USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 862 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 75 ASN : amide:sc= -0.0988 X(o=-0.099,f=0.27) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 65:sc= 1.2 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= -0.133 (180deg=-0.133) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 9:sc= 0.233 USER MOD Single : A 32 SER OG : rot -127:sc= 0.0682 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00377 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 146:sc= -0.0516 (180deg=-1.33!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= -0.27 (180deg=-0.973) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 84 TYR OH : rot 138:sc= -2.95! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0.37 USER MOD Single : A 93 MET CE :methyl -149:sc= -3.18! (180deg=-5.5!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 32:sc= 0.548 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.0523 USER MOD Single : A 113 THR OG1 : rot 38:sc= 0.876 USER MOD Single : A 114 GLN : amide:sc= -0.0105 K(o=-0.011,f=-3.5!) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.489 3.069 -28.574 1.00 0.00 N ATOM 2 CA GLY A 1 -16.807 1.653 -28.539 1.00 0.00 C ATOM 3 C GLY A 1 -17.001 1.138 -27.126 1.00 0.00 C ATOM 4 O GLY A 1 -16.097 1.228 -26.296 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.366 3.373 -29.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.264 3.610 -28.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.609 3.240 -28.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.714 1.473 -29.116 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.006 1.092 -29.020 1.00 0.00 H new ATOM 8 N SER A 2 -18.184 0.597 -26.852 1.00 0.00 N ATOM 9 CA SER A 2 -18.495 0.070 -25.529 1.00 0.00 C ATOM 10 C SER A 2 -18.771 -1.430 -25.592 1.00 0.00 C ATOM 11 O SER A 2 -19.839 -1.858 -26.028 1.00 0.00 O ATOM 12 CB SER A 2 -19.705 0.797 -24.939 1.00 0.00 C ATOM 13 OG SER A 2 -19.806 0.570 -23.544 1.00 0.00 O ATOM 0 H SER A 2 -18.942 0.512 -27.529 1.00 0.00 H new ATOM 0 HA SER A 2 -17.630 0.236 -24.887 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.620 1.867 -25.131 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.615 0.456 -25.433 1.00 0.00 H new ATOM 0 HG SER A 2 -20.586 1.047 -23.191 1.00 0.00 H new ATOM 19 N SER A 3 -17.798 -2.222 -25.154 1.00 0.00 N ATOM 20 CA SER A 3 -17.932 -3.674 -25.163 1.00 0.00 C ATOM 21 C SER A 3 -17.198 -4.296 -23.979 1.00 0.00 C ATOM 22 O SER A 3 -16.522 -3.603 -23.220 1.00 0.00 O ATOM 23 CB SER A 3 -17.389 -4.249 -26.473 1.00 0.00 C ATOM 24 OG SER A 3 -17.745 -5.613 -26.618 1.00 0.00 O ATOM 0 H SER A 3 -16.908 -1.883 -24.788 1.00 0.00 H new ATOM 0 HA SER A 3 -18.991 -3.916 -25.079 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.780 -3.677 -27.314 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.304 -4.149 -26.496 1.00 0.00 H new ATOM 0 HG SER A 3 -17.388 -5.956 -27.464 1.00 0.00 H new ATOM 30 N GLY A 4 -17.337 -5.609 -23.828 1.00 0.00 N ATOM 31 CA GLY A 4 -16.683 -6.304 -22.734 1.00 0.00 C ATOM 32 C GLY A 4 -17.234 -7.699 -22.521 1.00 0.00 C ATOM 33 O GLY A 4 -18.387 -7.976 -22.851 1.00 0.00 O ATOM 0 H GLY A 4 -17.891 -6.205 -24.444 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.613 -6.366 -22.935 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.802 -5.726 -21.818 1.00 0.00 H new ATOM 37 N SER A 5 -16.408 -8.582 -21.969 1.00 0.00 N ATOM 38 CA SER A 5 -16.817 -9.959 -21.717 1.00 0.00 C ATOM 39 C SER A 5 -15.881 -10.630 -20.717 1.00 0.00 C ATOM 40 O SER A 5 -14.672 -10.399 -20.730 1.00 0.00 O ATOM 41 CB SER A 5 -16.840 -10.754 -23.025 1.00 0.00 C ATOM 42 OG SER A 5 -17.534 -11.978 -22.865 1.00 0.00 O ATOM 0 H SER A 5 -15.451 -8.368 -21.688 1.00 0.00 H new ATOM 0 HA SER A 5 -17.821 -9.942 -21.293 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.316 -10.162 -23.806 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.819 -10.951 -23.352 1.00 0.00 H new ATOM 0 HG SER A 5 -17.536 -12.466 -23.715 1.00 0.00 H new ATOM 48 N SER A 6 -16.449 -11.462 -19.850 1.00 0.00 N ATOM 49 CA SER A 6 -15.667 -12.165 -18.840 1.00 0.00 C ATOM 50 C SER A 6 -16.066 -13.636 -18.770 1.00 0.00 C ATOM 51 O SER A 6 -16.996 -14.072 -19.447 1.00 0.00 O ATOM 52 CB SER A 6 -15.856 -11.508 -17.471 1.00 0.00 C ATOM 53 OG SER A 6 -14.853 -11.927 -16.562 1.00 0.00 O ATOM 0 H SER A 6 -17.448 -11.666 -19.827 1.00 0.00 H new ATOM 0 HA SER A 6 -14.616 -12.105 -19.123 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.825 -10.424 -17.577 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.839 -11.762 -17.075 1.00 0.00 H new ATOM 0 HG SER A 6 -14.995 -11.492 -15.695 1.00 0.00 H new ATOM 59 N GLY A 7 -15.354 -14.397 -17.944 1.00 0.00 N ATOM 60 CA GLY A 7 -15.648 -15.811 -17.800 1.00 0.00 C ATOM 61 C GLY A 7 -16.005 -16.187 -16.376 1.00 0.00 C ATOM 62 O GLY A 7 -15.567 -15.537 -15.427 1.00 0.00 O ATOM 0 H GLY A 7 -14.579 -14.060 -17.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.474 -16.076 -18.460 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.784 -16.393 -18.120 1.00 0.00 H new ATOM 66 N ARG A 8 -16.804 -17.238 -16.225 1.00 0.00 N ATOM 67 CA ARG A 8 -17.223 -17.697 -14.906 1.00 0.00 C ATOM 68 C ARG A 8 -16.623 -19.065 -14.591 1.00 0.00 C ATOM 69 O ARG A 8 -17.253 -20.097 -14.820 1.00 0.00 O ATOM 70 CB ARG A 8 -18.749 -17.767 -14.828 1.00 0.00 C ATOM 71 CG ARG A 8 -19.296 -17.576 -13.423 1.00 0.00 C ATOM 72 CD ARG A 8 -20.814 -17.485 -13.423 1.00 0.00 C ATOM 73 NE ARG A 8 -21.375 -17.702 -12.092 1.00 0.00 N ATOM 74 CZ ARG A 8 -21.425 -16.763 -11.154 1.00 0.00 C ATOM 75 NH1 ARG A 8 -20.951 -15.549 -11.400 1.00 0.00 N ATOM 76 NH2 ARG A 8 -21.952 -17.036 -9.967 1.00 0.00 N ATOM 0 H ARG A 8 -17.174 -17.788 -17.000 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.861 -16.982 -14.168 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.173 -17.004 -15.481 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -19.080 -18.733 -15.210 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.980 -18.407 -12.793 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -18.876 -16.669 -12.988 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -21.118 -16.505 -13.789 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -21.222 -18.224 -14.113 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.749 -18.625 -11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -20.547 -15.334 -12.312 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.991 -14.830 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -22.319 -17.968 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.990 -16.314 -9.248 1.00 0.00 H new ATOM 90 N SER A 9 -15.402 -19.063 -14.066 1.00 0.00 N ATOM 91 CA SER A 9 -14.716 -20.303 -13.724 1.00 0.00 C ATOM 92 C SER A 9 -15.631 -21.229 -12.928 1.00 0.00 C ATOM 93 O SER A 9 -16.609 -20.800 -12.315 1.00 0.00 O ATOM 94 CB SER A 9 -13.449 -20.004 -12.920 1.00 0.00 C ATOM 95 OG SER A 9 -12.368 -19.676 -13.776 1.00 0.00 O ATOM 0 H SER A 9 -14.868 -18.217 -13.868 1.00 0.00 H new ATOM 0 HA SER A 9 -14.440 -20.804 -14.652 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.637 -19.179 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.187 -20.871 -12.313 1.00 0.00 H new ATOM 0 HG SER A 9 -11.571 -19.487 -13.238 1.00 0.00 H new ATOM 101 N PRO A 10 -15.306 -22.530 -12.935 1.00 0.00 N ATOM 102 CA PRO A 10 -16.085 -23.544 -12.218 1.00 0.00 C ATOM 103 C PRO A 10 -15.947 -23.418 -10.705 1.00 0.00 C ATOM 104 O PRO A 10 -16.814 -23.866 -9.954 1.00 0.00 O ATOM 105 CB PRO A 10 -15.479 -24.864 -12.702 1.00 0.00 C ATOM 106 CG PRO A 10 -14.089 -24.516 -13.110 1.00 0.00 C ATOM 107 CD PRO A 10 -14.154 -23.112 -13.644 1.00 0.00 C ATOM 0 HA PRO A 10 -17.153 -23.452 -12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.483 -25.615 -11.912 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.045 -25.277 -13.537 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.406 -24.580 -12.263 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.721 -25.206 -13.869 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.236 -22.561 -13.439 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.299 -23.099 -14.724 1.00 0.00 H new ATOM 115 N PHE A 11 -14.854 -22.806 -10.264 1.00 0.00 N ATOM 116 CA PHE A 11 -14.603 -22.621 -8.839 1.00 0.00 C ATOM 117 C PHE A 11 -14.917 -23.896 -8.062 1.00 0.00 C ATOM 118 O PHE A 11 -15.520 -23.850 -6.989 1.00 0.00 O ATOM 119 CB PHE A 11 -15.441 -21.461 -8.298 1.00 0.00 C ATOM 120 CG PHE A 11 -14.752 -20.129 -8.393 1.00 0.00 C ATOM 121 CD1 PHE A 11 -14.754 -19.416 -9.581 1.00 0.00 C ATOM 122 CD2 PHE A 11 -14.103 -19.590 -7.293 1.00 0.00 C ATOM 123 CE1 PHE A 11 -14.120 -18.191 -9.670 1.00 0.00 C ATOM 124 CE2 PHE A 11 -13.468 -18.365 -7.377 1.00 0.00 C ATOM 125 CZ PHE A 11 -13.478 -17.664 -8.567 1.00 0.00 C ATOM 0 H PHE A 11 -14.127 -22.429 -10.873 1.00 0.00 H new ATOM 0 HA PHE A 11 -13.546 -22.388 -8.709 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -16.381 -21.415 -8.848 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.691 -21.659 -7.256 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -15.256 -19.822 -10.447 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -14.093 -20.133 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.127 -17.646 -10.602 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.965 -17.957 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 11 -12.985 -16.706 -8.635 1.00 0.00 H new ATOM 135 N LYS A 12 -14.505 -25.033 -8.612 1.00 0.00 N ATOM 136 CA LYS A 12 -14.741 -26.322 -7.972 1.00 0.00 C ATOM 137 C LYS A 12 -13.509 -26.779 -7.198 1.00 0.00 C ATOM 138 O LYS A 12 -12.889 -27.787 -7.537 1.00 0.00 O ATOM 139 CB LYS A 12 -15.118 -27.373 -9.019 1.00 0.00 C ATOM 140 CG LYS A 12 -16.552 -27.258 -9.507 1.00 0.00 C ATOM 141 CD LYS A 12 -17.485 -28.156 -8.713 1.00 0.00 C ATOM 142 CE LYS A 12 -18.153 -27.399 -7.575 1.00 0.00 C ATOM 143 NZ LYS A 12 -19.446 -26.793 -7.996 1.00 0.00 N ATOM 0 H LYS A 12 -14.006 -25.088 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.566 -26.205 -7.270 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.445 -27.283 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.965 -28.366 -8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.884 -26.223 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -16.600 -27.524 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.247 -28.567 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.924 -29.000 -8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.325 -28.077 -6.739 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.484 -26.616 -7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.870 -26.286 -7.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -19.279 -26.127 -8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.094 -27.542 -8.313 1.00 0.00 H new ATOM 157 N VAL A 13 -13.159 -26.032 -6.156 1.00 0.00 N ATOM 158 CA VAL A 13 -12.002 -26.362 -5.332 1.00 0.00 C ATOM 159 C VAL A 13 -12.343 -26.282 -3.848 1.00 0.00 C ATOM 160 O VAL A 13 -13.091 -25.403 -3.418 1.00 0.00 O ATOM 161 CB VAL A 13 -10.817 -25.423 -5.627 1.00 0.00 C ATOM 162 CG1 VAL A 13 -9.637 -25.755 -4.727 1.00 0.00 C ATOM 163 CG2 VAL A 13 -10.422 -25.509 -7.093 1.00 0.00 C ATOM 0 H VAL A 13 -13.660 -25.194 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.717 -27.384 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.126 -24.399 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.809 -25.082 -4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.931 -25.637 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.324 -26.784 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.583 -24.839 -7.284 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.131 -26.532 -7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.268 -25.218 -7.715 1.00 0.00 H new ATOM 173 N LYS A 14 -11.790 -27.204 -3.069 1.00 0.00 N ATOM 174 CA LYS A 14 -12.032 -27.239 -1.632 1.00 0.00 C ATOM 175 C LYS A 14 -10.724 -27.393 -0.862 1.00 0.00 C ATOM 176 O LYS A 14 -10.588 -28.281 -0.021 1.00 0.00 O ATOM 177 CB LYS A 14 -12.981 -28.388 -1.281 1.00 0.00 C ATOM 178 CG LYS A 14 -14.450 -28.023 -1.405 1.00 0.00 C ATOM 179 CD LYS A 14 -15.342 -29.245 -1.264 1.00 0.00 C ATOM 180 CE LYS A 14 -16.814 -28.865 -1.271 1.00 0.00 C ATOM 181 NZ LYS A 14 -17.296 -28.537 -2.641 1.00 0.00 N ATOM 0 H LYS A 14 -11.170 -27.939 -3.409 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.493 -26.294 -1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.769 -29.235 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -12.781 -28.714 -0.260 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.710 -27.291 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.628 -27.551 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.141 -29.940 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.104 -29.765 -0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.403 -29.688 -0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.971 -28.008 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.304 -28.283 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.751 -27.735 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.170 -29.363 -3.260 1.00 0.00 H new ATOM 195 N VAL A 15 -9.765 -26.520 -1.155 1.00 0.00 N ATOM 196 CA VAL A 15 -8.468 -26.558 -0.489 1.00 0.00 C ATOM 197 C VAL A 15 -8.046 -25.167 -0.029 1.00 0.00 C ATOM 198 O VAL A 15 -8.320 -24.170 -0.699 1.00 0.00 O ATOM 199 CB VAL A 15 -7.379 -27.134 -1.413 1.00 0.00 C ATOM 200 CG1 VAL A 15 -7.735 -28.550 -1.840 1.00 0.00 C ATOM 201 CG2 VAL A 15 -7.180 -26.237 -2.625 1.00 0.00 C ATOM 0 H VAL A 15 -9.862 -25.778 -1.849 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.577 -27.207 0.380 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.441 -27.172 -0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.954 -28.940 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.822 -29.185 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.684 -28.541 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.407 -26.659 -3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.114 -26.165 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.876 -25.243 -2.296 1.00 0.00 H new ATOM 211 N LEU A 16 -7.377 -25.106 1.117 1.00 0.00 N ATOM 212 CA LEU A 16 -6.916 -23.837 1.667 1.00 0.00 C ATOM 213 C LEU A 16 -6.041 -23.094 0.662 1.00 0.00 C ATOM 214 O LEU A 16 -5.267 -23.692 -0.086 1.00 0.00 O ATOM 215 CB LEU A 16 -6.137 -24.073 2.962 1.00 0.00 C ATOM 216 CG LEU A 16 -6.823 -24.953 4.007 1.00 0.00 C ATOM 217 CD1 LEU A 16 -5.814 -25.453 5.029 1.00 0.00 C ATOM 218 CD2 LEU A 16 -7.947 -24.190 4.693 1.00 0.00 C ATOM 0 H LEU A 16 -7.142 -25.921 1.683 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.791 -23.223 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.178 -24.525 2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.923 -23.105 3.415 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.254 -25.816 3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.320 -26.078 5.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.045 -26.038 4.525 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.353 -24.603 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.424 -24.832 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.539 -23.308 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.684 -23.883 3.951 1.00 0.00 H new ATOM 230 N PRO A 17 -6.163 -21.758 0.645 1.00 0.00 N ATOM 231 CA PRO A 17 -5.389 -20.904 -0.262 1.00 0.00 C ATOM 232 C PRO A 17 -3.910 -20.862 0.104 1.00 0.00 C ATOM 233 O PRO A 17 -3.528 -21.184 1.230 1.00 0.00 O ATOM 234 CB PRO A 17 -6.025 -19.524 -0.078 1.00 0.00 C ATOM 235 CG PRO A 17 -6.620 -19.560 1.287 1.00 0.00 C ATOM 236 CD PRO A 17 -7.066 -20.979 1.508 1.00 0.00 C ATOM 0 HA PRO A 17 -5.417 -21.268 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.282 -18.731 -0.165 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.785 -19.334 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.890 -19.259 2.039 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.461 -18.870 1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.974 -21.271 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.110 -21.120 1.229 1.00 0.00 H new ATOM 244 N THR A 18 -3.079 -20.462 -0.854 1.00 0.00 N ATOM 245 CA THR A 18 -1.641 -20.378 -0.632 1.00 0.00 C ATOM 246 C THR A 18 -1.247 -19.009 -0.091 1.00 0.00 C ATOM 247 O THR A 18 -0.232 -18.869 0.593 1.00 0.00 O ATOM 248 CB THR A 18 -0.856 -20.649 -1.930 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.276 -21.891 -2.506 1.00 0.00 O ATOM 250 CG2 THR A 18 0.640 -20.691 -1.659 1.00 0.00 C ATOM 0 H THR A 18 -3.378 -20.191 -1.791 1.00 0.00 H new ATOM 0 HA THR A 18 -1.390 -21.142 0.103 1.00 0.00 H new ATOM 0 HB THR A 18 -1.060 -19.837 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.774 -22.055 -3.331 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.173 -20.884 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.962 -19.734 -1.248 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.858 -21.485 -0.945 1.00 0.00 H new ATOM 258 N TYR A 19 -2.055 -18.001 -0.398 1.00 0.00 N ATOM 259 CA TYR A 19 -1.790 -16.642 0.057 1.00 0.00 C ATOM 260 C TYR A 19 -1.947 -16.533 1.570 1.00 0.00 C ATOM 261 O TYR A 19 -2.758 -17.237 2.174 1.00 0.00 O ATOM 262 CB TYR A 19 -2.732 -15.656 -0.637 1.00 0.00 C ATOM 263 CG TYR A 19 -4.060 -15.491 0.067 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.215 -14.568 1.093 1.00 0.00 C ATOM 265 CD2 TYR A 19 -5.161 -16.258 -0.296 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.426 -14.414 1.739 1.00 0.00 C ATOM 267 CE2 TYR A 19 -6.376 -16.110 0.343 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.504 -15.187 1.361 1.00 0.00 C ATOM 269 OH TYR A 19 -7.713 -15.036 2.001 1.00 0.00 O ATOM 0 H TYR A 19 -2.900 -18.100 -0.961 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.761 -16.394 -0.202 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.242 -14.684 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.911 -15.994 -1.658 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.374 -13.960 1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.064 -16.982 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.528 -13.692 2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.222 -16.713 0.048 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.069 -14.141 1.821 1.00 0.00 H new ATOM 279 N ASP A 20 -1.166 -15.647 2.178 1.00 0.00 N ATOM 280 CA ASP A 20 -1.218 -15.444 3.621 1.00 0.00 C ATOM 281 C ASP A 20 -0.886 -13.998 3.978 1.00 0.00 C ATOM 282 O ASP A 20 0.253 -13.557 3.829 1.00 0.00 O ATOM 283 CB ASP A 20 -0.247 -16.392 4.326 1.00 0.00 C ATOM 284 CG ASP A 20 -0.888 -17.720 4.678 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.064 -17.718 5.097 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.214 -18.762 4.535 1.00 0.00 O ATOM 0 H ASP A 20 -0.489 -15.058 1.694 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.232 -15.659 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.616 -16.567 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.123 -15.918 5.235 1.00 0.00 H new ATOM 291 N ALA A 21 -1.890 -13.266 4.450 1.00 0.00 N ATOM 292 CA ALA A 21 -1.705 -11.870 4.829 1.00 0.00 C ATOM 293 C ALA A 21 -0.750 -11.745 6.012 1.00 0.00 C ATOM 294 O ALA A 21 0.137 -10.893 6.018 1.00 0.00 O ATOM 295 CB ALA A 21 -3.045 -11.231 5.160 1.00 0.00 C ATOM 0 H ALA A 21 -2.839 -13.616 4.579 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.264 -11.344 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.892 -10.189 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.697 -11.279 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.508 -11.766 5.989 1.00 0.00 H new ATOM 301 N SER A 22 -0.940 -12.600 7.012 1.00 0.00 N ATOM 302 CA SER A 22 -0.099 -12.582 8.203 1.00 0.00 C ATOM 303 C SER A 22 1.379 -12.615 7.825 1.00 0.00 C ATOM 304 O SER A 22 2.221 -12.034 8.510 1.00 0.00 O ATOM 305 CB SER A 22 -0.432 -13.770 9.107 1.00 0.00 C ATOM 306 OG SER A 22 -0.236 -14.998 8.428 1.00 0.00 O ATOM 0 H SER A 22 -1.669 -13.314 7.021 1.00 0.00 H new ATOM 0 HA SER A 22 -0.298 -11.657 8.744 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.195 -13.740 9.998 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.467 -13.697 9.442 1.00 0.00 H new ATOM 0 HG SER A 22 -0.454 -15.742 9.028 1.00 0.00 H new ATOM 312 N LYS A 23 1.687 -13.299 6.729 1.00 0.00 N ATOM 313 CA LYS A 23 3.062 -13.409 6.256 1.00 0.00 C ATOM 314 C LYS A 23 3.419 -12.240 5.344 1.00 0.00 C ATOM 315 O LYS A 23 4.176 -12.395 4.386 1.00 0.00 O ATOM 316 CB LYS A 23 3.263 -14.731 5.511 1.00 0.00 C ATOM 317 CG LYS A 23 2.917 -15.955 6.340 1.00 0.00 C ATOM 318 CD LYS A 23 3.837 -16.092 7.542 1.00 0.00 C ATOM 319 CE LYS A 23 5.235 -16.526 7.128 1.00 0.00 C ATOM 320 NZ LYS A 23 5.376 -18.008 7.118 1.00 0.00 N ATOM 0 H LYS A 23 1.002 -13.786 6.151 1.00 0.00 H new ATOM 0 HA LYS A 23 3.721 -13.384 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.649 -14.728 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.302 -14.803 5.189 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.883 -15.886 6.678 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.991 -16.848 5.720 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.892 -15.140 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.421 -16.819 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.458 -16.133 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.966 -16.096 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.343 -18.263 6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.188 -18.381 8.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.696 -18.417 6.446 1.00 0.00 H new ATOM 334 N VAL A 24 2.869 -11.068 5.649 1.00 0.00 N ATOM 335 CA VAL A 24 3.132 -9.872 4.858 1.00 0.00 C ATOM 336 C VAL A 24 3.731 -8.765 5.718 1.00 0.00 C ATOM 337 O VAL A 24 3.172 -8.394 6.751 1.00 0.00 O ATOM 338 CB VAL A 24 1.847 -9.348 4.189 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.133 -8.077 3.405 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.242 -10.415 3.289 1.00 0.00 C ATOM 0 H VAL A 24 2.239 -10.922 6.438 1.00 0.00 H new ATOM 0 HA VAL A 24 3.847 -10.155 4.085 1.00 0.00 H new ATOM 0 HB VAL A 24 1.123 -9.110 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.214 -7.722 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.517 -7.312 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.874 -8.285 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.335 -10.028 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.959 -10.687 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.998 -11.296 3.883 1.00 0.00 H new ATOM 350 N THR A 25 4.874 -8.240 5.286 1.00 0.00 N ATOM 351 CA THR A 25 5.551 -7.176 6.016 1.00 0.00 C ATOM 352 C THR A 25 6.120 -6.131 5.063 1.00 0.00 C ATOM 353 O THR A 25 6.502 -6.447 3.937 1.00 0.00 O ATOM 354 CB THR A 25 6.691 -7.732 6.890 1.00 0.00 C ATOM 355 OG1 THR A 25 7.626 -8.449 6.078 1.00 0.00 O ATOM 356 CG2 THR A 25 6.144 -8.649 7.973 1.00 0.00 C ATOM 0 H THR A 25 5.350 -8.535 4.434 1.00 0.00 H new ATOM 0 HA THR A 25 4.805 -6.709 6.659 1.00 0.00 H new ATOM 0 HB THR A 25 7.195 -6.892 7.368 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.348 -8.798 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.967 -9.030 8.578 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.455 -8.092 8.608 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.617 -9.484 7.511 1.00 0.00 H new ATOM 364 N ALA A 26 6.173 -4.885 5.522 1.00 0.00 N ATOM 365 CA ALA A 26 6.698 -3.794 4.711 1.00 0.00 C ATOM 366 C ALA A 26 7.690 -2.949 5.503 1.00 0.00 C ATOM 367 O ALA A 26 7.575 -2.819 6.722 1.00 0.00 O ATOM 368 CB ALA A 26 5.561 -2.927 4.192 1.00 0.00 C ATOM 0 H ALA A 26 5.859 -4.606 6.451 1.00 0.00 H new ATOM 0 HA ALA A 26 7.226 -4.228 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.968 -2.116 3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.891 -3.533 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.008 -2.510 5.034 1.00 0.00 H new ATOM 374 N SER A 27 8.665 -2.377 4.803 1.00 0.00 N ATOM 375 CA SER A 27 9.680 -1.548 5.442 1.00 0.00 C ATOM 376 C SER A 27 10.171 -0.461 4.491 1.00 0.00 C ATOM 377 O SER A 27 10.205 -0.652 3.277 1.00 0.00 O ATOM 378 CB SER A 27 10.858 -2.410 5.902 1.00 0.00 C ATOM 379 OG SER A 27 10.524 -3.154 7.060 1.00 0.00 O ATOM 0 H SER A 27 8.773 -2.473 3.793 1.00 0.00 H new ATOM 0 HA SER A 27 9.229 -1.069 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.150 -3.089 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.718 -1.774 6.110 1.00 0.00 H new ATOM 0 HG SER A 27 9.566 -3.062 7.243 1.00 0.00 H new ATOM 385 N GLY A 28 10.552 0.682 5.055 1.00 0.00 N ATOM 386 CA GLY A 28 11.036 1.784 4.244 1.00 0.00 C ATOM 387 C GLY A 28 10.605 3.133 4.783 1.00 0.00 C ATOM 388 O GLY A 28 10.019 3.237 5.861 1.00 0.00 O ATOM 0 H GLY A 28 10.534 0.864 6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.124 1.746 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.669 1.669 3.224 1.00 0.00 H new ATOM 392 N PRO A 29 10.899 4.199 4.024 1.00 0.00 N ATOM 393 CA PRO A 29 10.549 5.569 4.412 1.00 0.00 C ATOM 394 C PRO A 29 9.046 5.820 4.356 1.00 0.00 C ATOM 395 O PRO A 29 8.498 6.553 5.179 1.00 0.00 O ATOM 396 CB PRO A 29 11.274 6.429 3.374 1.00 0.00 C ATOM 397 CG PRO A 29 11.424 5.542 2.186 1.00 0.00 C ATOM 398 CD PRO A 29 11.596 4.150 2.728 1.00 0.00 C ATOM 0 HA PRO A 29 10.836 5.787 5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.700 7.323 3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.243 6.763 3.744 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.548 5.604 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.285 5.836 1.585 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.159 3.404 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.648 3.893 2.847 1.00 0.00 H new ATOM 406 N GLY A 30 8.384 5.207 3.379 1.00 0.00 N ATOM 407 CA GLY A 30 6.950 5.378 3.235 1.00 0.00 C ATOM 408 C GLY A 30 6.197 5.067 4.513 1.00 0.00 C ATOM 409 O GLY A 30 5.134 5.634 4.771 1.00 0.00 O ATOM 0 H GLY A 30 8.815 4.596 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 30 6.738 6.404 2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.588 4.729 2.437 1.00 0.00 H new ATOM 413 N LEU A 31 6.746 4.162 5.316 1.00 0.00 N ATOM 414 CA LEU A 31 6.119 3.775 6.575 1.00 0.00 C ATOM 415 C LEU A 31 7.009 4.135 7.760 1.00 0.00 C ATOM 416 O LEU A 31 6.948 3.497 8.811 1.00 0.00 O ATOM 417 CB LEU A 31 5.825 2.274 6.581 1.00 0.00 C ATOM 418 CG LEU A 31 5.125 1.723 5.338 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.435 0.244 5.163 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.623 1.949 5.427 1.00 0.00 C ATOM 0 H LEU A 31 7.624 3.682 5.118 1.00 0.00 H new ATOM 0 HA LEU A 31 5.181 4.323 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.766 1.740 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.208 2.048 7.451 1.00 0.00 H new ATOM 0 HG LEU A 31 5.501 2.258 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.929 -0.131 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.511 0.108 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.088 -0.306 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.142 1.551 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.230 1.441 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.420 3.017 5.503 1.00 0.00 H new ATOM 432 N SER A 32 7.834 5.162 7.584 1.00 0.00 N ATOM 433 CA SER A 32 8.738 5.606 8.639 1.00 0.00 C ATOM 434 C SER A 32 7.957 6.084 9.859 1.00 0.00 C ATOM 435 O SER A 32 7.155 7.014 9.771 1.00 0.00 O ATOM 436 CB SER A 32 9.642 6.729 8.126 1.00 0.00 C ATOM 437 OG SER A 32 10.247 7.427 9.200 1.00 0.00 O ATOM 0 H SER A 32 7.895 5.702 6.721 1.00 0.00 H new ATOM 0 HA SER A 32 9.356 4.758 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.413 6.312 7.479 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.058 7.422 7.521 1.00 0.00 H new ATOM 0 HG SER A 32 10.074 8.387 9.105 1.00 0.00 H new ATOM 443 N SER A 33 8.198 5.442 10.997 1.00 0.00 N ATOM 444 CA SER A 33 7.514 5.798 12.235 1.00 0.00 C ATOM 445 C SER A 33 7.912 7.198 12.691 1.00 0.00 C ATOM 446 O SER A 33 7.089 7.948 13.218 1.00 0.00 O ATOM 447 CB SER A 33 7.838 4.781 13.331 1.00 0.00 C ATOM 448 OG SER A 33 9.237 4.611 13.473 1.00 0.00 O ATOM 0 H SER A 33 8.862 4.673 11.088 1.00 0.00 H new ATOM 0 HA SER A 33 6.441 5.788 12.045 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.411 5.114 14.277 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.375 3.824 13.091 1.00 0.00 H new ATOM 0 HG SER A 33 9.417 3.957 14.181 1.00 0.00 H new ATOM 454 N TYR A 34 9.178 7.543 12.486 1.00 0.00 N ATOM 455 CA TYR A 34 9.686 8.852 12.878 1.00 0.00 C ATOM 456 C TYR A 34 8.933 9.967 12.159 1.00 0.00 C ATOM 457 O TYR A 34 8.753 11.058 12.698 1.00 0.00 O ATOM 458 CB TYR A 34 11.182 8.953 12.574 1.00 0.00 C ATOM 459 CG TYR A 34 12.004 7.852 13.204 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.048 7.695 14.584 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.737 6.969 12.421 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.799 6.690 15.165 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.489 5.961 12.993 1.00 0.00 C ATOM 464 CZ TYR A 34 13.516 5.826 14.365 1.00 0.00 C ATOM 465 OH TYR A 34 14.265 4.824 14.939 1.00 0.00 O ATOM 0 H TYR A 34 9.871 6.934 12.051 1.00 0.00 H new ATOM 0 HA TYR A 34 9.531 8.967 13.951 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.327 8.930 11.494 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.551 9.917 12.925 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.486 8.369 15.213 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.719 7.072 11.346 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.824 6.582 16.239 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.052 5.283 12.369 1.00 0.00 H new ATOM 0 HH TYR A 34 14.708 4.303 14.237 1.00 0.00 H new ATOM 475 N GLY A 35 8.495 9.683 10.936 1.00 0.00 N ATOM 476 CA GLY A 35 7.766 10.670 10.161 1.00 0.00 C ATOM 477 C GLY A 35 8.248 10.753 8.726 1.00 0.00 C ATOM 478 O GLY A 35 9.399 10.434 8.431 1.00 0.00 O ATOM 0 H GLY A 35 8.632 8.787 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.704 10.423 10.171 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.870 11.647 10.633 1.00 0.00 H new ATOM 482 N VAL A 36 7.363 11.180 7.831 1.00 0.00 N ATOM 483 CA VAL A 36 7.704 11.303 6.418 1.00 0.00 C ATOM 484 C VAL A 36 7.634 12.755 5.960 1.00 0.00 C ATOM 485 O VAL A 36 6.887 13.569 6.505 1.00 0.00 O ATOM 486 CB VAL A 36 6.768 10.453 5.539 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.948 8.973 5.843 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.320 10.875 5.740 1.00 0.00 C ATOM 0 H VAL A 36 6.405 11.446 8.059 1.00 0.00 H new ATOM 0 HA VAL A 36 8.725 10.939 6.306 1.00 0.00 H new ATOM 0 HB VAL A 36 7.029 10.619 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.279 8.388 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.980 8.683 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.715 8.786 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.672 10.264 5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.043 10.740 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.206 11.924 5.467 1.00 0.00 H new ATOM 498 N PRO A 37 8.430 13.091 4.934 1.00 0.00 N ATOM 499 CA PRO A 37 8.475 14.447 4.379 1.00 0.00 C ATOM 500 C PRO A 37 7.196 14.811 3.633 1.00 0.00 C ATOM 501 O PRO A 37 6.749 14.077 2.752 1.00 0.00 O ATOM 502 CB PRO A 37 9.661 14.395 3.412 1.00 0.00 C ATOM 503 CG PRO A 37 9.774 12.959 3.029 1.00 0.00 C ATOM 504 CD PRO A 37 9.346 12.173 4.237 1.00 0.00 C ATOM 0 HA PRO A 37 8.575 15.203 5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.489 15.025 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.575 14.751 3.887 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.140 12.733 2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.796 12.710 2.744 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.848 11.245 3.957 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.197 11.902 4.862 1.00 0.00 H new ATOM 512 N ALA A 38 6.611 15.950 3.992 1.00 0.00 N ATOM 513 CA ALA A 38 5.384 16.412 3.355 1.00 0.00 C ATOM 514 C ALA A 38 5.658 16.925 1.945 1.00 0.00 C ATOM 515 O ALA A 38 6.685 17.553 1.691 1.00 0.00 O ATOM 516 CB ALA A 38 4.730 17.498 4.196 1.00 0.00 C ATOM 0 H ALA A 38 6.967 16.569 4.720 1.00 0.00 H new ATOM 0 HA ALA A 38 4.701 15.566 3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.815 17.834 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.491 17.100 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.415 18.339 4.301 1.00 0.00 H new ATOM 522 N SER A 39 4.732 16.653 1.031 1.00 0.00 N ATOM 523 CA SER A 39 4.875 17.083 -0.355 1.00 0.00 C ATOM 524 C SER A 39 6.095 16.433 -1.002 1.00 0.00 C ATOM 525 O SER A 39 6.695 16.990 -1.921 1.00 0.00 O ATOM 526 CB SER A 39 4.996 18.606 -0.428 1.00 0.00 C ATOM 527 OG SER A 39 3.730 19.226 -0.285 1.00 0.00 O ATOM 0 H SER A 39 3.874 16.137 1.226 1.00 0.00 H new ATOM 0 HA SER A 39 3.985 16.769 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.667 18.958 0.355 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.439 18.893 -1.381 1.00 0.00 H new ATOM 0 HG SER A 39 3.835 20.199 -0.334 1.00 0.00 H new ATOM 533 N LEU A 40 6.455 15.251 -0.515 1.00 0.00 N ATOM 534 CA LEU A 40 7.603 14.523 -1.044 1.00 0.00 C ATOM 535 C LEU A 40 7.201 13.120 -1.489 1.00 0.00 C ATOM 536 O LEU A 40 6.526 12.384 -0.769 1.00 0.00 O ATOM 537 CB LEU A 40 8.709 14.438 0.009 1.00 0.00 C ATOM 538 CG LEU A 40 9.759 15.549 -0.030 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.455 15.578 -1.382 1.00 0.00 C ATOM 540 CD2 LEU A 40 9.122 16.897 0.274 1.00 0.00 C ATOM 0 H LEU A 40 5.969 14.776 0.245 1.00 0.00 H new ATOM 0 HA LEU A 40 7.977 15.067 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.245 14.438 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.218 13.481 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 40 10.507 15.343 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.199 16.375 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.946 14.621 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.720 15.759 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.884 17.675 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.353 17.112 -0.468 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.672 16.871 1.266 1.00 0.00 H new ATOM 552 N PRO A 41 7.626 12.739 -2.703 1.00 0.00 N ATOM 553 CA PRO A 41 7.324 11.421 -3.269 1.00 0.00 C ATOM 554 C PRO A 41 8.062 10.298 -2.550 1.00 0.00 C ATOM 555 O PRO A 41 9.235 10.039 -2.822 1.00 0.00 O ATOM 556 CB PRO A 41 7.807 11.539 -4.717 1.00 0.00 C ATOM 557 CG PRO A 41 8.859 12.593 -4.681 1.00 0.00 C ATOM 558 CD PRO A 41 8.434 13.565 -3.615 1.00 0.00 C ATOM 0 HA PRO A 41 6.267 11.170 -3.177 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.208 10.592 -5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.992 11.816 -5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.834 12.164 -4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.949 13.088 -5.648 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.292 14.004 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.854 14.389 -4.031 1.00 0.00 H new ATOM 566 N VAL A 42 7.369 9.633 -1.632 1.00 0.00 N ATOM 567 CA VAL A 42 7.959 8.535 -0.874 1.00 0.00 C ATOM 568 C VAL A 42 7.363 7.196 -1.293 1.00 0.00 C ATOM 569 O VAL A 42 6.185 7.110 -1.640 1.00 0.00 O ATOM 570 CB VAL A 42 7.754 8.725 0.640 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.274 8.688 0.988 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.519 7.665 1.418 1.00 0.00 C ATOM 0 H VAL A 42 6.398 9.835 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 42 9.027 8.538 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 42 8.144 9.703 0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.149 8.824 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.756 9.487 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.855 7.726 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.363 7.814 2.486 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.161 6.676 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.582 7.744 1.192 1.00 0.00 H new ATOM 582 N ASP A 43 8.185 6.153 -1.257 1.00 0.00 N ATOM 583 CA ASP A 43 7.739 4.816 -1.632 1.00 0.00 C ATOM 584 C ASP A 43 8.394 3.758 -0.749 1.00 0.00 C ATOM 585 O ASP A 43 9.559 3.884 -0.371 1.00 0.00 O ATOM 586 CB ASP A 43 8.059 4.541 -3.102 1.00 0.00 C ATOM 587 CG ASP A 43 9.443 5.022 -3.492 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.414 4.263 -3.288 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.555 6.156 -4.002 1.00 0.00 O ATOM 0 H ASP A 43 9.163 6.207 -0.972 1.00 0.00 H new ATOM 0 HA ASP A 43 6.660 4.766 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.982 3.471 -3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.316 5.032 -3.731 1.00 0.00 H new ATOM 594 N PHE A 44 7.637 2.715 -0.423 1.00 0.00 N ATOM 595 CA PHE A 44 8.143 1.636 0.417 1.00 0.00 C ATOM 596 C PHE A 44 8.264 0.339 -0.378 1.00 0.00 C ATOM 597 O PHE A 44 7.999 0.308 -1.579 1.00 0.00 O ATOM 598 CB PHE A 44 7.225 1.425 1.622 1.00 0.00 C ATOM 599 CG PHE A 44 5.769 1.352 1.261 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.014 2.507 1.134 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.155 0.128 1.048 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.674 2.443 0.800 1.00 0.00 C ATOM 603 CE2 PHE A 44 3.815 0.058 0.715 1.00 0.00 C ATOM 604 CZ PHE A 44 3.074 1.217 0.592 1.00 0.00 C ATOM 0 H PHE A 44 6.671 2.595 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 44 9.135 1.919 0.770 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.512 0.504 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.375 2.240 2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.478 3.468 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.730 -0.781 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.097 3.351 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.348 -0.902 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.027 1.164 0.333 1.00 0.00 H new ATOM 614 N ALA A 45 8.665 -0.730 0.303 1.00 0.00 N ATOM 615 CA ALA A 45 8.819 -2.030 -0.338 1.00 0.00 C ATOM 616 C ALA A 45 8.219 -3.139 0.519 1.00 0.00 C ATOM 617 O ALA A 45 8.540 -3.265 1.701 1.00 0.00 O ATOM 618 CB ALA A 45 10.289 -2.311 -0.615 1.00 0.00 C ATOM 0 H ALA A 45 8.889 -0.721 1.298 1.00 0.00 H new ATOM 0 HA ALA A 45 8.280 -2.007 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.389 -3.285 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.689 -1.540 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.843 -2.309 0.324 1.00 0.00 H new ATOM 624 N ILE A 46 7.347 -3.940 -0.084 1.00 0.00 N ATOM 625 CA ILE A 46 6.702 -5.038 0.625 1.00 0.00 C ATOM 626 C ILE A 46 7.418 -6.359 0.359 1.00 0.00 C ATOM 627 O ILE A 46 7.260 -6.959 -0.704 1.00 0.00 O ATOM 628 CB ILE A 46 5.223 -5.179 0.220 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.466 -3.882 0.515 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.583 -6.349 0.951 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.260 -3.671 -0.374 1.00 0.00 C ATOM 0 H ILE A 46 7.071 -3.849 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 46 6.758 -4.803 1.688 1.00 0.00 H new ATOM 0 HB ILE A 46 5.172 -5.373 -0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.143 -3.888 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.146 -3.039 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.538 -6.436 0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.110 -7.269 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.642 -6.182 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.772 -2.733 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.578 -3.633 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.560 -4.495 -0.239 1.00 0.00 H new ATOM 643 N ASP A 47 8.203 -6.806 1.333 1.00 0.00 N ATOM 644 CA ASP A 47 8.941 -8.057 1.206 1.00 0.00 C ATOM 645 C ASP A 47 8.138 -9.222 1.778 1.00 0.00 C ATOM 646 O ASP A 47 7.976 -9.340 2.992 1.00 0.00 O ATOM 647 CB ASP A 47 10.290 -7.953 1.919 1.00 0.00 C ATOM 648 CG ASP A 47 11.298 -8.959 1.400 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.131 -10.165 1.679 1.00 0.00 O ATOM 650 OD2 ASP A 47 12.254 -8.541 0.714 1.00 0.00 O ATOM 0 H ASP A 47 8.345 -6.321 2.219 1.00 0.00 H new ATOM 0 HA ASP A 47 9.113 -8.243 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.688 -6.946 1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.145 -8.107 2.988 1.00 0.00 H new ATOM 655 N ALA A 48 7.637 -10.079 0.895 1.00 0.00 N ATOM 656 CA ALA A 48 6.853 -11.235 1.311 1.00 0.00 C ATOM 657 C ALA A 48 7.628 -12.530 1.099 1.00 0.00 C ATOM 658 O ALA A 48 8.091 -12.813 -0.006 1.00 0.00 O ATOM 659 CB ALA A 48 5.533 -11.276 0.556 1.00 0.00 C ATOM 0 H ALA A 48 7.760 -9.994 -0.114 1.00 0.00 H new ATOM 0 HA ALA A 48 6.646 -11.138 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.957 -12.144 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.967 -10.368 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.728 -11.345 -0.514 1.00 0.00 H new ATOM 665 N ARG A 49 7.765 -13.314 2.163 1.00 0.00 N ATOM 666 CA ARG A 49 8.486 -14.579 2.092 1.00 0.00 C ATOM 667 C ARG A 49 7.524 -15.742 1.868 1.00 0.00 C ATOM 668 O ARG A 49 7.668 -16.505 0.913 1.00 0.00 O ATOM 669 CB ARG A 49 9.287 -14.807 3.376 1.00 0.00 C ATOM 670 CG ARG A 49 10.449 -13.841 3.548 1.00 0.00 C ATOM 671 CD ARG A 49 11.033 -13.917 4.949 1.00 0.00 C ATOM 672 NE ARG A 49 11.603 -12.641 5.375 1.00 0.00 N ATOM 673 CZ ARG A 49 12.490 -12.524 6.357 1.00 0.00 C ATOM 674 NH1 ARG A 49 12.906 -13.599 7.011 1.00 0.00 N ATOM 675 NH2 ARG A 49 12.962 -11.328 6.686 1.00 0.00 N ATOM 0 H ARG A 49 7.386 -13.095 3.085 1.00 0.00 H new ATOM 0 HA ARG A 49 9.172 -14.529 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.619 -14.715 4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.670 -15.827 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.224 -14.069 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.111 -12.824 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.255 -14.218 5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.804 -14.687 4.979 1.00 0.00 H new ATOM 0 HE ARG A 49 11.304 -11.794 4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.545 -14.520 6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.587 -13.506 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.644 -10.499 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.643 -11.238 7.440 1.00 0.00 H new ATOM 689 N ASP A 50 6.543 -15.870 2.755 1.00 0.00 N ATOM 690 CA ASP A 50 5.556 -16.939 2.654 1.00 0.00 C ATOM 691 C ASP A 50 4.144 -16.368 2.559 1.00 0.00 C ATOM 692 O ASP A 50 3.184 -16.981 3.024 1.00 0.00 O ATOM 693 CB ASP A 50 5.661 -17.874 3.860 1.00 0.00 C ATOM 694 CG ASP A 50 6.537 -19.080 3.583 1.00 0.00 C ATOM 695 OD1 ASP A 50 6.146 -19.919 2.745 1.00 0.00 O ATOM 696 OD2 ASP A 50 7.616 -19.184 4.204 1.00 0.00 O ATOM 0 H ASP A 50 6.410 -15.247 3.552 1.00 0.00 H new ATOM 0 HA ASP A 50 5.761 -17.505 1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.065 -17.323 4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.664 -18.210 4.143 1.00 0.00 H new ATOM 701 N ALA A 51 4.028 -15.190 1.955 1.00 0.00 N ATOM 702 CA ALA A 51 2.734 -14.537 1.798 1.00 0.00 C ATOM 703 C ALA A 51 1.985 -15.086 0.589 1.00 0.00 C ATOM 704 O ALA A 51 0.985 -14.517 0.154 1.00 0.00 O ATOM 705 CB ALA A 51 2.915 -13.032 1.670 1.00 0.00 C ATOM 0 H ALA A 51 4.814 -14.669 1.567 1.00 0.00 H new ATOM 0 HA ALA A 51 2.139 -14.746 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.941 -12.557 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.402 -12.647 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.532 -12.813 0.799 1.00 0.00 H new ATOM 711 N GLY A 52 2.476 -16.198 0.048 1.00 0.00 N ATOM 712 CA GLY A 52 1.840 -16.805 -1.106 1.00 0.00 C ATOM 713 C GLY A 52 1.520 -15.794 -2.190 1.00 0.00 C ATOM 714 O GLY A 52 2.208 -14.784 -2.327 1.00 0.00 O ATOM 0 H GLY A 52 3.303 -16.689 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.494 -17.576 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.921 -17.300 -0.792 1.00 0.00 H new ATOM 718 N GLU A 53 0.473 -16.068 -2.962 1.00 0.00 N ATOM 719 CA GLU A 53 0.065 -15.176 -4.040 1.00 0.00 C ATOM 720 C GLU A 53 -1.370 -14.699 -3.839 1.00 0.00 C ATOM 721 O GLU A 53 -2.300 -15.502 -3.778 1.00 0.00 O ATOM 722 CB GLU A 53 0.195 -15.880 -5.392 1.00 0.00 C ATOM 723 CG GLU A 53 -0.840 -16.971 -5.612 1.00 0.00 C ATOM 724 CD GLU A 53 -0.349 -18.062 -6.543 1.00 0.00 C ATOM 725 OE1 GLU A 53 0.692 -18.680 -6.236 1.00 0.00 O ATOM 726 OE2 GLU A 53 -1.005 -18.299 -7.579 1.00 0.00 O ATOM 0 H GLU A 53 -0.108 -16.900 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 53 0.723 -14.307 -4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.106 -15.140 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.191 -16.315 -5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.108 -17.411 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.747 -16.528 -6.024 1.00 0.00 H new ATOM 733 N GLY A 54 -1.542 -13.384 -3.734 1.00 0.00 N ATOM 734 CA GLY A 54 -2.865 -12.822 -3.540 1.00 0.00 C ATOM 735 C GLY A 54 -3.008 -11.447 -4.161 1.00 0.00 C ATOM 736 O GLY A 54 -2.047 -10.899 -4.702 1.00 0.00 O ATOM 0 H GLY A 54 -0.788 -12.699 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.608 -13.492 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.077 -12.759 -2.473 1.00 0.00 H new ATOM 740 N LEU A 55 -4.211 -10.888 -4.087 1.00 0.00 N ATOM 741 CA LEU A 55 -4.478 -9.568 -4.648 1.00 0.00 C ATOM 742 C LEU A 55 -4.133 -8.471 -3.647 1.00 0.00 C ATOM 743 O LEU A 55 -4.864 -8.245 -2.681 1.00 0.00 O ATOM 744 CB LEU A 55 -5.946 -9.455 -5.061 1.00 0.00 C ATOM 745 CG LEU A 55 -6.250 -8.481 -6.200 1.00 0.00 C ATOM 746 CD1 LEU A 55 -7.637 -8.741 -6.769 1.00 0.00 C ATOM 747 CD2 LEU A 55 -6.130 -7.043 -5.718 1.00 0.00 C ATOM 0 H LEU A 55 -5.017 -11.328 -3.644 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.849 -9.441 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.298 -10.445 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.526 -9.155 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.519 -8.639 -6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.836 -8.038 -7.578 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.688 -9.760 -7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.382 -8.611 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.350 -6.364 -6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.838 -6.871 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.117 -6.863 -5.360 1.00 0.00 H new ATOM 759 N LEU A 56 -3.018 -7.789 -3.884 1.00 0.00 N ATOM 760 CA LEU A 56 -2.577 -6.713 -3.004 1.00 0.00 C ATOM 761 C LEU A 56 -3.404 -5.451 -3.230 1.00 0.00 C ATOM 762 O LEU A 56 -3.584 -5.011 -4.365 1.00 0.00 O ATOM 763 CB LEU A 56 -1.095 -6.413 -3.234 1.00 0.00 C ATOM 764 CG LEU A 56 -0.509 -5.260 -2.419 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.098 -5.739 -1.035 1.00 0.00 C ATOM 766 CD2 LEU A 56 0.678 -4.643 -3.146 1.00 0.00 C ATOM 0 H LEU A 56 -2.403 -7.962 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.719 -7.039 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.524 -7.315 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.949 -6.195 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.277 -4.495 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.317 -4.905 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.970 -6.134 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.654 -6.523 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.083 -3.824 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.448 -5.400 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.354 -4.263 -4.115 1.00 0.00 H new ATOM 778 N ALA A 57 -3.902 -4.873 -2.142 1.00 0.00 N ATOM 779 CA ALA A 57 -4.706 -3.659 -2.222 1.00 0.00 C ATOM 780 C ALA A 57 -4.097 -2.541 -1.383 1.00 0.00 C ATOM 781 O ALA A 57 -3.847 -2.713 -0.190 1.00 0.00 O ATOM 782 CB ALA A 57 -6.133 -3.941 -1.775 1.00 0.00 C ATOM 0 H ALA A 57 -3.763 -5.225 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.721 -3.330 -3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.722 -3.026 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.573 -4.702 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.128 -4.297 -0.745 1.00 0.00 H new ATOM 788 N VAL A 58 -3.861 -1.395 -2.014 1.00 0.00 N ATOM 789 CA VAL A 58 -3.282 -0.249 -1.324 1.00 0.00 C ATOM 790 C VAL A 58 -4.361 0.745 -0.908 1.00 0.00 C ATOM 791 O VAL A 58 -5.031 1.337 -1.753 1.00 0.00 O ATOM 792 CB VAL A 58 -2.247 0.474 -2.208 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.694 1.696 -1.492 1.00 0.00 C ATOM 794 CG2 VAL A 58 -1.127 -0.477 -2.601 1.00 0.00 C ATOM 0 H VAL A 58 -4.062 -1.236 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.784 -0.634 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.743 0.811 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.965 2.193 -2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.508 2.385 -1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.212 1.387 -0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.405 0.049 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.631 -0.845 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.542 -1.318 -3.157 1.00 0.00 H new ATOM 804 N GLN A 59 -4.522 0.922 0.399 1.00 0.00 N ATOM 805 CA GLN A 59 -5.520 1.844 0.927 1.00 0.00 C ATOM 806 C GLN A 59 -4.857 2.983 1.695 1.00 0.00 C ATOM 807 O GLN A 59 -4.297 2.775 2.772 1.00 0.00 O ATOM 808 CB GLN A 59 -6.500 1.102 1.838 1.00 0.00 C ATOM 809 CG GLN A 59 -7.494 2.016 2.535 1.00 0.00 C ATOM 810 CD GLN A 59 -8.401 1.269 3.494 1.00 0.00 C ATOM 811 OE1 GLN A 59 -7.953 0.397 4.238 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.685 1.609 3.480 1.00 0.00 N ATOM 0 H GLN A 59 -3.974 0.439 1.111 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.067 2.268 0.085 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.047 0.367 1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.937 0.550 2.591 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.951 2.788 3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.102 2.523 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.013 2.338 2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.343 1.141 4.103 1.00 0.00 H new ATOM 821 N ILE A 60 -4.923 4.185 1.134 1.00 0.00 N ATOM 822 CA ILE A 60 -4.330 5.357 1.767 1.00 0.00 C ATOM 823 C ILE A 60 -5.377 6.436 2.019 1.00 0.00 C ATOM 824 O ILE A 60 -6.039 6.904 1.091 1.00 0.00 O ATOM 825 CB ILE A 60 -3.197 5.948 0.907 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.061 4.934 0.754 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.682 7.240 1.524 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.269 5.102 -0.524 1.00 0.00 C ATOM 0 H ILE A 60 -5.381 4.373 0.242 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.918 5.026 2.720 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.593 6.174 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.386 5.026 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.477 3.927 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.882 7.645 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.495 7.963 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.300 7.038 2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.481 4.350 -0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.931 4.981 -1.381 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.823 6.096 -0.548 1.00 0.00 H new ATOM 840 N THR A 61 -5.523 6.829 3.280 1.00 0.00 N ATOM 841 CA THR A 61 -6.489 7.853 3.655 1.00 0.00 C ATOM 842 C THR A 61 -5.834 8.949 4.487 1.00 0.00 C ATOM 843 O THR A 61 -4.807 8.725 5.129 1.00 0.00 O ATOM 844 CB THR A 61 -7.664 7.253 4.450 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.176 6.294 5.395 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.666 6.590 3.518 1.00 0.00 C ATOM 0 H THR A 61 -4.984 6.453 4.060 1.00 0.00 H new ATOM 0 HA THR A 61 -6.869 8.283 2.728 1.00 0.00 H new ATOM 0 HB THR A 61 -8.166 8.062 4.980 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.929 5.918 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.486 6.174 4.103 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.057 7.329 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.174 5.791 2.964 1.00 0.00 H new ATOM 854 N ASP A 62 -6.433 10.135 4.474 1.00 0.00 N ATOM 855 CA ASP A 62 -5.908 11.266 5.229 1.00 0.00 C ATOM 856 C ASP A 62 -6.875 11.677 6.335 1.00 0.00 C ATOM 857 O ASP A 62 -7.926 11.061 6.513 1.00 0.00 O ATOM 858 CB ASP A 62 -5.645 12.451 4.298 1.00 0.00 C ATOM 859 CG ASP A 62 -4.663 13.444 4.888 1.00 0.00 C ATOM 860 OD1 ASP A 62 -3.792 13.019 5.675 1.00 0.00 O ATOM 861 OD2 ASP A 62 -4.766 14.645 4.563 1.00 0.00 O ATOM 0 H ASP A 62 -7.283 10.338 3.948 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.968 10.959 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.259 12.084 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.586 12.958 4.085 1.00 0.00 H new ATOM 866 N GLN A 63 -6.512 12.720 7.075 1.00 0.00 N ATOM 867 CA GLN A 63 -7.348 13.211 8.164 1.00 0.00 C ATOM 868 C GLN A 63 -8.782 13.431 7.694 1.00 0.00 C ATOM 869 O GLN A 63 -9.714 13.433 8.497 1.00 0.00 O ATOM 870 CB GLN A 63 -6.777 14.514 8.725 1.00 0.00 C ATOM 871 CG GLN A 63 -7.091 15.733 7.872 1.00 0.00 C ATOM 872 CD GLN A 63 -6.057 16.831 8.019 1.00 0.00 C ATOM 873 OE1 GLN A 63 -5.394 17.209 7.053 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.913 17.350 9.233 1.00 0.00 N ATOM 0 H GLN A 63 -5.645 13.241 6.940 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.355 12.457 8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.172 14.672 9.729 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.696 14.416 8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.151 15.434 6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.071 16.123 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.484 17.007 10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.232 18.092 9.393 1.00 0.00 H new ATOM 883 N GLU A 64 -8.950 13.615 6.388 1.00 0.00 N ATOM 884 CA GLU A 64 -10.271 13.837 5.812 1.00 0.00 C ATOM 885 C GLU A 64 -10.973 12.511 5.534 1.00 0.00 C ATOM 886 O GLU A 64 -12.201 12.440 5.505 1.00 0.00 O ATOM 887 CB GLU A 64 -10.158 14.648 4.519 1.00 0.00 C ATOM 888 CG GLU A 64 -11.429 14.644 3.686 1.00 0.00 C ATOM 889 CD GLU A 64 -12.488 15.582 4.233 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.859 15.433 5.415 1.00 0.00 O ATOM 891 OE2 GLU A 64 -12.945 16.464 3.476 1.00 0.00 O ATOM 0 H GLU A 64 -8.188 13.615 5.710 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.865 14.398 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.899 15.677 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.339 14.249 3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.189 14.931 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.831 13.631 3.648 1.00 0.00 H new ATOM 898 N GLY A 65 -10.183 11.461 5.329 1.00 0.00 N ATOM 899 CA GLY A 65 -10.745 10.152 5.055 1.00 0.00 C ATOM 900 C GLY A 65 -10.984 9.921 3.576 1.00 0.00 C ATOM 901 O GLY A 65 -11.666 8.972 3.190 1.00 0.00 O ATOM 0 H GLY A 65 -9.164 11.494 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.071 9.384 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.687 10.045 5.593 1.00 0.00 H new ATOM 905 N LYS A 66 -10.422 10.792 2.745 1.00 0.00 N ATOM 906 CA LYS A 66 -10.576 10.680 1.300 1.00 0.00 C ATOM 907 C LYS A 66 -9.387 9.954 0.680 1.00 0.00 C ATOM 908 O LYS A 66 -8.275 9.970 1.208 1.00 0.00 O ATOM 909 CB LYS A 66 -10.723 12.068 0.673 1.00 0.00 C ATOM 910 CG LYS A 66 -9.405 12.807 0.516 1.00 0.00 C ATOM 911 CD LYS A 66 -9.565 14.061 -0.327 1.00 0.00 C ATOM 912 CE LYS A 66 -10.109 15.220 0.496 1.00 0.00 C ATOM 913 NZ LYS A 66 -9.870 16.531 -0.168 1.00 0.00 N ATOM 0 H LYS A 66 -9.855 11.584 3.048 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.477 10.100 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.192 11.968 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.394 12.666 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.018 13.075 1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.670 12.148 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.602 14.338 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.238 13.857 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.179 15.083 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.639 15.220 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.255 17.295 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.848 16.674 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.340 16.541 -1.096 1.00 0.00 H new ATOM 927 N PRO A 67 -9.623 9.302 -0.468 1.00 0.00 N ATOM 928 CA PRO A 67 -8.582 8.559 -1.186 1.00 0.00 C ATOM 929 C PRO A 67 -7.538 9.480 -1.809 1.00 0.00 C ATOM 930 O PRO A 67 -7.874 10.404 -2.550 1.00 0.00 O ATOM 931 CB PRO A 67 -9.362 7.819 -2.276 1.00 0.00 C ATOM 932 CG PRO A 67 -10.584 8.643 -2.493 1.00 0.00 C ATOM 933 CD PRO A 67 -10.924 9.240 -1.155 1.00 0.00 C ATOM 0 HA PRO A 67 -8.020 7.900 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.776 7.731 -3.191 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.618 6.807 -1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.403 9.422 -3.233 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.405 8.032 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.371 10.229 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.638 8.623 -0.609 1.00 0.00 H new ATOM 941 N LYS A 68 -6.271 9.222 -1.504 1.00 0.00 N ATOM 942 CA LYS A 68 -5.177 10.026 -2.036 1.00 0.00 C ATOM 943 C LYS A 68 -4.548 9.353 -3.251 1.00 0.00 C ATOM 944 O LYS A 68 -4.600 8.131 -3.393 1.00 0.00 O ATOM 945 CB LYS A 68 -4.114 10.253 -0.959 1.00 0.00 C ATOM 946 CG LYS A 68 -4.626 11.020 0.249 1.00 0.00 C ATOM 947 CD LYS A 68 -4.946 12.463 -0.102 1.00 0.00 C ATOM 948 CE LYS A 68 -3.679 13.286 -0.285 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.909 14.729 0.004 1.00 0.00 N ATOM 0 H LYS A 68 -5.976 8.462 -0.891 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.584 10.989 -2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.730 9.287 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.276 10.797 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.520 10.533 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.878 10.995 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.537 12.494 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.557 12.904 0.686 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.899 12.903 0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.317 13.173 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.053 15.139 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.130 15.229 -0.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.705 14.828 0.666 1.00 0.00 H new ATOM 963 N ARG A 69 -3.953 10.158 -4.126 1.00 0.00 N ATOM 964 CA ARG A 69 -3.314 9.639 -5.329 1.00 0.00 C ATOM 965 C ARG A 69 -2.097 8.790 -4.976 1.00 0.00 C ATOM 966 O ARG A 69 -1.155 9.270 -4.345 1.00 0.00 O ATOM 967 CB ARG A 69 -2.897 10.790 -6.247 1.00 0.00 C ATOM 968 CG ARG A 69 -2.692 10.372 -7.694 1.00 0.00 C ATOM 969 CD ARG A 69 -1.916 11.422 -8.473 1.00 0.00 C ATOM 970 NE ARG A 69 -2.699 12.637 -8.682 1.00 0.00 N ATOM 971 CZ ARG A 69 -2.158 13.828 -8.917 1.00 0.00 C ATOM 972 NH1 ARG A 69 -0.840 13.962 -8.974 1.00 0.00 N ATOM 973 NH2 ARG A 69 -2.937 14.887 -9.097 1.00 0.00 N ATOM 0 H ARG A 69 -3.900 11.172 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.035 9.010 -5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.658 11.569 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.973 11.228 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.156 9.423 -7.727 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.660 10.208 -8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.000 11.669 -7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.619 11.012 -9.438 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.716 12.568 -8.646 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.238 13.150 -8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -0.428 14.877 -9.155 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.951 14.787 -9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.522 15.801 -9.277 1.00 0.00 H new ATOM 987 N ALA A 70 -2.124 7.526 -5.386 1.00 0.00 N ATOM 988 CA ALA A 70 -1.022 6.611 -5.114 1.00 0.00 C ATOM 989 C ALA A 70 -0.595 5.875 -6.379 1.00 0.00 C ATOM 990 O ALA A 70 -1.397 5.671 -7.291 1.00 0.00 O ATOM 991 CB ALA A 70 -1.417 5.617 -4.031 1.00 0.00 C ATOM 0 H ALA A 70 -2.897 7.112 -5.908 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.173 7.198 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.585 4.940 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.667 6.155 -3.117 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.283 5.043 -4.362 1.00 0.00 H new ATOM 997 N ILE A 71 0.673 5.480 -6.428 1.00 0.00 N ATOM 998 CA ILE A 71 1.206 4.767 -7.582 1.00 0.00 C ATOM 999 C ILE A 71 1.646 3.357 -7.202 1.00 0.00 C ATOM 1000 O ILE A 71 2.185 3.135 -6.117 1.00 0.00 O ATOM 1001 CB ILE A 71 2.400 5.515 -8.204 1.00 0.00 C ATOM 1002 CG1 ILE A 71 1.997 6.944 -8.575 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.912 4.769 -9.428 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.141 7.930 -8.508 1.00 0.00 C ATOM 0 H ILE A 71 1.350 5.642 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 71 0.402 4.709 -8.316 1.00 0.00 H new ATOM 0 HB ILE A 71 3.203 5.563 -7.469 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.584 6.946 -9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.203 7.275 -7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.756 5.310 -9.857 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.232 3.769 -9.137 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.115 4.694 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.783 8.922 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.539 7.957 -7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.927 7.623 -9.199 1.00 0.00 H new ATOM 1016 N VAL A 72 1.415 2.407 -8.102 1.00 0.00 N ATOM 1017 CA VAL A 72 1.790 1.019 -7.863 1.00 0.00 C ATOM 1018 C VAL A 72 2.922 0.588 -8.789 1.00 0.00 C ATOM 1019 O VAL A 72 2.871 0.817 -9.998 1.00 0.00 O ATOM 1020 CB VAL A 72 0.592 0.071 -8.061 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.137 0.395 -9.356 1.00 0.00 C ATOM 1022 CG2 VAL A 72 1.051 -1.379 -8.046 1.00 0.00 C ATOM 0 H VAL A 72 0.969 2.574 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 72 2.126 0.957 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.104 0.216 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.980 -0.285 -9.479 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.501 1.422 -9.322 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.547 0.280 -10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.191 -2.034 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.768 -1.542 -8.851 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.523 -1.601 -7.089 1.00 0.00 H new ATOM 1032 N HIS A 73 3.944 -0.037 -8.213 1.00 0.00 N ATOM 1033 CA HIS A 73 5.090 -0.502 -8.987 1.00 0.00 C ATOM 1034 C HIS A 73 5.264 -2.011 -8.848 1.00 0.00 C ATOM 1035 O HIS A 73 5.345 -2.536 -7.737 1.00 0.00 O ATOM 1036 CB HIS A 73 6.363 0.215 -8.534 1.00 0.00 C ATOM 1037 CG HIS A 73 6.540 1.568 -9.150 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.054 1.758 -10.416 1.00 0.00 N ATOM 1039 CD2 HIS A 73 6.267 2.803 -8.668 1.00 0.00 C ATOM 1040 CE1 HIS A 73 7.091 3.051 -10.684 1.00 0.00 C ATOM 1041 NE2 HIS A 73 6.618 3.707 -9.640 1.00 0.00 N ATOM 0 H HIS A 73 4.002 -0.233 -7.214 1.00 0.00 H new ATOM 0 HA HIS A 73 4.906 -0.271 -10.036 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.345 0.318 -7.449 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.226 -0.403 -8.781 1.00 0.00 H new ATOM 0 HD2 HIS A 73 5.850 3.034 -7.699 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.448 3.496 -11.601 1.00 0.00 H new ATOM 0 HE2 HIS A 73 6.528 4.720 -9.568 1.00 0.00 H new ATOM 1049 N ASP A 74 5.321 -2.702 -9.981 1.00 0.00 N ATOM 1050 CA ASP A 74 5.486 -4.151 -9.985 1.00 0.00 C ATOM 1051 C ASP A 74 6.922 -4.534 -10.328 1.00 0.00 C ATOM 1052 O ASP A 74 7.425 -4.200 -11.400 1.00 0.00 O ATOM 1053 CB ASP A 74 4.522 -4.793 -10.984 1.00 0.00 C ATOM 1054 CG ASP A 74 4.104 -6.190 -10.570 1.00 0.00 C ATOM 1055 OD1 ASP A 74 4.337 -6.556 -9.399 1.00 0.00 O ATOM 1056 OD2 ASP A 74 3.546 -6.918 -11.417 1.00 0.00 O ATOM 0 H ASP A 74 5.255 -2.282 -10.908 1.00 0.00 H new ATOM 0 HA ASP A 74 5.260 -4.520 -8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.636 -4.166 -11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.995 -4.834 -11.965 1.00 0.00 H new ATOM 1061 N ASN A 75 7.578 -5.235 -9.408 1.00 0.00 N ATOM 1062 CA ASN A 75 8.958 -5.662 -9.613 1.00 0.00 C ATOM 1063 C ASN A 75 9.013 -7.098 -10.124 1.00 0.00 C ATOM 1064 O ASN A 75 10.000 -7.515 -10.731 1.00 0.00 O ATOM 1065 CB ASN A 75 9.749 -5.542 -8.309 1.00 0.00 C ATOM 1066 CG ASN A 75 9.568 -4.191 -7.645 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.806 -3.149 -8.257 1.00 0.00 O ATOM 1068 ND2 ASN A 75 9.146 -4.202 -6.386 1.00 0.00 N ATOM 0 H ASN A 75 7.177 -5.519 -8.514 1.00 0.00 H new ATOM 0 HA ASN A 75 9.406 -5.011 -10.364 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.433 -6.327 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.807 -5.705 -8.513 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.007 -3.323 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.961 -5.089 -5.918 1.00 0.00 H new ATOM 1075 N LYS A 76 7.946 -7.850 -9.876 1.00 0.00 N ATOM 1076 CA LYS A 76 7.870 -9.239 -10.313 1.00 0.00 C ATOM 1077 C LYS A 76 9.103 -10.018 -9.866 1.00 0.00 C ATOM 1078 O LYS A 76 9.481 -11.010 -10.488 1.00 0.00 O ATOM 1079 CB LYS A 76 7.733 -9.310 -11.835 1.00 0.00 C ATOM 1080 CG LYS A 76 6.426 -8.736 -12.356 1.00 0.00 C ATOM 1081 CD LYS A 76 6.547 -7.250 -12.647 1.00 0.00 C ATOM 1082 CE LYS A 76 6.995 -6.997 -14.078 1.00 0.00 C ATOM 1083 NZ LYS A 76 8.472 -7.112 -14.226 1.00 0.00 N ATOM 0 H LYS A 76 7.121 -7.520 -9.374 1.00 0.00 H new ATOM 0 HA LYS A 76 6.990 -9.690 -9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.564 -8.772 -12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.815 -10.350 -12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.132 -9.263 -13.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.637 -8.901 -11.622 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.586 -6.765 -12.474 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.260 -6.800 -11.956 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.507 -7.710 -14.743 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.675 -6.002 -14.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.778 -6.590 -15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.937 -6.713 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.734 -8.114 -14.324 1.00 0.00 H new ATOM 1097 N ASP A 77 9.725 -9.562 -8.784 1.00 0.00 N ATOM 1098 CA ASP A 77 10.915 -10.217 -8.253 1.00 0.00 C ATOM 1099 C ASP A 77 10.701 -10.637 -6.802 1.00 0.00 C ATOM 1100 O ASP A 77 11.658 -10.808 -6.047 1.00 0.00 O ATOM 1101 CB ASP A 77 12.125 -9.288 -8.356 1.00 0.00 C ATOM 1102 CG ASP A 77 12.215 -8.603 -9.705 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.040 -9.290 -10.733 1.00 0.00 O ATOM 1104 OD2 ASP A 77 12.460 -7.378 -9.733 1.00 0.00 O ATOM 0 H ASP A 77 9.425 -8.741 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 77 11.104 -11.111 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.068 -8.533 -7.572 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.036 -9.861 -8.181 1.00 0.00 H new ATOM 1109 N GLY A 78 9.439 -10.799 -6.417 1.00 0.00 N ATOM 1110 CA GLY A 78 9.123 -11.196 -5.057 1.00 0.00 C ATOM 1111 C GLY A 78 8.977 -10.008 -4.126 1.00 0.00 C ATOM 1112 O GLY A 78 9.163 -10.132 -2.915 1.00 0.00 O ATOM 0 H GLY A 78 8.630 -10.662 -7.022 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.197 -11.771 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.907 -11.854 -4.682 1.00 0.00 H new ATOM 1116 N THR A 79 8.645 -8.852 -4.692 1.00 0.00 N ATOM 1117 CA THR A 79 8.477 -7.637 -3.905 1.00 0.00 C ATOM 1118 C THR A 79 7.457 -6.703 -4.546 1.00 0.00 C ATOM 1119 O THR A 79 7.007 -6.936 -5.669 1.00 0.00 O ATOM 1120 CB THR A 79 9.812 -6.885 -3.741 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.455 -6.746 -5.013 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.732 -7.621 -2.779 1.00 0.00 C ATOM 0 H THR A 79 8.487 -8.732 -5.693 1.00 0.00 H new ATOM 0 HA THR A 79 8.118 -7.944 -2.923 1.00 0.00 H new ATOM 0 HB THR A 79 9.600 -5.897 -3.332 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.302 -6.266 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.668 -7.072 -2.679 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.251 -7.699 -1.804 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.937 -8.620 -3.164 1.00 0.00 H new ATOM 1130 N TYR A 80 7.095 -5.646 -3.828 1.00 0.00 N ATOM 1131 CA TYR A 80 6.126 -4.678 -4.326 1.00 0.00 C ATOM 1132 C TYR A 80 6.450 -3.274 -3.824 1.00 0.00 C ATOM 1133 O TYR A 80 6.763 -3.080 -2.649 1.00 0.00 O ATOM 1134 CB TYR A 80 4.712 -5.072 -3.896 1.00 0.00 C ATOM 1135 CG TYR A 80 4.246 -6.387 -4.479 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.790 -6.465 -5.789 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.261 -7.550 -3.720 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.362 -7.665 -6.326 1.00 0.00 C ATOM 1139 CE2 TYR A 80 3.837 -8.754 -4.248 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.389 -8.806 -5.552 1.00 0.00 C ATOM 1141 OH TYR A 80 2.964 -10.003 -6.082 1.00 0.00 O ATOM 0 H TYR A 80 7.459 -5.438 -2.898 1.00 0.00 H new ATOM 0 HA TYR A 80 6.180 -4.676 -5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.676 -5.133 -2.808 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.018 -4.286 -4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.770 -5.573 -6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.610 -7.512 -2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.009 -7.709 -7.346 1.00 0.00 H new ATOM 0 HE2 TYR A 80 3.856 -9.649 -3.644 1.00 0.00 H new ATOM 0 HH TYR A 80 3.048 -10.708 -5.407 1.00 0.00 H new ATOM 1151 N ALA A 81 6.372 -2.298 -4.722 1.00 0.00 N ATOM 1152 CA ALA A 81 6.654 -0.912 -4.371 1.00 0.00 C ATOM 1153 C ALA A 81 5.420 -0.036 -4.557 1.00 0.00 C ATOM 1154 O ALA A 81 4.624 -0.254 -5.471 1.00 0.00 O ATOM 1155 CB ALA A 81 7.811 -0.381 -5.205 1.00 0.00 C ATOM 0 H ALA A 81 6.116 -2.442 -5.699 1.00 0.00 H new ATOM 0 HA ALA A 81 6.934 -0.880 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.011 0.655 -4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.700 -0.983 -5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.552 -0.434 -6.262 1.00 0.00 H new ATOM 1161 N VAL A 82 5.265 0.954 -3.684 1.00 0.00 N ATOM 1162 CA VAL A 82 4.127 1.863 -3.753 1.00 0.00 C ATOM 1163 C VAL A 82 4.538 3.286 -3.392 1.00 0.00 C ATOM 1164 O VAL A 82 5.019 3.545 -2.288 1.00 0.00 O ATOM 1165 CB VAL A 82 2.993 1.414 -2.813 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.830 2.393 -2.873 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.535 0.007 -3.166 1.00 0.00 C ATOM 0 H VAL A 82 5.913 1.147 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 82 3.766 1.842 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 82 3.374 1.402 -1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.038 2.059 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.171 3.382 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.446 2.440 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.733 -0.295 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.171 -0.010 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.372 -0.684 -3.066 1.00 0.00 H new ATOM 1177 N THR A 83 4.345 4.208 -4.331 1.00 0.00 N ATOM 1178 CA THR A 83 4.696 5.606 -4.113 1.00 0.00 C ATOM 1179 C THR A 83 3.474 6.422 -3.707 1.00 0.00 C ATOM 1180 O THR A 83 2.390 6.254 -4.266 1.00 0.00 O ATOM 1181 CB THR A 83 5.322 6.231 -5.373 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.381 5.398 -5.859 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.860 7.623 -5.077 1.00 0.00 C ATOM 0 H THR A 83 3.948 4.011 -5.250 1.00 0.00 H new ATOM 0 HA THR A 83 5.428 5.626 -3.305 1.00 0.00 H new ATOM 0 HB THR A 83 4.546 6.313 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.773 5.802 -6.661 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.297 8.044 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.046 8.263 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.623 7.561 -4.301 1.00 0.00 H new ATOM 1191 N TYR A 84 3.656 7.307 -2.733 1.00 0.00 N ATOM 1192 CA TYR A 84 2.568 8.149 -2.252 1.00 0.00 C ATOM 1193 C TYR A 84 3.077 9.538 -1.880 1.00 0.00 C ATOM 1194 O TYR A 84 4.067 9.676 -1.161 1.00 0.00 O ATOM 1195 CB TYR A 84 1.890 7.501 -1.043 1.00 0.00 C ATOM 1196 CG TYR A 84 2.582 7.796 0.269 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.404 9.015 0.912 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.413 6.856 0.865 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.034 9.289 2.110 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.046 7.121 2.064 1.00 0.00 C ATOM 1201 CZ TYR A 84 3.854 8.339 2.682 1.00 0.00 C ATOM 1202 OH TYR A 84 4.484 8.607 3.876 1.00 0.00 O ATOM 0 H TYR A 84 4.547 7.460 -2.261 1.00 0.00 H new ATOM 0 HA TYR A 84 1.840 8.253 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.858 7.848 -0.986 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.855 6.422 -1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.762 9.761 0.467 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.567 5.902 0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.885 10.242 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.688 6.379 2.515 1.00 0.00 H new ATOM 0 HH TYR A 84 4.440 7.817 4.454 1.00 0.00 H new ATOM 1212 N ILE A 85 2.392 10.564 -2.374 1.00 0.00 N ATOM 1213 CA ILE A 85 2.773 11.942 -2.092 1.00 0.00 C ATOM 1214 C ILE A 85 1.759 12.616 -1.174 1.00 0.00 C ATOM 1215 O ILE A 85 0.673 13.015 -1.594 1.00 0.00 O ATOM 1216 CB ILE A 85 2.903 12.766 -3.387 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.958 12.148 -4.307 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.255 14.210 -3.063 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.750 12.475 -5.769 1.00 0.00 C ATOM 0 H ILE A 85 1.571 10.467 -2.971 1.00 0.00 H new ATOM 0 HA ILE A 85 3.742 11.906 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 85 1.944 12.754 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.944 12.497 -4.002 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.950 11.065 -4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.343 14.779 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.471 14.645 -2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.203 14.242 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.534 12.004 -6.362 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.778 12.101 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.788 13.555 -5.909 1.00 0.00 H new ATOM 1231 N PRO A 86 2.122 12.749 0.111 1.00 0.00 N ATOM 1232 CA PRO A 86 1.259 13.377 1.116 1.00 0.00 C ATOM 1233 C PRO A 86 1.115 14.880 0.899 1.00 0.00 C ATOM 1234 O PRO A 86 1.882 15.671 1.448 1.00 0.00 O ATOM 1235 CB PRO A 86 1.984 13.094 2.433 1.00 0.00 C ATOM 1236 CG PRO A 86 3.413 12.920 2.049 1.00 0.00 C ATOM 1237 CD PRO A 86 3.402 12.296 0.681 1.00 0.00 C ATOM 0 HA PRO A 86 0.242 12.986 1.081 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.861 13.917 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.592 12.199 2.916 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.933 13.878 2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.934 12.283 2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.249 12.628 0.081 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.456 11.209 0.735 1.00 0.00 H new ATOM 1245 N ASP A 87 0.129 15.265 0.097 1.00 0.00 N ATOM 1246 CA ASP A 87 -0.116 16.674 -0.191 1.00 0.00 C ATOM 1247 C ASP A 87 -0.559 17.416 1.066 1.00 0.00 C ATOM 1248 O ASP A 87 -0.152 18.553 1.306 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.176 16.816 -1.284 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.205 18.208 -1.885 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -0.134 18.847 -1.951 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -2.298 18.658 -2.289 1.00 0.00 O ATOM 0 H ASP A 87 -0.514 14.622 -0.365 1.00 0.00 H new ATOM 0 HA ASP A 87 0.817 17.116 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.982 16.087 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.156 16.582 -0.868 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.399 16.766 1.865 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.899 17.363 3.098 1.00 0.00 C ATOM 1259 C LYS A 88 -0.979 17.041 4.271 1.00 0.00 C ATOM 1260 O LYS A 88 -0.096 16.189 4.166 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.314 16.862 3.394 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.402 17.683 2.724 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.716 18.943 3.514 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.358 20.006 2.636 1.00 0.00 C ATOM 1265 NZ LYS A 88 -5.819 21.178 3.430 1.00 0.00 N ATOM 0 H LYS A 88 -1.748 15.825 1.681 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.923 18.445 2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.399 15.826 3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.476 16.871 4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.087 17.953 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.305 17.080 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.385 18.699 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.799 19.337 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.642 20.336 1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.204 19.573 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.250 21.880 2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.521 20.868 4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.008 21.607 3.919 1.00 0.00 H new ATOM 1279 N THR A 89 -1.191 17.727 5.390 1.00 0.00 N ATOM 1280 CA THR A 89 -0.381 17.513 6.583 1.00 0.00 C ATOM 1281 C THR A 89 -1.242 17.069 7.760 1.00 0.00 C ATOM 1282 O THR A 89 -2.331 17.597 7.979 1.00 0.00 O ATOM 1283 CB THR A 89 0.387 18.789 6.976 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.531 19.869 7.181 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.393 19.169 5.900 1.00 0.00 C ATOM 0 H THR A 89 -1.917 18.436 5.495 1.00 0.00 H new ATOM 0 HA THR A 89 0.334 16.726 6.343 1.00 0.00 H new ATOM 0 HB THR A 89 0.927 18.591 7.902 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.035 20.676 7.432 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.923 20.073 6.200 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.108 18.357 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.870 19.350 4.961 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.746 16.094 8.516 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.483 15.595 9.662 1.00 0.00 C ATOM 1295 C GLY A 90 -1.251 14.117 9.902 1.00 0.00 C ATOM 1296 O GLY A 90 -0.110 13.674 10.032 1.00 0.00 O ATOM 0 H GLY A 90 0.153 15.641 8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.190 16.155 10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.548 15.773 9.511 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.336 13.351 9.963 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.245 11.914 10.192 1.00 0.00 C ATOM 1302 C ARG A 91 -2.649 11.138 8.942 1.00 0.00 C ATOM 1303 O ARG A 91 -3.577 11.524 8.232 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.134 11.507 11.369 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.615 11.744 11.123 1.00 0.00 C ATOM 1306 CD ARG A 91 -5.472 10.741 11.879 1.00 0.00 C ATOM 1307 NE ARG A 91 -6.876 10.813 11.484 1.00 0.00 N ATOM 1308 CZ ARG A 91 -7.759 9.851 11.726 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -7.384 8.748 12.360 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -9.019 9.990 11.336 1.00 0.00 N ATOM 0 H ARG A 91 -3.288 13.702 9.857 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.209 11.673 10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.975 10.451 11.586 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.828 12.064 12.255 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.879 12.756 11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.824 11.672 10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.096 9.734 11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.387 10.926 12.950 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.196 11.649 10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.416 8.638 12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.063 8.010 12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.312 10.837 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.695 9.250 11.523 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.946 10.042 8.680 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.229 9.212 7.515 1.00 0.00 C ATOM 1326 C TYR A 92 -2.441 7.757 7.921 1.00 0.00 C ATOM 1327 O TYR A 92 -1.590 7.153 8.573 1.00 0.00 O ATOM 1328 CB TYR A 92 -1.086 9.310 6.503 1.00 0.00 C ATOM 1329 CG TYR A 92 -1.201 10.495 5.572 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.889 10.394 4.369 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.622 11.716 5.894 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.997 11.474 3.514 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.725 12.802 5.046 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.414 12.675 3.857 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.518 13.754 3.009 1.00 0.00 O ATOM 0 H TYR A 92 -1.176 9.707 9.259 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.146 9.578 7.054 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.140 9.372 7.041 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.057 8.395 5.911 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.347 9.455 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -0.082 11.818 6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.535 11.378 2.583 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.269 13.744 5.312 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.053 14.523 3.400 1.00 0.00 H new ATOM 1345 N MET A 93 -3.583 7.201 7.529 1.00 0.00 N ATOM 1346 CA MET A 93 -3.907 5.816 7.850 1.00 0.00 C ATOM 1347 C MET A 93 -3.748 4.922 6.624 1.00 0.00 C ATOM 1348 O MET A 93 -4.381 5.150 5.593 1.00 0.00 O ATOM 1349 CB MET A 93 -5.337 5.715 8.387 1.00 0.00 C ATOM 1350 CG MET A 93 -5.532 4.588 9.388 1.00 0.00 C ATOM 1351 SD MET A 93 -5.239 5.111 11.088 1.00 0.00 S ATOM 1352 CE MET A 93 -3.770 4.167 11.485 1.00 0.00 C ATOM 0 H MET A 93 -4.299 7.688 6.989 1.00 0.00 H new ATOM 0 HA MET A 93 -3.213 5.476 8.619 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.607 6.660 8.859 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.021 5.570 7.551 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.547 4.201 9.301 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.857 3.768 9.143 1.00 0.00 H new ATOM 0 HE1 MET A 93 -3.768 3.927 12.548 1.00 0.00 H new ATOM 0 HE2 MET A 93 -3.763 3.244 10.905 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.884 4.754 11.244 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.900 3.906 6.744 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.660 2.979 5.645 1.00 0.00 C ATOM 1364 C ILE A 94 -3.091 1.564 6.016 1.00 0.00 C ATOM 1365 O ILE A 94 -2.614 0.995 6.997 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.174 2.961 5.239 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.720 4.362 4.823 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -0.946 1.967 4.110 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.780 4.490 4.673 1.00 0.00 C ATOM 0 H ILE A 94 -2.368 3.704 7.591 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.255 3.328 4.801 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.581 2.648 6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.195 4.624 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.066 5.083 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.108 1.965 3.834 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.236 0.969 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.547 2.253 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.030 5.509 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.262 4.260 5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.130 3.794 3.911 1.00 0.00 H new ATOM 1381 N GLY A 95 -3.997 1.000 5.223 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.476 -0.345 5.482 1.00 0.00 C ATOM 1383 C GLY A 95 -4.028 -1.334 4.425 1.00 0.00 C ATOM 1384 O GLY A 95 -4.669 -1.473 3.383 1.00 0.00 O ATOM 0 H GLY A 95 -4.408 1.451 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.117 -0.673 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.565 -0.337 5.529 1.00 0.00 H new ATOM 1388 N VAL A 96 -2.924 -2.024 4.692 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.391 -3.006 3.755 1.00 0.00 C ATOM 1390 C VAL A 96 -3.137 -4.331 3.864 1.00 0.00 C ATOM 1391 O VAL A 96 -2.993 -5.059 4.846 1.00 0.00 O ATOM 1392 CB VAL A 96 -0.889 -3.253 3.996 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.362 -4.312 3.039 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.107 -1.957 3.853 1.00 0.00 C ATOM 0 H VAL A 96 -2.381 -1.921 5.549 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.529 -2.597 2.754 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.757 -3.620 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.700 -4.473 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.903 -5.245 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.505 -3.977 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.952 -2.150 4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.243 -1.559 2.848 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.468 -1.232 4.582 1.00 0.00 H new ATOM 1404 N THR A 97 -3.935 -4.640 2.846 1.00 0.00 N ATOM 1405 CA THR A 97 -4.704 -5.877 2.827 1.00 0.00 C ATOM 1406 C THR A 97 -4.128 -6.867 1.821 1.00 0.00 C ATOM 1407 O THR A 97 -3.671 -6.480 0.746 1.00 0.00 O ATOM 1408 CB THR A 97 -6.182 -5.614 2.481 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.275 -4.881 1.254 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.869 -4.838 3.595 1.00 0.00 C ATOM 0 H THR A 97 -4.065 -4.050 2.024 1.00 0.00 H new ATOM 0 HA THR A 97 -4.642 -6.303 3.829 1.00 0.00 H new ATOM 0 HB THR A 97 -6.683 -6.576 2.368 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.218 -4.719 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.911 -4.664 3.328 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.822 -5.412 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.366 -3.881 3.736 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.153 -8.147 2.178 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.630 -9.193 1.307 1.00 0.00 C ATOM 1420 C TYR A 98 -4.618 -10.351 1.194 1.00 0.00 C ATOM 1421 O TYR A 98 -4.952 -10.996 2.186 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.288 -9.703 1.835 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.354 -10.186 0.749 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.568 -9.292 0.033 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.257 -11.537 0.440 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.286 -9.729 -0.961 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.404 -11.984 -0.551 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.365 -11.076 -1.249 1.00 0.00 C ATOM 1429 OH TYR A 98 1.216 -11.516 -2.237 1.00 0.00 O ATOM 0 H TYR A 98 -4.530 -8.485 3.064 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.483 -8.765 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.800 -8.904 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.469 -10.518 2.536 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.626 -8.237 0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.859 -12.250 0.984 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.888 -9.020 -1.510 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.340 -13.038 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 98 1.153 -12.491 -2.313 1.00 0.00 H new ATOM 1439 N GLY A 99 -5.080 -10.608 -0.026 1.00 0.00 N ATOM 1440 CA GLY A 99 -6.024 -11.687 -0.249 1.00 0.00 C ATOM 1441 C GLY A 99 -7.270 -11.553 0.603 1.00 0.00 C ATOM 1442 O GLY A 99 -7.703 -12.514 1.239 1.00 0.00 O ATOM 0 H GLY A 99 -4.817 -10.088 -0.863 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.308 -11.706 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.540 -12.639 -0.032 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.849 -10.356 0.619 1.00 0.00 N ATOM 1447 CA GLY A 100 -9.046 -10.121 1.405 1.00 0.00 C ATOM 1448 C GLY A 100 -8.824 -10.357 2.885 1.00 0.00 C ATOM 1449 O GLY A 100 -9.712 -10.846 3.583 1.00 0.00 O ATOM 0 H GLY A 100 -7.510 -9.545 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.383 -9.096 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.843 -10.775 1.052 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.634 -10.012 3.366 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.297 -10.189 4.773 1.00 0.00 C ATOM 1455 C ASP A 101 -6.249 -9.172 5.214 1.00 0.00 C ATOM 1456 O ASP A 101 -5.127 -9.162 4.707 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.783 -11.609 5.021 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.907 -12.597 5.262 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.972 -12.176 5.759 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -7.721 -13.793 4.952 1.00 0.00 O ATOM 0 H ASP A 101 -6.887 -9.608 2.801 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.201 -10.029 5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.195 -11.934 4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.115 -11.605 5.882 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.624 -8.316 6.158 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.717 -7.294 6.667 1.00 0.00 C ATOM 1467 C ASP A 102 -4.711 -7.896 7.643 1.00 0.00 C ATOM 1468 O ASP A 102 -5.066 -8.725 8.482 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.506 -6.178 7.354 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.753 -5.791 6.582 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -8.475 -6.702 6.128 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.005 -4.577 6.432 1.00 0.00 O ATOM 0 H ASP A 102 -7.550 -8.309 6.586 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.170 -6.876 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.788 -6.500 8.356 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.867 -5.303 7.469 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.456 -7.476 7.526 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.400 -7.974 8.397 1.00 0.00 C ATOM 1479 C ILE A 103 -2.563 -7.445 9.818 1.00 0.00 C ATOM 1480 O ILE A 103 -3.152 -6.388 10.049 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.006 -7.583 7.873 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -0.973 -6.098 7.507 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.633 -8.438 6.671 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.419 -5.573 7.233 1.00 0.00 C ATOM 0 H ILE A 103 -3.146 -6.792 6.836 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.485 -9.061 8.404 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.275 -7.760 8.662 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.594 -5.936 6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.416 -5.522 8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.355 -8.150 6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.621 -9.489 6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.365 -8.289 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.365 -4.514 6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.038 -5.703 8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.858 -6.123 6.401 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.029 -8.194 10.794 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.100 -7.818 12.209 1.00 0.00 C ATOM 1498 C PRO A 104 -1.234 -6.606 12.532 1.00 0.00 C ATOM 1499 O PRO A 104 -1.140 -6.186 13.686 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.573 -9.060 12.932 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.696 -9.736 11.935 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.313 -9.465 10.591 1.00 0.00 C ATOM 0 HA PRO A 104 -3.109 -7.531 12.504 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -1.017 -8.789 13.829 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.389 -9.711 13.247 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.321 -9.348 11.983 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.638 -10.807 12.129 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.556 -9.380 9.811 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.991 -10.264 10.291 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.603 -6.045 11.505 1.00 0.00 N ATOM 1511 CA LEU A 105 0.256 -4.879 11.680 1.00 0.00 C ATOM 1512 C LEU A 105 -0.457 -3.607 11.233 1.00 0.00 C ATOM 1513 O LEU A 105 -0.140 -2.511 11.695 1.00 0.00 O ATOM 1514 CB LEU A 105 1.554 -5.055 10.890 1.00 0.00 C ATOM 1515 CG LEU A 105 2.704 -5.736 11.632 1.00 0.00 C ATOM 1516 CD1 LEU A 105 3.091 -4.936 12.866 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.324 -7.159 12.014 1.00 0.00 C ATOM 0 H LEU A 105 -0.670 -6.379 10.544 1.00 0.00 H new ATOM 0 HA LEU A 105 0.493 -4.787 12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.334 -5.633 9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.892 -4.072 10.561 1.00 0.00 H new ATOM 0 HG LEU A 105 3.566 -5.778 10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.911 -5.436 13.381 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.406 -3.936 12.567 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.234 -4.862 13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.155 -7.628 12.541 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.447 -7.140 12.661 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.097 -7.729 11.113 1.00 0.00 H new ATOM 1529 N SER A 106 -1.422 -3.760 10.332 1.00 0.00 N ATOM 1530 CA SER A 106 -2.179 -2.623 9.821 1.00 0.00 C ATOM 1531 C SER A 106 -3.418 -2.368 10.674 1.00 0.00 C ATOM 1532 O SER A 106 -3.881 -3.235 11.416 1.00 0.00 O ATOM 1533 CB SER A 106 -2.588 -2.867 8.367 1.00 0.00 C ATOM 1534 OG SER A 106 -1.616 -2.355 7.472 1.00 0.00 O ATOM 0 H SER A 106 -1.698 -4.660 9.941 1.00 0.00 H new ATOM 0 HA SER A 106 -1.539 -1.742 9.868 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.717 -3.936 8.196 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.551 -2.395 8.172 1.00 0.00 H new ATOM 0 HG SER A 106 -0.727 -2.428 7.878 1.00 0.00 H new ATOM 1540 N PRO A 107 -3.970 -1.151 10.566 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.428 -0.111 9.686 1.00 0.00 C ATOM 1542 C PRO A 107 -2.092 0.430 10.183 1.00 0.00 C ATOM 1543 O PRO A 107 -1.575 -0.012 11.209 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.497 0.983 9.728 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.189 0.786 11.032 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.165 -0.694 11.295 1.00 0.00 C ATOM 0 HA PRO A 107 -3.226 -0.490 8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.051 1.975 9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.192 0.890 8.893 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.683 1.332 11.828 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.213 1.158 10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.093 -0.912 12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.069 -1.182 10.930 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.538 1.389 9.449 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.260 1.990 9.815 1.00 0.00 C ATOM 1556 C TYR A 108 -0.422 3.478 10.109 1.00 0.00 C ATOM 1557 O TYR A 108 -1.051 4.209 9.343 1.00 0.00 O ATOM 1558 CB TYR A 108 0.761 1.788 8.695 1.00 0.00 C ATOM 1559 CG TYR A 108 1.533 0.492 8.806 1.00 0.00 C ATOM 1560 CD1 TYR A 108 0.914 -0.730 8.572 1.00 0.00 C ATOM 1561 CD2 TYR A 108 2.881 0.490 9.143 1.00 0.00 C ATOM 1562 CE1 TYR A 108 1.615 -1.916 8.673 1.00 0.00 C ATOM 1563 CE2 TYR A 108 3.590 -0.691 9.245 1.00 0.00 C ATOM 1564 CZ TYR A 108 2.952 -1.892 9.009 1.00 0.00 C ATOM 1565 OH TYR A 108 3.654 -3.071 9.109 1.00 0.00 O ATOM 0 H TYR A 108 -1.953 1.767 8.597 1.00 0.00 H new ATOM 0 HA TYR A 108 0.099 1.497 10.718 1.00 0.00 H new ATOM 0 HB2 TYR A 108 0.245 1.813 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.464 2.621 8.701 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.133 -0.753 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 108 3.383 1.428 9.328 1.00 0.00 H new ATOM 0 HE1 TYR A 108 1.118 -2.857 8.490 1.00 0.00 H new ATOM 0 HE2 TYR A 108 4.637 -0.675 9.508 1.00 0.00 H new ATOM 0 HH TYR A 108 4.584 -2.879 9.353 1.00 0.00 H new ATOM 1575 N ARG A 109 0.150 3.921 11.224 1.00 0.00 N ATOM 1576 CA ARG A 109 0.070 5.321 11.620 1.00 0.00 C ATOM 1577 C ARG A 109 1.315 6.084 11.176 1.00 0.00 C ATOM 1578 O ARG A 109 2.439 5.687 11.481 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.098 5.435 13.136 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.397 4.838 13.652 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.295 4.471 15.124 1.00 0.00 C ATOM 1582 NE ARG A 109 -1.425 5.640 15.990 1.00 0.00 N ATOM 1583 CZ ARG A 109 -1.787 5.572 17.267 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -2.052 4.398 17.823 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -1.882 6.680 17.990 1.00 0.00 N ATOM 0 H ARG A 109 0.674 3.330 11.869 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.799 5.762 11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.740 4.937 13.624 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.053 6.486 13.420 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.209 5.551 13.509 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.647 3.950 13.071 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.072 3.748 15.372 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -0.337 3.986 15.311 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.227 6.559 15.593 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.978 3.544 17.270 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -2.330 4.349 18.803 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -1.677 7.585 17.566 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -2.160 6.627 18.970 1.00 0.00 H new ATOM 1599 N ILE A 110 1.104 7.180 10.455 1.00 0.00 N ATOM 1600 CA ILE A 110 2.209 7.998 9.970 1.00 0.00 C ATOM 1601 C ILE A 110 1.880 9.484 10.073 1.00 0.00 C ATOM 1602 O ILE A 110 0.719 9.881 9.975 1.00 0.00 O ATOM 1603 CB ILE A 110 2.559 7.662 8.508 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.734 6.152 8.337 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.821 8.398 8.083 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.945 5.727 6.901 1.00 0.00 C ATOM 0 H ILE A 110 0.179 7.522 10.194 1.00 0.00 H new ATOM 0 HA ILE A 110 3.068 7.774 10.602 1.00 0.00 H new ATOM 0 HB ILE A 110 1.738 7.989 7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.585 5.823 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.853 5.645 8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.055 8.150 7.048 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.663 9.473 8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.650 8.099 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.062 4.644 6.855 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.084 6.025 6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.842 6.205 6.508 1.00 0.00 H new ATOM 1618 N ARG A 111 2.910 10.300 10.270 1.00 0.00 N ATOM 1619 CA ARG A 111 2.730 11.742 10.386 1.00 0.00 C ATOM 1620 C ARG A 111 3.709 12.486 9.482 1.00 0.00 C ATOM 1621 O ARG A 111 4.917 12.259 9.538 1.00 0.00 O ATOM 1622 CB ARG A 111 2.921 12.186 11.837 1.00 0.00 C ATOM 1623 CG ARG A 111 1.858 11.651 12.783 1.00 0.00 C ATOM 1624 CD ARG A 111 2.253 11.854 14.237 1.00 0.00 C ATOM 1625 NE ARG A 111 1.933 13.198 14.709 1.00 0.00 N ATOM 1626 CZ ARG A 111 2.006 13.567 15.983 1.00 0.00 C ATOM 1627 NH1 ARG A 111 2.387 12.696 16.908 1.00 0.00 N ATOM 1628 NH2 ARG A 111 1.698 14.808 16.335 1.00 0.00 N ATOM 0 H ARG A 111 3.877 9.987 10.353 1.00 0.00 H new ATOM 0 HA ARG A 111 1.715 11.983 10.070 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.901 11.858 12.182 1.00 0.00 H new ATOM 0 HB3 ARG A 111 2.917 13.275 11.878 1.00 0.00 H new ATOM 0 HG2 ARG A 111 0.910 12.153 12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 111 1.701 10.589 12.592 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.739 11.120 14.858 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.322 11.675 14.350 1.00 0.00 H new ATOM 0 HE ARG A 111 1.637 13.892 14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.625 11.741 16.642 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.442 12.982 17.886 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.404 15.481 15.627 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.755 15.089 17.314 1.00 0.00 H new ATOM 1642 N ALA A 112 3.178 13.376 8.649 1.00 0.00 N ATOM 1643 CA ALA A 112 4.004 14.154 7.735 1.00 0.00 C ATOM 1644 C ALA A 112 4.631 15.350 8.444 1.00 0.00 C ATOM 1645 O ALA A 112 3.933 16.278 8.853 1.00 0.00 O ATOM 1646 CB ALA A 112 3.180 14.617 6.543 1.00 0.00 C ATOM 0 H ALA A 112 2.180 13.576 8.589 1.00 0.00 H new ATOM 0 HA ALA A 112 4.810 13.513 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.810 15.197 5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.785 13.749 6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.354 15.237 6.891 1.00 0.00 H new ATOM 1652 N THR A 113 5.952 15.322 8.587 1.00 0.00 N ATOM 1653 CA THR A 113 6.673 16.403 9.248 1.00 0.00 C ATOM 1654 C THR A 113 6.931 17.559 8.289 1.00 0.00 C ATOM 1655 O THR A 113 7.845 17.502 7.467 1.00 0.00 O ATOM 1656 CB THR A 113 8.017 15.914 9.819 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.831 15.380 8.768 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.798 14.854 10.887 1.00 0.00 C ATOM 0 H THR A 113 6.545 14.562 8.254 1.00 0.00 H new ATOM 0 HA THR A 113 6.043 16.749 10.067 1.00 0.00 H new ATOM 0 HB THR A 113 8.524 16.765 10.274 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.713 15.918 7.957 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.762 14.524 11.275 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.204 15.273 11.699 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.271 14.004 10.453 1.00 0.00 H new ATOM 1666 N GLN A 114 6.120 18.606 8.400 1.00 0.00 N ATOM 1667 CA GLN A 114 6.262 19.776 7.542 1.00 0.00 C ATOM 1668 C GLN A 114 7.335 20.718 8.078 1.00 0.00 C ATOM 1669 O GLN A 114 7.306 21.111 9.245 1.00 0.00 O ATOM 1670 CB GLN A 114 4.928 20.516 7.428 1.00 0.00 C ATOM 1671 CG GLN A 114 4.992 21.752 6.545 1.00 0.00 C ATOM 1672 CD GLN A 114 4.812 21.430 5.075 1.00 0.00 C ATOM 1673 OE1 GLN A 114 3.919 20.670 4.699 1.00 0.00 O ATOM 1674 NE2 GLN A 114 5.662 22.007 4.234 1.00 0.00 N ATOM 0 H GLN A 114 5.358 18.668 9.075 1.00 0.00 H new ATOM 0 HA GLN A 114 6.566 19.434 6.553 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.176 19.834 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.598 20.808 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.220 22.456 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 114 5.952 22.247 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 114 6.387 22.630 4.589 1.00 0.00 H new ATOM 0 HE22 GLN A 114 5.590 21.827 3.233 1.00 0.00 H new ATOM 1683 N THR A 115 8.284 21.077 7.218 1.00 0.00 N ATOM 1684 CA THR A 115 9.368 21.971 7.605 1.00 0.00 C ATOM 1685 C THR A 115 8.971 23.431 7.414 1.00 0.00 C ATOM 1686 O THR A 115 9.104 24.245 8.327 1.00 0.00 O ATOM 1687 CB THR A 115 10.646 21.688 6.795 1.00 0.00 C ATOM 1688 OG1 THR A 115 10.956 20.291 6.841 1.00 0.00 O ATOM 1689 CG2 THR A 115 11.819 22.491 7.336 1.00 0.00 C ATOM 0 H THR A 115 8.323 20.762 6.249 1.00 0.00 H new ATOM 0 HA THR A 115 9.568 21.787 8.661 1.00 0.00 H new ATOM 0 HB THR A 115 10.468 21.986 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 115 11.769 20.119 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.711 22.274 6.748 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.592 23.555 7.272 1.00 0.00 H new ATOM 0 HG23 THR A 115 11.996 22.220 8.377 1.00 0.00 H new ATOM 1697 N GLY A 116 8.483 23.755 6.220 1.00 0.00 N ATOM 1698 CA GLY A 116 8.074 25.117 5.932 1.00 0.00 C ATOM 1699 C GLY A 116 7.945 25.381 4.444 1.00 0.00 C ATOM 1700 O GLY A 116 7.285 24.628 3.729 1.00 0.00 O ATOM 0 H GLY A 116 8.364 23.099 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.119 25.317 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.800 25.809 6.359 1.00 0.00 H new ATOM 1704 N ASP A 117 8.575 26.454 3.979 1.00 0.00 N ATOM 1705 CA ASP A 117 8.528 26.815 2.567 1.00 0.00 C ATOM 1706 C ASP A 117 8.997 25.657 1.693 1.00 0.00 C ATOM 1707 O ASP A 117 9.795 24.825 2.123 1.00 0.00 O ATOM 1708 CB ASP A 117 9.391 28.050 2.305 1.00 0.00 C ATOM 1709 CG ASP A 117 9.091 28.694 0.966 1.00 0.00 C ATOM 1710 OD1 ASP A 117 7.953 29.175 0.782 1.00 0.00 O ATOM 1711 OD2 ASP A 117 9.992 28.717 0.102 1.00 0.00 O ATOM 0 H ASP A 117 9.124 27.089 4.559 1.00 0.00 H new ATOM 0 HA ASP A 117 7.493 27.043 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.228 28.778 3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.443 27.768 2.342 1.00 0.00 H new ATOM 1716 N ALA A 118 8.495 25.608 0.463 1.00 0.00 N ATOM 1717 CA ALA A 118 8.863 24.552 -0.472 1.00 0.00 C ATOM 1718 C ALA A 118 9.724 25.099 -1.605 1.00 0.00 C ATOM 1719 O ALA A 118 9.215 25.711 -2.545 1.00 0.00 O ATOM 1720 CB ALA A 118 7.616 23.882 -1.029 1.00 0.00 C ATOM 0 H ALA A 118 7.832 26.288 0.091 1.00 0.00 H new ATOM 0 HA ALA A 118 9.449 23.809 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 118 7.906 23.096 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.040 23.448 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.007 24.621 -1.549 1.00 0.00 H new ATOM 1726 N SER A 119 11.031 24.874 -1.511 1.00 0.00 N ATOM 1727 CA SER A 119 11.963 25.348 -2.527 1.00 0.00 C ATOM 1728 C SER A 119 12.839 24.207 -3.035 1.00 0.00 C ATOM 1729 O SER A 119 13.421 24.292 -4.115 1.00 0.00 O ATOM 1730 CB SER A 119 12.840 26.467 -1.962 1.00 0.00 C ATOM 1731 OG SER A 119 13.668 25.988 -0.917 1.00 0.00 O ATOM 0 H SER A 119 11.468 24.367 -0.742 1.00 0.00 H new ATOM 0 HA SER A 119 11.383 25.738 -3.364 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.458 26.886 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 119 12.210 27.274 -1.590 1.00 0.00 H new ATOM 0 HG SER A 119 14.220 26.722 -0.574 1.00 0.00 H new TER 1737 SER A 119