USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 698 hydrogens (24 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 68 SER OG : rot -73:sc= 0.78! USER MOD Set 1.2: A 71 SER OG : rot 58:sc= 1.34 USER MOD Set 1.3: A 87 LYS NZ :NH3+ -154:sc= 0.649 (180deg=0) USER MOD Single : A 1 MET CE :methyl -153:sc= -0.386 (180deg=-1.8!) USER MOD Single : A 1 MET N :NH3+ -111:sc= -0.552! (180deg=-2.06!) USER MOD Single : A 2 GLN : amide:sc= -11.9! C(o=-12!,f=-8.9!) USER MOD Single : A 3 HIS : no HD1:sc= -0.479 K(o=-0.48,f=-3.6) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.9! C(o=-4.9!,f=-4!) USER MOD Single : A 33 ASN : amide:sc= -0.446 X(o=-0.45,f=-0.29) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= 0.0874 (180deg=-0.127) USER MOD Single : A 62 SER OG : rot 180:sc= -0.182 USER MOD Single : A 65 HIS : no HE2:sc= -0.0321 X(o=-0.032,f=-0.49) USER MOD Single : A 80 THR OG1 : rot 29:sc= 0.949 USER MOD Single : A 81 THR OG1 : rot -65:sc= -8.29! USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.659 -3.624 -6.480 1.00 0.00 N ATOM 2 CA MET A 1 13.858 -3.660 -5.228 1.00 0.00 C ATOM 3 C MET A 1 12.489 -4.271 -5.525 1.00 0.00 C ATOM 4 O MET A 1 12.291 -4.922 -6.532 1.00 0.00 O ATOM 5 CB MET A 1 13.673 -2.236 -4.689 1.00 0.00 C ATOM 6 CG MET A 1 13.244 -1.300 -5.825 1.00 0.00 C ATOM 7 SD MET A 1 14.644 -0.995 -6.932 1.00 0.00 S ATOM 8 CE MET A 1 15.687 -0.113 -5.744 1.00 0.00 C ATOM 0 H1 MET A 1 15.444 -4.302 -6.409 1.00 0.00 H new ATOM 0 H2 MET A 1 14.054 -3.878 -7.287 1.00 0.00 H new ATOM 0 H3 MET A 1 15.040 -2.667 -6.621 1.00 0.00 H new ATOM 0 HA MET A 1 14.378 -4.262 -4.482 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.922 -2.231 -3.899 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.604 -1.882 -4.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.419 -1.744 -6.382 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.881 -0.358 -5.414 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.351 0.567 -6.277 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.058 0.456 -5.060 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.281 -0.831 -5.178 1.00 0.00 H new ATOM 20 N GLN A 2 11.543 -4.059 -4.658 1.00 0.00 N ATOM 21 CA GLN A 2 10.180 -4.616 -4.884 1.00 0.00 C ATOM 22 C GLN A 2 9.394 -3.676 -5.794 1.00 0.00 C ATOM 23 O GLN A 2 8.181 -3.676 -5.796 1.00 0.00 O ATOM 24 CB GLN A 2 9.446 -4.747 -3.547 1.00 0.00 C ATOM 25 CG GLN A 2 10.178 -5.743 -2.650 1.00 0.00 C ATOM 26 CD GLN A 2 9.455 -5.844 -1.305 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.014 -4.851 -0.764 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.309 -7.012 -0.742 1.00 0.00 N ATOM 0 H GLN A 2 11.654 -3.522 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 2 10.266 -5.598 -5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.389 -3.775 -3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.422 -5.080 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.216 -6.721 -3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.209 -5.423 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.679 -7.847 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.824 -7.090 0.152 1.00 0.00 H new ATOM 37 N HIS A 3 10.077 -2.859 -6.550 1.00 0.00 N ATOM 38 CA HIS A 3 9.364 -1.903 -7.443 1.00 0.00 C ATOM 39 C HIS A 3 8.511 -0.981 -6.574 1.00 0.00 C ATOM 40 O HIS A 3 7.367 -0.703 -6.874 1.00 0.00 O ATOM 41 CB HIS A 3 8.469 -2.664 -8.426 1.00 0.00 C ATOM 42 CG HIS A 3 9.253 -3.778 -9.062 1.00 0.00 C ATOM 43 ND1 HIS A 3 9.271 -5.063 -8.536 1.00 0.00 N ATOM 44 CD2 HIS A 3 10.050 -3.820 -10.179 1.00 0.00 C ATOM 45 CE1 HIS A 3 10.055 -5.816 -9.331 1.00 0.00 C ATOM 46 NE2 HIS A 3 10.552 -5.105 -10.345 1.00 0.00 N ATOM 0 H HIS A 3 11.095 -2.813 -6.587 1.00 0.00 H new ATOM 0 HA HIS A 3 10.086 -1.321 -8.016 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.601 -3.068 -7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.094 -1.986 -9.192 1.00 0.00 H new ATOM 0 HD2 HIS A 3 10.255 -2.982 -10.829 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.256 -6.864 -9.168 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.170 -5.435 -11.086 1.00 0.00 H new ATOM 55 N ALA A 4 9.063 -0.515 -5.486 1.00 0.00 N ATOM 56 CA ALA A 4 8.295 0.379 -4.580 1.00 0.00 C ATOM 57 C ALA A 4 7.778 1.584 -5.364 1.00 0.00 C ATOM 58 O ALA A 4 6.701 2.083 -5.109 1.00 0.00 O ATOM 59 CB ALA A 4 9.207 0.856 -3.448 1.00 0.00 C ATOM 0 H ALA A 4 10.017 -0.717 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 4 7.449 -0.166 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.647 1.512 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.572 -0.005 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.053 1.401 -3.867 1.00 0.00 H new ATOM 65 N SER A 5 8.532 2.054 -6.319 1.00 0.00 N ATOM 66 CA SER A 5 8.064 3.222 -7.112 1.00 0.00 C ATOM 67 C SER A 5 6.736 2.870 -7.780 1.00 0.00 C ATOM 68 O SER A 5 5.831 3.679 -7.851 1.00 0.00 O ATOM 69 CB SER A 5 9.102 3.567 -8.180 1.00 0.00 C ATOM 70 OG SER A 5 10.365 3.768 -7.561 1.00 0.00 O ATOM 0 H SER A 5 9.445 1.682 -6.582 1.00 0.00 H new ATOM 0 HA SER A 5 7.929 4.082 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.167 2.763 -8.913 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.801 4.466 -8.719 1.00 0.00 H new ATOM 0 HG SER A 5 11.033 3.988 -8.244 1.00 0.00 H new ATOM 76 N VAL A 6 6.608 1.664 -8.258 1.00 0.00 N ATOM 77 CA VAL A 6 5.332 1.255 -8.906 1.00 0.00 C ATOM 78 C VAL A 6 4.234 1.196 -7.848 1.00 0.00 C ATOM 79 O VAL A 6 3.107 1.578 -8.083 1.00 0.00 O ATOM 80 CB VAL A 6 5.493 -0.122 -9.547 1.00 0.00 C ATOM 81 CG1 VAL A 6 4.129 -0.628 -10.023 1.00 0.00 C ATOM 82 CG2 VAL A 6 6.443 -0.019 -10.742 1.00 0.00 C ATOM 0 H VAL A 6 7.331 0.945 -8.228 1.00 0.00 H new ATOM 0 HA VAL A 6 5.068 1.979 -9.677 1.00 0.00 H new ATOM 0 HB VAL A 6 5.902 -0.818 -8.814 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.245 -1.611 -10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.451 -0.701 -9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.719 0.067 -10.756 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.559 -1.001 -11.200 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.033 0.677 -11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.415 0.341 -10.404 1.00 0.00 H new ATOM 92 N ILE A 7 4.561 0.717 -6.680 1.00 0.00 N ATOM 93 CA ILE A 7 3.543 0.625 -5.599 1.00 0.00 C ATOM 94 C ILE A 7 2.983 2.016 -5.301 1.00 0.00 C ATOM 95 O ILE A 7 1.786 2.218 -5.252 1.00 0.00 O ATOM 96 CB ILE A 7 4.196 0.070 -4.335 1.00 0.00 C ATOM 97 CG1 ILE A 7 4.715 -1.344 -4.606 1.00 0.00 C ATOM 98 CG2 ILE A 7 3.167 0.031 -3.205 1.00 0.00 C ATOM 99 CD1 ILE A 7 5.491 -1.843 -3.387 1.00 0.00 C ATOM 0 H ILE A 7 5.492 0.385 -6.428 1.00 0.00 H new ATOM 0 HA ILE A 7 2.736 -0.034 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 7 5.029 0.711 -4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.882 -2.014 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.359 -1.345 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.633 -0.365 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.800 1.039 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.333 -0.609 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.861 -2.850 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.333 -1.178 -3.194 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.833 -1.858 -2.518 1.00 0.00 H new ATOM 111 N ALA A 8 3.842 2.976 -5.098 1.00 0.00 N ATOM 112 CA ALA A 8 3.362 4.354 -4.799 1.00 0.00 C ATOM 113 C ALA A 8 2.586 4.899 -5.996 1.00 0.00 C ATOM 114 O ALA A 8 1.520 5.462 -5.852 1.00 0.00 O ATOM 115 CB ALA A 8 4.561 5.260 -4.514 1.00 0.00 C ATOM 0 H ALA A 8 4.856 2.866 -5.126 1.00 0.00 H new ATOM 0 HA ALA A 8 2.709 4.328 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.211 6.269 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.113 4.874 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.214 5.284 -5.386 1.00 0.00 H new ATOM 121 N GLN A 9 3.112 4.735 -7.176 1.00 0.00 N ATOM 122 CA GLN A 9 2.403 5.244 -8.382 1.00 0.00 C ATOM 123 C GLN A 9 1.138 4.420 -8.622 1.00 0.00 C ATOM 124 O GLN A 9 0.137 4.926 -9.088 1.00 0.00 O ATOM 125 CB GLN A 9 3.347 5.186 -9.596 1.00 0.00 C ATOM 126 CG GLN A 9 3.055 3.957 -10.461 1.00 0.00 C ATOM 127 CD GLN A 9 1.800 4.198 -11.305 1.00 0.00 C ATOM 128 OE1 GLN A 9 1.658 5.236 -11.920 1.00 0.00 O ATOM 129 NE2 GLN A 9 0.879 3.276 -11.360 1.00 0.00 N ATOM 0 H GLN A 9 4.002 4.271 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 9 2.107 6.282 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.233 6.091 -10.193 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.382 5.157 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.905 3.748 -11.110 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.915 3.081 -9.828 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.998 2.405 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.039 3.426 -11.919 1.00 0.00 H new ATOM 138 N PHE A 10 1.171 3.154 -8.313 1.00 0.00 N ATOM 139 CA PHE A 10 -0.031 2.306 -8.531 1.00 0.00 C ATOM 140 C PHE A 10 -1.167 2.778 -7.621 1.00 0.00 C ATOM 141 O PHE A 10 -2.271 3.020 -8.064 1.00 0.00 O ATOM 142 CB PHE A 10 0.317 0.852 -8.204 1.00 0.00 C ATOM 143 CG PHE A 10 -0.842 -0.041 -8.566 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.804 -0.362 -7.602 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.951 -0.551 -9.863 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.877 -1.195 -7.937 1.00 0.00 C ATOM 147 CE2 PHE A 10 -2.024 -1.384 -10.199 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.987 -1.705 -9.236 1.00 0.00 C ATOM 0 H PHE A 10 1.978 2.671 -7.919 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.350 2.384 -9.570 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.208 0.549 -8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.548 0.753 -7.143 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.718 0.033 -6.600 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.207 -0.302 -10.606 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.620 -1.444 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.109 -1.779 -11.201 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.816 -2.347 -9.495 1.00 0.00 H new ATOM 158 N VAL A 11 -0.902 2.912 -6.351 1.00 0.00 N ATOM 159 CA VAL A 11 -1.961 3.366 -5.411 1.00 0.00 C ATOM 160 C VAL A 11 -2.213 4.867 -5.587 1.00 0.00 C ATOM 161 O VAL A 11 -3.337 5.324 -5.553 1.00 0.00 O ATOM 162 CB VAL A 11 -1.508 3.090 -3.977 1.00 0.00 C ATOM 163 CG1 VAL A 11 -1.132 1.613 -3.834 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.294 3.959 -3.646 1.00 0.00 C ATOM 0 H VAL A 11 0.005 2.726 -5.924 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.884 2.826 -5.620 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.321 3.326 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.809 1.417 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.998 0.993 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.321 1.376 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.027 3.761 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.519 3.726 -4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.562 5.011 -3.745 1.00 0.00 H new ATOM 174 N VAL A 12 -1.174 5.638 -5.770 1.00 0.00 N ATOM 175 CA VAL A 12 -1.350 7.111 -5.937 1.00 0.00 C ATOM 176 C VAL A 12 -2.184 7.403 -7.185 1.00 0.00 C ATOM 177 O VAL A 12 -2.991 8.310 -7.206 1.00 0.00 O ATOM 178 CB VAL A 12 0.019 7.775 -6.081 1.00 0.00 C ATOM 179 CG1 VAL A 12 -0.164 9.251 -6.432 1.00 0.00 C ATOM 180 CG2 VAL A 12 0.785 7.656 -4.761 1.00 0.00 C ATOM 0 H VAL A 12 -0.209 5.311 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.864 7.507 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 12 0.581 7.280 -6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.812 9.724 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.709 9.337 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.726 9.746 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.762 8.129 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.223 8.150 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.917 6.603 -4.510 1.00 0.00 H new ATOM 190 N GLU A 13 -1.987 6.648 -8.227 1.00 0.00 N ATOM 191 CA GLU A 13 -2.760 6.888 -9.477 1.00 0.00 C ATOM 192 C GLU A 13 -4.260 6.819 -9.179 1.00 0.00 C ATOM 193 O GLU A 13 -5.050 7.549 -9.741 1.00 0.00 O ATOM 194 CB GLU A 13 -2.397 5.817 -10.506 1.00 0.00 C ATOM 195 CG GLU A 13 -3.047 6.143 -11.849 1.00 0.00 C ATOM 196 CD GLU A 13 -2.805 4.992 -12.827 1.00 0.00 C ATOM 197 OE1 GLU A 13 -2.182 4.023 -12.427 1.00 0.00 O ATOM 198 OE2 GLU A 13 -3.247 5.099 -13.958 1.00 0.00 O ATOM 0 H GLU A 13 -1.324 5.874 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.517 7.875 -9.870 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.314 5.762 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.731 4.839 -10.159 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.117 6.303 -11.717 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.633 7.068 -12.250 1.00 0.00 H new ATOM 205 N GLU A 14 -4.655 5.939 -8.303 1.00 0.00 N ATOM 206 CA GLU A 14 -6.103 5.810 -7.974 1.00 0.00 C ATOM 207 C GLU A 14 -6.603 7.056 -7.231 1.00 0.00 C ATOM 208 O GLU A 14 -7.732 7.472 -7.401 1.00 0.00 O ATOM 209 CB GLU A 14 -6.312 4.578 -7.090 1.00 0.00 C ATOM 210 CG GLU A 14 -5.966 3.314 -7.880 1.00 0.00 C ATOM 211 CD GLU A 14 -6.921 3.171 -9.067 1.00 0.00 C ATOM 212 OE1 GLU A 14 -6.594 2.428 -9.978 1.00 0.00 O ATOM 213 OE2 GLU A 14 -7.962 3.806 -9.044 1.00 0.00 O ATOM 0 H GLU A 14 -4.038 5.302 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.665 5.707 -8.902 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.686 4.646 -6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.346 4.534 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.936 3.365 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.039 2.439 -7.235 1.00 0.00 H new ATOM 220 N PHE A 15 -5.790 7.640 -6.394 1.00 0.00 N ATOM 221 CA PHE A 15 -6.253 8.840 -5.633 1.00 0.00 C ATOM 222 C PHE A 15 -5.952 10.122 -6.413 1.00 0.00 C ATOM 223 O PHE A 15 -6.849 10.850 -6.787 1.00 0.00 O ATOM 224 CB PHE A 15 -5.542 8.891 -4.279 1.00 0.00 C ATOM 225 CG PHE A 15 -5.736 7.576 -3.567 1.00 0.00 C ATOM 226 CD1 PHE A 15 -4.683 6.659 -3.503 1.00 0.00 C ATOM 227 CD2 PHE A 15 -6.970 7.268 -2.985 1.00 0.00 C ATOM 228 CE1 PHE A 15 -4.860 5.433 -2.856 1.00 0.00 C ATOM 229 CE2 PHE A 15 -7.149 6.041 -2.334 1.00 0.00 C ATOM 230 CZ PHE A 15 -6.093 5.122 -2.271 1.00 0.00 C ATOM 0 H PHE A 15 -4.833 7.343 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.330 8.765 -5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.479 9.088 -4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.941 9.707 -3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.731 6.898 -3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.784 7.976 -3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.045 4.726 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.100 5.803 -1.881 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.230 4.174 -1.771 1.00 0.00 H new ATOM 240 N LEU A 16 -4.699 10.411 -6.650 1.00 0.00 N ATOM 241 CA LEU A 16 -4.346 11.658 -7.393 1.00 0.00 C ATOM 242 C LEU A 16 -3.430 11.326 -8.573 1.00 0.00 C ATOM 243 O LEU A 16 -2.225 11.451 -8.486 1.00 0.00 O ATOM 244 CB LEU A 16 -3.620 12.617 -6.448 1.00 0.00 C ATOM 245 CG LEU A 16 -4.609 13.653 -5.912 1.00 0.00 C ATOM 246 CD1 LEU A 16 -3.976 14.405 -4.740 1.00 0.00 C ATOM 247 CD2 LEU A 16 -4.958 14.646 -7.023 1.00 0.00 C ATOM 0 H LEU A 16 -3.906 9.839 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.259 12.121 -7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.175 12.063 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.805 13.115 -6.974 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.515 13.149 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.681 15.143 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.725 13.699 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.070 14.909 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.663 15.385 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.051 15.149 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.409 14.112 -7.860 1.00 0.00 H new ATOM 259 N PRO A 17 -4.002 10.916 -9.673 1.00 0.00 N ATOM 260 CA PRO A 17 -3.234 10.571 -10.896 1.00 0.00 C ATOM 261 C PRO A 17 -2.851 11.814 -11.707 1.00 0.00 C ATOM 262 O PRO A 17 -1.958 11.778 -12.530 1.00 0.00 O ATOM 263 CB PRO A 17 -4.191 9.685 -11.687 1.00 0.00 C ATOM 264 CG PRO A 17 -5.567 10.059 -11.237 1.00 0.00 C ATOM 265 CD PRO A 17 -5.446 10.735 -9.867 1.00 0.00 C ATOM 0 HA PRO A 17 -2.289 10.083 -10.659 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.074 9.845 -12.759 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.992 8.630 -11.498 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.033 10.733 -11.955 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.201 9.175 -11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.972 11.690 -9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.878 10.117 -9.080 1.00 0.00 H new ATOM 273 N ASP A 18 -3.518 12.914 -11.479 1.00 0.00 N ATOM 274 CA ASP A 18 -3.186 14.153 -12.233 1.00 0.00 C ATOM 275 C ASP A 18 -1.911 14.762 -11.653 1.00 0.00 C ATOM 276 O ASP A 18 -1.387 15.737 -12.154 1.00 0.00 O ATOM 277 CB ASP A 18 -4.336 15.146 -12.097 1.00 0.00 C ATOM 278 CG ASP A 18 -5.569 14.606 -12.825 1.00 0.00 C ATOM 279 OD1 ASP A 18 -6.638 15.162 -12.631 1.00 0.00 O ATOM 280 OD2 ASP A 18 -5.423 13.647 -13.564 1.00 0.00 O ATOM 0 H ASP A 18 -4.277 13.006 -10.804 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.032 13.919 -13.286 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.566 15.310 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.048 16.111 -12.515 1.00 0.00 H new ATOM 285 N VAL A 19 -1.406 14.178 -10.601 1.00 0.00 N ATOM 286 CA VAL A 19 -0.157 14.693 -9.974 1.00 0.00 C ATOM 287 C VAL A 19 0.944 13.651 -10.156 1.00 0.00 C ATOM 288 O VAL A 19 0.701 12.463 -10.071 1.00 0.00 O ATOM 289 CB VAL A 19 -0.394 14.934 -8.481 1.00 0.00 C ATOM 290 CG1 VAL A 19 0.854 15.562 -7.861 1.00 0.00 C ATOM 291 CG2 VAL A 19 -1.583 15.880 -8.301 1.00 0.00 C ATOM 0 H VAL A 19 -1.809 13.359 -10.146 1.00 0.00 H new ATOM 0 HA VAL A 19 0.137 15.632 -10.443 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.605 13.985 -7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.685 15.734 -6.798 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.702 14.889 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.066 16.511 -8.353 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.753 16.053 -7.238 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.371 16.829 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.474 15.433 -8.743 1.00 0.00 H new ATOM 301 N ALA A 20 2.151 14.073 -10.412 1.00 0.00 N ATOM 302 CA ALA A 20 3.243 13.080 -10.604 1.00 0.00 C ATOM 303 C ALA A 20 3.408 12.274 -9.303 1.00 0.00 C ATOM 304 O ALA A 20 3.694 12.840 -8.266 1.00 0.00 O ATOM 305 CB ALA A 20 4.548 13.815 -10.916 1.00 0.00 C ATOM 0 H ALA A 20 2.426 15.052 -10.496 1.00 0.00 H new ATOM 0 HA ALA A 20 3.000 12.411 -11.430 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.349 13.090 -11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.426 14.403 -11.826 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.800 14.477 -10.088 1.00 0.00 H new ATOM 311 N PRO A 21 3.219 10.969 -9.331 1.00 0.00 N ATOM 312 CA PRO A 21 3.346 10.135 -8.103 1.00 0.00 C ATOM 313 C PRO A 21 4.775 10.133 -7.555 1.00 0.00 C ATOM 314 O PRO A 21 4.997 10.025 -6.366 1.00 0.00 O ATOM 315 CB PRO A 21 2.918 8.731 -8.538 1.00 0.00 C ATOM 316 CG PRO A 21 3.013 8.708 -10.027 1.00 0.00 C ATOM 317 CD PRO A 21 2.884 10.151 -10.514 1.00 0.00 C ATOM 0 HA PRO A 21 2.731 10.523 -7.291 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.564 7.973 -8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.901 8.515 -8.210 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.963 8.279 -10.345 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.225 8.087 -10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.563 10.353 -11.342 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.876 10.362 -10.870 1.00 0.00 H new ATOM 325 N ALA A 22 5.745 10.266 -8.418 1.00 0.00 N ATOM 326 CA ALA A 22 7.162 10.286 -7.955 1.00 0.00 C ATOM 327 C ALA A 22 7.425 11.598 -7.212 1.00 0.00 C ATOM 328 O ALA A 22 8.410 11.745 -6.517 1.00 0.00 O ATOM 329 CB ALA A 22 8.096 10.185 -9.163 1.00 0.00 C ATOM 0 H ALA A 22 5.617 10.362 -9.425 1.00 0.00 H new ATOM 0 HA ALA A 22 7.344 9.443 -7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.132 10.200 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.902 9.254 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.921 11.029 -9.830 1.00 0.00 H new ATOM 335 N ASP A 23 6.545 12.550 -7.359 1.00 0.00 N ATOM 336 CA ASP A 23 6.731 13.856 -6.669 1.00 0.00 C ATOM 337 C ASP A 23 6.140 13.768 -5.265 1.00 0.00 C ATOM 338 O ASP A 23 6.100 14.736 -4.533 1.00 0.00 O ATOM 339 CB ASP A 23 6.015 14.956 -7.457 1.00 0.00 C ATOM 340 CG ASP A 23 6.703 15.147 -8.810 1.00 0.00 C ATOM 341 OD1 ASP A 23 7.794 14.629 -8.975 1.00 0.00 O ATOM 342 OD2 ASP A 23 6.127 15.811 -9.657 1.00 0.00 O ATOM 0 H ASP A 23 5.702 12.478 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 23 7.794 14.091 -6.606 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.968 14.690 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.031 15.890 -6.894 1.00 0.00 H new ATOM 347 N VAL A 24 5.686 12.607 -4.883 1.00 0.00 N ATOM 348 CA VAL A 24 5.102 12.447 -3.524 1.00 0.00 C ATOM 349 C VAL A 24 6.162 11.847 -2.604 1.00 0.00 C ATOM 350 O VAL A 24 6.863 10.924 -2.968 1.00 0.00 O ATOM 351 CB VAL A 24 3.893 11.512 -3.593 1.00 0.00 C ATOM 352 CG1 VAL A 24 3.243 11.416 -2.212 1.00 0.00 C ATOM 353 CG2 VAL A 24 2.878 12.066 -4.595 1.00 0.00 C ATOM 0 H VAL A 24 5.695 11.762 -5.454 1.00 0.00 H new ATOM 0 HA VAL A 24 4.782 13.415 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 24 4.217 10.521 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.382 10.750 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.965 11.023 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.918 12.406 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.016 11.401 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.554 13.056 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.340 12.136 -5.580 1.00 0.00 H new ATOM 363 N ASP A 25 6.296 12.369 -1.418 1.00 0.00 N ATOM 364 CA ASP A 25 7.322 11.832 -0.486 1.00 0.00 C ATOM 365 C ASP A 25 6.904 10.441 -0.007 1.00 0.00 C ATOM 366 O ASP A 25 6.335 10.287 1.055 1.00 0.00 O ATOM 367 CB ASP A 25 7.454 12.769 0.716 1.00 0.00 C ATOM 368 CG ASP A 25 8.033 14.108 0.258 1.00 0.00 C ATOM 369 OD1 ASP A 25 8.513 14.172 -0.861 1.00 0.00 O ATOM 370 OD2 ASP A 25 7.986 15.048 1.036 1.00 0.00 O ATOM 0 H ASP A 25 5.740 13.143 -1.055 1.00 0.00 H new ATOM 0 HA ASP A 25 8.280 11.762 -1.001 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.480 12.922 1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.100 12.321 1.471 1.00 0.00 H new ATOM 375 N VAL A 26 7.184 9.426 -0.780 1.00 0.00 N ATOM 376 CA VAL A 26 6.803 8.048 -0.356 1.00 0.00 C ATOM 377 C VAL A 26 7.565 7.688 0.922 1.00 0.00 C ATOM 378 O VAL A 26 7.399 6.618 1.476 1.00 0.00 O ATOM 379 CB VAL A 26 7.166 7.057 -1.462 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.511 7.493 -2.775 1.00 0.00 C ATOM 381 CG2 VAL A 26 8.686 7.024 -1.639 1.00 0.00 C ATOM 0 H VAL A 26 7.657 9.491 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 26 5.730 8.004 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 26 6.809 6.064 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.770 6.786 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.428 7.517 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.867 8.486 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.945 6.317 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.042 8.018 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.154 6.713 -0.705 1.00 0.00 H new ATOM 391 N ASP A 27 8.393 8.578 1.401 1.00 0.00 N ATOM 392 CA ASP A 27 9.157 8.300 2.645 1.00 0.00 C ATOM 393 C ASP A 27 8.476 9.004 3.822 1.00 0.00 C ATOM 394 O ASP A 27 9.010 9.075 4.912 1.00 0.00 O ATOM 395 CB ASP A 27 10.585 8.821 2.483 1.00 0.00 C ATOM 396 CG ASP A 27 10.569 10.342 2.309 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.543 10.942 2.579 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.587 10.881 1.908 1.00 0.00 O ATOM 0 H ASP A 27 8.572 9.489 0.979 1.00 0.00 H new ATOM 0 HA ASP A 27 9.184 7.227 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.180 8.552 3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.056 8.352 1.619 1.00 0.00 H new ATOM 403 N LEU A 28 7.301 9.526 3.604 1.00 0.00 N ATOM 404 CA LEU A 28 6.574 10.234 4.696 1.00 0.00 C ATOM 405 C LEU A 28 5.667 9.248 5.424 1.00 0.00 C ATOM 406 O LEU A 28 5.115 8.344 4.829 1.00 0.00 O ATOM 407 CB LEU A 28 5.725 11.358 4.100 1.00 0.00 C ATOM 408 CG LEU A 28 5.078 12.166 5.228 1.00 0.00 C ATOM 409 CD1 LEU A 28 6.153 12.945 5.992 1.00 0.00 C ATOM 410 CD2 LEU A 28 4.068 13.149 4.632 1.00 0.00 C ATOM 0 H LEU A 28 6.810 9.493 2.711 1.00 0.00 H new ATOM 0 HA LEU A 28 7.294 10.655 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.345 12.008 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.956 10.941 3.450 1.00 0.00 H new ATOM 0 HG LEU A 28 4.571 11.486 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.687 13.518 6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.875 12.248 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.664 13.625 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.606 13.726 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.579 13.825 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.299 12.597 4.091 1.00 0.00 H new ATOM 422 N ASP A 29 5.503 9.412 6.706 1.00 0.00 N ATOM 423 CA ASP A 29 4.627 8.478 7.449 1.00 0.00 C ATOM 424 C ASP A 29 3.228 8.565 6.853 1.00 0.00 C ATOM 425 O ASP A 29 2.624 9.618 6.805 1.00 0.00 O ATOM 426 CB ASP A 29 4.586 8.869 8.927 1.00 0.00 C ATOM 427 CG ASP A 29 5.968 8.661 9.549 1.00 0.00 C ATOM 428 OD1 ASP A 29 6.181 9.147 10.648 1.00 0.00 O ATOM 429 OD2 ASP A 29 6.791 8.020 8.916 1.00 0.00 O ATOM 0 H ASP A 29 5.936 10.148 7.264 1.00 0.00 H new ATOM 0 HA ASP A 29 5.008 7.460 7.370 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.282 9.911 9.030 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.845 8.267 9.453 1.00 0.00 H new ATOM 434 N LEU A 30 2.717 7.469 6.380 1.00 0.00 N ATOM 435 CA LEU A 30 1.368 7.485 5.763 1.00 0.00 C ATOM 436 C LEU A 30 0.327 7.911 6.796 1.00 0.00 C ATOM 437 O LEU A 30 -0.808 8.188 6.459 1.00 0.00 O ATOM 438 CB LEU A 30 1.024 6.088 5.247 1.00 0.00 C ATOM 439 CG LEU A 30 2.073 5.638 4.231 1.00 0.00 C ATOM 440 CD1 LEU A 30 1.679 4.270 3.676 1.00 0.00 C ATOM 441 CD2 LEU A 30 2.145 6.649 3.084 1.00 0.00 C ATOM 0 H LEU A 30 3.177 6.559 6.394 1.00 0.00 H new ATOM 0 HA LEU A 30 1.365 8.194 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.983 5.383 6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.037 6.094 4.785 1.00 0.00 H new ATOM 0 HG LEU A 30 3.047 5.573 4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.424 3.944 2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.626 3.548 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.706 4.341 3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.894 6.326 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.173 6.715 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.420 7.627 3.478 1.00 0.00 H new ATOM 453 N VAL A 31 0.683 7.962 8.051 1.00 0.00 N ATOM 454 CA VAL A 31 -0.326 8.367 9.067 1.00 0.00 C ATOM 455 C VAL A 31 -0.986 9.662 8.610 1.00 0.00 C ATOM 456 O VAL A 31 -2.193 9.798 8.636 1.00 0.00 O ATOM 457 CB VAL A 31 0.345 8.583 10.426 1.00 0.00 C ATOM 458 CG1 VAL A 31 -0.593 9.383 11.332 1.00 0.00 C ATOM 459 CG2 VAL A 31 0.628 7.228 11.076 1.00 0.00 C ATOM 0 H VAL A 31 1.612 7.745 8.411 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.073 7.580 9.171 1.00 0.00 H new ATOM 0 HB VAL A 31 1.279 9.127 10.286 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.118 9.539 12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.806 10.348 10.873 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.524 8.833 11.469 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.106 7.381 12.044 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.309 6.689 11.215 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.289 6.647 10.433 1.00 0.00 H new ATOM 469 N ASP A 32 -0.210 10.605 8.160 1.00 0.00 N ATOM 470 CA ASP A 32 -0.806 11.874 7.668 1.00 0.00 C ATOM 471 C ASP A 32 -1.780 11.516 6.549 1.00 0.00 C ATOM 472 O ASP A 32 -2.823 12.118 6.389 1.00 0.00 O ATOM 473 CB ASP A 32 0.294 12.790 7.126 1.00 0.00 C ATOM 474 CG ASP A 32 -0.293 14.171 6.829 1.00 0.00 C ATOM 475 OD1 ASP A 32 -1.453 14.382 7.142 1.00 0.00 O ATOM 476 OD2 ASP A 32 0.430 14.997 6.294 1.00 0.00 O ATOM 0 H ASP A 32 0.807 10.552 8.112 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.320 12.397 8.475 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.102 12.875 7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.724 12.363 6.220 1.00 0.00 H new ATOM 481 N ASN A 33 -1.438 10.515 5.785 1.00 0.00 N ATOM 482 CA ASN A 33 -2.321 10.068 4.678 1.00 0.00 C ATOM 483 C ASN A 33 -3.330 9.061 5.233 1.00 0.00 C ATOM 484 O ASN A 33 -3.918 8.287 4.503 1.00 0.00 O ATOM 485 CB ASN A 33 -1.481 9.403 3.589 1.00 0.00 C ATOM 486 CG ASN A 33 -0.339 10.337 3.180 1.00 0.00 C ATOM 487 OD1 ASN A 33 0.754 9.890 2.896 1.00 0.00 O ATOM 488 ND2 ASN A 33 -0.548 11.624 3.141 1.00 0.00 N ATOM 0 H ASN A 33 -0.573 9.983 5.884 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.844 10.924 4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.079 8.457 3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.104 9.173 2.724 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.207 12.255 2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.466 11.999 3.380 1.00 0.00 H new ATOM 495 N GLY A 34 -3.519 9.056 6.526 1.00 0.00 N ATOM 496 CA GLY A 34 -4.475 8.092 7.144 1.00 0.00 C ATOM 497 C GLY A 34 -5.735 8.006 6.286 1.00 0.00 C ATOM 498 O GLY A 34 -6.497 7.063 6.378 1.00 0.00 O ATOM 0 H GLY A 34 -3.051 9.680 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.012 7.109 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.731 8.413 8.154 1.00 0.00 H new ATOM 502 N VAL A 35 -5.956 8.973 5.442 1.00 0.00 N ATOM 503 CA VAL A 35 -7.159 8.932 4.568 1.00 0.00 C ATOM 504 C VAL A 35 -7.182 7.590 3.837 1.00 0.00 C ATOM 505 O VAL A 35 -8.219 6.985 3.651 1.00 0.00 O ATOM 506 CB VAL A 35 -7.087 10.069 3.547 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.154 9.862 2.470 1.00 0.00 C ATOM 508 CG2 VAL A 35 -7.332 11.404 4.253 1.00 0.00 C ATOM 0 H VAL A 35 -5.356 9.789 5.320 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.062 9.047 5.167 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.100 10.075 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.100 10.673 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.982 8.911 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.141 9.854 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.281 12.215 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.318 11.394 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.572 11.555 5.019 1.00 0.00 H new ATOM 518 N ILE A 36 -6.036 7.123 3.425 1.00 0.00 N ATOM 519 CA ILE A 36 -5.970 5.820 2.708 1.00 0.00 C ATOM 520 C ILE A 36 -6.264 4.684 3.691 1.00 0.00 C ATOM 521 O ILE A 36 -6.669 3.604 3.310 1.00 0.00 O ATOM 522 CB ILE A 36 -4.561 5.630 2.145 1.00 0.00 C ATOM 523 CG1 ILE A 36 -4.604 4.643 0.976 1.00 0.00 C ATOM 524 CG2 ILE A 36 -3.652 5.071 3.240 1.00 0.00 C ATOM 525 CD1 ILE A 36 -3.181 4.214 0.618 1.00 0.00 C ATOM 0 H ILE A 36 -5.139 7.590 3.555 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.702 5.811 1.900 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.177 6.589 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.201 3.772 1.244 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.084 5.105 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.646 4.934 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.620 5.768 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.041 4.112 3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.211 3.511 -0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.598 5.090 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.718 3.735 1.480 1.00 0.00 H new ATOM 537 N ASP A 37 -6.038 4.920 4.951 1.00 0.00 N ATOM 538 CA ASP A 37 -6.273 3.863 5.974 1.00 0.00 C ATOM 539 C ASP A 37 -7.715 3.351 5.910 1.00 0.00 C ATOM 540 O ASP A 37 -7.976 2.198 6.192 1.00 0.00 O ATOM 541 CB ASP A 37 -6.003 4.440 7.365 1.00 0.00 C ATOM 542 CG ASP A 37 -5.998 3.308 8.395 1.00 0.00 C ATOM 543 OD1 ASP A 37 -6.089 2.162 7.987 1.00 0.00 O ATOM 544 OD2 ASP A 37 -5.901 3.607 9.573 1.00 0.00 O ATOM 0 H ASP A 37 -5.697 5.808 5.321 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.600 3.029 5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.045 4.959 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.767 5.175 7.620 1.00 0.00 H new ATOM 549 N SER A 38 -8.655 4.194 5.572 1.00 0.00 N ATOM 550 CA SER A 38 -10.078 3.741 5.528 1.00 0.00 C ATOM 551 C SER A 38 -10.619 3.763 4.097 1.00 0.00 C ATOM 552 O SER A 38 -10.974 2.741 3.544 1.00 0.00 O ATOM 553 CB SER A 38 -10.924 4.667 6.401 1.00 0.00 C ATOM 554 OG SER A 38 -10.568 4.476 7.776 1.00 0.00 O ATOM 0 H SER A 38 -8.501 5.172 5.326 1.00 0.00 H new ATOM 0 HA SER A 38 -10.128 2.717 5.899 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.763 5.706 6.112 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.983 4.456 6.255 1.00 0.00 H new ATOM 559 N LEU A 39 -10.712 4.916 3.498 1.00 0.00 N ATOM 560 CA LEU A 39 -11.260 4.987 2.113 1.00 0.00 C ATOM 561 C LEU A 39 -10.347 4.237 1.146 1.00 0.00 C ATOM 562 O LEU A 39 -10.790 3.411 0.373 1.00 0.00 O ATOM 563 CB LEU A 39 -11.365 6.449 1.678 1.00 0.00 C ATOM 564 CG LEU A 39 -12.506 7.140 2.430 1.00 0.00 C ATOM 565 CD1 LEU A 39 -12.039 7.554 3.828 1.00 0.00 C ATOM 566 CD2 LEU A 39 -12.941 8.381 1.651 1.00 0.00 C ATOM 0 H LEU A 39 -10.434 5.810 3.904 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.248 4.527 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.425 6.964 1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.540 6.505 0.604 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.344 6.449 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.858 8.045 4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.728 6.670 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.199 8.243 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.753 8.877 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.098 9.065 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.282 8.087 0.659 1.00 0.00 H new ATOM 578 N GLY A 40 -9.079 4.519 1.178 1.00 0.00 N ATOM 579 CA GLY A 40 -8.139 3.824 0.258 1.00 0.00 C ATOM 580 C GLY A 40 -7.982 2.365 0.677 1.00 0.00 C ATOM 581 O GLY A 40 -7.923 1.474 -0.147 1.00 0.00 O ATOM 0 H GLY A 40 -8.650 5.202 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.511 3.879 -0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.169 4.321 0.272 1.00 0.00 H new ATOM 585 N LEU A 41 -7.903 2.117 1.952 1.00 0.00 N ATOM 586 CA LEU A 41 -7.739 0.717 2.428 1.00 0.00 C ATOM 587 C LEU A 41 -8.911 -0.130 1.935 1.00 0.00 C ATOM 588 O LEU A 41 -8.743 -1.261 1.527 1.00 0.00 O ATOM 589 CB LEU A 41 -7.702 0.710 3.960 1.00 0.00 C ATOM 590 CG LEU A 41 -7.375 -0.695 4.469 1.00 0.00 C ATOM 591 CD1 LEU A 41 -6.449 -0.590 5.682 1.00 0.00 C ATOM 592 CD2 LEU A 41 -8.670 -1.402 4.881 1.00 0.00 C ATOM 0 H LEU A 41 -7.945 2.824 2.686 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.810 0.301 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.954 1.418 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.664 1.035 4.357 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.884 -1.264 3.680 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.214 -1.589 6.048 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.528 -0.083 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.944 -0.023 6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.438 -2.403 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.159 -0.834 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.335 -1.473 4.021 1.00 0.00 H new ATOM 604 N LEU A 42 -10.096 0.406 1.966 1.00 0.00 N ATOM 605 CA LEU A 42 -11.275 -0.374 1.494 1.00 0.00 C ATOM 606 C LEU A 42 -11.147 -0.630 -0.010 1.00 0.00 C ATOM 607 O LEU A 42 -11.386 -1.721 -0.488 1.00 0.00 O ATOM 608 CB LEU A 42 -12.555 0.421 1.772 1.00 0.00 C ATOM 609 CG LEU A 42 -13.781 -0.431 1.440 1.00 0.00 C ATOM 610 CD1 LEU A 42 -14.088 -1.358 2.612 1.00 0.00 C ATOM 611 CD2 LEU A 42 -14.982 0.484 1.187 1.00 0.00 C ATOM 0 H LEU A 42 -10.301 1.349 2.297 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.318 -1.327 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.585 0.724 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.563 1.333 1.176 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.581 -1.026 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.962 -1.966 2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -13.233 -2.008 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.289 -0.763 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -15.857 -0.121 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.182 1.077 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.763 1.148 0.351 1.00 0.00 H new ATOM 623 N LYS A 43 -10.771 0.371 -0.760 1.00 0.00 N ATOM 624 CA LYS A 43 -10.626 0.193 -2.230 1.00 0.00 C ATOM 625 C LYS A 43 -9.493 -0.792 -2.529 1.00 0.00 C ATOM 626 O LYS A 43 -9.571 -1.581 -3.450 1.00 0.00 O ATOM 627 CB LYS A 43 -10.308 1.542 -2.868 1.00 0.00 C ATOM 628 CG LYS A 43 -11.498 2.486 -2.687 1.00 0.00 C ATOM 629 CD LYS A 43 -11.224 3.800 -3.423 1.00 0.00 C ATOM 630 CE LYS A 43 -12.357 4.788 -3.142 1.00 0.00 C ATOM 631 NZ LYS A 43 -12.209 5.335 -1.765 1.00 0.00 N ATOM 0 H LYS A 43 -10.558 1.307 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.556 -0.201 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.417 1.971 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.091 1.413 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.406 2.023 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.665 2.678 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.272 4.220 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.143 3.619 -4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.336 5.598 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.321 4.291 -3.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.123 5.283 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.502 4.778 -1.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.899 6.326 -1.817 1.00 0.00 H new ATOM 645 N VAL A 44 -8.437 -0.743 -1.765 1.00 0.00 N ATOM 646 CA VAL A 44 -7.292 -1.666 -2.013 1.00 0.00 C ATOM 647 C VAL A 44 -7.741 -3.119 -1.838 1.00 0.00 C ATOM 648 O VAL A 44 -7.396 -3.982 -2.619 1.00 0.00 O ATOM 649 CB VAL A 44 -6.171 -1.357 -1.020 1.00 0.00 C ATOM 650 CG1 VAL A 44 -5.078 -2.420 -1.132 1.00 0.00 C ATOM 651 CG2 VAL A 44 -5.577 0.018 -1.336 1.00 0.00 C ATOM 0 H VAL A 44 -8.317 -0.104 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.933 -1.525 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.574 -1.358 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.280 -2.198 -0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.499 -3.400 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.674 -2.421 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.778 0.240 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.175 0.017 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.355 0.778 -1.255 1.00 0.00 H new ATOM 661 N ILE A 45 -8.503 -3.396 -0.818 1.00 0.00 N ATOM 662 CA ILE A 45 -8.966 -4.792 -0.592 1.00 0.00 C ATOM 663 C ILE A 45 -9.842 -5.247 -1.763 1.00 0.00 C ATOM 664 O ILE A 45 -9.639 -6.304 -2.327 1.00 0.00 O ATOM 665 CB ILE A 45 -9.771 -4.841 0.711 1.00 0.00 C ATOM 666 CG1 ILE A 45 -8.850 -5.239 1.868 1.00 0.00 C ATOM 667 CG2 ILE A 45 -10.899 -5.865 0.586 1.00 0.00 C ATOM 668 CD1 ILE A 45 -7.799 -4.151 2.093 1.00 0.00 C ATOM 0 H ILE A 45 -8.825 -2.715 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.106 -5.458 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.197 -3.857 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.435 -5.386 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.362 -6.188 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.468 -5.895 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.559 -5.581 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.476 -6.850 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.147 -4.440 2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.205 -4.026 1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.295 -3.211 2.335 1.00 0.00 H new ATOM 680 N ALA A 46 -10.818 -4.463 -2.126 1.00 0.00 N ATOM 681 CA ALA A 46 -11.712 -4.857 -3.254 1.00 0.00 C ATOM 682 C ALA A 46 -10.930 -4.862 -4.570 1.00 0.00 C ATOM 683 O ALA A 46 -11.178 -5.670 -5.443 1.00 0.00 O ATOM 684 CB ALA A 46 -12.869 -3.863 -3.354 1.00 0.00 C ATOM 0 H ALA A 46 -11.037 -3.566 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.100 -5.858 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.524 -4.148 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.434 -3.868 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.475 -2.863 -3.534 1.00 0.00 H new ATOM 690 N TRP A 47 -9.995 -3.965 -4.727 1.00 0.00 N ATOM 691 CA TRP A 47 -9.212 -3.926 -5.994 1.00 0.00 C ATOM 692 C TRP A 47 -8.348 -5.179 -6.111 1.00 0.00 C ATOM 693 O TRP A 47 -8.258 -5.789 -7.158 1.00 0.00 O ATOM 694 CB TRP A 47 -8.305 -2.696 -6.003 1.00 0.00 C ATOM 695 CG TRP A 47 -7.098 -2.992 -6.832 1.00 0.00 C ATOM 696 CD1 TRP A 47 -7.044 -2.925 -8.181 1.00 0.00 C ATOM 697 CD2 TRP A 47 -5.774 -3.411 -6.389 1.00 0.00 C ATOM 698 NE1 TRP A 47 -5.771 -3.276 -8.595 1.00 0.00 N ATOM 699 CE2 TRP A 47 -4.952 -3.584 -7.526 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.214 -3.654 -5.121 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -3.620 -3.985 -7.411 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -3.874 -4.058 -5.002 1.00 0.00 C ATOM 703 CH2 TRP A 47 -3.078 -4.222 -6.144 1.00 0.00 C ATOM 0 H TRP A 47 -9.740 -3.260 -4.035 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.905 -3.880 -6.834 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.839 -1.837 -6.408 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.010 -2.438 -4.986 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -7.861 -2.644 -8.829 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.474 -3.304 -9.570 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.818 -3.529 -4.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -3.012 -4.111 -8.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.454 -4.243 -4.024 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.048 -4.531 -6.045 1.00 0.00 H new ATOM 714 N LEU A 48 -7.700 -5.558 -5.047 1.00 0.00 N ATOM 715 CA LEU A 48 -6.827 -6.758 -5.097 1.00 0.00 C ATOM 716 C LEU A 48 -7.645 -7.973 -5.535 1.00 0.00 C ATOM 717 O LEU A 48 -7.217 -8.755 -6.361 1.00 0.00 O ATOM 718 CB LEU A 48 -6.253 -7.001 -3.702 1.00 0.00 C ATOM 719 CG LEU A 48 -5.204 -8.101 -3.756 1.00 0.00 C ATOM 720 CD1 LEU A 48 -3.862 -7.483 -4.128 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.101 -8.769 -2.385 1.00 0.00 C ATOM 0 H LEU A 48 -7.738 -5.086 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.019 -6.601 -5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.810 -6.083 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.051 -7.282 -3.015 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.483 -8.848 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.101 -8.263 -4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.941 -7.001 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.582 -6.743 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.350 -9.558 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.814 -8.027 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.066 -9.199 -2.116 1.00 0.00 H new ATOM 733 N GLU A 49 -8.821 -8.135 -4.997 1.00 0.00 N ATOM 734 CA GLU A 49 -9.664 -9.296 -5.394 1.00 0.00 C ATOM 735 C GLU A 49 -10.078 -9.146 -6.859 1.00 0.00 C ATOM 736 O GLU A 49 -10.135 -10.104 -7.600 1.00 0.00 O ATOM 737 CB GLU A 49 -10.912 -9.344 -4.506 1.00 0.00 C ATOM 738 CG GLU A 49 -11.772 -10.545 -4.888 1.00 0.00 C ATOM 739 CD GLU A 49 -13.052 -10.545 -4.050 1.00 0.00 C ATOM 740 OE1 GLU A 49 -13.223 -9.625 -3.267 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.840 -11.462 -4.207 1.00 0.00 O ATOM 0 H GLU A 49 -9.234 -7.515 -4.301 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.098 -10.220 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.621 -9.412 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.485 -8.424 -4.619 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.019 -10.505 -5.949 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.218 -11.469 -4.724 1.00 0.00 H new ATOM 748 N ASP A 50 -10.374 -7.951 -7.280 1.00 0.00 N ATOM 749 CA ASP A 50 -10.793 -7.741 -8.692 1.00 0.00 C ATOM 750 C ASP A 50 -9.646 -8.074 -9.651 1.00 0.00 C ATOM 751 O ASP A 50 -9.850 -8.651 -10.701 1.00 0.00 O ATOM 752 CB ASP A 50 -11.193 -6.279 -8.880 1.00 0.00 C ATOM 753 CG ASP A 50 -11.829 -6.095 -10.260 1.00 0.00 C ATOM 754 OD1 ASP A 50 -12.115 -4.963 -10.612 1.00 0.00 O ATOM 755 OD2 ASP A 50 -12.018 -7.090 -10.940 1.00 0.00 O ATOM 0 H ASP A 50 -10.344 -7.108 -6.706 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.635 -8.397 -8.911 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.895 -5.981 -8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.318 -5.636 -8.783 1.00 0.00 H new ATOM 760 N ARG A 51 -8.446 -7.689 -9.316 1.00 0.00 N ATOM 761 CA ARG A 51 -7.292 -7.953 -10.225 1.00 0.00 C ATOM 762 C ARG A 51 -6.676 -9.336 -9.971 1.00 0.00 C ATOM 763 O ARG A 51 -6.571 -10.150 -10.868 1.00 0.00 O ATOM 764 CB ARG A 51 -6.225 -6.880 -10.001 1.00 0.00 C ATOM 765 CG ARG A 51 -5.094 -7.063 -11.016 1.00 0.00 C ATOM 766 CD ARG A 51 -4.002 -6.026 -10.755 1.00 0.00 C ATOM 767 NE ARG A 51 -2.961 -6.121 -11.817 1.00 0.00 N ATOM 768 CZ ARG A 51 -1.786 -5.587 -11.628 1.00 0.00 C ATOM 769 NH1 ARG A 51 -0.874 -5.670 -12.559 1.00 0.00 N ATOM 770 NH2 ARG A 51 -1.520 -4.970 -10.509 1.00 0.00 N ATOM 0 H ARG A 51 -8.213 -7.202 -8.451 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.655 -7.928 -11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.664 -5.888 -10.106 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.832 -6.949 -8.987 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.681 -8.069 -10.939 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.479 -6.954 -12.030 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.433 -5.025 -10.742 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.554 -6.193 -9.776 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.167 -6.604 -12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.081 -6.152 -13.434 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.045 -5.252 -12.411 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.231 -4.905 -9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.601 -4.553 -10.363 1.00 0.00 H new ATOM 784 N PHE A 52 -6.228 -9.592 -8.773 1.00 0.00 N ATOM 785 CA PHE A 52 -5.576 -10.901 -8.481 1.00 0.00 C ATOM 786 C PHE A 52 -6.610 -12.009 -8.262 1.00 0.00 C ATOM 787 O PHE A 52 -6.296 -13.178 -8.362 1.00 0.00 O ATOM 788 CB PHE A 52 -4.716 -10.753 -7.228 1.00 0.00 C ATOM 789 CG PHE A 52 -3.564 -9.821 -7.517 1.00 0.00 C ATOM 790 CD1 PHE A 52 -2.385 -10.318 -8.084 1.00 0.00 C ATOM 791 CD2 PHE A 52 -3.676 -8.456 -7.221 1.00 0.00 C ATOM 792 CE1 PHE A 52 -1.317 -9.454 -8.354 1.00 0.00 C ATOM 793 CE2 PHE A 52 -2.609 -7.591 -7.490 1.00 0.00 C ATOM 794 CZ PHE A 52 -1.430 -8.091 -8.057 1.00 0.00 C ATOM 0 H PHE A 52 -6.285 -8.951 -7.982 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.963 -11.181 -9.338 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.316 -10.363 -6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.340 -11.727 -6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.299 -11.370 -8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.586 -8.071 -6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.407 -9.839 -8.791 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.695 -6.539 -7.261 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.607 -7.424 -8.265 1.00 0.00 H new ATOM 804 N GLY A 53 -7.831 -11.672 -7.956 1.00 0.00 N ATOM 805 CA GLY A 53 -8.845 -12.742 -7.730 1.00 0.00 C ATOM 806 C GLY A 53 -8.643 -13.334 -6.333 1.00 0.00 C ATOM 807 O GLY A 53 -8.909 -14.495 -6.094 1.00 0.00 O ATOM 0 H GLY A 53 -8.169 -10.715 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.851 -12.333 -7.824 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.746 -13.520 -8.487 1.00 0.00 H new ATOM 811 N ILE A 54 -8.166 -12.542 -5.412 1.00 0.00 N ATOM 812 CA ILE A 54 -7.935 -13.050 -4.032 1.00 0.00 C ATOM 813 C ILE A 54 -9.035 -12.529 -3.108 1.00 0.00 C ATOM 814 O ILE A 54 -9.480 -11.407 -3.229 1.00 0.00 O ATOM 815 CB ILE A 54 -6.580 -12.550 -3.533 1.00 0.00 C ATOM 816 CG1 ILE A 54 -5.487 -12.983 -4.512 1.00 0.00 C ATOM 817 CG2 ILE A 54 -6.291 -13.144 -2.153 1.00 0.00 C ATOM 818 CD1 ILE A 54 -4.194 -12.232 -4.191 1.00 0.00 C ATOM 0 H ILE A 54 -7.926 -11.561 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.948 -14.140 -4.036 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.598 -11.462 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.324 -14.058 -4.440 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.797 -12.775 -5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.324 -12.787 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.070 -12.838 -1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.273 -14.232 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.413 -12.538 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.363 -11.159 -4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.883 -12.462 -3.172 1.00 0.00 H new ATOM 830 N ALA A 55 -9.477 -13.335 -2.182 1.00 0.00 N ATOM 831 CA ALA A 55 -10.547 -12.883 -1.251 1.00 0.00 C ATOM 832 C ALA A 55 -10.045 -11.680 -0.454 1.00 0.00 C ATOM 833 O ALA A 55 -8.859 -11.501 -0.265 1.00 0.00 O ATOM 834 CB ALA A 55 -10.904 -14.021 -0.291 1.00 0.00 C ATOM 0 H ALA A 55 -9.143 -14.287 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.433 -12.601 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.687 -13.690 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.258 -14.880 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.021 -14.304 0.282 1.00 0.00 H new ATOM 840 N ALA A 56 -10.936 -10.845 0.003 1.00 0.00 N ATOM 841 CA ALA A 56 -10.502 -9.648 0.773 1.00 0.00 C ATOM 842 C ALA A 56 -9.613 -10.084 1.938 1.00 0.00 C ATOM 843 O ALA A 56 -8.621 -9.451 2.244 1.00 0.00 O ATOM 844 CB ALA A 56 -11.733 -8.918 1.316 1.00 0.00 C ATOM 0 H ALA A 56 -11.944 -10.940 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.941 -8.980 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.416 -8.041 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.367 -8.606 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.294 -9.587 1.969 1.00 0.00 H new ATOM 850 N ASP A 57 -9.953 -11.161 2.588 1.00 0.00 N ATOM 851 CA ASP A 57 -9.118 -11.633 3.726 1.00 0.00 C ATOM 852 C ASP A 57 -8.891 -10.477 4.700 1.00 0.00 C ATOM 853 O ASP A 57 -7.781 -10.216 5.121 1.00 0.00 O ATOM 854 CB ASP A 57 -7.772 -12.129 3.201 1.00 0.00 C ATOM 855 CG ASP A 57 -7.988 -13.365 2.325 1.00 0.00 C ATOM 856 OD1 ASP A 57 -9.074 -13.921 2.376 1.00 0.00 O ATOM 857 OD2 ASP A 57 -7.065 -13.736 1.620 1.00 0.00 O ATOM 0 H ASP A 57 -10.771 -11.734 2.381 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.628 -12.448 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.283 -11.343 2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.112 -12.372 4.034 1.00 0.00 H new ATOM 862 N ASP A 58 -9.931 -9.776 5.057 1.00 0.00 N ATOM 863 CA ASP A 58 -9.768 -8.632 5.996 1.00 0.00 C ATOM 864 C ASP A 58 -9.186 -9.130 7.320 1.00 0.00 C ATOM 865 O ASP A 58 -9.623 -10.122 7.869 1.00 0.00 O ATOM 866 CB ASP A 58 -11.128 -7.985 6.249 1.00 0.00 C ATOM 867 CG ASP A 58 -11.624 -7.319 4.964 1.00 0.00 C ATOM 868 OD1 ASP A 58 -12.792 -6.970 4.914 1.00 0.00 O ATOM 869 OD2 ASP A 58 -10.827 -7.168 4.053 1.00 0.00 O ATOM 0 H ASP A 58 -10.885 -9.946 4.739 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.091 -7.899 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.844 -8.737 6.581 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.048 -7.246 7.047 1.00 0.00 H new ATOM 874 N VAL A 59 -8.199 -8.444 7.833 1.00 0.00 N ATOM 875 CA VAL A 59 -7.577 -8.864 9.121 1.00 0.00 C ATOM 876 C VAL A 59 -7.576 -7.682 10.090 1.00 0.00 C ATOM 877 O VAL A 59 -7.328 -6.556 9.710 1.00 0.00 O ATOM 878 CB VAL A 59 -6.140 -9.316 8.868 1.00 0.00 C ATOM 879 CG1 VAL A 59 -5.541 -9.869 10.163 1.00 0.00 C ATOM 880 CG2 VAL A 59 -6.131 -10.409 7.796 1.00 0.00 C ATOM 0 H VAL A 59 -7.796 -7.607 7.412 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.146 -9.688 9.551 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.548 -8.466 8.528 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.516 -10.191 9.981 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.547 -9.092 10.927 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.133 -10.718 10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.106 -10.732 7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.724 -11.258 8.137 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.556 -10.016 6.872 1.00 0.00 H new ATOM 890 N GLU A 60 -7.855 -7.926 11.342 1.00 0.00 N ATOM 891 CA GLU A 60 -7.868 -6.808 12.328 1.00 0.00 C ATOM 892 C GLU A 60 -6.447 -6.283 12.532 1.00 0.00 C ATOM 893 O GLU A 60 -5.733 -6.729 13.410 1.00 0.00 O ATOM 894 CB GLU A 60 -8.421 -7.311 13.661 1.00 0.00 C ATOM 895 CG GLU A 60 -8.431 -6.167 14.667 1.00 0.00 C ATOM 896 CD GLU A 60 -9.001 -6.657 15.999 1.00 0.00 C ATOM 897 OE1 GLU A 60 -9.304 -7.835 16.094 1.00 0.00 O ATOM 898 OE2 GLU A 60 -9.124 -5.846 16.902 1.00 0.00 O ATOM 0 H GLU A 60 -8.073 -8.847 11.723 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.499 -6.003 11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.430 -7.700 13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.810 -8.133 14.034 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.419 -5.788 14.811 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.030 -5.340 14.286 1.00 0.00 H new ATOM 905 N LEU A 61 -6.035 -5.337 11.731 1.00 0.00 N ATOM 906 CA LEU A 61 -4.663 -4.776 11.876 1.00 0.00 C ATOM 907 C LEU A 61 -4.754 -3.327 12.361 1.00 0.00 C ATOM 908 O LEU A 61 -5.630 -2.583 11.968 1.00 0.00 O ATOM 909 CB LEU A 61 -3.949 -4.827 10.524 1.00 0.00 C ATOM 910 CG LEU A 61 -4.022 -6.245 9.959 1.00 0.00 C ATOM 911 CD1 LEU A 61 -3.122 -6.350 8.727 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.557 -7.248 11.017 1.00 0.00 C ATOM 0 H LEU A 61 -6.592 -4.928 10.981 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.101 -5.363 12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.411 -4.124 9.831 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.908 -4.524 10.639 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.052 -6.468 9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.174 -7.361 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.456 -5.640 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.093 -6.124 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.611 -8.258 10.610 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.529 -7.026 11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.200 -7.176 11.894 1.00 0.00 H new ATOM 924 N SER A 62 -3.854 -2.923 13.216 1.00 0.00 N ATOM 925 CA SER A 62 -3.886 -1.526 13.733 1.00 0.00 C ATOM 926 C SER A 62 -3.356 -0.566 12.663 1.00 0.00 C ATOM 927 O SER A 62 -2.652 -0.963 11.755 1.00 0.00 O ATOM 928 CB SER A 62 -3.012 -1.426 14.983 1.00 0.00 C ATOM 929 OG SER A 62 -3.835 -1.152 16.110 1.00 0.00 O ATOM 0 H SER A 62 -3.097 -3.502 13.579 1.00 0.00 H new ATOM 0 HA SER A 62 -4.913 -1.257 13.982 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.466 -2.357 15.135 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.270 -0.637 14.860 1.00 0.00 H new ATOM 0 HG SER A 62 -3.278 -1.089 16.914 1.00 0.00 H new ATOM 935 N PRO A 63 -3.695 0.690 12.778 1.00 0.00 N ATOM 936 CA PRO A 63 -3.254 1.741 11.814 1.00 0.00 C ATOM 937 C PRO A 63 -1.726 1.869 11.756 1.00 0.00 C ATOM 938 O PRO A 63 -1.169 2.343 10.786 1.00 0.00 O ATOM 939 CB PRO A 63 -3.875 3.036 12.352 1.00 0.00 C ATOM 940 CG PRO A 63 -4.273 2.747 13.762 1.00 0.00 C ATOM 941 CD PRO A 63 -4.536 1.247 13.844 1.00 0.00 C ATOM 0 HA PRO A 63 -3.567 1.504 10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.161 3.858 12.309 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.738 3.332 11.756 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.484 3.040 14.455 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.164 3.312 14.036 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.264 0.845 14.820 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.589 1.015 13.686 1.00 0.00 H new ATOM 949 N GLU A 64 -1.050 1.453 12.791 1.00 0.00 N ATOM 950 CA GLU A 64 0.437 1.552 12.805 1.00 0.00 C ATOM 951 C GLU A 64 1.030 0.696 11.683 1.00 0.00 C ATOM 952 O GLU A 64 2.071 1.006 11.138 1.00 0.00 O ATOM 953 CB GLU A 64 0.966 1.061 14.151 1.00 0.00 C ATOM 954 CG GLU A 64 0.480 1.987 15.260 1.00 0.00 C ATOM 955 CD GLU A 64 1.068 1.536 16.599 1.00 0.00 C ATOM 956 OE1 GLU A 64 0.914 2.265 17.565 1.00 0.00 O ATOM 957 OE2 GLU A 64 1.660 0.471 16.634 1.00 0.00 O ATOM 0 H GLU A 64 -1.464 1.048 13.630 1.00 0.00 H new ATOM 0 HA GLU A 64 0.727 2.592 12.652 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.625 0.043 14.338 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.056 1.034 14.137 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.778 3.014 15.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.609 1.975 15.307 1.00 0.00 H new ATOM 964 N HIS A 65 0.381 -0.381 11.337 1.00 0.00 N ATOM 965 CA HIS A 65 0.916 -1.258 10.255 1.00 0.00 C ATOM 966 C HIS A 65 0.848 -0.530 8.911 1.00 0.00 C ATOM 967 O HIS A 65 1.614 -0.804 8.009 1.00 0.00 O ATOM 968 CB HIS A 65 0.084 -2.538 10.177 1.00 0.00 C ATOM 969 CG HIS A 65 0.449 -3.292 8.928 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.332 -3.242 7.781 1.00 0.00 N ATOM 971 CD2 HIS A 65 1.511 -4.107 8.622 1.00 0.00 C ATOM 972 CE1 HIS A 65 0.266 -4.005 6.848 1.00 0.00 C ATOM 973 NE2 HIS A 65 1.391 -4.553 7.312 1.00 0.00 N ATOM 0 H HIS A 65 -0.496 -0.692 11.755 1.00 0.00 H new ATOM 0 HA HIS A 65 1.954 -1.506 10.479 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.265 -3.157 11.056 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.979 -2.295 10.172 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.202 -2.721 7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.315 -4.362 9.296 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.116 -4.155 5.849 1.00 0.00 H new ATOM 982 N PHE A 66 -0.064 0.389 8.766 1.00 0.00 N ATOM 983 CA PHE A 66 -0.178 1.123 7.474 1.00 0.00 C ATOM 984 C PHE A 66 0.567 2.454 7.582 1.00 0.00 C ATOM 985 O PHE A 66 0.569 3.249 6.666 1.00 0.00 O ATOM 986 CB PHE A 66 -1.654 1.384 7.178 1.00 0.00 C ATOM 987 CG PHE A 66 -2.420 0.089 7.293 1.00 0.00 C ATOM 988 CD1 PHE A 66 -2.770 -0.630 6.143 1.00 0.00 C ATOM 989 CD2 PHE A 66 -2.773 -0.398 8.556 1.00 0.00 C ATOM 990 CE1 PHE A 66 -3.476 -1.834 6.260 1.00 0.00 C ATOM 991 CE2 PHE A 66 -3.478 -1.600 8.672 1.00 0.00 C ATOM 992 CZ PHE A 66 -3.830 -2.319 7.526 1.00 0.00 C ATOM 0 H PHE A 66 -0.734 0.664 9.484 1.00 0.00 H new ATOM 0 HA PHE A 66 0.257 0.530 6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.053 2.119 7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.768 1.800 6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.496 -0.257 5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.501 0.155 9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.748 -2.389 5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.751 -1.973 9.648 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.374 -3.247 7.616 1.00 0.00 H new ATOM 1002 N ARG A 67 1.195 2.700 8.699 1.00 0.00 N ATOM 1003 CA ARG A 67 1.939 3.979 8.882 1.00 0.00 C ATOM 1004 C ARG A 67 2.977 4.159 7.773 1.00 0.00 C ATOM 1005 O ARG A 67 3.187 5.251 7.284 1.00 0.00 O ATOM 1006 CB ARG A 67 2.652 3.955 10.234 1.00 0.00 C ATOM 1007 CG ARG A 67 3.510 5.207 10.386 1.00 0.00 C ATOM 1008 CD ARG A 67 4.078 5.267 11.803 1.00 0.00 C ATOM 1009 NE ARG A 67 5.105 4.202 11.975 1.00 0.00 N ATOM 1010 CZ ARG A 67 5.670 4.020 13.137 1.00 0.00 C ATOM 1011 NH1 ARG A 67 6.570 3.088 13.286 1.00 0.00 N ATOM 1012 NH2 ARG A 67 5.335 4.772 14.149 1.00 0.00 N ATOM 0 H ARG A 67 1.225 2.066 9.498 1.00 0.00 H new ATOM 0 HA ARG A 67 1.231 4.807 8.842 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.921 3.904 11.041 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.275 3.064 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.321 5.195 9.658 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.913 6.096 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.520 6.246 11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.278 5.136 12.532 1.00 0.00 H new ATOM 0 HE ARG A 67 5.367 3.614 11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.832 2.501 12.494 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.012 2.946 14.194 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.632 5.502 14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.776 4.630 15.058 1.00 0.00 H new ATOM 1026 N SER A 68 3.639 3.104 7.389 1.00 0.00 N ATOM 1027 CA SER A 68 4.681 3.219 6.324 1.00 0.00 C ATOM 1028 C SER A 68 4.320 2.339 5.125 1.00 0.00 C ATOM 1029 O SER A 68 3.704 1.301 5.261 1.00 0.00 O ATOM 1030 CB SER A 68 6.030 2.772 6.890 1.00 0.00 C ATOM 1031 OG SER A 68 5.974 1.385 7.196 1.00 0.00 O ATOM 0 H SER A 68 3.506 2.165 7.765 1.00 0.00 H new ATOM 0 HA SER A 68 4.737 4.257 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.823 2.965 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.269 3.345 7.786 1.00 0.00 H new ATOM 0 HG SER A 68 5.426 1.249 7.997 1.00 0.00 H new ATOM 1037 N ILE A 69 4.710 2.756 3.951 1.00 0.00 N ATOM 1038 CA ILE A 69 4.414 1.970 2.726 1.00 0.00 C ATOM 1039 C ILE A 69 5.166 0.638 2.765 1.00 0.00 C ATOM 1040 O ILE A 69 4.671 -0.379 2.321 1.00 0.00 O ATOM 1041 CB ILE A 69 4.869 2.781 1.514 1.00 0.00 C ATOM 1042 CG1 ILE A 69 4.141 4.120 1.491 1.00 0.00 C ATOM 1043 CG2 ILE A 69 4.540 2.024 0.240 1.00 0.00 C ATOM 1044 CD1 ILE A 69 4.774 5.033 0.440 1.00 0.00 C ATOM 0 H ILE A 69 5.228 3.620 3.790 1.00 0.00 H new ATOM 0 HA ILE A 69 3.345 1.765 2.665 1.00 0.00 H new ATOM 0 HB ILE A 69 5.945 2.945 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.086 3.967 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.192 4.590 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.866 2.605 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.054 1.063 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.464 1.860 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.251 5.989 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.823 5.197 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.699 4.565 -0.541 1.00 0.00 H new ATOM 1056 N ARG A 70 6.365 0.636 3.280 1.00 0.00 N ATOM 1057 CA ARG A 70 7.154 -0.629 3.332 1.00 0.00 C ATOM 1058 C ARG A 70 6.428 -1.671 4.187 1.00 0.00 C ATOM 1059 O ARG A 70 6.413 -2.842 3.866 1.00 0.00 O ATOM 1060 CB ARG A 70 8.529 -0.343 3.938 1.00 0.00 C ATOM 1061 CG ARG A 70 9.307 0.603 3.020 1.00 0.00 C ATOM 1062 CD ARG A 70 10.724 0.792 3.562 1.00 0.00 C ATOM 1063 NE ARG A 70 10.658 1.306 4.959 1.00 0.00 N ATOM 1064 CZ ARG A 70 11.753 1.645 5.583 1.00 0.00 C ATOM 1065 NH1 ARG A 70 11.694 2.095 6.806 1.00 0.00 N ATOM 1066 NH2 ARG A 70 12.906 1.532 4.983 1.00 0.00 N ATOM 0 H ARG A 70 6.833 1.455 3.667 1.00 0.00 H new ATOM 0 HA ARG A 70 7.269 -1.019 2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.417 0.103 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.081 -1.274 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.344 0.196 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.799 1.565 2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.264 -0.155 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.275 1.490 2.932 1.00 0.00 H new ATOM 0 HE ARG A 70 9.756 1.393 5.428 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.792 2.182 7.275 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.550 2.360 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.951 1.179 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.762 1.797 5.470 1.00 0.00 H new ATOM 1080 N SER A 71 5.827 -1.263 5.272 1.00 0.00 N ATOM 1081 CA SER A 71 5.113 -2.244 6.133 1.00 0.00 C ATOM 1082 C SER A 71 3.993 -2.908 5.331 1.00 0.00 C ATOM 1083 O SER A 71 3.807 -4.108 5.379 1.00 0.00 O ATOM 1084 CB SER A 71 4.518 -1.514 7.335 1.00 0.00 C ATOM 1085 OG SER A 71 5.543 -0.781 7.994 1.00 0.00 O ATOM 0 H SER A 71 5.800 -0.297 5.597 1.00 0.00 H new ATOM 0 HA SER A 71 5.811 -3.008 6.476 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.725 -0.841 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.067 -2.229 8.023 1.00 0.00 H new ATOM 0 HG SER A 71 5.955 -0.154 7.363 1.00 0.00 H new ATOM 1091 N ILE A 72 3.251 -2.136 4.587 1.00 0.00 N ATOM 1092 CA ILE A 72 2.150 -2.711 3.775 1.00 0.00 C ATOM 1093 C ILE A 72 2.742 -3.590 2.675 1.00 0.00 C ATOM 1094 O ILE A 72 2.223 -4.640 2.354 1.00 0.00 O ATOM 1095 CB ILE A 72 1.362 -1.571 3.137 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.821 -0.648 4.230 1.00 0.00 C ATOM 1097 CG2 ILE A 72 0.199 -2.147 2.339 1.00 0.00 C ATOM 1098 CD1 ILE A 72 0.182 0.582 3.582 1.00 0.00 C ATOM 0 H ILE A 72 3.363 -1.125 4.508 1.00 0.00 H new ATOM 0 HA ILE A 72 1.494 -3.309 4.407 1.00 0.00 H new ATOM 0 HB ILE A 72 2.015 -1.003 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.086 -1.176 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.627 -0.344 4.898 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.366 -1.335 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.583 -2.805 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.453 -2.714 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.205 1.242 4.358 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.930 1.113 2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.635 0.268 2.932 1.00 0.00 H new ATOM 1110 N ASP A 73 3.824 -3.157 2.090 1.00 0.00 N ATOM 1111 CA ASP A 73 4.455 -3.951 1.003 1.00 0.00 C ATOM 1112 C ASP A 73 4.799 -5.348 1.521 1.00 0.00 C ATOM 1113 O ASP A 73 4.663 -6.327 0.819 1.00 0.00 O ATOM 1114 CB ASP A 73 5.732 -3.247 0.539 1.00 0.00 C ATOM 1115 CG ASP A 73 6.154 -3.799 -0.823 1.00 0.00 C ATOM 1116 OD1 ASP A 73 7.242 -3.466 -1.264 1.00 0.00 O ATOM 1117 OD2 ASP A 73 5.381 -4.542 -1.404 1.00 0.00 O ATOM 0 H ASP A 73 4.299 -2.284 2.320 1.00 0.00 H new ATOM 0 HA ASP A 73 3.762 -4.039 0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.563 -2.172 0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.529 -3.399 1.267 1.00 0.00 H new ATOM 1122 N ALA A 74 5.243 -5.455 2.743 1.00 0.00 N ATOM 1123 CA ALA A 74 5.592 -6.796 3.285 1.00 0.00 C ATOM 1124 C ALA A 74 4.342 -7.671 3.319 1.00 0.00 C ATOM 1125 O ALA A 74 4.360 -8.812 2.901 1.00 0.00 O ATOM 1126 CB ALA A 74 6.152 -6.646 4.701 1.00 0.00 C ATOM 0 H ALA A 74 5.378 -4.675 3.386 1.00 0.00 H new ATOM 0 HA ALA A 74 6.343 -7.262 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.407 -7.629 5.097 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.045 -6.022 4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.403 -6.180 5.341 1.00 0.00 H new ATOM 1132 N PHE A 75 3.251 -7.147 3.802 1.00 0.00 N ATOM 1133 CA PHE A 75 2.002 -7.958 3.842 1.00 0.00 C ATOM 1134 C PHE A 75 1.537 -8.220 2.410 1.00 0.00 C ATOM 1135 O PHE A 75 1.217 -9.332 2.036 1.00 0.00 O ATOM 1136 CB PHE A 75 0.916 -7.199 4.599 1.00 0.00 C ATOM 1137 CG PHE A 75 -0.284 -8.097 4.785 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -0.402 -8.876 5.942 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -1.274 -8.155 3.798 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -1.513 -9.712 6.112 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -2.384 -8.990 3.967 1.00 0.00 C ATOM 1142 CZ PHE A 75 -2.504 -9.768 5.124 1.00 0.00 C ATOM 0 H PHE A 75 3.169 -6.199 4.169 1.00 0.00 H new ATOM 0 HA PHE A 75 2.195 -8.903 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.293 -6.872 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.632 -6.302 4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.363 -8.832 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.181 -7.555 2.905 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.605 -10.313 7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.148 -9.034 3.205 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.361 -10.412 5.255 1.00 0.00 H new ATOM 1152 N VAL A 76 1.506 -7.195 1.602 1.00 0.00 N ATOM 1153 CA VAL A 76 1.072 -7.359 0.195 1.00 0.00 C ATOM 1154 C VAL A 76 2.051 -8.290 -0.525 1.00 0.00 C ATOM 1155 O VAL A 76 1.660 -9.130 -1.310 1.00 0.00 O ATOM 1156 CB VAL A 76 1.067 -5.989 -0.480 1.00 0.00 C ATOM 1157 CG1 VAL A 76 0.486 -6.113 -1.883 1.00 0.00 C ATOM 1158 CG2 VAL A 76 0.215 -5.021 0.341 1.00 0.00 C ATOM 0 H VAL A 76 1.766 -6.244 1.864 1.00 0.00 H new ATOM 0 HA VAL A 76 0.071 -7.789 0.155 1.00 0.00 H new ATOM 0 HB VAL A 76 2.088 -5.612 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.483 -5.135 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.093 -6.803 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.535 -6.490 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.211 -4.043 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.805 -5.399 0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.632 -4.930 1.344 1.00 0.00 H new ATOM 1168 N VAL A 77 3.323 -8.150 -0.258 1.00 0.00 N ATOM 1169 CA VAL A 77 4.320 -9.028 -0.919 1.00 0.00 C ATOM 1170 C VAL A 77 3.952 -10.481 -0.650 1.00 0.00 C ATOM 1171 O VAL A 77 3.999 -11.318 -1.530 1.00 0.00 O ATOM 1172 CB VAL A 77 5.702 -8.725 -0.348 1.00 0.00 C ATOM 1173 CG1 VAL A 77 6.666 -9.836 -0.745 1.00 0.00 C ATOM 1174 CG2 VAL A 77 6.201 -7.395 -0.913 1.00 0.00 C ATOM 0 H VAL A 77 3.710 -7.464 0.390 1.00 0.00 H new ATOM 0 HA VAL A 77 4.328 -8.851 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 77 5.644 -8.662 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.655 -9.622 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.308 -10.787 -0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.726 -9.895 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.188 -7.175 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.261 -7.461 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.509 -6.600 -0.636 1.00 0.00 H new ATOM 1184 N GLY A 78 3.567 -10.789 0.555 1.00 0.00 N ATOM 1185 CA GLY A 78 3.176 -12.189 0.866 1.00 0.00 C ATOM 1186 C GLY A 78 2.032 -12.599 -0.063 1.00 0.00 C ATOM 1187 O GLY A 78 1.917 -13.743 -0.460 1.00 0.00 O ATOM 0 H GLY A 78 3.506 -10.135 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.027 -12.857 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.865 -12.272 1.907 1.00 0.00 H new ATOM 1191 N ALA A 79 1.181 -11.670 -0.411 1.00 0.00 N ATOM 1192 CA ALA A 79 0.038 -11.998 -1.310 1.00 0.00 C ATOM 1193 C ALA A 79 0.549 -12.338 -2.713 1.00 0.00 C ATOM 1194 O ALA A 79 0.153 -13.324 -3.303 1.00 0.00 O ATOM 1195 CB ALA A 79 -0.904 -10.796 -1.392 1.00 0.00 C ATOM 0 H ALA A 79 1.229 -10.697 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.494 -12.860 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.741 -11.034 -2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.280 -10.560 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.364 -9.937 -1.789 1.00 0.00 H new ATOM 1201 N THR A 80 1.424 -11.534 -3.256 1.00 0.00 N ATOM 1202 CA THR A 80 1.951 -11.827 -4.626 1.00 0.00 C ATOM 1203 C THR A 80 2.818 -10.672 -5.150 1.00 0.00 C ATOM 1204 O THR A 80 3.299 -10.713 -6.266 1.00 0.00 O ATOM 1205 CB THR A 80 0.779 -12.049 -5.589 1.00 0.00 C ATOM 1206 OG1 THR A 80 1.187 -11.716 -6.908 1.00 0.00 O ATOM 1207 CG2 THR A 80 -0.399 -11.162 -5.180 1.00 0.00 C ATOM 0 H THR A 80 1.796 -10.692 -2.816 1.00 0.00 H new ATOM 0 HA THR A 80 2.568 -12.724 -4.566 1.00 0.00 H new ATOM 0 HB THR A 80 0.472 -13.094 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.150 -11.874 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.230 -11.322 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.711 -11.416 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.096 -10.116 -5.215 1.00 0.00 H new ATOM 1215 N THR A 81 3.032 -9.649 -4.371 1.00 0.00 N ATOM 1216 CA THR A 81 3.875 -8.517 -4.847 1.00 0.00 C ATOM 1217 C THR A 81 5.348 -8.959 -4.812 1.00 0.00 C ATOM 1218 O THR A 81 5.745 -9.690 -3.926 1.00 0.00 O ATOM 1219 CB THR A 81 3.671 -7.309 -3.919 1.00 0.00 C ATOM 1220 OG1 THR A 81 2.673 -7.623 -2.959 1.00 0.00 O ATOM 1221 CG2 THR A 81 3.233 -6.065 -4.708 1.00 0.00 C ATOM 0 H THR A 81 2.660 -9.548 -3.427 1.00 0.00 H new ATOM 0 HA THR A 81 3.597 -8.236 -5.863 1.00 0.00 H new ATOM 0 HB THR A 81 4.620 -7.090 -3.430 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.813 -7.752 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.097 -5.228 -4.022 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.998 -5.812 -5.442 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.293 -6.271 -5.220 1.00 0.00 H new ATOM 1229 N PRO A 82 6.152 -8.547 -5.771 1.00 0.00 N ATOM 1230 CA PRO A 82 7.583 -8.934 -5.849 1.00 0.00 C ATOM 1231 C PRO A 82 8.188 -9.270 -4.469 1.00 0.00 C ATOM 1232 O PRO A 82 8.102 -8.481 -3.549 1.00 0.00 O ATOM 1233 CB PRO A 82 8.222 -7.679 -6.434 1.00 0.00 C ATOM 1234 CG PRO A 82 7.162 -7.047 -7.293 1.00 0.00 C ATOM 1235 CD PRO A 82 5.812 -7.659 -6.890 1.00 0.00 C ATOM 0 HA PRO A 82 7.743 -9.838 -6.437 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.544 -6.999 -5.645 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.106 -7.927 -7.021 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.150 -5.966 -7.153 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.365 -7.229 -8.348 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.098 -6.892 -6.590 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.360 -8.210 -7.715 1.00 0.00 H new ATOM 1243 N PRO A 83 8.785 -10.437 -4.316 1.00 0.00 N ATOM 1244 CA PRO A 83 9.391 -10.867 -3.019 1.00 0.00 C ATOM 1245 C PRO A 83 10.736 -10.195 -2.726 1.00 0.00 C ATOM 1246 O PRO A 83 11.481 -9.849 -3.622 1.00 0.00 O ATOM 1247 CB PRO A 83 9.580 -12.373 -3.191 1.00 0.00 C ATOM 1248 CG PRO A 83 9.741 -12.585 -4.658 1.00 0.00 C ATOM 1249 CD PRO A 83 8.954 -11.473 -5.354 1.00 0.00 C ATOM 0 HA PRO A 83 8.755 -10.590 -2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.455 -12.724 -2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.722 -12.924 -2.806 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.793 -12.549 -4.941 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.366 -13.566 -4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 83 9.494 -11.085 -6.218 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.991 -11.834 -5.715 1.00 0.00 H new ATOM 1257 N VAL A 84 11.052 -10.018 -1.469 1.00 0.00 N ATOM 1258 CA VAL A 84 12.348 -9.382 -1.098 1.00 0.00 C ATOM 1259 C VAL A 84 13.014 -10.207 0.006 1.00 0.00 C ATOM 1260 O VAL A 84 12.355 -10.723 0.888 1.00 0.00 O ATOM 1261 CB VAL A 84 12.101 -7.962 -0.591 1.00 0.00 C ATOM 1262 CG1 VAL A 84 11.307 -8.014 0.715 1.00 0.00 C ATOM 1263 CG2 VAL A 84 13.443 -7.267 -0.345 1.00 0.00 C ATOM 0 H VAL A 84 10.464 -10.289 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 84 12.997 -9.343 -1.973 1.00 0.00 H new ATOM 0 HB VAL A 84 11.534 -7.405 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.132 -7.000 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.351 -8.507 0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 84 11.872 -8.572 1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 84 13.267 -6.254 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 84 14.010 -7.825 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 84 14.008 -7.227 -1.276 1.00 0.00 H new ATOM 1273 N GLU A 85 14.310 -10.343 -0.036 1.00 0.00 N ATOM 1274 CA GLU A 85 15.007 -11.143 1.012 1.00 0.00 C ATOM 1275 C GLU A 85 14.721 -10.545 2.392 1.00 0.00 C ATOM 1276 O GLU A 85 14.585 -11.255 3.369 1.00 0.00 O ATOM 1277 CB GLU A 85 16.514 -11.122 0.751 1.00 0.00 C ATOM 1278 CG GLU A 85 16.814 -11.820 -0.576 1.00 0.00 C ATOM 1279 CD GLU A 85 18.326 -11.859 -0.802 1.00 0.00 C ATOM 1280 OE1 GLU A 85 18.750 -12.526 -1.731 1.00 0.00 O ATOM 1281 OE2 GLU A 85 19.035 -11.220 -0.042 1.00 0.00 O ATOM 0 H GLU A 85 14.916 -9.936 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 85 14.645 -12.171 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.874 -10.094 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.041 -11.622 1.564 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.411 -12.833 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.327 -11.291 -1.395 1.00 0.00 H new ATOM 1288 N ALA A 86 14.628 -9.246 2.485 1.00 0.00 N ATOM 1289 CA ALA A 86 14.351 -8.614 3.807 1.00 0.00 C ATOM 1290 C ALA A 86 13.644 -7.272 3.600 1.00 0.00 C ATOM 1291 O ALA A 86 13.799 -6.629 2.580 1.00 0.00 O ATOM 1292 CB ALA A 86 15.670 -8.386 4.549 1.00 0.00 C ATOM 0 H ALA A 86 14.731 -8.597 1.705 1.00 0.00 H new ATOM 0 HA ALA A 86 13.710 -9.272 4.394 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.469 -7.924 5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.172 -9.342 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 86 16.310 -7.730 3.960 1.00 0.00 H new ATOM 1298 N LYS A 87 12.873 -6.843 4.562 1.00 0.00 N ATOM 1299 CA LYS A 87 12.162 -5.540 4.421 1.00 0.00 C ATOM 1300 C LYS A 87 13.185 -4.424 4.207 1.00 0.00 C ATOM 1301 O LYS A 87 12.967 -3.507 3.440 1.00 0.00 O ATOM 1302 CB LYS A 87 11.358 -5.258 5.694 1.00 0.00 C ATOM 1303 CG LYS A 87 10.537 -3.979 5.510 1.00 0.00 C ATOM 1304 CD LYS A 87 9.788 -3.662 6.807 1.00 0.00 C ATOM 1305 CE LYS A 87 8.863 -2.463 6.586 1.00 0.00 C ATOM 1306 NZ LYS A 87 8.156 -2.141 7.859 1.00 0.00 N ATOM 0 H LYS A 87 12.705 -7.337 5.438 1.00 0.00 H new ATOM 0 HA LYS A 87 11.487 -5.584 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.698 -6.097 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.031 -5.151 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.192 -3.149 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.830 -4.103 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.208 -4.528 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.498 -3.444 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.440 -1.602 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.140 -2.687 5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.255 -1.668 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.970 -3.019 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.750 -1.512 8.436 1.00 0.00 H new ATOM 1320 N LEU A 88 14.302 -4.495 4.879 1.00 0.00 N ATOM 1321 CA LEU A 88 15.340 -3.439 4.715 1.00 0.00 C ATOM 1322 C LEU A 88 16.388 -3.909 3.703 1.00 0.00 C ATOM 1323 O LEU A 88 16.750 -5.068 3.664 1.00 0.00 O ATOM 1324 CB LEU A 88 16.016 -3.174 6.063 1.00 0.00 C ATOM 1325 CG LEU A 88 14.955 -2.830 7.110 1.00 0.00 C ATOM 1326 CD1 LEU A 88 15.639 -2.462 8.428 1.00 0.00 C ATOM 1327 CD2 LEU A 88 14.122 -1.643 6.621 1.00 0.00 C ATOM 0 H LEU A 88 14.540 -5.239 5.535 1.00 0.00 H new ATOM 0 HA LEU A 88 14.873 -2.522 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.580 -4.052 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 88 16.728 -2.354 5.969 1.00 0.00 H new ATOM 0 HG LEU A 88 14.306 -3.692 7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 88 14.883 -2.217 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.234 -3.306 8.777 1.00 0.00 H new ATOM 0 HD13 LEU A 88 16.288 -1.600 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 88 13.366 -1.397 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 88 14.772 -0.782 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.634 -1.903 5.682 1.00 0.00 H new ATOM 1339 N GLN A 89 16.877 -3.019 2.886 1.00 0.00 N ATOM 1340 CA GLN A 89 17.900 -3.417 1.878 1.00 0.00 C ATOM 1341 C GLN A 89 18.928 -4.343 2.534 1.00 0.00 C ATOM 1342 O GLN A 89 19.517 -3.937 3.521 1.00 0.00 O ATOM 1343 CB GLN A 89 18.606 -2.168 1.345 1.00 0.00 C ATOM 1344 CG GLN A 89 17.598 -1.290 0.601 1.00 0.00 C ATOM 1345 CD GLN A 89 18.293 -0.018 0.112 1.00 0.00 C ATOM 1346 OE1 GLN A 89 19.370 0.313 0.566 1.00 0.00 O ATOM 1347 NE2 GLN A 89 17.717 0.714 -0.802 1.00 0.00 N ATOM 1348 OXT GLN A 89 19.109 -5.442 2.035 1.00 0.00 O ATOM 0 H GLN A 89 16.613 -2.034 2.872 1.00 0.00 H new ATOM 0 HA GLN A 89 17.414 -3.938 1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 89 19.052 -1.610 2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 89 19.418 -2.454 0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.178 -1.836 -0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 89 16.768 -1.034 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.813 0.436 -1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 89 18.171 1.564 -1.135 1.00 0.00 H new TER 1357 GLN A 89 HETATM 1358 O8 7V9 A 101 -8.646 -4.940 7.065 1.00 0.00 O HETATM 1359 P 7V9 A 101 -11.649 3.470 8.417 1.00 0.00 P HETATM 1360 C4 7V9 A 101 -8.573 -1.029 10.504 1.00 0.00 C HETATM 1361 C2 7V9 A 101 -9.153 1.395 10.326 1.00 0.00 C HETATM 1362 O1P 7V9 A 101 -11.808 2.317 7.502 1.00 0.00 O HETATM 1363 O2P 7V9 A 101 -12.834 4.259 8.821 1.00 0.00 O HETATM 1364 O3P 7V9 A 101 -10.907 2.958 9.751 1.00 0.00 O HETATM 1365 C1 7V9 A 101 -9.607 2.499 9.368 1.00 0.00 C HETATM 1366 CE1 7V9 A 101 -10.125 1.315 11.505 1.00 0.00 C HETATM 1367 CE2 7V9 A 101 -7.748 1.709 10.844 1.00 0.00 C HETATM 1368 C3 7V9 A 101 -9.136 0.056 9.588 1.00 0.00 C HETATM 1369 O3 7V9 A 101 -10.463 -0.289 9.212 1.00 0.00 O HETATM 1370 O4 7V9 A 101 -9.193 -1.420 11.473 1.00 0.00 O HETATM 1371 N5 7V9 A 101 -7.418 -1.549 10.184 1.00 0.00 N HETATM 1372 C6 7V9 A 101 -7.359 -2.904 9.568 1.00 0.00 C HETATM 1373 C7 7V9 A 101 -8.429 -3.019 8.481 1.00 0.00 C HETATM 1374 C8 7V9 A 101 -7.959 -3.998 7.403 1.00 0.00 C HETATM 1375 N9 7V9 A 101 -6.812 -3.756 6.828 1.00 0.00 N HETATM 1376 C10 7V9 A 101 -6.602 -4.131 5.401 1.00 0.00 C HETATM 1377 C11 7V9 A 101 -5.435 -5.116 5.300 1.00 0.00 C HETATM 1378 S12 7V9 A 101 -4.620 -4.920 3.696 1.00 0.00 S HETATM 1379 C13 7V9 A 101 -5.131 -6.506 2.990 1.00 0.00 C HETATM 1380 O13 7V9 A 101 -4.858 -7.542 3.562 1.00 0.00 O HETATM 1381 C14 7V9 A 101 -4.666 -6.278 1.689 1.00 0.00 C HETATM 1382 C15 7V9 A 101 -3.342 -5.874 1.479 1.00 0.00 C HETATM 1383 N16 7V9 A 101 -2.967 -5.369 0.293 1.00 0.00 N HETATM 1384 C17 7V9 A 101 -3.840 -5.236 -0.717 1.00 0.00 C HETATM 1385 C18 7V9 A 101 -5.176 -5.626 -0.557 1.00 0.00 C HETATM 1386 C19 7V9 A 101 -5.564 -6.250 0.626 1.00 0.00 C