USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 922 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 55 ASN :FLIP amide:sc= 0.385 F(o=-0.65,f=0.62) USER MOD Set 1.2: A 59 TYR OH : rot -35:sc= 0.896 USER MOD Set 1.3: A 76 LYS NZ :NH3+ -129:sc= -0.661 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 45 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.4) USER MOD Single : A 13 SER OG : rot 19:sc= 0.628 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -113:sc=-0.00151 (180deg=-0.165) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 0.361 (180deg=0.27) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -76:sc= -1.38 USER MOD Single : A 68 ASN : amide:sc= -1.92 K(o=-1.9,f=-5.6!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -156:sc= 1.04 (180deg=0.139) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 87 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.104) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -109:sc= 0.342 (180deg=-0.0148) USER MOD Single : A 98 LYS NZ :NH3+ -172:sc=-0.00362 (180deg=-0.054) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS :FLIP no HE2:sc= -0.193 F(o=-1.3,f=-0.19) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -170:sc= -1.79 (180deg=-2.06) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.0507 X(o=-0.051,f=-0.42) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N ILE A 6 120.306 13.719 6.830 1.00 0.00 N ATOM 95 CA ILE A 6 120.401 13.636 5.337 1.00 0.00 C ATOM 96 C ILE A 6 121.537 12.679 4.961 1.00 0.00 C ATOM 97 O ILE A 6 122.617 12.755 5.524 1.00 0.00 O ATOM 98 CB ILE A 6 120.721 15.063 4.841 1.00 0.00 C ATOM 99 CG1 ILE A 6 119.716 16.108 5.376 1.00 0.00 C ATOM 100 CG2 ILE A 6 120.719 15.101 3.307 1.00 0.00 C ATOM 101 CD1 ILE A 6 118.272 15.769 4.979 1.00 0.00 C ATOM 0 HA ILE A 6 119.479 13.266 4.889 1.00 0.00 H new ATOM 0 HB ILE A 6 121.709 15.320 5.223 1.00 0.00 H new ATOM 0 HG12 ILE A 6 119.791 16.161 6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 6 119.977 17.093 4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 6 120.946 16.112 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 6 121.473 14.412 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 6 119.737 14.806 2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 6 117.598 16.529 5.375 1.00 0.00 H new ATOM 0 HD12 ILE A 6 118.190 15.742 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 6 118.001 14.795 5.387 1.00 0.00 H new ATOM 113 N ILE A 7 121.298 11.790 4.024 1.00 0.00 N ATOM 114 CA ILE A 7 122.397 10.920 3.488 1.00 0.00 C ATOM 115 C ILE A 7 122.371 10.961 1.954 1.00 0.00 C ATOM 116 O ILE A 7 121.321 11.103 1.357 1.00 0.00 O ATOM 117 CB ILE A 7 122.132 9.498 4.022 1.00 0.00 C ATOM 118 CG1 ILE A 7 122.118 9.502 5.559 1.00 0.00 C ATOM 119 CG2 ILE A 7 123.240 8.544 3.553 1.00 0.00 C ATOM 120 CD1 ILE A 7 121.574 8.170 6.085 1.00 0.00 C ATOM 0 H ILE A 7 120.382 11.629 3.605 1.00 0.00 H new ATOM 0 HA ILE A 7 123.384 11.258 3.805 1.00 0.00 H new ATOM 0 HB ILE A 7 121.166 9.166 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 7 123.126 9.667 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 7 121.502 10.324 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 7 123.044 7.542 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 7 123.261 8.519 2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 7 124.203 8.893 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 7 121.569 8.184 7.175 1.00 0.00 H new ATOM 0 HD12 ILE A 7 120.558 8.022 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 7 122.208 7.355 5.736 1.00 0.00 H new ATOM 132 N GLU A 8 123.522 10.837 1.331 1.00 0.00 N ATOM 133 CA GLU A 8 123.599 10.811 -0.162 1.00 0.00 C ATOM 134 C GLU A 8 123.998 9.413 -0.647 1.00 0.00 C ATOM 135 O GLU A 8 124.779 8.737 -0.003 1.00 0.00 O ATOM 136 CB GLU A 8 124.682 11.831 -0.523 1.00 0.00 C ATOM 137 CG GLU A 8 124.200 13.241 -0.174 1.00 0.00 C ATOM 138 CD GLU A 8 125.247 14.267 -0.613 1.00 0.00 C ATOM 139 OE1 GLU A 8 125.752 14.138 -1.717 1.00 0.00 O ATOM 140 OE2 GLU A 8 125.527 15.166 0.163 1.00 0.00 O ATOM 0 H GLU A 8 124.422 10.752 1.804 1.00 0.00 H new ATOM 0 HA GLU A 8 122.643 11.049 -0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 8 125.601 11.606 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 8 124.914 11.768 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 8 123.249 13.443 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 8 124.026 13.321 0.899 1.00 0.00 H new ATOM 147 N GLY A 9 123.465 8.991 -1.773 1.00 0.00 N ATOM 148 CA GLY A 9 123.810 7.651 -2.341 1.00 0.00 C ATOM 149 C GLY A 9 123.986 7.768 -3.858 1.00 0.00 C ATOM 150 O GLY A 9 123.373 8.613 -4.486 1.00 0.00 O ATOM 0 H GLY A 9 122.797 9.528 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 9 124.727 7.277 -1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 9 123.023 6.933 -2.110 1.00 0.00 H new ATOM 154 N GLU A 10 124.812 6.924 -4.434 1.00 0.00 N ATOM 155 CA GLU A 10 125.048 6.960 -5.911 1.00 0.00 C ATOM 156 C GLU A 10 124.361 5.770 -6.587 1.00 0.00 C ATOM 157 O GLU A 10 124.348 4.676 -6.049 1.00 0.00 O ATOM 158 CB GLU A 10 126.565 6.871 -6.083 1.00 0.00 C ATOM 159 CG GLU A 10 126.931 7.162 -7.541 1.00 0.00 C ATOM 160 CD GLU A 10 128.432 6.948 -7.747 1.00 0.00 C ATOM 161 OE1 GLU A 10 128.942 5.949 -7.267 1.00 0.00 O ATOM 162 OE2 GLU A 10 129.048 7.789 -8.381 1.00 0.00 O ATOM 0 H GLU A 10 125.337 6.205 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 10 124.643 7.863 -6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 10 127.059 7.584 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 10 126.916 5.879 -5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 10 126.366 6.508 -8.206 1.00 0.00 H new ATOM 0 HG3 GLU A 10 126.661 8.187 -7.796 1.00 0.00 H new ATOM 169 N VAL A 11 123.799 5.985 -7.757 1.00 0.00 N ATOM 170 CA VAL A 11 123.111 4.881 -8.516 1.00 0.00 C ATOM 171 C VAL A 11 124.131 3.793 -8.889 1.00 0.00 C ATOM 172 O VAL A 11 125.101 4.071 -9.570 1.00 0.00 O ATOM 173 CB VAL A 11 122.523 5.514 -9.796 1.00 0.00 C ATOM 174 CG1 VAL A 11 121.703 4.476 -10.571 1.00 0.00 C ATOM 175 CG2 VAL A 11 121.606 6.694 -9.451 1.00 0.00 C ATOM 0 H VAL A 11 123.787 6.891 -8.226 1.00 0.00 H new ATOM 0 HA VAL A 11 122.327 4.420 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 11 123.357 5.866 -10.404 1.00 0.00 H new ATOM 0 HG11 VAL A 11 121.294 4.934 -11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 11 122.344 3.640 -10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 11 120.887 4.115 -9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 11 121.204 7.123 -10.369 1.00 0.00 H new ATOM 0 HG22 VAL A 11 120.785 6.346 -8.824 1.00 0.00 H new ATOM 0 HG23 VAL A 11 122.176 7.453 -8.915 1.00 0.00 H new ATOM 185 N VAL A 12 123.906 2.577 -8.448 1.00 0.00 N ATOM 186 CA VAL A 12 124.813 1.440 -8.806 1.00 0.00 C ATOM 187 C VAL A 12 123.998 0.264 -9.355 1.00 0.00 C ATOM 188 O VAL A 12 122.863 0.062 -8.959 1.00 0.00 O ATOM 189 CB VAL A 12 125.552 1.044 -7.512 1.00 0.00 C ATOM 190 CG1 VAL A 12 126.427 2.210 -7.046 1.00 0.00 C ATOM 191 CG2 VAL A 12 124.568 0.677 -6.392 1.00 0.00 C ATOM 0 H VAL A 12 123.122 2.322 -7.847 1.00 0.00 H new ATOM 0 HA VAL A 12 125.523 1.726 -9.582 1.00 0.00 H new ATOM 0 HB VAL A 12 126.166 0.171 -7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 12 126.949 1.930 -6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 12 127.155 2.451 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 12 125.800 3.081 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 12 125.123 0.403 -5.495 1.00 0.00 H new ATOM 0 HG22 VAL A 12 123.928 1.532 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 12 123.953 -0.165 -6.709 1.00 0.00 H new ATOM 201 N SER A 13 124.574 -0.498 -10.258 1.00 0.00 N ATOM 202 CA SER A 13 123.864 -1.688 -10.829 1.00 0.00 C ATOM 203 C SER A 13 124.099 -2.917 -9.946 1.00 0.00 C ATOM 204 O SER A 13 125.226 -3.216 -9.588 1.00 0.00 O ATOM 205 CB SER A 13 124.472 -1.906 -12.219 1.00 0.00 C ATOM 206 OG SER A 13 125.828 -2.309 -12.079 1.00 0.00 O ATOM 0 H SER A 13 125.513 -0.344 -10.626 1.00 0.00 H new ATOM 0 HA SER A 13 122.787 -1.529 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 13 123.908 -2.666 -12.760 1.00 0.00 H new ATOM 0 HB3 SER A 13 124.412 -0.988 -12.803 1.00 0.00 H new ATOM 0 HG SER A 13 125.978 -2.642 -11.170 1.00 0.00 H new ATOM 486 N PHE A 31 103.296 -4.745 0.846 1.00 0.00 N ATOM 487 CA PHE A 31 103.858 -3.372 0.611 1.00 0.00 C ATOM 488 C PHE A 31 102.753 -2.314 0.720 1.00 0.00 C ATOM 489 O PHE A 31 102.963 -1.267 1.302 1.00 0.00 O ATOM 490 CB PHE A 31 104.465 -3.388 -0.799 1.00 0.00 C ATOM 491 CG PHE A 31 105.919 -3.801 -0.827 1.00 0.00 C ATOM 492 CD1 PHE A 31 106.862 -3.172 0.046 1.00 0.00 C ATOM 493 CD2 PHE A 31 106.354 -4.822 -1.730 1.00 0.00 C ATOM 494 CE1 PHE A 31 108.236 -3.564 0.017 1.00 0.00 C ATOM 495 CE2 PHE A 31 107.727 -5.213 -1.759 1.00 0.00 C ATOM 496 CZ PHE A 31 108.669 -4.585 -0.886 1.00 0.00 C ATOM 0 HA PHE A 31 104.612 -3.119 1.356 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.890 -4.070 -1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 31 104.369 -2.395 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 31 106.535 -2.400 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 31 105.643 -5.297 -2.390 1.00 0.00 H new ATOM 0 HE1 PHE A 31 108.947 -3.089 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 31 108.054 -5.984 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 31 109.707 -4.882 -0.908 1.00 0.00 H new ATOM 506 N LYS A 32 101.592 -2.588 0.167 1.00 0.00 N ATOM 507 CA LYS A 32 100.454 -1.611 0.234 1.00 0.00 C ATOM 508 C LYS A 32 99.978 -1.429 1.679 1.00 0.00 C ATOM 509 O LYS A 32 99.539 -0.355 2.050 1.00 0.00 O ATOM 510 CB LYS A 32 99.328 -2.199 -0.627 1.00 0.00 C ATOM 511 CG LYS A 32 98.235 -1.148 -0.834 1.00 0.00 C ATOM 512 CD LYS A 32 97.164 -1.699 -1.776 1.00 0.00 C ATOM 513 CE LYS A 32 96.337 -2.762 -1.048 1.00 0.00 C ATOM 514 NZ LYS A 32 95.259 -3.133 -2.006 1.00 0.00 N ATOM 0 H LYS A 32 101.383 -3.453 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 32 100.761 -0.630 -0.128 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.724 -2.521 -1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.910 -3.082 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.788 -0.880 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.666 -0.238 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 32 96.517 -0.892 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 32 97.631 -2.131 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 32 96.947 -3.626 -0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 32 95.922 -2.372 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 94.649 -3.859 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 94.690 -2.292 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 95.684 -3.508 -2.878 1.00 0.00 H new ATOM 528 N LYS A 33 100.061 -2.468 2.480 1.00 0.00 N ATOM 529 CA LYS A 33 99.662 -2.356 3.922 1.00 0.00 C ATOM 530 C LYS A 33 100.651 -1.472 4.689 1.00 0.00 C ATOM 531 O LYS A 33 100.247 -0.678 5.520 1.00 0.00 O ATOM 532 CB LYS A 33 99.668 -3.781 4.485 1.00 0.00 C ATOM 533 CG LYS A 33 99.020 -3.790 5.871 1.00 0.00 C ATOM 534 CD LYS A 33 97.501 -3.655 5.726 1.00 0.00 C ATOM 535 CE LYS A 33 96.846 -3.748 7.105 1.00 0.00 C ATOM 536 NZ LYS A 33 95.439 -3.311 6.892 1.00 0.00 N ATOM 0 H LYS A 33 100.389 -3.391 2.196 1.00 0.00 H new ATOM 0 HA LYS A 33 98.679 -1.896 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 33 99.127 -4.449 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 33 100.691 -4.153 4.548 1.00 0.00 H new ATOM 0 HG2 LYS A 33 99.265 -4.715 6.393 1.00 0.00 H new ATOM 0 HG3 LYS A 33 99.413 -2.971 6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 33 97.253 -2.703 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 33 97.116 -4.440 5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 33 96.889 -4.765 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 33 97.353 -3.108 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 94.924 -3.348 7.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 95.429 -2.337 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 94.980 -3.943 6.205 1.00 0.00 H new ATOM 550 N ILE A 34 101.928 -1.605 4.410 1.00 0.00 N ATOM 551 CA ILE A 34 102.969 -0.837 5.172 1.00 0.00 C ATOM 552 C ILE A 34 103.081 0.585 4.603 1.00 0.00 C ATOM 553 O ILE A 34 103.287 1.529 5.345 1.00 0.00 O ATOM 554 CB ILE A 34 104.296 -1.606 5.010 1.00 0.00 C ATOM 555 CG1 ILE A 34 104.155 -3.049 5.514 1.00 0.00 C ATOM 556 CG2 ILE A 34 105.406 -0.927 5.822 1.00 0.00 C ATOM 557 CD1 ILE A 34 105.329 -3.883 4.998 1.00 0.00 C ATOM 0 H ILE A 34 102.297 -2.217 3.682 1.00 0.00 H new ATOM 0 HA ILE A 34 102.711 -0.747 6.227 1.00 0.00 H new ATOM 0 HB ILE A 34 104.548 -1.607 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 34 104.134 -3.065 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 34 103.213 -3.476 5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 34 106.337 -1.480 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 34 105.542 0.095 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.129 -0.913 6.876 1.00 0.00 H new ATOM 0 HD11 ILE A 34 105.231 -4.908 5.355 1.00 0.00 H new ATOM 0 HD12 ILE A 34 105.329 -3.876 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 34 106.265 -3.459 5.363 1.00 0.00 H new ATOM 569 N LEU A 35 102.943 0.732 3.306 1.00 0.00 N ATOM 570 CA LEU A 35 103.171 2.058 2.646 1.00 0.00 C ATOM 571 C LEU A 35 101.849 2.736 2.269 1.00 0.00 C ATOM 572 O LEU A 35 101.788 3.951 2.182 1.00 0.00 O ATOM 573 CB LEU A 35 103.957 1.739 1.374 1.00 0.00 C ATOM 574 CG LEU A 35 105.339 1.186 1.724 1.00 0.00 C ATOM 575 CD1 LEU A 35 105.930 0.496 0.493 1.00 0.00 C ATOM 576 CD2 LEU A 35 106.254 2.335 2.154 1.00 0.00 C ATOM 0 H LEU A 35 102.679 -0.020 2.669 1.00 0.00 H new ATOM 0 HA LEU A 35 103.696 2.741 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 35 103.409 1.013 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 35 104.062 2.639 0.768 1.00 0.00 H new ATOM 0 HG LEU A 35 105.252 0.469 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 35 106.916 0.100 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.277 -0.320 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.019 1.216 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 35 107.239 1.942 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.346 3.052 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.830 2.831 3.027 1.00 0.00 H new ATOM 588 N GLY A 36 100.806 1.968 2.049 1.00 0.00 N ATOM 589 CA GLY A 36 99.527 2.534 1.521 1.00 0.00 C ATOM 590 C GLY A 36 99.565 2.678 -0.009 1.00 0.00 C ATOM 591 O GLY A 36 98.732 3.373 -0.565 1.00 0.00 O ATOM 0 H GLY A 36 100.789 0.962 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 36 98.697 1.888 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 36 99.344 3.508 1.975 1.00 0.00 H new ATOM 595 N PHE A 37 100.505 2.047 -0.692 1.00 0.00 N ATOM 596 CA PHE A 37 100.455 1.988 -2.187 1.00 0.00 C ATOM 597 C PHE A 37 101.139 0.717 -2.704 1.00 0.00 C ATOM 598 O PHE A 37 101.913 0.098 -1.995 1.00 0.00 O ATOM 599 CB PHE A 37 101.172 3.253 -2.681 1.00 0.00 C ATOM 600 CG PHE A 37 102.647 3.340 -2.347 1.00 0.00 C ATOM 601 CD1 PHE A 37 103.590 2.518 -3.041 1.00 0.00 C ATOM 602 CD2 PHE A 37 103.101 4.260 -1.353 1.00 0.00 C ATOM 603 CE1 PHE A 37 104.982 2.614 -2.741 1.00 0.00 C ATOM 604 CE2 PHE A 37 104.496 4.356 -1.049 1.00 0.00 C ATOM 605 CZ PHE A 37 105.437 3.531 -1.743 1.00 0.00 C ATOM 0 H PHE A 37 101.303 1.572 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 37 99.430 1.951 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 37 101.058 3.315 -3.763 1.00 0.00 H new ATOM 0 HB3 PHE A 37 100.670 4.123 -2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 37 103.248 1.823 -3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 37 102.391 4.884 -0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 37 105.692 1.994 -3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 37 104.838 5.051 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 37 106.490 3.601 -1.513 1.00 0.00 H new ATOM 615 N GLU A 38 100.855 0.340 -3.930 1.00 0.00 N ATOM 616 CA GLU A 38 101.500 -0.865 -4.539 1.00 0.00 C ATOM 617 C GLU A 38 102.743 -0.442 -5.343 1.00 0.00 C ATOM 618 O GLU A 38 102.584 0.143 -6.398 1.00 0.00 O ATOM 619 CB GLU A 38 100.442 -1.462 -5.471 1.00 0.00 C ATOM 620 CG GLU A 38 99.303 -2.054 -4.638 1.00 0.00 C ATOM 621 CD GLU A 38 98.333 -2.799 -5.555 1.00 0.00 C ATOM 622 OE1 GLU A 38 98.796 -3.609 -6.340 1.00 0.00 O ATOM 623 OE2 GLU A 38 97.143 -2.547 -5.457 1.00 0.00 O ATOM 0 H GLU A 38 100.196 0.823 -4.540 1.00 0.00 H new ATOM 0 HA GLU A 38 101.827 -1.582 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 38 100.056 -0.693 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 38 100.888 -2.234 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 99.704 -2.734 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 38 98.779 -1.261 -4.104 1.00 0.00 H new ATOM 630 N PRO A 39 103.937 -0.736 -4.847 1.00 0.00 N ATOM 631 CA PRO A 39 105.182 -0.286 -5.545 1.00 0.00 C ATOM 632 C PRO A 39 105.336 -1.014 -6.886 1.00 0.00 C ATOM 633 O PRO A 39 104.772 -2.076 -7.081 1.00 0.00 O ATOM 634 CB PRO A 39 106.293 -0.684 -4.573 1.00 0.00 C ATOM 635 CG PRO A 39 105.719 -1.849 -3.849 1.00 0.00 C ATOM 636 CD PRO A 39 104.280 -1.497 -3.625 1.00 0.00 C ATOM 0 HA PRO A 39 105.187 0.779 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 39 107.210 -0.950 -5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 39 106.541 0.130 -3.892 1.00 0.00 H new ATOM 0 HG2 PRO A 39 105.815 -2.763 -4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 39 106.235 -2.020 -2.904 1.00 0.00 H new ATOM 0 HD2 PRO A 39 103.658 -2.385 -3.514 1.00 0.00 H new ATOM 0 HD3 PRO A 39 104.145 -0.899 -2.724 1.00 0.00 H new ATOM 644 N TYR A 40 106.094 -0.443 -7.794 1.00 0.00 N ATOM 645 CA TYR A 40 106.295 -1.074 -9.141 1.00 0.00 C ATOM 646 C TYR A 40 107.229 -2.279 -9.018 1.00 0.00 C ATOM 647 O TYR A 40 107.931 -2.419 -8.031 1.00 0.00 O ATOM 648 CB TYR A 40 106.940 -0.002 -10.025 1.00 0.00 C ATOM 649 CG TYR A 40 107.083 -0.420 -11.470 1.00 0.00 C ATOM 650 CD1 TYR A 40 106.032 -0.148 -12.400 1.00 0.00 C ATOM 651 CD2 TYR A 40 108.269 -1.086 -11.907 1.00 0.00 C ATOM 652 CE1 TYR A 40 106.168 -0.545 -13.767 1.00 0.00 C ATOM 653 CE2 TYR A 40 108.406 -1.483 -13.273 1.00 0.00 C ATOM 654 CZ TYR A 40 107.355 -1.212 -14.204 1.00 0.00 C ATOM 655 OH TYR A 40 107.484 -1.593 -15.522 1.00 0.00 O ATOM 0 H TYR A 40 106.586 0.440 -7.659 1.00 0.00 H new ATOM 0 HA TYR A 40 105.352 -1.423 -9.562 1.00 0.00 H new ATOM 0 HB2 TYR A 40 106.341 0.907 -9.975 1.00 0.00 H new ATOM 0 HB3 TYR A 40 107.925 0.243 -9.626 1.00 0.00 H new ATOM 0 HD1 TYR A 40 105.136 0.357 -12.070 1.00 0.00 H new ATOM 0 HD2 TYR A 40 109.063 -1.290 -11.204 1.00 0.00 H new ATOM 0 HE1 TYR A 40 105.374 -0.341 -14.470 1.00 0.00 H new ATOM 0 HE2 TYR A 40 109.303 -1.987 -13.602 1.00 0.00 H new ATOM 0 HH TYR A 40 108.350 -2.033 -15.652 1.00 0.00 H new ATOM 665 N GLU A 41 107.240 -3.140 -10.014 1.00 0.00 N ATOM 666 CA GLU A 41 108.135 -4.341 -9.972 1.00 0.00 C ATOM 667 C GLU A 41 109.563 -3.938 -10.371 1.00 0.00 C ATOM 668 O GLU A 41 109.992 -4.143 -11.497 1.00 0.00 O ATOM 669 CB GLU A 41 107.540 -5.337 -10.976 1.00 0.00 C ATOM 670 CG GLU A 41 106.175 -5.817 -10.475 1.00 0.00 C ATOM 671 CD GLU A 41 105.616 -6.872 -11.433 1.00 0.00 C ATOM 672 OE1 GLU A 41 106.370 -7.743 -11.832 1.00 0.00 O ATOM 673 OE2 GLU A 41 104.441 -6.789 -11.750 1.00 0.00 O ATOM 0 H GLU A 41 106.666 -3.060 -10.854 1.00 0.00 H new ATOM 0 HA GLU A 41 108.194 -4.779 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 41 107.435 -4.865 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 41 108.211 -6.186 -11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 41 106.271 -6.236 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 41 105.486 -4.975 -10.404 1.00 0.00 H new ATOM 680 N GLY A 42 110.290 -3.362 -9.442 1.00 0.00 N ATOM 681 CA GLY A 42 111.727 -3.019 -9.673 1.00 0.00 C ATOM 682 C GLY A 42 112.309 -2.393 -8.403 1.00 0.00 C ATOM 683 O GLY A 42 111.582 -2.118 -7.465 1.00 0.00 O ATOM 0 H GLY A 42 109.940 -3.112 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 42 112.288 -3.914 -9.941 1.00 0.00 H new ATOM 0 HA3 GLY A 42 111.817 -2.325 -10.509 1.00 0.00 H new ATOM 687 N THR A 43 113.605 -2.176 -8.375 1.00 0.00 N ATOM 688 CA THR A 43 114.252 -1.531 -7.190 1.00 0.00 C ATOM 689 C THR A 43 115.299 -0.505 -7.632 1.00 0.00 C ATOM 690 O THR A 43 115.824 -0.578 -8.728 1.00 0.00 O ATOM 691 CB THR A 43 114.923 -2.660 -6.397 1.00 0.00 C ATOM 692 OG1 THR A 43 115.513 -3.607 -7.280 1.00 0.00 O ATOM 693 CG2 THR A 43 113.884 -3.354 -5.513 1.00 0.00 C ATOM 0 H THR A 43 114.245 -2.421 -9.130 1.00 0.00 H new ATOM 0 HA THR A 43 113.515 -1.000 -6.587 1.00 0.00 H new ATOM 0 HB THR A 43 115.707 -2.232 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 43 115.938 -4.320 -6.759 1.00 0.00 H new ATOM 0 HG21 THR A 43 114.362 -4.156 -4.950 1.00 0.00 H new ATOM 0 HG22 THR A 43 113.454 -2.631 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 43 113.094 -3.771 -6.138 1.00 0.00 H new ATOM 701 N LEU A 44 115.591 0.445 -6.773 1.00 0.00 N ATOM 702 CA LEU A 44 116.731 1.381 -7.001 1.00 0.00 C ATOM 703 C LEU A 44 117.840 1.054 -5.997 1.00 0.00 C ATOM 704 O LEU A 44 117.639 1.172 -4.803 1.00 0.00 O ATOM 705 CB LEU A 44 116.149 2.775 -6.745 1.00 0.00 C ATOM 706 CG LEU A 44 117.196 3.854 -7.045 1.00 0.00 C ATOM 707 CD1 LEU A 44 117.435 3.934 -8.554 1.00 0.00 C ATOM 708 CD2 LEU A 44 116.693 5.206 -6.539 1.00 0.00 C ATOM 0 H LEU A 44 115.075 0.611 -5.909 1.00 0.00 H new ATOM 0 HA LEU A 44 117.161 1.310 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 44 115.269 2.929 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 44 115.822 2.855 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 44 118.130 3.600 -6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 44 118.180 4.702 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 44 117.794 2.971 -8.917 1.00 0.00 H new ATOM 0 HD13 LEU A 44 116.502 4.186 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 44 117.437 5.974 -6.752 1.00 0.00 H new ATOM 0 HD22 LEU A 44 115.758 5.457 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 116.525 5.152 -5.463 1.00 0.00 H new ATOM 720 N ASN A 45 118.991 0.649 -6.481 1.00 0.00 N ATOM 721 CA ASN A 45 120.105 0.245 -5.571 1.00 0.00 C ATOM 722 C ASN A 45 121.100 1.398 -5.419 1.00 0.00 C ATOM 723 O ASN A 45 121.651 1.871 -6.397 1.00 0.00 O ATOM 724 CB ASN A 45 120.773 -0.946 -6.262 1.00 0.00 C ATOM 725 CG ASN A 45 119.902 -2.192 -6.093 1.00 0.00 C ATOM 726 OD1 ASN A 45 118.749 -2.199 -6.473 1.00 0.00 O ATOM 727 ND2 ASN A 45 120.412 -3.256 -5.535 1.00 0.00 N ATOM 0 H ASN A 45 119.205 0.581 -7.476 1.00 0.00 H new ATOM 0 HA ASN A 45 119.751 -0.010 -4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.917 -0.731 -7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.761 -1.120 -5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.842 -4.094 -5.418 1.00 0.00 H new ATOM 0 HD22 ASN A 45 121.381 -3.250 -5.216 1.00 0.00 H new ATOM 734 N LEU A 46 121.327 1.839 -4.203 1.00 0.00 N ATOM 735 CA LEU A 46 122.263 2.981 -3.958 1.00 0.00 C ATOM 736 C LEU A 46 123.411 2.550 -3.041 1.00 0.00 C ATOM 737 O LEU A 46 123.196 1.877 -2.047 1.00 0.00 O ATOM 738 CB LEU A 46 121.418 4.064 -3.283 1.00 0.00 C ATOM 739 CG LEU A 46 120.508 4.727 -4.321 1.00 0.00 C ATOM 740 CD1 LEU A 46 119.475 5.601 -3.607 1.00 0.00 C ATOM 741 CD2 LEU A 46 121.346 5.599 -5.259 1.00 0.00 C ATOM 0 H LEU A 46 120.899 1.451 -3.362 1.00 0.00 H new ATOM 0 HA LEU A 46 122.715 3.337 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 46 120.818 3.627 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 46 122.065 4.810 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 46 120.000 3.956 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 46 118.826 6.074 -4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 46 118.875 4.983 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 46 119.987 6.370 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 46 120.696 6.069 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 46 121.856 6.370 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 46 122.084 4.980 -5.769 1.00 0.00 H new ATOM 753 N LYS A 47 124.617 2.939 -3.385 1.00 0.00 N ATOM 754 CA LYS A 47 125.793 2.710 -2.488 1.00 0.00 C ATOM 755 C LYS A 47 126.045 3.973 -1.660 1.00 0.00 C ATOM 756 O LYS A 47 126.052 5.067 -2.195 1.00 0.00 O ATOM 757 CB LYS A 47 126.968 2.435 -3.431 1.00 0.00 C ATOM 758 CG LYS A 47 128.199 2.019 -2.623 1.00 0.00 C ATOM 759 CD LYS A 47 129.411 1.935 -3.551 1.00 0.00 C ATOM 760 CE LYS A 47 130.612 1.384 -2.777 1.00 0.00 C ATOM 761 NZ LYS A 47 131.102 2.531 -1.962 1.00 0.00 N ATOM 0 H LYS A 47 124.838 3.412 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 47 125.642 1.885 -1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 47 126.703 1.648 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 47 127.191 3.326 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 47 128.386 2.740 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS A 47 128.025 1.055 -2.145 1.00 0.00 H new ATOM 0 HD2 LYS A 47 129.187 1.291 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 47 129.645 2.922 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 47 130.323 0.545 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 47 131.386 1.021 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 132.041 2.823 -2.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 130.439 3.328 -2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 131.169 2.245 -0.964 1.00 0.00 H new ATOM 775 N LEU A 48 126.250 3.817 -0.373 1.00 0.00 N ATOM 776 CA LEU A 48 126.425 4.994 0.532 1.00 0.00 C ATOM 777 C LEU A 48 127.859 5.054 1.064 1.00 0.00 C ATOM 778 O LEU A 48 128.570 4.065 1.045 1.00 0.00 O ATOM 779 CB LEU A 48 125.456 4.774 1.696 1.00 0.00 C ATOM 780 CG LEU A 48 124.007 4.801 1.198 1.00 0.00 C ATOM 781 CD1 LEU A 48 123.082 4.329 2.320 1.00 0.00 C ATOM 782 CD2 LEU A 48 123.629 6.229 0.795 1.00 0.00 C ATOM 0 H LEU A 48 126.304 2.911 0.093 1.00 0.00 H new ATOM 0 HA LEU A 48 126.230 5.928 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 48 125.665 3.817 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 48 125.602 5.547 2.450 1.00 0.00 H new ATOM 0 HG LEU A 48 123.905 4.143 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 48 122.049 4.346 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 48 123.350 3.313 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 48 123.186 4.991 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 48 122.598 6.246 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 48 123.728 6.889 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 48 124.292 6.570 -0.001 1.00 0.00 H new ATOM 794 N ASP A 49 128.270 6.210 1.530 1.00 0.00 N ATOM 795 CA ASP A 49 129.579 6.330 2.248 1.00 0.00 C ATOM 796 C ASP A 49 129.424 6.099 3.764 1.00 0.00 C ATOM 797 O ASP A 49 130.334 6.400 4.517 1.00 0.00 O ATOM 798 CB ASP A 49 130.093 7.749 1.951 1.00 0.00 C ATOM 799 CG ASP A 49 129.126 8.824 2.469 1.00 0.00 C ATOM 800 OD1 ASP A 49 127.972 8.795 2.076 1.00 0.00 O ATOM 801 OD2 ASP A 49 129.561 9.656 3.249 1.00 0.00 O ATOM 0 H ASP A 49 127.750 7.083 1.443 1.00 0.00 H new ATOM 0 HA ASP A 49 130.282 5.570 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 49 131.071 7.886 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 49 130.229 7.869 0.876 1.00 0.00 H new ATOM 806 N ARG A 50 128.299 5.574 4.210 1.00 0.00 N ATOM 807 CA ARG A 50 128.063 5.364 5.671 1.00 0.00 C ATOM 808 C ARG A 50 127.237 4.092 5.881 1.00 0.00 C ATOM 809 O ARG A 50 126.310 3.829 5.136 1.00 0.00 O ATOM 810 CB ARG A 50 127.273 6.590 6.138 1.00 0.00 C ATOM 811 CG ARG A 50 128.143 7.845 6.040 1.00 0.00 C ATOM 812 CD ARG A 50 127.389 9.031 6.652 1.00 0.00 C ATOM 813 NE ARG A 50 128.235 10.240 6.379 1.00 0.00 N ATOM 814 CZ ARG A 50 128.180 11.331 7.121 1.00 0.00 C ATOM 815 NH1 ARG A 50 127.362 11.465 8.141 1.00 0.00 N ATOM 816 NH2 ARG A 50 128.964 12.328 6.819 1.00 0.00 N ATOM 0 H ARG A 50 127.528 5.280 3.610 1.00 0.00 H new ATOM 0 HA ARG A 50 128.994 5.250 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 50 126.378 6.710 5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 50 126.941 6.448 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 50 129.086 7.690 6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 50 128.387 8.052 4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 50 126.400 9.137 6.206 1.00 0.00 H new ATOM 0 HD3 ARG A 50 127.242 8.890 7.723 1.00 0.00 H new ATOM 0 HE ARG A 50 128.879 10.218 5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 50 126.730 10.704 8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 50 127.359 12.330 8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 50 129.600 12.254 6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 50 128.941 13.182 7.376 1.00 0.00 H new ATOM 830 N GLU A 51 127.571 3.310 6.885 1.00 0.00 N ATOM 831 CA GLU A 51 126.791 2.062 7.195 1.00 0.00 C ATOM 832 C GLU A 51 125.338 2.401 7.564 1.00 0.00 C ATOM 833 O GLU A 51 125.077 3.438 8.147 1.00 0.00 O ATOM 834 CB GLU A 51 127.515 1.366 8.362 1.00 0.00 C ATOM 835 CG GLU A 51 127.580 2.271 9.603 1.00 0.00 C ATOM 836 CD GLU A 51 126.360 2.026 10.496 1.00 0.00 C ATOM 837 OE1 GLU A 51 126.012 0.872 10.687 1.00 0.00 O ATOM 838 OE2 GLU A 51 125.795 2.996 10.973 1.00 0.00 O ATOM 0 H GLU A 51 128.358 3.485 7.509 1.00 0.00 H new ATOM 0 HA GLU A 51 126.743 1.406 6.326 1.00 0.00 H new ATOM 0 HB2 GLU A 51 126.998 0.440 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 51 128.525 1.094 8.055 1.00 0.00 H new ATOM 0 HG2 GLU A 51 128.495 2.072 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 51 127.614 3.317 9.299 1.00 0.00 H new ATOM 845 N PHE A 52 124.414 1.531 7.227 1.00 0.00 N ATOM 846 CA PHE A 52 122.971 1.773 7.543 1.00 0.00 C ATOM 847 C PHE A 52 122.348 0.530 8.184 1.00 0.00 C ATOM 848 O PHE A 52 122.579 -0.581 7.742 1.00 0.00 O ATOM 849 CB PHE A 52 122.310 2.070 6.195 1.00 0.00 C ATOM 850 CG PHE A 52 120.849 2.436 6.309 1.00 0.00 C ATOM 851 CD1 PHE A 52 119.880 1.424 6.591 1.00 0.00 C ATOM 852 CD2 PHE A 52 120.433 3.794 6.136 1.00 0.00 C ATOM 853 CE1 PHE A 52 118.497 1.768 6.703 1.00 0.00 C ATOM 854 CE2 PHE A 52 119.050 4.138 6.246 1.00 0.00 C ATOM 855 CZ PHE A 52 118.084 3.126 6.530 1.00 0.00 C ATOM 0 H PHE A 52 124.602 0.654 6.741 1.00 0.00 H new ATOM 0 HA PHE A 52 122.839 2.592 8.250 1.00 0.00 H new ATOM 0 HB2 PHE A 52 122.844 2.886 5.709 1.00 0.00 H new ATOM 0 HB3 PHE A 52 122.409 1.197 5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 52 120.193 0.398 6.720 1.00 0.00 H new ATOM 0 HD2 PHE A 52 121.164 4.559 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 52 117.765 1.003 6.918 1.00 0.00 H new ATOM 0 HE2 PHE A 52 118.736 5.163 6.114 1.00 0.00 H new ATOM 0 HZ PHE A 52 117.039 3.387 6.614 1.00 0.00 H new ATOM 865 N ASP A 53 121.566 0.724 9.222 1.00 0.00 N ATOM 866 CA ASP A 53 120.817 -0.402 9.857 1.00 0.00 C ATOM 867 C ASP A 53 119.394 0.051 10.198 1.00 0.00 C ATOM 868 O ASP A 53 119.211 1.044 10.879 1.00 0.00 O ATOM 869 CB ASP A 53 121.598 -0.733 11.128 1.00 0.00 C ATOM 870 CG ASP A 53 121.089 -2.050 11.717 1.00 0.00 C ATOM 871 OD1 ASP A 53 119.882 -2.216 11.792 1.00 0.00 O ATOM 872 OD2 ASP A 53 121.914 -2.870 12.085 1.00 0.00 O ATOM 0 H ASP A 53 121.415 1.632 9.661 1.00 0.00 H new ATOM 0 HA ASP A 53 120.730 -1.269 9.202 1.00 0.00 H new ATOM 0 HB2 ASP A 53 122.662 -0.811 10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 53 121.484 0.070 11.856 1.00 0.00 H new ATOM 877 N ILE A 54 118.400 -0.673 9.729 1.00 0.00 N ATOM 878 CA ILE A 54 116.972 -0.276 9.976 1.00 0.00 C ATOM 879 C ILE A 54 116.633 -0.319 11.479 1.00 0.00 C ATOM 880 O ILE A 54 115.726 0.367 11.918 1.00 0.00 O ATOM 881 CB ILE A 54 116.105 -1.250 9.149 1.00 0.00 C ATOM 882 CG1 ILE A 54 114.631 -0.839 9.248 1.00 0.00 C ATOM 883 CG2 ILE A 54 116.279 -2.695 9.638 1.00 0.00 C ATOM 884 CD1 ILE A 54 113.807 -1.585 8.196 1.00 0.00 C ATOM 0 H ILE A 54 118.518 -1.526 9.183 1.00 0.00 H new ATOM 0 HA ILE A 54 116.784 0.753 9.669 1.00 0.00 H new ATOM 0 HB ILE A 54 116.429 -1.202 8.109 1.00 0.00 H new ATOM 0 HG12 ILE A 54 114.249 -1.061 10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 54 114.534 0.237 9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 54 115.657 -3.359 9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 54 117.324 -2.989 9.540 1.00 0.00 H new ATOM 0 HG23 ILE A 54 115.980 -2.764 10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 54 112.762 -1.287 8.274 1.00 0.00 H new ATOM 0 HD12 ILE A 54 114.181 -1.342 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 54 113.891 -2.659 8.362 1.00 0.00 H new ATOM 896 N ASN A 55 117.346 -1.111 12.251 1.00 0.00 N ATOM 897 CA ASN A 55 117.076 -1.194 13.727 1.00 0.00 C ATOM 898 C ASN A 55 117.562 0.057 14.477 1.00 0.00 C ATOM 899 O ASN A 55 117.383 0.146 15.679 1.00 0.00 O ATOM 900 CB ASN A 55 117.825 -2.434 14.229 1.00 0.00 C ATOM 901 CG ASN A 55 117.155 -3.694 13.679 1.00 0.00 C ATOM 902 OD1 ASN A 55 115.989 -4.052 14.143 1.00 0.00 O flip ATOM 903 ND2 ASN A 55 117.698 -4.361 12.820 1.00 0.00 N flip ATOM 0 H ASN A 55 118.106 -1.706 11.921 1.00 0.00 H new ATOM 0 HA ASN A 55 116.003 -1.260 13.909 1.00 0.00 H new ATOM 0 HB2 ASN A 55 118.867 -2.396 13.911 1.00 0.00 H new ATOM 0 HB3 ASN A 55 117.825 -2.456 15.319 1.00 0.00 H new ATOM 0 HD21 ASN A 55 118.609 -4.081 12.457 1.00 0.00 H new ATOM 0 HD22 ASN A 55 117.242 -5.200 12.462 1.00 0.00 H new ATOM 910 N LYS A 56 118.168 1.009 13.797 1.00 0.00 N ATOM 911 CA LYS A 56 118.451 2.342 14.422 1.00 0.00 C ATOM 912 C LYS A 56 117.304 3.335 14.174 1.00 0.00 C ATOM 913 O LYS A 56 117.248 4.367 14.818 1.00 0.00 O ATOM 914 CB LYS A 56 119.743 2.840 13.768 1.00 0.00 C ATOM 915 CG LYS A 56 120.907 1.939 14.186 1.00 0.00 C ATOM 916 CD LYS A 56 122.217 2.507 13.634 1.00 0.00 C ATOM 917 CE LYS A 56 123.365 1.547 13.952 1.00 0.00 C ATOM 918 NZ LYS A 56 124.605 2.328 13.687 1.00 0.00 N ATOM 0 H LYS A 56 118.479 0.916 12.830 1.00 0.00 H new ATOM 0 HA LYS A 56 118.549 2.254 15.504 1.00 0.00 H new ATOM 0 HB2 LYS A 56 119.638 2.837 12.683 1.00 0.00 H new ATOM 0 HB3 LYS A 56 119.941 3.870 14.066 1.00 0.00 H new ATOM 0 HG2 LYS A 56 120.957 1.872 15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 120.750 0.927 13.811 1.00 0.00 H new ATOM 0 HD2 LYS A 56 122.138 2.651 12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 56 122.415 3.485 14.073 1.00 0.00 H new ATOM 0 HE2 LYS A 56 123.324 1.212 14.988 1.00 0.00 H new ATOM 0 HE3 LYS A 56 123.319 0.656 13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 125.419 1.842 14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 124.751 2.410 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 124.512 3.278 14.100 1.00 0.00 H new ATOM 932 N PHE A 57 116.399 3.040 13.260 1.00 0.00 N ATOM 933 CA PHE A 57 115.194 3.902 13.051 1.00 0.00 C ATOM 934 C PHE A 57 113.936 3.115 13.431 1.00 0.00 C ATOM 935 O PHE A 57 114.018 1.940 13.744 1.00 0.00 O ATOM 936 CB PHE A 57 115.176 4.248 11.558 1.00 0.00 C ATOM 937 CG PHE A 57 116.441 4.906 11.054 1.00 0.00 C ATOM 938 CD1 PHE A 57 116.571 6.328 11.083 1.00 0.00 C ATOM 939 CD2 PHE A 57 117.510 4.101 10.552 1.00 0.00 C ATOM 940 CE1 PHE A 57 117.770 6.946 10.610 1.00 0.00 C ATOM 941 CE2 PHE A 57 118.709 4.717 10.077 1.00 0.00 C ATOM 942 CZ PHE A 57 118.838 6.141 10.107 1.00 0.00 C ATOM 0 H PHE A 57 116.450 2.227 12.646 1.00 0.00 H new ATOM 0 HA PHE A 57 115.223 4.804 13.663 1.00 0.00 H new ATOM 0 HB2 PHE A 57 115.004 3.335 10.988 1.00 0.00 H new ATOM 0 HB3 PHE A 57 114.333 4.910 11.361 1.00 0.00 H new ATOM 0 HD1 PHE A 57 115.763 6.936 11.462 1.00 0.00 H new ATOM 0 HD2 PHE A 57 117.412 3.026 10.532 1.00 0.00 H new ATOM 0 HE1 PHE A 57 117.869 8.021 10.633 1.00 0.00 H new ATOM 0 HE2 PHE A 57 119.516 4.108 9.696 1.00 0.00 H new ATOM 0 HZ PHE A 57 119.743 6.608 9.749 1.00 0.00 H new ATOM 952 N LYS A 58 112.790 3.756 13.401 1.00 0.00 N ATOM 953 CA LYS A 58 111.515 3.074 13.790 1.00 0.00 C ATOM 954 C LYS A 58 110.842 2.475 12.550 1.00 0.00 C ATOM 955 O LYS A 58 110.216 3.185 11.783 1.00 0.00 O ATOM 956 CB LYS A 58 110.636 4.166 14.407 1.00 0.00 C ATOM 957 CG LYS A 58 111.256 4.639 15.724 1.00 0.00 C ATOM 958 CD LYS A 58 110.391 5.746 16.327 1.00 0.00 C ATOM 959 CE LYS A 58 109.099 5.142 16.883 1.00 0.00 C ATOM 960 NZ LYS A 58 108.361 6.291 17.478 1.00 0.00 N ATOM 0 H LYS A 58 112.684 4.731 13.121 1.00 0.00 H new ATOM 0 HA LYS A 58 111.685 2.256 14.490 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.541 5.004 13.716 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.631 3.782 14.583 1.00 0.00 H new ATOM 0 HG2 LYS A 58 111.335 3.805 16.421 1.00 0.00 H new ATOM 0 HG3 LYS A 58 112.267 5.007 15.551 1.00 0.00 H new ATOM 0 HD2 LYS A 58 110.937 6.256 17.121 1.00 0.00 H new ATOM 0 HD3 LYS A 58 110.158 6.493 15.569 1.00 0.00 H new ATOM 0 HE2 LYS A 58 108.516 4.664 16.096 1.00 0.00 H new ATOM 0 HE3 LYS A 58 109.310 4.379 17.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 107.463 5.956 17.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 108.937 6.722 18.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 108.167 6.999 16.741 1.00 0.00 H new ATOM 974 N TYR A 59 110.970 1.180 12.366 1.00 0.00 N ATOM 975 CA TYR A 59 110.401 0.506 11.160 1.00 0.00 C ATOM 976 C TYR A 59 109.216 -0.389 11.548 1.00 0.00 C ATOM 977 O TYR A 59 108.886 -0.511 12.714 1.00 0.00 O ATOM 978 CB TYR A 59 111.569 -0.310 10.578 1.00 0.00 C ATOM 979 CG TYR A 59 112.033 -1.471 11.435 1.00 0.00 C ATOM 980 CD1 TYR A 59 113.017 -1.271 12.453 1.00 0.00 C ATOM 981 CD2 TYR A 59 111.475 -2.771 11.229 1.00 0.00 C ATOM 982 CE1 TYR A 59 113.444 -2.370 13.261 1.00 0.00 C ATOM 983 CE2 TYR A 59 111.903 -3.870 12.037 1.00 0.00 C ATOM 984 CZ TYR A 59 112.888 -3.669 13.053 1.00 0.00 C ATOM 985 OH TYR A 59 113.300 -4.731 13.833 1.00 0.00 O ATOM 0 H TYR A 59 111.453 0.556 13.012 1.00 0.00 H new ATOM 0 HA TYR A 59 110.008 1.214 10.431 1.00 0.00 H new ATOM 0 HB2 TYR A 59 111.272 -0.695 9.602 1.00 0.00 H new ATOM 0 HB3 TYR A 59 112.413 0.360 10.413 1.00 0.00 H new ATOM 0 HD1 TYR A 59 113.438 -0.289 12.611 1.00 0.00 H new ATOM 0 HD2 TYR A 59 110.730 -2.923 10.462 1.00 0.00 H new ATOM 0 HE1 TYR A 59 114.188 -2.218 14.029 1.00 0.00 H new ATOM 0 HE2 TYR A 59 111.482 -4.852 11.880 1.00 0.00 H new ATOM 0 HH TYR A 59 114.251 -4.629 14.048 1.00 0.00 H new ATOM 995 N ILE A 60 108.586 -1.003 10.572 1.00 0.00 N ATOM 996 CA ILE A 60 107.506 -1.999 10.849 1.00 0.00 C ATOM 997 C ILE A 60 108.012 -3.386 10.428 1.00 0.00 C ATOM 998 O ILE A 60 108.554 -3.541 9.350 1.00 0.00 O ATOM 999 CB ILE A 60 106.295 -1.561 10.004 1.00 0.00 C ATOM 1000 CG1 ILE A 60 105.847 -0.149 10.401 1.00 0.00 C ATOM 1001 CG2 ILE A 60 105.116 -2.517 10.224 1.00 0.00 C ATOM 1002 CD1 ILE A 60 104.905 0.412 9.333 1.00 0.00 C ATOM 0 H ILE A 60 108.779 -0.852 9.582 1.00 0.00 H new ATOM 0 HA ILE A 60 107.228 -2.048 11.902 1.00 0.00 H new ATOM 0 HB ILE A 60 106.597 -1.575 8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 60 105.343 -0.175 11.367 1.00 0.00 H new ATOM 0 HG13 ILE A 60 106.715 0.501 10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 60 104.268 -2.194 9.620 1.00 0.00 H new ATOM 0 HG22 ILE A 60 105.406 -3.526 9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 60 104.835 -2.511 11.277 1.00 0.00 H new ATOM 0 HD11 ILE A 60 104.588 1.415 9.618 1.00 0.00 H new ATOM 0 HD12 ILE A 60 105.424 0.453 8.375 1.00 0.00 H new ATOM 0 HD13 ILE A 60 104.031 -0.233 9.244 1.00 0.00 H new ATOM 1014 N GLU A 61 107.835 -4.374 11.276 1.00 0.00 N ATOM 1015 CA GLU A 61 108.311 -5.756 10.962 1.00 0.00 C ATOM 1016 C GLU A 61 107.125 -6.658 10.610 1.00 0.00 C ATOM 1017 O GLU A 61 106.058 -6.525 11.184 1.00 0.00 O ATOM 1018 CB GLU A 61 108.983 -6.240 12.248 1.00 0.00 C ATOM 1019 CG GLU A 61 109.731 -7.548 11.976 1.00 0.00 C ATOM 1020 CD GLU A 61 110.285 -8.104 13.289 1.00 0.00 C ATOM 1021 OE1 GLU A 61 110.854 -7.332 14.043 1.00 0.00 O ATOM 1022 OE2 GLU A 61 110.129 -9.291 13.519 1.00 0.00 O ATOM 0 H GLU A 61 107.376 -4.277 12.182 1.00 0.00 H new ATOM 0 HA GLU A 61 108.990 -5.776 10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 61 109.676 -5.483 12.615 1.00 0.00 H new ATOM 0 HB3 GLU A 61 108.235 -6.392 13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 61 109.060 -8.274 11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 61 110.544 -7.374 11.271 1.00 0.00 H new ATOM 1029 N THR A 62 107.314 -7.564 9.677 1.00 0.00 N ATOM 1030 CA THR A 62 106.225 -8.515 9.290 1.00 0.00 C ATOM 1031 C THR A 62 106.680 -9.966 9.482 1.00 0.00 C ATOM 1032 O THR A 62 107.788 -10.322 9.121 1.00 0.00 O ATOM 1033 CB THR A 62 105.947 -8.223 7.815 1.00 0.00 C ATOM 1034 OG1 THR A 62 107.168 -8.256 7.090 1.00 0.00 O ATOM 1035 CG2 THR A 62 105.308 -6.839 7.685 1.00 0.00 C ATOM 0 H THR A 62 108.187 -7.684 9.163 1.00 0.00 H new ATOM 0 HA THR A 62 105.334 -8.388 9.904 1.00 0.00 H new ATOM 0 HB THR A 62 105.268 -8.975 7.413 1.00 0.00 H new ATOM 0 HG1 THR A 62 107.673 -7.434 7.262 1.00 0.00 H new ATOM 0 HG21 THR A 62 105.108 -6.628 6.634 1.00 0.00 H new ATOM 0 HG22 THR A 62 104.372 -6.816 8.244 1.00 0.00 H new ATOM 0 HG23 THR A 62 105.987 -6.086 8.084 1.00 0.00 H new ATOM 1043 N GLU A 63 105.819 -10.787 10.039 1.00 0.00 N ATOM 1044 CA GLU A 63 106.218 -12.166 10.476 1.00 0.00 C ATOM 1045 C GLU A 63 106.340 -13.125 9.283 1.00 0.00 C ATOM 1046 O GLU A 63 105.995 -12.779 8.167 1.00 0.00 O ATOM 1047 CB GLU A 63 105.137 -12.646 11.463 1.00 0.00 C ATOM 1048 CG GLU A 63 103.750 -12.674 10.807 1.00 0.00 C ATOM 1049 CD GLU A 63 102.817 -13.573 11.622 1.00 0.00 C ATOM 1050 OE1 GLU A 63 102.601 -13.268 12.785 1.00 0.00 O ATOM 1051 OE2 GLU A 63 102.335 -14.549 11.073 1.00 0.00 O ATOM 0 H GLU A 63 104.841 -10.556 10.212 1.00 0.00 H new ATOM 0 HA GLU A 63 107.200 -12.147 10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 63 105.390 -13.643 11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 63 105.117 -11.987 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 63 103.342 -11.665 10.751 1.00 0.00 H new ATOM 0 HG3 GLU A 63 103.827 -13.044 9.785 1.00 0.00 H new ATOM 1058 N ASP A 64 106.827 -14.323 9.529 1.00 0.00 N ATOM 1059 CA ASP A 64 107.019 -15.333 8.433 1.00 0.00 C ATOM 1060 C ASP A 64 105.648 -15.779 7.911 1.00 0.00 C ATOM 1061 O ASP A 64 104.726 -15.961 8.686 1.00 0.00 O ATOM 1062 CB ASP A 64 107.756 -16.528 9.057 1.00 0.00 C ATOM 1063 CG ASP A 64 109.116 -16.093 9.614 1.00 0.00 C ATOM 1064 OD1 ASP A 64 109.952 -15.679 8.829 1.00 0.00 O ATOM 1065 OD2 ASP A 64 109.296 -16.180 10.816 1.00 0.00 O ATOM 0 H ASP A 64 107.103 -14.647 10.456 1.00 0.00 H new ATOM 0 HA ASP A 64 107.587 -14.918 7.600 1.00 0.00 H new ATOM 0 HB2 ASP A 64 107.151 -16.959 9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 64 107.896 -17.307 8.308 1.00 0.00 H new ATOM 1070 N PHE A 65 105.518 -15.952 6.613 1.00 0.00 N ATOM 1071 CA PHE A 65 104.191 -16.292 6.010 1.00 0.00 C ATOM 1072 C PHE A 65 104.347 -17.356 4.919 1.00 0.00 C ATOM 1073 O PHE A 65 105.439 -17.595 4.440 1.00 0.00 O ATOM 1074 CB PHE A 65 103.666 -14.975 5.427 1.00 0.00 C ATOM 1075 CG PHE A 65 104.554 -14.362 4.366 1.00 0.00 C ATOM 1076 CD1 PHE A 65 104.360 -14.702 2.991 1.00 0.00 C ATOM 1077 CD2 PHE A 65 105.580 -13.440 4.737 1.00 0.00 C ATOM 1078 CE1 PHE A 65 105.196 -14.122 1.986 1.00 0.00 C ATOM 1079 CE2 PHE A 65 106.418 -12.862 3.733 1.00 0.00 C ATOM 1080 CZ PHE A 65 106.225 -13.202 2.358 1.00 0.00 C ATOM 0 H PHE A 65 106.283 -15.871 5.943 1.00 0.00 H new ATOM 0 HA PHE A 65 103.503 -16.709 6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 65 102.678 -15.149 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 65 103.541 -14.257 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 65 103.582 -15.397 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 65 105.723 -13.180 5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 65 105.050 -14.379 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 65 107.197 -12.168 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 65 106.857 -12.764 1.600 1.00 0.00 H new ATOM 1090 N GLU A 66 103.259 -17.988 4.537 1.00 0.00 N ATOM 1091 CA GLU A 66 103.296 -19.010 3.447 1.00 0.00 C ATOM 1092 C GLU A 66 102.313 -18.637 2.331 1.00 0.00 C ATOM 1093 O GLU A 66 101.275 -18.051 2.588 1.00 0.00 O ATOM 1094 CB GLU A 66 102.877 -20.325 4.113 1.00 0.00 C ATOM 1095 CG GLU A 66 104.113 -21.048 4.659 1.00 0.00 C ATOM 1096 CD GLU A 66 103.692 -22.302 5.435 1.00 0.00 C ATOM 1097 OE1 GLU A 66 102.694 -22.244 6.135 1.00 0.00 O ATOM 1098 OE2 GLU A 66 104.384 -23.299 5.319 1.00 0.00 O ATOM 0 H GLU A 66 102.336 -17.834 4.943 1.00 0.00 H new ATOM 0 HA GLU A 66 104.282 -19.082 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 66 102.174 -20.126 4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 66 102.362 -20.960 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 66 104.774 -21.324 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 66 104.676 -20.380 5.311 1.00 0.00 H new ATOM 1105 N PHE A 67 102.648 -18.976 1.109 1.00 0.00 N ATOM 1106 CA PHE A 67 101.729 -18.741 -0.046 1.00 0.00 C ATOM 1107 C PHE A 67 101.965 -19.817 -1.111 1.00 0.00 C ATOM 1108 O PHE A 67 103.096 -20.156 -1.406 1.00 0.00 O ATOM 1109 CB PHE A 67 102.109 -17.358 -0.579 1.00 0.00 C ATOM 1110 CG PHE A 67 101.248 -16.895 -1.731 1.00 0.00 C ATOM 1111 CD1 PHE A 67 100.050 -16.161 -1.478 1.00 0.00 C ATOM 1112 CD2 PHE A 67 101.636 -17.189 -3.075 1.00 0.00 C ATOM 1113 CE1 PHE A 67 99.237 -15.720 -2.569 1.00 0.00 C ATOM 1114 CE2 PHE A 67 100.823 -16.750 -4.165 1.00 0.00 C ATOM 1115 CZ PHE A 67 99.623 -16.014 -3.913 1.00 0.00 C ATOM 0 H PHE A 67 103.536 -19.413 0.861 1.00 0.00 H new ATOM 0 HA PHE A 67 100.677 -18.787 0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 67 102.037 -16.633 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 67 103.151 -17.375 -0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 67 99.757 -15.939 -0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 67 102.543 -17.743 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 67 98.331 -15.165 -2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 67 101.115 -16.974 -5.180 1.00 0.00 H new ATOM 0 HZ PHE A 67 99.010 -15.681 -4.737 1.00 0.00 H new ATOM 1125 N ASN A 68 100.907 -20.356 -1.682 1.00 0.00 N ATOM 1126 CA ASN A 68 101.014 -21.415 -2.747 1.00 0.00 C ATOM 1127 C ASN A 68 101.916 -22.585 -2.314 1.00 0.00 C ATOM 1128 O ASN A 68 102.582 -23.194 -3.133 1.00 0.00 O ATOM 1129 CB ASN A 68 101.591 -20.714 -3.985 1.00 0.00 C ATOM 1130 CG ASN A 68 100.493 -19.896 -4.668 1.00 0.00 C ATOM 1131 OD1 ASN A 68 99.657 -19.306 -4.013 1.00 0.00 O ATOM 1132 ND2 ASN A 68 100.458 -19.835 -5.972 1.00 0.00 N ATOM 0 H ASN A 68 99.948 -20.099 -1.448 1.00 0.00 H new ATOM 0 HA ASN A 68 100.037 -21.854 -2.947 1.00 0.00 H new ATOM 0 HB2 ASN A 68 102.417 -20.064 -3.696 1.00 0.00 H new ATOM 0 HB3 ASN A 68 101.994 -21.452 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 68 99.730 -19.293 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 68 101.158 -20.329 -6.525 1.00 0.00 H new ATOM 1139 N GLY A 69 101.932 -22.887 -1.035 1.00 0.00 N ATOM 1140 CA GLY A 69 102.710 -24.058 -0.521 1.00 0.00 C ATOM 1141 C GLY A 69 104.211 -23.745 -0.416 1.00 0.00 C ATOM 1142 O GLY A 69 105.012 -24.659 -0.329 1.00 0.00 O ATOM 0 H GLY A 69 101.431 -22.363 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 69 102.329 -24.345 0.459 1.00 0.00 H new ATOM 0 HA3 GLY A 69 102.562 -24.911 -1.183 1.00 0.00 H new ATOM 1146 N LYS A 70 104.594 -22.484 -0.423 1.00 0.00 N ATOM 1147 CA LYS A 70 106.038 -22.110 -0.316 1.00 0.00 C ATOM 1148 C LYS A 70 106.246 -21.183 0.884 1.00 0.00 C ATOM 1149 O LYS A 70 105.423 -20.323 1.146 1.00 0.00 O ATOM 1150 CB LYS A 70 106.364 -21.379 -1.621 1.00 0.00 C ATOM 1151 CG LYS A 70 106.275 -22.353 -2.800 1.00 0.00 C ATOM 1152 CD LYS A 70 107.452 -23.328 -2.753 1.00 0.00 C ATOM 1153 CE LYS A 70 107.461 -24.182 -4.022 1.00 0.00 C ATOM 1154 NZ LYS A 70 108.386 -25.311 -3.721 1.00 0.00 N ATOM 0 H LYS A 70 103.955 -21.692 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 70 106.681 -22.978 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 70 105.669 -20.552 -1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 70 107.364 -20.950 -1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 70 105.334 -22.902 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 70 106.284 -21.802 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 70 108.389 -22.779 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 70 107.374 -23.967 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 70 106.461 -24.544 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 70 107.806 -23.608 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 108.444 -25.941 -4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 109.332 -24.937 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 108.028 -25.844 -2.903 1.00 0.00 H new ATOM 1168 N ARG A 71 107.332 -21.357 1.601 1.00 0.00 N ATOM 1169 CA ARG A 71 107.589 -20.541 2.829 1.00 0.00 C ATOM 1170 C ARG A 71 108.445 -19.317 2.488 1.00 0.00 C ATOM 1171 O ARG A 71 109.449 -19.432 1.807 1.00 0.00 O ATOM 1172 CB ARG A 71 108.342 -21.471 3.783 1.00 0.00 C ATOM 1173 CG ARG A 71 107.409 -22.594 4.242 1.00 0.00 C ATOM 1174 CD ARG A 71 108.163 -23.534 5.190 1.00 0.00 C ATOM 1175 NE ARG A 71 107.203 -24.641 5.514 1.00 0.00 N ATOM 1176 CZ ARG A 71 107.600 -25.847 5.872 1.00 0.00 C ATOM 1177 NH1 ARG A 71 108.864 -26.175 6.009 1.00 0.00 N ATOM 1178 NH2 ARG A 71 106.693 -26.752 6.118 1.00 0.00 N ATOM 0 H ARG A 71 108.059 -22.038 1.384 1.00 0.00 H new ATOM 0 HA ARG A 71 106.665 -20.169 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 71 109.216 -21.891 3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 71 108.705 -20.910 4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 71 106.539 -22.174 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 71 107.041 -23.150 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 71 109.065 -23.924 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 71 108.476 -23.010 6.093 1.00 0.00 H new ATOM 0 HE ARG A 71 106.202 -24.453 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 71 109.592 -25.482 5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 71 109.118 -27.123 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 105.704 -26.519 6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 71 106.973 -27.692 6.397 1.00 0.00 H new ATOM 1192 N PHE A 72 108.044 -18.158 2.960 1.00 0.00 N ATOM 1193 CA PHE A 72 108.843 -16.913 2.750 1.00 0.00 C ATOM 1194 C PHE A 72 109.219 -16.307 4.106 1.00 0.00 C ATOM 1195 O PHE A 72 108.429 -16.333 5.034 1.00 0.00 O ATOM 1196 CB PHE A 72 107.918 -15.974 1.977 1.00 0.00 C ATOM 1197 CG PHE A 72 107.556 -16.487 0.603 1.00 0.00 C ATOM 1198 CD1 PHE A 72 106.470 -17.405 0.446 1.00 0.00 C ATOM 1199 CD2 PHE A 72 108.297 -16.056 -0.540 1.00 0.00 C ATOM 1200 CE1 PHE A 72 106.128 -17.890 -0.854 1.00 0.00 C ATOM 1201 CE2 PHE A 72 107.955 -16.542 -1.840 1.00 0.00 C ATOM 1202 CZ PHE A 72 106.870 -17.459 -1.996 1.00 0.00 C ATOM 0 H PHE A 72 107.183 -18.024 3.490 1.00 0.00 H new ATOM 0 HA PHE A 72 109.772 -17.097 2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 72 107.005 -15.821 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 72 108.400 -15.001 1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 72 105.909 -17.731 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 72 109.116 -15.362 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 72 105.308 -18.583 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 72 108.516 -16.217 -2.704 1.00 0.00 H new ATOM 0 HZ PHE A 72 106.611 -17.826 -2.978 1.00 0.00 H new ATOM 1212 N PHE A 73 110.408 -15.761 4.209 1.00 0.00 N ATOM 1213 CA PHE A 73 110.955 -15.350 5.542 1.00 0.00 C ATOM 1214 C PHE A 73 110.489 -13.935 5.895 1.00 0.00 C ATOM 1215 O PHE A 73 110.138 -13.160 5.024 1.00 0.00 O ATOM 1216 CB PHE A 73 112.478 -15.399 5.401 1.00 0.00 C ATOM 1217 CG PHE A 73 113.016 -16.790 5.170 1.00 0.00 C ATOM 1218 CD1 PHE A 73 113.378 -17.612 6.282 1.00 0.00 C ATOM 1219 CD2 PHE A 73 113.166 -17.284 3.836 1.00 0.00 C ATOM 1220 CE1 PHE A 73 113.887 -18.929 6.061 1.00 0.00 C ATOM 1221 CE2 PHE A 73 113.675 -18.602 3.616 1.00 0.00 C ATOM 1222 CZ PHE A 73 114.037 -19.424 4.728 1.00 0.00 C ATOM 0 H PHE A 73 111.028 -15.581 3.419 1.00 0.00 H new ATOM 0 HA PHE A 73 110.609 -16.007 6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 73 112.779 -14.759 4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 73 112.932 -14.987 6.302 1.00 0.00 H new ATOM 0 HD1 PHE A 73 113.267 -17.238 7.289 1.00 0.00 H new ATOM 0 HD2 PHE A 73 112.895 -16.662 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 73 114.159 -19.551 6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 73 113.786 -18.977 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 73 114.424 -20.419 4.561 1.00 0.00 H new ATOM 1232 N GLY A 74 110.495 -13.608 7.169 1.00 0.00 N ATOM 1233 CA GLY A 74 109.977 -12.287 7.639 1.00 0.00 C ATOM 1234 C GLY A 74 110.873 -11.158 7.124 1.00 0.00 C ATOM 1235 O GLY A 74 112.028 -11.375 6.805 1.00 0.00 O ATOM 0 H GLY A 74 110.844 -14.214 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 74 108.956 -12.141 7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 74 109.944 -12.267 8.728 1.00 0.00 H new ATOM 1239 N VAL A 75 110.336 -9.962 7.051 1.00 0.00 N ATOM 1240 CA VAL A 75 111.083 -8.816 6.440 1.00 0.00 C ATOM 1241 C VAL A 75 110.860 -7.537 7.252 1.00 0.00 C ATOM 1242 O VAL A 75 109.878 -7.419 7.963 1.00 0.00 O ATOM 1243 CB VAL A 75 110.553 -8.661 5.002 1.00 0.00 C ATOM 1244 CG1 VAL A 75 110.882 -9.919 4.195 1.00 0.00 C ATOM 1245 CG2 VAL A 75 109.034 -8.438 4.985 1.00 0.00 C ATOM 0 H VAL A 75 109.403 -9.729 7.392 1.00 0.00 H new ATOM 0 HA VAL A 75 112.157 -9.002 6.435 1.00 0.00 H new ATOM 0 HB VAL A 75 111.035 -7.790 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 75 110.506 -9.807 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 75 111.962 -10.062 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 75 110.412 -10.784 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 75 108.693 -8.333 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 75 108.536 -9.291 5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 75 108.793 -7.532 5.541 1.00 0.00 H new ATOM 1255 N LYS A 76 111.767 -6.593 7.143 1.00 0.00 N ATOM 1256 CA LYS A 76 111.596 -5.268 7.816 1.00 0.00 C ATOM 1257 C LYS A 76 111.446 -4.172 6.757 1.00 0.00 C ATOM 1258 O LYS A 76 112.150 -4.180 5.760 1.00 0.00 O ATOM 1259 CB LYS A 76 112.880 -5.057 8.624 1.00 0.00 C ATOM 1260 CG LYS A 76 112.978 -6.101 9.738 1.00 0.00 C ATOM 1261 CD LYS A 76 114.207 -5.812 10.602 1.00 0.00 C ATOM 1262 CE LYS A 76 114.388 -6.931 11.632 1.00 0.00 C ATOM 1263 NZ LYS A 76 115.852 -6.966 11.907 1.00 0.00 N ATOM 0 H LYS A 76 112.630 -6.688 6.608 1.00 0.00 H new ATOM 0 HA LYS A 76 110.711 -5.235 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 76 113.748 -5.131 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 76 112.889 -4.055 9.052 1.00 0.00 H new ATOM 0 HG2 LYS A 76 112.077 -6.080 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 76 113.049 -7.101 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 76 115.095 -5.735 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 76 114.091 -4.854 11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 76 113.820 -6.728 12.540 1.00 0.00 H new ATOM 0 HE3 LYS A 76 114.036 -7.887 11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 116.201 -7.941 11.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 116.347 -6.349 11.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 116.031 -6.633 12.876 1.00 0.00 H new ATOM 1277 N VAL A 77 110.544 -3.242 6.973 1.00 0.00 N ATOM 1278 CA VAL A 77 110.282 -2.169 5.959 1.00 0.00 C ATOM 1279 C VAL A 77 110.228 -0.808 6.668 1.00 0.00 C ATOM 1280 O VAL A 77 109.667 -0.693 7.743 1.00 0.00 O ATOM 1281 CB VAL A 77 108.927 -2.516 5.311 1.00 0.00 C ATOM 1282 CG1 VAL A 77 108.575 -1.493 4.225 1.00 0.00 C ATOM 1283 CG2 VAL A 77 108.987 -3.903 4.657 1.00 0.00 C ATOM 0 H VAL A 77 109.973 -3.180 7.816 1.00 0.00 H new ATOM 0 HA VAL A 77 111.063 -2.112 5.201 1.00 0.00 H new ATOM 0 HB VAL A 77 108.171 -2.504 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 77 107.616 -1.753 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 77 108.512 -0.499 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.347 -1.499 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 77 108.023 -4.134 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 77 109.760 -3.910 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 77 109.221 -4.652 5.413 1.00 0.00 H new ATOM 1293 N LEU A 78 110.809 0.207 6.066 1.00 0.00 N ATOM 1294 CA LEU A 78 110.785 1.578 6.666 1.00 0.00 C ATOM 1295 C LEU A 78 110.495 2.630 5.575 1.00 0.00 C ATOM 1296 O LEU A 78 111.204 2.653 4.587 1.00 0.00 O ATOM 1297 CB LEU A 78 112.194 1.755 7.241 1.00 0.00 C ATOM 1298 CG LEU A 78 112.314 3.083 7.996 1.00 0.00 C ATOM 1299 CD1 LEU A 78 111.460 3.051 9.266 1.00 0.00 C ATOM 1300 CD2 LEU A 78 113.775 3.300 8.387 1.00 0.00 C ATOM 0 H LEU A 78 111.303 0.140 5.176 1.00 0.00 H new ATOM 0 HA LEU A 78 110.011 1.701 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 78 112.423 0.928 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 78 112.927 1.723 6.435 1.00 0.00 H new ATOM 0 HG LEU A 78 111.967 3.892 7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 78 111.555 4.001 9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 78 110.416 2.887 8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 78 111.800 2.242 9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 78 113.871 4.243 8.925 1.00 0.00 H new ATOM 0 HD22 LEU A 78 114.106 2.482 9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 78 114.391 3.330 7.489 1.00 0.00 H new ATOM 1312 N PRO A 79 109.479 3.466 5.760 1.00 0.00 N ATOM 1313 CA PRO A 79 109.176 4.542 4.762 1.00 0.00 C ATOM 1314 C PRO A 79 110.329 5.552 4.657 1.00 0.00 C ATOM 1315 O PRO A 79 111.037 5.789 5.619 1.00 0.00 O ATOM 1316 CB PRO A 79 107.925 5.217 5.334 1.00 0.00 C ATOM 1317 CG PRO A 79 107.326 4.167 6.203 1.00 0.00 C ATOM 1318 CD PRO A 79 108.499 3.514 6.864 1.00 0.00 C ATOM 0 HA PRO A 79 109.035 4.148 3.755 1.00 0.00 H new ATOM 0 HB2 PRO A 79 108.177 6.112 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 79 107.239 5.524 4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 79 106.647 4.600 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 79 106.749 3.450 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 79 108.866 4.093 7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 79 108.256 2.520 7.239 1.00 0.00 H new ATOM 1326 N ILE A 80 110.507 6.136 3.494 1.00 0.00 N ATOM 1327 CA ILE A 80 111.471 7.271 3.329 1.00 0.00 C ATOM 1328 C ILE A 80 110.903 8.318 2.363 1.00 0.00 C ATOM 1329 O ILE A 80 109.900 8.081 1.712 1.00 0.00 O ATOM 1330 CB ILE A 80 112.775 6.668 2.773 1.00 0.00 C ATOM 1331 CG1 ILE A 80 112.529 5.948 1.435 1.00 0.00 C ATOM 1332 CG2 ILE A 80 113.357 5.680 3.791 1.00 0.00 C ATOM 1333 CD1 ILE A 80 113.866 5.585 0.779 1.00 0.00 C ATOM 0 H ILE A 80 110.017 5.869 2.640 1.00 0.00 H new ATOM 0 HA ILE A 80 111.651 7.774 4.279 1.00 0.00 H new ATOM 0 HB ILE A 80 113.481 7.480 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 80 111.940 5.046 1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 80 111.950 6.588 0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 80 114.280 5.253 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 80 113.568 6.201 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 80 112.638 4.882 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 80 113.681 5.076 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 80 114.440 6.493 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 80 114.429 4.927 1.441 1.00 0.00 H new ATOM 1345 N LYS A 81 111.541 9.460 2.275 1.00 0.00 N ATOM 1346 CA LYS A 81 111.235 10.437 1.187 1.00 0.00 C ATOM 1347 C LYS A 81 112.466 10.585 0.288 1.00 0.00 C ATOM 1348 O LYS A 81 113.559 10.802 0.775 1.00 0.00 O ATOM 1349 CB LYS A 81 110.921 11.753 1.899 1.00 0.00 C ATOM 1350 CG LYS A 81 109.621 11.613 2.694 1.00 0.00 C ATOM 1351 CD LYS A 81 108.428 11.673 1.738 1.00 0.00 C ATOM 1352 CE LYS A 81 107.129 11.804 2.539 1.00 0.00 C ATOM 1353 NZ LYS A 81 106.200 12.555 1.651 1.00 0.00 N ATOM 0 H LYS A 81 112.271 9.759 2.921 1.00 0.00 H new ATOM 0 HA LYS A 81 110.402 10.122 0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 81 111.740 12.020 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 81 110.828 12.558 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 81 109.616 10.669 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 81 109.548 12.410 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 81 108.535 12.520 1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 81 108.398 10.774 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 81 106.724 10.825 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 81 107.295 12.336 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 105.478 13.031 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 106.734 13.265 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 105.738 11.894 0.994 1.00 0.00 H new ATOM 1367 N ILE A 82 112.286 10.471 -1.008 1.00 0.00 N ATOM 1368 CA ILE A 82 113.448 10.474 -1.952 1.00 0.00 C ATOM 1369 C ILE A 82 113.492 11.825 -2.675 1.00 0.00 C ATOM 1370 O ILE A 82 112.523 12.224 -3.296 1.00 0.00 O ATOM 1371 CB ILE A 82 113.199 9.314 -2.936 1.00 0.00 C ATOM 1372 CG1 ILE A 82 113.110 7.981 -2.182 1.00 0.00 C ATOM 1373 CG2 ILE A 82 114.349 9.215 -3.947 1.00 0.00 C ATOM 1374 CD1 ILE A 82 112.508 6.911 -3.097 1.00 0.00 C ATOM 0 H ILE A 82 111.374 10.375 -1.455 1.00 0.00 H new ATOM 0 HA ILE A 82 114.405 10.341 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 82 112.261 9.513 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 82 114.101 7.673 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 82 112.496 8.097 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 82 114.159 8.391 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 82 114.422 10.147 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 82 115.285 9.036 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 82 112.446 5.965 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 82 111.509 7.218 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 82 113.140 6.787 -3.977 1.00 0.00 H new ATOM 1386 N LEU A 83 114.608 12.512 -2.590 1.00 0.00 N ATOM 1387 CA LEU A 83 114.740 13.858 -3.225 1.00 0.00 C ATOM 1388 C LEU A 83 115.653 13.777 -4.452 1.00 0.00 C ATOM 1389 O LEU A 83 116.825 13.463 -4.332 1.00 0.00 O ATOM 1390 CB LEU A 83 115.367 14.753 -2.152 1.00 0.00 C ATOM 1391 CG LEU A 83 114.407 14.914 -0.970 1.00 0.00 C ATOM 1392 CD1 LEU A 83 115.141 15.579 0.197 1.00 0.00 C ATOM 1393 CD2 LEU A 83 113.223 15.790 -1.386 1.00 0.00 C ATOM 0 H LEU A 83 115.443 12.190 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 83 113.779 14.245 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 83 116.307 14.319 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 83 115.602 15.730 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 83 114.045 13.933 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.458 15.694 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 83 115.985 14.958 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 83 115.503 16.559 -0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 112.541 15.904 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.586 16.771 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 83 112.698 15.321 -2.218 1.00 0.00 H new ATOM 1405 N ILE A 84 115.117 14.059 -5.618 1.00 0.00 N ATOM 1406 CA ILE A 84 115.939 14.082 -6.868 1.00 0.00 C ATOM 1407 C ILE A 84 115.659 15.400 -7.602 1.00 0.00 C ATOM 1408 O ILE A 84 114.525 15.691 -7.936 1.00 0.00 O ATOM 1409 CB ILE A 84 115.489 12.864 -7.698 1.00 0.00 C ATOM 1410 CG1 ILE A 84 115.730 11.566 -6.915 1.00 0.00 C ATOM 1411 CG2 ILE A 84 116.286 12.788 -9.008 1.00 0.00 C ATOM 1412 CD1 ILE A 84 114.973 10.413 -7.579 1.00 0.00 C ATOM 0 H ILE A 84 114.130 14.277 -5.756 1.00 0.00 H new ATOM 0 HA ILE A 84 117.011 14.026 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 84 114.427 12.979 -7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 84 116.796 11.342 -6.883 1.00 0.00 H new ATOM 0 HG13 ILE A 84 115.398 11.685 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 84 115.958 11.923 -9.584 1.00 0.00 H new ATOM 0 HG22 ILE A 84 116.119 13.695 -9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 84 117.348 12.692 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 84 115.147 9.494 -7.020 1.00 0.00 H new ATOM 0 HD12 ILE A 84 113.906 10.636 -7.588 1.00 0.00 H new ATOM 0 HD13 ILE A 84 115.326 10.287 -8.603 1.00 0.00 H new ATOM 1424 N GLY A 85 116.683 16.188 -7.842 1.00 0.00 N ATOM 1425 CA GLY A 85 116.505 17.514 -8.514 1.00 0.00 C ATOM 1426 C GLY A 85 115.673 18.443 -7.621 1.00 0.00 C ATOM 1427 O GLY A 85 116.060 18.740 -6.505 1.00 0.00 O ATOM 0 H GLY A 85 117.647 15.963 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 85 117.478 17.963 -8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 85 116.010 17.381 -9.476 1.00 0.00 H new ATOM 1431 N ASN A 86 114.543 18.895 -8.117 1.00 0.00 N ATOM 1432 CA ASN A 86 113.616 19.734 -7.294 1.00 0.00 C ATOM 1433 C ASN A 86 112.315 18.988 -6.961 1.00 0.00 C ATOM 1434 O ASN A 86 111.342 19.614 -6.576 1.00 0.00 O ATOM 1435 CB ASN A 86 113.315 20.955 -8.167 1.00 0.00 C ATOM 1436 CG ASN A 86 114.579 21.807 -8.315 1.00 0.00 C ATOM 1437 OD1 ASN A 86 115.337 21.959 -7.379 1.00 0.00 O ATOM 1438 ND2 ASN A 86 114.838 22.370 -9.462 1.00 0.00 N ATOM 0 H ASN A 86 114.222 18.715 -9.068 1.00 0.00 H new ATOM 0 HA ASN A 86 114.066 19.997 -6.337 1.00 0.00 H new ATOM 0 HB2 ASN A 86 112.963 20.635 -9.148 1.00 0.00 H new ATOM 0 HB3 ASN A 86 112.516 21.546 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 86 115.678 22.938 -9.573 1.00 0.00 H new ATOM 0 HD22 ASN A 86 114.201 22.242 -10.248 1.00 0.00 H new ATOM 1445 N LYS A 87 112.286 17.678 -7.099 1.00 0.00 N ATOM 1446 CA LYS A 87 111.021 16.905 -6.895 1.00 0.00 C ATOM 1447 C LYS A 87 111.190 15.889 -5.760 1.00 0.00 C ATOM 1448 O LYS A 87 112.253 15.322 -5.592 1.00 0.00 O ATOM 1449 CB LYS A 87 110.776 16.185 -8.222 1.00 0.00 C ATOM 1450 CG LYS A 87 110.446 17.207 -9.311 1.00 0.00 C ATOM 1451 CD LYS A 87 110.097 16.476 -10.609 1.00 0.00 C ATOM 1452 CE LYS A 87 109.882 17.498 -11.726 1.00 0.00 C ATOM 1453 NZ LYS A 87 111.250 17.829 -12.213 1.00 0.00 N ATOM 0 H LYS A 87 113.096 17.110 -7.347 1.00 0.00 H new ATOM 0 HA LYS A 87 110.188 17.551 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 87 111.659 15.612 -8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 87 109.956 15.475 -8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 87 109.610 17.832 -8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 87 111.296 17.870 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 87 110.899 15.789 -10.879 1.00 0.00 H new ATOM 0 HD3 LYS A 87 109.197 15.877 -10.471 1.00 0.00 H new ATOM 0 HE2 LYS A 87 109.267 17.085 -12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 87 109.369 18.386 -11.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 111.322 18.854 -12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 111.951 17.541 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 111.433 17.324 -13.103 1.00 0.00 H new ATOM 1467 N LYS A 88 110.144 15.665 -4.994 1.00 0.00 N ATOM 1468 CA LYS A 88 110.190 14.657 -3.888 1.00 0.00 C ATOM 1469 C LYS A 88 109.084 13.612 -4.077 1.00 0.00 C ATOM 1470 O LYS A 88 107.932 13.955 -4.280 1.00 0.00 O ATOM 1471 CB LYS A 88 110.013 15.450 -2.580 1.00 0.00 C ATOM 1472 CG LYS A 88 108.681 16.212 -2.549 1.00 0.00 C ATOM 1473 CD LYS A 88 108.585 17.011 -1.248 1.00 0.00 C ATOM 1474 CE LYS A 88 107.162 17.550 -1.083 1.00 0.00 C ATOM 1475 NZ LYS A 88 107.205 18.378 0.154 1.00 0.00 N ATOM 0 H LYS A 88 109.250 16.146 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 88 111.131 14.107 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 88 110.060 14.767 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS A 88 110.837 16.155 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 88 108.612 16.882 -3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 88 107.848 15.513 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 88 108.846 16.378 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 88 109.298 17.835 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 88 106.863 18.145 -1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 88 106.441 16.738 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 106.264 18.783 0.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 107.486 17.784 0.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 107.895 19.147 0.033 1.00 0.00 H new ATOM 1489 N ILE A 89 109.438 12.348 -4.010 1.00 0.00 N ATOM 1490 CA ILE A 89 108.436 11.247 -4.179 1.00 0.00 C ATOM 1491 C ILE A 89 108.517 10.313 -2.965 1.00 0.00 C ATOM 1492 O ILE A 89 109.585 10.110 -2.414 1.00 0.00 O ATOM 1493 CB ILE A 89 108.824 10.519 -5.482 1.00 0.00 C ATOM 1494 CG1 ILE A 89 108.776 11.487 -6.671 1.00 0.00 C ATOM 1495 CG2 ILE A 89 107.847 9.369 -5.762 1.00 0.00 C ATOM 1496 CD1 ILE A 89 109.502 10.868 -7.868 1.00 0.00 C ATOM 0 H ILE A 89 110.393 12.030 -3.843 1.00 0.00 H new ATOM 0 HA ILE A 89 107.411 11.612 -4.242 1.00 0.00 H new ATOM 0 HB ILE A 89 109.835 10.130 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 89 107.741 11.705 -6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 89 109.242 12.434 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 89 108.134 8.865 -6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 89 107.875 8.658 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 89 106.837 9.766 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 89 109.466 11.558 -8.711 1.00 0.00 H new ATOM 0 HD12 ILE A 89 110.541 10.673 -7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 89 109.016 9.932 -8.144 1.00 0.00 H new ATOM 1508 N ASP A 90 107.399 9.755 -2.558 1.00 0.00 N ATOM 1509 CA ASP A 90 107.392 8.790 -1.408 1.00 0.00 C ATOM 1510 C ASP A 90 107.995 7.452 -1.845 1.00 0.00 C ATOM 1511 O ASP A 90 107.690 6.959 -2.917 1.00 0.00 O ATOM 1512 CB ASP A 90 105.923 8.603 -1.012 1.00 0.00 C ATOM 1513 CG ASP A 90 105.365 9.921 -0.473 1.00 0.00 C ATOM 1514 OD1 ASP A 90 105.460 10.137 0.724 1.00 0.00 O ATOM 1515 OD2 ASP A 90 104.851 10.693 -1.266 1.00 0.00 O ATOM 0 H ASP A 90 106.485 9.928 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 90 107.983 9.162 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 90 105.342 8.276 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 90 105.836 7.823 -0.255 1.00 0.00 H new ATOM 1520 N GLY A 91 108.840 6.874 -1.022 1.00 0.00 N ATOM 1521 CA GLY A 91 109.441 5.543 -1.336 1.00 0.00 C ATOM 1522 C GLY A 91 109.631 4.758 -0.037 1.00 0.00 C ATOM 1523 O GLY A 91 109.120 5.148 0.997 1.00 0.00 O ATOM 0 H GLY A 91 109.141 7.277 -0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 91 108.794 4.990 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 91 110.399 5.673 -1.840 1.00 0.00 H new ATOM 1527 N ALA A 92 110.361 3.669 -0.093 1.00 0.00 N ATOM 1528 CA ALA A 92 110.606 2.840 1.127 1.00 0.00 C ATOM 1529 C ALA A 92 111.844 1.961 0.934 1.00 0.00 C ATOM 1530 O ALA A 92 112.206 1.644 -0.183 1.00 0.00 O ATOM 1531 CB ALA A 92 109.349 1.981 1.283 1.00 0.00 C ATOM 0 H ALA A 92 110.802 3.317 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 92 110.791 3.451 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 92 109.452 1.342 2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 92 108.480 2.627 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 92 109.219 1.361 0.396 1.00 0.00 H new ATOM 1537 N ILE A 93 112.480 1.575 2.017 1.00 0.00 N ATOM 1538 CA ILE A 93 113.678 0.683 1.937 1.00 0.00 C ATOM 1539 C ILE A 93 113.288 -0.705 2.462 1.00 0.00 C ATOM 1540 O ILE A 93 112.540 -0.813 3.419 1.00 0.00 O ATOM 1541 CB ILE A 93 114.758 1.326 2.831 1.00 0.00 C ATOM 1542 CG1 ILE A 93 115.085 2.746 2.351 1.00 0.00 C ATOM 1543 CG2 ILE A 93 116.048 0.497 2.784 1.00 0.00 C ATOM 1544 CD1 ILE A 93 115.864 3.489 3.440 1.00 0.00 C ATOM 0 H ILE A 93 112.214 1.845 2.964 1.00 0.00 H new ATOM 0 HA ILE A 93 114.049 0.570 0.918 1.00 0.00 H new ATOM 0 HB ILE A 93 114.368 1.361 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 93 115.672 2.705 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 93 114.166 3.283 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 93 116.802 0.961 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 93 115.845 -0.513 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 93 116.415 0.452 1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 93 116.096 4.498 3.098 1.00 0.00 H new ATOM 0 HD12 ILE A 93 115.261 3.543 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 93 116.791 2.956 3.652 1.00 0.00 H new ATOM 1556 N VAL A 94 113.792 -1.746 1.840 1.00 0.00 N ATOM 1557 CA VAL A 94 113.423 -3.142 2.236 1.00 0.00 C ATOM 1558 C VAL A 94 114.693 -3.908 2.630 1.00 0.00 C ATOM 1559 O VAL A 94 115.675 -3.896 1.908 1.00 0.00 O ATOM 1560 CB VAL A 94 112.750 -3.769 0.998 1.00 0.00 C ATOM 1561 CG1 VAL A 94 112.304 -5.204 1.299 1.00 0.00 C ATOM 1562 CG2 VAL A 94 111.509 -2.961 0.597 1.00 0.00 C ATOM 0 H VAL A 94 114.452 -1.685 1.065 1.00 0.00 H new ATOM 0 HA VAL A 94 112.749 -3.170 3.092 1.00 0.00 H new ATOM 0 HB VAL A 94 113.479 -3.766 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 94 111.831 -5.631 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 94 113.171 -5.805 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 94 111.592 -5.198 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 94 111.046 -3.416 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 94 110.797 -2.954 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 94 111.802 -1.938 0.362 1.00 0.00 H new ATOM 1572 N VAL A 95 114.668 -4.564 3.767 1.00 0.00 N ATOM 1573 CA VAL A 95 115.825 -5.405 4.209 1.00 0.00 C ATOM 1574 C VAL A 95 115.277 -6.677 4.888 1.00 0.00 C ATOM 1575 O VAL A 95 114.374 -6.565 5.694 1.00 0.00 O ATOM 1576 CB VAL A 95 116.619 -4.536 5.203 1.00 0.00 C ATOM 1577 CG1 VAL A 95 117.842 -5.301 5.726 1.00 0.00 C ATOM 1578 CG2 VAL A 95 117.115 -3.258 4.517 1.00 0.00 C ATOM 0 H VAL A 95 113.882 -4.551 4.417 1.00 0.00 H new ATOM 0 HA VAL A 95 116.465 -5.719 3.384 1.00 0.00 H new ATOM 0 HB VAL A 95 115.954 -4.284 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 95 118.392 -4.673 6.427 1.00 0.00 H new ATOM 0 HG12 VAL A 95 117.514 -6.209 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 95 118.490 -5.566 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 95 117.674 -2.655 5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 95 117.762 -3.522 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 95 116.262 -2.688 4.150 1.00 0.00 H new ATOM 1588 N PRO A 96 115.813 -7.847 4.562 1.00 0.00 N ATOM 1589 CA PRO A 96 115.347 -9.120 5.209 1.00 0.00 C ATOM 1590 C PRO A 96 115.486 -9.070 6.740 1.00 0.00 C ATOM 1591 O PRO A 96 116.307 -8.339 7.263 1.00 0.00 O ATOM 1592 CB PRO A 96 116.284 -10.176 4.623 1.00 0.00 C ATOM 1593 CG PRO A 96 116.685 -9.599 3.311 1.00 0.00 C ATOM 1594 CD PRO A 96 116.876 -8.136 3.575 1.00 0.00 C ATOM 0 HA PRO A 96 114.292 -9.317 5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.147 -10.347 5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.781 -11.135 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.603 -10.057 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.918 -9.767 2.555 1.00 0.00 H new ATOM 0 HD2 PRO A 96 117.868 -7.922 3.973 1.00 0.00 H new ATOM 0 HD3 PRO A 96 116.761 -7.542 2.669 1.00 0.00 H new ATOM 1602 N LYS A 97 114.686 -9.846 7.440 1.00 0.00 N ATOM 1603 CA LYS A 97 114.737 -9.860 8.942 1.00 0.00 C ATOM 1604 C LYS A 97 116.086 -10.397 9.433 1.00 0.00 C ATOM 1605 O LYS A 97 116.592 -9.953 10.448 1.00 0.00 O ATOM 1606 CB LYS A 97 113.602 -10.783 9.401 1.00 0.00 C ATOM 1607 CG LYS A 97 113.410 -10.656 10.914 1.00 0.00 C ATOM 1608 CD LYS A 97 112.370 -11.675 11.385 1.00 0.00 C ATOM 1609 CE LYS A 97 112.115 -11.488 12.882 1.00 0.00 C ATOM 1610 NZ LYS A 97 110.779 -12.104 13.124 1.00 0.00 N ATOM 0 H LYS A 97 113.995 -10.475 7.032 1.00 0.00 H new ATOM 0 HA LYS A 97 114.624 -8.854 9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 97 112.678 -10.523 8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 97 113.833 -11.816 9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 97 114.357 -10.824 11.427 1.00 0.00 H new ATOM 0 HG3 LYS A 97 113.086 -9.646 11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 97 111.442 -11.547 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 97 112.722 -12.688 11.189 1.00 0.00 H new ATOM 0 HE2 LYS A 97 112.888 -11.974 13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 97 112.119 -10.433 13.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 110.082 -11.357 13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 110.486 -12.640 12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 110.835 -12.746 13.940 1.00 0.00 H new ATOM 1624 N LYS A 98 116.657 -11.340 8.718 1.00 0.00 N ATOM 1625 CA LYS A 98 117.943 -11.971 9.159 1.00 0.00 C ATOM 1626 C LYS A 98 119.135 -11.150 8.657 1.00 0.00 C ATOM 1627 O LYS A 98 119.330 -11.007 7.464 1.00 0.00 O ATOM 1628 CB LYS A 98 117.954 -13.370 8.534 1.00 0.00 C ATOM 1629 CG LYS A 98 119.102 -14.186 9.130 1.00 0.00 C ATOM 1630 CD LYS A 98 119.154 -15.560 8.459 1.00 0.00 C ATOM 1631 CE LYS A 98 120.205 -16.430 9.153 1.00 0.00 C ATOM 1632 NZ LYS A 98 121.506 -15.995 8.572 1.00 0.00 N ATOM 0 H LYS A 98 116.283 -11.702 7.841 1.00 0.00 H new ATOM 0 HA LYS A 98 118.020 -12.017 10.245 1.00 0.00 H new ATOM 0 HB2 LYS A 98 117.004 -13.870 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 98 118.069 -13.296 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 98 120.047 -13.663 8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 98 118.962 -14.300 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 98 118.177 -16.040 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 98 119.398 -15.451 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 98 120.187 -16.286 10.233 1.00 0.00 H new ATOM 0 HE3 LYS A 98 120.025 -17.489 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 122.261 -16.634 8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 121.449 -16.022 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 121.718 -15.025 8.882 1.00 0.00 H new ATOM 1646 N THR A 99 119.920 -10.619 9.567 1.00 0.00 N ATOM 1647 CA THR A 99 121.128 -9.827 9.184 1.00 0.00 C ATOM 1648 C THR A 99 122.338 -10.283 10.006 1.00 0.00 C ATOM 1649 O THR A 99 122.215 -10.548 11.188 1.00 0.00 O ATOM 1650 CB THR A 99 120.771 -8.376 9.511 1.00 0.00 C ATOM 1651 OG1 THR A 99 119.513 -8.059 8.933 1.00 0.00 O ATOM 1652 CG2 THR A 99 121.843 -7.442 8.946 1.00 0.00 C ATOM 0 H THR A 99 119.770 -10.704 10.572 1.00 0.00 H new ATOM 0 HA THR A 99 121.391 -9.953 8.134 1.00 0.00 H new ATOM 0 HB THR A 99 120.718 -8.250 10.592 1.00 0.00 H new ATOM 0 HG1 THR A 99 119.281 -7.130 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 99 121.586 -6.409 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 99 122.808 -7.685 9.390 1.00 0.00 H new ATOM 0 HG23 THR A 99 121.900 -7.565 7.864 1.00 0.00 H new ATOM 1660 N TYR A 100 123.490 -10.371 9.382 1.00 0.00 N ATOM 1661 CA TYR A 100 124.730 -10.808 10.098 1.00 0.00 C ATOM 1662 C TYR A 100 125.533 -9.586 10.553 1.00 0.00 C ATOM 1663 O TYR A 100 125.806 -9.428 11.729 1.00 0.00 O ATOM 1664 CB TYR A 100 125.520 -11.623 9.073 1.00 0.00 C ATOM 1665 CG TYR A 100 126.681 -12.382 9.673 1.00 0.00 C ATOM 1666 CD1 TYR A 100 126.444 -13.592 10.397 1.00 0.00 C ATOM 1667 CD2 TYR A 100 128.015 -11.894 9.513 1.00 0.00 C ATOM 1668 CE1 TYR A 100 127.542 -14.312 10.963 1.00 0.00 C ATOM 1669 CE2 TYR A 100 129.112 -12.615 10.079 1.00 0.00 C ATOM 1670 CZ TYR A 100 128.876 -13.824 10.804 1.00 0.00 C ATOM 1671 OH TYR A 100 129.934 -14.519 11.349 1.00 0.00 O ATOM 0 H TYR A 100 123.624 -10.155 8.394 1.00 0.00 H new ATOM 0 HA TYR A 100 124.507 -11.392 10.991 1.00 0.00 H new ATOM 0 HB2 TYR A 100 124.848 -12.329 8.586 1.00 0.00 H new ATOM 0 HB3 TYR A 100 125.895 -10.953 8.299 1.00 0.00 H new ATOM 0 HD1 TYR A 100 125.436 -13.962 10.516 1.00 0.00 H new ATOM 0 HD2 TYR A 100 128.194 -10.981 8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 100 127.363 -15.225 11.511 1.00 0.00 H new ATOM 0 HE2 TYR A 100 130.120 -12.246 9.959 1.00 0.00 H new ATOM 0 HH TYR A 100 130.771 -14.051 11.148 1.00 0.00 H new ATOM 1681 N HIS A 101 125.906 -8.735 9.625 1.00 0.00 N ATOM 1682 CA HIS A 101 126.672 -7.498 9.966 1.00 0.00 C ATOM 1683 C HIS A 101 126.054 -6.284 9.266 1.00 0.00 C ATOM 1684 O HIS A 101 125.041 -6.405 8.600 1.00 0.00 O ATOM 1685 CB HIS A 101 128.089 -7.750 9.450 1.00 0.00 C ATOM 1686 CG HIS A 101 128.911 -8.627 10.354 1.00 0.00 C ATOM 1687 ND1 HIS A 101 128.743 -9.011 11.662 1.00 0.00 N flip ATOM 1688 CD2 HIS A 101 130.085 -9.229 9.932 1.00 0.00 C flip ATOM 1689 CE1 HIS A 101 129.795 -9.838 12.047 1.00 0.00 C flip ATOM 1690 NE2 HIS A 101 130.575 -9.935 10.966 1.00 0.00 N flip ATOM 0 H HIS A 101 125.707 -8.850 8.631 1.00 0.00 H new ATOM 0 HA HIS A 101 126.661 -7.289 11.036 1.00 0.00 H new ATOM 0 HB2 HIS A 101 128.031 -8.211 8.464 1.00 0.00 H new ATOM 0 HB3 HIS A 101 128.597 -6.794 9.325 1.00 0.00 H new ATOM 0 HD1 HIS A 101 127.965 -8.733 12.261 1.00 0.00 H new ATOM 0 HD2 HIS A 101 130.527 -9.146 8.950 1.00 0.00 H new ATOM 0 HE1 HIS A 101 129.948 -10.301 13.011 1.00 0.00 H new ATOM 1698 N SER A 102 126.662 -5.128 9.420 1.00 0.00 N ATOM 1699 CA SER A 102 126.137 -3.886 8.770 1.00 0.00 C ATOM 1700 C SER A 102 126.823 -3.672 7.417 1.00 0.00 C ATOM 1701 O SER A 102 127.964 -4.058 7.234 1.00 0.00 O ATOM 1702 CB SER A 102 126.477 -2.748 9.733 1.00 0.00 C ATOM 1703 OG SER A 102 127.887 -2.579 9.781 1.00 0.00 O ATOM 0 H SER A 102 127.508 -4.994 9.974 1.00 0.00 H new ATOM 0 HA SER A 102 125.065 -3.943 8.580 1.00 0.00 H new ATOM 0 HB2 SER A 102 125.999 -1.824 9.406 1.00 0.00 H new ATOM 0 HB3 SER A 102 126.092 -2.971 10.728 1.00 0.00 H new ATOM 0 HG SER A 102 128.108 -1.849 10.396 1.00 0.00 H new ATOM 1709 N SER A 103 126.131 -3.059 6.484 1.00 0.00 N ATOM 1710 CA SER A 103 126.693 -2.842 5.115 1.00 0.00 C ATOM 1711 C SER A 103 126.418 -1.410 4.649 1.00 0.00 C ATOM 1712 O SER A 103 125.669 -0.685 5.279 1.00 0.00 O ATOM 1713 CB SER A 103 125.962 -3.847 4.224 1.00 0.00 C ATOM 1714 OG SER A 103 126.236 -5.165 4.679 1.00 0.00 O ATOM 0 H SER A 103 125.187 -2.696 6.617 1.00 0.00 H new ATOM 0 HA SER A 103 127.774 -2.981 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 103 124.889 -3.658 4.247 1.00 0.00 H new ATOM 0 HB3 SER A 103 126.283 -3.733 3.189 1.00 0.00 H new ATOM 0 HG SER A 103 125.767 -5.811 4.111 1.00 0.00 H new ATOM 1720 N GLU A 104 127.024 -1.013 3.553 1.00 0.00 N ATOM 1721 CA GLU A 104 126.788 0.351 2.983 1.00 0.00 C ATOM 1722 C GLU A 104 125.950 0.270 1.700 1.00 0.00 C ATOM 1723 O GLU A 104 126.063 1.126 0.843 1.00 0.00 O ATOM 1724 CB GLU A 104 128.186 0.898 2.673 1.00 0.00 C ATOM 1725 CG GLU A 104 128.738 1.646 3.889 1.00 0.00 C ATOM 1726 CD GLU A 104 130.192 2.046 3.629 1.00 0.00 C ATOM 1727 OE1 GLU A 104 131.068 1.263 3.954 1.00 0.00 O ATOM 1728 OE2 GLU A 104 130.402 3.129 3.109 1.00 0.00 O ATOM 0 H GLU A 104 127.681 -1.586 3.023 1.00 0.00 H new ATOM 0 HA GLU A 104 126.238 0.989 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 104 128.854 0.080 2.405 1.00 0.00 H new ATOM 0 HB3 GLU A 104 128.141 1.567 1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 104 128.136 2.533 4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 104 128.677 1.015 4.776 1.00 0.00 H new ATOM 1735 N ILE A 105 125.121 -0.742 1.569 1.00 0.00 N ATOM 1736 CA ILE A 105 124.260 -0.886 0.350 1.00 0.00 C ATOM 1737 C ILE A 105 122.791 -0.974 0.785 1.00 0.00 C ATOM 1738 O ILE A 105 122.444 -1.781 1.630 1.00 0.00 O ATOM 1739 CB ILE A 105 124.712 -2.187 -0.345 1.00 0.00 C ATOM 1740 CG1 ILE A 105 126.221 -2.163 -0.672 1.00 0.00 C ATOM 1741 CG2 ILE A 105 123.915 -2.408 -1.640 1.00 0.00 C ATOM 1742 CD1 ILE A 105 126.594 -0.984 -1.584 1.00 0.00 C ATOM 0 H ILE A 105 125.004 -1.481 2.262 1.00 0.00 H new ATOM 0 HA ILE A 105 124.355 -0.039 -0.330 1.00 0.00 H new ATOM 0 HB ILE A 105 124.522 -3.007 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 105 126.792 -2.099 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 105 126.502 -3.098 -1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 105 124.246 -3.330 -2.118 1.00 0.00 H new ATOM 0 HG22 ILE A 105 122.853 -2.482 -1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 105 124.080 -1.569 -2.316 1.00 0.00 H new ATOM 0 HD11 ILE A 105 127.664 -1.006 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 105 126.044 -1.061 -2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 105 126.338 -0.047 -1.090 1.00 0.00 H new ATOM 1754 N ILE A 106 121.944 -0.150 0.212 1.00 0.00 N ATOM 1755 CA ILE A 106 120.477 -0.200 0.523 1.00 0.00 C ATOM 1756 C ILE A 106 119.667 -0.338 -0.771 1.00 0.00 C ATOM 1757 O ILE A 106 120.043 0.204 -1.794 1.00 0.00 O ATOM 1758 CB ILE A 106 120.138 1.112 1.252 1.00 0.00 C ATOM 1759 CG1 ILE A 106 120.509 2.339 0.407 1.00 0.00 C ATOM 1760 CG2 ILE A 106 120.897 1.173 2.580 1.00 0.00 C ATOM 1761 CD1 ILE A 106 119.800 3.576 0.963 1.00 0.00 C ATOM 0 H ILE A 106 122.210 0.564 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 106 120.230 -1.059 1.147 1.00 0.00 H new ATOM 0 HB ILE A 106 119.062 1.127 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 106 121.589 2.489 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 106 120.222 2.178 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 106 120.656 2.103 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 106 120.607 0.327 3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 106 121.969 1.132 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 106 120.064 4.447 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 106 118.721 3.424 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 106 120.109 3.740 1.995 1.00 0.00 H new ATOM 1773 N GLU A 107 118.568 -1.056 -0.718 1.00 0.00 N ATOM 1774 CA GLU A 107 117.682 -1.205 -1.915 1.00 0.00 C ATOM 1775 C GLU A 107 116.325 -0.553 -1.647 1.00 0.00 C ATOM 1776 O GLU A 107 115.707 -0.802 -0.625 1.00 0.00 O ATOM 1777 CB GLU A 107 117.521 -2.712 -2.118 1.00 0.00 C ATOM 1778 CG GLU A 107 118.707 -3.252 -2.919 1.00 0.00 C ATOM 1779 CD GLU A 107 118.544 -4.759 -3.130 1.00 0.00 C ATOM 1780 OE1 GLU A 107 117.449 -5.177 -3.466 1.00 0.00 O ATOM 1781 OE2 GLU A 107 119.519 -5.470 -2.952 1.00 0.00 O ATOM 0 H GLU A 107 118.245 -1.550 0.114 1.00 0.00 H new ATOM 0 HA GLU A 107 118.102 -0.723 -2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.462 -3.215 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 107 116.589 -2.921 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.769 -2.745 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 107 119.638 -3.048 -2.391 1.00 0.00 H new ATOM 1788 N ILE A 108 115.868 0.271 -2.561 1.00 0.00 N ATOM 1789 CA ILE A 108 114.615 1.060 -2.342 1.00 0.00 C ATOM 1790 C ILE A 108 113.547 0.624 -3.356 1.00 0.00 C ATOM 1791 O ILE A 108 113.864 0.197 -4.448 1.00 0.00 O ATOM 1792 CB ILE A 108 115.025 2.533 -2.546 1.00 0.00 C ATOM 1793 CG1 ILE A 108 116.065 2.939 -1.496 1.00 0.00 C ATOM 1794 CG2 ILE A 108 113.813 3.465 -2.407 1.00 0.00 C ATOM 1795 CD1 ILE A 108 116.739 4.246 -1.912 1.00 0.00 C ATOM 0 H ILE A 108 116.318 0.432 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 108 114.185 0.908 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 108 115.441 2.625 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 108 115.586 3.060 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 108 116.812 2.153 -1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 108 114.129 4.498 -2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 108 113.065 3.203 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 108 113.383 3.357 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 108 117.477 4.530 -1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.233 4.110 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.988 5.032 -1.997 1.00 0.00 H new ATOM 1807 N ILE A 109 112.294 0.738 -2.982 1.00 0.00 N ATOM 1808 CA ILE A 109 111.171 0.592 -3.963 1.00 0.00 C ATOM 1809 C ILE A 109 110.404 1.916 -4.067 1.00 0.00 C ATOM 1810 O ILE A 109 110.427 2.711 -3.143 1.00 0.00 O ATOM 1811 CB ILE A 109 110.266 -0.537 -3.439 1.00 0.00 C ATOM 1812 CG1 ILE A 109 109.757 -0.239 -2.018 1.00 0.00 C ATOM 1813 CG2 ILE A 109 111.048 -1.853 -3.426 1.00 0.00 C ATOM 1814 CD1 ILE A 109 108.445 -0.990 -1.774 1.00 0.00 C ATOM 0 H ILE A 109 111.998 0.929 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 109 111.535 0.348 -4.961 1.00 0.00 H new ATOM 0 HB ILE A 109 109.405 -0.613 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 109 110.503 -0.541 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 109 109.603 0.833 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 109 110.408 -2.653 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 109 111.377 -2.091 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 109 111.917 -1.753 -2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 109 108.086 -0.778 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 109 107.700 -0.666 -2.501 1.00 0.00 H new ATOM 0 HD13 ILE A 109 108.614 -2.062 -1.881 1.00 0.00 H new ATOM 1826 N ALA A 110 109.738 2.142 -5.176 1.00 0.00 N ATOM 1827 CA ALA A 110 109.003 3.427 -5.389 1.00 0.00 C ATOM 1828 C ALA A 110 107.695 3.173 -6.157 1.00 0.00 C ATOM 1829 O ALA A 110 107.540 2.109 -6.726 1.00 0.00 O ATOM 1830 CB ALA A 110 109.951 4.309 -6.202 1.00 0.00 C ATOM 0 H ALA A 110 109.673 1.481 -5.951 1.00 0.00 H new ATOM 0 HA ALA A 110 108.726 3.901 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 110 109.476 5.271 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 110 110.873 4.466 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 110 110.181 3.820 -7.149 1.00 0.00 H new ATOM 1836 N PRO A 111 106.786 4.139 -6.163 1.00 0.00 N ATOM 1837 CA PRO A 111 105.508 3.996 -6.939 1.00 0.00 C ATOM 1838 C PRO A 111 105.775 3.789 -8.438 1.00 0.00 C ATOM 1839 O PRO A 111 105.008 3.127 -9.115 1.00 0.00 O ATOM 1840 CB PRO A 111 104.801 5.333 -6.699 1.00 0.00 C ATOM 1841 CG PRO A 111 105.364 5.803 -5.404 1.00 0.00 C ATOM 1842 CD PRO A 111 106.815 5.442 -5.466 1.00 0.00 C ATOM 0 HA PRO A 111 104.924 3.131 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 111 105.001 6.041 -7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 111 103.719 5.210 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 111 105.228 6.877 -5.280 1.00 0.00 H new ATOM 0 HG3 PRO A 111 104.872 5.320 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 111 107.395 6.184 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 111 107.257 5.362 -4.473 1.00 0.00 H new ATOM 1850 N MET A 112 106.853 4.348 -8.941 1.00 0.00 N ATOM 1851 CA MET A 112 107.186 4.221 -10.394 1.00 0.00 C ATOM 1852 C MET A 112 108.705 4.121 -10.598 1.00 0.00 C ATOM 1853 O MET A 112 109.468 4.386 -9.684 1.00 0.00 O ATOM 1854 CB MET A 112 106.548 5.438 -11.107 1.00 0.00 C ATOM 1855 CG MET A 112 107.332 6.758 -10.956 1.00 0.00 C ATOM 1856 SD MET A 112 107.236 7.398 -9.265 1.00 0.00 S ATOM 1857 CE MET A 112 105.479 7.836 -9.287 1.00 0.00 C ATOM 0 H MET A 112 107.523 4.893 -8.398 1.00 0.00 H new ATOM 0 HA MET A 112 106.783 3.304 -10.824 1.00 0.00 H new ATOM 0 HB2 MET A 112 106.449 5.209 -12.168 1.00 0.00 H new ATOM 0 HB3 MET A 112 105.541 5.583 -10.717 1.00 0.00 H new ATOM 0 HG2 MET A 112 108.375 6.595 -11.226 1.00 0.00 H new ATOM 0 HG3 MET A 112 106.935 7.499 -11.650 1.00 0.00 H new ATOM 0 HE1 MET A 112 105.238 8.417 -8.397 1.00 0.00 H new ATOM 0 HE2 MET A 112 105.263 8.428 -10.176 1.00 0.00 H new ATOM 0 HE3 MET A 112 104.878 6.927 -9.301 1.00 0.00 H new ATOM 1867 N LYS A 113 109.130 3.746 -11.784 1.00 0.00 N ATOM 1868 CA LYS A 113 110.595 3.567 -12.056 1.00 0.00 C ATOM 1869 C LYS A 113 111.292 4.931 -12.097 1.00 0.00 C ATOM 1870 O LYS A 113 111.160 5.672 -13.055 1.00 0.00 O ATOM 1871 CB LYS A 113 110.698 2.871 -13.418 1.00 0.00 C ATOM 1872 CG LYS A 113 112.134 2.387 -13.634 1.00 0.00 C ATOM 1873 CD LYS A 113 112.175 1.419 -14.818 1.00 0.00 C ATOM 1874 CE LYS A 113 111.986 2.194 -16.124 1.00 0.00 C ATOM 1875 NZ LYS A 113 111.627 1.163 -17.136 1.00 0.00 N ATOM 0 H LYS A 113 108.521 3.555 -12.580 1.00 0.00 H new ATOM 0 HA LYS A 113 111.077 2.977 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 113 110.008 2.028 -13.461 1.00 0.00 H new ATOM 0 HB3 LYS A 113 110.411 3.559 -14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 113 112.791 3.236 -13.822 1.00 0.00 H new ATOM 0 HG3 LYS A 113 112.502 1.893 -12.734 1.00 0.00 H new ATOM 0 HD2 LYS A 113 113.127 0.888 -14.833 1.00 0.00 H new ATOM 0 HD3 LYS A 113 111.392 0.668 -14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 113 111.200 2.943 -16.028 1.00 0.00 H new ATOM 0 HE3 LYS A 113 112.897 2.722 -16.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 111.481 1.619 -18.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 112.396 0.467 -17.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 110.752 0.682 -16.846 1.00 0.00 H new ATOM 1889 N LEU A 114 112.032 5.258 -11.057 1.00 0.00 N ATOM 1890 CA LEU A 114 112.717 6.594 -10.974 1.00 0.00 C ATOM 1891 C LEU A 114 113.686 6.803 -12.143 1.00 0.00 C ATOM 1892 O LEU A 114 113.853 7.914 -12.614 1.00 0.00 O ATOM 1893 CB LEU A 114 113.499 6.595 -9.654 1.00 0.00 C ATOM 1894 CG LEU A 114 112.525 6.532 -8.476 1.00 0.00 C ATOM 1895 CD1 LEU A 114 113.304 6.245 -7.190 1.00 0.00 C ATOM 1896 CD2 LEU A 114 111.797 7.872 -8.339 1.00 0.00 C ATOM 0 H LEU A 114 112.192 4.649 -10.254 1.00 0.00 H new ATOM 0 HA LEU A 114 111.983 7.398 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 114 114.178 5.743 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 114 114.111 7.494 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 114 111.797 5.740 -8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 114 112.613 6.199 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 114 113.824 5.292 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 114 114.031 7.039 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 114 111.104 7.825 -7.499 1.00 0.00 H new ATOM 0 HD22 LEU A 114 112.524 8.665 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 114 111.244 8.081 -9.255 1.00 0.00 H new ATOM 1908 N ARG A 115 114.312 5.744 -12.610 1.00 0.00 N ATOM 1909 CA ARG A 115 115.371 5.877 -13.669 1.00 0.00 C ATOM 1910 C ARG A 115 114.782 6.443 -14.963 1.00 0.00 C ATOM 1911 O ARG A 115 115.440 7.197 -15.658 1.00 0.00 O ATOM 1912 CB ARG A 115 115.923 4.470 -13.922 1.00 0.00 C ATOM 1913 CG ARG A 115 116.620 3.955 -12.664 1.00 0.00 C ATOM 1914 CD ARG A 115 117.217 2.572 -12.937 1.00 0.00 C ATOM 1915 NE ARG A 115 118.409 2.804 -13.821 1.00 0.00 N ATOM 1916 CZ ARG A 115 119.426 1.966 -13.881 1.00 0.00 C ATOM 1917 NH1 ARG A 115 119.474 0.845 -13.197 1.00 0.00 N ATOM 1918 NH2 ARG A 115 120.426 2.259 -14.665 1.00 0.00 N ATOM 0 H ARG A 115 114.134 4.788 -12.302 1.00 0.00 H new ATOM 0 HA ARG A 115 116.154 6.561 -13.340 1.00 0.00 H new ATOM 0 HB2 ARG A 115 115.113 3.796 -14.202 1.00 0.00 H new ATOM 0 HB3 ARG A 115 116.625 4.489 -14.756 1.00 0.00 H new ATOM 0 HG2 ARG A 115 117.405 4.648 -12.362 1.00 0.00 H new ATOM 0 HG3 ARG A 115 115.909 3.899 -11.839 1.00 0.00 H new ATOM 0 HD2 ARG A 115 117.509 2.083 -12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 115 116.490 1.922 -13.424 1.00 0.00 H new ATOM 0 HE ARG A 115 118.433 3.644 -14.399 1.00 0.00 H new ATOM 0 HH11 ARG A 115 118.701 0.588 -12.584 1.00 0.00 H new ATOM 0 HH12 ARG A 115 120.285 0.232 -13.280 1.00 0.00 H new ATOM 0 HH21 ARG A 115 120.409 3.119 -15.213 1.00 0.00 H new ATOM 0 HH22 ARG A 115 121.225 1.628 -14.730 1.00 0.00 H new ATOM 1932 N GLU A 116 113.556 6.083 -15.275 1.00 0.00 N ATOM 1933 CA GLU A 116 112.894 6.615 -16.507 1.00 0.00 C ATOM 1934 C GLU A 116 112.403 8.039 -16.238 1.00 0.00 C ATOM 1935 O GLU A 116 112.654 8.938 -17.023 1.00 0.00 O ATOM 1936 CB GLU A 116 111.721 5.677 -16.809 1.00 0.00 C ATOM 1937 CG GLU A 116 111.121 6.028 -18.172 1.00 0.00 C ATOM 1938 CD GLU A 116 109.882 5.165 -18.426 1.00 0.00 C ATOM 1939 OE1 GLU A 116 109.955 3.972 -18.179 1.00 0.00 O ATOM 1940 OE2 GLU A 116 108.884 5.711 -18.864 1.00 0.00 O ATOM 0 H GLU A 116 112.986 5.441 -14.725 1.00 0.00 H new ATOM 0 HA GLU A 116 113.576 6.654 -17.356 1.00 0.00 H new ATOM 0 HB2 GLU A 116 112.060 4.641 -16.806 1.00 0.00 H new ATOM 0 HB3 GLU A 116 110.962 5.766 -16.032 1.00 0.00 H new ATOM 0 HG2 GLU A 116 110.853 7.084 -18.201 1.00 0.00 H new ATOM 0 HG3 GLU A 116 111.858 5.864 -18.958 1.00 0.00 H new ATOM 1947 N GLN A 117 111.728 8.245 -15.129 1.00 0.00 N ATOM 1948 CA GLN A 117 111.066 9.569 -14.860 1.00 0.00 C ATOM 1949 C GLN A 117 112.103 10.695 -14.773 1.00 0.00 C ATOM 1950 O GLN A 117 111.828 11.815 -15.172 1.00 0.00 O ATOM 1951 CB GLN A 117 110.330 9.422 -13.524 1.00 0.00 C ATOM 1952 CG GLN A 117 109.211 8.387 -13.660 1.00 0.00 C ATOM 1953 CD GLN A 117 108.076 8.964 -14.509 1.00 0.00 C ATOM 1954 OE1 GLN A 117 107.626 10.068 -14.272 1.00 0.00 O ATOM 1955 NE2 GLN A 117 107.591 8.260 -15.494 1.00 0.00 N ATOM 0 H GLN A 117 111.606 7.549 -14.393 1.00 0.00 H new ATOM 0 HA GLN A 117 110.381 9.829 -15.667 1.00 0.00 H new ATOM 0 HB2 GLN A 117 111.028 9.116 -12.745 1.00 0.00 H new ATOM 0 HB3 GLN A 117 109.914 10.383 -13.220 1.00 0.00 H new ATOM 0 HG2 GLN A 117 109.597 7.478 -14.121 1.00 0.00 H new ATOM 0 HG3 GLN A 117 108.837 8.110 -12.674 1.00 0.00 H new ATOM 0 HE21 GLN A 117 107.969 7.334 -15.693 1.00 0.00 H new ATOM 0 HE22 GLN A 117 106.834 8.636 -16.065 1.00 0.00 H new ATOM 1964 N PHE A 118 113.275 10.402 -14.259 1.00 0.00 N ATOM 1965 CA PHE A 118 114.328 11.454 -14.090 1.00 0.00 C ATOM 1966 C PHE A 118 115.488 11.290 -15.088 1.00 0.00 C ATOM 1967 O PHE A 118 116.486 11.976 -14.966 1.00 0.00 O ATOM 1968 CB PHE A 118 114.832 11.267 -12.659 1.00 0.00 C ATOM 1969 CG PHE A 118 113.818 11.655 -11.610 1.00 0.00 C ATOM 1970 CD1 PHE A 118 112.852 10.701 -11.159 1.00 0.00 C ATOM 1971 CD2 PHE A 118 113.822 12.977 -11.066 1.00 0.00 C ATOM 1972 CE1 PHE A 118 111.893 11.069 -10.167 1.00 0.00 C ATOM 1973 CE2 PHE A 118 112.862 13.345 -10.073 1.00 0.00 C ATOM 1974 CZ PHE A 118 111.896 12.391 -9.624 1.00 0.00 C ATOM 0 H PHE A 118 113.549 9.470 -13.947 1.00 0.00 H new ATOM 0 HA PHE A 118 113.922 12.448 -14.277 1.00 0.00 H new ATOM 0 HB2 PHE A 118 115.113 10.224 -12.514 1.00 0.00 H new ATOM 0 HB3 PHE A 118 115.734 11.862 -12.519 1.00 0.00 H new ATOM 0 HD1 PHE A 118 112.848 9.702 -11.569 1.00 0.00 H new ATOM 0 HD2 PHE A 118 114.551 13.698 -11.406 1.00 0.00 H new ATOM 0 HE1 PHE A 118 111.165 10.348 -9.827 1.00 0.00 H new ATOM 0 HE2 PHE A 118 112.866 14.344 -9.662 1.00 0.00 H new ATOM 0 HZ PHE A 118 111.169 12.669 -8.875 1.00 0.00 H new ATOM 1984 N ASN A 119 115.382 10.403 -16.065 1.00 0.00 N ATOM 1985 CA ASN A 119 116.484 10.175 -17.069 1.00 0.00 C ATOM 1986 C ASN A 119 117.841 9.916 -16.383 1.00 0.00 C ATOM 1987 O ASN A 119 118.853 10.489 -16.750 1.00 0.00 O ATOM 1988 CB ASN A 119 116.528 11.444 -17.934 1.00 0.00 C ATOM 1989 CG ASN A 119 115.235 11.554 -18.745 1.00 0.00 C ATOM 1990 OD1 ASN A 119 115.075 10.888 -19.748 1.00 0.00 O ATOM 1991 ND2 ASN A 119 114.298 12.370 -18.348 1.00 0.00 N ATOM 0 H ASN A 119 114.560 9.817 -16.209 1.00 0.00 H new ATOM 0 HA ASN A 119 116.289 9.287 -17.670 1.00 0.00 H new ATOM 0 HB2 ASN A 119 116.649 12.324 -17.302 1.00 0.00 H new ATOM 0 HB3 ASN A 119 117.388 11.411 -18.603 1.00 0.00 H new ATOM 0 HD21 ASN A 119 113.431 12.449 -18.880 1.00 0.00 H new ATOM 0 HD22 ASN A 119 114.432 12.929 -17.506 1.00 0.00 H new ATOM 1998 N LEU A 120 117.853 9.048 -15.396 1.00 0.00 N ATOM 1999 CA LEU A 120 119.067 8.871 -14.535 1.00 0.00 C ATOM 2000 C LEU A 120 119.972 7.764 -15.082 1.00 0.00 C ATOM 2001 O LEU A 120 119.494 6.726 -15.507 1.00 0.00 O ATOM 2002 CB LEU A 120 118.539 8.490 -13.150 1.00 0.00 C ATOM 2003 CG LEU A 120 117.873 9.704 -12.499 1.00 0.00 C ATOM 2004 CD1 LEU A 120 117.097 9.254 -11.259 1.00 0.00 C ATOM 2005 CD2 LEU A 120 118.945 10.715 -12.086 1.00 0.00 C ATOM 0 H LEU A 120 117.065 8.449 -15.149 1.00 0.00 H new ATOM 0 HA LEU A 120 119.667 9.780 -14.506 1.00 0.00 H new ATOM 0 HB2 LEU A 120 117.823 7.673 -13.236 1.00 0.00 H new ATOM 0 HB3 LEU A 120 119.357 8.133 -12.524 1.00 0.00 H new ATOM 0 HG LEU A 120 117.190 10.168 -13.210 1.00 0.00 H new ATOM 0 HD11 LEU A 120 116.622 10.118 -10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 120 116.333 8.532 -11.550 1.00 0.00 H new ATOM 0 HD13 LEU A 120 117.782 8.791 -10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 120 118.470 11.580 -11.622 1.00 0.00 H new ATOM 0 HD22 LEU A 120 119.628 10.251 -11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 120 119.501 11.035 -12.967 1.00 0.00 H new ATOM 2017 N LYS A 121 121.265 7.992 -15.070 1.00 0.00 N ATOM 2018 CA LYS A 121 122.243 6.951 -15.511 1.00 0.00 C ATOM 2019 C LYS A 121 123.122 6.530 -14.330 1.00 0.00 C ATOM 2020 O LYS A 121 123.248 7.257 -13.361 1.00 0.00 O ATOM 2021 CB LYS A 121 123.091 7.632 -16.587 1.00 0.00 C ATOM 2022 CG LYS A 121 122.230 7.916 -17.820 1.00 0.00 C ATOM 2023 CD LYS A 121 123.108 8.490 -18.934 1.00 0.00 C ATOM 2024 CE LYS A 121 122.231 8.879 -20.127 1.00 0.00 C ATOM 2025 NZ LYS A 121 123.184 9.372 -21.160 1.00 0.00 N ATOM 0 H LYS A 121 121.688 8.870 -14.768 1.00 0.00 H new ATOM 0 HA LYS A 121 121.752 6.053 -15.887 1.00 0.00 H new ATOM 0 HB2 LYS A 121 123.508 8.562 -16.201 1.00 0.00 H new ATOM 0 HB3 LYS A 121 123.932 6.994 -16.858 1.00 0.00 H new ATOM 0 HG2 LYS A 121 121.747 6.999 -18.159 1.00 0.00 H new ATOM 0 HG3 LYS A 121 121.437 8.620 -17.568 1.00 0.00 H new ATOM 0 HD2 LYS A 121 123.652 9.361 -18.570 1.00 0.00 H new ATOM 0 HD3 LYS A 121 123.852 7.755 -19.241 1.00 0.00 H new ATOM 0 HE2 LYS A 121 121.660 8.025 -20.492 1.00 0.00 H new ATOM 0 HE3 LYS A 121 121.511 9.651 -19.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 122.657 9.658 -22.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 123.709 10.189 -20.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 123.852 8.614 -21.406 1.00 0.00 H new ATOM 2039 N ASP A 122 123.728 5.363 -14.408 1.00 0.00 N ATOM 2040 CA ASP A 122 124.594 4.850 -13.286 1.00 0.00 C ATOM 2041 C ASP A 122 125.712 5.844 -12.938 1.00 0.00 C ATOM 2042 O ASP A 122 126.324 6.420 -13.821 1.00 0.00 O ATOM 2043 CB ASP A 122 125.209 3.539 -13.788 1.00 0.00 C ATOM 2044 CG ASP A 122 124.106 2.498 -13.996 1.00 0.00 C ATOM 2045 OD1 ASP A 122 123.250 2.388 -13.133 1.00 0.00 O ATOM 2046 OD2 ASP A 122 124.135 1.828 -15.015 1.00 0.00 O ATOM 0 H ASP A 122 123.659 4.736 -15.210 1.00 0.00 H new ATOM 0 HA ASP A 122 124.001 4.709 -12.382 1.00 0.00 H new ATOM 0 HB2 ASP A 122 125.741 3.711 -14.723 1.00 0.00 H new ATOM 0 HB3 ASP A 122 125.940 3.170 -13.068 1.00 0.00 H new ATOM 2051 N GLY A 123 125.968 6.036 -11.665 1.00 0.00 N ATOM 2052 CA GLY A 123 127.007 7.016 -11.220 1.00 0.00 C ATOM 2053 C GLY A 123 126.369 8.333 -10.761 1.00 0.00 C ATOM 2054 O GLY A 123 126.978 9.063 -9.998 1.00 0.00 O ATOM 0 H GLY A 123 125.493 5.547 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 123 127.589 6.587 -10.404 1.00 0.00 H new ATOM 0 HA3 GLY A 123 127.701 7.211 -12.038 1.00 0.00 H new ATOM 2058 N ASP A 124 125.166 8.643 -11.210 1.00 0.00 N ATOM 2059 CA ASP A 124 124.492 9.919 -10.788 1.00 0.00 C ATOM 2060 C ASP A 124 124.192 9.882 -9.286 1.00 0.00 C ATOM 2061 O ASP A 124 124.060 8.817 -8.712 1.00 0.00 O ATOM 2062 CB ASP A 124 123.192 10.024 -11.596 1.00 0.00 C ATOM 2063 CG ASP A 124 123.459 10.717 -12.934 1.00 0.00 C ATOM 2064 OD1 ASP A 124 124.205 11.683 -12.947 1.00 0.00 O ATOM 2065 OD2 ASP A 124 122.906 10.271 -13.925 1.00 0.00 O ATOM 0 H ASP A 124 124.624 8.064 -11.851 1.00 0.00 H new ATOM 0 HA ASP A 124 125.131 10.783 -10.974 1.00 0.00 H new ATOM 0 HB2 ASP A 124 122.781 9.029 -11.768 1.00 0.00 H new ATOM 0 HB3 ASP A 124 122.447 10.583 -11.030 1.00 0.00 H new ATOM 2070 N VAL A 125 124.086 11.033 -8.661 1.00 0.00 N ATOM 2071 CA VAL A 125 123.918 11.092 -7.173 1.00 0.00 C ATOM 2072 C VAL A 125 122.513 11.613 -6.840 1.00 0.00 C ATOM 2073 O VAL A 125 122.059 12.588 -7.412 1.00 0.00 O ATOM 2074 CB VAL A 125 125.010 12.050 -6.661 1.00 0.00 C ATOM 2075 CG1 VAL A 125 124.952 12.159 -5.130 1.00 0.00 C ATOM 2076 CG2 VAL A 125 126.401 11.532 -7.046 1.00 0.00 C ATOM 0 H VAL A 125 124.109 11.942 -9.124 1.00 0.00 H new ATOM 0 HA VAL A 125 124.018 10.114 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 125 124.834 13.025 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 125 125.730 12.840 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 125 123.976 12.540 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 125 125.109 11.175 -4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 125 127.161 12.221 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 125 126.558 10.548 -6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 125 126.475 11.459 -8.131 1.00 0.00 H new ATOM 2086 N ILE A 126 121.841 10.961 -5.920 1.00 0.00 N ATOM 2087 CA ILE A 126 120.514 11.449 -5.426 1.00 0.00 C ATOM 2088 C ILE A 126 120.527 11.504 -3.893 1.00 0.00 C ATOM 2089 O ILE A 126 121.348 10.861 -3.263 1.00 0.00 O ATOM 2090 CB ILE A 126 119.458 10.455 -5.942 1.00 0.00 C ATOM 2091 CG1 ILE A 126 119.759 9.021 -5.479 1.00 0.00 C ATOM 2092 CG2 ILE A 126 119.428 10.491 -7.473 1.00 0.00 C ATOM 2093 CD1 ILE A 126 118.532 8.137 -5.711 1.00 0.00 C ATOM 0 H ILE A 126 122.162 10.097 -5.484 1.00 0.00 H new ATOM 0 HA ILE A 126 120.290 12.454 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 126 118.491 10.751 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 126 120.614 8.624 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 126 120.027 9.018 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 126 118.680 9.787 -7.839 1.00 0.00 H new ATOM 0 HG22 ILE A 126 119.175 11.497 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 126 120.408 10.215 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 126 118.748 7.121 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 126 117.688 8.530 -5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 126 118.284 8.130 -6.772 1.00 0.00 H new ATOM 2105 N LYS A 127 119.627 12.261 -3.308 1.00 0.00 N ATOM 2106 CA LYS A 127 119.630 12.454 -1.826 1.00 0.00 C ATOM 2107 C LYS A 127 118.440 11.727 -1.195 1.00 0.00 C ATOM 2108 O LYS A 127 117.353 11.733 -1.742 1.00 0.00 O ATOM 2109 CB LYS A 127 119.500 13.965 -1.621 1.00 0.00 C ATOM 2110 CG LYS A 127 120.770 14.663 -2.115 1.00 0.00 C ATOM 2111 CD LYS A 127 120.679 16.161 -1.816 1.00 0.00 C ATOM 2112 CE LYS A 127 121.883 16.878 -2.431 1.00 0.00 C ATOM 2113 NZ LYS A 127 121.421 18.275 -2.664 1.00 0.00 N ATOM 0 H LYS A 127 118.885 12.757 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 127 120.531 12.054 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 127 118.632 14.342 -2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 127 119.339 14.186 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 127 121.646 14.236 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 127 120.893 14.502 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 127 119.753 16.568 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 127 120.655 16.327 -0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 127 122.742 16.853 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 127 122.192 16.404 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 122.193 18.830 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 120.607 18.268 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 121.140 18.703 -1.759 1.00 0.00 H new ATOM 2127 N ILE A 128 118.647 11.109 -0.056 1.00 0.00 N ATOM 2128 CA ILE A 128 117.522 10.464 0.694 1.00 0.00 C ATOM 2129 C ILE A 128 117.259 11.229 1.996 1.00 0.00 C ATOM 2130 O ILE A 128 118.183 11.630 2.682 1.00 0.00 O ATOM 2131 CB ILE A 128 117.943 9.009 0.966 1.00 0.00 C ATOM 2132 CG1 ILE A 128 119.272 8.936 1.731 1.00 0.00 C ATOM 2133 CG2 ILE A 128 118.092 8.268 -0.366 1.00 0.00 C ATOM 2134 CD1 ILE A 128 119.481 7.516 2.265 1.00 0.00 C ATOM 0 H ILE A 128 119.560 11.023 0.391 1.00 0.00 H new ATOM 0 HA ILE A 128 116.594 10.481 0.122 1.00 0.00 H new ATOM 0 HB ILE A 128 117.171 8.545 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 128 120.097 9.213 1.074 1.00 0.00 H new ATOM 0 HG13 ILE A 128 119.268 9.648 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 128 118.390 7.237 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 128 117.140 8.279 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 128 118.852 8.760 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 128 120.425 7.467 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 128 118.663 7.256 2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 128 119.504 6.814 1.432 1.00 0.00 H new ATOM 2146 N LEU A 129 116.002 11.427 2.322 1.00 0.00 N ATOM 2147 CA LEU A 129 115.626 12.277 3.491 1.00 0.00 C ATOM 2148 C LEU A 129 115.078 11.396 4.618 1.00 0.00 C ATOM 2149 O LEU A 129 114.245 10.539 4.380 1.00 0.00 O ATOM 2150 CB LEU A 129 114.530 13.201 2.945 1.00 0.00 C ATOM 2151 CG LEU A 129 114.111 14.233 4.006 1.00 0.00 C ATOM 2152 CD1 LEU A 129 114.980 15.486 3.887 1.00 0.00 C ATOM 2153 CD2 LEU A 129 112.645 14.622 3.802 1.00 0.00 C ATOM 0 H LEU A 129 115.211 11.028 1.817 1.00 0.00 H new ATOM 0 HA LEU A 129 116.468 12.833 3.904 1.00 0.00 H new ATOM 0 HB2 LEU A 129 114.891 13.714 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 129 113.665 12.610 2.644 1.00 0.00 H new ATOM 0 HG LEU A 129 114.240 13.791 4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 129 114.677 16.212 4.642 1.00 0.00 H new ATOM 0 HD12 LEU A 129 116.026 15.219 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 129 114.857 15.921 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 129 112.354 15.353 4.556 1.00 0.00 H new ATOM 0 HD22 LEU A 129 112.518 15.055 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 129 112.017 13.736 3.895 1.00 0.00 H new