USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 608 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 2 GLN : amide:sc= 1.01 K(o=2.2,f=0.34!) USER MOD Set 1.2: A 81 THR OG1 : rot 21:sc= 1.14 USER MOD Set 2.1: A 65 HIS : no HE2:sc= -2.93 K(o=-2.4,f=-4.5!) USER MOD Set 2.2: A 71 SER OG : rot -80:sc= 0.536 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.262 (180deg=-1.43!) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.0273 (180deg=-0.576) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -1.56! C(o=-3.3!,f=-1.6!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.877 F(o=-3.9!,f=-0.88) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0597 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.127 12.754 1.957 1.00 0.00 N ATOM 2 CA MET A 1 -1.230 12.578 1.368 1.00 0.00 C ATOM 3 C MET A 1 -2.244 12.360 2.491 1.00 0.00 C ATOM 4 O MET A 1 -2.152 12.956 3.547 1.00 0.00 O ATOM 5 CB MET A 1 -1.229 11.360 0.443 1.00 0.00 C ATOM 6 CG MET A 1 -0.117 11.505 -0.598 1.00 0.00 C ATOM 7 SD MET A 1 -0.337 13.054 -1.509 1.00 0.00 S ATOM 8 CE MET A 1 -1.944 12.663 -2.240 1.00 0.00 C ATOM 0 H1 MET A 1 0.706 13.344 1.326 1.00 0.00 H new ATOM 0 H2 MET A 1 0.045 13.216 2.885 1.00 0.00 H new ATOM 0 H3 MET A 1 0.579 11.824 2.072 1.00 0.00 H new ATOM 0 HA MET A 1 -1.499 13.468 0.799 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.080 10.450 1.024 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.195 11.267 -0.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.857 11.494 -0.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.137 10.660 -1.287 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.069 13.225 -3.165 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.996 11.596 -2.454 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.737 12.932 -1.542 1.00 0.00 H new ATOM 20 N GLN A 2 -3.210 11.509 2.275 1.00 0.00 N ATOM 21 CA GLN A 2 -4.228 11.250 3.332 1.00 0.00 C ATOM 22 C GLN A 2 -3.963 9.882 3.963 1.00 0.00 C ATOM 23 O GLN A 2 -3.785 8.898 3.271 1.00 0.00 O ATOM 24 CB GLN A 2 -5.623 11.256 2.704 1.00 0.00 C ATOM 25 CG GLN A 2 -5.891 12.621 2.070 1.00 0.00 C ATOM 26 CD GLN A 2 -7.285 12.626 1.439 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.878 11.584 1.239 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.836 13.764 1.112 1.00 0.00 N ATOM 0 H GLN A 2 -3.338 10.982 1.411 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.168 12.025 4.097 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.697 10.472 1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.376 11.041 3.462 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -5.819 13.405 2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.137 12.837 1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.338 14.638 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -8.764 13.778 0.689 1.00 0.00 H new ATOM 37 N HIS A 3 -3.939 9.810 5.267 1.00 0.00 N ATOM 38 CA HIS A 3 -3.687 8.503 5.938 1.00 0.00 C ATOM 39 C HIS A 3 -2.587 7.746 5.186 1.00 0.00 C ATOM 40 O HIS A 3 -2.573 6.532 5.136 1.00 0.00 O ATOM 41 CB HIS A 3 -4.979 7.678 5.940 1.00 0.00 C ATOM 42 CG HIS A 3 -5.704 7.887 7.241 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.055 7.019 8.245 1.00 0.00 N flip ATOM 44 CD2 HIS A 3 -6.166 9.135 7.639 1.00 0.00 C flip ATOM 45 CE1 HIS A 3 -6.720 7.713 9.247 1.00 0.00 C flip ATOM 46 NE2 HIS A 3 -6.762 8.982 8.836 1.00 0.00 N flip ATOM 0 H HIS A 3 -4.083 10.600 5.896 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.365 8.673 6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.614 7.975 5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.749 6.621 5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.065 10.059 7.089 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.119 7.310 10.166 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.192 9.742 9.364 1.00 0.00 H new ATOM 55 N ALA A 4 -1.667 8.458 4.594 1.00 0.00 N ATOM 56 CA ALA A 4 -0.573 7.783 3.841 1.00 0.00 C ATOM 57 C ALA A 4 0.219 6.875 4.783 1.00 0.00 C ATOM 58 O ALA A 4 0.618 5.786 4.420 1.00 0.00 O ATOM 59 CB ALA A 4 0.362 8.839 3.248 1.00 0.00 C ATOM 0 H ALA A 4 -1.626 9.477 4.599 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.004 7.183 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.163 8.347 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.200 9.485 2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.790 9.439 4.051 1.00 0.00 H new ATOM 65 N SER A 5 0.453 7.312 5.991 1.00 0.00 N ATOM 66 CA SER A 5 1.221 6.466 6.947 1.00 0.00 C ATOM 67 C SER A 5 0.428 5.198 7.266 1.00 0.00 C ATOM 68 O SER A 5 0.989 4.144 7.489 1.00 0.00 O ATOM 69 CB SER A 5 1.468 7.251 8.236 1.00 0.00 C ATOM 70 OG SER A 5 0.230 7.450 8.908 1.00 0.00 O ATOM 0 H SER A 5 0.147 8.214 6.355 1.00 0.00 H new ATOM 0 HA SER A 5 2.176 6.190 6.499 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.161 6.709 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.930 8.212 8.008 1.00 0.00 H new ATOM 0 HG SER A 5 0.384 7.951 9.736 1.00 0.00 H new ATOM 76 N VAL A 6 -0.873 5.288 7.285 1.00 0.00 N ATOM 77 CA VAL A 6 -1.697 4.084 7.585 1.00 0.00 C ATOM 78 C VAL A 6 -1.544 3.071 6.455 1.00 0.00 C ATOM 79 O VAL A 6 -1.485 1.882 6.679 1.00 0.00 O ATOM 80 CB VAL A 6 -3.165 4.484 7.715 1.00 0.00 C ATOM 81 CG1 VAL A 6 -4.028 3.227 7.848 1.00 0.00 C ATOM 82 CG2 VAL A 6 -3.347 5.363 8.955 1.00 0.00 C ATOM 0 H VAL A 6 -1.401 6.142 7.106 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.361 3.640 8.522 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.469 5.040 6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.076 3.513 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.899 2.602 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.724 2.669 8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.395 5.649 9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.042 4.808 9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.734 6.259 8.859 1.00 0.00 H new ATOM 92 N ILE A 7 -1.481 3.532 5.238 1.00 0.00 N ATOM 93 CA ILE A 7 -1.329 2.589 4.097 1.00 0.00 C ATOM 94 C ILE A 7 -0.018 1.816 4.249 1.00 0.00 C ATOM 95 O ILE A 7 0.010 0.604 4.168 1.00 0.00 O ATOM 96 CB ILE A 7 -1.321 3.376 2.788 1.00 0.00 C ATOM 97 CG1 ILE A 7 -2.658 4.109 2.638 1.00 0.00 C ATOM 98 CG2 ILE A 7 -1.128 2.414 1.614 1.00 0.00 C ATOM 99 CD1 ILE A 7 -2.606 5.029 1.418 1.00 0.00 C ATOM 0 H ILE A 7 -1.528 4.519 4.984 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.161 1.885 4.087 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.505 4.099 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.469 3.389 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.868 4.691 3.536 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.122 2.976 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.180 1.888 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.944 1.692 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.558 5.549 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.806 5.758 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.416 4.436 0.523 1.00 0.00 H new ATOM 111 N ALA A 8 1.065 2.503 4.481 1.00 0.00 N ATOM 112 CA ALA A 8 2.368 1.801 4.652 1.00 0.00 C ATOM 113 C ALA A 8 2.296 0.921 5.897 1.00 0.00 C ATOM 114 O ALA A 8 2.658 -0.238 5.876 1.00 0.00 O ATOM 115 CB ALA A 8 3.489 2.830 4.819 1.00 0.00 C ATOM 0 H ALA A 8 1.105 3.519 4.560 1.00 0.00 H new ATOM 0 HA ALA A 8 2.573 1.187 3.775 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.441 2.314 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.534 3.466 3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.291 3.444 5.698 1.00 0.00 H new ATOM 121 N GLN A 9 1.818 1.465 6.977 1.00 0.00 N ATOM 122 CA GLN A 9 1.707 0.670 8.231 1.00 0.00 C ATOM 123 C GLN A 9 0.735 -0.488 8.009 1.00 0.00 C ATOM 124 O GLN A 9 0.980 -1.608 8.405 1.00 0.00 O ATOM 125 CB GLN A 9 1.173 1.573 9.346 1.00 0.00 C ATOM 126 CG GLN A 9 1.124 0.796 10.663 1.00 0.00 C ATOM 127 CD GLN A 9 -0.239 1.005 11.322 1.00 0.00 C ATOM 128 OE1 GLN A 9 -0.345 1.673 12.331 1.00 0.00 O ATOM 129 NE2 GLN A 9 -1.296 0.459 10.785 1.00 0.00 N ATOM 0 H GLN A 9 1.497 2.431 7.047 1.00 0.00 H new ATOM 0 HA GLN A 9 2.685 0.277 8.509 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.812 2.450 9.454 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.177 1.934 9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.293 -0.265 10.479 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.918 1.135 11.328 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.206 -0.102 9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.212 0.593 11.213 1.00 0.00 H new ATOM 138 N PHE A 10 -0.369 -0.213 7.380 1.00 0.00 N ATOM 139 CA PHE A 10 -1.380 -1.275 7.121 1.00 0.00 C ATOM 140 C PHE A 10 -0.825 -2.281 6.112 1.00 0.00 C ATOM 141 O PHE A 10 -0.881 -3.478 6.314 1.00 0.00 O ATOM 142 CB PHE A 10 -2.642 -0.621 6.554 1.00 0.00 C ATOM 143 CG PHE A 10 -3.747 -1.642 6.443 1.00 0.00 C ATOM 144 CD1 PHE A 10 -4.544 -1.931 7.555 1.00 0.00 C ATOM 145 CD2 PHE A 10 -3.978 -2.293 5.226 1.00 0.00 C ATOM 146 CE1 PHE A 10 -5.575 -2.871 7.452 1.00 0.00 C ATOM 147 CE2 PHE A 10 -5.008 -3.234 5.122 1.00 0.00 C ATOM 148 CZ PHE A 10 -5.807 -3.523 6.235 1.00 0.00 C ATOM 0 H PHE A 10 -0.619 0.712 7.030 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.615 -1.798 8.048 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.957 0.200 7.199 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.431 -0.193 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.364 -1.428 8.494 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.362 -2.069 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.191 -3.093 8.310 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.187 -3.737 4.183 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.602 -4.249 6.155 1.00 0.00 H new ATOM 158 N VAL A 11 -0.296 -1.798 5.025 1.00 0.00 N ATOM 159 CA VAL A 11 0.260 -2.714 3.988 1.00 0.00 C ATOM 160 C VAL A 11 1.509 -3.415 4.527 1.00 0.00 C ATOM 161 O VAL A 11 1.684 -4.606 4.364 1.00 0.00 O ATOM 162 CB VAL A 11 0.634 -1.899 2.749 1.00 0.00 C ATOM 163 CG1 VAL A 11 1.237 -2.825 1.691 1.00 0.00 C ATOM 164 CG2 VAL A 11 -0.620 -1.226 2.188 1.00 0.00 C ATOM 0 H VAL A 11 -0.223 -0.804 4.807 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.488 -3.463 3.730 1.00 0.00 H new ATOM 0 HB VAL A 11 1.365 -1.137 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.503 -2.244 0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.130 -3.304 2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.508 -3.588 1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.356 -0.644 1.305 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.351 -1.988 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.047 -0.566 2.943 1.00 0.00 H new ATOM 174 N VAL A 12 2.379 -2.683 5.166 1.00 0.00 N ATOM 175 CA VAL A 12 3.619 -3.300 5.714 1.00 0.00 C ATOM 176 C VAL A 12 3.247 -4.318 6.794 1.00 0.00 C ATOM 177 O VAL A 12 3.888 -5.339 6.945 1.00 0.00 O ATOM 178 CB VAL A 12 4.512 -2.208 6.305 1.00 0.00 C ATOM 179 CG1 VAL A 12 5.773 -2.836 6.904 1.00 0.00 C ATOM 180 CG2 VAL A 12 4.913 -1.226 5.202 1.00 0.00 C ATOM 0 H VAL A 12 2.284 -1.681 5.333 1.00 0.00 H new ATOM 0 HA VAL A 12 4.160 -3.809 4.917 1.00 0.00 H new ATOM 0 HB VAL A 12 3.964 -1.681 7.086 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.405 -2.053 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.492 -3.536 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.321 -3.366 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.549 -0.447 5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.457 -1.758 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.018 -0.773 4.776 1.00 0.00 H new ATOM 190 N GLU A 13 2.218 -4.047 7.549 1.00 0.00 N ATOM 191 CA GLU A 13 1.808 -4.997 8.622 1.00 0.00 C ATOM 192 C GLU A 13 1.556 -6.376 8.013 1.00 0.00 C ATOM 193 O GLU A 13 1.769 -7.393 8.642 1.00 0.00 O ATOM 194 CB GLU A 13 0.528 -4.496 9.287 1.00 0.00 C ATOM 195 CG GLU A 13 0.163 -5.415 10.451 1.00 0.00 C ATOM 196 CD GLU A 13 -1.173 -4.973 11.053 1.00 0.00 C ATOM 197 OE1 GLU A 13 -1.601 -5.591 12.014 1.00 0.00 O ATOM 198 OE2 GLU A 13 -1.745 -4.025 10.542 1.00 0.00 O ATOM 0 H GLU A 13 1.643 -3.208 7.469 1.00 0.00 H new ATOM 0 HA GLU A 13 2.601 -5.066 9.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.667 -3.476 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.285 -4.471 8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.095 -6.447 10.106 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.944 -5.384 11.211 1.00 0.00 H new ATOM 205 N GLU A 14 1.099 -6.418 6.793 1.00 0.00 N ATOM 206 CA GLU A 14 0.830 -7.729 6.144 1.00 0.00 C ATOM 207 C GLU A 14 2.144 -8.490 5.949 1.00 0.00 C ATOM 208 O GLU A 14 2.182 -9.703 6.005 1.00 0.00 O ATOM 209 CB GLU A 14 0.167 -7.495 4.785 1.00 0.00 C ATOM 210 CG GLU A 14 -0.232 -8.839 4.177 1.00 0.00 C ATOM 211 CD GLU A 14 -0.797 -8.617 2.773 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.200 -9.590 2.157 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.814 -7.478 2.336 1.00 0.00 O ATOM 0 H GLU A 14 0.900 -5.600 6.217 1.00 0.00 H new ATOM 0 HA GLU A 14 0.167 -8.317 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.712 -6.861 4.901 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.853 -6.971 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.633 -9.501 4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.975 -9.328 4.806 1.00 0.00 H new ATOM 220 N PHE A 15 3.221 -7.790 5.721 1.00 0.00 N ATOM 221 CA PHE A 15 4.529 -8.480 5.521 1.00 0.00 C ATOM 222 C PHE A 15 5.642 -7.685 6.211 1.00 0.00 C ATOM 223 O PHE A 15 6.686 -7.440 5.643 1.00 0.00 O ATOM 224 CB PHE A 15 4.824 -8.586 4.021 1.00 0.00 C ATOM 225 CG PHE A 15 5.076 -7.209 3.450 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.387 -6.782 3.201 1.00 0.00 C ATOM 227 CD2 PHE A 15 3.999 -6.360 3.173 1.00 0.00 C ATOM 228 CE1 PHE A 15 6.619 -5.506 2.674 1.00 0.00 C ATOM 229 CE2 PHE A 15 4.232 -5.084 2.646 1.00 0.00 C ATOM 230 CZ PHE A 15 5.541 -4.657 2.397 1.00 0.00 C ATOM 0 H PHE A 15 3.253 -6.772 5.664 1.00 0.00 H new ATOM 0 HA PHE A 15 4.482 -9.480 5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.693 -9.223 3.856 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.984 -9.054 3.508 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.218 -7.437 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.988 -6.689 3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.629 -5.177 2.481 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.401 -4.429 2.431 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.720 -3.672 1.991 1.00 0.00 H new ATOM 240 N LEU A 16 5.428 -7.275 7.432 1.00 0.00 N ATOM 241 CA LEU A 16 6.475 -6.494 8.145 1.00 0.00 C ATOM 242 C LEU A 16 7.548 -7.437 8.706 1.00 0.00 C ATOM 243 O LEU A 16 7.237 -8.460 9.282 1.00 0.00 O ATOM 244 CB LEU A 16 5.830 -5.678 9.284 1.00 0.00 C ATOM 245 CG LEU A 16 5.919 -6.400 10.642 1.00 0.00 C ATOM 246 CD1 LEU A 16 5.263 -5.524 11.710 1.00 0.00 C ATOM 247 CD2 LEU A 16 5.181 -7.742 10.586 1.00 0.00 C ATOM 0 H LEU A 16 4.575 -7.447 7.964 1.00 0.00 H new ATOM 0 HA LEU A 16 6.950 -5.808 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.322 -4.708 9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.784 -5.487 9.044 1.00 0.00 H new ATOM 0 HG LEU A 16 6.967 -6.580 10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.320 -6.025 12.677 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.783 -4.568 11.766 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.218 -5.354 11.450 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.254 -8.238 11.554 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.132 -7.571 10.345 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.631 -8.373 9.820 1.00 0.00 H new ATOM 259 N PRO A 17 8.806 -7.092 8.563 1.00 0.00 N ATOM 260 CA PRO A 17 9.920 -7.920 9.098 1.00 0.00 C ATOM 261 C PRO A 17 10.035 -7.745 10.615 1.00 0.00 C ATOM 262 O PRO A 17 9.063 -7.456 11.285 1.00 0.00 O ATOM 263 CB PRO A 17 11.153 -7.360 8.382 1.00 0.00 C ATOM 264 CG PRO A 17 10.820 -5.934 8.106 1.00 0.00 C ATOM 265 CD PRO A 17 9.312 -5.883 7.882 1.00 0.00 C ATOM 0 HA PRO A 17 9.785 -8.988 8.929 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.044 -7.445 9.004 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.356 -7.904 7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.111 -5.298 8.942 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.356 -5.572 7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.877 -4.977 8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.066 -5.891 6.820 1.00 0.00 H new ATOM 273 N ASP A 18 11.203 -7.899 11.165 1.00 0.00 N ATOM 274 CA ASP A 18 11.354 -7.718 12.631 1.00 0.00 C ATOM 275 C ASP A 18 11.358 -6.220 12.942 1.00 0.00 C ATOM 276 O ASP A 18 11.649 -5.803 14.045 1.00 0.00 O ATOM 277 CB ASP A 18 12.672 -8.341 13.082 1.00 0.00 C ATOM 278 CG ASP A 18 12.604 -9.861 12.917 1.00 0.00 C ATOM 279 OD1 ASP A 18 11.516 -10.365 12.696 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.643 -10.494 13.014 1.00 0.00 O ATOM 0 H ASP A 18 12.058 -8.142 10.664 1.00 0.00 H new ATOM 0 HA ASP A 18 10.531 -8.201 13.157 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.497 -7.938 12.494 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.869 -8.086 14.123 1.00 0.00 H new ATOM 285 N VAL A 19 11.041 -5.409 11.964 1.00 0.00 N ATOM 286 CA VAL A 19 11.029 -3.933 12.181 1.00 0.00 C ATOM 287 C VAL A 19 9.598 -3.405 12.069 1.00 0.00 C ATOM 288 O VAL A 19 8.863 -3.763 11.170 1.00 0.00 O ATOM 289 CB VAL A 19 11.889 -3.260 11.111 1.00 0.00 C ATOM 290 CG1 VAL A 19 12.011 -1.767 11.417 1.00 0.00 C ATOM 291 CG2 VAL A 19 13.281 -3.896 11.099 1.00 0.00 C ATOM 0 H VAL A 19 10.789 -5.708 11.022 1.00 0.00 H new ATOM 0 HA VAL A 19 11.423 -3.713 13.173 1.00 0.00 H new ATOM 0 HB VAL A 19 11.422 -3.392 10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.624 -1.288 10.654 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.019 -1.314 11.422 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.476 -1.633 12.393 1.00 0.00 H new ATOM 0 HG21 VAL A 19 13.894 -3.416 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.749 -3.766 12.075 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.193 -4.960 10.878 1.00 0.00 H new ATOM 301 N ALA A 20 9.198 -2.545 12.966 1.00 0.00 N ATOM 302 CA ALA A 20 7.819 -1.987 12.895 1.00 0.00 C ATOM 303 C ALA A 20 7.746 -0.997 11.720 1.00 0.00 C ATOM 304 O ALA A 20 8.673 -0.245 11.497 1.00 0.00 O ATOM 305 CB ALA A 20 7.502 -1.252 14.199 1.00 0.00 C ATOM 0 H ALA A 20 9.765 -2.206 13.743 1.00 0.00 H new ATOM 0 HA ALA A 20 7.098 -2.792 12.749 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.493 -0.842 14.150 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.571 -1.948 15.035 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.216 -0.441 14.342 1.00 0.00 H new ATOM 311 N PRO A 21 6.662 -0.976 10.976 1.00 0.00 N ATOM 312 CA PRO A 21 6.520 -0.035 9.827 1.00 0.00 C ATOM 313 C PRO A 21 6.890 1.395 10.222 1.00 0.00 C ATOM 314 O PRO A 21 7.419 2.153 9.434 1.00 0.00 O ATOM 315 CB PRO A 21 5.037 -0.110 9.464 1.00 0.00 C ATOM 316 CG PRO A 21 4.550 -1.422 9.986 1.00 0.00 C ATOM 317 CD PRO A 21 5.473 -1.832 11.134 1.00 0.00 C ATOM 0 HA PRO A 21 7.180 -0.302 9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.484 0.717 9.910 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.896 -0.043 8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.520 -1.338 10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.560 -2.175 9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.997 -1.675 12.102 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.734 -2.889 11.075 1.00 0.00 H new ATOM 325 N ALA A 22 6.625 1.759 11.444 1.00 0.00 N ATOM 326 CA ALA A 22 6.968 3.131 11.909 1.00 0.00 C ATOM 327 C ALA A 22 8.489 3.265 12.001 1.00 0.00 C ATOM 328 O ALA A 22 9.031 4.351 12.002 1.00 0.00 O ATOM 329 CB ALA A 22 6.352 3.364 13.289 1.00 0.00 C ATOM 0 H ALA A 22 6.184 1.163 12.144 1.00 0.00 H new ATOM 0 HA ALA A 22 6.578 3.867 11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.601 4.368 13.634 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.269 3.260 13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.747 2.631 13.992 1.00 0.00 H new ATOM 335 N ASP A 23 9.178 2.160 12.080 1.00 0.00 N ATOM 336 CA ASP A 23 10.664 2.206 12.176 1.00 0.00 C ATOM 337 C ASP A 23 11.267 1.971 10.793 1.00 0.00 C ATOM 338 O ASP A 23 12.469 1.904 10.630 1.00 0.00 O ATOM 339 CB ASP A 23 11.148 1.120 13.138 1.00 0.00 C ATOM 340 CG ASP A 23 10.678 1.446 14.556 1.00 0.00 C ATOM 341 OD1 ASP A 23 10.773 0.576 15.405 1.00 0.00 O ATOM 342 OD2 ASP A 23 10.231 2.560 14.768 1.00 0.00 O ATOM 0 H ASP A 23 8.774 1.224 12.082 1.00 0.00 H new ATOM 0 HA ASP A 23 10.976 3.182 12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.762 0.148 12.830 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.236 1.054 13.111 1.00 0.00 H new ATOM 347 N VAL A 24 10.438 1.856 9.794 1.00 0.00 N ATOM 348 CA VAL A 24 10.955 1.634 8.417 1.00 0.00 C ATOM 349 C VAL A 24 10.847 2.941 7.638 1.00 0.00 C ATOM 350 O VAL A 24 9.851 3.634 7.707 1.00 0.00 O ATOM 351 CB VAL A 24 10.126 0.553 7.721 1.00 0.00 C ATOM 352 CG1 VAL A 24 10.692 0.295 6.323 1.00 0.00 C ATOM 353 CG2 VAL A 24 10.183 -0.739 8.538 1.00 0.00 C ATOM 0 H VAL A 24 9.422 1.906 9.873 1.00 0.00 H new ATOM 0 HA VAL A 24 11.995 1.310 8.460 1.00 0.00 H new ATOM 0 HB VAL A 24 9.092 0.887 7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.101 -0.475 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.652 1.214 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.727 -0.038 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 24 9.592 -1.509 8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 24 11.218 -1.072 8.621 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.780 -0.558 9.534 1.00 0.00 H new ATOM 363 N ASP A 25 11.863 3.294 6.904 1.00 0.00 N ATOM 364 CA ASP A 25 11.806 4.564 6.136 1.00 0.00 C ATOM 365 C ASP A 25 10.756 4.442 5.032 1.00 0.00 C ATOM 366 O ASP A 25 11.025 3.943 3.958 1.00 0.00 O ATOM 367 CB ASP A 25 13.174 4.845 5.512 1.00 0.00 C ATOM 368 CG ASP A 25 14.193 5.124 6.619 1.00 0.00 C ATOM 369 OD1 ASP A 25 13.772 5.326 7.746 1.00 0.00 O ATOM 370 OD2 ASP A 25 15.376 5.131 6.320 1.00 0.00 O ATOM 0 H ASP A 25 12.726 2.760 6.803 1.00 0.00 H new ATOM 0 HA ASP A 25 11.538 5.383 6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 25 13.495 3.992 4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.110 5.700 4.839 1.00 0.00 H new ATOM 375 N VAL A 26 9.560 4.898 5.288 1.00 0.00 N ATOM 376 CA VAL A 26 8.494 4.812 4.249 1.00 0.00 C ATOM 377 C VAL A 26 8.924 5.595 3.006 1.00 0.00 C ATOM 378 O VAL A 26 8.171 5.742 2.062 1.00 0.00 O ATOM 379 CB VAL A 26 7.196 5.403 4.803 1.00 0.00 C ATOM 380 CG1 VAL A 26 6.817 4.680 6.096 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.399 6.891 5.093 1.00 0.00 C ATOM 0 H VAL A 26 9.275 5.325 6.169 1.00 0.00 H new ATOM 0 HA VAL A 26 8.333 3.768 3.979 1.00 0.00 H new ATOM 0 HB VAL A 26 6.398 5.279 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.892 5.101 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.674 3.619 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.614 4.804 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.475 7.314 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.197 7.013 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.670 7.407 4.172 1.00 0.00 H new ATOM 391 N ASP A 27 10.135 6.084 2.987 1.00 0.00 N ATOM 392 CA ASP A 27 10.619 6.840 1.799 1.00 0.00 C ATOM 393 C ASP A 27 11.327 5.866 0.856 1.00 0.00 C ATOM 394 O ASP A 27 11.908 6.255 -0.138 1.00 0.00 O ATOM 395 CB ASP A 27 11.599 7.927 2.246 1.00 0.00 C ATOM 396 CG ASP A 27 10.856 8.972 3.081 1.00 0.00 C ATOM 397 OD1 ASP A 27 11.520 9.772 3.718 1.00 0.00 O ATOM 398 OD2 ASP A 27 9.636 8.955 3.066 1.00 0.00 O ATOM 0 H ASP A 27 10.810 5.991 3.746 1.00 0.00 H new ATOM 0 HA ASP A 27 9.778 7.309 1.288 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.406 7.486 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.056 8.399 1.377 1.00 0.00 H new ATOM 403 N LEU A 28 11.281 4.600 1.168 1.00 0.00 N ATOM 404 CA LEU A 28 11.945 3.585 0.304 1.00 0.00 C ATOM 405 C LEU A 28 10.947 3.064 -0.721 1.00 0.00 C ATOM 406 O LEU A 28 9.806 2.787 -0.406 1.00 0.00 O ATOM 407 CB LEU A 28 12.434 2.421 1.170 1.00 0.00 C ATOM 408 CG LEU A 28 13.221 1.428 0.310 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.561 2.042 -0.106 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.476 0.151 1.115 1.00 0.00 C ATOM 0 H LEU A 28 10.809 4.223 1.990 1.00 0.00 H new ATOM 0 HA LEU A 28 12.792 4.041 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.064 2.796 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.585 1.920 1.635 1.00 0.00 H new ATOM 0 HG LEU A 28 12.643 1.192 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.114 1.329 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.382 2.951 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.142 2.284 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.036 -0.558 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.050 0.393 2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.524 -0.293 1.404 1.00 0.00 H new ATOM 422 N ASP A 29 11.363 2.921 -1.946 1.00 0.00 N ATOM 423 CA ASP A 29 10.428 2.412 -2.978 1.00 0.00 C ATOM 424 C ASP A 29 10.009 0.995 -2.598 1.00 0.00 C ATOM 425 O ASP A 29 10.832 0.116 -2.441 1.00 0.00 O ATOM 426 CB ASP A 29 11.121 2.398 -4.342 1.00 0.00 C ATOM 427 CG ASP A 29 11.419 3.834 -4.778 1.00 0.00 C ATOM 428 OD1 ASP A 29 12.179 4.001 -5.718 1.00 0.00 O ATOM 429 OD2 ASP A 29 10.882 4.742 -4.165 1.00 0.00 O ATOM 0 H ASP A 29 12.305 3.134 -2.274 1.00 0.00 H new ATOM 0 HA ASP A 29 9.551 3.057 -3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.046 1.824 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.486 1.907 -5.079 1.00 0.00 H new ATOM 434 N LEU A 30 8.738 0.769 -2.438 1.00 0.00 N ATOM 435 CA LEU A 30 8.274 -0.589 -2.056 1.00 0.00 C ATOM 436 C LEU A 30 8.511 -1.553 -3.217 1.00 0.00 C ATOM 437 O LEU A 30 8.282 -2.741 -3.105 1.00 0.00 O ATOM 438 CB LEU A 30 6.781 -0.549 -1.716 1.00 0.00 C ATOM 439 CG LEU A 30 6.544 0.451 -0.584 1.00 0.00 C ATOM 440 CD1 LEU A 30 5.058 0.468 -0.221 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.359 0.036 0.644 1.00 0.00 C ATOM 0 H LEU A 30 8.002 1.465 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 30 8.831 -0.929 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.204 -0.263 -2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.438 -1.540 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 30 6.853 1.445 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.889 1.181 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.474 0.762 -1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.751 -0.526 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.190 0.749 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.049 -0.958 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.419 0.021 0.389 1.00 0.00 H new ATOM 453 N VAL A 31 8.971 -1.056 -4.334 1.00 0.00 N ATOM 454 CA VAL A 31 9.220 -1.958 -5.492 1.00 0.00 C ATOM 455 C VAL A 31 10.081 -3.129 -5.027 1.00 0.00 C ATOM 456 O VAL A 31 9.839 -4.268 -5.374 1.00 0.00 O ATOM 457 CB VAL A 31 9.944 -1.193 -6.599 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.443 -2.178 -7.658 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.975 -0.201 -7.248 1.00 0.00 C ATOM 0 H VAL A 31 9.183 -0.071 -4.493 1.00 0.00 H new ATOM 0 HA VAL A 31 8.272 -2.327 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 31 10.791 -0.654 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.959 -1.632 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.130 -2.889 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.595 -2.716 -8.083 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.489 0.346 -8.038 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.130 -0.743 -7.673 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.615 0.501 -6.496 1.00 0.00 H new ATOM 469 N ASP A 32 11.071 -2.863 -4.223 1.00 0.00 N ATOM 470 CA ASP A 32 11.924 -3.971 -3.716 1.00 0.00 C ATOM 471 C ASP A 32 11.008 -4.983 -3.035 1.00 0.00 C ATOM 472 O ASP A 32 11.211 -6.178 -3.102 1.00 0.00 O ATOM 473 CB ASP A 32 12.937 -3.427 -2.706 1.00 0.00 C ATOM 474 CG ASP A 32 13.941 -2.524 -3.424 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.952 -2.536 -4.644 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.682 -1.836 -2.743 1.00 0.00 O ATOM 0 H ASP A 32 11.325 -1.931 -3.896 1.00 0.00 H new ATOM 0 HA ASP A 32 12.472 -4.438 -4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.423 -2.867 -1.925 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.458 -4.251 -2.218 1.00 0.00 H new ATOM 481 N ASN A 33 9.981 -4.495 -2.397 1.00 0.00 N ATOM 482 CA ASN A 33 9.012 -5.394 -1.721 1.00 0.00 C ATOM 483 C ASN A 33 8.008 -5.885 -2.764 1.00 0.00 C ATOM 484 O ASN A 33 6.955 -6.399 -2.440 1.00 0.00 O ATOM 485 CB ASN A 33 8.278 -4.625 -0.624 1.00 0.00 C ATOM 486 CG ASN A 33 9.290 -4.083 0.387 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.567 -4.230 0.157 1.00 0.00 O flip ATOM 488 ND2 ASN A 33 8.917 -3.514 1.393 1.00 0.00 N flip ATOM 0 H ASN A 33 9.772 -3.500 -2.316 1.00 0.00 H new ATOM 0 HA ASN A 33 9.532 -6.240 -1.271 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.709 -3.804 -1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.563 -5.278 -0.124 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.920 -3.399 1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.601 -3.151 2.057 1.00 0.00 H new ATOM 495 N GLY A 34 8.329 -5.708 -4.020 1.00 0.00 N ATOM 496 CA GLY A 34 7.408 -6.140 -5.110 1.00 0.00 C ATOM 497 C GLY A 34 6.816 -7.509 -4.780 1.00 0.00 C ATOM 498 O GLY A 34 5.835 -7.925 -5.359 1.00 0.00 O ATOM 0 H GLY A 34 9.198 -5.279 -4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.609 -5.409 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.947 -6.186 -6.056 1.00 0.00 H new ATOM 502 N VAL A 35 7.390 -8.211 -3.850 1.00 0.00 N ATOM 503 CA VAL A 35 6.830 -9.541 -3.496 1.00 0.00 C ATOM 504 C VAL A 35 5.336 -9.371 -3.218 1.00 0.00 C ATOM 505 O VAL A 35 4.523 -10.196 -3.585 1.00 0.00 O ATOM 506 CB VAL A 35 7.527 -10.075 -2.243 1.00 0.00 C ATOM 507 CG1 VAL A 35 6.773 -11.298 -1.717 1.00 0.00 C ATOM 508 CG2 VAL A 35 8.963 -10.474 -2.591 1.00 0.00 C ATOM 0 H VAL A 35 8.215 -7.926 -3.323 1.00 0.00 H new ATOM 0 HA VAL A 35 6.985 -10.245 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 35 7.538 -9.300 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.271 -11.677 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.750 -11.016 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.760 -12.074 -2.482 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.461 -10.855 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.950 -11.249 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.502 -9.603 -2.964 1.00 0.00 H new ATOM 518 N ILE A 36 4.973 -8.295 -2.574 1.00 0.00 N ATOM 519 CA ILE A 36 3.536 -8.048 -2.267 1.00 0.00 C ATOM 520 C ILE A 36 2.782 -7.698 -3.551 1.00 0.00 C ATOM 521 O ILE A 36 1.587 -7.867 -3.645 1.00 0.00 O ATOM 522 CB ILE A 36 3.428 -6.863 -1.312 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.111 -6.947 -0.546 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.459 -5.562 -2.114 1.00 0.00 C ATOM 525 CD1 ILE A 36 1.939 -5.697 0.317 1.00 0.00 C ATOM 0 H ILE A 36 5.614 -7.573 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 36 3.108 -8.945 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 36 4.262 -6.884 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.278 -7.037 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.100 -7.839 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.382 -4.714 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.395 -5.499 -2.669 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.622 -5.545 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.998 -5.759 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.765 -5.627 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.931 -4.813 -0.321 1.00 0.00 H new ATOM 537 N ASP A 37 3.467 -7.185 -4.528 1.00 0.00 N ATOM 538 CA ASP A 37 2.785 -6.794 -5.796 1.00 0.00 C ATOM 539 C ASP A 37 2.171 -8.017 -6.484 1.00 0.00 C ATOM 540 O ASP A 37 1.181 -7.906 -7.179 1.00 0.00 O ATOM 541 CB ASP A 37 3.786 -6.127 -6.740 1.00 0.00 C ATOM 542 CG ASP A 37 4.256 -4.802 -6.136 1.00 0.00 C ATOM 543 OD1 ASP A 37 5.227 -4.257 -6.634 1.00 0.00 O ATOM 544 OD2 ASP A 37 3.637 -4.356 -5.184 1.00 0.00 O ATOM 0 H ASP A 37 4.473 -7.017 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 37 1.987 -6.093 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.639 -6.785 -6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.324 -5.952 -7.712 1.00 0.00 H new ATOM 549 N SER A 38 2.755 -9.176 -6.324 1.00 0.00 N ATOM 550 CA SER A 38 2.196 -10.382 -7.003 1.00 0.00 C ATOM 551 C SER A 38 1.464 -11.285 -6.006 1.00 0.00 C ATOM 552 O SER A 38 0.270 -11.491 -6.104 1.00 0.00 O ATOM 553 CB SER A 38 3.335 -11.168 -7.651 1.00 0.00 C ATOM 554 OG SER A 38 3.820 -10.444 -8.788 1.00 0.00 O ATOM 0 H SER A 38 3.588 -9.339 -5.758 1.00 0.00 H new ATOM 0 HA SER A 38 1.484 -10.053 -7.760 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.140 -11.323 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.985 -12.154 -7.955 1.00 0.00 H new ATOM 0 HG SER A 38 4.552 -10.944 -9.206 1.00 0.00 H new ATOM 559 N LEU A 39 2.170 -11.850 -5.069 1.00 0.00 N ATOM 560 CA LEU A 39 1.512 -12.767 -4.094 1.00 0.00 C ATOM 561 C LEU A 39 0.646 -11.985 -3.105 1.00 0.00 C ATOM 562 O LEU A 39 -0.514 -12.286 -2.909 1.00 0.00 O ATOM 563 CB LEU A 39 2.585 -13.544 -3.330 1.00 0.00 C ATOM 564 CG LEU A 39 1.935 -14.638 -2.476 1.00 0.00 C ATOM 565 CD1 LEU A 39 2.813 -15.890 -2.501 1.00 0.00 C ATOM 566 CD2 LEU A 39 1.800 -14.149 -1.031 1.00 0.00 C ATOM 0 H LEU A 39 3.172 -11.718 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 39 0.869 -13.456 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.291 -13.990 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.153 -12.865 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 39 0.948 -14.871 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.352 -16.670 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.915 -16.242 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.798 -15.652 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.338 -14.928 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.787 -13.917 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.179 -13.254 -1.006 1.00 0.00 H new ATOM 578 N GLY A 40 1.200 -10.991 -2.473 1.00 0.00 N ATOM 579 CA GLY A 40 0.408 -10.202 -1.487 1.00 0.00 C ATOM 580 C GLY A 40 -0.703 -9.434 -2.203 1.00 0.00 C ATOM 581 O GLY A 40 -1.791 -9.275 -1.688 1.00 0.00 O ATOM 0 H GLY A 40 2.167 -10.689 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.023 -10.867 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.060 -9.506 -0.958 1.00 0.00 H new ATOM 585 N LEU A 41 -0.431 -8.949 -3.378 1.00 0.00 N ATOM 586 CA LEU A 41 -1.460 -8.180 -4.127 1.00 0.00 C ATOM 587 C LEU A 41 -2.689 -9.059 -4.339 1.00 0.00 C ATOM 588 O LEU A 41 -3.813 -8.616 -4.211 1.00 0.00 O ATOM 589 CB LEU A 41 -0.883 -7.767 -5.481 1.00 0.00 C ATOM 590 CG LEU A 41 -1.868 -6.856 -6.218 1.00 0.00 C ATOM 591 CD1 LEU A 41 -1.512 -5.395 -5.947 1.00 0.00 C ATOM 592 CD2 LEU A 41 -1.786 -7.129 -7.721 1.00 0.00 C ATOM 0 H LEU A 41 0.464 -9.052 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.745 -7.291 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.066 -7.249 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.676 -8.652 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.880 -7.055 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.213 -4.746 -6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.568 -5.199 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.500 -5.196 -6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.487 -6.481 -8.247 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.774 -6.930 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.039 -8.171 -7.916 1.00 0.00 H new ATOM 604 N LEU A 42 -2.488 -10.304 -4.657 1.00 0.00 N ATOM 605 CA LEU A 42 -3.652 -11.206 -4.870 1.00 0.00 C ATOM 606 C LEU A 42 -4.395 -11.375 -3.542 1.00 0.00 C ATOM 607 O LEU A 42 -5.607 -11.317 -3.483 1.00 0.00 O ATOM 608 CB LEU A 42 -3.158 -12.570 -5.360 1.00 0.00 C ATOM 609 CG LEU A 42 -4.349 -13.457 -5.724 1.00 0.00 C ATOM 610 CD1 LEU A 42 -4.780 -13.159 -7.157 1.00 0.00 C ATOM 611 CD2 LEU A 42 -3.941 -14.928 -5.611 1.00 0.00 C ATOM 0 H LEU A 42 -1.572 -10.736 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.322 -10.779 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.511 -12.442 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.560 -13.050 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.177 -13.256 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.629 -13.790 -7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.067 -12.111 -7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.952 -13.363 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.789 -15.562 -5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.115 -15.130 -6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.628 -15.141 -4.589 1.00 0.00 H new ATOM 623 N LYS A 43 -3.669 -11.577 -2.478 1.00 0.00 N ATOM 624 CA LYS A 43 -4.316 -11.745 -1.147 1.00 0.00 C ATOM 625 C LYS A 43 -4.947 -10.424 -0.698 1.00 0.00 C ATOM 626 O LYS A 43 -6.048 -10.392 -0.185 1.00 0.00 O ATOM 627 CB LYS A 43 -3.262 -12.174 -0.129 1.00 0.00 C ATOM 628 CG LYS A 43 -3.938 -12.529 1.196 1.00 0.00 C ATOM 629 CD LYS A 43 -2.879 -12.631 2.297 1.00 0.00 C ATOM 630 CE LYS A 43 -2.004 -13.866 2.066 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.620 -13.435 1.723 1.00 0.00 N ATOM 0 H LYS A 43 -2.651 -11.633 -2.473 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.095 -12.504 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.707 -13.033 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.542 -11.370 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.676 -11.770 1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.473 -13.474 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.261 -11.733 2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.361 -12.693 3.273 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.992 -14.489 2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.418 -14.473 1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.024 -14.273 1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.640 -12.858 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.227 -12.873 2.505 1.00 0.00 H new ATOM 645 N VAL A 44 -4.246 -9.336 -0.871 1.00 0.00 N ATOM 646 CA VAL A 44 -4.787 -8.015 -0.438 1.00 0.00 C ATOM 647 C VAL A 44 -6.032 -7.654 -1.247 1.00 0.00 C ATOM 648 O VAL A 44 -7.024 -7.213 -0.708 1.00 0.00 O ATOM 649 CB VAL A 44 -3.718 -6.945 -0.647 1.00 0.00 C ATOM 650 CG1 VAL A 44 -4.293 -5.571 -0.300 1.00 0.00 C ATOM 651 CG2 VAL A 44 -2.522 -7.243 0.258 1.00 0.00 C ATOM 0 H VAL A 44 -3.319 -9.305 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.060 -8.072 0.616 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.398 -6.948 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.529 -4.808 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.147 -5.361 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.614 -5.563 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.756 -6.481 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.844 -7.239 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.112 -8.222 0.009 1.00 0.00 H new ATOM 661 N ILE A 45 -5.991 -7.828 -2.534 1.00 0.00 N ATOM 662 CA ILE A 45 -7.177 -7.485 -3.363 1.00 0.00 C ATOM 663 C ILE A 45 -8.371 -8.332 -2.920 1.00 0.00 C ATOM 664 O ILE A 45 -9.463 -7.835 -2.735 1.00 0.00 O ATOM 665 CB ILE A 45 -6.855 -7.758 -4.836 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.376 -6.467 -5.506 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.105 -8.268 -5.555 1.00 0.00 C ATOM 668 CD1 ILE A 45 -5.294 -5.801 -4.652 1.00 0.00 C ATOM 0 H ILE A 45 -5.189 -8.192 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.426 -6.431 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.071 -8.513 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.983 -6.687 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.215 -5.785 -5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.870 -8.460 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.445 -9.190 -5.084 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.893 -7.517 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.960 -4.884 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.701 -5.564 -3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.449 -6.480 -4.540 1.00 0.00 H new ATOM 680 N ALA A 46 -8.171 -9.609 -2.756 1.00 0.00 N ATOM 681 CA ALA A 46 -9.293 -10.495 -2.333 1.00 0.00 C ATOM 682 C ALA A 46 -9.725 -10.159 -0.902 1.00 0.00 C ATOM 683 O ALA A 46 -10.899 -10.086 -0.600 1.00 0.00 O ATOM 684 CB ALA A 46 -8.822 -11.949 -2.385 1.00 0.00 C ATOM 0 H ALA A 46 -7.277 -10.080 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.140 -10.346 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.635 -12.606 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.520 -12.197 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.975 -12.081 -1.712 1.00 0.00 H new ATOM 690 N TRP A 47 -8.789 -9.968 -0.016 1.00 0.00 N ATOM 691 CA TRP A 47 -9.153 -9.646 1.393 1.00 0.00 C ATOM 692 C TRP A 47 -9.548 -8.172 1.517 1.00 0.00 C ATOM 693 O TRP A 47 -10.558 -7.835 2.103 1.00 0.00 O ATOM 694 CB TRP A 47 -7.960 -9.942 2.296 1.00 0.00 C ATOM 695 CG TRP A 47 -8.040 -9.102 3.527 1.00 0.00 C ATOM 696 CD1 TRP A 47 -9.125 -8.980 4.327 1.00 0.00 C ATOM 697 CD2 TRP A 47 -7.006 -8.269 4.107 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.814 -8.117 5.365 1.00 0.00 N ATOM 699 CE2 TRP A 47 -7.516 -7.653 5.272 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.685 -7.994 3.732 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -6.735 -6.790 6.041 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.893 -7.127 4.500 1.00 0.00 C ATOM 703 CH2 TRP A 47 -5.417 -6.526 5.653 1.00 0.00 C ATOM 0 H TRP A 47 -7.788 -10.021 -0.205 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.003 -10.258 1.694 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.949 -10.998 2.565 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -7.030 -9.738 1.765 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -10.075 -9.473 4.181 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -9.464 -7.856 6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.273 -8.453 2.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.144 -6.330 6.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.876 -6.922 4.202 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.804 -5.860 6.241 1.00 0.00 H new ATOM 714 N LEU A 48 -8.744 -7.291 0.990 1.00 0.00 N ATOM 715 CA LEU A 48 -9.047 -5.834 1.094 1.00 0.00 C ATOM 716 C LEU A 48 -10.382 -5.513 0.417 1.00 0.00 C ATOM 717 O LEU A 48 -11.175 -4.748 0.930 1.00 0.00 O ATOM 718 CB LEU A 48 -7.936 -5.044 0.405 1.00 0.00 C ATOM 719 CG LEU A 48 -8.057 -3.570 0.761 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.318 -3.318 2.069 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.434 -2.726 -0.352 1.00 0.00 C ATOM 0 H LEU A 48 -7.885 -7.518 0.489 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.111 -5.561 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.962 -5.424 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.001 -5.173 -0.675 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.107 -3.298 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.398 -2.264 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.759 -3.926 2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.268 -3.584 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.520 -1.669 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.382 -2.989 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.956 -2.918 -1.290 1.00 0.00 H new ATOM 733 N GLU A 49 -10.641 -6.080 -0.729 1.00 0.00 N ATOM 734 CA GLU A 49 -11.924 -5.787 -1.419 1.00 0.00 C ATOM 735 C GLU A 49 -13.078 -6.337 -0.581 1.00 0.00 C ATOM 736 O GLU A 49 -14.125 -5.731 -0.472 1.00 0.00 O ATOM 737 CB GLU A 49 -11.917 -6.445 -2.802 1.00 0.00 C ATOM 738 CG GLU A 49 -12.032 -7.957 -2.649 1.00 0.00 C ATOM 739 CD GLU A 49 -13.506 -8.361 -2.608 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.341 -7.476 -2.493 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.778 -9.547 -2.692 1.00 0.00 O ATOM 0 H GLU A 49 -10.022 -6.730 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.047 -4.711 -1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.745 -6.066 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.999 -6.192 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.532 -8.455 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.531 -8.279 -1.736 1.00 0.00 H new ATOM 748 N ASP A 50 -12.886 -7.475 0.023 1.00 0.00 N ATOM 749 CA ASP A 50 -13.958 -8.066 0.869 1.00 0.00 C ATOM 750 C ASP A 50 -14.144 -7.217 2.128 1.00 0.00 C ATOM 751 O ASP A 50 -15.244 -7.018 2.602 1.00 0.00 O ATOM 752 CB ASP A 50 -13.556 -9.483 1.271 1.00 0.00 C ATOM 753 CG ASP A 50 -14.747 -10.189 1.921 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.820 -9.607 1.935 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.567 -11.299 2.393 1.00 0.00 O ATOM 0 H ASP A 50 -12.028 -8.024 -0.033 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.892 -8.092 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.224 -10.040 0.395 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.716 -9.451 1.965 1.00 0.00 H new ATOM 760 N ARG A 51 -13.065 -6.736 2.681 1.00 0.00 N ATOM 761 CA ARG A 51 -13.156 -5.917 3.923 1.00 0.00 C ATOM 762 C ARG A 51 -14.029 -4.681 3.693 1.00 0.00 C ATOM 763 O ARG A 51 -14.815 -4.308 4.542 1.00 0.00 O ATOM 764 CB ARG A 51 -11.750 -5.477 4.340 1.00 0.00 C ATOM 765 CG ARG A 51 -11.819 -4.761 5.690 1.00 0.00 C ATOM 766 CD ARG A 51 -10.418 -4.306 6.100 1.00 0.00 C ATOM 767 NE ARG A 51 -10.466 -3.720 7.468 1.00 0.00 N ATOM 768 CZ ARG A 51 -9.406 -3.742 8.229 1.00 0.00 C ATOM 769 NH1 ARG A 51 -9.454 -3.232 9.429 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.297 -4.273 7.791 1.00 0.00 N ATOM 0 H ARG A 51 -12.120 -6.876 2.324 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.608 -6.520 4.710 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.092 -6.343 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.326 -4.814 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.487 -3.902 5.624 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.232 -5.428 6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.729 -5.150 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.041 -3.569 5.390 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.330 -3.300 7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.320 -2.816 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.626 -3.249 10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.258 -4.671 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.469 -4.289 8.387 1.00 0.00 H new ATOM 784 N PHE A 52 -13.901 -4.034 2.564 1.00 0.00 N ATOM 785 CA PHE A 52 -14.725 -2.823 2.310 1.00 0.00 C ATOM 786 C PHE A 52 -15.874 -3.165 1.360 1.00 0.00 C ATOM 787 O PHE A 52 -16.748 -2.358 1.113 1.00 0.00 O ATOM 788 CB PHE A 52 -13.839 -1.743 1.689 1.00 0.00 C ATOM 789 CG PHE A 52 -12.836 -1.268 2.713 1.00 0.00 C ATOM 790 CD1 PHE A 52 -11.570 -1.861 2.781 1.00 0.00 C ATOM 791 CD2 PHE A 52 -13.174 -0.235 3.594 1.00 0.00 C ATOM 792 CE1 PHE A 52 -10.642 -1.419 3.732 1.00 0.00 C ATOM 793 CE2 PHE A 52 -12.246 0.207 4.546 1.00 0.00 C ATOM 794 CZ PHE A 52 -10.980 -0.386 4.614 1.00 0.00 C ATOM 0 H PHE A 52 -13.263 -4.293 1.811 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.144 -2.460 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.323 -2.139 0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.450 -0.908 1.347 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.309 -2.658 2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.151 0.222 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.665 -1.876 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.507 1.004 5.226 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.264 -0.046 5.347 1.00 0.00 H new ATOM 804 N GLY A 53 -15.887 -4.358 0.833 1.00 0.00 N ATOM 805 CA GLY A 53 -16.989 -4.748 -0.091 1.00 0.00 C ATOM 806 C GLY A 53 -16.920 -3.898 -1.359 1.00 0.00 C ATOM 807 O GLY A 53 -17.927 -3.603 -1.971 1.00 0.00 O ATOM 0 H GLY A 53 -15.184 -5.078 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.907 -5.805 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.953 -4.611 0.399 1.00 0.00 H new ATOM 811 N ILE A 54 -15.741 -3.493 -1.752 1.00 0.00 N ATOM 812 CA ILE A 54 -15.610 -2.651 -2.977 1.00 0.00 C ATOM 813 C ILE A 54 -14.879 -3.433 -4.069 1.00 0.00 C ATOM 814 O ILE A 54 -14.040 -4.263 -3.792 1.00 0.00 O ATOM 815 CB ILE A 54 -14.809 -1.398 -2.626 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.390 -1.811 -2.216 1.00 0.00 C ATOM 817 CG2 ILE A 54 -15.492 -0.668 -1.468 1.00 0.00 C ATOM 818 CD1 ILE A 54 -12.608 -0.584 -1.751 1.00 0.00 C ATOM 0 H ILE A 54 -14.864 -3.709 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.599 -2.374 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.760 -0.733 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -13.433 -2.550 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -12.881 -2.281 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -14.923 0.226 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -16.502 -0.384 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -15.538 -1.326 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.601 -0.883 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.552 0.141 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -13.113 -0.133 -0.897 1.00 0.00 H new ATOM 830 N ALA A 55 -15.187 -3.168 -5.309 1.00 0.00 N ATOM 831 CA ALA A 55 -14.503 -3.894 -6.416 1.00 0.00 C ATOM 832 C ALA A 55 -13.045 -3.440 -6.491 1.00 0.00 C ATOM 833 O ALA A 55 -12.730 -2.291 -6.249 1.00 0.00 O ATOM 834 CB ALA A 55 -15.204 -3.583 -7.740 1.00 0.00 C ATOM 0 H ALA A 55 -15.882 -2.481 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.543 -4.967 -6.230 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.704 -4.114 -8.550 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.245 -3.903 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.164 -2.510 -7.930 1.00 0.00 H new ATOM 840 N ALA A 56 -12.150 -4.329 -6.823 1.00 0.00 N ATOM 841 CA ALA A 56 -10.714 -3.938 -6.911 1.00 0.00 C ATOM 842 C ALA A 56 -10.550 -2.853 -7.977 1.00 0.00 C ATOM 843 O ALA A 56 -9.748 -1.952 -7.842 1.00 0.00 O ATOM 844 CB ALA A 56 -9.874 -5.159 -7.289 1.00 0.00 C ATOM 0 H ALA A 56 -12.349 -5.306 -7.037 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.380 -3.555 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.824 -4.873 -7.353 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.993 -5.932 -6.530 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.205 -5.544 -8.254 1.00 0.00 H new ATOM 850 N ASP A 57 -11.307 -2.935 -9.036 1.00 0.00 N ATOM 851 CA ASP A 57 -11.202 -1.911 -10.112 1.00 0.00 C ATOM 852 C ASP A 57 -9.744 -1.786 -10.560 1.00 0.00 C ATOM 853 O ASP A 57 -9.238 -0.700 -10.758 1.00 0.00 O ATOM 854 CB ASP A 57 -11.689 -0.564 -9.583 1.00 0.00 C ATOM 855 CG ASP A 57 -13.182 -0.651 -9.261 1.00 0.00 C ATOM 856 OD1 ASP A 57 -13.805 -1.609 -9.688 1.00 0.00 O ATOM 857 OD2 ASP A 57 -13.677 0.243 -8.594 1.00 0.00 O ATOM 0 H ASP A 57 -11.995 -3.669 -9.203 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.817 -2.213 -10.960 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.129 -0.288 -8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.511 0.215 -10.324 1.00 0.00 H new ATOM 862 N ASP A 58 -9.066 -2.888 -10.723 1.00 0.00 N ATOM 863 CA ASP A 58 -7.644 -2.825 -11.161 1.00 0.00 C ATOM 864 C ASP A 58 -7.584 -2.668 -12.681 1.00 0.00 C ATOM 865 O ASP A 58 -7.623 -3.635 -13.415 1.00 0.00 O ATOM 866 CB ASP A 58 -6.929 -4.112 -10.754 1.00 0.00 C ATOM 867 CG ASP A 58 -6.833 -4.186 -9.230 1.00 0.00 C ATOM 868 OD1 ASP A 58 -6.502 -5.248 -8.728 1.00 0.00 O ATOM 869 OD2 ASP A 58 -7.094 -3.181 -8.590 1.00 0.00 O ATOM 0 H ASP A 58 -9.434 -3.827 -10.572 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.156 -1.972 -10.689 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.470 -4.977 -11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.932 -4.140 -11.193 1.00 0.00 H new ATOM 874 N VAL A 59 -7.489 -1.459 -13.161 1.00 0.00 N ATOM 875 CA VAL A 59 -7.426 -1.249 -14.634 1.00 0.00 C ATOM 876 C VAL A 59 -6.155 -1.895 -15.185 1.00 0.00 C ATOM 877 O VAL A 59 -6.173 -2.556 -16.204 1.00 0.00 O ATOM 878 CB VAL A 59 -7.413 0.247 -14.935 1.00 0.00 C ATOM 879 CG1 VAL A 59 -7.184 0.467 -16.431 1.00 0.00 C ATOM 880 CG2 VAL A 59 -8.756 0.859 -14.528 1.00 0.00 C ATOM 0 H VAL A 59 -7.452 -0.609 -12.598 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.297 -1.704 -15.105 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.610 0.724 -14.373 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.175 1.536 -16.644 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.228 0.031 -16.721 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.986 -0.009 -16.996 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.749 1.928 -14.742 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.559 0.382 -15.090 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -8.918 0.704 -13.461 1.00 0.00 H new ATOM 890 N GLU A 60 -5.052 -1.712 -14.516 1.00 0.00 N ATOM 891 CA GLU A 60 -3.778 -2.318 -14.995 1.00 0.00 C ATOM 892 C GLU A 60 -2.791 -2.432 -13.833 1.00 0.00 C ATOM 893 O GLU A 60 -2.692 -1.550 -13.003 1.00 0.00 O ATOM 894 CB GLU A 60 -3.172 -1.443 -16.093 1.00 0.00 C ATOM 895 CG GLU A 60 -1.922 -2.119 -16.644 1.00 0.00 C ATOM 896 CD GLU A 60 -1.274 -1.220 -17.699 1.00 0.00 C ATOM 897 OE1 GLU A 60 -1.790 -0.138 -17.923 1.00 0.00 O ATOM 898 OE2 GLU A 60 -0.275 -1.630 -18.265 1.00 0.00 O ATOM 0 H GLU A 60 -4.977 -1.168 -13.656 1.00 0.00 H new ATOM 0 HA GLU A 60 -3.983 -3.311 -15.394 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.897 -1.288 -16.892 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.922 -0.460 -15.694 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.217 -2.315 -15.836 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.181 -3.083 -17.082 1.00 0.00 H new ATOM 905 N LEU A 61 -2.060 -3.511 -13.767 1.00 0.00 N ATOM 906 CA LEU A 61 -1.079 -3.681 -12.662 1.00 0.00 C ATOM 907 C LEU A 61 0.332 -3.410 -13.187 1.00 0.00 C ATOM 908 O LEU A 61 0.701 -3.852 -14.257 1.00 0.00 O ATOM 909 CB LEU A 61 -1.155 -5.113 -12.131 1.00 0.00 C ATOM 910 CG LEU A 61 -2.602 -5.449 -11.780 1.00 0.00 C ATOM 911 CD1 LEU A 61 -2.661 -6.822 -11.111 1.00 0.00 C ATOM 912 CD2 LEU A 61 -3.155 -4.389 -10.823 1.00 0.00 C ATOM 0 H LEU A 61 -2.101 -4.283 -14.433 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.310 -2.981 -11.860 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.780 -5.810 -12.880 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.522 -5.220 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.201 -5.464 -12.690 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.695 -7.061 -10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.269 -7.576 -11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.061 -6.809 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.188 -4.629 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.555 -4.372 -9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.116 -3.411 -11.302 1.00 0.00 H new ATOM 924 N SER A 62 1.130 -2.692 -12.443 1.00 0.00 N ATOM 925 CA SER A 62 2.516 -2.405 -12.906 1.00 0.00 C ATOM 926 C SER A 62 3.387 -2.020 -11.703 1.00 0.00 C ATOM 927 O SER A 62 2.910 -1.425 -10.756 1.00 0.00 O ATOM 928 CB SER A 62 2.491 -1.251 -13.908 1.00 0.00 C ATOM 929 OG SER A 62 3.183 -1.638 -15.088 1.00 0.00 O ATOM 0 H SER A 62 0.882 -2.293 -11.537 1.00 0.00 H new ATOM 0 HA SER A 62 2.930 -3.292 -13.385 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.462 -0.984 -14.147 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.957 -0.367 -13.473 1.00 0.00 H new ATOM 0 HG SER A 62 3.167 -0.901 -15.733 1.00 0.00 H new ATOM 935 N PRO A 63 4.654 -2.352 -11.736 1.00 0.00 N ATOM 936 CA PRO A 63 5.597 -2.027 -10.626 1.00 0.00 C ATOM 937 C PRO A 63 5.763 -0.516 -10.439 1.00 0.00 C ATOM 938 O PRO A 63 6.170 -0.048 -9.394 1.00 0.00 O ATOM 939 CB PRO A 63 6.924 -2.663 -11.055 1.00 0.00 C ATOM 940 CG PRO A 63 6.813 -2.890 -12.526 1.00 0.00 C ATOM 941 CD PRO A 63 5.329 -3.060 -12.835 1.00 0.00 C ATOM 0 HA PRO A 63 5.234 -2.402 -9.669 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.764 -2.008 -10.823 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.096 -3.601 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.229 -2.048 -13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.374 -3.776 -12.824 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.071 -2.632 -13.804 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.046 -4.112 -12.866 1.00 0.00 H new ATOM 949 N GLU A 64 5.455 0.247 -11.453 1.00 0.00 N ATOM 950 CA GLU A 64 5.598 1.726 -11.353 1.00 0.00 C ATOM 951 C GLU A 64 4.706 2.265 -10.232 1.00 0.00 C ATOM 952 O GLU A 64 5.014 3.257 -9.601 1.00 0.00 O ATOM 953 CB GLU A 64 5.182 2.363 -12.678 1.00 0.00 C ATOM 954 CG GLU A 64 6.142 1.927 -13.779 1.00 0.00 C ATOM 955 CD GLU A 64 5.768 2.621 -15.090 1.00 0.00 C ATOM 956 OE1 GLU A 64 6.535 2.515 -16.033 1.00 0.00 O ATOM 957 OE2 GLU A 64 4.723 3.248 -15.129 1.00 0.00 O ATOM 0 H GLU A 64 5.109 -0.093 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 64 6.637 1.971 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.164 2.067 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.185 3.449 -12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.166 2.177 -13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.101 0.845 -13.904 1.00 0.00 H new ATOM 964 N HIS A 65 3.594 1.628 -9.992 1.00 0.00 N ATOM 965 CA HIS A 65 2.665 2.107 -8.928 1.00 0.00 C ATOM 966 C HIS A 65 3.287 1.916 -7.538 1.00 0.00 C ATOM 967 O HIS A 65 2.952 2.613 -6.601 1.00 0.00 O ATOM 968 CB HIS A 65 1.358 1.317 -9.012 1.00 0.00 C ATOM 969 CG HIS A 65 0.338 1.929 -8.093 1.00 0.00 C ATOM 970 ND1 HIS A 65 -0.171 3.203 -8.298 1.00 0.00 N ATOM 971 CD2 HIS A 65 -0.284 1.453 -6.965 1.00 0.00 C ATOM 972 CE1 HIS A 65 -1.058 3.450 -7.317 1.00 0.00 C ATOM 973 NE2 HIS A 65 -1.162 2.415 -6.481 1.00 0.00 N ATOM 0 H HIS A 65 3.286 0.792 -10.489 1.00 0.00 H new ATOM 0 HA HIS A 65 2.473 3.169 -9.080 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.986 1.318 -10.037 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.532 0.277 -8.737 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.082 3.838 -9.055 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.117 0.482 -6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.615 4.370 -7.219 1.00 0.00 H new ATOM 982 N PHE A 66 4.173 0.970 -7.386 1.00 0.00 N ATOM 983 CA PHE A 66 4.789 0.734 -6.045 1.00 0.00 C ATOM 984 C PHE A 66 6.106 1.504 -5.911 1.00 0.00 C ATOM 985 O PHE A 66 6.842 1.326 -4.961 1.00 0.00 O ATOM 986 CB PHE A 66 5.052 -0.762 -5.867 1.00 0.00 C ATOM 987 CG PHE A 66 3.733 -1.494 -5.813 1.00 0.00 C ATOM 988 CD1 PHE A 66 3.042 -1.595 -4.600 1.00 0.00 C ATOM 989 CD2 PHE A 66 3.199 -2.065 -6.974 1.00 0.00 C ATOM 990 CE1 PHE A 66 1.816 -2.268 -4.548 1.00 0.00 C ATOM 991 CE2 PHE A 66 1.974 -2.739 -6.922 1.00 0.00 C ATOM 992 CZ PHE A 66 1.283 -2.840 -5.709 1.00 0.00 C ATOM 0 H PHE A 66 4.498 0.351 -8.129 1.00 0.00 H new ATOM 0 HA PHE A 66 4.102 1.086 -5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.657 -1.138 -6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.617 -0.938 -4.952 1.00 0.00 H new ATOM 0 HD1 PHE A 66 3.455 -1.154 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.732 -1.985 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.282 -2.346 -3.613 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.562 -3.181 -7.817 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.337 -3.360 -5.669 1.00 0.00 H new ATOM 1002 N ARG A 67 6.411 2.356 -6.847 1.00 0.00 N ATOM 1003 CA ARG A 67 7.685 3.129 -6.763 1.00 0.00 C ATOM 1004 C ARG A 67 7.726 3.942 -5.468 1.00 0.00 C ATOM 1005 O ARG A 67 8.771 4.130 -4.879 1.00 0.00 O ATOM 1006 CB ARG A 67 7.780 4.074 -7.959 1.00 0.00 C ATOM 1007 CG ARG A 67 7.962 3.251 -9.227 1.00 0.00 C ATOM 1008 CD ARG A 67 9.453 3.019 -9.472 1.00 0.00 C ATOM 1009 NE ARG A 67 10.083 4.289 -9.929 1.00 0.00 N ATOM 1010 CZ ARG A 67 11.379 4.434 -9.864 1.00 0.00 C ATOM 1011 NH1 ARG A 67 11.930 5.546 -10.266 1.00 0.00 N ATOM 1012 NH2 ARG A 67 12.121 3.468 -9.398 1.00 0.00 N ATOM 0 H ARG A 67 5.836 2.552 -7.666 1.00 0.00 H new ATOM 0 HA ARG A 67 8.525 2.434 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.878 4.682 -8.031 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.618 4.760 -7.832 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.445 2.296 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.519 3.770 -10.077 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.933 2.671 -8.558 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.593 2.240 -10.222 1.00 0.00 H new ATOM 0 HE ARG A 67 9.502 5.045 -10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.349 6.301 -10.630 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.942 5.661 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.689 2.599 -9.084 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.133 3.582 -9.347 1.00 0.00 H new ATOM 1026 N SER A 68 6.606 4.432 -5.023 1.00 0.00 N ATOM 1027 CA SER A 68 6.603 5.239 -3.767 1.00 0.00 C ATOM 1028 C SER A 68 5.261 5.100 -3.045 1.00 0.00 C ATOM 1029 O SER A 68 4.255 4.754 -3.635 1.00 0.00 O ATOM 1030 CB SER A 68 6.843 6.709 -4.110 1.00 0.00 C ATOM 1031 OG SER A 68 5.704 7.224 -4.788 1.00 0.00 O ATOM 0 H SER A 68 5.696 4.312 -5.468 1.00 0.00 H new ATOM 0 HA SER A 68 7.395 4.875 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.029 7.281 -3.201 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.729 6.808 -4.736 1.00 0.00 H new ATOM 0 HG SER A 68 5.853 8.167 -5.008 1.00 0.00 H new ATOM 1037 N ILE A 69 5.242 5.374 -1.768 1.00 0.00 N ATOM 1038 CA ILE A 69 3.981 5.272 -0.988 1.00 0.00 C ATOM 1039 C ILE A 69 2.958 6.276 -1.526 1.00 0.00 C ATOM 1040 O ILE A 69 1.772 6.016 -1.545 1.00 0.00 O ATOM 1041 CB ILE A 69 4.282 5.593 0.476 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.471 4.765 0.964 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.071 5.257 1.331 1.00 0.00 C ATOM 1044 CD1 ILE A 69 5.335 3.319 0.482 1.00 0.00 C ATOM 0 H ILE A 69 6.057 5.667 -1.229 1.00 0.00 H new ATOM 0 HA ILE A 69 3.574 4.265 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 69 4.518 6.654 0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.401 5.195 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.520 4.791 2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.287 5.486 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.217 5.847 0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.840 4.196 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.186 2.736 0.834 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.414 2.889 0.875 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.308 3.300 -0.607 1.00 0.00 H new ATOM 1056 N ARG A 70 3.406 7.427 -1.946 1.00 0.00 N ATOM 1057 CA ARG A 70 2.456 8.453 -2.462 1.00 0.00 C ATOM 1058 C ARG A 70 1.695 7.897 -3.668 1.00 0.00 C ATOM 1059 O ARG A 70 0.525 8.169 -3.849 1.00 0.00 O ATOM 1060 CB ARG A 70 3.233 9.700 -2.884 1.00 0.00 C ATOM 1061 CG ARG A 70 3.897 10.329 -1.657 1.00 0.00 C ATOM 1062 CD ARG A 70 4.575 11.639 -2.057 1.00 0.00 C ATOM 1063 NE ARG A 70 5.557 11.378 -3.146 1.00 0.00 N ATOM 1064 CZ ARG A 70 6.486 12.256 -3.412 1.00 0.00 C ATOM 1065 NH1 ARG A 70 7.347 12.027 -4.365 1.00 0.00 N ATOM 1066 NH2 ARG A 70 6.552 13.364 -2.726 1.00 0.00 N ATOM 0 H ARG A 70 4.388 7.702 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 70 1.746 8.711 -1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.988 9.437 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.561 10.418 -3.355 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.152 10.515 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.631 9.642 -1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.829 12.360 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.079 12.078 -1.196 1.00 0.00 H new ATOM 0 HE ARG A 70 5.504 10.513 -3.684 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.295 11.162 -4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.073 12.713 -4.572 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.878 13.544 -1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.278 14.050 -2.934 1.00 0.00 H new ATOM 1080 N SER A 71 2.336 7.117 -4.492 1.00 0.00 N ATOM 1081 CA SER A 71 1.624 6.553 -5.672 1.00 0.00 C ATOM 1082 C SER A 71 0.437 5.718 -5.183 1.00 0.00 C ATOM 1083 O SER A 71 -0.653 5.795 -5.716 1.00 0.00 O ATOM 1084 CB SER A 71 2.579 5.665 -6.470 1.00 0.00 C ATOM 1085 OG SER A 71 1.949 5.269 -7.682 1.00 0.00 O ATOM 0 H SER A 71 3.315 6.847 -4.401 1.00 0.00 H new ATOM 0 HA SER A 71 1.269 7.362 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.501 6.204 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.852 4.787 -5.885 1.00 0.00 H new ATOM 0 HG SER A 71 1.336 4.525 -7.504 1.00 0.00 H new ATOM 1091 N ILE A 72 0.641 4.932 -4.163 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.463 4.099 -3.625 1.00 0.00 C ATOM 1093 C ILE A 72 -1.581 5.010 -3.117 1.00 0.00 C ATOM 1094 O ILE A 72 -2.751 4.721 -3.271 1.00 0.00 O ATOM 1095 CB ILE A 72 0.073 3.250 -2.476 1.00 0.00 C ATOM 1096 CG1 ILE A 72 1.209 2.361 -2.989 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.049 2.375 -1.930 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.854 1.626 -1.813 1.00 0.00 C ATOM 0 H ILE A 72 1.533 4.832 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.857 3.449 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 72 0.448 3.899 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.824 1.643 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.954 2.967 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.669 1.767 -1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.860 3.007 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.421 1.724 -2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.663 0.993 -2.179 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.253 2.352 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.106 1.008 -1.316 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.227 6.109 -2.511 1.00 0.00 N ATOM 1111 CA ASP A 73 -2.261 7.041 -1.991 1.00 0.00 C ATOM 1112 C ASP A 73 -3.191 7.450 -3.133 1.00 0.00 C ATOM 1113 O ASP A 73 -4.384 7.598 -2.954 1.00 0.00 O ATOM 1114 CB ASP A 73 -1.575 8.285 -1.427 1.00 0.00 C ATOM 1115 CG ASP A 73 -0.710 7.896 -0.226 1.00 0.00 C ATOM 1116 OD1 ASP A 73 0.121 8.699 0.165 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.892 6.803 0.279 1.00 0.00 O ATOM 0 H ASP A 73 -0.262 6.401 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.839 6.552 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.959 8.752 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.322 9.020 -1.127 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.653 7.636 -4.308 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.505 8.040 -5.461 1.00 0.00 C ATOM 1124 C ALA A 74 -4.516 6.935 -5.769 1.00 0.00 C ATOM 1125 O ALA A 74 -5.663 7.201 -6.072 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.622 8.278 -6.687 1.00 0.00 C ATOM 0 H ALA A 74 -1.661 7.526 -4.518 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.039 8.957 -5.211 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.244 8.574 -7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.904 9.069 -6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.087 7.361 -6.934 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.106 5.699 -5.698 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.059 4.589 -5.991 1.00 0.00 C ATOM 1134 C PHE A 75 -6.206 4.616 -4.981 1.00 0.00 C ATOM 1135 O PHE A 75 -7.368 4.612 -5.342 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.333 3.249 -5.894 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.271 2.137 -6.301 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -5.987 1.433 -5.324 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -5.425 1.811 -7.653 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -6.856 0.403 -5.702 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -6.295 0.780 -8.031 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.010 0.076 -7.054 1.00 0.00 C ATOM 0 H PHE A 75 -3.159 5.409 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.457 4.716 -6.998 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.454 3.252 -6.539 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.980 3.087 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.869 1.685 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.873 2.354 -8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.408 -0.140 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.414 0.528 -9.075 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.680 -0.719 -7.344 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.891 4.647 -3.716 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.959 4.676 -2.685 1.00 0.00 C ATOM 1154 C VAL A 76 -7.742 5.984 -2.800 1.00 0.00 C ATOM 1155 O VAL A 76 -8.950 6.003 -2.694 1.00 0.00 O ATOM 1156 CB VAL A 76 -6.323 4.574 -1.302 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -7.384 4.836 -0.239 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.747 3.169 -1.108 1.00 0.00 C ATOM 0 H VAL A 76 -4.938 4.653 -3.354 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.639 3.837 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.524 5.310 -1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.933 4.764 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.799 5.835 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.180 4.097 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.292 3.095 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.546 2.433 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.992 2.977 -1.870 1.00 0.00 H new ATOM 1168 N VAL A 77 -7.063 7.077 -3.021 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.764 8.380 -3.144 1.00 0.00 C ATOM 1170 C VAL A 77 -8.779 8.309 -4.286 1.00 0.00 C ATOM 1171 O VAL A 77 -9.878 8.817 -4.188 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.733 9.466 -3.445 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -7.455 10.751 -3.834 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.880 9.719 -2.200 1.00 0.00 C ATOM 0 H VAL A 77 -6.049 7.120 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.286 8.610 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.091 9.143 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.723 11.529 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.065 10.572 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.094 11.072 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.144 10.494 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.520 10.044 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.367 8.800 -1.917 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.414 7.686 -5.371 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.345 7.584 -6.529 1.00 0.00 C ATOM 1186 C GLY A 78 -10.618 6.827 -6.135 1.00 0.00 C ATOM 1187 O GLY A 78 -11.687 7.100 -6.647 1.00 0.00 O ATOM 0 H GLY A 78 -7.506 7.241 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.604 8.582 -6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.852 7.071 -7.355 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.521 5.870 -5.248 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.741 5.100 -4.860 1.00 0.00 C ATOM 1193 C ALA A 79 -12.282 5.591 -3.515 1.00 0.00 C ATOM 1194 O ALA A 79 -13.459 5.861 -3.373 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.387 3.615 -4.748 1.00 0.00 C ATOM 0 H ALA A 79 -9.659 5.590 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.506 5.248 -5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.275 3.050 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.019 3.255 -5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.615 3.481 -3.990 1.00 0.00 H new ATOM 1201 N THR A 80 -11.435 5.713 -2.534 1.00 0.00 N ATOM 1202 CA THR A 80 -11.898 6.192 -1.198 1.00 0.00 C ATOM 1203 C THR A 80 -10.989 7.328 -0.735 1.00 0.00 C ATOM 1204 O THR A 80 -9.848 7.412 -1.131 1.00 0.00 O ATOM 1205 CB THR A 80 -11.832 5.040 -0.191 1.00 0.00 C ATOM 1206 OG1 THR A 80 -10.477 4.799 0.161 1.00 0.00 O ATOM 1207 CG2 THR A 80 -12.432 3.780 -0.815 1.00 0.00 C ATOM 0 H THR A 80 -10.439 5.502 -2.597 1.00 0.00 H new ATOM 0 HA THR A 80 -12.926 6.548 -1.269 1.00 0.00 H new ATOM 0 HB THR A 80 -12.398 5.304 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.433 4.063 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.385 2.961 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.472 3.967 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.868 3.513 -1.709 1.00 0.00 H new ATOM 1215 N THR A 81 -11.479 8.201 0.100 1.00 0.00 N ATOM 1216 CA THR A 81 -10.625 9.323 0.572 1.00 0.00 C ATOM 1217 C THR A 81 -10.837 9.546 2.075 1.00 0.00 C ATOM 1218 O THR A 81 -11.670 10.334 2.477 1.00 0.00 O ATOM 1219 CB THR A 81 -11.003 10.591 -0.194 1.00 0.00 C ATOM 1220 OG1 THR A 81 -10.138 11.652 0.190 1.00 0.00 O ATOM 1221 CG2 THR A 81 -12.451 10.969 0.123 1.00 0.00 C ATOM 0 H THR A 81 -12.428 8.186 0.473 1.00 0.00 H new ATOM 0 HA THR A 81 -9.577 9.083 0.396 1.00 0.00 H new ATOM 0 HB THR A 81 -10.904 10.412 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.318 11.281 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.719 11.873 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.113 10.156 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.554 11.148 1.193 1.00 0.00 H new