU A 13 3.979 -16.274 -0.813 1.00 0.00 C ATOM 148 C LEU A 13 5.145 -15.587 -1.515 1.00 0.00 C ATOM 149 O LEU A 13 5.865 -14.797 -0.907 1.00 0.00 O ATOM 150 CB LEU A 13 2.644 -15.689 -1.277 1.00 0.00 C ATOM 151 CG LEU A 13 1.416 -16.535 -0.929 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.141 -15.725 -1.083 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.365 -17.778 -1.802 1.00 0.00 C ATOM 0 H LEU A 13 3.726 -15.303 1.028 1.00 0.00 H new ATOM 0 HA LEU A 13 4.001 -17.331 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.524 -14.700 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.679 -15.553 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 13 1.498 -16.844 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.718 -16.347 -0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.174 -14.864 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.050 -15.382 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.487 -18.369 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.308 -17.484 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.264 -18.373 -1.640 1.00 0.00 H new ATOM 165 N SER A 14 5.338 -15.908 -2.786 1.00 0.00 N ATOM 166 CA SER A 14 6.426 -15.332 -3.566 1.00 0.00 C ATOM 167 C SER A 14 6.039 -13.969 -4.140 1.00 0.00 C ATOM 168 O SER A 14 4.990 -13.416 -3.805 1.00 0.00 O ATOM 169 CB SER A 14 6.812 -16.289 -4.691 1.00 0.00 C ATOM 170 OG SER A 14 6.728 -17.639 -4.259 1.00 0.00 O ATOM 0 H SER A 14 4.754 -16.566 -3.301 1.00 0.00 H new ATOM 0 HA SER A 14 7.280 -15.183 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.154 -16.135 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.826 -16.073 -5.026 1.00 0.00 H new ATOM 0 HG SER A 14 6.978 -18.234 -4.996 1.00 0.00 H new ATOM 176 N ASP A 15 6.891 -13.429 -5.003 1.00 0.00 N ATOM 177 CA ASP A 15 6.631 -12.136 -5.625 1.00 0.00 C ATOM 178 C ASP A 15 5.601 -12.283 -6.739 1.00 0.00 C ATOM 179 O ASP A 15 5.399 -13.376 -7.267 1.00 0.00 O ATOM 180 CB ASP A 15 7.924 -11.529 -6.177 1.00 0.00 C ATOM 181 CG ASP A 15 8.595 -12.412 -7.214 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.301 -13.366 -6.818 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.442 -12.147 -8.424 1.00 0.00 O ATOM 0 H ASP A 15 7.767 -13.866 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 15 6.234 -11.464 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.703 -10.559 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.617 -11.352 -5.354 1.00 0.00 H new ATOM 188 N GLY A 16 4.943 -11.182 -7.083 1.00 0.00 N ATOM 189 CA GLY A 16 3.933 -11.214 -8.126 1.00 0.00 C ATOM 190 C GLY A 16 2.572 -11.595 -7.585 1.00 0.00 C ATOM 191 O GLY A 16 1.601 -11.702 -8.336 1.00 0.00 O ATOM 0 H GLY A 16 5.091 -10.266 -6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.873 -10.236 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.229 -11.926 -8.896 1.00 0.00 H new ATOM 195 N THR A 17 2.507 -11.798 -6.277 1.00 0.00 N ATOM 196 CA THR A 17 1.271 -12.168 -5.615 1.00 0.00 C ATOM 197 C THR A 17 0.314 -10.981 -5.542 1.00 0.00 C ATOM 198 O THR A 17 0.740 -9.824 -5.467 1.00 0.00 O ATOM 199 CB THR A 17 1.559 -12.708 -4.200 1.00 0.00 C ATOM 200 OG1 THR A 17 2.465 -13.814 -4.291 1.00 0.00 O ATOM 201 CG2 THR A 17 0.286 -13.158 -3.498 1.00 0.00 C ATOM 0 H THR A 17 3.307 -11.711 -5.650 1.00 0.00 H new ATOM 0 HA THR A 17 0.796 -12.954 -6.202 1.00 0.00 H new ATOM 0 HB THR A 17 1.999 -11.901 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.283 -13.609 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.531 -13.532 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.398 -12.314 -3.410 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.188 -13.951 -4.077 1.00 0.00 H new ATOM 209 N VAL A 18 -0.976 -11.275 -5.587 1.00 0.00 N ATOM 210 CA VAL A 18 -1.994 -10.248 -5.526 1.00 0.00 C ATOM 211 C VAL A 18 -2.497 -10.075 -4.097 1.00 0.00 C ATOM 212 O VAL A 18 -3.096 -10.988 -3.522 1.00 0.00 O ATOM 213 CB VAL A 18 -3.182 -10.583 -6.447 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.230 -9.483 -6.387 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.711 -10.798 -7.876 1.00 0.00 C ATOM 0 H VAL A 18 -1.340 -12.224 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.539 -9.318 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.636 -11.510 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.062 -9.737 -7.044 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.593 -9.382 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.787 -8.541 -6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.566 -11.033 -8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.228 -9.891 -8.240 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.000 -11.624 -7.904 1.00 0.00 H new ATOM 225 N VAL A 19 -2.246 -8.905 -3.532 1.00 0.00 N ATOM 226 CA VAL A 19 -2.678 -8.595 -2.179 1.00 0.00 C ATOM 227 C VAL A 19 -4.065 -7.970 -2.219 1.00 0.00 C ATOM 228 O VAL A 19 -4.283 -6.981 -2.923 1.00 0.00 O ATOM 229 CB VAL A 19 -1.706 -7.622 -1.480 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.040 -7.504 0.000 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.261 -8.062 -1.674 1.00 0.00 C ATOM 0 H VAL A 19 -1.741 -8.149 -3.994 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.696 -9.526 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.822 -6.639 -1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.344 -6.814 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.057 -7.130 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.958 -8.484 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.404 -7.359 -1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.124 -9.057 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.027 -8.085 -2.738 1.00 0.00 H new ATOM 241 N LYS A 20 -5.003 -8.550 -1.486 1.00 0.00 N ATOM 242 CA LYS A 20 -6.362 -8.036 -1.457 1.00 0.00 C ATOM 243 C LYS A 20 -6.568 -7.111 -0.267 1.00 0.00 C ATOM 244 O LYS A 20 -6.305 -7.486 0.879 1.00 0.00 O ATOM 245 CB LYS A 20 -7.378 -9.181 -1.409 1.00 0.00 C ATOM 246 CG LYS A 20 -8.823 -8.701 -1.353 1.00 0.00 C ATOM 247 CD LYS A 20 -9.793 -9.846 -1.124 1.00 0.00 C ATOM 248 CE LYS A 20 -10.106 -10.582 -2.416 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.179 -11.593 -2.228 1.00 0.00 N ATOM 0 H LYS A 20 -4.848 -9.374 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.519 -7.467 -2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.246 -9.812 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.174 -9.802 -0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.931 -7.969 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.073 -8.194 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.369 -10.543 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.716 -9.460 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.411 -9.865 -3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.204 -11.073 -2.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.365 -12.074 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.877 -12.292 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.047 -11.122 -1.902 1.00 0.00 H new ATOM 263 N VAL A 21 -7.021 -5.901 -0.553 1.00 0.00 N ATOM 264 CA VAL A 21 -7.290 -4.915 0.477 1.00 0.00 C ATOM 265 C VAL A 21 -8.741 -4.450 0.374 1.00 0.00 C ATOM 266 O VAL A 21 -9.114 -3.770 -0.583 1.00 0.00 O ATOM 267 CB VAL A 21 -6.349 -3.697 0.354 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.692 -2.636 1.386 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.898 -4.121 0.504 1.00 0.00 C ATOM 0 H VAL A 21 -7.211 -5.577 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.114 -5.383 1.446 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.488 -3.269 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.014 -1.790 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.718 -2.301 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.590 -3.056 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.252 -3.247 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.752 -4.581 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.647 -4.840 -0.276 1.00 0.00 H new ATOM 279 N ALA A 22 -9.555 -4.837 1.345 1.00 0.00 N ATOM 280 CA ALA A 22 -10.963 -4.465 1.360 1.00 0.00 C ATOM 281 C ALA A 22 -11.342 -3.875 2.712 1.00 0.00 C ATOM 282 O ALA A 22 -11.519 -4.598 3.695 1.00 0.00 O ATOM 283 CB ALA A 22 -11.829 -5.674 1.040 1.00 0.00 C ATOM 0 H ALA A 22 -9.263 -5.411 2.136 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.133 -3.706 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.879 -5.383 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.571 -6.055 0.052 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.658 -6.452 1.784 1.00 0.00 H new ATOM 289 N GLY A 23 -11.460 -2.561 2.763 1.00 0.00 N ATOM 290 CA GLY A 23 -11.796 -1.905 4.004 1.00 0.00 C ATOM 291 C GLY A 23 -13.202 -1.349 4.008 1.00 0.00 C ATOM 292 O GLY A 23 -13.597 -0.641 3.083 1.00 0.00 O ATOM 0 H GLY A 23 -11.329 -1.937 1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.687 -2.613 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.089 -1.095 4.185 1.00 0.00 H new ATOM 296 N ALA A 24 -13.959 -1.682 5.042 1.00 0.00 N ATOM 297 CA ALA A 24 -15.318 -1.193 5.197 1.00 0.00 C ATOM 298 C ALA A 24 -15.389 -0.263 6.399 1.00 0.00 C ATOM 299 O ALA A 24 -14.623 -0.413 7.351 1.00 0.00 O ATOM 300 CB ALA A 24 -16.286 -2.351 5.356 1.00 0.00 C ATOM 0 H ALA A 24 -13.649 -2.297 5.794 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.603 -0.639 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.299 -1.965 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.238 -2.989 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -16.017 -2.932 6.238 1.00 0.00 H new ATOM 306 N GLY A 25 -16.298 0.697 6.357 1.00 0.00 N ATOM 307 CA GLY A 25 -16.424 1.637 7.453 1.00 0.00 C ATOM 308 C GLY A 25 -15.569 2.860 7.222 1.00 0.00 C ATOM 309 O GLY A 25 -15.233 3.593 8.152 1.00 0.00 O ATOM 0 H GLY A 25 -16.950 0.843 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.467 1.934 7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.130 1.155 8.385 1.00 0.00 H new ATOM 313 N LEU A 26 -15.216 3.074 5.966 1.00 0.00 N ATOM 314 CA LEU A 26 -14.399 4.205 5.575 1.00 0.00 C ATOM 315 C LEU A 26 -15.292 5.397 5.281 1.00 0.00 C ATOM 316 O LEU A 26 -16.505 5.347 5.497 1.00 0.00 O ATOM 317 CB LEU A 26 -13.573 3.851 4.333 1.00 0.00 C ATOM 318 CG LEU A 26 -12.771 2.551 4.424 1.00 0.00 C ATOM 319 CD1 LEU A 26 -12.007 2.314 3.134 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.821 2.581 5.612 1.00 0.00 C ATOM 0 H LEU A 26 -15.488 2.469 5.191 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.719 4.456 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.246 3.783 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.883 4.670 4.132 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.469 1.727 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.441 1.386 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.709 2.242 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.322 3.144 2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.262 1.646 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.126 3.414 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.393 2.705 6.532 1.00 0.00 H new ATOM 332 N GLN A 27 -14.696 6.467 4.794 1.00 0.00 N ATOM 333 CA GLN A 27 -15.449 7.659 4.460 1.00 0.00 C ATOM 334 C GLN A 27 -15.919 7.573 3.017 1.00 0.00 C ATOM 335 O GLN A 27 -15.115 7.647 2.088 1.00 0.00 O ATOM 336 CB GLN A 27 -14.603 8.916 4.675 1.00 0.00 C ATOM 337 CG GLN A 27 -15.404 10.207 4.614 1.00 0.00 C ATOM 338 CD GLN A 27 -16.515 10.257 5.642 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.400 9.693 6.728 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.599 10.932 5.304 1.00 0.00 N ATOM 0 H GLN A 27 -13.693 6.535 4.621 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.316 7.725 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.109 8.850 5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.818 8.949 3.919 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.734 11.053 4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.832 10.317 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.654 11.386 4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -18.381 11.000 5.955 1.00 0.00 H new ATOM 349 N ALA A 28 -17.220 7.399 2.841 1.00 0.00 N ATOM 350 CA ALA A 28 -17.813 7.288 1.513 1.00 0.00 C ATOM 351 C ALA A 28 -17.495 8.510 0.658 1.00 0.00 C ATOM 352 O ALA A 28 -17.549 9.643 1.137 1.00 0.00 O ATOM 353 CB ALA A 28 -19.319 7.096 1.624 1.00 0.00 C ATOM 0 H ALA A 28 -17.891 7.331 3.606 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.379 6.417 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.750 7.015 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.529 6.186 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.758 7.950 2.140 1.00 0.00 H new ATOM 359 N GLY A 29 -17.146 8.273 -0.600 1.00 0.00 N ATOM 360 CA GLY A 29 -16.831 9.366 -1.500 1.00 0.00 C ATOM 361 C GLY A 29 -15.440 9.925 -1.278 1.00 0.00 C ATOM 362 O GLY A 29 -15.206 11.118 -1.461 1.00 0.00 O ATOM 0 H GLY A 29 -17.075 7.343 -1.013 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.919 9.020 -2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.563 10.162 -1.368 1.00 0.00 H new ATOM 366 N THR A 30 -14.521 9.069 -0.864 1.00 0.00 N ATOM 367 CA THR A 30 -13.145 9.481 -0.626 1.00 0.00 C ATOM 368 C THR A 30 -12.191 8.510 -1.315 1.00 0.00 C ATOM 369 O THR A 30 -12.491 7.320 -1.429 1.00 0.00 O ATOM 370 CB THR A 30 -12.828 9.542 0.883 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.974 10.015 1.601 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.643 10.460 1.152 1.00 0.00 C ATOM 0 H THR A 30 -14.702 8.081 -0.685 1.00 0.00 H new ATOM 0 HA THR A 30 -13.015 10.482 -1.039 1.00 0.00 H new ATOM 0 HB THR A 30 -12.573 8.538 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.614 9.282 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.439 10.487 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.766 10.086 0.625 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.875 11.466 0.802 1.00 0.00 H new ATOM 380 N ALA A 31 -11.057 9.016 -1.782 1.00 0.00 N ATOM 381 CA ALA A 31 -10.078 8.189 -2.469 1.00 0.00 C ATOM 382 C ALA A 31 -9.019 7.667 -1.509 1.00 0.00 C ATOM 383 O ALA A 31 -8.472 8.414 -0.693 1.00 0.00 O ATOM 384 CB ALA A 31 -9.432 8.968 -3.602 1.00 0.00 C ATOM 0 H ALA A 31 -10.794 9.998 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.600 7.328 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.701 8.337 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.198 9.278 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.933 9.849 -3.199 1.00 0.00 H new ATOM 390 N TYR A 32 -8.754 6.376 -1.605 1.00 0.00 N ATOM 391 CA TYR A 32 -7.761 5.724 -0.775 1.00 0.00 C ATOM 392 C TYR A 32 -6.639 5.193 -1.653 1.00 0.00 C ATOM 393 O TYR A 32 -6.881 4.458 -2.612 1.00 0.00 O ATOM 394 CB TYR A 32 -8.391 4.590 0.041 1.00 0.00 C ATOM 395 CG TYR A 32 -9.278 5.073 1.173 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.508 5.670 0.915 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.884 4.937 2.499 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.316 6.118 1.944 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.686 5.385 3.534 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.901 5.972 3.251 1.00 0.00 C ATOM 401 OH TYR A 32 -11.702 6.424 4.279 1.00 0.00 O ATOM 0 H TYR A 32 -9.222 5.751 -2.261 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.353 6.451 -0.072 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.979 3.958 -0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.597 3.967 0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.838 5.786 -0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.935 4.474 2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.267 6.580 1.725 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.362 5.275 4.558 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.265 6.244 5.138 1.00 0.00 H new ATOM 411 N ASP A 33 -5.419 5.588 -1.337 1.00 0.00 N ATOM 412 CA ASP A 33 -4.252 5.172 -2.101 1.00 0.00 C ATOM 413 C ASP A 33 -3.639 3.923 -1.494 1.00 0.00 C ATOM 414 O ASP A 33 -3.379 3.866 -0.289 1.00 0.00 O ATOM 415 CB ASP A 33 -3.211 6.293 -2.149 1.00 0.00 C ATOM 416 CG ASP A 33 -2.817 6.661 -3.565 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.702 6.678 -4.451 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.622 6.954 -3.795 1.00 0.00 O ATOM 0 H ASP A 33 -5.208 6.202 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.573 4.949 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.608 7.174 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.323 5.983 -1.597 1.00 0.00 H new ATOM 423 N VAL A 34 -3.431 2.917 -2.330 1.00 0.00 N ATOM 424 CA VAL A 34 -2.853 1.659 -1.889 1.00 0.00 C ATOM 425 C VAL A 34 -1.667 1.276 -2.769 1.00 0.00 C ATOM 426 O VAL A 34 -1.784 1.226 -3.997 1.00 0.00 O ATOM 427 CB VAL A 34 -3.895 0.515 -1.922 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.310 -0.770 -1.354 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.157 0.903 -1.163 1.00 0.00 C ATOM 0 H VAL A 34 -3.656 2.949 -3.324 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.518 1.801 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.162 0.340 -2.964 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.062 -1.558 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.444 -1.068 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.004 -0.605 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.872 0.081 -1.202 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.906 1.116 -0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.598 1.790 -1.619 1.00 0.00 H new ATOM 439 N GLY A 35 -0.524 1.038 -2.145 1.00 0.00 N ATOM 440 CA GLY A 35 0.654 0.644 -2.882 1.00 0.00 C ATOM 441 C GLY A 35 1.568 -0.218 -2.042 1.00 0.00 C ATOM 442 O GLY A 35 1.476 -0.206 -0.815 1.00 0.00 O ATOM 0 H GLY A 35 -0.393 1.112 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.359 0.098 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.192 1.532 -3.213 1.00 0.00 H new ATOM 446 N GLN A 36 2.424 -0.993 -2.687 1.00 0.00 N ATOM 447 CA GLN A 36 3.361 -1.831 -1.960 1.00 0.00 C ATOM 448 C GLN A 36 4.546 -0.980 -1.522 1.00 0.00 C ATOM 449 O GLN A 36 5.328 -0.509 -2.347 1.00 0.00 O ATOM 450 CB GLN A 36 3.824 -3.019 -2.811 1.00 0.00 C ATOM 451 CG GLN A 36 4.369 -2.625 -4.175 1.00 0.00 C ATOM 452 CD GLN A 36 5.364 -3.626 -4.725 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.449 -3.831 -5.932 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.140 -4.248 -3.847 1.00 0.00 N ATOM 0 H GLN A 36 2.489 -1.059 -3.703 1.00 0.00 H new ATOM 0 HA GLN A 36 2.864 -2.243 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.595 -3.565 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.986 -3.703 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.540 -2.522 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.847 -1.648 -4.101 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.041 -4.053 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.835 -4.922 -4.168 1.00 0.00 H new ATOM 463 N CYS A 37 4.658 -0.764 -0.227 1.00 0.00 N ATOM 464 CA CYS A 37 5.720 0.060 0.309 1.00 0.00 C ATOM 465 C CYS A 37 6.703 -0.771 1.114 1.00 0.00 C ATOM 466 O CYS A 37 6.323 -1.733 1.773 1.00 0.00 O ATOM 467 CB CYS A 37 5.126 1.168 1.181 1.00 0.00 C ATOM 468 SG CYS A 37 3.496 1.757 0.614 1.00 0.00 S ATOM 0 H CYS A 37 4.025 -1.149 0.474 1.00 0.00 H new ATOM 0 HA CYS A 37 6.262 0.508 -0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.034 0.803 2.204 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.818 2.010 1.204 1.00 0.00 H new ATOM 473 N ALA A 38 7.967 -0.408 1.032 1.00 0.00 N ATOM 474 CA ALA A 38 9.007 -1.099 1.770 1.00 0.00 C ATOM 475 C ALA A 38 9.851 -0.089 2.522 1.00 0.00 C ATOM 476 O ALA A 38 9.707 1.120 2.311 1.00 0.00 O ATOM 477 CB ALA A 38 9.873 -1.928 0.838 1.00 0.00 C ATOM 0 H ALA A 38 8.301 0.366 0.458 1.00 0.00 H new ATOM 0 HA ALA A 38 8.540 -1.778 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.645 -2.436 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.255 -2.667 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.341 -1.276 0.100 1.00 0.00 H new ATOM 483 N TRP A 39 10.716 -0.578 3.398 1.00 0.00 N ATOM 484 CA TRP A 39 11.586 0.294 4.177 1.00 0.00 C ATOM 485 C TRP A 39 12.669 0.897 3.294 1.00 0.00 C ATOM 486 O TRP A 39 13.682 0.257 3.016 1.00 0.00 O ATOM 487 CB TRP A 39 12.239 -0.475 5.327 1.00 0.00 C ATOM 488 CG TRP A 39 11.281 -0.901 6.397 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.869 -2.173 6.665 1.00 0.00 C ATOM 490 CD2 TRP A 39 10.621 -0.056 7.345 1.00 0.00 C ATOM 491 NE1 TRP A 39 9.992 -2.171 7.719 1.00 0.00 N ATOM 492 CE2 TRP A 39 9.821 -0.884 8.153 1.00 0.00 C ATOM 493 CE3 TRP A 39 10.624 1.320 7.588 1.00 0.00 C ATOM 494 CZ2 TRP A 39 9.036 -0.385 9.187 1.00 0.00 C ATOM 495 CZ3 TRP A 39 9.843 1.815 8.615 1.00 0.00 C ATOM 496 CH2 TRP A 39 9.057 0.965 9.404 1.00 0.00 C ATOM 0 H TRP A 39 10.835 -1.573 3.588 1.00 0.00 H new ATOM 0 HA TRP A 39 10.971 1.094 4.589 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.734 -1.359 4.925 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.013 0.149 5.774 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.187 -3.053 6.126 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.540 -2.995 8.115 1.00 0.00 H new ATOM 0 HE3 TRP A 39 11.225 1.984 6.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.432 -1.040 9.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 9.838 2.877 8.813 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.457 1.384 10.198 1.00 0.00 H new ATOM 507 N VAL A 40 12.450 2.123 2.847 1.00 0.00 N ATOM 508 CA VAL A 40 13.420 2.801 2.003 1.00 0.00 C ATOM 509 C VAL A 40 14.492 3.447 2.872 1.00 0.00 C ATOM 510 O VAL A 40 15.629 3.642 2.446 1.00 0.00 O ATOM 511 CB VAL A 40 12.749 3.859 1.093 1.00 0.00 C ATOM 512 CG1 VAL A 40 12.330 5.097 1.877 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.669 4.235 -0.058 1.00 0.00 C ATOM 0 H VAL A 40 11.612 2.667 3.054 1.00 0.00 H new ATOM 0 HA VAL A 40 13.880 2.059 1.351 1.00 0.00 H new ATOM 0 HB VAL A 40 11.843 3.412 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.864 5.815 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.619 4.813 2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.208 5.550 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.180 4.979 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.597 4.647 0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.890 3.348 -0.652 1.00 0.00 H new ATOM 523 N ASP A 41 14.115 3.752 4.106 1.00 0.00 N ATOM 524 CA ASP A 41 15.017 4.360 5.068 1.00 0.00 C ATOM 525 C ASP A 41 14.578 3.961 6.469 1.00 0.00 C ATOM 526 O ASP A 41 13.589 3.241 6.625 1.00 0.00 O ATOM 527 CB ASP A 41 15.016 5.885 4.928 1.00 0.00 C ATOM 528 CG ASP A 41 16.367 6.497 5.235 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.769 6.490 6.417 1.00 0.00 O ATOM 530 OD2 ASP A 41 17.033 6.985 4.296 1.00 0.00 O ATOM 0 H ASP A 41 13.175 3.584 4.466 1.00 0.00 H new ATOM 0 HA ASP A 41 16.032 4.009 4.882 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.721 6.153 3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.268 6.308 5.599 1.00 0.00 H new ATOM 535 N THR A 42 15.293 4.415 7.480 1.00 0.00 N ATOM 536 CA THR A 42 14.942 4.092 8.851 1.00 0.00 C ATOM 537 C THR A 42 13.735 4.912 9.289 1.00 0.00 C ATOM 538 O THR A 42 13.847 6.106 9.558 1.00 0.00 O ATOM 539 CB THR A 42 16.118 4.340 9.813 1.00 0.00 C ATOM 540 OG1 THR A 42 17.319 3.768 9.272 1.00 0.00 O ATOM 541 CG2 THR A 42 15.831 3.728 11.179 1.00 0.00 C ATOM 0 H THR A 42 16.118 5.007 7.380 1.00 0.00 H new ATOM 0 HA THR A 42 14.696 3.031 8.888 1.00 0.00 H new ATOM 0 HB THR A 42 16.248 5.416 9.931 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.064 3.930 9.887 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.674 3.914 11.845 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.931 4.179 11.598 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.683 2.653 11.072 1.00 0.00 H new ATOM 549 N GLY A 43 12.579 4.269 9.331 1.00 0.00 N ATOM 550 CA GLY A 43 11.366 4.953 9.726 1.00 0.00 C ATOM 551 C GLY A 43 10.658 5.595 8.551 1.00 0.00 C ATOM 552 O GLY A 43 9.686 6.327 8.727 1.00 0.00 O ATOM 0 H GLY A 43 12.459 3.283 9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.693 4.245 10.209 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.607 5.718 10.464 1.00 0.00 H new ATOM 556 N VAL A 44 11.145 5.319 7.349 1.00 0.00 N ATOM 557 CA VAL A 44 10.558 5.878 6.139 1.00 0.00 C ATOM 558 C VAL A 44 10.239 4.772 5.141 1.00 0.00 C ATOM 559 O VAL A 44 11.106 3.962 4.796 1.00 0.00 O ATOM 560 CB VAL A 44 11.498 6.907 5.472 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.854 7.508 4.231 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.882 8.004 6.454 1.00 0.00 C ATOM 0 H VAL A 44 11.947 4.710 7.186 1.00 0.00 H new ATOM 0 HA VAL A 44 9.639 6.386 6.432 1.00 0.00 H new ATOM 0 HB VAL A 44 12.404 6.384 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.536 8.229 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.637 6.716 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.927 8.010 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.544 8.717 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.983 8.518 6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.394 7.564 7.310 1.00 0.00 H new ATOM 572 N LEU A 45 8.993 4.732 4.696 1.00 0.00 N ATOM 573 CA LEU A 45 8.552 3.735 3.733 1.00 0.00 C ATOM 574 C LEU A 45 8.510 4.337 2.332 1.00 0.00 C ATOM 575 O LEU A 45 8.629 5.548 2.171 1.00 0.00 O ATOM 576 CB LEU A 45 7.170 3.204 4.124 1.00 0.00 C ATOM 577 CG LEU A 45 7.135 2.386 5.416 1.00 0.00 C ATOM 578 CD1 LEU A 45 5.704 2.143 5.861 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.854 1.062 5.227 1.00 0.00 C ATOM 0 H LEU A 45 8.265 5.383 4.989 1.00 0.00 H new ATOM 0 HA LEU A 45 9.260 2.906 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.489 4.048 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.791 2.586 3.310 1.00 0.00 H new ATOM 0 HG LEU A 45 7.647 2.956 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.703 1.559 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.210 3.099 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.169 1.596 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.819 0.493 6.156 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.367 0.493 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.893 1.248 4.954 1.00 0.00 H new ATOM 591 N ALA A 46 8.365 3.489 1.327 1.00 0.00 N ATOM 592 CA ALA A 46 8.298 3.942 -0.055 1.00 0.00 C ATOM 593 C ALA A 46 7.560 2.924 -0.907 1.00 0.00 C ATOM 594 O ALA A 46 7.901 1.743 -0.895 1.00 0.00 O ATOM 595 CB ALA A 46 9.692 4.181 -0.607 1.00 0.00 C ATOM 0 H ALA A 46 8.291 2.478 1.442 1.00 0.00 H new ATOM 0 HA ALA A 46 7.751 4.884 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.621 4.519 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.194 4.942 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.263 3.253 -0.567 1.00 0.00 H new ATOM 601 N CYS A 47 6.545 3.375 -1.628 1.00 0.00 N ATOM 602 CA CYS A 47 5.756 2.490 -2.479 1.00 0.00 C ATOM 603 C CYS A 47 6.031 2.781 -3.946 1.00 0.00 C ATOM 604 O CYS A 47 6.530 3.856 -4.279 1.00 0.00 O ATOM 605 CB CYS A 47 4.268 2.667 -2.191 1.00 0.00 C ATOM 606 SG CYS A 47 3.913 3.368 -0.549 1.00 0.00 S ATOM 0 H CYS A 47 6.246 4.350 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 47 6.042 1.461 -2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.835 3.315 -2.953 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.774 1.699 -2.277 1.00 0.00 H new ATOM 611 N ASN A 48 5.702 1.836 -4.823 1.00 0.00 N ATOM 612 CA ASN A 48 5.933 2.031 -6.249 1.00 0.00 C ATOM 613 C ASN A 48 4.681 2.576 -6.939 1.00 0.00 C ATOM 614 O ASN A 48 3.566 2.107 -6.706 1.00 0.00 O ATOM 615 CB ASN A 48 6.425 0.731 -6.922 1.00 0.00 C ATOM 616 CG ASN A 48 5.336 -0.294 -7.207 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.376 -0.439 -6.455 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.492 -1.018 -8.309 1.00 0.00 N ATOM 0 H ASN A 48 5.281 0.941 -4.575 1.00 0.00 H new ATOM 0 HA ASN A 48 6.723 2.774 -6.359 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.916 0.988 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.179 0.271 -6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.800 -1.725 -8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.304 -0.867 -8.908 1.00 0.00 H new ATOM 625 N PRO A 49 4.847 3.603 -7.784 1.00 0.00 N ATOM 626 CA PRO A 49 3.736 4.219 -8.512 1.00 0.00 C ATOM 627 C PRO A 49 3.377 3.446 -9.776 1.00 0.00 C ATOM 628 O PRO A 49 2.474 3.830 -10.518 1.00 0.00 O ATOM 629 CB PRO A 49 4.291 5.592 -8.866 1.00 0.00 C ATOM 630 CG PRO A 49 5.751 5.358 -9.054 1.00 0.00 C ATOM 631 CD PRO A 49 6.131 4.262 -8.089 1.00 0.00 C ATOM 0 HA PRO A 49 2.816 4.246 -7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.831 5.986 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.102 6.315 -8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.969 5.065 -10.081 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.319 6.266 -8.854 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.842 3.566 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.598 4.664 -7.190 1.00 0.00 H new ATOM 639 N ALA A 50 4.088 2.349 -10.005 1.00 0.00 N ATOM 640 CA ALA A 50 3.865 1.523 -11.179 1.00 0.00 C ATOM 641 C ALA A 50 2.730 0.533 -10.957 1.00 0.00 C ATOM 642 O ALA A 50 1.919 0.300 -11.851 1.00 0.00 O ATOM 643 CB ALA A 50 5.142 0.784 -11.542 1.00 0.00 C ATOM 0 H ALA A 50 4.827 2.012 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 50 3.579 2.177 -12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.967 0.167 -12.423 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.932 1.505 -11.755 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.445 0.150 -10.709 1.00 0.00 H new ATOM 649 N ASP A 51 2.667 -0.040 -9.764 1.00 0.00 N ATOM 650 CA ASP A 51 1.630 -1.020 -9.451 1.00 0.00 C ATOM 651 C ASP A 51 0.596 -0.448 -8.498 1.00 0.00 C ATOM 652 O ASP A 51 -0.407 -1.100 -8.203 1.00 0.00 O ATOM 653 CB ASP A 51 2.242 -2.286 -8.846 1.00 0.00 C ATOM 654 CG ASP A 51 2.972 -3.128 -9.870 1.00 0.00 C ATOM 655 OD1 ASP A 51 2.308 -3.776 -10.708 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.216 -3.151 -9.847 1.00 0.00 O ATOM 0 H ASP A 51 3.315 0.153 -9.000 1.00 0.00 H new ATOM 0 HA ASP A 51 1.134 -1.275 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.934 -2.006 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.454 -2.882 -8.387 1.00 0.00 H new ATOM 661 N PHE A 52 0.836 0.768 -8.020 1.00 0.00 N ATOM 662 CA PHE A 52 -0.086 1.416 -7.092 1.00 0.00 C ATOM 663 C PHE A 52 -1.464 1.569 -7.736 1.00 0.00 C ATOM 664 O PHE A 52 -1.580 1.740 -8.953 1.00 0.00 O ATOM 665 CB PHE A 52 0.465 2.779 -6.635 1.00 0.00 C ATOM 666 CG PHE A 52 -0.207 3.974 -7.254 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.098 4.369 -8.546 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.140 4.705 -6.537 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.517 5.468 -9.112 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.754 5.806 -7.096 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.443 6.188 -8.385 1.00 0.00 C ATOM 0 H PHE A 52 1.658 1.324 -8.258 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.188 0.786 -6.208 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.370 2.848 -5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.530 2.820 -6.865 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.825 3.811 -9.117 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.389 4.409 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.274 5.764 -10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.478 6.369 -6.525 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.924 7.050 -8.824 1.00 0.00 H new ATOM 681 N SER A 53 -2.502 1.480 -6.923 1.00 0.00 N ATOM 682 CA SER A 53 -3.864 1.603 -7.413 1.00 0.00 C ATOM 683 C SER A 53 -4.716 2.393 -6.429 1.00 0.00 C ATOM 684 O SER A 53 -4.783 2.065 -5.242 1.00 0.00 O ATOM 685 CB SER A 53 -4.469 0.214 -7.641 1.00 0.00 C ATOM 686 OG SER A 53 -3.676 -0.551 -8.539 1.00 0.00 O ATOM 0 H SER A 53 -2.427 1.323 -5.918 1.00 0.00 H new ATOM 0 HA SER A 53 -3.845 2.140 -8.361 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.553 -0.310 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.479 0.315 -8.039 1.00 0.00 H new ATOM 0 HG SER A 53 -4.084 -1.433 -8.666 1.00 0.00 H new ATOM 692 N SER A 54 -5.342 3.448 -6.920 1.00 0.00 N ATOM 693 CA SER A 54 -6.196 4.275 -6.090 1.00 0.00 C ATOM 694 C SER A 54 -7.620 3.737 -6.110 1.00 0.00 C ATOM 695 O SER A 54 -8.207 3.538 -7.176 1.00 0.00 O ATOM 696 CB SER A 54 -6.169 5.722 -6.581 1.00 0.00 C ATOM 697 OG SER A 54 -4.838 6.148 -6.812 1.00 0.00 O ATOM 0 H SER A 54 -5.274 3.752 -7.891 1.00 0.00 H new ATOM 0 HA SER A 54 -5.825 4.249 -5.066 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.749 5.810 -7.500 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.641 6.371 -5.843 1.00 0.00 H new ATOM 0 HG SER A 54 -4.366 6.225 -5.957 1.00 0.00 H new ATOM 703 N VAL A 55 -8.164 3.478 -4.937 1.00 0.00 N ATOM 704 CA VAL A 55 -9.516 2.969 -4.825 1.00 0.00 C ATOM 705 C VAL A 55 -10.411 4.024 -4.189 1.00 0.00 C ATOM 706 O VAL A 55 -9.986 4.741 -3.290 1.00 0.00 O ATOM 707 CB VAL A 55 -9.559 1.657 -4.001 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.091 1.882 -2.568 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.951 1.043 -4.022 1.00 0.00 C ATOM 0 H VAL A 55 -7.688 3.612 -4.045 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.881 2.742 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.870 0.955 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.134 0.941 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.066 2.252 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.738 2.614 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.952 0.124 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.665 1.747 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.234 0.818 -5.050 1.00 0.00 H new ATOM 719 N THR A 56 -11.633 4.140 -4.678 1.00 0.00 N ATOM 720 CA THR A 56 -12.566 5.114 -4.147 1.00 0.00 C ATOM 721 C THR A 56 -13.612 4.428 -3.277 1.00 0.00 C ATOM 722 O THR A 56 -14.121 3.360 -3.627 1.00 0.00 O ATOM 723 CB THR A 56 -13.253 5.920 -5.278 1.00 0.00 C ATOM 724 OG1 THR A 56 -14.185 6.861 -4.729 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.968 5.004 -6.262 1.00 0.00 C ATOM 0 H THR A 56 -12.001 3.572 -5.441 1.00 0.00 H new ATOM 0 HA THR A 56 -11.999 5.816 -3.535 1.00 0.00 H new ATOM 0 HB THR A 56 -12.472 6.457 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.609 7.363 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.438 5.604 -7.041 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.248 4.322 -6.714 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.731 4.430 -5.736 1.00 0.00 H new ATOM 733 N ALA A 57 -13.895 5.017 -2.124 1.00 0.00 N ATOM 734 CA ALA A 57 -14.884 4.460 -1.214 1.00 0.00 C ATOM 735 C ALA A 57 -16.272 4.585 -1.822 1.00 0.00 C ATOM 736 O ALA A 57 -16.686 5.677 -2.228 1.00 0.00 O ATOM 737 CB ALA A 57 -14.822 5.149 0.139 1.00 0.00 C ATOM 0 H ALA A 57 -13.455 5.878 -1.798 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.663 3.404 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.570 4.716 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.831 5.013 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.020 6.214 0.015 1.00 0.00 H new ATOM 743 N ASP A 58 -16.979 3.469 -1.893 1.00 0.00 N ATOM 744 CA ASP A 58 -18.317 3.443 -2.472 1.00 0.00 C ATOM 745 C ASP A 58 -19.339 4.106 -1.558 1.00 0.00 C ATOM 746 O ASP A 58 -18.998 4.623 -0.493 1.00 0.00 O ATOM 747 CB ASP A 58 -18.751 2.007 -2.804 1.00 0.00 C ATOM 748 CG ASP A 58 -18.638 1.037 -1.640 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.905 1.434 -0.487 1.00 0.00 O ATOM 750 OD2 ASP A 58 -18.294 -0.141 -1.882 1.00 0.00 O ATOM 0 H ASP A 58 -16.649 2.565 -1.556 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.274 4.014 -3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.784 2.023 -3.150 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.144 1.638 -3.630 1.00 0.00 H new ATOM 755 N ALA A 59 -20.598 4.072 -1.981 1.00 0.00 N ATOM 756 CA ALA A 59 -21.694 4.675 -1.230 1.00 0.00 C ATOM 757 C ALA A 59 -21.897 4.013 0.132 1.00 0.00 C ATOM 758 O ALA A 59 -22.528 4.588 1.017 1.00 0.00 O ATOM 759 CB ALA A 59 -22.980 4.609 -2.041 1.00 0.00 C ATOM 0 H ALA A 59 -20.887 3.627 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.429 5.716 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.792 5.061 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.848 5.150 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.222 3.568 -2.255 1.00 0.00 H new ATOM 765 N ASN A 60 -21.357 2.816 0.306 1.00 0.00 N ATOM 766 CA ASN A 60 -21.493 2.105 1.572 1.00 0.00 C ATOM 767 C ASN A 60 -20.327 2.429 2.497 1.00 0.00 C ATOM 768 O ASN A 60 -20.349 2.110 3.687 1.00 0.00 O ATOM 769 CB ASN A 60 -21.560 0.591 1.345 1.00 0.00 C ATOM 770 CG ASN A 60 -22.870 0.139 0.727 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.899 0.800 0.862 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.843 -0.997 0.049 1.00 0.00 N ATOM 0 H ASN A 60 -20.824 2.318 -0.407 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.422 2.433 2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.737 0.290 0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.419 0.080 2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.695 -1.353 -0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -21.970 -1.517 -0.041 1.00 0.00 H new ATOM 779 N GLY A 61 -19.312 3.076 1.945 1.00 0.00 N ATOM 780 CA GLY A 61 -18.141 3.422 2.720 1.00 0.00 C ATOM 781 C GLY A 61 -17.145 2.281 2.745 1.00 0.00 C ATOM 782 O GLY A 61 -16.484 2.037 3.754 1.00 0.00 O ATOM 0 H GLY A 61 -19.280 3.369 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.671 4.310 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.437 3.673 3.739 1.00 0.00 H new ATOM 786 N SER A 62 -17.062 1.560 1.636 1.00 0.00 N ATOM 787 CA SER A 62 -16.146 0.438 1.522 1.00 0.00 C ATOM 788 C SER A 62 -15.221 0.624 0.325 1.00 0.00 C ATOM 789 O SER A 62 -15.584 1.278 -0.655 1.00 0.00 O ATOM 790 CB SER A 62 -16.933 -0.868 1.389 1.00 0.00 C ATOM 791 OG SER A 62 -18.329 -0.619 1.276 1.00 0.00 O ATOM 0 H SER A 62 -17.621 1.734 0.801 1.00 0.00 H new ATOM 0 HA SER A 62 -15.535 0.391 2.424 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.587 -1.416 0.513 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.743 -1.500 2.256 1.00 0.00 H new ATOM 0 HG SER A 62 -18.486 0.059 0.586 1.00 0.00 H new ATOM 797 N ALA A 63 -14.025 0.069 0.413 1.00 0.00 N ATOM 798 CA ALA A 63 -13.057 0.171 -0.664 1.00 0.00 C ATOM 799 C ALA A 63 -12.294 -1.138 -0.834 1.00 0.00 C ATOM 800 O ALA A 63 -11.520 -1.532 0.037 1.00 0.00 O ATOM 801 CB ALA A 63 -12.095 1.319 -0.397 1.00 0.00 C ATOM 0 H ALA A 63 -13.700 -0.459 1.223 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.593 0.372 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.373 1.386 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.653 2.253 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.568 1.142 0.541 1.00 0.00 H new ATOM 807 N SER A 64 -12.527 -1.809 -1.953 1.00 0.00 N ATOM 808 CA SER A 64 -11.863 -3.068 -2.250 1.00 0.00 C ATOM 809 C SER A 64 -10.952 -2.897 -3.458 1.00 0.00 C ATOM 810 O SER A 64 -11.369 -2.362 -4.485 1.00 0.00 O ATOM 811 CB SER A 64 -12.901 -4.162 -2.519 1.00 0.00 C ATOM 812 OG SER A 64 -12.318 -5.456 -2.465 1.00 0.00 O ATOM 0 H SER A 64 -13.177 -1.498 -2.675 1.00 0.00 H new ATOM 0 HA SER A 64 -11.261 -3.365 -1.391 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.704 -4.092 -1.785 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.351 -4.005 -3.499 1.00 0.00 H new ATOM 0 HG SER A 64 -13.006 -6.132 -2.639 1.00 0.00 H new ATOM 818 N THR A 65 -9.708 -3.330 -3.328 1.00 0.00 N ATOM 819 CA THR A 65 -8.754 -3.219 -4.412 1.00 0.00 C ATOM 820 C THR A 65 -7.718 -4.343 -4.332 1.00 0.00 C ATOM 821 O THR A 65 -7.626 -5.049 -3.324 1.00 0.00 O ATOM 822 CB THR A 65 -8.063 -1.838 -4.388 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.360 -1.608 -5.613 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.100 -1.717 -3.216 1.00 0.00 C ATOM 0 H THR A 65 -9.338 -3.761 -2.481 1.00 0.00 H new ATOM 0 HA THR A 65 -9.292 -3.315 -5.355 1.00 0.00 H new ATOM 0 HB THR A 65 -8.842 -1.085 -4.271 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.929 -0.728 -5.583 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.632 -0.733 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.646 -1.846 -2.282 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.331 -2.486 -3.296 1.00 0.00 H new ATOM 832 N SER A 66 -6.962 -4.518 -5.404 1.00 0.00 N ATOM 833 CA SER A 66 -5.942 -5.551 -5.467 1.00 0.00 C ATOM 834 C SER A 66 -4.603 -4.946 -5.871 1.00 0.00 C ATOM 835 O SER A 66 -4.510 -4.232 -6.871 1.00 0.00 O ATOM 836 CB SER A 66 -6.364 -6.631 -6.461 1.00 0.00 C ATOM 837 OG SER A 66 -7.713 -7.019 -6.244 1.00 0.00 O ATOM 0 H SER A 66 -7.037 -3.952 -6.249 1.00 0.00 H new ATOM 0 HA SER A 66 -5.830 -6.004 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.247 -6.260 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.711 -7.498 -6.361 1.00 0.00 H new ATOM 0 HG SER A 66 -7.963 -7.710 -6.892 1.00 0.00 H new ATOM 843 N LEU A 67 -3.574 -5.230 -5.091 1.00 0.00 N ATOM 844 CA LEU A 67 -2.246 -4.699 -5.360 1.00 0.00 C ATOM 845 C LEU A 67 -1.252 -5.826 -5.613 1.00 0.00 C ATOM 846 O LEU A 67 -1.239 -6.826 -4.900 1.00 0.00 O ATOM 847 CB LEU A 67 -1.778 -3.843 -4.175 1.00 0.00 C ATOM 848 CG LEU A 67 -1.184 -2.475 -4.533 1.00 0.00 C ATOM 849 CD1 LEU A 67 0.165 -2.632 -5.217 1.00 0.00 C ATOM 850 CD2 LEU A 67 -2.144 -1.694 -5.415 1.00 0.00 C ATOM 0 H LEU A 67 -3.631 -5.826 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.297 -4.080 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.625 -3.687 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.031 -4.407 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.031 -1.917 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.566 -1.648 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.854 -3.149 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.044 -3.212 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.707 -0.726 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.329 -2.251 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.085 -1.544 -4.885 1.00 0.00 H new ATOM 862 N THR A 68 -0.429 -5.662 -6.631 1.00 0.00 N ATOM 863 CA THR A 68 0.576 -6.658 -6.966 1.00 0.00 C ATOM 864 C THR A 68 1.903 -6.307 -6.295 1.00 0.00 C ATOM 865 O THR A 68 2.416 -5.203 -6.463 1.00 0.00 O ATOM 866 CB THR A 68 0.778 -6.751 -8.490 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.489 -6.614 -9.156 1.00 0.00 O ATOM 868 CG2 THR A 68 1.413 -8.081 -8.871 1.00 0.00 C ATOM 0 H THR A 68 -0.435 -4.846 -7.243 1.00 0.00 H new ATOM 0 HA THR A 68 0.227 -7.625 -6.604 1.00 0.00 H new ATOM 0 HB THR A 68 1.445 -5.946 -8.799 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.357 -6.672 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.546 -8.124 -9.952 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.383 -8.175 -8.382 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.766 -8.898 -8.552 1.00 0.00 H new ATOM 876 N VAL A 69 2.450 -7.240 -5.528 1.00 0.00 N ATOM 877 CA VAL A 69 3.706 -7.005 -4.829 1.00 0.00 C ATOM 878 C VAL A 69 4.910 -7.519 -5.624 1.00 0.00 C ATOM 879 O VAL A 69 5.018 -8.710 -5.931 1.00 0.00 O ATOM 880 CB VAL A 69 3.692 -7.629 -3.411 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.355 -9.115 -3.458 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.020 -7.403 -2.698 1.00 0.00 C ATOM 0 H VAL A 69 2.046 -8.164 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 69 3.808 -5.924 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 69 2.909 -7.126 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.354 -9.520 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.370 -9.251 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.100 -9.638 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.981 -7.852 -1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.824 -7.863 -3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.206 -6.333 -2.605 1.00 0.00 H new ATOM 892 N ARG A 70 5.796 -6.601 -5.979 1.00 0.00 N ATOM 893 CA ARG A 70 7.006 -6.933 -6.718 1.00 0.00 C ATOM 894 C ARG A 70 8.158 -7.178 -5.751 1.00 0.00 C ATOM 895 O ARG A 70 8.058 -6.863 -4.564 1.00 0.00 O ATOM 896 CB ARG A 70 7.384 -5.801 -7.683 1.00 0.00 C ATOM 897 CG ARG A 70 6.232 -5.314 -8.543 1.00 0.00 C ATOM 898 CD ARG A 70 5.662 -6.430 -9.400 1.00 0.00 C ATOM 899 NE ARG A 70 4.502 -5.985 -10.165 1.00 0.00 N ATOM 900 CZ ARG A 70 3.865 -6.742 -11.053 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.312 -7.962 -11.326 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.786 -6.271 -11.671 1.00 0.00 N ATOM 0 H ARG A 70 5.698 -5.609 -5.764 1.00 0.00 H new ATOM 0 HA ARG A 70 6.813 -7.838 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.775 -4.962 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.189 -6.144 -8.332 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.447 -4.908 -7.905 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.574 -4.501 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.430 -6.793 -10.083 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.378 -7.269 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 70 4.160 -5.037 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.144 -8.318 -10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.824 -8.543 -12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.449 -5.331 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.295 -6.850 -12.353 1.00 0.00 H new ATOM 916 N ARG A 71 9.245 -7.742 -6.255 1.00 0.00 N ATOM 917 CA ARG A 71 10.413 -8.014 -5.431 1.00 0.00 C ATOM 918 C ARG A 71 11.310 -6.780 -5.387 1.00 0.00 C ATOM 919 O ARG A 71 11.880 -6.443 -4.349 1.00 0.00 O ATOM 920 CB ARG A 71 11.183 -9.219 -5.979 1.00 0.00 C ATOM 921 CG ARG A 71 12.165 -9.820 -4.985 1.00 0.00 C ATOM 922 CD ARG A 71 11.468 -10.687 -3.944 1.00 0.00 C ATOM 923 NE ARG A 71 10.978 -11.940 -4.520 1.00 0.00 N ATOM 924 CZ ARG A 71 10.994 -13.115 -3.892 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.474 -13.211 -2.654 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.523 -14.191 -4.503 1.00 0.00 N ATOM 0 H ARG A 71 9.343 -8.020 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 71 10.087 -8.250 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.471 -9.987 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.726 -8.916 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.902 -10.419 -5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.709 -9.019 -4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.161 -10.907 -3.131 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.634 -10.135 -3.511 1.00 0.00 H new ATOM 0 HE ARG A 71 10.599 -11.912 -5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.833 -12.382 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.483 -14.114 -2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.150 -14.118 -5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.533 -15.093 -4.027 1.00 0.00 H new ATOM 940 N SER A 72 11.420 -6.116 -6.527 1.00 0.00 N ATOM 941 CA SER A 72 12.216 -4.906 -6.653 1.00 0.00 C ATOM 942 C SER A 72 11.374 -3.831 -7.333 1.00 0.00 C ATOM 943 O SER A 72 10.734 -4.095 -8.354 1.00 0.00 O ATOM 944 CB SER A 72 13.482 -5.192 -7.461 1.00 0.00 C ATOM 945 OG SER A 72 13.876 -6.552 -7.329 1.00 0.00 O ATOM 0 H SER A 72 10.959 -6.401 -7.391 1.00 0.00 H new ATOM 0 HA SER A 72 12.518 -4.556 -5.666 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.307 -4.961 -8.512 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.288 -4.542 -7.122 1.00 0.00 H new ATOM 0 HG SER A 72 14.687 -6.710 -7.856 1.00 0.00 H new ATOM 951 N PHE A 73 11.361 -2.626 -6.782 1.00 0.00 N ATOM 952 CA PHE A 73 10.551 -1.554 -7.353 1.00 0.00 C ATOM 953 C PHE A 73 11.105 -0.173 -7.037 1.00 0.00 C ATOM 954 O PHE A 73 12.072 -0.031 -6.292 1.00 0.00 O ATOM 955 CB PHE A 73 9.110 -1.662 -6.839 1.00 0.00 C ATOM 956 CG PHE A 73 8.991 -1.612 -5.339 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.871 -0.400 -4.674 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.997 -2.778 -4.595 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.759 -0.355 -3.300 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.888 -2.740 -3.219 1.00 0.00 C ATOM 961 CZ PHE A 73 8.768 -1.527 -2.571 1.00 0.00 C ATOM 0 H PHE A 73 11.893 -2.366 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 73 10.575 -1.674 -8.436 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.520 -0.852 -7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.676 -2.596 -7.197 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.865 0.520 -5.240 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.088 -3.730 -5.097 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.664 0.595 -2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.897 -3.658 -2.650 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.681 -1.495 -1.495 1.00 0.00 H new ATOM 971 N GLU A 74 10.475 0.839 -7.615 1.00 0.00 N ATOM 972 CA GLU A 74 10.863 2.225 -7.419 1.00 0.00 C ATOM 973 C GLU A 74 10.096 2.812 -6.242 1.00 0.00 C ATOM 974 O GLU A 74 8.876 2.941 -6.293 1.00 0.00 O ATOM 975 CB GLU A 74 10.575 3.041 -8.685 1.00 0.00 C ATOM 976 CG GLU A 74 10.525 2.217 -9.966 1.00 0.00 C ATOM 977 CD GLU A 74 9.149 1.642 -10.244 1.00 0.00 C ATOM 978 OE1 GLU A 74 8.773 0.633 -9.605 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.440 2.183 -11.115 1.00 0.00 O ATOM 0 H GLU A 74 9.675 0.719 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 74 11.932 2.266 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.623 3.557 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.342 3.808 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.829 2.842 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.246 1.403 -9.897 1.00 0.00 H new ATOM 986 N GLY A 75 10.810 3.162 -5.189 1.00 0.00 N ATOM 987 CA GLY A 75 10.170 3.711 -4.014 1.00 0.00 C ATOM 988 C GLY A 75 9.909 5.197 -4.126 1.00 0.00 C ATOM 989 O GLY A 75 10.807 5.976 -4.467 1.00 0.00 O ATOM 0 H GLY A 75 11.824 3.076 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.226 3.193 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.797 3.522 -3.143 1.00 0.00 H new ATOM 993 N PHE A 76 8.681 5.596 -3.828 1.00 0.00 N ATOM 994 CA PHE A 76 8.289 6.995 -3.893 1.00 0.00 C ATOM 995 C PHE A 76 7.724 7.422 -2.550 1.00 0.00 C ATOM 996 O PHE A 76 7.153 6.602 -1.833 1.00 0.00 O ATOM 997 CB PHE A 76 7.233 7.207 -4.983 1.00 0.00 C ATOM 998 CG PHE A 76 7.787 7.388 -6.371 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.685 6.478 -6.908 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.390 8.464 -7.143 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.176 6.641 -8.187 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.875 8.630 -8.425 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.770 7.717 -8.947 1.00 0.00 C ATOM 0 H PHE A 76 7.935 4.965 -3.537 1.00 0.00 H new ATOM 0 HA PHE A 76 9.166 7.596 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.557 6.352 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.638 8.084 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 76 9.004 5.631 -6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.693 9.183 -6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.877 5.927 -8.592 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.555 9.473 -9.019 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.151 7.846 -9.949 1.00 0.00 H new ATOM 1013 N LEU A 77 7.905 8.688 -2.199 1.00 0.00 N ATOM 1014 CA LEU A 77 7.379 9.202 -0.945 1.00 0.00 C ATOM 1015 C LEU A 77 5.876 9.421 -1.072 1.00 0.00 C ATOM 1016 O LEU A 77 5.330 9.363 -2.173 1.00 0.00 O ATOM 1017 CB LEU A 77 8.064 10.517 -0.557 1.00 0.00 C ATOM 1018 CG LEU A 77 9.588 10.469 -0.466 1.00 0.00 C ATOM 1019 CD1 LEU A 77 10.111 11.760 0.136 1.00 0.00 C ATOM 1020 CD2 LEU A 77 10.052 9.274 0.355 1.00 0.00 C ATOM 0 H LEU A 77 8.409 9.373 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 77 7.579 8.470 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.786 11.279 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.671 10.839 0.407 1.00 0.00 H new ATOM 0 HG LEU A 77 9.988 10.357 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.198 11.718 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.815 12.600 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.696 11.890 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.141 9.266 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.645 9.346 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.702 8.354 -0.113 1.00 0.00 H new ATOM 1032 N PHE A 78 5.217 9.699 0.044 1.00 0.00 N ATOM 1033 CA PHE A 78 3.774 9.918 0.045 1.00 0.00 C ATOM 1034 C PHE A 78 3.418 11.141 -0.793 1.00 0.00 C ATOM 1035 O PHE A 78 2.349 11.203 -1.403 1.00 0.00 O ATOM 1036 CB PHE A 78 3.263 10.098 1.474 1.00 0.00 C ATOM 1037 CG PHE A 78 1.791 9.836 1.623 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.316 8.541 1.746 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.885 10.884 1.639 1.00 0.00 C ATOM 1040 CE1 PHE A 78 -0.035 8.296 1.882 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -0.469 10.643 1.773 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.929 9.348 1.895 1.00 0.00 C ATOM 0 H PHE A 78 5.657 9.779 0.961 1.00 0.00 H new ATOM 0 HA PHE A 78 3.295 9.042 -0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.812 9.427 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.478 11.115 1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.010 7.714 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.241 11.900 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.393 7.282 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.166 11.468 1.782 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.987 9.158 2.001 1.00 0.00 H new ATOM 1052 N ASP A 79 4.326 12.110 -0.823 1.00 0.00 N ATOM 1053 CA ASP A 79 4.114 13.334 -1.589 1.00 0.00 C ATOM 1054 C ASP A 79 4.362 13.090 -3.078 1.00 0.00 C ATOM 1055 O ASP A 79 3.819 13.794 -3.929 1.00 0.00 O ATOM 1056 CB ASP A 79 5.020 14.460 -1.074 1.00 0.00 C ATOM 1057 CG ASP A 79 6.350 14.526 -1.794 1.00 0.00 C ATOM 1058 OD1 ASP A 79 7.206 13.651 -1.554 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.555 15.462 -2.596 1.00 0.00 O ATOM 0 H ASP A 79 5.216 12.072 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 79 3.076 13.640 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.504 15.414 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.197 14.317 -0.008 1.00 0.00 H new ATOM 1064 N GLY A 80 5.172 12.080 -3.387 1.00 0.00 N ATOM 1065 CA GLY A 80 5.468 11.770 -4.774 1.00 0.00 C ATOM 1066 C GLY A 80 6.944 11.864 -5.112 1.00 0.00 C ATOM 1067 O GLY A 80 7.345 11.567 -6.238 1.00 0.00 O ATOM 0 H GLY A 80 5.626 11.474 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.116 10.763 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.912 12.452 -5.417 1.00 0.00 H new ATOM 1071 N THR A 81 7.759 12.281 -4.154 1.00 0.00 N ATOM 1072 CA THR A 81 9.196 12.391 -4.385 1.00 0.00 C ATOM 1073 C THR A 81 9.830 11.006 -4.512 1.00 0.00 C ATOM 1074 O THR A 81 9.661 10.158 -3.640 1.00 0.00 O ATOM 1075 CB THR A 81 9.885 13.169 -3.250 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.221 14.422 -3.049 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.353 13.415 -3.561 1.00 0.00 C ATOM 0 H THR A 81 7.456 12.547 -3.217 1.00 0.00 H new ATOM 0 HA THR A 81 9.336 12.937 -5.318 1.00 0.00 H new ATOM 0 HB THR A 81 9.824 12.568 -2.343 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.699 14.387 -2.220 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.811 13.967 -2.740 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.863 12.460 -3.686 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.438 13.995 -4.480 1.00 0.00 H new ATOM 1085 N ARG A 82 10.546 10.779 -5.603 1.00 0.00 N ATOM 1086 CA ARG A 82 11.200 9.500 -5.824 1.00 0.00 C ATOM 1087 C ARG A 82 12.462 9.403 -4.977 1.00 0.00 C ATOM 1088 O ARG A 82 13.272 10.331 -4.958 1.00 0.00 O ATOM 1089 CB ARG A 82 11.544 9.318 -7.307 1.00 0.00 C ATOM 1090 CG ARG A 82 12.384 10.446 -7.892 1.00 0.00 C ATOM 1091 CD ARG A 82 13.655 9.920 -8.531 1.00 0.00 C ATOM 1092 NE ARG A 82 14.644 9.492 -7.534 1.00 0.00 N ATOM 1093 CZ ARG A 82 15.587 8.573 -7.764 1.00 0.00 C ATOM 1094 NH1 ARG A 82 15.656 7.967 -8.942 1.00 0.00 N ATOM 1095 NH2 ARG A 82 16.461 8.259 -6.812 1.00 0.00 N ATOM 0 H ARG A 82 10.688 11.462 -6.347 1.00 0.00 H new ATOM 0 HA ARG A 82 10.514 8.706 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.080 8.377 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.618 9.235 -7.876 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.800 10.988 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.638 11.157 -7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.411 9.080 -9.182 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.090 10.696 -9.161 1.00 0.00 H new ATOM 0 HE ARG A 82 14.609 9.922 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.988 8.202 -9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.377 7.266 -9.114 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.413 8.720 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.179 7.557 -6.991 1.00 0.00 H new ATOM 1109 N TRP A 83 12.623 8.296 -4.269 1.00 0.00 N ATOM 1110 CA TRP A 83 13.796 8.113 -3.424 1.00 0.00 C ATOM 1111 C TRP A 83 14.804 7.171 -4.073 1.00 0.00 C ATOM 1112 O TRP A 83 16.012 7.297 -3.863 1.00 0.00 O ATOM 1113 CB TRP A 83 13.390 7.593 -2.046 1.00 0.00 C ATOM 1114 CG TRP A 83 14.105 8.295 -0.930 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.899 7.728 0.026 1.00 0.00 C ATOM 1116 CD2 TRP A 83 14.099 9.705 -0.665 1.00 0.00 C ATOM 1117 NE1 TRP A 83 15.383 8.698 0.873 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.910 9.920 0.466 1.00 0.00 C ATOM 1119 CE3 TRP A 83 13.494 10.809 -1.276 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 15.122 11.191 1.001 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 13.707 12.068 -0.745 1.00 0.00 C ATOM 1122 CH2 TRP A 83 14.516 12.250 0.382 1.00 0.00 C ATOM 0 H TRP A 83 11.965 7.517 -4.261 1.00 0.00 H new ATOM 0 HA TRP A 83 14.274 9.085 -3.303 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.315 7.716 -1.918 1.00 0.00 H new ATOM 0 HB3 TRP A 83 13.597 6.524 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 83 15.115 6.673 0.105 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.994 8.535 1.673 1.00 0.00 H new ATOM 0 HE3 TRP A 83 12.871 10.680 -2.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 15.743 11.334 1.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 13.241 12.925 -1.208 1.00 0.00 H new ATOM 0 HH2 TRP A 83 14.665 13.246 0.771 1.00 0.00 H new ATOM 1133 N GLY A 84 14.312 6.237 -4.864 1.00 0.00 N ATOM 1134 CA GLY A 84 15.195 5.302 -5.527 1.00 0.00 C ATOM 1135 C GLY A 84 14.623 3.908 -5.584 1.00 0.00 C ATOM 1136 O GLY A 84 13.475 3.686 -5.207 1.00 0.00 O ATOM 0 H GLY A 84 13.320 6.107 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.394 5.651 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.151 5.278 -5.005 1.00 0.00 H new ATOM 1140 N THR A 85 15.423 2.969 -6.060 1.00 0.00 N ATOM 1141 CA THR A 85 14.999 1.587 -6.173 1.00 0.00 C ATOM 1142 C THR A 85 15.062 0.887 -4.817 1.00 0.00 C ATOM 1143 O THR A 85 16.017 1.062 -4.058 1.00 0.00 O ATOM 1144 CB THR A 85 15.875 0.827 -7.186 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.255 1.704 -8.258 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.137 -0.378 -7.753 1.00 0.00 C ATOM 0 H THR A 85 16.377 3.143 -6.376 1.00 0.00 H new ATOM 0 HA THR A 85 13.967 1.586 -6.525 1.00 0.00 H new ATOM 0 HB THR A 85 16.765 0.474 -6.666 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.813 1.215 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.779 -0.896 -8.465 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.873 -1.057 -6.942 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.230 -0.045 -8.258 1.00 0.00 H new ATOM 1154 N VAL A 86 14.028 0.121 -4.509 1.00 0.00 N ATOM 1155 CA VAL A 86 13.958 -0.616 -3.256 1.00 0.00 C ATOM 1156 C VAL A 86 13.941 -2.113 -3.537 1.00 0.00 C ATOM 1157 O VAL A 86 13.323 -2.563 -4.507 1.00 0.00 O ATOM 1158 CB VAL A 86 12.707 -0.238 -2.434 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.838 -0.723 -0.998 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.474 1.263 -2.462 1.00 0.00 C ATOM 0 H VAL A 86 13.218 -0.008 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 86 14.839 -0.352 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 86 11.847 -0.729 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.945 -0.446 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.950 -1.807 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.713 -0.264 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.587 1.505 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.339 1.773 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.328 1.589 -3.492 1.00 0.00 H new ATOM 1170 N ASP A 87 14.616 -2.873 -2.690 1.00 0.00 N ATOM 1171 CA ASP A 87 14.701 -4.320 -2.847 1.00 0.00 C ATOM 1172 C ASP A 87 14.083 -5.031 -1.648 1.00 0.00 C ATOM 1173 O ASP A 87 14.528 -4.846 -0.514 1.00 0.00 O ATOM 1174 CB ASP A 87 16.170 -4.736 -3.004 1.00 0.00 C ATOM 1175 CG ASP A 87 16.371 -6.238 -2.992 1.00 0.00 C ATOM 1176 OD1 ASP A 87 16.485 -6.825 -1.894 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.429 -6.840 -4.079 1.00 0.00 O ATOM 0 H ASP A 87 15.118 -2.510 -1.879 1.00 0.00 H new ATOM 0 HA ASP A 87 14.145 -4.608 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.557 -4.332 -3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.755 -4.291 -2.199 1.00 0.00 H new ATOM 1182 N CYS A 88 13.061 -5.837 -1.895 1.00 0.00 N ATOM 1183 CA CYS A 88 12.405 -6.581 -0.829 1.00 0.00 C ATOM 1184 C CYS A 88 12.903 -8.023 -0.805 1.00 0.00 C ATOM 1185 O CYS A 88 12.279 -8.902 -0.210 1.00 0.00 O ATOM 1186 CB CYS A 88 10.883 -6.541 -0.988 1.00 0.00 C ATOM 1187 SG CYS A 88 10.156 -4.896 -0.677 1.00 0.00 S ATOM 0 H CYS A 88 12.668 -5.993 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 88 12.657 -6.109 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.624 -6.858 -1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.436 -7.261 -0.303 1.00 0.00 H new ATOM 1192 N THR A 89 14.032 -8.258 -1.466 1.00 0.00 N ATOM 1193 CA THR A 89 14.634 -9.581 -1.509 1.00 0.00 C ATOM 1194 C THR A 89 15.514 -9.776 -0.285 1.00 0.00 C ATOM 1195 O THR A 89 15.496 -10.828 0.349 1.00 0.00 O ATOM 1196 CB THR A 89 15.481 -9.776 -2.781 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.922 -9.019 -3.862 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.542 -11.245 -3.170 1.00 0.00 C ATOM 0 H THR A 89 14.548 -7.544 -1.980 1.00 0.00 H new ATOM 0 HA THR A 89 13.830 -10.317 -1.519 1.00 0.00 H new ATOM 0 HB THR A 89 16.492 -9.426 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.562 -8.333 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.145 -11.358 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 89 15.991 -11.818 -2.358 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.534 -11.613 -3.360 1.00 0.00 H new ATOM 1206 N THR A 90 16.285 -8.750 0.040 1.00 0.00 N ATOM 1207 CA THR A 90 17.156 -8.794 1.202 1.00 0.00 C ATOM 1208 C THR A 90 16.525 -8.011 2.351 1.00 0.00 C ATOM 1209 O THR A 90 16.956 -8.102 3.504 1.00 0.00 O ATOM 1210 CB THR A 90 18.559 -8.222 0.882 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.472 -8.524 1.944 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.499 -6.716 0.675 1.00 0.00 C ATOM 0 H THR A 90 16.325 -7.877 -0.485 1.00 0.00 H new ATOM 0 HA THR A 90 17.278 -9.837 1.492 1.00 0.00 H new ATOM 0 HB THR A 90 18.909 -8.687 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.023 -8.401 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.497 -6.339 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.831 -6.489 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.125 -6.239 1.581 1.00 0.00 H new ATOM 1220 N ALA A 91 15.486 -7.252 2.029 1.00 0.00 N ATOM 1221 CA ALA A 91 14.795 -6.446 3.022 1.00 0.00 C ATOM 1222 C ALA A 91 13.352 -6.902 3.182 1.00 0.00 C ATOM 1223 O ALA A 91 12.917 -7.854 2.526 1.00 0.00 O ATOM 1224 CB ALA A 91 14.849 -4.976 2.637 1.00 0.00 C ATOM 0 H ALA A 91 15.104 -7.179 1.086 1.00 0.00 H new ATOM 0 HA ALA A 91 15.299 -6.576 3.980 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.328 -4.384 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.888 -4.653 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.369 -4.836 1.668 1.00 0.00 H new ATOM 1230 N ALA A 92 12.618 -6.225 4.053 1.00 0.00 N ATOM 1231 CA ALA A 92 11.224 -6.555 4.301 1.00 0.00 C ATOM 1232 C ALA A 92 10.306 -5.708 3.432 1.00 0.00 C ATOM 1233 O ALA A 92 10.666 -4.601 3.030 1.00 0.00 O ATOM 1234 CB ALA A 92 10.886 -6.365 5.771 1.00 0.00 C ATOM 0 H ALA A 92 12.968 -5.440 4.602 1.00 0.00 H new ATOM 0 HA ALA A 92 11.070 -7.602 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.839 -6.616 5.939 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.517 -7.016 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.060 -5.327 6.053 1.00 0.00 H new ATOM 1240 N CYS A 93 9.120 -6.231 3.154 1.00 0.00 N ATOM 1241 CA CYS A 93 8.143 -5.540 2.326 1.00 0.00 C ATOM 1242 C CYS A 93 6.803 -5.487 3.057 1.00 0.00 C ATOM 1243 O CYS A 93 6.481 -6.392 3.827 1.00 0.00 O ATOM 1244 CB CYS A 93 7.992 -6.276 0.988 1.00 0.00 C ATOM 1245 SG CYS A 93 8.156 -5.224 -0.494 1.00 0.00 S ATOM 0 H CYS A 93 8.810 -7.141 3.494 1.00 0.00 H new ATOM 0 HA CYS A 93 8.480 -4.522 2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.741 -7.066 0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.016 -6.760 0.965 1.00 0.00 H new ATOM 1250 N GLN A 94 6.029 -4.433 2.840 1.00 0.00 N ATOM 1251 CA GLN A 94 4.730 -4.308 3.490 1.00 0.00 C ATOM 1252 C GLN A 94 3.711 -3.659 2.556 1.00 0.00 C ATOM 1253 O GLN A 94 4.034 -3.272 1.432 1.00 0.00 O ATOM 1254 CB GLN A 94 4.838 -3.518 4.804 1.00 0.00 C ATOM 1255 CG GLN A 94 5.605 -2.211 4.697 1.00 0.00 C ATOM 1256 CD GLN A 94 7.037 -2.340 5.180 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.950 -2.607 4.402 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.242 -2.162 6.475 1.00 0.00 N ATOM 0 H GLN A 94 6.274 -3.658 2.224 1.00 0.00 H new ATOM 0 HA GLN A 94 4.384 -5.314 3.729 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.833 -3.305 5.168 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.321 -4.147 5.552 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.603 -1.876 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.095 -1.445 5.281 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.459 -1.941 7.090 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.183 -2.245 6.858 1.00 0.00 H new ATOM 1267 N VAL A 95 2.473 -3.559 3.020 1.00 0.00 N ATOM 1268 CA VAL A 95 1.405 -2.965 2.226 1.00 0.00 C ATOM 1269 C VAL A 95 0.974 -1.631 2.820 1.00 0.00 C ATOM 1270 O VAL A 95 0.600 -1.557 3.992 1.00 0.00 O ATOM 1271 CB VAL A 95 0.175 -3.900 2.131 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.804 -3.407 1.071 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.607 -5.331 1.839 1.00 0.00 C ATOM 0 H VAL A 95 2.183 -3.882 3.943 1.00 0.00 H new ATOM 0 HA VAL A 95 1.801 -2.809 1.223 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.334 -3.886 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.659 -4.081 1.024 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.146 -2.405 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.308 -3.382 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.273 -5.971 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.147 -5.362 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.257 -5.685 2.639 1.00 0.00 H new ATOM 1283 N GLY A 96 1.038 -0.581 2.013 1.00 0.00 N ATOM 1284 CA GLY A 96 0.644 0.733 2.470 1.00 0.00 C ATOM 1285 C GLY A 96 -0.691 1.164 1.895 1.00 0.00 C ATOM 1286 O GLY A 96 -0.896 1.123 0.680 1.00 0.00 O ATOM 0 H GLY A 96 1.358 -0.618 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.586 0.735 3.558 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.409 1.457 2.190 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.601 1.570 2.770 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.924 2.009 2.356 1.00 0.00 C ATOM 1292 C LEU A 97 -3.419 3.129 3.264 1.00 0.00 C ATOM 1293 O LEU A 97 -3.336 3.024 4.486 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.910 0.835 2.383 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.963 0.056 3.700 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.390 -0.041 4.212 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.361 -1.329 3.523 1.00 0.00 C ATOM 0 H LEU A 97 -1.444 1.604 3.777 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.858 2.387 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.908 1.215 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.649 0.144 1.581 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.373 0.596 4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.403 -0.599 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.785 0.961 4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.007 -0.555 3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.407 -1.869 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.922 -1.876 2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.322 -1.236 3.208 1.00 0.00 H new ATOM 1309 N SER A 98 -3.912 4.202 2.662 1.00 0.00 N ATOM 1310 CA SER A 98 -4.414 5.341 3.420 1.00 0.00 C ATOM 1311 C SER A 98 -5.302 6.216 2.541 1.00 0.00 C ATOM 1312 O SER A 98 -5.347 6.039 1.325 1.00 0.00 O ATOM 1313 CB SER A 98 -3.247 6.160 3.973 1.00 0.00 C ATOM 1314 OG SER A 98 -2.223 6.295 3.005 1.00 0.00 O ATOM 0 H SER A 98 -3.975 4.308 1.650 1.00 0.00 H new ATOM 0 HA SER A 98 -5.010 4.969 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.600 7.146 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.849 5.677 4.865 1.00 0.00 H new ATOM 0 HG SER A 98 -1.922 7.227 2.975 1.00 0.00 H new ATOM 1320 N ASP A 99 -6.010 7.150 3.160 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.897 8.052 2.431 1.00 0.00 C ATOM 1322 C ASP A 99 -6.113 9.210 1.813 1.00 0.00 C ATOM 1323 O ASP A 99 -4.880 9.187 1.771 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.989 8.592 3.364 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.536 9.787 4.183 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.677 9.621 5.068 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -8.041 10.901 3.945 1.00 0.00 O ATOM 0 H ASP A 99 -5.989 7.305 4.168 1.00 0.00 H new ATOM 0 HA ASP A 99 -7.366 7.488 1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.858 8.875 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.308 7.797 4.038 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.837 10.214 1.329 1.00 0.00 N ATOM 1333 CA ALA A 100 -6.225 11.387 0.720 1.00 0.00 C ATOM 1334 C ALA A 100 -5.300 12.105 1.700 1.00 0.00 C ATOM 1335 O ALA A 100 -4.218 12.555 1.324 1.00 0.00 O ATOM 1336 CB ALA A 100 -7.302 12.338 0.217 1.00 0.00 C ATOM 0 H ALA A 100 -7.857 10.237 1.348 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.621 11.052 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.833 13.211 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.918 11.830 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.927 12.654 1.052 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.725 12.205 2.955 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.928 12.871 3.978 1.00 0.00 C ATOM 1344 C ALA A 101 -3.751 12.000 4.401 1.00 0.00 C ATOM 1345 O ALA A 101 -2.642 12.493 4.623 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.790 13.228 5.179 1.00 0.00 C ATOM 0 H ALA A 101 -6.615 11.834 3.287 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.531 13.793 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.178 13.724 5.932 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.592 13.896 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.219 12.320 5.602 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.994 10.702 4.516 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.941 9.792 4.902 1.00 0.00 C ATOM 1354 C GLY A 102 -3.259 9.045 6.182 1.00 0.00 C ATOM 1355 O GLY A 102 -2.353 8.670 6.926 1.00 0.00 O ATOM 0 H GLY A 102 -4.901 10.266 4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.773 9.075 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -2.013 10.349 5.031 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.539 8.838 6.447 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.964 8.128 7.644 1.00 0.00 C ATOM 1361 C ASN A 103 -5.733 6.872 7.262 1.00 0.00 C ATOM 1362 O ASN A 103 -6.050 6.665 6.088 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.837 9.027 8.530 1.00 0.00 C ATOM 1364 CG ASN A 103 -5.099 10.250 9.037 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.303 10.168 9.973 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -5.370 11.401 8.437 1.00 0.00 N ATOM 0 H ASN A 103 -5.303 9.152 5.849 1.00 0.00 H new ATOM 0 HA ASN A 103 -4.075 7.846 8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -6.713 9.346 7.965 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.199 8.449 9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.913 12.258 8.748 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.036 11.429 7.665 1.00 0.00 H new ATOM 1373 N GLY A 104 -6.019 6.036 8.247 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.750 4.813 7.992 1.00 0.00 C ATOM 1375 C GLY A 104 -6.187 3.649 8.774 1.00 0.00 C ATOM 1376 O GLY A 104 -5.561 3.854 9.818 1.00 0.00 O ATOM 0 H GLY A 104 -5.757 6.183 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.798 4.955 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.717 4.585 6.927 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.397 2.410 8.300 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.894 1.206 8.969 1.00 0.00 C ATOM 1382 C PRO A 105 -4.368 1.136 8.948 1.00 0.00 C ATOM 1383 O PRO A 105 -3.719 1.773 8.115 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.489 0.049 8.153 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.567 0.661 7.323 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.142 2.080 7.079 1.00 0.00 C ATOM 0 HA PRO A 105 -6.176 1.183 10.022 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.730 -0.421 7.527 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.889 -0.727 8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.690 0.123 6.383 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.526 0.624 7.839 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.519 2.168 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.998 2.740 6.936 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.803 0.364 9.864 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.354 0.222 9.963 1.00 0.00 C ATOM 1396 C GLU A 106 -1.793 -0.609 8.812 1.00 0.00 C ATOM 1397 O GLU A 106 -2.483 -1.460 8.247 1.00 0.00 O ATOM 1398 CB GLU A 106 -1.973 -0.424 11.295 1.00 0.00 C ATOM 1399 CG GLU A 106 -2.108 0.508 12.486 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.491 -0.066 13.741 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -0.282 0.149 13.962 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -2.211 -0.735 14.511 1.00 0.00 O ATOM 0 H GLU A 106 -4.326 -0.177 10.553 1.00 0.00 H new ATOM 0 HA GLU A 106 -1.922 1.221 9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.602 -1.300 11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.943 -0.777 11.236 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.632 1.461 12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -3.163 0.714 12.665 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.535 -0.362 8.475 1.00 0.00 N ATOM 1410 CA GLY A 107 0.103 -1.096 7.402 1.00 0.00 C ATOM 1411 C GLY A 107 0.600 -2.446 7.872 1.00 0.00 C ATOM 1412 O GLY A 107 1.316 -2.536 8.872 1.00 0.00 O ATOM 0 H GLY A 107 0.056 0.336 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.603 -1.232 6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.938 -0.516 7.010 1.00 0.00 H new ATOM 1416 N VAL A 108 0.215 -3.499 7.166 1.00 0.00 N ATOM 1417 CA VAL A 108 0.625 -4.848 7.526 1.00 0.00 C ATOM 1418 C VAL A 108 1.839 -5.267 6.710 1.00 0.00 C ATOM 1419 O VAL A 108 1.878 -5.071 5.492 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.513 -5.873 7.310 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.162 -7.215 7.939 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.830 -5.341 7.862 1.00 0.00 C ATOM 0 H VAL A 108 -0.381 -3.445 6.340 1.00 0.00 H new ATOM 0 HA VAL A 108 0.877 -4.835 8.586 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.633 -6.026 6.237 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.978 -7.919 7.774 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.750 -7.603 7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.006 -7.085 9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.617 -6.078 7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.726 -5.150 8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.090 -4.414 7.352 1.00 0.00 H new ATOM 1432 N ALA A 109 2.829 -5.827 7.390 1.00 0.00 N ATOM 1433 CA ALA A 109 4.049 -6.277 6.738 1.00 0.00 C ATOM 1434 C ALA A 109 3.893 -7.704 6.239 1.00 0.00 C ATOM 1435 O ALA A 109 3.106 -8.479 6.787 1.00 0.00 O ATOM 1436 CB ALA A 109 5.231 -6.164 7.687 1.00 0.00 C ATOM 0 H ALA A 109 2.810 -5.981 8.398 1.00 0.00 H new ATOM 0 HA ALA A 109 4.238 -5.635 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.136 -6.505 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.355 -5.125 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.051 -6.781 8.567 1.00 0.00 H new ATOM 1442 N ILE A 110 4.622 -8.041 5.188 1.00 0.00 N ATOM 1443 CA ILE A 110 4.563 -9.373 4.617 1.00 0.00 C ATOM 1444 C ILE A 110 5.963 -9.909 4.368 1.00 0.00 C ATOM 1445 O ILE A 110 6.941 -9.158 4.392 1.00 0.00 O ATOM 1446 CB ILE A 110 3.769 -9.399 3.294 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.177 -8.227 2.392 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.274 -9.370 3.577 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.608 -8.304 0.994 1.00 0.00 C ATOM 0 H ILE A 110 5.264 -7.406 4.712 1.00 0.00 H new ATOM 0 HA ILE A 110 4.048 -10.005 5.340 1.00 0.00 H new ATOM 0 HB ILE A 110 4.003 -10.324 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.853 -7.295 2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.265 -8.191 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.725 -9.389 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.000 -10.240 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.025 -8.461 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.941 -7.441 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.953 -9.218 0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.519 -8.309 1.044 1.00 0.00 H new ATOM 1461 N SER A 111 6.054 -11.206 4.145 1.00 0.00 N ATOM 1462 CA SER A 111 7.330 -11.851 3.889 1.00 0.00 C ATOM 1463 C SER A 111 7.172 -12.907 2.805 1.00 0.00 C ATOM 1464 O SER A 111 6.115 -13.531 2.694 1.00 0.00 O ATOM 1465 CB SER A 111 7.858 -12.497 5.171 1.00 0.00 C ATOM 1466 OG SER A 111 7.738 -11.621 6.280 1.00 0.00 O ATOM 0 H SER A 111 5.254 -11.839 4.136 1.00 0.00 H new ATOM 0 HA SER A 111 8.043 -11.099 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.307 -13.416 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.903 -12.775 5.036 1.00 0.00 H new ATOM 0 HG SER A 111 8.082 -12.063 7.084 1.00 0.00 H new ATOM 1472 N PHE A 112 8.213 -13.099 2.006 1.00 0.00 N ATOM 1473 CA PHE A 112 8.179 -14.086 0.940 1.00 0.00 C ATOM 1474 C PHE A 112 8.717 -15.415 1.455 1.00 0.00 C ATOM 1475 O PHE A 112 9.260 -15.479 2.562 1.00 0.00 O ATOM 1476 CB PHE A 112 9.009 -13.619 -0.259 1.00 0.00 C ATOM 1477 CG PHE A 112 8.627 -12.257 -0.777 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.475 -12.083 -1.528 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.425 -11.154 -0.517 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.126 -10.835 -2.008 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.080 -9.903 -0.994 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.929 -9.743 -1.741 1.00 0.00 C ATOM 0 H PHE A 112 9.090 -12.584 2.077 1.00 0.00 H new ATOM 0 HA PHE A 112 7.146 -14.212 0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.062 -13.606 0.024 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.904 -14.345 -1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.843 -12.933 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.327 -11.273 0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.226 -10.713 -2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.710 -9.052 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.658 -8.767 -2.115 1.00 0.00 H new ATOM 1492 N ASN A 113 8.561 -16.473 0.675 1.00 0.00 N ATOM 1493 CA ASN A 113 9.059 -17.776 1.084 1.00 0.00 C ATOM 1494 C ASN A 113 10.545 -17.889 0.777 1.00 0.00 C ATOM 1495 O ASN A 113 11.285 -18.441 1.616 1.00 0.00 O ATOM 1496 CB ASN A 113 8.289 -18.918 0.410 1.00 0.00 C ATOM 1497 CG ASN A 113 8.132 -18.747 -1.090 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.049 -19.023 -1.867 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.952 -18.322 -1.508 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.972 -17.414 -0.298 1.00 0.00 O ATOM 0 H ASN A 113 8.099 -16.456 -0.234 1.00 0.00 H new ATOM 0 HA ASN A 113 8.905 -17.866 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.804 -19.858 0.607 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.301 -18.995 0.863 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.774 -18.212 -2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.220 -18.104 -0.832 1.00 0.00 H new TER 1507 ASN A 113 HETATM 1508 O1 FLN A 114 4.180 6.375 4.150 1.00 20.00 O HETATM 1509 C8A FLN A 114 5.264 7.206 3.907 1.00 20.00 C HETATM 1510 C4A FLN A 114 5.924 7.220 2.667 1.00 20.00 C HETATM 1511 C4 FLN A 114 5.437 6.315 1.587 1.00 20.00 C HETATM 1512 C3 FLN A 114 4.293 5.467 1.916 1.00 20.00 C HETATM 1513 C2 FLN A 114 3.719 5.522 3.147 1.00 20.00 C HETATM 1514 C1' FLN A 114 2.554 4.763 3.722 1.00 20.00 C HETATM 1515 C2' FLN A 114 1.245 5.064 3.333 1.00 20.00 C HETATM 1516 C3' FLN A 114 0.178 4.349 3.880 1.00 20.00 C HETATM 1517 C4' FLN A 114 0.352 3.321 4.819 1.00 20.00 C HETATM 1518 C5' FLN A 114 1.678 3.054 5.178 1.00 20.00 C HETATM 1519 C6' FLN A 114 2.761 3.749 4.651 1.00 20.00 C HETATM 1520 O4 FLN A 114 5.981 6.289 0.480 1.00 20.00 O HETATM 1521 C5 FLN A 114 7.026 8.094 2.482 1.00 20.00 C HETATM 1522 C6 FLN A 114 7.437 8.929 3.535 1.00 20.00 C HETATM 1523 C7 FLN A 114 6.750 8.886 4.767 1.00 20.00 C HETATM 1524 C8 FLN A 114 5.665 8.029 4.956 1.00 20.00 C HETATM 0 H8 FLN A 114 5.139 8.004 5.911 1.00 20.00 H new HETATM 0 H7 FLN A 114 7.072 9.532 5.584 1.00 20.00 H new HETATM 0 H6' FLN A 114 3.774 3.499 4.967 1.00 20.00 H new HETATM 0 H6 FLN A 114 8.281 9.606 3.401 1.00 20.00 H new HETATM 0 H5' FLN A 114 1.871 2.265 5.904 1.00 20.00 H new HETATM 0 H5 FLN A 114 7.552 8.118 1.527 1.00 20.00 H new HETATM 0 H4' FLN A 114 -0.488 2.768 5.240 1.00 20.00 H new HETATM 0 H3' FLN A 114 -0.834 4.600 3.564 1.00 20.00 H new HETATM 0 H3 FLN A 114 3.896 4.783 1.166 1.00 20.00 H new HETATM 0 H2' FLN A 114 1.058 5.854 2.605 1.00 20.00 H new