USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 616 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 Set 1.1: A 1 MET N :NH3+ -137:sc= 1.23 (180deg=-0.0692) USER MOD Set 1.2: A 36 ASN : amide:sc= 0.00905 K(o=1.2,f=-13!) USER MOD Set 2.1: A 10 THR OG1 : rot 180:sc= 0.00307 USER MOD Set 2.2: A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.195 (180deg=-1.22) USER MOD Single : A 6 THR OG1 : rot 7:sc= -0.0346 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -49:sc= 0.485 USER MOD Single : A 30 GLN : amide:sc= -0.0423 K(o=-0.042,f=-1.8!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=-0.53) USER MOD Single : A 41 SER OG : rot 110:sc= 0.26 USER MOD Single : A 44 TYR OH : rot 180:sc=-0.00513 USER MOD Single : A 48 ASN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 49 ASN : amide:sc= -2.52! C(o=-2.5!,f=-4.9!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.63 USER MOD Single : A 56 THR OG1 : rot -94:sc= 0.554 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -153:sc= -3.5! (180deg=-4.21!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0193 K(o=-0.019,f=-2!) USER MOD Single : A 70 THR OG1 : rot 76:sc= 0.253 USER MOD Single : A 73 SER OG : rot -25:sc= 0.252 USER MOD Single : A 80 SER OG : rot -55:sc= -0.137! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.662 3.918 -1.119 1.00 0.00 N ATOM 2 CA MET A 1 -12.905 2.654 -0.891 1.00 0.00 C ATOM 3 C MET A 1 -11.927 2.840 0.259 1.00 0.00 C ATOM 4 O MET A 1 -11.319 3.903 0.397 1.00 0.00 O ATOM 5 CB MET A 1 -12.095 2.304 -2.142 1.00 0.00 C ATOM 6 CG MET A 1 -13.015 2.106 -3.347 1.00 0.00 C ATOM 7 SD MET A 1 -12.131 1.160 -4.617 1.00 0.00 S ATOM 8 CE MET A 1 -10.593 2.121 -4.620 1.00 0.00 C ATOM 0 H1 MET A 1 -14.666 3.698 -1.277 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.570 4.533 -0.285 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.279 4.406 -1.954 1.00 0.00 H new ATOM 0 HA MET A 1 -13.616 1.860 -0.662 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.380 3.099 -2.352 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.519 1.396 -1.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.920 1.578 -3.047 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.326 3.072 -3.746 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.047 1.931 -5.544 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.827 3.183 -4.549 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.979 1.828 -3.769 1.00 0.00 H new ATOM 20 N ARG A 2 -11.745 1.789 1.060 1.00 0.00 N ATOM 21 CA ARG A 2 -10.794 1.829 2.175 1.00 0.00 C ATOM 22 C ARG A 2 -9.757 0.724 1.976 1.00 0.00 C ATOM 23 O ARG A 2 -10.107 -0.422 1.694 1.00 0.00 O ATOM 24 CB ARG A 2 -11.515 1.649 3.516 1.00 0.00 C ATOM 25 CG ARG A 2 -12.355 2.894 3.822 1.00 0.00 C ATOM 26 CD ARG A 2 -13.050 2.724 5.176 1.00 0.00 C ATOM 27 NE ARG A 2 -13.856 3.901 5.486 1.00 0.00 N ATOM 28 CZ ARG A 2 -14.386 4.074 6.694 1.00 0.00 C ATOM 29 NH1 ARG A 2 -15.491 3.459 7.016 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.802 4.859 7.557 1.00 0.00 N ATOM 0 H ARG A 2 -12.240 0.903 0.959 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.301 2.801 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.154 0.767 3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.788 1.484 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.719 3.779 3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.096 3.047 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.683 1.837 5.158 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.306 2.569 5.957 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.016 4.603 4.764 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -15.948 2.846 6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.897 3.592 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.939 5.341 7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.209 4.991 8.483 1.00 0.00 H new ATOM 44 N ILE A 3 -8.485 1.086 2.095 1.00 0.00 N ATOM 45 CA ILE A 3 -7.388 0.131 1.897 1.00 0.00 C ATOM 46 C ILE A 3 -6.548 -0.004 3.161 1.00 0.00 C ATOM 47 O ILE A 3 -6.058 0.993 3.689 1.00 0.00 O ATOM 48 CB ILE A 3 -6.485 0.632 0.768 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.303 0.753 -0.522 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.336 -0.359 0.552 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.512 1.561 -1.551 1.00 0.00 C ATOM 0 H ILE A 3 -8.182 2.032 2.327 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.818 -0.840 1.650 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.077 1.607 1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.529 -0.238 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.257 1.239 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.693 -0.001 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.754 -0.447 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.742 -1.335 0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.092 1.648 -2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.309 2.556 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.570 1.056 -1.764 1.00 0.00 H new ATOM 63 N GLU A 4 -6.378 -1.235 3.644 1.00 0.00 N ATOM 64 CA GLU A 4 -5.581 -1.472 4.855 1.00 0.00 C ATOM 65 C GLU A 4 -4.453 -2.468 4.589 1.00 0.00 C ATOM 66 O GLU A 4 -4.674 -3.544 4.035 1.00 0.00 O ATOM 67 CB GLU A 4 -6.477 -1.993 5.979 1.00 0.00 C ATOM 68 CG GLU A 4 -7.562 -0.960 6.285 1.00 0.00 C ATOM 69 CD GLU A 4 -8.464 -1.466 7.403 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.472 -2.664 7.635 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.143 -0.651 8.005 1.00 0.00 O ATOM 0 H GLU A 4 -6.774 -2.076 3.224 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.136 -0.524 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.933 -2.939 5.687 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.883 -2.188 6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.104 -0.015 6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.153 -0.765 5.390 1.00 0.00 H new ATOM 78 N VAL A 5 -3.238 -2.077 4.974 1.00 0.00 N ATOM 79 CA VAL A 5 -2.051 -2.918 4.764 1.00 0.00 C ATOM 80 C VAL A 5 -1.374 -3.267 6.089 1.00 0.00 C ATOM 81 O VAL A 5 -1.160 -2.405 6.929 1.00 0.00 O ATOM 82 CB VAL A 5 -1.063 -2.176 3.866 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.181 -3.036 3.635 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.731 -1.862 2.525 1.00 0.00 C ATOM 0 H VAL A 5 -3.046 -1.186 5.432 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.367 -3.848 4.291 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.765 -1.246 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.880 -2.499 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.657 -3.251 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.107 -3.971 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.027 -1.332 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.033 -2.792 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.609 -1.238 2.693 1.00 0.00 H new ATOM 94 N THR A 6 -1.031 -4.548 6.265 1.00 0.00 N ATOM 95 CA THR A 6 -0.358 -5.004 7.489 1.00 0.00 C ATOM 96 C THR A 6 0.963 -5.670 7.140 1.00 0.00 C ATOM 97 O THR A 6 1.054 -6.458 6.199 1.00 0.00 O ATOM 98 CB THR A 6 -1.260 -5.969 8.256 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.770 -6.942 7.361 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.416 -5.188 8.887 1.00 0.00 C ATOM 0 H THR A 6 -1.206 -5.284 5.581 1.00 0.00 H new ATOM 0 HA THR A 6 -0.154 -4.142 8.125 1.00 0.00 H new ATOM 0 HB THR A 6 -0.689 -6.464 9.041 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.345 -6.835 6.484 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.062 -5.874 9.435 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.018 -4.439 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.992 -4.695 8.104 1.00 0.00 H new ATOM 108 N ILE A 7 1.981 -5.344 7.920 1.00 0.00 N ATOM 109 CA ILE A 7 3.321 -5.891 7.736 1.00 0.00 C ATOM 110 C ILE A 7 3.714 -6.718 8.961 1.00 0.00 C ATOM 111 O ILE A 7 3.530 -6.282 10.096 1.00 0.00 O ATOM 112 CB ILE A 7 4.292 -4.718 7.549 1.00 0.00 C ATOM 113 CG1 ILE A 7 4.143 -4.135 6.121 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.746 -5.168 7.804 1.00 0.00 C ATOM 115 CD1 ILE A 7 5.021 -4.900 5.114 1.00 0.00 C ATOM 0 H ILE A 7 1.904 -4.692 8.701 1.00 0.00 H new ATOM 0 HA ILE A 7 3.352 -6.541 6.862 1.00 0.00 H new ATOM 0 HB ILE A 7 4.049 -3.941 8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.099 -4.187 5.811 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.422 -3.081 6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.418 -4.321 7.666 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.838 -5.542 8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.010 -5.959 7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.896 -4.469 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.067 -4.825 5.413 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.723 -5.948 5.094 1.00 0.00 H new ATOM 127 N ALA A 8 4.249 -7.915 8.731 1.00 0.00 N ATOM 128 CA ALA A 8 4.650 -8.780 9.837 1.00 0.00 C ATOM 129 C ALA A 8 5.776 -8.144 10.638 1.00 0.00 C ATOM 130 O ALA A 8 6.767 -7.650 10.101 1.00 0.00 O ATOM 131 CB ALA A 8 5.115 -10.128 9.289 1.00 0.00 C ATOM 0 H ALA A 8 4.413 -8.304 7.802 1.00 0.00 H new ATOM 0 HA ALA A 8 3.792 -8.923 10.494 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.414 -10.773 10.115 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.300 -10.598 8.739 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.963 -9.976 8.622 1.00 0.00 H new ATOM 137 N LYS A 9 5.562 -8.164 11.950 1.00 0.00 N ATOM 138 CA LYS A 9 6.490 -7.598 12.914 1.00 0.00 C ATOM 139 C LYS A 9 7.854 -8.281 12.845 1.00 0.00 C ATOM 140 O LYS A 9 8.877 -7.667 13.148 1.00 0.00 O ATOM 141 CB LYS A 9 5.894 -7.682 14.327 1.00 0.00 C ATOM 142 CG LYS A 9 6.850 -7.091 15.379 1.00 0.00 C ATOM 143 CD LYS A 9 6.199 -7.205 16.761 1.00 0.00 C ATOM 144 CE LYS A 9 7.207 -6.801 17.838 1.00 0.00 C ATOM 145 NZ LYS A 9 6.543 -6.824 19.172 1.00 0.00 N ATOM 0 H LYS A 9 4.732 -8.578 12.374 1.00 0.00 H new ATOM 0 HA LYS A 9 6.647 -6.548 12.665 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.945 -7.147 14.355 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.681 -8.723 14.572 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.801 -7.623 15.365 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.065 -6.048 15.149 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.319 -6.564 16.814 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.860 -8.227 16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.057 -7.484 17.831 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.597 -5.804 17.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.227 -6.549 19.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.746 -6.156 19.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.191 -7.783 19.368 1.00 0.00 H new ATOM 159 N THR A 10 7.870 -9.545 12.423 1.00 0.00 N ATOM 160 CA THR A 10 9.119 -10.289 12.296 1.00 0.00 C ATOM 161 C THR A 10 10.004 -9.616 11.256 1.00 0.00 C ATOM 162 O THR A 10 11.185 -9.940 11.128 1.00 0.00 O ATOM 163 CB THR A 10 8.829 -11.729 11.856 1.00 0.00 C ATOM 164 OG1 THR A 10 7.968 -11.713 10.727 1.00 0.00 O ATOM 165 CG2 THR A 10 8.162 -12.499 13.000 1.00 0.00 C ATOM 0 H THR A 10 7.036 -10.072 12.165 1.00 0.00 H new ATOM 0 HA THR A 10 9.626 -10.303 13.261 1.00 0.00 H new ATOM 0 HB THR A 10 9.766 -12.221 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.783 -12.633 10.444 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.959 -13.521 12.681 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.826 -12.514 13.864 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.226 -12.010 13.270 1.00 0.00 H new ATOM 173 N SER A 11 9.428 -8.669 10.517 1.00 0.00 N ATOM 174 CA SER A 11 10.165 -7.934 9.484 1.00 0.00 C ATOM 175 C SER A 11 10.117 -6.431 9.772 1.00 0.00 C ATOM 176 O SER A 11 9.304 -5.710 9.194 1.00 0.00 O ATOM 177 CB SER A 11 9.536 -8.203 8.117 1.00 0.00 C ATOM 178 OG SER A 11 9.564 -9.600 7.855 1.00 0.00 O ATOM 0 H SER A 11 8.451 -8.391 10.613 1.00 0.00 H new ATOM 0 HA SER A 11 11.203 -8.268 9.486 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.509 -7.838 8.098 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.080 -7.665 7.341 1.00 0.00 H new ATOM 0 HG SER A 11 9.160 -9.777 6.980 1.00 0.00 H new ATOM 184 N PRO A 12 10.962 -5.945 10.654 1.00 0.00 N ATOM 185 CA PRO A 12 11.007 -4.505 11.022 1.00 0.00 C ATOM 186 C PRO A 12 11.615 -3.612 9.935 1.00 0.00 C ATOM 187 O PRO A 12 12.688 -3.903 9.406 1.00 0.00 O ATOM 188 CB PRO A 12 11.800 -4.447 12.347 1.00 0.00 C ATOM 189 CG PRO A 12 12.177 -5.872 12.675 1.00 0.00 C ATOM 190 CD PRO A 12 11.978 -6.700 11.399 1.00 0.00 C ATOM 0 HA PRO A 12 9.999 -4.106 11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.688 -3.824 12.242 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.197 -4.011 13.143 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.212 -5.928 13.012 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.557 -6.257 13.484 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.905 -6.793 10.832 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.640 -7.711 11.626 1.00 0.00 H new ATOM 198 N LEU A 13 10.937 -2.498 9.644 1.00 0.00 N ATOM 199 CA LEU A 13 11.426 -1.529 8.664 1.00 0.00 C ATOM 200 C LEU A 13 11.970 -0.318 9.433 1.00 0.00 C ATOM 201 O LEU A 13 11.466 -0.007 10.513 1.00 0.00 O ATOM 202 CB LEU A 13 10.290 -1.095 7.729 1.00 0.00 C ATOM 203 CG LEU A 13 9.527 -2.327 7.209 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.545 -1.907 6.103 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.515 -3.362 6.645 1.00 0.00 C ATOM 0 H LEU A 13 10.047 -2.246 10.075 1.00 0.00 H new ATOM 0 HA LEU A 13 12.210 -1.975 8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.606 -0.432 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.696 -0.529 6.890 1.00 0.00 H new ATOM 0 HG LEU A 13 8.974 -2.770 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.009 -2.784 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.832 -1.186 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.097 -1.453 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.965 -4.229 6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.078 -2.918 5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.203 -3.674 7.431 1.00 0.00 H new ATOM 217 N PRO A 14 12.995 0.347 8.953 1.00 0.00 N ATOM 218 CA PRO A 14 13.584 1.500 9.691 1.00 0.00 C ATOM 219 C PRO A 14 12.511 2.457 10.228 1.00 0.00 C ATOM 220 O PRO A 14 11.438 2.612 9.647 1.00 0.00 O ATOM 221 CB PRO A 14 14.544 2.179 8.692 1.00 0.00 C ATOM 222 CG PRO A 14 14.450 1.395 7.400 1.00 0.00 C ATOM 223 CD PRO A 14 13.701 0.086 7.693 1.00 0.00 C ATOM 0 HA PRO A 14 14.116 1.173 10.584 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.265 3.221 8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.565 2.176 9.073 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.924 1.973 6.641 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.445 1.185 7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.006 -0.162 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.390 -0.753 7.789 1.00 0.00 H new ATOM 231 N ALA A 15 12.840 3.050 11.376 1.00 0.00 N ATOM 232 CA ALA A 15 11.963 3.978 12.098 1.00 0.00 C ATOM 233 C ALA A 15 11.505 5.166 11.246 1.00 0.00 C ATOM 234 O ALA A 15 11.600 6.313 11.682 1.00 0.00 O ATOM 235 CB ALA A 15 12.726 4.513 13.309 1.00 0.00 C ATOM 0 H ALA A 15 13.736 2.898 11.839 1.00 0.00 H new ATOM 0 HA ALA A 15 11.068 3.425 12.385 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.092 5.206 13.861 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.007 3.683 13.957 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.624 5.032 12.973 1.00 0.00 H new ATOM 241 N GLY A 16 11.014 4.904 10.042 1.00 0.00 N ATOM 242 CA GLY A 16 10.558 5.978 9.165 1.00 0.00 C ATOM 243 C GLY A 16 9.946 5.415 7.891 1.00 0.00 C ATOM 244 O GLY A 16 9.282 6.122 7.133 1.00 0.00 O ATOM 0 H GLY A 16 10.921 3.966 9.651 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.823 6.591 9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.396 6.629 8.914 1.00 0.00 H new ATOM 248 N ALA A 17 10.241 4.148 7.641 1.00 0.00 N ATOM 249 CA ALA A 17 9.791 3.484 6.425 1.00 0.00 C ATOM 250 C ALA A 17 8.283 3.218 6.345 1.00 0.00 C ATOM 251 O ALA A 17 7.693 3.378 5.277 1.00 0.00 O ATOM 252 CB ALA A 17 10.594 2.198 6.207 1.00 0.00 C ATOM 0 H ALA A 17 10.791 3.557 8.265 1.00 0.00 H new ATOM 0 HA ALA A 17 9.981 4.189 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.253 1.706 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.652 2.441 6.113 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.449 1.530 7.056 1.00 0.00 H new ATOM 258 N ILE A 18 7.657 2.818 7.441 1.00 0.00 N ATOM 259 CA ILE A 18 6.220 2.552 7.402 1.00 0.00 C ATOM 260 C ILE A 18 5.473 3.818 6.996 1.00 0.00 C ATOM 261 O ILE A 18 4.637 3.796 6.093 1.00 0.00 O ATOM 262 CB ILE A 18 5.739 2.067 8.777 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.298 0.651 9.054 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.204 2.056 8.829 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.415 -0.438 8.419 1.00 0.00 C ATOM 0 H ILE A 18 8.102 2.672 8.347 1.00 0.00 H new ATOM 0 HA ILE A 18 6.019 1.772 6.667 1.00 0.00 H new ATOM 0 HB ILE A 18 6.104 2.749 9.545 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.311 0.575 8.660 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.362 0.488 10.130 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.876 1.710 9.809 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.827 3.064 8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.819 1.386 8.060 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.837 -1.420 8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.409 -0.378 8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.373 -0.289 7.340 1.00 0.00 H new ATOM 277 N ASP A 19 5.795 4.925 7.657 1.00 0.00 N ATOM 278 CA ASP A 19 5.153 6.189 7.328 1.00 0.00 C ATOM 279 C ASP A 19 5.445 6.524 5.873 1.00 0.00 C ATOM 280 O ASP A 19 4.579 7.042 5.169 1.00 0.00 O ATOM 281 CB ASP A 19 5.607 7.313 8.262 1.00 0.00 C ATOM 282 CG ASP A 19 4.814 8.584 7.976 1.00 0.00 C ATOM 283 OD1 ASP A 19 3.908 8.523 7.161 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.125 9.599 8.575 1.00 0.00 O ATOM 0 H ASP A 19 6.483 4.972 8.409 1.00 0.00 H new ATOM 0 HA ASP A 19 4.077 6.089 7.467 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.466 7.013 9.300 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.672 7.501 8.126 1.00 0.00 H new ATOM 289 N ALA A 20 6.659 6.230 5.412 1.00 0.00 N ATOM 290 CA ALA A 20 6.998 6.521 4.028 1.00 0.00 C ATOM 291 C ALA A 20 6.186 5.648 3.065 1.00 0.00 C ATOM 292 O ALA A 20 5.699 6.126 2.041 1.00 0.00 O ATOM 293 CB ALA A 20 8.501 6.338 3.789 1.00 0.00 C ATOM 0 H ALA A 20 7.404 5.802 5.962 1.00 0.00 H new ATOM 0 HA ALA A 20 6.743 7.562 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.734 6.561 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.058 7.014 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.782 5.309 4.012 1.00 0.00 H new ATOM 299 N LEU A 21 6.037 4.368 3.407 1.00 0.00 N ATOM 300 CA LEU A 21 5.284 3.433 2.592 1.00 0.00 C ATOM 301 C LEU A 21 3.835 3.884 2.446 1.00 0.00 C ATOM 302 O LEU A 21 3.288 3.910 1.345 1.00 0.00 O ATOM 303 CB LEU A 21 5.387 2.043 3.247 1.00 0.00 C ATOM 304 CG LEU A 21 4.454 1.036 2.575 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.834 0.847 1.104 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.561 -0.311 3.297 1.00 0.00 C ATOM 0 H LEU A 21 6.435 3.959 4.252 1.00 0.00 H new ATOM 0 HA LEU A 21 5.696 3.390 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.415 1.686 3.185 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.140 2.119 4.306 1.00 0.00 H new ATOM 0 HG LEU A 21 3.433 1.414 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.158 0.126 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.757 1.801 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.858 0.478 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.897 -1.033 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.588 -0.672 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.274 -0.188 4.341 1.00 0.00 H new ATOM 318 N ALA A 22 3.222 4.240 3.572 1.00 0.00 N ATOM 319 CA ALA A 22 1.838 4.694 3.568 1.00 0.00 C ATOM 320 C ALA A 22 1.696 5.938 2.693 1.00 0.00 C ATOM 321 O ALA A 22 0.710 6.076 1.969 1.00 0.00 O ATOM 322 CB ALA A 22 1.360 4.998 4.990 1.00 0.00 C ATOM 0 H ALA A 22 3.660 4.222 4.493 1.00 0.00 H new ATOM 0 HA ALA A 22 1.218 3.896 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.324 5.335 4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.431 4.096 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.984 5.779 5.424 1.00 0.00 H new ATOM 328 N GLY A 23 2.668 6.831 2.742 1.00 0.00 N ATOM 329 CA GLY A 23 2.625 8.042 1.929 1.00 0.00 C ATOM 330 C GLY A 23 2.772 7.739 0.439 1.00 0.00 C ATOM 331 O GLY A 23 2.019 8.276 -0.373 1.00 0.00 O ATOM 0 H GLY A 23 3.495 6.745 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.682 8.561 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.422 8.717 2.242 1.00 0.00 H new ATOM 335 N GLU A 24 3.725 6.894 0.066 1.00 0.00 N ATOM 336 CA GLU A 24 3.900 6.580 -1.350 1.00 0.00 C ATOM 337 C GLU A 24 2.656 5.875 -1.892 1.00 0.00 C ATOM 338 O GLU A 24 2.230 6.135 -3.016 1.00 0.00 O ATOM 339 CB GLU A 24 5.164 5.722 -1.542 1.00 0.00 C ATOM 340 CG GLU A 24 5.452 5.525 -3.035 1.00 0.00 C ATOM 341 CD GLU A 24 5.913 6.839 -3.657 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.345 7.704 -2.914 1.00 0.00 O ATOM 343 OE2 GLU A 24 5.828 6.958 -4.868 1.00 0.00 O ATOM 0 H GLU A 24 4.372 6.425 0.700 1.00 0.00 H new ATOM 0 HA GLU A 24 4.029 7.504 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.015 6.204 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.031 4.754 -1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.219 4.762 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.556 5.168 -3.542 1.00 0.00 H new ATOM 350 N LEU A 25 2.085 4.977 -1.095 1.00 0.00 N ATOM 351 CA LEU A 25 0.899 4.243 -1.533 1.00 0.00 C ATOM 352 C LEU A 25 -0.326 5.139 -1.738 1.00 0.00 C ATOM 353 O LEU A 25 -1.050 4.983 -2.718 1.00 0.00 O ATOM 354 CB LEU A 25 0.551 3.123 -0.548 1.00 0.00 C ATOM 355 CG LEU A 25 1.594 1.997 -0.621 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.325 1.009 0.517 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.512 1.257 -1.981 1.00 0.00 C ATOM 0 H LEU A 25 2.415 4.742 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 25 1.158 3.817 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.509 3.522 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.438 2.725 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 25 2.592 2.426 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.057 0.203 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.403 1.526 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.323 0.594 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.260 0.464 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.519 0.824 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.700 1.962 -2.791 1.00 0.00 H new ATOM 369 N SER A 26 -0.567 6.062 -0.816 1.00 0.00 N ATOM 370 CA SER A 26 -1.729 6.946 -0.929 1.00 0.00 C ATOM 371 C SER A 26 -1.683 7.774 -2.203 1.00 0.00 C ATOM 372 O SER A 26 -2.684 7.892 -2.909 1.00 0.00 O ATOM 373 CB SER A 26 -1.781 7.886 0.277 1.00 0.00 C ATOM 374 OG SER A 26 -0.685 8.790 0.213 1.00 0.00 O ATOM 0 H SER A 26 0.014 6.220 0.007 1.00 0.00 H new ATOM 0 HA SER A 26 -2.620 6.319 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.722 8.436 0.284 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.741 7.312 1.203 1.00 0.00 H new ATOM 0 HG SER A 26 0.142 8.290 0.048 1.00 0.00 H new ATOM 380 N ARG A 27 -0.530 8.348 -2.498 1.00 0.00 N ATOM 381 CA ARG A 27 -0.396 9.159 -3.698 1.00 0.00 C ATOM 382 C ARG A 27 -0.701 8.312 -4.929 1.00 0.00 C ATOM 383 O ARG A 27 -1.367 8.773 -5.857 1.00 0.00 O ATOM 384 CB ARG A 27 1.023 9.718 -3.783 1.00 0.00 C ATOM 385 CG ARG A 27 1.173 10.572 -5.041 1.00 0.00 C ATOM 386 CD ARG A 27 2.521 11.294 -5.000 1.00 0.00 C ATOM 387 NE ARG A 27 3.613 10.331 -5.115 1.00 0.00 N ATOM 388 CZ ARG A 27 3.982 9.844 -6.296 1.00 0.00 C ATOM 389 NH1 ARG A 27 3.247 8.946 -6.890 1.00 0.00 N ATOM 390 NH2 ARG A 27 5.082 10.264 -6.858 1.00 0.00 N ATOM 0 H ARG A 27 0.316 8.271 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.103 9.988 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.240 10.317 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.744 8.901 -3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.109 9.945 -5.930 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.361 11.296 -5.103 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.578 12.019 -5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.615 11.852 -4.068 1.00 0.00 H new ATOM 0 HE ARG A 27 4.102 10.026 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.388 8.617 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.531 8.573 -7.796 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.658 10.965 -6.391 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.366 9.891 -7.764 1.00 0.00 H new ATOM 404 N ARG A 28 -0.215 7.077 -4.938 1.00 0.00 N ATOM 405 CA ARG A 28 -0.451 6.190 -6.068 1.00 0.00 C ATOM 406 C ARG A 28 -1.941 5.867 -6.224 1.00 0.00 C ATOM 407 O ARG A 28 -2.462 5.808 -7.338 1.00 0.00 O ATOM 408 CB ARG A 28 0.362 4.905 -5.894 1.00 0.00 C ATOM 409 CG ARG A 28 0.133 3.952 -7.071 1.00 0.00 C ATOM 410 CD ARG A 28 0.527 4.618 -8.394 1.00 0.00 C ATOM 411 NE ARG A 28 0.708 3.612 -9.432 1.00 0.00 N ATOM 412 CZ ARG A 28 1.017 3.963 -10.675 1.00 0.00 C ATOM 413 NH1 ARG A 28 0.209 4.729 -11.355 1.00 0.00 N ATOM 414 NH2 ARG A 28 2.130 3.546 -11.214 1.00 0.00 N ATOM 0 H ARG A 28 0.339 6.671 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.129 6.699 -6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.422 5.148 -5.818 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.080 4.414 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.717 3.043 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.915 3.655 -7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.244 5.327 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.448 5.185 -8.263 1.00 0.00 H new ATOM 0 HE ARG A 28 0.596 2.625 -9.201 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.659 5.058 -10.932 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.445 4.999 -12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.763 2.950 -10.681 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.367 3.816 -12.169 1.00 0.00 H new ATOM 428 N ILE A 29 -2.614 5.657 -5.091 1.00 0.00 N ATOM 429 CA ILE A 29 -4.044 5.335 -5.099 1.00 0.00 C ATOM 430 C ILE A 29 -4.872 6.502 -5.628 1.00 0.00 C ATOM 431 O ILE A 29 -5.774 6.315 -6.445 1.00 0.00 O ATOM 432 CB ILE A 29 -4.512 4.942 -3.681 1.00 0.00 C ATOM 433 CG1 ILE A 29 -3.918 3.571 -3.283 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.047 4.869 -3.614 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.353 2.455 -4.254 1.00 0.00 C ATOM 0 H ILE A 29 -2.196 5.703 -4.162 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.194 4.488 -5.768 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.163 5.706 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.830 3.637 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.235 3.317 -2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.354 4.591 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.469 5.842 -3.866 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.407 4.123 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.915 1.508 -3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.440 2.371 -4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.013 2.696 -5.261 1.00 0.00 H new ATOM 447 N GLN A 30 -4.554 7.701 -5.171 1.00 0.00 N ATOM 448 CA GLN A 30 -5.279 8.885 -5.626 1.00 0.00 C ATOM 449 C GLN A 30 -5.111 9.065 -7.125 1.00 0.00 C ATOM 450 O GLN A 30 -6.070 9.427 -7.808 1.00 0.00 O ATOM 451 CB GLN A 30 -4.804 10.157 -4.903 1.00 0.00 C ATOM 452 CG GLN A 30 -5.276 10.175 -3.439 1.00 0.00 C ATOM 453 CD GLN A 30 -4.647 11.363 -2.717 1.00 0.00 C ATOM 454 OE1 GLN A 30 -3.685 11.952 -3.211 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.134 11.753 -1.571 1.00 0.00 N ATOM 0 H GLN A 30 -3.812 7.884 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.332 8.730 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.716 10.213 -4.938 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.185 11.037 -5.421 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.363 10.244 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.996 9.245 -2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.931 11.264 -1.163 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.718 12.546 -1.083 1.00 0.00 H new ATOM 464 N TYR A 31 -3.914 8.824 -7.660 1.00 0.00 N ATOM 465 CA TYR A 31 -3.708 8.986 -9.088 1.00 0.00 C ATOM 466 C TYR A 31 -4.520 7.942 -9.857 1.00 0.00 C ATOM 467 O TYR A 31 -5.097 8.245 -10.902 1.00 0.00 O ATOM 468 CB TYR A 31 -2.223 8.871 -9.434 1.00 0.00 C ATOM 469 CG TYR A 31 -2.040 9.044 -10.922 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.037 10.329 -11.479 1.00 0.00 C ATOM 471 CD2 TYR A 31 -1.875 7.923 -11.744 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.870 10.493 -12.858 1.00 0.00 C ATOM 473 CE2 TYR A 31 -1.706 8.087 -13.124 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.704 9.372 -13.681 1.00 0.00 C ATOM 475 OH TYR A 31 -1.540 9.534 -15.041 1.00 0.00 O ATOM 0 H TYR A 31 -3.093 8.523 -7.135 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.049 9.979 -9.379 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.653 9.629 -8.896 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.839 7.900 -9.120 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.164 11.193 -10.844 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.878 6.932 -11.314 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.869 11.484 -13.288 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.577 7.223 -13.759 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.437 8.656 -15.465 1.00 0.00 H new ATOM 485 N ALA A 32 -4.562 6.719 -9.344 1.00 0.00 N ATOM 486 CA ALA A 32 -5.307 5.644 -10.001 1.00 0.00 C ATOM 487 C ALA A 32 -6.815 5.858 -9.903 1.00 0.00 C ATOM 488 O ALA A 32 -7.562 5.531 -10.826 1.00 0.00 O ATOM 489 CB ALA A 32 -4.949 4.305 -9.354 1.00 0.00 C ATOM 0 H ALA A 32 -4.093 6.444 -8.481 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.031 5.645 -11.055 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.504 3.505 -9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.880 4.123 -9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.208 4.332 -8.296 1.00 0.00 H new ATOM 495 N PHE A 33 -7.255 6.396 -8.766 1.00 0.00 N ATOM 496 CA PHE A 33 -8.680 6.643 -8.524 1.00 0.00 C ATOM 497 C PHE A 33 -8.942 8.130 -8.272 1.00 0.00 C ATOM 498 O PHE A 33 -8.937 8.576 -7.124 1.00 0.00 O ATOM 499 CB PHE A 33 -9.125 5.843 -7.301 1.00 0.00 C ATOM 500 CG PHE A 33 -9.003 4.367 -7.597 1.00 0.00 C ATOM 501 CD1 PHE A 33 -10.028 3.706 -8.286 1.00 0.00 C ATOM 502 CD2 PHE A 33 -7.867 3.661 -7.183 1.00 0.00 C ATOM 503 CE1 PHE A 33 -9.914 2.337 -8.560 1.00 0.00 C ATOM 504 CE2 PHE A 33 -7.754 2.294 -7.458 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.778 1.631 -8.146 1.00 0.00 C ATOM 0 H PHE A 33 -6.646 6.670 -7.995 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.241 6.335 -9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.512 6.104 -6.439 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.155 6.090 -7.046 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -10.904 4.251 -8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.078 4.172 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -10.703 1.826 -9.091 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.877 1.750 -7.140 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.691 0.575 -8.357 1.00 0.00 H new ATOM 515 N PRO A 34 -9.171 8.904 -9.306 1.00 0.00 N ATOM 516 CA PRO A 34 -9.437 10.365 -9.165 1.00 0.00 C ATOM 517 C PRO A 34 -10.834 10.680 -8.614 1.00 0.00 C ATOM 518 O PRO A 34 -11.067 11.743 -8.040 1.00 0.00 O ATOM 519 CB PRO A 34 -9.287 10.926 -10.608 1.00 0.00 C ATOM 520 CG PRO A 34 -8.926 9.764 -11.499 1.00 0.00 C ATOM 521 CD PRO A 34 -9.198 8.480 -10.713 1.00 0.00 C ATOM 0 HA PRO A 34 -8.749 10.812 -8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.215 11.392 -10.939 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.515 11.694 -10.645 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.517 9.785 -12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.878 9.818 -11.794 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.162 8.047 -10.980 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.441 7.722 -10.915 1.00 0.00 H new ATOM 529 N ASP A 35 -11.766 9.759 -8.863 1.00 0.00 N ATOM 530 CA ASP A 35 -13.167 9.942 -8.465 1.00 0.00 C ATOM 531 C ASP A 35 -13.529 9.304 -7.120 1.00 0.00 C ATOM 532 O ASP A 35 -14.655 9.495 -6.659 1.00 0.00 O ATOM 533 CB ASP A 35 -14.067 9.329 -9.537 1.00 0.00 C ATOM 534 CG ASP A 35 -13.793 7.834 -9.650 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.046 7.325 -8.830 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.336 7.219 -10.552 1.00 0.00 O ATOM 0 H ASP A 35 -11.578 8.877 -9.339 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.314 11.017 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.114 9.498 -9.286 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.887 9.814 -10.496 1.00 0.00 H new ATOM 541 N ASN A 36 -12.640 8.520 -6.500 1.00 0.00 N ATOM 542 CA ASN A 36 -12.994 7.854 -5.226 1.00 0.00 C ATOM 543 C ASN A 36 -11.996 8.140 -4.117 1.00 0.00 C ATOM 544 O ASN A 36 -10.796 7.952 -4.315 1.00 0.00 O ATOM 545 CB ASN A 36 -13.006 6.342 -5.454 1.00 0.00 C ATOM 546 CG ASN A 36 -13.462 5.633 -4.185 1.00 0.00 C ATOM 547 OD1 ASN A 36 -12.638 5.273 -3.345 1.00 0.00 O ATOM 548 ND2 ASN A 36 -14.733 5.405 -3.996 1.00 0.00 N ATOM 0 H ASN A 36 -11.697 8.330 -6.840 1.00 0.00 H new ATOM 0 HA ASN A 36 -13.967 8.238 -4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -13.673 6.095 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.010 5.999 -5.735 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -15.045 4.927 -3.151 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.414 5.704 -4.694 1.00 0.00 H new ATOM 555 N GLU A 37 -12.454 8.552 -2.946 1.00 0.00 N ATOM 556 CA GLU A 37 -11.544 8.797 -1.841 1.00 0.00 C ATOM 557 C GLU A 37 -10.841 7.506 -1.420 1.00 0.00 C ATOM 558 O GLU A 37 -11.492 6.527 -1.058 1.00 0.00 O ATOM 559 CB GLU A 37 -12.394 9.250 -0.647 1.00 0.00 C ATOM 560 CG GLU A 37 -12.960 10.650 -0.908 1.00 0.00 C ATOM 561 CD GLU A 37 -11.842 11.689 -0.867 1.00 0.00 C ATOM 562 OE1 GLU A 37 -10.806 11.392 -0.296 1.00 0.00 O ATOM 563 OE2 GLU A 37 -12.039 12.764 -1.409 1.00 0.00 O ATOM 0 H GLU A 37 -13.438 8.722 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.802 9.536 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.208 8.545 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.789 9.257 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.454 10.675 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.716 10.889 -0.160 1.00 0.00 H new ATOM 570 N GLY A 38 -9.516 7.525 -1.430 1.00 0.00 N ATOM 571 CA GLY A 38 -8.754 6.345 -0.996 1.00 0.00 C ATOM 572 C GLY A 38 -8.045 6.582 0.327 1.00 0.00 C ATOM 573 O GLY A 38 -7.280 7.542 0.428 1.00 0.00 O ATOM 0 H GLY A 38 -8.950 8.320 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.428 5.494 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.020 6.086 -1.759 1.00 0.00 H new ATOM 577 N HIS A 39 -8.255 5.732 1.341 1.00 0.00 N ATOM 578 CA HIS A 39 -7.570 5.920 2.628 1.00 0.00 C ATOM 579 C HIS A 39 -6.663 4.722 2.862 1.00 0.00 C ATOM 580 O HIS A 39 -7.125 3.581 2.821 1.00 0.00 O ATOM 581 CB HIS A 39 -8.601 6.017 3.756 1.00 0.00 C ATOM 582 CG HIS A 39 -7.924 6.448 5.027 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.257 5.555 5.851 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.809 7.674 5.633 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.775 6.252 6.896 1.00 0.00 C ATOM 586 NE2 HIS A 39 -7.082 7.548 6.813 1.00 0.00 N ATOM 0 H HIS A 39 -8.878 4.926 1.299 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.985 6.839 2.612 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.381 6.730 3.488 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.087 5.052 3.901 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.220 8.597 5.252 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.208 5.815 7.705 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.837 8.287 7.472 1.00 0.00 H new ATOM 594 N VAL A 40 -5.368 4.964 3.062 1.00 0.00 N ATOM 595 CA VAL A 40 -4.411 3.880 3.244 1.00 0.00 C ATOM 596 C VAL A 40 -3.827 3.879 4.653 1.00 0.00 C ATOM 597 O VAL A 40 -3.347 4.905 5.137 1.00 0.00 O ATOM 598 CB VAL A 40 -3.299 4.051 2.211 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.269 2.929 2.369 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.915 3.998 0.804 1.00 0.00 C ATOM 0 H VAL A 40 -4.961 5.899 3.102 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.918 2.925 3.107 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.802 5.010 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.478 3.055 1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.840 2.967 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.755 1.965 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.129 4.119 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.408 3.037 0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.645 4.800 0.696 1.00 0.00 H new ATOM 610 N SER A 41 -3.853 2.712 5.297 1.00 0.00 N ATOM 611 CA SER A 41 -3.301 2.568 6.650 1.00 0.00 C ATOM 612 C SER A 41 -2.277 1.443 6.681 1.00 0.00 C ATOM 613 O SER A 41 -2.474 0.393 6.069 1.00 0.00 O ATOM 614 CB SER A 41 -4.413 2.306 7.666 1.00 0.00 C ATOM 615 OG SER A 41 -3.836 2.087 8.948 1.00 0.00 O ATOM 0 H SER A 41 -4.247 1.855 4.909 1.00 0.00 H new ATOM 0 HA SER A 41 -2.807 3.501 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.096 3.155 7.702 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.999 1.438 7.365 1.00 0.00 H new ATOM 0 HG SER A 41 -4.038 2.848 9.532 1.00 0.00 H new ATOM 621 N VAL A 42 -1.184 1.666 7.416 1.00 0.00 N ATOM 622 CA VAL A 42 -0.131 0.653 7.541 1.00 0.00 C ATOM 623 C VAL A 42 0.203 0.435 9.013 1.00 0.00 C ATOM 624 O VAL A 42 0.489 1.387 9.740 1.00 0.00 O ATOM 625 CB VAL A 42 1.128 1.072 6.772 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.143 -0.073 6.799 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.774 1.410 5.317 1.00 0.00 C ATOM 0 H VAL A 42 -1.005 2.529 7.929 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.497 -0.280 7.111 1.00 0.00 H new ATOM 0 HB VAL A 42 1.556 1.956 7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.039 0.222 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.406 -0.302 7.832 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.708 -0.956 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.677 1.706 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.338 0.535 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.056 2.230 5.298 1.00 0.00 H new ATOM 637 N ARG A 43 0.170 -0.831 9.452 1.00 0.00 N ATOM 638 CA ARG A 43 0.473 -1.155 10.851 1.00 0.00 C ATOM 639 C ARG A 43 1.149 -2.520 10.960 1.00 0.00 C ATOM 640 O ARG A 43 1.029 -3.356 10.066 1.00 0.00 O ATOM 641 CB ARG A 43 -0.813 -1.173 11.685 1.00 0.00 C ATOM 642 CG ARG A 43 -1.638 0.081 11.395 1.00 0.00 C ATOM 643 CD ARG A 43 -2.801 0.172 12.386 1.00 0.00 C ATOM 644 NE ARG A 43 -3.752 1.188 11.949 1.00 0.00 N ATOM 645 CZ ARG A 43 -4.619 1.734 12.797 1.00 0.00 C ATOM 646 NH1 ARG A 43 -5.107 1.027 13.781 1.00 0.00 N ATOM 647 NH2 ARG A 43 -4.982 2.978 12.646 1.00 0.00 N ATOM 0 H ARG A 43 -0.060 -1.635 8.868 1.00 0.00 H new ATOM 0 HA ARG A 43 1.148 -0.388 11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.396 -2.064 11.452 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.568 -1.221 12.746 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.010 0.968 11.474 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.019 0.050 10.374 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.299 -0.794 12.464 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.425 0.418 13.379 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.752 1.486 10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.823 0.055 13.900 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.772 1.447 14.430 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.601 3.531 11.878 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.647 3.398 13.296 1.00 0.00 H new ATOM 661 N TYR A 44 1.834 -2.749 12.079 1.00 0.00 N ATOM 662 CA TYR A 44 2.493 -4.033 12.311 1.00 0.00 C ATOM 663 C TYR A 44 1.473 -5.028 12.849 1.00 0.00 C ATOM 664 O TYR A 44 0.625 -4.682 13.672 1.00 0.00 O ATOM 665 CB TYR A 44 3.634 -3.907 13.325 1.00 0.00 C ATOM 666 CG TYR A 44 4.802 -3.146 12.740 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.535 -3.696 11.681 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.171 -1.903 13.276 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.633 -3.004 11.158 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.266 -1.211 12.750 1.00 0.00 C ATOM 671 CZ TYR A 44 6.999 -1.761 11.691 1.00 0.00 C ATOM 672 OH TYR A 44 8.083 -1.081 11.176 1.00 0.00 O ATOM 0 H TYR A 44 1.947 -2.070 12.832 1.00 0.00 H new ATOM 0 HA TYR A 44 2.909 -4.373 11.363 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.275 -3.397 14.219 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.961 -4.900 13.634 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.253 -4.653 11.268 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.609 -1.480 14.096 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.199 -3.429 10.342 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.547 -0.252 13.160 1.00 0.00 H new ATOM 0 HH TYR A 44 8.198 -0.236 11.659 1.00 0.00 H new ATOM 682 N ALA A 45 1.560 -6.272 12.374 1.00 0.00 N ATOM 683 CA ALA A 45 0.648 -7.332 12.799 1.00 0.00 C ATOM 684 C ALA A 45 1.416 -8.644 12.918 1.00 0.00 C ATOM 685 O ALA A 45 2.552 -8.743 12.458 1.00 0.00 O ATOM 686 CB ALA A 45 -0.488 -7.484 11.784 1.00 0.00 C ATOM 0 H ALA A 45 2.257 -6.570 11.691 1.00 0.00 H new ATOM 0 HA ALA A 45 0.221 -7.073 13.768 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.163 -8.276 12.109 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.038 -6.546 11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.073 -7.738 10.809 1.00 0.00 H new ATOM 692 N ALA A 46 0.805 -9.649 13.535 1.00 0.00 N ATOM 693 CA ALA A 46 1.478 -10.934 13.686 1.00 0.00 C ATOM 694 C ALA A 46 1.818 -11.514 12.314 1.00 0.00 C ATOM 695 O ALA A 46 2.760 -12.298 12.191 1.00 0.00 O ATOM 696 CB ALA A 46 0.622 -11.910 14.493 1.00 0.00 C ATOM 0 H ALA A 46 -0.134 -9.603 13.931 1.00 0.00 H new ATOM 0 HA ALA A 46 2.406 -10.775 14.236 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.147 -12.860 14.591 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.434 -11.496 15.484 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.327 -12.071 13.981 1.00 0.00 H new ATOM 702 N ALA A 47 1.037 -11.164 11.284 1.00 0.00 N ATOM 703 CA ALA A 47 1.275 -11.712 9.941 1.00 0.00 C ATOM 704 C ALA A 47 1.089 -10.671 8.836 1.00 0.00 C ATOM 705 O ALA A 47 0.289 -9.745 8.970 1.00 0.00 O ATOM 706 CB ALA A 47 0.330 -12.890 9.692 1.00 0.00 C ATOM 0 H ALA A 47 0.251 -10.518 11.350 1.00 0.00 H new ATOM 0 HA ALA A 47 2.314 -12.039 9.908 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.508 -13.295 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.511 -13.665 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.703 -12.550 9.766 1.00 0.00 H new ATOM 712 N ASN A 48 1.798 -10.864 7.722 1.00 0.00 N ATOM 713 CA ASN A 48 1.664 -9.970 6.573 1.00 0.00 C ATOM 714 C ASN A 48 0.301 -10.231 5.938 1.00 0.00 C ATOM 715 O ASN A 48 -0.018 -11.371 5.603 1.00 0.00 O ATOM 716 CB ASN A 48 2.772 -10.256 5.554 1.00 0.00 C ATOM 717 CG ASN A 48 2.641 -9.318 4.358 1.00 0.00 C ATOM 718 OD1 ASN A 48 2.117 -9.708 3.315 1.00 0.00 O ATOM 719 ND2 ASN A 48 3.096 -8.097 4.446 1.00 0.00 N ATOM 0 H ASN A 48 2.465 -11.625 7.592 1.00 0.00 H new ATOM 0 HA ASN A 48 1.748 -8.930 6.890 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.748 -10.127 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.712 -11.292 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.017 -7.465 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.530 -7.776 5.311 1.00 0.00 H new ATOM 726 N ASN A 49 -0.502 -9.184 5.765 1.00 0.00 N ATOM 727 CA ASN A 49 -1.826 -9.331 5.161 1.00 0.00 C ATOM 728 C ASN A 49 -2.239 -8.035 4.461 1.00 0.00 C ATOM 729 O ASN A 49 -1.854 -6.943 4.878 1.00 0.00 O ATOM 730 CB ASN A 49 -2.855 -9.692 6.239 1.00 0.00 C ATOM 731 CG ASN A 49 -2.618 -11.120 6.725 1.00 0.00 C ATOM 732 OD1 ASN A 49 -2.272 -11.997 5.933 1.00 0.00 O ATOM 733 ND2 ASN A 49 -2.777 -11.404 7.990 1.00 0.00 N ATOM 0 H ASN A 49 -0.262 -8.229 6.032 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.786 -10.131 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.778 -8.997 7.075 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.864 -9.598 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.614 -12.354 8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.064 -10.676 8.644 1.00 0.00 H new ATOM 740 N LEU A 50 -3.048 -8.166 3.409 1.00 0.00 N ATOM 741 CA LEU A 50 -3.552 -7.014 2.653 1.00 0.00 C ATOM 742 C LEU A 50 -5.070 -7.141 2.580 1.00 0.00 C ATOM 743 O LEU A 50 -5.581 -8.156 2.108 1.00 0.00 O ATOM 744 CB LEU A 50 -2.945 -7.018 1.240 1.00 0.00 C ATOM 745 CG LEU A 50 -3.437 -5.784 0.426 1.00 0.00 C ATOM 746 CD1 LEU A 50 -2.295 -5.212 -0.431 1.00 0.00 C ATOM 747 CD2 LEU A 50 -4.593 -6.178 -0.507 1.00 0.00 C ATOM 0 H LEU A 50 -3.372 -9.067 3.057 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.276 -6.078 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.857 -7.006 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.223 -7.936 0.722 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.777 -5.033 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.658 -4.351 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.474 -4.904 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.943 -5.975 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.923 -5.303 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.254 -6.947 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.423 -6.564 0.085 1.00 0.00 H new ATOM 759 N SER A 51 -5.797 -6.119 3.036 1.00 0.00 N ATOM 760 CA SER A 51 -7.263 -6.149 3.000 1.00 0.00 C ATOM 761 C SER A 51 -7.803 -4.929 2.249 1.00 0.00 C ATOM 762 O SER A 51 -7.428 -3.797 2.554 1.00 0.00 O ATOM 763 CB SER A 51 -7.796 -6.131 4.435 1.00 0.00 C ATOM 764 OG SER A 51 -7.059 -5.186 5.194 1.00 0.00 O ATOM 0 H SER A 51 -5.400 -5.267 3.432 1.00 0.00 H new ATOM 0 HA SER A 51 -7.589 -7.053 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.855 -5.872 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.708 -7.122 4.881 1.00 0.00 H new ATOM 0 HG SER A 51 -7.398 -5.169 6.114 1.00 0.00 H new ATOM 770 N VAL A 52 -8.717 -5.157 1.301 1.00 0.00 N ATOM 771 CA VAL A 52 -9.338 -4.059 0.553 1.00 0.00 C ATOM 772 C VAL A 52 -10.843 -4.107 0.744 1.00 0.00 C ATOM 773 O VAL A 52 -11.477 -5.127 0.470 1.00 0.00 O ATOM 774 CB VAL A 52 -9.020 -4.140 -0.942 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.721 -2.989 -1.670 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.514 -4.019 -1.158 1.00 0.00 C ATOM 0 H VAL A 52 -9.042 -6.086 1.034 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.933 -3.122 0.936 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.368 -5.097 -1.332 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.497 -3.043 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.798 -3.066 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.367 -2.038 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.293 -4.077 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.166 -3.063 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.005 -4.830 -0.637 1.00 0.00 H new ATOM 786 N ILE A 53 -11.423 -2.999 1.205 1.00 0.00 N ATOM 787 CA ILE A 53 -12.865 -2.926 1.418 1.00 0.00 C ATOM 788 C ILE A 53 -13.474 -1.980 0.392 1.00 0.00 C ATOM 789 O ILE A 53 -13.025 -0.844 0.242 1.00 0.00 O ATOM 790 CB ILE A 53 -13.163 -2.392 2.826 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.540 -3.307 3.899 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.676 -2.333 3.035 1.00 0.00 C ATOM 793 CD1 ILE A 53 -11.003 -3.216 3.879 1.00 0.00 C ATOM 0 H ILE A 53 -10.917 -2.144 1.437 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.292 -3.923 1.312 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.731 -1.396 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.912 -3.024 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.849 -4.338 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.891 -1.954 4.034 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.120 -1.670 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.097 -3.333 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.590 -3.871 4.646 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.633 -3.523 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.697 -2.189 4.076 1.00 0.00 H new ATOM 805 N GLY A 54 -14.497 -2.448 -0.316 1.00 0.00 N ATOM 806 CA GLY A 54 -15.152 -1.623 -1.326 1.00 0.00 C ATOM 807 C GLY A 54 -14.426 -1.730 -2.664 1.00 0.00 C ATOM 808 O GLY A 54 -13.765 -0.777 -3.074 1.00 0.00 O ATOM 0 H GLY A 54 -14.888 -3.384 -0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.189 -1.938 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.169 -0.584 -0.998 1.00 0.00 H new ATOM 812 N ALA A 55 -14.543 -2.849 -3.368 1.00 0.00 N ATOM 813 CA ALA A 55 -13.867 -2.943 -4.658 1.00 0.00 C ATOM 814 C ALA A 55 -14.261 -4.201 -5.422 1.00 0.00 C ATOM 815 O ALA A 55 -14.746 -5.182 -4.859 1.00 0.00 O ATOM 816 CB ALA A 55 -12.343 -2.875 -4.482 1.00 0.00 C ATOM 0 H ALA A 55 -15.075 -3.672 -3.085 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.190 -2.087 -5.251 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.861 -2.947 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.073 -1.929 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.012 -3.701 -3.852 1.00 0.00 H new ATOM 822 N THR A 56 -14.013 -4.135 -6.724 1.00 0.00 N ATOM 823 CA THR A 56 -14.268 -5.214 -7.666 1.00 0.00 C ATOM 824 C THR A 56 -13.003 -6.042 -7.858 1.00 0.00 C ATOM 825 O THR A 56 -11.898 -5.593 -7.556 1.00 0.00 O ATOM 826 CB THR A 56 -14.666 -4.597 -9.009 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.596 -3.800 -9.498 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.908 -3.724 -8.817 1.00 0.00 C ATOM 0 H THR A 56 -13.617 -3.305 -7.165 1.00 0.00 H new ATOM 0 HA THR A 56 -15.063 -5.856 -7.286 1.00 0.00 H new ATOM 0 HB THR A 56 -14.885 -5.389 -9.725 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.733 -2.868 -9.228 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.194 -3.283 -9.772 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.728 -4.335 -8.440 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.688 -2.931 -8.102 1.00 0.00 H new ATOM 836 N LYS A 57 -13.188 -7.278 -8.323 1.00 0.00 N ATOM 837 CA LYS A 57 -12.068 -8.211 -8.509 1.00 0.00 C ATOM 838 C LYS A 57 -10.994 -7.642 -9.436 1.00 0.00 C ATOM 839 O LYS A 57 -9.805 -7.815 -9.169 1.00 0.00 O ATOM 840 CB LYS A 57 -12.579 -9.557 -9.077 1.00 0.00 C ATOM 841 CG LYS A 57 -11.431 -10.577 -9.237 1.00 0.00 C ATOM 842 CD LYS A 57 -11.949 -11.802 -9.995 1.00 0.00 C ATOM 843 CE LYS A 57 -13.106 -12.449 -9.222 1.00 0.00 C ATOM 844 NZ LYS A 57 -13.222 -13.880 -9.615 1.00 0.00 N ATOM 0 H LYS A 57 -14.099 -7.659 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.617 -8.370 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.341 -9.967 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.054 -9.388 -10.043 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.599 -10.125 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.052 -10.873 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.285 -11.509 -10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.143 -12.523 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.932 -12.368 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.038 -11.925 -9.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.006 -14.321 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.407 -13.946 -10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.335 -14.375 -9.391 1.00 0.00 H new ATOM 858 N GLU A 58 -11.381 -6.962 -10.507 1.00 0.00 N ATOM 859 CA GLU A 58 -10.386 -6.388 -11.415 1.00 0.00 C ATOM 860 C GLU A 58 -9.615 -5.265 -10.733 1.00 0.00 C ATOM 861 O GLU A 58 -8.413 -5.107 -10.946 1.00 0.00 O ATOM 862 CB GLU A 58 -11.055 -5.871 -12.698 1.00 0.00 C ATOM 863 CG GLU A 58 -11.457 -7.054 -13.595 1.00 0.00 C ATOM 864 CD GLU A 58 -12.120 -6.540 -14.868 1.00 0.00 C ATOM 865 OE1 GLU A 58 -12.428 -5.361 -14.918 1.00 0.00 O ATOM 866 OE2 GLU A 58 -12.310 -7.335 -15.775 1.00 0.00 O ATOM 0 H GLU A 58 -12.353 -6.794 -10.768 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.682 -7.176 -11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.935 -5.279 -12.446 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.372 -5.213 -13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.577 -7.646 -13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.141 -7.712 -13.059 1.00 0.00 H new ATOM 873 N ASP A 59 -10.311 -4.495 -9.887 1.00 0.00 N ATOM 874 CA ASP A 59 -9.674 -3.406 -9.156 1.00 0.00 C ATOM 875 C ASP A 59 -8.648 -3.984 -8.187 1.00 0.00 C ATOM 876 O ASP A 59 -7.522 -3.499 -8.083 1.00 0.00 O ATOM 877 CB ASP A 59 -10.726 -2.612 -8.377 1.00 0.00 C ATOM 878 CG ASP A 59 -11.608 -1.826 -9.341 1.00 0.00 C ATOM 879 OD1 ASP A 59 -11.128 -1.481 -10.407 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.755 -1.583 -8.999 1.00 0.00 O ATOM 0 H ASP A 59 -11.307 -4.609 -9.697 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.179 -2.739 -9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.338 -3.290 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.237 -1.930 -7.681 1.00 0.00 H new ATOM 885 N LYS A 60 -9.063 -5.035 -7.482 1.00 0.00 N ATOM 886 CA LYS A 60 -8.182 -5.687 -6.519 1.00 0.00 C ATOM 887 C LYS A 60 -6.942 -6.254 -7.203 1.00 0.00 C ATOM 888 O LYS A 60 -5.842 -6.135 -6.665 1.00 0.00 O ATOM 889 CB LYS A 60 -8.899 -6.788 -5.739 1.00 0.00 C ATOM 890 CG LYS A 60 -9.914 -6.166 -4.786 1.00 0.00 C ATOM 891 CD LYS A 60 -10.623 -7.280 -4.014 1.00 0.00 C ATOM 892 CE LYS A 60 -11.691 -6.673 -3.106 1.00 0.00 C ATOM 893 NZ LYS A 60 -12.864 -6.284 -3.932 1.00 0.00 N ATOM 0 H LYS A 60 -9.992 -5.448 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.873 -4.920 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.401 -7.467 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.175 -7.380 -5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.414 -5.488 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.640 -5.574 -5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.080 -7.985 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.902 -7.841 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.990 -7.392 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.292 -5.803 -2.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.369 -5.501 -3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.541 -5.981 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.504 -7.098 -4.032 1.00 0.00 H new ATOM 907 N GLN A 61 -7.082 -6.840 -8.388 1.00 0.00 N ATOM 908 CA GLN A 61 -5.905 -7.356 -9.076 1.00 0.00 C ATOM 909 C GLN A 61 -4.987 -6.189 -9.411 1.00 0.00 C ATOM 910 O GLN A 61 -3.771 -6.285 -9.244 1.00 0.00 O ATOM 911 CB GLN A 61 -6.308 -8.090 -10.355 1.00 0.00 C ATOM 912 CG GLN A 61 -5.057 -8.627 -11.049 1.00 0.00 C ATOM 913 CD GLN A 61 -5.452 -9.510 -12.225 1.00 0.00 C ATOM 914 OE1 GLN A 61 -6.624 -9.859 -12.373 1.00 0.00 O ATOM 915 NE2 GLN A 61 -4.541 -9.887 -13.079 1.00 0.00 N ATOM 0 H GLN A 61 -7.967 -6.967 -8.878 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.387 -8.064 -8.429 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.986 -8.910 -10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.845 -7.415 -11.021 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.440 -7.798 -11.397 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.455 -9.197 -10.341 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.572 -9.596 -12.953 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.798 -10.473 -13.873 1.00 0.00 H new ATOM 924 N ARG A 62 -5.564 -5.078 -9.897 1.00 0.00 N ATOM 925 CA ARG A 62 -4.753 -3.922 -10.255 1.00 0.00 C ATOM 926 C ARG A 62 -3.997 -3.425 -9.025 1.00 0.00 C ATOM 927 O ARG A 62 -2.802 -3.139 -9.098 1.00 0.00 O ATOM 928 CB ARG A 62 -5.619 -2.806 -10.852 1.00 0.00 C ATOM 929 CG ARG A 62 -4.743 -1.601 -11.220 1.00 0.00 C ATOM 930 CD ARG A 62 -5.616 -0.509 -11.835 1.00 0.00 C ATOM 931 NE ARG A 62 -4.797 0.640 -12.200 1.00 0.00 N ATOM 932 CZ ARG A 62 -5.334 1.712 -12.771 1.00 0.00 C ATOM 933 NH1 ARG A 62 -6.627 1.888 -12.740 1.00 0.00 N ATOM 934 NH2 ARG A 62 -4.569 2.585 -13.364 1.00 0.00 N ATOM 0 H ARG A 62 -6.567 -4.964 -10.046 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.033 -4.221 -11.017 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.139 -3.172 -11.737 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.383 -2.505 -10.136 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.237 -1.221 -10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.968 -1.902 -11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.128 -0.895 -12.716 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.386 -0.206 -11.126 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.794 0.620 -12.014 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.224 1.202 -12.277 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.040 2.711 -13.178 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.559 2.444 -13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.980 3.409 -13.803 1.00 0.00 H new ATOM 948 N ILE A 63 -4.693 -3.330 -7.897 1.00 0.00 N ATOM 949 CA ILE A 63 -4.046 -2.872 -6.674 1.00 0.00 C ATOM 950 C ILE A 63 -2.896 -3.806 -6.303 1.00 0.00 C ATOM 951 O ILE A 63 -1.814 -3.344 -5.943 1.00 0.00 O ATOM 952 CB ILE A 63 -5.055 -2.735 -5.530 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.945 -1.512 -5.775 1.00 0.00 C ATOM 954 CG2 ILE A 63 -4.333 -2.576 -4.188 1.00 0.00 C ATOM 955 CD1 ILE A 63 -7.162 -1.570 -4.849 1.00 0.00 C ATOM 0 H ILE A 63 -5.683 -3.558 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.631 -1.880 -6.853 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.665 -3.638 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.381 -0.597 -5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -6.268 -1.487 -6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.068 -2.480 -3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.709 -3.451 -4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.708 -1.684 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.794 -0.700 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.730 -2.478 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.830 -1.574 -3.811 1.00 0.00 H new ATOM 967 N SER A 64 -3.103 -5.107 -6.435 1.00 0.00 N ATOM 968 CA SER A 64 -2.024 -6.042 -6.147 1.00 0.00 C ATOM 969 C SER A 64 -0.869 -5.722 -7.092 1.00 0.00 C ATOM 970 O SER A 64 0.282 -5.683 -6.658 1.00 0.00 O ATOM 971 CB SER A 64 -2.496 -7.478 -6.374 1.00 0.00 C ATOM 972 OG SER A 64 -1.503 -8.381 -5.906 1.00 0.00 O ATOM 0 H SER A 64 -3.982 -5.532 -6.731 1.00 0.00 H new ATOM 0 HA SER A 64 -1.709 -5.947 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.436 -7.651 -5.850 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.686 -7.647 -7.434 1.00 0.00 H new ATOM 0 HG SER A 64 -1.805 -9.302 -6.049 1.00 0.00 H new ATOM 978 N GLU A 65 -1.150 -5.489 -8.388 1.00 0.00 N ATOM 979 CA GLU A 65 -0.080 -5.178 -9.333 1.00 0.00 C ATOM 980 C GLU A 65 0.650 -3.905 -8.892 1.00 0.00 C ATOM 981 O GLU A 65 1.878 -3.843 -8.931 1.00 0.00 O ATOM 982 CB GLU A 65 -0.623 -5.025 -10.755 1.00 0.00 C ATOM 983 CG GLU A 65 -1.096 -6.388 -11.267 1.00 0.00 C ATOM 984 CD GLU A 65 -1.598 -6.262 -12.702 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.709 -5.142 -13.175 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.864 -7.288 -13.307 1.00 0.00 O ATOM 0 H GLU A 65 -2.087 -5.511 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 65 0.626 -6.008 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.448 -4.313 -10.766 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.151 -4.626 -11.411 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.278 -7.107 -11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.892 -6.770 -10.627 1.00 0.00 H new ATOM 993 N ILE A 66 -0.107 -2.898 -8.467 1.00 0.00 N ATOM 994 CA ILE A 66 0.487 -1.638 -8.011 1.00 0.00 C ATOM 995 C ILE A 66 1.418 -1.863 -6.822 1.00 0.00 C ATOM 996 O ILE A 66 2.539 -1.355 -6.793 1.00 0.00 O ATOM 997 CB ILE A 66 -0.628 -0.654 -7.626 1.00 0.00 C ATOM 998 CG1 ILE A 66 -1.346 -0.187 -8.902 1.00 0.00 C ATOM 999 CG2 ILE A 66 -0.025 0.549 -6.894 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.549 0.690 -8.542 1.00 0.00 C ATOM 0 H ILE A 66 -1.126 -2.925 -8.427 1.00 0.00 H new ATOM 0 HA ILE A 66 1.079 -1.222 -8.826 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.342 -1.145 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.655 0.372 -9.533 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.676 -1.051 -9.479 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.819 1.245 -6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.483 0.209 -5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.690 1.051 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.049 1.014 -9.455 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.246 0.118 -7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.209 1.563 -7.985 1.00 0.00 H new ATOM 1012 N LEU A 67 0.943 -2.614 -5.844 1.00 0.00 N ATOM 1013 CA LEU A 67 1.747 -2.874 -4.671 1.00 0.00 C ATOM 1014 C LEU A 67 3.032 -3.556 -5.099 1.00 0.00 C ATOM 1015 O LEU A 67 4.115 -3.216 -4.623 1.00 0.00 O ATOM 1016 CB LEU A 67 0.977 -3.763 -3.672 1.00 0.00 C ATOM 1017 CG LEU A 67 1.922 -4.404 -2.625 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.567 -3.324 -1.740 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.106 -5.360 -1.747 1.00 0.00 C ATOM 0 H LEU A 67 0.019 -3.047 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 67 1.978 -1.932 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.221 -3.166 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.450 -4.548 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 67 2.715 -4.944 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.227 -3.796 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.144 -2.640 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.788 -2.769 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.759 -5.819 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.316 -4.805 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.662 -6.137 -2.370 1.00 0.00 H new ATOM 1031 N GLN A 68 2.915 -4.489 -6.022 1.00 0.00 N ATOM 1032 CA GLN A 68 4.091 -5.167 -6.524 1.00 0.00 C ATOM 1033 C GLN A 68 5.053 -4.164 -7.165 1.00 0.00 C ATOM 1034 O GLN A 68 6.239 -4.149 -6.837 1.00 0.00 O ATOM 1035 CB GLN A 68 3.692 -6.231 -7.545 1.00 0.00 C ATOM 1036 CG GLN A 68 4.946 -6.928 -8.074 1.00 0.00 C ATOM 1037 CD GLN A 68 4.552 -8.144 -8.905 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.389 -8.547 -8.903 1.00 0.00 O ATOM 1039 NE2 GLN A 68 5.454 -8.747 -9.629 1.00 0.00 N ATOM 0 H GLN A 68 2.032 -4.791 -6.434 1.00 0.00 H new ATOM 0 HA GLN A 68 4.594 -5.650 -5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.025 -6.960 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.144 -5.773 -8.368 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.529 -6.235 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.580 -7.235 -7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.417 -8.410 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.196 -9.555 -10.196 1.00 0.00 H new ATOM 1048 N GLU A 69 4.561 -3.342 -8.099 1.00 0.00 N ATOM 1049 CA GLU A 69 5.428 -2.378 -8.779 1.00 0.00 C ATOM 1050 C GLU A 69 6.079 -1.371 -7.825 1.00 0.00 C ATOM 1051 O GLU A 69 7.278 -1.117 -7.928 1.00 0.00 O ATOM 1052 CB GLU A 69 4.643 -1.627 -9.858 1.00 0.00 C ATOM 1053 CG GLU A 69 4.318 -2.573 -11.017 1.00 0.00 C ATOM 1054 CD GLU A 69 5.593 -2.919 -11.782 1.00 0.00 C ATOM 1055 OE1 GLU A 69 6.554 -2.177 -11.657 1.00 0.00 O ATOM 1056 OE2 GLU A 69 5.592 -3.921 -12.477 1.00 0.00 O ATOM 0 H GLU A 69 3.585 -3.325 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 69 6.233 -2.957 -9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.722 -1.224 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.225 -0.780 -10.221 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.855 -3.483 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.597 -2.105 -11.688 1.00 0.00 H new ATOM 1063 N THR A 70 5.308 -0.792 -6.906 1.00 0.00 N ATOM 1064 CA THR A 70 5.870 0.184 -5.971 1.00 0.00 C ATOM 1065 C THR A 70 6.968 -0.463 -5.154 1.00 0.00 C ATOM 1066 O THR A 70 8.053 0.089 -4.969 1.00 0.00 O ATOM 1067 CB THR A 70 4.781 0.703 -5.043 1.00 0.00 C ATOM 1068 OG1 THR A 70 3.740 1.290 -5.810 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.369 1.752 -4.096 1.00 0.00 C ATOM 0 H THR A 70 4.312 -0.976 -6.788 1.00 0.00 H new ATOM 0 HA THR A 70 6.284 1.018 -6.537 1.00 0.00 H new ATOM 0 HB THR A 70 4.380 -0.127 -4.461 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.198 0.584 -6.221 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.587 2.122 -3.433 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.165 1.301 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.774 2.580 -4.677 1.00 0.00 H new ATOM 1077 N TRP A 71 6.643 -1.644 -4.659 1.00 0.00 N ATOM 1078 CA TRP A 71 7.553 -2.413 -3.839 1.00 0.00 C ATOM 1079 C TRP A 71 8.828 -2.702 -4.620 1.00 0.00 C ATOM 1080 O TRP A 71 9.921 -2.647 -4.057 1.00 0.00 O ATOM 1081 CB TRP A 71 6.803 -3.670 -3.380 1.00 0.00 C ATOM 1082 CG TRP A 71 7.688 -4.618 -2.625 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.836 -5.927 -2.929 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.510 -4.380 -1.435 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.718 -6.500 -2.033 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.161 -5.591 -1.095 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.769 -3.247 -0.630 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 10.029 -5.679 -0.005 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.640 -3.336 0.468 1.00 0.00 C ATOM 1090 CH2 TRP A 71 10.270 -4.548 0.778 1.00 0.00 C ATOM 0 H TRP A 71 5.741 -2.094 -4.816 1.00 0.00 H new ATOM 0 HA TRP A 71 7.873 -1.869 -2.950 1.00 0.00 H new ATOM 0 HB2 TRP A 71 5.964 -3.379 -2.748 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.386 -4.179 -4.249 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.344 -6.442 -3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 71 9.007 -7.478 -2.062 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.293 -2.305 -0.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.511 -6.616 0.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.825 -2.464 1.078 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.941 -4.608 1.622 1.00 0.00 H new ATOM 1101 N GLU A 72 8.708 -3.011 -5.904 1.00 0.00 N ATOM 1102 CA GLU A 72 9.877 -3.308 -6.736 1.00 0.00 C ATOM 1103 C GLU A 72 10.667 -2.048 -7.102 1.00 0.00 C ATOM 1104 O GLU A 72 11.816 -2.161 -7.531 1.00 0.00 O ATOM 1105 CB GLU A 72 9.460 -4.061 -8.001 1.00 0.00 C ATOM 1106 CG GLU A 72 9.027 -5.482 -7.628 1.00 0.00 C ATOM 1107 CD GLU A 72 8.606 -6.248 -8.876 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.400 -5.612 -9.896 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.502 -7.461 -8.795 1.00 0.00 O ATOM 0 H GLU A 72 7.816 -3.064 -6.396 1.00 0.00 H new ATOM 0 HA GLU A 72 10.537 -3.942 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.642 -3.538 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.290 -4.095 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.847 -6.002 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.200 -5.444 -6.919 1.00 0.00 H new ATOM 1116 N SER A 73 10.079 -0.846 -6.961 1.00 0.00 N ATOM 1117 CA SER A 73 10.801 0.389 -7.323 1.00 0.00 C ATOM 1118 C SER A 73 11.226 1.151 -6.076 1.00 0.00 C ATOM 1119 O SER A 73 11.396 2.370 -6.105 1.00 0.00 O ATOM 1120 CB SER A 73 9.917 1.280 -8.194 1.00 0.00 C ATOM 1121 OG SER A 73 8.854 1.800 -7.406 1.00 0.00 O ATOM 0 H SER A 73 9.132 -0.703 -6.609 1.00 0.00 H new ATOM 0 HA SER A 73 11.694 0.109 -7.883 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.505 2.095 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.518 0.708 -9.032 1.00 0.00 H new ATOM 0 HG SER A 73 8.682 1.199 -6.651 1.00 0.00 H new ATOM 1127 N ALA A 74 11.330 0.431 -4.971 1.00 0.00 N ATOM 1128 CA ALA A 74 11.656 1.014 -3.678 1.00 0.00 C ATOM 1129 C ALA A 74 12.925 1.871 -3.637 1.00 0.00 C ATOM 1130 O ALA A 74 12.962 2.891 -2.960 1.00 0.00 O ATOM 1131 CB ALA A 74 11.815 -0.124 -2.669 1.00 0.00 C ATOM 0 H ALA A 74 11.190 -0.579 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 74 10.835 1.692 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.060 0.289 -1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.883 -0.685 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.616 -0.789 -2.993 1.00 0.00 H new ATOM 1137 N ASP A 75 13.960 1.456 -4.351 1.00 0.00 N ATOM 1138 CA ASP A 75 15.225 2.199 -4.356 1.00 0.00 C ATOM 1139 C ASP A 75 15.079 3.615 -4.929 1.00 0.00 C ATOM 1140 O ASP A 75 15.911 4.480 -4.655 1.00 0.00 O ATOM 1141 CB ASP A 75 16.268 1.433 -5.172 1.00 0.00 C ATOM 1142 CG ASP A 75 17.642 2.069 -4.997 1.00 0.00 C ATOM 1143 OD1 ASP A 75 17.822 2.784 -4.025 1.00 0.00 O ATOM 1144 OD2 ASP A 75 18.492 1.835 -5.839 1.00 0.00 O ATOM 0 H ASP A 75 13.957 0.617 -4.932 1.00 0.00 H new ATOM 0 HA ASP A 75 15.542 2.296 -3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.298 0.391 -4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.990 1.435 -6.226 1.00 0.00 H new ATOM 1149 N ASP A 76 14.052 3.849 -5.737 1.00 0.00 N ATOM 1150 CA ASP A 76 13.851 5.167 -6.354 1.00 0.00 C ATOM 1151 C ASP A 76 12.984 6.101 -5.497 1.00 0.00 C ATOM 1152 O ASP A 76 13.320 7.275 -5.340 1.00 0.00 O ATOM 1153 CB ASP A 76 13.204 4.990 -7.729 1.00 0.00 C ATOM 1154 CG ASP A 76 13.086 6.337 -8.434 1.00 0.00 C ATOM 1155 OD1 ASP A 76 14.103 6.837 -8.886 1.00 0.00 O ATOM 1156 OD2 ASP A 76 11.981 6.847 -8.514 1.00 0.00 O ATOM 0 H ASP A 76 13.347 3.154 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 76 14.832 5.634 -6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.800 4.306 -8.334 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.217 4.541 -7.619 1.00 0.00 H new ATOM 1161 N TRP A 77 11.863 5.614 -4.980 1.00 0.00 N ATOM 1162 CA TRP A 77 10.971 6.478 -4.190 1.00 0.00 C ATOM 1163 C TRP A 77 11.284 6.483 -2.689 1.00 0.00 C ATOM 1164 O TRP A 77 10.906 7.422 -1.995 1.00 0.00 O ATOM 1165 CB TRP A 77 9.503 6.086 -4.408 1.00 0.00 C ATOM 1166 CG TRP A 77 9.164 4.836 -3.640 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.087 3.582 -4.167 1.00 0.00 C ATOM 1168 CD2 TRP A 77 8.855 4.692 -2.207 1.00 0.00 C ATOM 1169 NE1 TRP A 77 8.738 2.698 -3.168 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.592 3.324 -1.950 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.773 5.593 -1.107 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.265 2.867 -0.678 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.445 5.122 0.165 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.192 3.770 0.378 1.00 0.00 C ATOM 0 H TRP A 77 11.548 4.650 -5.085 1.00 0.00 H new ATOM 0 HA TRP A 77 11.147 7.491 -4.552 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.853 6.901 -4.090 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.318 5.927 -5.470 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.270 3.323 -5.199 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.604 1.697 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.965 6.645 -1.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.069 1.818 -0.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.387 5.814 0.993 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.938 3.420 1.368 1.00 0.00 H new ATOM 1185 N PHE A 78 11.992 5.474 -2.180 1.00 0.00 N ATOM 1186 CA PHE A 78 12.314 5.460 -0.744 1.00 0.00 C ATOM 1187 C PHE A 78 13.610 6.202 -0.461 1.00 0.00 C ATOM 1188 O PHE A 78 14.648 5.924 -1.062 1.00 0.00 O ATOM 1189 CB PHE A 78 12.428 4.024 -0.210 1.00 0.00 C ATOM 1190 CG PHE A 78 12.888 4.053 1.243 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.107 4.697 2.216 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.106 3.450 1.618 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.536 4.736 3.548 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.526 3.491 2.952 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.744 4.133 3.916 1.00 0.00 C ATOM 0 H PHE A 78 12.345 4.680 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 78 11.495 5.966 -0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.465 3.519 -0.287 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.135 3.456 -0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.174 5.163 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 78 14.715 2.956 0.875 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.933 5.233 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.457 3.025 3.238 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.072 4.164 4.945 1.00 0.00 H new ATOM 1205 N VAL A 79 13.536 7.153 0.467 1.00 0.00 N ATOM 1206 CA VAL A 79 14.686 7.962 0.863 1.00 0.00 C ATOM 1207 C VAL A 79 14.925 7.764 2.361 1.00 0.00 C ATOM 1208 O VAL A 79 13.960 7.687 3.123 1.00 0.00 O ATOM 1209 CB VAL A 79 14.386 9.446 0.557 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.689 10.200 0.263 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.453 9.540 -0.663 1.00 0.00 C ATOM 0 H VAL A 79 12.677 7.385 0.966 1.00 0.00 H new ATOM 0 HA VAL A 79 15.577 7.662 0.312 1.00 0.00 H new ATOM 0 HB VAL A 79 13.904 9.896 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.464 11.245 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.347 10.141 1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.183 9.751 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.241 10.587 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 79 13.936 9.082 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.520 9.018 -0.449 1.00 0.00 H new ATOM 1221 N SER A 80 16.183 7.680 2.800 1.00 0.00 N ATOM 1222 CA SER A 80 16.477 7.492 4.230 1.00 0.00 C ATOM 1223 C SER A 80 17.396 8.600 4.733 1.00 0.00 C ATOM 1224 O SER A 80 18.329 9.011 4.042 1.00 0.00 O ATOM 1225 CB SER A 80 17.155 6.131 4.457 1.00 0.00 C ATOM 1226 OG SER A 80 16.458 5.133 3.723 1.00 0.00 O ATOM 0 H SER A 80 17.006 7.738 2.200 1.00 0.00 H new ATOM 0 HA SER A 80 15.537 7.526 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.197 6.173 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.156 5.884 5.519 1.00 0.00 H new ATOM 0 HG SER A 80 15.511 5.143 3.975 1.00 0.00 H new ATOM 1232 N GLU A 81 17.120 9.080 5.942 1.00 0.00 N ATOM 1233 CA GLU A 81 17.922 10.144 6.537 1.00 0.00 C ATOM 1234 C GLU A 81 19.411 9.872 6.333 1.00 0.00 C ATOM 1235 O GLU A 81 20.015 10.570 5.535 1.00 0.00 O ATOM 1236 CB GLU A 81 17.616 10.252 8.034 1.00 0.00 C ATOM 1237 CG GLU A 81 18.273 11.510 8.610 1.00 0.00 C ATOM 1238 CD GLU A 81 17.570 12.755 8.079 1.00 0.00 C ATOM 1239 OE1 GLU A 81 16.442 12.630 7.634 1.00 0.00 O ATOM 1240 OE2 GLU A 81 18.171 13.815 8.129 1.00 0.00 O ATOM 1241 OXT GLU A 81 19.922 8.971 6.977 1.00 0.00 O ATOM 0 H GLU A 81 16.351 8.751 6.526 1.00 0.00 H new ATOM 0 HA GLU A 81 17.669 11.084 6.047 1.00 0.00 H new ATOM 0 HB2 GLU A 81 16.538 10.289 8.192 1.00 0.00 H new ATOM 0 HB3 GLU A 81 17.984 9.368 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.223 11.490 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.329 11.535 8.340 1.00 0.00 H new TER 1248 GLU A 81