USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0939 USER MOD Single : A 3 SER OG : rot 32:sc= 1.16 USER MOD Single : A 5 SER OG : rot -120:sc= -0.101 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= -2.38! USER MOD Single : A 28 HIS :FLIP no HD1:sc= -1.95 F(o=-3.1,f=-1.9) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.588 F(o=-1.1,f=-0.59) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.32) USER MOD Single : A 40 SER OG : rot -56:sc= 0.862 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 140:sc= -0.346 USER MOD Single : A 46 SER OG : rot 180:sc= -0.247 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 48 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.45) USER MOD Single : A 49 GLN : amide:sc= -0.346 X(o=-0.35,f=-0.11) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.076 -14.746 -13.813 1.00 0.00 N ATOM 2 CA GLY A 1 -4.890 -14.982 -12.394 1.00 0.00 C ATOM 3 C GLY A 1 -4.281 -16.341 -12.108 1.00 0.00 C ATOM 4 O GLY A 1 -4.673 -17.343 -12.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.495 -13.805 -13.956 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.156 -14.793 -14.296 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.711 -15.471 -14.205 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.247 -14.205 -11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.851 -14.904 -11.887 1.00 0.00 H new ATOM 8 N SER A 2 -3.320 -16.377 -11.191 1.00 0.00 N ATOM 9 CA SER A 2 -2.652 -17.621 -10.830 1.00 0.00 C ATOM 10 C SER A 2 -1.724 -17.414 -9.637 1.00 0.00 C ATOM 11 O SER A 2 -1.357 -16.287 -9.311 1.00 0.00 O ATOM 12 CB SER A 2 -1.859 -18.163 -12.021 1.00 0.00 C ATOM 13 OG SER A 2 -1.220 -19.384 -11.695 1.00 0.00 O ATOM 0 H SER A 2 -2.986 -15.557 -10.684 1.00 0.00 H new ATOM 0 HA SER A 2 -3.416 -18.347 -10.551 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.528 -18.314 -12.869 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.114 -17.430 -12.329 1.00 0.00 H new ATOM 0 HG SER A 2 -0.721 -19.710 -12.473 1.00 0.00 H new ATOM 19 N SER A 3 -1.349 -18.514 -8.990 1.00 0.00 N ATOM 20 CA SER A 3 -0.466 -18.454 -7.831 1.00 0.00 C ATOM 21 C SER A 3 -0.076 -19.855 -7.373 1.00 0.00 C ATOM 22 O SER A 3 -0.613 -20.851 -7.856 1.00 0.00 O ATOM 23 CB SER A 3 -1.144 -17.700 -6.686 1.00 0.00 C ATOM 24 OG SER A 3 -0.922 -16.304 -6.792 1.00 0.00 O ATOM 0 H SER A 3 -1.643 -19.456 -9.249 1.00 0.00 H new ATOM 0 HA SER A 3 0.439 -17.921 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.215 -17.903 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.761 -18.061 -5.732 1.00 0.00 H new ATOM 0 HG SER A 3 -0.860 -16.053 -7.737 1.00 0.00 H new ATOM 30 N GLY A 4 0.864 -19.924 -6.435 1.00 0.00 N ATOM 31 CA GLY A 4 1.311 -21.208 -5.925 1.00 0.00 C ATOM 32 C GLY A 4 2.810 -21.391 -6.049 1.00 0.00 C ATOM 33 O GLY A 4 3.397 -21.080 -7.086 1.00 0.00 O ATOM 0 H GLY A 4 1.324 -19.114 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.022 -21.300 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.805 -22.007 -6.467 1.00 0.00 H new ATOM 37 N SER A 5 3.433 -21.896 -4.989 1.00 0.00 N ATOM 38 CA SER A 5 4.874 -22.114 -4.982 1.00 0.00 C ATOM 39 C SER A 5 5.311 -22.817 -3.700 1.00 0.00 C ATOM 40 O SER A 5 4.528 -22.960 -2.760 1.00 0.00 O ATOM 41 CB SER A 5 5.614 -20.783 -5.125 1.00 0.00 C ATOM 42 OG SER A 5 6.932 -20.981 -5.605 1.00 0.00 O ATOM 0 H SER A 5 2.962 -22.162 -4.124 1.00 0.00 H new ATOM 0 HA SER A 5 5.124 -22.753 -5.829 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.069 -20.132 -5.808 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.647 -20.276 -4.160 1.00 0.00 H new ATOM 0 HG SER A 5 7.574 -20.632 -4.952 1.00 0.00 H new ATOM 48 N SER A 6 6.566 -23.254 -3.669 1.00 0.00 N ATOM 49 CA SER A 6 7.107 -23.944 -2.504 1.00 0.00 C ATOM 50 C SER A 6 8.200 -23.114 -1.839 1.00 0.00 C ATOM 51 O SER A 6 8.854 -22.296 -2.484 1.00 0.00 O ATOM 52 CB SER A 6 7.664 -25.310 -2.910 1.00 0.00 C ATOM 53 OG SER A 6 8.855 -25.171 -3.666 1.00 0.00 O ATOM 0 H SER A 6 7.227 -23.142 -4.438 1.00 0.00 H new ATOM 0 HA SER A 6 6.298 -24.086 -1.788 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.863 -25.905 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.920 -25.851 -3.494 1.00 0.00 H new ATOM 0 HG SER A 6 9.192 -26.058 -3.912 1.00 0.00 H new ATOM 59 N GLY A 7 8.391 -23.330 -0.541 1.00 0.00 N ATOM 60 CA GLY A 7 9.405 -22.594 0.192 1.00 0.00 C ATOM 61 C GLY A 7 9.553 -21.167 -0.297 1.00 0.00 C ATOM 62 O GLY A 7 8.799 -20.274 0.090 1.00 0.00 O ATOM 0 H GLY A 7 7.862 -24.001 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.150 -22.587 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.362 -23.108 0.098 1.00 0.00 H new ATOM 66 N PRO A 8 10.547 -20.937 -1.168 1.00 0.00 N ATOM 67 CA PRO A 8 10.816 -19.609 -1.729 1.00 0.00 C ATOM 68 C PRO A 8 9.729 -19.158 -2.698 1.00 0.00 C ATOM 69 O PRO A 8 9.343 -19.901 -3.602 1.00 0.00 O ATOM 70 CB PRO A 8 12.145 -19.798 -2.464 1.00 0.00 C ATOM 71 CG PRO A 8 12.192 -21.249 -2.797 1.00 0.00 C ATOM 72 CD PRO A 8 11.484 -21.955 -1.673 1.00 0.00 C ATOM 0 HA PRO A 8 10.846 -18.839 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.191 -19.184 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.988 -19.508 -1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.703 -21.446 -3.751 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.221 -21.595 -2.888 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.961 -22.845 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.181 -22.279 -0.900 1.00 0.00 H new ATOM 80 N LEU A 9 9.240 -17.939 -2.507 1.00 0.00 N ATOM 81 CA LEU A 9 8.197 -17.388 -3.365 1.00 0.00 C ATOM 82 C LEU A 9 8.804 -16.595 -4.518 1.00 0.00 C ATOM 83 O LEU A 9 9.814 -15.907 -4.367 1.00 0.00 O ATOM 84 CB LEU A 9 7.260 -16.494 -2.553 1.00 0.00 C ATOM 85 CG LEU A 9 7.870 -15.202 -2.007 1.00 0.00 C ATOM 86 CD1 LEU A 9 7.742 -14.080 -3.023 1.00 0.00 C ATOM 87 CD2 LEU A 9 7.206 -14.813 -0.693 1.00 0.00 C ATOM 0 H LEU A 9 9.549 -17.312 -1.764 1.00 0.00 H new ATOM 0 HA LEU A 9 7.626 -18.218 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.407 -16.233 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.875 -17.073 -1.714 1.00 0.00 H new ATOM 0 HG LEU A 9 8.930 -15.374 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.182 -13.169 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.264 -14.357 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.689 -13.907 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.652 -13.892 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.139 -14.660 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.351 -15.609 0.037 1.00 0.00 H new ATOM 99 N PRO A 10 8.174 -16.688 -5.699 1.00 0.00 N ATOM 100 CA PRO A 10 8.632 -15.984 -6.899 1.00 0.00 C ATOM 101 C PRO A 10 8.429 -14.475 -6.800 1.00 0.00 C ATOM 102 O PRO A 10 8.064 -13.958 -5.744 1.00 0.00 O ATOM 103 CB PRO A 10 7.757 -16.570 -8.010 1.00 0.00 C ATOM 104 CG PRO A 10 6.524 -17.035 -7.315 1.00 0.00 C ATOM 105 CD PRO A 10 6.965 -17.490 -5.951 1.00 0.00 C ATOM 0 HA PRO A 10 9.701 -16.116 -7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 10 7.526 -15.822 -8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 10 8.260 -17.393 -8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.791 -16.231 -7.241 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.050 -17.849 -7.864 1.00 0.00 H new ATOM 0 HD2 PRO A 10 6.198 -17.307 -5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.181 -18.558 -5.934 1.00 0.00 H new ATOM 113 N ILE A 11 8.666 -13.777 -7.905 1.00 0.00 N ATOM 114 CA ILE A 11 8.506 -12.329 -7.942 1.00 0.00 C ATOM 115 C ILE A 11 7.204 -11.902 -7.273 1.00 0.00 C ATOM 116 O ILE A 11 6.229 -12.654 -7.220 1.00 0.00 O ATOM 117 CB ILE A 11 8.528 -11.797 -9.387 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.521 -12.559 -10.250 1.00 0.00 C ATOM 119 CG2 ILE A 11 9.928 -11.909 -9.972 1.00 0.00 C ATOM 120 CD1 ILE A 11 7.047 -11.780 -11.456 1.00 0.00 C ATOM 0 H ILE A 11 8.969 -14.191 -8.787 1.00 0.00 H new ATOM 0 HA ILE A 11 9.348 -11.904 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 11 8.244 -10.745 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.975 -13.492 -10.585 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.659 -12.826 -9.638 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.927 -11.529 -10.994 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.622 -11.325 -9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.239 -12.954 -9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.335 -12.382 -12.021 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.564 -10.860 -11.128 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.900 -11.536 -12.090 1.00 0.00 H new ATOM 132 N PRO A 12 7.182 -10.666 -6.754 1.00 0.00 N ATOM 133 CA PRO A 12 6.004 -10.111 -6.082 1.00 0.00 C ATOM 134 C PRO A 12 4.863 -9.827 -7.053 1.00 0.00 C ATOM 135 O PRO A 12 5.076 -9.460 -8.209 1.00 0.00 O ATOM 136 CB PRO A 12 6.526 -8.806 -5.474 1.00 0.00 C ATOM 137 CG PRO A 12 7.683 -8.424 -6.330 1.00 0.00 C ATOM 138 CD PRO A 12 8.307 -9.716 -6.781 1.00 0.00 C ATOM 0 HA PRO A 12 5.588 -10.803 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.758 -8.032 -5.479 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.831 -8.947 -4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.358 -7.829 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.398 -7.819 -5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.735 -9.628 -7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.112 -10.027 -6.115 1.00 0.00 H new ATOM 146 N PRO A 13 3.622 -9.999 -6.575 1.00 0.00 N ATOM 147 CA PRO A 13 2.423 -9.765 -7.385 1.00 0.00 C ATOM 148 C PRO A 13 2.206 -8.287 -7.689 1.00 0.00 C ATOM 149 O PRO A 13 2.836 -7.409 -7.099 1.00 0.00 O ATOM 150 CB PRO A 13 1.291 -10.302 -6.505 1.00 0.00 C ATOM 151 CG PRO A 13 1.811 -10.199 -5.113 1.00 0.00 C ATOM 152 CD PRO A 13 3.294 -10.434 -5.207 1.00 0.00 C ATOM 0 HA PRO A 13 2.490 -10.247 -8.360 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.380 -9.717 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.046 -11.333 -6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.597 -9.218 -4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 13 1.339 -10.937 -4.464 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.840 -9.858 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.546 -11.482 -5.047 1.00 0.00 H new ATOM 160 N PRO A 14 1.294 -8.003 -8.629 1.00 0.00 N ATOM 161 CA PRO A 14 0.973 -6.630 -9.031 1.00 0.00 C ATOM 162 C PRO A 14 0.230 -5.865 -7.941 1.00 0.00 C ATOM 163 O PRO A 14 -0.223 -6.436 -6.948 1.00 0.00 O ATOM 164 CB PRO A 14 0.075 -6.819 -10.257 1.00 0.00 C ATOM 165 CG PRO A 14 -0.533 -8.168 -10.076 1.00 0.00 C ATOM 166 CD PRO A 14 0.505 -8.999 -9.373 1.00 0.00 C ATOM 0 HA PRO A 14 1.870 -6.044 -9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.690 -6.044 -10.311 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.650 -6.765 -11.181 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.449 -8.108 -9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.800 -8.608 -11.037 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.049 -9.730 -8.706 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.122 -9.553 -10.080 1.00 0.00 H new ATOM 174 N PRO A 15 0.100 -4.543 -8.128 1.00 0.00 N ATOM 175 CA PRO A 15 -0.589 -3.672 -7.171 1.00 0.00 C ATOM 176 C PRO A 15 -2.094 -3.916 -7.144 1.00 0.00 C ATOM 177 O PRO A 15 -2.711 -4.250 -8.156 1.00 0.00 O ATOM 178 CB PRO A 15 -0.284 -2.265 -7.689 1.00 0.00 C ATOM 179 CG PRO A 15 -0.026 -2.445 -9.145 1.00 0.00 C ATOM 180 CD PRO A 15 0.615 -3.797 -9.289 1.00 0.00 C ATOM 0 HA PRO A 15 -0.255 -3.846 -6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.122 -1.589 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.581 -1.836 -7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.953 -2.390 -9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.628 -1.661 -9.525 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.339 -4.275 -10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.703 -3.730 -9.273 1.00 0.00 H new ATOM 188 N PRO A 16 -2.701 -3.745 -5.960 1.00 0.00 N ATOM 189 CA PRO A 16 -4.142 -3.941 -5.775 1.00 0.00 C ATOM 190 C PRO A 16 -4.967 -2.859 -6.464 1.00 0.00 C ATOM 191 O PRO A 16 -4.430 -1.845 -6.911 1.00 0.00 O ATOM 192 CB PRO A 16 -4.317 -3.860 -4.256 1.00 0.00 C ATOM 193 CG PRO A 16 -3.169 -3.036 -3.785 1.00 0.00 C ATOM 194 CD PRO A 16 -2.027 -3.348 -4.713 1.00 0.00 C ATOM 0 HA PRO A 16 -4.485 -4.880 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.269 -3.400 -3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.305 -4.851 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.414 -1.974 -3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.912 -3.279 -2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.382 -2.482 -4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.399 -4.149 -4.323 1.00 0.00 H new ATOM 202 N ASP A 17 -6.274 -3.082 -6.546 1.00 0.00 N ATOM 203 CA ASP A 17 -7.174 -2.126 -7.180 1.00 0.00 C ATOM 204 C ASP A 17 -7.988 -1.370 -6.135 1.00 0.00 C ATOM 205 O ASP A 17 -8.810 -1.958 -5.431 1.00 0.00 O ATOM 206 CB ASP A 17 -8.110 -2.842 -8.154 1.00 0.00 C ATOM 207 CG ASP A 17 -8.738 -1.894 -9.158 1.00 0.00 C ATOM 208 OD1 ASP A 17 -8.183 -0.795 -9.362 1.00 0.00 O ATOM 209 OD2 ASP A 17 -9.785 -2.252 -9.737 1.00 0.00 O ATOM 0 H ASP A 17 -6.734 -3.916 -6.181 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.569 -1.407 -7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.554 -3.614 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.897 -3.346 -7.593 1.00 0.00 H new ATOM 214 N ILE A 18 -7.756 -0.066 -6.039 1.00 0.00 N ATOM 215 CA ILE A 18 -8.467 0.769 -5.080 1.00 0.00 C ATOM 216 C ILE A 18 -9.733 1.358 -5.695 1.00 0.00 C ATOM 217 O ILE A 18 -10.571 1.921 -4.994 1.00 0.00 O ATOM 218 CB ILE A 18 -7.580 1.916 -4.564 1.00 0.00 C ATOM 219 CG1 ILE A 18 -6.124 1.457 -4.460 1.00 0.00 C ATOM 220 CG2 ILE A 18 -8.082 2.409 -3.215 1.00 0.00 C ATOM 221 CD1 ILE A 18 -5.923 0.292 -3.516 1.00 0.00 C ATOM 0 H ILE A 18 -7.080 0.436 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.738 0.125 -4.243 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.632 2.742 -5.273 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.768 1.176 -5.451 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.511 2.294 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.444 3.220 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.105 2.770 -3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.057 1.590 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.868 0.021 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.247 0.575 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.509 -0.560 -3.860 1.00 0.00 H new ATOM 233 N GLN A 19 -9.863 1.220 -7.011 1.00 0.00 N ATOM 234 CA GLN A 19 -11.026 1.737 -7.722 1.00 0.00 C ATOM 235 C GLN A 19 -12.318 1.231 -7.090 1.00 0.00 C ATOM 236 O GLN A 19 -13.266 1.984 -6.866 1.00 0.00 O ATOM 237 CB GLN A 19 -10.972 1.332 -9.195 1.00 0.00 C ATOM 238 CG GLN A 19 -10.309 2.370 -10.088 1.00 0.00 C ATOM 239 CD GLN A 19 -10.801 2.307 -11.520 1.00 0.00 C ATOM 240 OE1 GLN A 19 -11.199 3.319 -12.097 1.00 0.00 O ATOM 241 NE2 GLN A 19 -10.773 1.114 -12.104 1.00 0.00 N ATOM 0 H GLN A 19 -9.177 0.755 -7.606 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.010 2.825 -7.652 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.432 0.390 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.986 1.153 -9.551 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.500 3.365 -9.686 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.229 2.221 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.435 0.301 -11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.089 1.011 -13.068 1.00 0.00 H new ATOM 250 N PRO A 20 -12.360 -0.077 -6.794 1.00 0.00 N ATOM 251 CA PRO A 20 -13.532 -0.713 -6.185 1.00 0.00 C ATOM 252 C PRO A 20 -14.058 0.068 -4.986 1.00 0.00 C ATOM 253 O PRO A 20 -15.264 0.275 -4.846 1.00 0.00 O ATOM 254 CB PRO A 20 -13.003 -2.080 -5.741 1.00 0.00 C ATOM 255 CG PRO A 20 -11.860 -2.358 -6.656 1.00 0.00 C ATOM 256 CD PRO A 20 -11.268 -1.035 -7.033 1.00 0.00 C ATOM 0 HA PRO A 20 -14.371 -0.769 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.681 -2.061 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.772 -2.848 -5.823 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.117 -2.987 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.197 -2.896 -7.542 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.392 -0.802 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.947 -1.023 -8.075 1.00 0.00 H new ATOM 264 N LEU A 21 -13.146 0.502 -4.122 1.00 0.00 N ATOM 265 CA LEU A 21 -13.518 1.263 -2.934 1.00 0.00 C ATOM 266 C LEU A 21 -13.741 2.732 -3.276 1.00 0.00 C ATOM 267 O LEU A 21 -14.615 3.386 -2.708 1.00 0.00 O ATOM 268 CB LEU A 21 -12.434 1.135 -1.862 1.00 0.00 C ATOM 269 CG LEU A 21 -11.893 -0.275 -1.620 1.00 0.00 C ATOM 270 CD1 LEU A 21 -10.443 -0.219 -1.163 1.00 0.00 C ATOM 271 CD2 LEU A 21 -12.749 -1.006 -0.595 1.00 0.00 C ATOM 0 H LEU A 21 -12.144 0.340 -4.222 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.452 0.854 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.600 1.780 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.834 1.516 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.936 -0.826 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.075 -1.231 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.838 0.265 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.376 0.350 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.350 -2.007 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.738 -0.457 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.773 -1.078 -0.961 1.00 0.00 H new ATOM 283 N GLU A 22 -12.944 3.245 -4.209 1.00 0.00 N ATOM 284 CA GLU A 22 -13.056 4.637 -4.627 1.00 0.00 C ATOM 285 C GLU A 22 -14.470 4.949 -5.111 1.00 0.00 C ATOM 286 O GLU A 22 -15.070 5.944 -4.706 1.00 0.00 O ATOM 287 CB GLU A 22 -12.047 4.942 -5.736 1.00 0.00 C ATOM 288 CG GLU A 22 -10.619 5.083 -5.238 1.00 0.00 C ATOM 289 CD GLU A 22 -9.791 6.021 -6.095 1.00 0.00 C ATOM 290 OE1 GLU A 22 -10.199 6.292 -7.243 1.00 0.00 O ATOM 291 OE2 GLU A 22 -8.736 6.485 -5.614 1.00 0.00 O ATOM 0 H GLU A 22 -12.215 2.718 -4.689 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.839 5.267 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.086 4.147 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.340 5.864 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.631 5.450 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.146 4.101 -5.220 1.00 0.00 H new ATOM 298 N ARG A 23 -14.994 4.090 -5.979 1.00 0.00 N ATOM 299 CA ARG A 23 -16.336 4.274 -6.519 1.00 0.00 C ATOM 300 C ARG A 23 -17.391 4.080 -5.433 1.00 0.00 C ATOM 301 O ARG A 23 -18.215 4.961 -5.191 1.00 0.00 O ATOM 302 CB ARG A 23 -16.585 3.293 -7.667 1.00 0.00 C ATOM 303 CG ARG A 23 -16.118 3.807 -9.019 1.00 0.00 C ATOM 304 CD ARG A 23 -17.096 4.815 -9.601 1.00 0.00 C ATOM 305 NE ARG A 23 -16.472 5.664 -10.611 1.00 0.00 N ATOM 306 CZ ARG A 23 -17.053 6.740 -11.128 1.00 0.00 C ATOM 307 NH1 ARG A 23 -18.266 7.099 -10.730 1.00 0.00 N ATOM 308 NH2 ARG A 23 -16.420 7.463 -12.045 1.00 0.00 N ATOM 0 H ARG A 23 -14.510 3.261 -6.323 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.412 5.294 -6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.075 2.354 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.651 3.072 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.137 4.270 -8.914 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.004 2.970 -9.708 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.940 4.287 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.494 5.438 -8.800 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.538 5.417 -10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.755 6.548 -10.025 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.710 7.926 -11.129 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.486 7.192 -12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.868 8.289 -12.441 1.00 0.00 H new ATOM 322 N TYR A 24 -17.357 2.922 -4.784 1.00 0.00 N ATOM 323 CA TYR A 24 -18.312 2.611 -3.726 1.00 0.00 C ATOM 324 C TYR A 24 -18.417 3.763 -2.731 1.00 0.00 C ATOM 325 O TYR A 24 -19.479 4.012 -2.161 1.00 0.00 O ATOM 326 CB TYR A 24 -17.901 1.330 -2.998 1.00 0.00 C ATOM 327 CG TYR A 24 -18.976 0.778 -2.090 1.00 0.00 C ATOM 328 CD1 TYR A 24 -20.005 -0.007 -2.595 1.00 0.00 C ATOM 329 CD2 TYR A 24 -18.962 1.040 -0.726 1.00 0.00 C ATOM 330 CE1 TYR A 24 -20.989 -0.513 -1.769 1.00 0.00 C ATOM 331 CE2 TYR A 24 -19.941 0.537 0.109 1.00 0.00 C ATOM 332 CZ TYR A 24 -20.953 -0.238 -0.418 1.00 0.00 C ATOM 333 OH TYR A 24 -21.931 -0.742 0.409 1.00 0.00 O ATOM 0 H TYR A 24 -16.679 2.183 -4.971 1.00 0.00 H new ATOM 0 HA TYR A 24 -19.289 2.462 -4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -17.636 0.572 -3.735 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -17.006 1.528 -2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.036 -0.225 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.172 1.648 -0.311 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.782 -1.121 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -19.914 0.749 1.168 1.00 0.00 H new ATOM 0 HH TYR A 24 -21.759 -0.457 1.331 1.00 0.00 H new ATOM 343 N TRP A 25 -17.306 4.464 -2.529 1.00 0.00 N ATOM 344 CA TRP A 25 -17.273 5.590 -1.603 1.00 0.00 C ATOM 345 C TRP A 25 -17.996 6.798 -2.188 1.00 0.00 C ATOM 346 O TRP A 25 -18.859 7.390 -1.540 1.00 0.00 O ATOM 347 CB TRP A 25 -15.826 5.960 -1.271 1.00 0.00 C ATOM 348 CG TRP A 25 -15.711 7.092 -0.295 1.00 0.00 C ATOM 349 CD1 TRP A 25 -15.283 8.361 -0.559 1.00 0.00 C ATOM 350 CD2 TRP A 25 -16.026 7.055 1.101 1.00 0.00 C ATOM 351 NE1 TRP A 25 -15.314 9.116 0.588 1.00 0.00 N ATOM 352 CE2 TRP A 25 -15.767 8.338 1.621 1.00 0.00 C ATOM 353 CE3 TRP A 25 -16.505 6.063 1.962 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -15.969 8.652 2.963 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -16.704 6.377 3.293 1.00 0.00 C ATOM 356 CH2 TRP A 25 -16.438 7.662 3.783 1.00 0.00 C ATOM 0 H TRP A 25 -16.418 4.273 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 25 -17.785 5.291 -0.688 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -15.319 5.085 -0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.307 6.229 -2.191 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -14.966 8.719 -1.528 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -15.044 10.097 0.659 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -16.716 5.070 1.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -15.763 9.642 3.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -17.071 5.618 3.968 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -16.606 7.876 4.828 1.00 0.00 H new ATOM 367 N ALA A 26 -17.641 7.157 -3.417 1.00 0.00 N ATOM 368 CA ALA A 26 -18.260 8.293 -4.090 1.00 0.00 C ATOM 369 C ALA A 26 -19.697 7.976 -4.493 1.00 0.00 C ATOM 370 O ALA A 26 -20.431 8.853 -4.946 1.00 0.00 O ATOM 371 CB ALA A 26 -17.444 8.692 -5.311 1.00 0.00 C ATOM 0 H ALA A 26 -16.928 6.678 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.282 9.130 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.918 9.541 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.436 8.968 -5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.393 7.853 -6.004 1.00 0.00 H new ATOM 377 N ALA A 27 -20.090 6.718 -4.324 1.00 0.00 N ATOM 378 CA ALA A 27 -21.439 6.288 -4.669 1.00 0.00 C ATOM 379 C ALA A 27 -22.309 6.161 -3.424 1.00 0.00 C ATOM 380 O ALA A 27 -23.362 6.792 -3.323 1.00 0.00 O ATOM 381 CB ALA A 27 -21.395 4.966 -5.421 1.00 0.00 C ATOM 0 H ALA A 27 -19.494 5.979 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 27 -21.882 7.046 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -22.409 4.657 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.815 5.087 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.929 4.206 -4.794 1.00 0.00 H new ATOM 387 N HIS A 28 -21.864 5.341 -2.477 1.00 0.00 N ATOM 388 CA HIS A 28 -22.604 5.131 -1.237 1.00 0.00 C ATOM 389 C HIS A 28 -22.114 6.078 -0.145 1.00 0.00 C ATOM 390 O HIS A 28 -22.909 6.618 0.622 1.00 0.00 O ATOM 391 CB HIS A 28 -22.461 3.681 -0.772 1.00 0.00 C ATOM 392 CG HIS A 28 -22.691 2.677 -1.861 1.00 0.00 C ATOM 393 ND1 HIS A 28 -22.026 2.461 -3.019 1.00 0.00 N flip ATOM 394 CD2 HIS A 28 -23.711 1.750 -1.827 1.00 0.00 C flip ATOM 395 CE1 HIS A 28 -22.649 1.417 -3.657 1.00 0.00 C flip ATOM 396 NE2 HIS A 28 -23.662 1.006 -2.916 1.00 0.00 N flip ATOM 0 H HIS A 28 -20.995 4.811 -2.544 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.656 5.341 -1.431 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.462 3.537 -0.361 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -23.168 3.496 0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.437 1.649 -1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.358 1.000 -4.610 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -24.299 0.243 -3.146 1.00 0.00 H new ATOM 405 N GLN A 29 -20.801 6.273 -0.083 1.00 0.00 N ATOM 406 CA GLN A 29 -20.206 7.153 0.916 1.00 0.00 C ATOM 407 C GLN A 29 -20.351 6.565 2.315 1.00 0.00 C ATOM 408 O GLN A 29 -20.635 7.283 3.273 1.00 0.00 O ATOM 409 CB GLN A 29 -20.857 8.535 0.859 1.00 0.00 C ATOM 410 CG GLN A 29 -19.928 9.663 1.278 1.00 0.00 C ATOM 411 CD GLN A 29 -19.124 10.218 0.117 1.00 0.00 C ATOM 412 OE1 GLN A 29 -17.953 9.641 -0.122 1.00 0.00 O flip ATOM 413 NE2 GLN A 29 -19.553 11.155 -0.558 1.00 0.00 N flip ATOM 0 H GLN A 29 -20.129 5.834 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.144 7.250 0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.206 8.721 -0.157 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -21.736 8.540 1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.515 10.465 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.246 9.300 2.047 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.459 11.569 -0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.002 11.517 -1.336 1.00 0.00 H new ATOM 422 N GLN A 30 -20.155 5.255 2.425 1.00 0.00 N ATOM 423 CA GLN A 30 -20.266 4.571 3.707 1.00 0.00 C ATOM 424 C GLN A 30 -19.761 3.136 3.605 1.00 0.00 C ATOM 425 O GLN A 30 -19.572 2.610 2.507 1.00 0.00 O ATOM 426 CB GLN A 30 -21.718 4.580 4.191 1.00 0.00 C ATOM 427 CG GLN A 30 -22.718 4.178 3.120 1.00 0.00 C ATOM 428 CD GLN A 30 -24.155 4.319 3.581 1.00 0.00 C ATOM 429 OE1 GLN A 30 -24.453 4.191 4.769 1.00 0.00 O ATOM 430 NE2 GLN A 30 -25.055 4.585 2.642 1.00 0.00 N ATOM 0 H GLN A 30 -19.919 4.646 1.641 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.647 5.104 4.428 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -21.814 3.902 5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -21.966 5.578 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -22.563 4.793 2.234 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -22.534 3.144 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -24.764 4.683 1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -26.038 4.691 2.893 1.00 0.00 H new ATOM 439 N LEU A 31 -19.545 2.506 4.755 1.00 0.00 N ATOM 440 CA LEU A 31 -19.061 1.130 4.794 1.00 0.00 C ATOM 441 C LEU A 31 -20.069 0.219 5.489 1.00 0.00 C ATOM 442 O LEU A 31 -20.753 0.633 6.424 1.00 0.00 O ATOM 443 CB LEU A 31 -17.713 1.063 5.515 1.00 0.00 C ATOM 444 CG LEU A 31 -17.147 -0.337 5.749 1.00 0.00 C ATOM 445 CD1 LEU A 31 -16.570 -0.902 4.460 1.00 0.00 C ATOM 446 CD2 LEU A 31 -16.089 -0.309 6.842 1.00 0.00 C ATOM 0 H LEU A 31 -19.697 2.926 5.672 1.00 0.00 H new ATOM 0 HA LEU A 31 -18.934 0.785 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -16.986 1.635 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.815 1.558 6.481 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.960 -0.987 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.172 -1.899 4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.354 -0.959 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.770 -0.253 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.697 -1.315 6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.277 0.356 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.533 0.052 7.769 1.00 0.00 H new ATOM 458 N ARG A 32 -20.152 -1.024 5.025 1.00 0.00 N ATOM 459 CA ARG A 32 -21.075 -1.994 5.602 1.00 0.00 C ATOM 460 C ARG A 32 -20.408 -3.359 5.747 1.00 0.00 C ATOM 461 O ARG A 32 -19.769 -3.849 4.817 1.00 0.00 O ATOM 462 CB ARG A 32 -22.329 -2.115 4.735 1.00 0.00 C ATOM 463 CG ARG A 32 -23.054 -0.797 4.524 1.00 0.00 C ATOM 464 CD ARG A 32 -24.287 -0.972 3.651 1.00 0.00 C ATOM 465 NE ARG A 32 -25.375 -1.635 4.367 1.00 0.00 N ATOM 466 CZ ARG A 32 -26.476 -2.086 3.776 1.00 0.00 C ATOM 467 NH1 ARG A 32 -26.634 -1.946 2.467 1.00 0.00 N ATOM 468 NH2 ARG A 32 -27.421 -2.678 4.495 1.00 0.00 N ATOM 0 H ARG A 32 -19.592 -1.383 4.252 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.361 -1.642 6.593 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -22.051 -2.526 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -23.013 -2.826 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.346 -0.383 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.378 -0.079 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -24.625 0.003 3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.026 -1.555 2.768 1.00 0.00 H new ATOM 0 HE ARG A 32 -25.284 -1.758 5.375 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -25.909 -1.491 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.480 -2.293 2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -27.302 -2.787 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.266 -3.024 4.041 1.00 0.00 H new ATOM 482 N GLU A 33 -20.563 -3.966 6.920 1.00 0.00 N ATOM 483 CA GLU A 33 -19.974 -5.273 7.185 1.00 0.00 C ATOM 484 C GLU A 33 -20.282 -6.249 6.053 1.00 0.00 C ATOM 485 O GLU A 33 -19.587 -7.250 5.872 1.00 0.00 O ATOM 486 CB GLU A 33 -20.496 -5.833 8.510 1.00 0.00 C ATOM 487 CG GLU A 33 -20.215 -4.934 9.702 1.00 0.00 C ATOM 488 CD GLU A 33 -21.238 -5.097 10.810 1.00 0.00 C ATOM 489 OE1 GLU A 33 -22.449 -4.990 10.520 1.00 0.00 O ATOM 490 OE2 GLU A 33 -20.829 -5.333 11.965 1.00 0.00 O ATOM 0 H GLU A 33 -21.090 -3.574 7.700 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.893 -5.149 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.572 -5.991 8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -20.043 -6.809 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.222 -5.156 10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -20.203 -3.895 9.374 1.00 0.00 H new ATOM 497 N THR A 34 -21.330 -5.951 5.290 1.00 0.00 N ATOM 498 CA THR A 34 -21.732 -6.801 4.177 1.00 0.00 C ATOM 499 C THR A 34 -20.898 -6.509 2.934 1.00 0.00 C ATOM 500 O THR A 34 -20.583 -7.414 2.162 1.00 0.00 O ATOM 501 CB THR A 34 -23.223 -6.613 3.836 1.00 0.00 C ATOM 502 OG1 THR A 34 -23.466 -5.261 3.430 1.00 0.00 O ATOM 503 CG2 THR A 34 -24.098 -6.953 5.034 1.00 0.00 C ATOM 0 H THR A 34 -21.916 -5.127 5.423 1.00 0.00 H new ATOM 0 HA THR A 34 -21.566 -7.832 4.490 1.00 0.00 H new ATOM 0 HB THR A 34 -23.475 -7.288 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.415 -5.150 3.213 1.00 0.00 H new ATOM 0 HG21 THR A 34 -25.146 -6.813 4.770 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.932 -7.991 5.323 1.00 0.00 H new ATOM 0 HG23 THR A 34 -23.843 -6.299 5.868 1.00 0.00 H new ATOM 511 N ASP A 35 -20.544 -5.243 2.749 1.00 0.00 N ATOM 512 CA ASP A 35 -19.744 -4.832 1.600 1.00 0.00 C ATOM 513 C ASP A 35 -18.254 -4.921 1.916 1.00 0.00 C ATOM 514 O ASP A 35 -17.413 -4.781 1.029 1.00 0.00 O ATOM 515 CB ASP A 35 -20.106 -3.406 1.183 1.00 0.00 C ATOM 516 CG ASP A 35 -21.381 -3.348 0.365 1.00 0.00 C ATOM 517 OD1 ASP A 35 -21.300 -3.509 -0.871 1.00 0.00 O ATOM 518 OD2 ASP A 35 -22.459 -3.143 0.961 1.00 0.00 O ATOM 0 H ASP A 35 -20.798 -4.483 3.380 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.963 -5.509 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -20.221 -2.788 2.074 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.286 -2.981 0.604 1.00 0.00 H new ATOM 523 N ILE A 36 -17.937 -5.155 3.185 1.00 0.00 N ATOM 524 CA ILE A 36 -16.549 -5.262 3.616 1.00 0.00 C ATOM 525 C ILE A 36 -15.841 -6.415 2.912 1.00 0.00 C ATOM 526 O ILE A 36 -14.829 -6.233 2.235 1.00 0.00 O ATOM 527 CB ILE A 36 -16.447 -5.466 5.140 1.00 0.00 C ATOM 528 CG1 ILE A 36 -16.354 -4.116 5.853 1.00 0.00 C ATOM 529 CG2 ILE A 36 -15.244 -6.334 5.478 1.00 0.00 C ATOM 530 CD1 ILE A 36 -16.190 -4.233 7.352 1.00 0.00 C ATOM 0 H ILE A 36 -18.622 -5.274 3.932 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.063 -4.324 3.349 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.347 -5.975 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.511 -3.557 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.253 -3.538 5.638 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.185 -6.469 6.558 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.350 -7.306 4.996 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.334 -5.850 5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -16.131 -3.237 7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.045 -4.764 7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.276 -4.783 7.576 1.00 0.00 H new ATOM 542 N PRO A 37 -16.385 -7.629 3.072 1.00 0.00 N ATOM 543 CA PRO A 37 -15.824 -8.837 2.458 1.00 0.00 C ATOM 544 C PRO A 37 -16.000 -8.850 0.943 1.00 0.00 C ATOM 545 O PRO A 37 -15.143 -9.349 0.215 1.00 0.00 O ATOM 546 CB PRO A 37 -16.629 -9.969 3.099 1.00 0.00 C ATOM 547 CG PRO A 37 -17.919 -9.339 3.496 1.00 0.00 C ATOM 548 CD PRO A 37 -17.591 -7.920 3.867 1.00 0.00 C ATOM 0 HA PRO A 37 -14.749 -8.916 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.788 -10.788 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -16.109 -10.385 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.637 -9.372 2.677 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.369 -9.868 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -18.408 -7.241 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.402 -7.817 4.936 1.00 0.00 H new ATOM 556 N GLN A 38 -17.116 -8.299 0.477 1.00 0.00 N ATOM 557 CA GLN A 38 -17.402 -8.248 -0.952 1.00 0.00 C ATOM 558 C GLN A 38 -16.440 -7.307 -1.669 1.00 0.00 C ATOM 559 O GLN A 38 -15.912 -7.633 -2.732 1.00 0.00 O ATOM 560 CB GLN A 38 -18.845 -7.800 -1.189 1.00 0.00 C ATOM 561 CG GLN A 38 -19.161 -7.511 -2.647 1.00 0.00 C ATOM 562 CD GLN A 38 -19.489 -8.767 -3.433 1.00 0.00 C ATOM 563 OE1 GLN A 38 -20.281 -9.599 -2.991 1.00 0.00 O ATOM 564 NE2 GLN A 38 -18.880 -8.908 -4.603 1.00 0.00 N ATOM 0 H GLN A 38 -17.836 -7.882 1.067 1.00 0.00 H new ATOM 0 HA GLN A 38 -17.269 -9.251 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -19.521 -8.574 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -19.040 -6.904 -0.599 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -20.004 -6.822 -2.703 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -18.309 -7.011 -3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -18.231 -8.192 -4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -19.061 -9.732 -5.176 1.00 0.00 H new ATOM 573 N LEU A 39 -16.217 -6.137 -1.079 1.00 0.00 N ATOM 574 CA LEU A 39 -15.318 -5.147 -1.661 1.00 0.00 C ATOM 575 C LEU A 39 -13.868 -5.611 -1.575 1.00 0.00 C ATOM 576 O LEU A 39 -13.139 -5.591 -2.567 1.00 0.00 O ATOM 577 CB LEU A 39 -15.478 -3.803 -0.948 1.00 0.00 C ATOM 578 CG LEU A 39 -16.765 -3.033 -1.248 1.00 0.00 C ATOM 579 CD1 LEU A 39 -16.975 -1.927 -0.226 1.00 0.00 C ATOM 580 CD2 LEU A 39 -16.727 -2.460 -2.657 1.00 0.00 C ATOM 0 H LEU A 39 -16.646 -5.851 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.580 -5.028 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.424 -3.976 0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.630 -3.171 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.604 -3.725 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.895 -1.390 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.047 -2.362 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.133 -1.235 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.651 -1.915 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.879 -1.782 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.624 -3.272 -3.377 1.00 0.00 H new ATOM 592 N SER A 40 -13.455 -6.031 -0.383 1.00 0.00 N ATOM 593 CA SER A 40 -12.091 -6.499 -0.167 1.00 0.00 C ATOM 594 C SER A 40 -11.659 -7.446 -1.283 1.00 0.00 C ATOM 595 O SER A 40 -10.513 -7.413 -1.731 1.00 0.00 O ATOM 596 CB SER A 40 -11.978 -7.202 1.187 1.00 0.00 C ATOM 597 OG SER A 40 -10.624 -7.429 1.533 1.00 0.00 O ATOM 0 H SER A 40 -14.046 -6.057 0.448 1.00 0.00 H new ATOM 0 HA SER A 40 -11.430 -5.632 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.456 -6.595 1.956 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.512 -8.152 1.153 1.00 0.00 H new ATOM 0 HG SER A 40 -10.184 -7.934 0.818 1.00 0.00 H new ATOM 603 N GLN A 41 -12.586 -8.290 -1.725 1.00 0.00 N ATOM 604 CA GLN A 41 -12.302 -9.248 -2.787 1.00 0.00 C ATOM 605 C GLN A 41 -12.080 -8.535 -4.118 1.00 0.00 C ATOM 606 O GLN A 41 -11.306 -8.995 -4.958 1.00 0.00 O ATOM 607 CB GLN A 41 -13.447 -10.252 -2.918 1.00 0.00 C ATOM 608 CG GLN A 41 -13.317 -11.448 -1.988 1.00 0.00 C ATOM 609 CD GLN A 41 -14.515 -12.374 -2.058 1.00 0.00 C ATOM 610 OE1 GLN A 41 -14.853 -12.892 -3.123 1.00 0.00 O ATOM 611 NE2 GLN A 41 -15.165 -12.589 -0.919 1.00 0.00 N ATOM 0 H GLN A 41 -13.539 -8.330 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.389 -9.782 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -14.390 -9.744 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.492 -10.606 -3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.416 -12.006 -2.243 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.194 -11.096 -0.964 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -14.850 -12.139 -0.059 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.979 -13.204 -0.904 1.00 0.00 H new ATOM 620 N ALA A 42 -12.764 -7.411 -4.302 1.00 0.00 N ATOM 621 CA ALA A 42 -12.640 -6.634 -5.529 1.00 0.00 C ATOM 622 C ALA A 42 -11.321 -5.871 -5.566 1.00 0.00 C ATOM 623 O ALA A 42 -10.672 -5.782 -6.608 1.00 0.00 O ATOM 624 CB ALA A 42 -13.812 -5.673 -5.666 1.00 0.00 C ATOM 0 H ALA A 42 -13.410 -7.018 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.652 -7.327 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.706 -5.099 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.744 -6.238 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.826 -4.993 -4.814 1.00 0.00 H new ATOM 630 N SER A 43 -10.929 -5.320 -4.421 1.00 0.00 N ATOM 631 CA SER A 43 -9.688 -4.560 -4.324 1.00 0.00 C ATOM 632 C SER A 43 -8.497 -5.489 -4.107 1.00 0.00 C ATOM 633 O SER A 43 -7.348 -5.049 -4.093 1.00 0.00 O ATOM 634 CB SER A 43 -9.775 -3.548 -3.180 1.00 0.00 C ATOM 635 OG SER A 43 -11.083 -3.013 -3.070 1.00 0.00 O ATOM 0 H SER A 43 -11.453 -5.386 -3.548 1.00 0.00 H new ATOM 0 HA SER A 43 -9.543 -4.026 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.496 -4.029 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.062 -2.741 -3.349 1.00 0.00 H new ATOM 0 HG SER A 43 -11.324 -2.929 -2.124 1.00 0.00 H new ATOM 641 N ARG A 44 -8.782 -6.776 -3.939 1.00 0.00 N ATOM 642 CA ARG A 44 -7.736 -7.768 -3.721 1.00 0.00 C ATOM 643 C ARG A 44 -6.950 -7.459 -2.451 1.00 0.00 C ATOM 644 O ARG A 44 -5.741 -7.684 -2.386 1.00 0.00 O ATOM 645 CB ARG A 44 -6.789 -7.813 -4.921 1.00 0.00 C ATOM 646 CG ARG A 44 -7.294 -8.680 -6.064 1.00 0.00 C ATOM 647 CD ARG A 44 -8.142 -7.877 -7.039 1.00 0.00 C ATOM 648 NE ARG A 44 -9.136 -8.708 -7.712 1.00 0.00 N ATOM 649 CZ ARG A 44 -9.826 -8.312 -8.776 1.00 0.00 C ATOM 650 NH1 ARG A 44 -9.629 -7.104 -9.286 1.00 0.00 N ATOM 651 NH2 ARG A 44 -10.713 -9.126 -9.333 1.00 0.00 N ATOM 0 H ARG A 44 -9.728 -7.156 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.212 -8.742 -3.605 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.632 -6.799 -5.288 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.819 -8.187 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.447 -9.118 -6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.882 -9.506 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.645 -7.072 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.496 -7.411 -7.783 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.310 -9.644 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.946 -6.476 -8.861 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.160 -6.803 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.866 -10.057 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.242 -8.821 -10.150 1.00 0.00 H new ATOM 665 N LEU A 45 -7.644 -6.941 -1.443 1.00 0.00 N ATOM 666 CA LEU A 45 -7.010 -6.601 -0.173 1.00 0.00 C ATOM 667 C LEU A 45 -7.561 -7.462 0.958 1.00 0.00 C ATOM 668 O LEU A 45 -8.402 -8.334 0.735 1.00 0.00 O ATOM 669 CB LEU A 45 -7.226 -5.120 0.146 1.00 0.00 C ATOM 670 CG LEU A 45 -6.789 -4.130 -0.934 1.00 0.00 C ATOM 671 CD1 LEU A 45 -7.571 -2.832 -0.816 1.00 0.00 C ATOM 672 CD2 LEU A 45 -5.293 -3.865 -0.840 1.00 0.00 C ATOM 0 H LEU A 45 -8.645 -6.747 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.941 -6.795 -0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.286 -4.963 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.689 -4.885 1.065 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.999 -4.569 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.246 -2.140 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.635 -3.036 -0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.393 -2.388 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.999 -3.158 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.058 -3.447 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.749 -4.800 -0.976 1.00 0.00 H new ATOM 684 N SER A 46 -7.085 -7.209 2.173 1.00 0.00 N ATOM 685 CA SER A 46 -7.529 -7.963 3.340 1.00 0.00 C ATOM 686 C SER A 46 -8.705 -7.269 4.020 1.00 0.00 C ATOM 687 O SER A 46 -8.842 -6.047 3.957 1.00 0.00 O ATOM 688 CB SER A 46 -6.378 -8.130 4.334 1.00 0.00 C ATOM 689 OG SER A 46 -6.333 -7.048 5.248 1.00 0.00 O ATOM 0 H SER A 46 -6.392 -6.488 2.375 1.00 0.00 H new ATOM 0 HA SER A 46 -7.855 -8.947 3.003 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.497 -9.066 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.433 -8.194 3.794 1.00 0.00 H new ATOM 0 HG SER A 46 -5.590 -7.179 5.874 1.00 0.00 H new ATOM 695 N THR A 47 -9.556 -8.059 4.669 1.00 0.00 N ATOM 696 CA THR A 47 -10.721 -7.523 5.360 1.00 0.00 C ATOM 697 C THR A 47 -10.357 -6.290 6.179 1.00 0.00 C ATOM 698 O THR A 47 -11.152 -5.360 6.305 1.00 0.00 O ATOM 699 CB THR A 47 -11.356 -8.573 6.290 1.00 0.00 C ATOM 700 OG1 THR A 47 -11.245 -9.877 5.704 1.00 0.00 O ATOM 701 CG2 THR A 47 -12.821 -8.253 6.549 1.00 0.00 C ATOM 0 H THR A 47 -9.459 -9.073 4.730 1.00 0.00 H new ATOM 0 HA THR A 47 -11.442 -7.245 4.592 1.00 0.00 H new ATOM 0 HB THR A 47 -10.823 -8.554 7.240 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.649 -10.540 6.302 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.247 -9.009 7.208 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.902 -7.273 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.365 -8.247 5.604 1.00 0.00 H new ATOM 709 N GLN A 48 -9.149 -6.291 6.734 1.00 0.00 N ATOM 710 CA GLN A 48 -8.680 -5.171 7.541 1.00 0.00 C ATOM 711 C GLN A 48 -8.277 -3.995 6.659 1.00 0.00 C ATOM 712 O GLN A 48 -8.529 -2.839 6.997 1.00 0.00 O ATOM 713 CB GLN A 48 -7.496 -5.602 8.411 1.00 0.00 C ATOM 714 CG GLN A 48 -6.841 -4.453 9.159 1.00 0.00 C ATOM 715 CD GLN A 48 -7.564 -4.105 10.445 1.00 0.00 C ATOM 716 OE1 GLN A 48 -7.938 -4.988 11.218 1.00 0.00 O ATOM 717 NE2 GLN A 48 -7.764 -2.815 10.682 1.00 0.00 N ATOM 0 H GLN A 48 -8.478 -7.054 6.640 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.499 -4.853 8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.837 -6.346 9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.750 -6.086 7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.808 -4.715 9.387 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.812 -3.575 8.514 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.437 -2.117 10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.245 -2.521 11.532 1.00 0.00 H new ATOM 726 N GLN A 49 -7.648 -4.297 5.528 1.00 0.00 N ATOM 727 CA GLN A 49 -7.209 -3.264 4.598 1.00 0.00 C ATOM 728 C GLN A 49 -8.352 -2.311 4.264 1.00 0.00 C ATOM 729 O GLN A 49 -8.221 -1.096 4.402 1.00 0.00 O ATOM 730 CB GLN A 49 -6.668 -3.899 3.316 1.00 0.00 C ATOM 731 CG GLN A 49 -5.280 -4.500 3.474 1.00 0.00 C ATOM 732 CD GLN A 49 -4.210 -3.447 3.690 1.00 0.00 C ATOM 733 OE1 GLN A 49 -3.522 -3.445 4.710 1.00 0.00 O ATOM 734 NE2 GLN A 49 -4.063 -2.545 2.726 1.00 0.00 N ATOM 0 H GLN A 49 -7.431 -5.249 5.234 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.413 -2.694 5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.357 -4.677 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.641 -3.144 2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.281 -5.190 4.318 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.037 -5.083 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.655 -2.584 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.358 -1.814 2.815 1.00 0.00 H new ATOM 743 N VAL A 50 -9.473 -2.872 3.823 1.00 0.00 N ATOM 744 CA VAL A 50 -10.640 -2.072 3.469 1.00 0.00 C ATOM 745 C VAL A 50 -11.119 -1.244 4.657 1.00 0.00 C ATOM 746 O VAL A 50 -11.431 -0.060 4.516 1.00 0.00 O ATOM 747 CB VAL A 50 -11.800 -2.958 2.976 1.00 0.00 C ATOM 748 CG1 VAL A 50 -13.062 -2.130 2.787 1.00 0.00 C ATOM 749 CG2 VAL A 50 -11.417 -3.663 1.683 1.00 0.00 C ATOM 0 H VAL A 50 -9.598 -3.877 3.702 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.334 -1.405 2.663 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.002 -3.717 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.870 -2.773 2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.344 -1.675 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.877 -1.348 2.050 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.247 -4.285 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.188 -2.921 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.541 -4.289 1.855 1.00 0.00 H new ATOM 759 N LEU A 51 -11.175 -1.872 5.825 1.00 0.00 N ATOM 760 CA LEU A 51 -11.615 -1.194 7.039 1.00 0.00 C ATOM 761 C LEU A 51 -10.808 0.080 7.274 1.00 0.00 C ATOM 762 O LEU A 51 -11.362 1.120 7.628 1.00 0.00 O ATOM 763 CB LEU A 51 -11.481 -2.126 8.245 1.00 0.00 C ATOM 764 CG LEU A 51 -12.652 -3.077 8.491 1.00 0.00 C ATOM 765 CD1 LEU A 51 -12.246 -4.185 9.452 1.00 0.00 C ATOM 766 CD2 LEU A 51 -13.854 -2.316 9.030 1.00 0.00 C ATOM 0 H LEU A 51 -10.921 -2.851 5.958 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.663 -0.921 6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.576 -2.721 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.341 -1.515 9.137 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.932 -3.531 7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.092 -4.853 9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.416 -4.749 9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.939 -3.748 10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.678 -3.009 9.199 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.587 -1.833 9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.159 -1.559 8.307 1.00 0.00 H new ATOM 778 N ASP A 52 -9.498 -0.010 7.073 1.00 0.00 N ATOM 779 CA ASP A 52 -8.616 1.135 7.259 1.00 0.00 C ATOM 780 C ASP A 52 -8.819 2.164 6.151 1.00 0.00 C ATOM 781 O ASP A 52 -8.696 3.367 6.378 1.00 0.00 O ATOM 782 CB ASP A 52 -7.155 0.682 7.290 1.00 0.00 C ATOM 783 CG ASP A 52 -6.280 1.603 8.116 1.00 0.00 C ATOM 784 OD1 ASP A 52 -6.723 2.024 9.204 1.00 0.00 O ATOM 785 OD2 ASP A 52 -5.151 1.905 7.673 1.00 0.00 O ATOM 0 H ASP A 52 -9.024 -0.865 6.781 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.864 1.601 8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.100 -0.328 7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.770 0.637 6.271 1.00 0.00 H new ATOM 790 N TRP A 53 -9.128 1.681 4.953 1.00 0.00 N ATOM 791 CA TRP A 53 -9.347 2.559 3.809 1.00 0.00 C ATOM 792 C TRP A 53 -10.465 3.556 4.094 1.00 0.00 C ATOM 793 O TRP A 53 -10.252 4.769 4.057 1.00 0.00 O ATOM 794 CB TRP A 53 -9.687 1.735 2.566 1.00 0.00 C ATOM 795 CG TRP A 53 -9.272 2.394 1.285 1.00 0.00 C ATOM 796 CD1 TRP A 53 -8.060 2.289 0.664 1.00 0.00 C ATOM 797 CD2 TRP A 53 -10.069 3.261 0.470 1.00 0.00 C ATOM 798 NE1 TRP A 53 -8.056 3.039 -0.488 1.00 0.00 N ATOM 799 CE2 TRP A 53 -9.277 3.643 -0.630 1.00 0.00 C ATOM 800 CE3 TRP A 53 -11.376 3.749 0.561 1.00 0.00 C ATOM 801 CZ2 TRP A 53 -9.749 4.492 -1.628 1.00 0.00 C ATOM 802 CZ3 TRP A 53 -11.843 4.591 -0.430 1.00 0.00 C ATOM 803 CH2 TRP A 53 -11.031 4.955 -1.513 1.00 0.00 C ATOM 0 H TRP A 53 -9.233 0.687 4.748 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.427 3.115 3.628 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.201 0.762 2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.762 1.554 2.542 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.228 1.703 1.025 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.271 3.131 -1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -12.009 3.473 1.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -9.125 4.775 -2.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -12.851 4.975 -0.369 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.426 5.614 -2.272 1.00 0.00 H new ATOM 814 N PHE A 54 -11.655 3.039 4.379 1.00 0.00 N ATOM 815 CA PHE A 54 -12.807 3.887 4.668 1.00 0.00 C ATOM 816 C PHE A 54 -12.570 4.713 5.928 1.00 0.00 C ATOM 817 O PHE A 54 -12.976 5.872 6.010 1.00 0.00 O ATOM 818 CB PHE A 54 -14.065 3.032 4.835 1.00 0.00 C ATOM 819 CG PHE A 54 -14.576 2.459 3.544 1.00 0.00 C ATOM 820 CD1 PHE A 54 -14.029 1.298 3.022 1.00 0.00 C ATOM 821 CD2 PHE A 54 -15.603 3.082 2.853 1.00 0.00 C ATOM 822 CE1 PHE A 54 -14.497 0.769 1.833 1.00 0.00 C ATOM 823 CE2 PHE A 54 -16.075 2.556 1.665 1.00 0.00 C ATOM 824 CZ PHE A 54 -15.521 1.399 1.154 1.00 0.00 C ATOM 0 H PHE A 54 -11.848 2.038 4.416 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.947 4.568 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.851 2.216 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.849 3.638 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.228 0.801 3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.039 3.988 3.247 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.062 -0.136 1.436 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.877 3.050 1.137 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.888 0.988 0.225 1.00 0.00 H new ATOM 834 N ASP A 55 -11.908 4.109 6.909 1.00 0.00 N ATOM 835 CA ASP A 55 -11.615 4.788 8.166 1.00 0.00 C ATOM 836 C ASP A 55 -10.754 6.025 7.927 1.00 0.00 C ATOM 837 O ASP A 55 -10.857 7.015 8.652 1.00 0.00 O ATOM 838 CB ASP A 55 -10.907 3.838 9.132 1.00 0.00 C ATOM 839 CG ASP A 55 -10.773 4.420 10.525 1.00 0.00 C ATOM 840 OD1 ASP A 55 -11.815 4.681 11.161 1.00 0.00 O ATOM 841 OD2 ASP A 55 -9.626 4.617 10.979 1.00 0.00 O ATOM 0 H ASP A 55 -11.564 3.150 6.858 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.560 5.104 8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.460 2.900 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.916 3.602 8.744 1.00 0.00 H new ATOM 846 N SER A 56 -9.905 5.962 6.907 1.00 0.00 N ATOM 847 CA SER A 56 -9.023 7.074 6.576 1.00 0.00 C ATOM 848 C SER A 56 -9.774 8.150 5.798 1.00 0.00 C ATOM 849 O SER A 56 -9.338 9.299 5.728 1.00 0.00 O ATOM 850 CB SER A 56 -7.827 6.579 5.759 1.00 0.00 C ATOM 851 OG SER A 56 -6.814 6.057 6.601 1.00 0.00 O ATOM 0 H SER A 56 -9.809 5.152 6.295 1.00 0.00 H new ATOM 0 HA SER A 56 -8.662 7.509 7.508 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.154 5.810 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.424 7.399 5.166 1.00 0.00 H new ATOM 0 HG SER A 56 -6.062 5.746 6.054 1.00 0.00 H new ATOM 857 N ARG A 57 -10.905 7.768 5.216 1.00 0.00 N ATOM 858 CA ARG A 57 -11.718 8.699 4.441 1.00 0.00 C ATOM 859 C ARG A 57 -12.703 9.440 5.341 1.00 0.00 C ATOM 860 O ARG A 57 -13.124 10.554 5.033 1.00 0.00 O ATOM 861 CB ARG A 57 -12.477 7.954 3.341 1.00 0.00 C ATOM 862 CG ARG A 57 -11.571 7.341 2.285 1.00 0.00 C ATOM 863 CD ARG A 57 -11.067 8.390 1.306 1.00 0.00 C ATOM 864 NE ARG A 57 -9.814 8.997 1.752 1.00 0.00 N ATOM 865 CZ ARG A 57 -9.239 10.026 1.141 1.00 0.00 C ATOM 866 NH1 ARG A 57 -9.800 10.561 0.065 1.00 0.00 N ATOM 867 NH2 ARG A 57 -8.099 10.523 1.607 1.00 0.00 N ATOM 0 H ARG A 57 -11.280 6.821 5.266 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.051 9.429 3.982 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.077 7.165 3.795 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.169 8.643 2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.723 6.856 2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.114 6.567 1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.920 7.932 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.823 9.166 1.185 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.357 8.609 2.577 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.676 10.182 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.356 11.351 -0.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.665 10.114 2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.658 11.314 1.137 1.00 0.00 H new ATOM 881 N LEU A 58 -13.066 8.811 6.454 1.00 0.00 N ATOM 882 CA LEU A 58 -14.002 9.410 7.399 1.00 0.00 C ATOM 883 C LEU A 58 -13.538 10.802 7.819 1.00 0.00 C ATOM 884 O LEU A 58 -14.248 11.794 7.658 1.00 0.00 O ATOM 885 CB LEU A 58 -14.153 8.518 8.632 1.00 0.00 C ATOM 886 CG LEU A 58 -15.303 7.510 8.594 1.00 0.00 C ATOM 887 CD1 LEU A 58 -15.144 6.477 9.699 1.00 0.00 C ATOM 888 CD2 LEU A 58 -16.641 8.222 8.716 1.00 0.00 C ATOM 0 H LEU A 58 -12.727 7.888 6.724 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.969 9.503 6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.221 7.971 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -14.286 9.158 9.505 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.276 6.993 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.971 5.768 9.656 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.202 5.944 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.144 6.977 10.667 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -17.447 7.489 8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.679 8.766 9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.757 8.922 7.889 1.00 0.00 H new ATOM 900 N PRO A 59 -12.316 10.877 8.367 1.00 0.00 N ATOM 901 CA PRO A 59 -11.729 12.143 8.818 1.00 0.00 C ATOM 902 C PRO A 59 -11.371 13.063 7.655 1.00 0.00 C ATOM 903 O PRO A 59 -10.334 12.893 7.015 1.00 0.00 O ATOM 904 CB PRO A 59 -10.464 11.702 9.559 1.00 0.00 C ATOM 905 CG PRO A 59 -10.110 10.387 8.955 1.00 0.00 C ATOM 906 CD PRO A 59 -11.415 9.735 8.589 1.00 0.00 C ATOM 0 HA PRO A 59 -12.422 12.718 9.432 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.659 12.425 9.432 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.644 11.610 10.630 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.479 10.518 8.076 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.550 9.772 9.660 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.320 9.119 7.695 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -11.778 9.086 9.386 1.00 0.00 H new ATOM 914 N GLN A 60 -12.237 14.036 7.389 1.00 0.00 N ATOM 915 CA GLN A 60 -12.012 14.982 6.303 1.00 0.00 C ATOM 916 C GLN A 60 -10.522 15.246 6.112 1.00 0.00 C ATOM 917 O GLN A 60 -9.923 16.081 6.791 1.00 0.00 O ATOM 918 CB GLN A 60 -12.743 16.295 6.582 1.00 0.00 C ATOM 919 CG GLN A 60 -14.236 16.123 6.815 1.00 0.00 C ATOM 920 CD GLN A 60 -14.961 17.446 6.959 1.00 0.00 C ATOM 921 OE1 GLN A 60 -14.382 18.512 6.741 1.00 0.00 O ATOM 922 NE2 GLN A 60 -16.235 17.387 7.328 1.00 0.00 N ATOM 0 H GLN A 60 -13.100 14.189 7.910 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.406 14.544 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.299 16.769 7.457 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.591 16.972 5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.668 15.565 5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.393 15.527 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -16.675 16.483 7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.773 18.246 7.441 1.00 0.00 H new ATOM 931 N PRO A 61 -9.907 14.520 5.167 1.00 0.00 N ATOM 932 CA PRO A 61 -8.480 14.659 4.864 1.00 0.00 C ATOM 933 C PRO A 61 -8.156 15.988 4.191 1.00 0.00 C ATOM 934 O PRO A 61 -9.038 16.821 3.984 1.00 0.00 O ATOM 935 CB PRO A 61 -8.204 13.494 3.910 1.00 0.00 C ATOM 936 CG PRO A 61 -9.520 13.206 3.275 1.00 0.00 C ATOM 937 CD PRO A 61 -10.559 13.507 4.319 1.00 0.00 C ATOM 0 HA PRO A 61 -7.869 14.642 5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.455 13.761 3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.824 12.624 4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.668 13.822 2.388 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.579 12.166 2.954 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -11.478 13.887 3.873 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.826 12.617 4.889 1.00 0.00 H new ATOM 945 N ALA A 62 -6.886 16.180 3.851 1.00 0.00 N ATOM 946 CA ALA A 62 -6.447 17.408 3.199 1.00 0.00 C ATOM 947 C ALA A 62 -6.595 17.308 1.684 1.00 0.00 C ATOM 948 O ALA A 62 -5.825 16.615 1.022 1.00 0.00 O ATOM 949 CB ALA A 62 -5.004 17.716 3.571 1.00 0.00 C ATOM 0 H ALA A 62 -6.143 15.501 4.016 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.082 18.222 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.689 18.635 3.077 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.925 17.839 4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.363 16.895 3.251 1.00 0.00 H new ATOM 955 N GLU A 63 -7.591 18.004 1.145 1.00 0.00 N ATOM 956 CA GLU A 63 -7.840 17.992 -0.292 1.00 0.00 C ATOM 957 C GLU A 63 -6.735 18.729 -1.042 1.00 0.00 C ATOM 958 O GLU A 63 -6.183 19.712 -0.548 1.00 0.00 O ATOM 959 CB GLU A 63 -9.196 18.630 -0.602 1.00 0.00 C ATOM 960 CG GLU A 63 -9.647 18.430 -2.040 1.00 0.00 C ATOM 961 CD GLU A 63 -11.140 18.626 -2.214 1.00 0.00 C ATOM 962 OE1 GLU A 63 -11.648 19.700 -1.831 1.00 0.00 O ATOM 963 OE2 GLU A 63 -11.803 17.704 -2.735 1.00 0.00 O ATOM 0 H GLU A 63 -8.238 18.583 1.681 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.850 16.954 -0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.947 18.211 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.142 19.698 -0.392 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.115 19.129 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.375 17.426 -2.366 1.00 0.00 H new ATOM 970 N VAL A 64 -6.415 18.245 -2.239 1.00 0.00 N ATOM 971 CA VAL A 64 -5.377 18.857 -3.058 1.00 0.00 C ATOM 972 C VAL A 64 -5.947 19.371 -4.375 1.00 0.00 C ATOM 973 O VAL A 64 -5.287 20.114 -5.102 1.00 0.00 O ATOM 974 CB VAL A 64 -4.238 17.864 -3.357 1.00 0.00 C ATOM 975 CG1 VAL A 64 -3.460 17.546 -2.090 1.00 0.00 C ATOM 976 CG2 VAL A 64 -4.792 16.594 -3.986 1.00 0.00 C ATOM 0 H VAL A 64 -6.861 17.431 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.977 19.695 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.553 18.326 -4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.660 16.843 -2.321 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.032 18.463 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.130 17.103 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.974 15.903 -4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.499 16.127 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.300 16.841 -4.918 1.00 0.00 H new ATOM 986 N SER A 65 -7.178 18.971 -4.677 1.00 0.00 N ATOM 987 CA SER A 65 -7.838 19.388 -5.909 1.00 0.00 C ATOM 988 C SER A 65 -8.934 20.409 -5.619 1.00 0.00 C ATOM 989 O SER A 65 -9.647 20.304 -4.622 1.00 0.00 O ATOM 990 CB SER A 65 -8.430 18.176 -6.630 1.00 0.00 C ATOM 991 OG SER A 65 -8.511 18.402 -8.026 1.00 0.00 O ATOM 0 H SER A 65 -7.739 18.358 -4.085 1.00 0.00 H new ATOM 0 HA SER A 65 -7.092 19.855 -6.552 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.815 17.297 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.423 17.963 -6.235 1.00 0.00 H new ATOM 0 HG SER A 65 -8.891 17.612 -8.464 1.00 0.00 H new ATOM 997 N GLY A 66 -9.063 21.395 -6.500 1.00 0.00 N ATOM 998 CA GLY A 66 -10.073 22.421 -6.323 1.00 0.00 C ATOM 999 C GLY A 66 -11.214 22.289 -7.312 1.00 0.00 C ATOM 1000 O GLY A 66 -12.194 21.583 -7.072 1.00 0.00 O ATOM 0 H GLY A 66 -8.486 21.502 -7.334 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.468 22.367 -5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.612 23.403 -6.434 1.00 0.00 H new ATOM 1004 N PRO A 67 -11.095 22.980 -8.455 1.00 0.00 N ATOM 1005 CA PRO A 67 -12.116 22.953 -9.507 1.00 0.00 C ATOM 1006 C PRO A 67 -12.183 21.605 -10.215 1.00 0.00 C ATOM 1007 O PRO A 67 -11.358 21.304 -11.078 1.00 0.00 O ATOM 1008 CB PRO A 67 -11.655 24.044 -10.477 1.00 0.00 C ATOM 1009 CG PRO A 67 -10.184 24.143 -10.265 1.00 0.00 C ATOM 1010 CD PRO A 67 -9.954 23.841 -8.809 1.00 0.00 C ATOM 0 HA PRO A 67 -13.117 23.114 -9.107 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.889 23.781 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.150 24.993 -10.269 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.650 23.436 -10.899 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.819 25.138 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.003 23.333 -8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.935 24.750 -8.208 1.00 0.00 H new ATOM 1018 N SER A 68 -13.171 20.796 -9.847 1.00 0.00 N ATOM 1019 CA SER A 68 -13.343 19.477 -10.445 1.00 0.00 C ATOM 1020 C SER A 68 -14.626 18.818 -9.947 1.00 0.00 C ATOM 1021 O SER A 68 -14.826 18.656 -8.744 1.00 0.00 O ATOM 1022 CB SER A 68 -12.141 18.588 -10.124 1.00 0.00 C ATOM 1023 OG SER A 68 -12.225 17.350 -10.811 1.00 0.00 O ATOM 0 H SER A 68 -13.865 21.031 -9.137 1.00 0.00 H new ATOM 0 HA SER A 68 -13.415 19.601 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.220 19.101 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.093 18.409 -9.050 1.00 0.00 H new ATOM 0 HG SER A 68 -11.444 16.800 -10.591 1.00 0.00 H new ATOM 1029 N SER A 69 -15.491 18.440 -10.882 1.00 0.00 N ATOM 1030 CA SER A 69 -16.757 17.802 -10.540 1.00 0.00 C ATOM 1031 C SER A 69 -16.621 16.283 -10.554 1.00 0.00 C ATOM 1032 O SER A 69 -16.629 15.657 -11.612 1.00 0.00 O ATOM 1033 CB SER A 69 -17.852 18.236 -11.516 1.00 0.00 C ATOM 1034 OG SER A 69 -19.127 17.795 -11.082 1.00 0.00 O ATOM 0 H SER A 69 -15.338 18.564 -11.883 1.00 0.00 H new ATOM 0 HA SER A 69 -17.033 18.116 -9.533 1.00 0.00 H new ATOM 0 HB2 SER A 69 -17.852 19.322 -11.608 1.00 0.00 H new ATOM 0 HB3 SER A 69 -17.642 17.832 -12.506 1.00 0.00 H new ATOM 0 HG SER A 69 -19.809 18.087 -11.722 1.00 0.00 H new ATOM 1040 N GLY A 70 -16.495 15.695 -9.368 1.00 0.00 N ATOM 1041 CA GLY A 70 -16.358 14.255 -9.264 1.00 0.00 C ATOM 1042 C GLY A 70 -16.900 13.712 -7.956 1.00 0.00 C ATOM 1043 O GLY A 70 -17.894 12.986 -7.942 1.00 0.00 O ATOM 0 H GLY A 70 -16.485 16.191 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.882 13.783 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -15.306 13.986 -9.357 1.00 0.00 H new TER 1047 GLY A 70