USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 671 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 16 GLN : amide:sc= -2.69 K(o=-6.1,f=-9.7!) USER MOD Set 1.2: A 60 CYS SG : rot 180:sc= -3.42 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0532 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.015) USER MOD Single : A 25 ASN : amide:sc= 0.687 K(o=0.69,f=-0.56) USER MOD Single : A 26 SER OG : rot 20:sc= -0.537 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -110:sc= -2.58! USER MOD Single : A 32 MET CE :methyl 152:sc= 0 (180deg=-0.789) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.541 K(o=0.54,f=-0.13) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.97! C(o=-3!,f=-3.9!) USER MOD Single : A 59 LYS NZ :NH3+ -145:sc= -3.69! (180deg=-6.23!) USER MOD Single : A 65 SER OG : rot 156:sc= 1.02 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc=-0.00491 X(o=-0.0049,f=-0.1) USER MOD Single : A 77 THR OG1 : rot 78:sc= 0.0241 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.00095) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.293 -26.264 4.013 1.00 0.00 N ATOM 2 CA GLY A 1 -19.812 -25.630 2.815 1.00 0.00 C ATOM 3 C GLY A 1 -20.896 -24.616 3.119 1.00 0.00 C ATOM 4 O GLY A 1 -21.514 -24.658 4.183 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.294 -26.004 4.138 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.840 -25.946 4.839 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.373 -27.297 3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.996 -25.137 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.210 -26.394 2.147 1.00 0.00 H new ATOM 8 N SER A 2 -21.127 -23.700 2.184 1.00 0.00 N ATOM 9 CA SER A 2 -22.140 -22.666 2.359 1.00 0.00 C ATOM 10 C SER A 2 -23.359 -22.946 1.485 1.00 0.00 C ATOM 11 O SER A 2 -23.316 -23.794 0.594 1.00 0.00 O ATOM 12 CB SER A 2 -21.561 -21.292 2.021 1.00 0.00 C ATOM 13 OG SER A 2 -20.759 -20.801 3.081 1.00 0.00 O ATOM 0 H SER A 2 -20.626 -23.653 1.297 1.00 0.00 H new ATOM 0 HA SER A 2 -22.454 -22.673 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.965 -21.359 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.372 -20.592 1.820 1.00 0.00 H new ATOM 0 HG SER A 2 -20.399 -19.922 2.839 1.00 0.00 H new ATOM 19 N SER A 3 -24.445 -22.226 1.747 1.00 0.00 N ATOM 20 CA SER A 3 -25.678 -22.399 0.988 1.00 0.00 C ATOM 21 C SER A 3 -25.378 -22.653 -0.486 1.00 0.00 C ATOM 22 O SER A 3 -25.830 -23.641 -1.062 1.00 0.00 O ATOM 23 CB SER A 3 -26.569 -21.163 1.133 1.00 0.00 C ATOM 24 OG SER A 3 -27.864 -21.404 0.610 1.00 0.00 O ATOM 0 H SER A 3 -24.496 -21.517 2.479 1.00 0.00 H new ATOM 0 HA SER A 3 -26.203 -23.266 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.644 -20.886 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.114 -20.320 0.613 1.00 0.00 H new ATOM 0 HG SER A 3 -28.414 -20.600 0.716 1.00 0.00 H new ATOM 30 N GLY A 4 -24.609 -21.752 -1.091 1.00 0.00 N ATOM 31 CA GLY A 4 -24.261 -21.895 -2.492 1.00 0.00 C ATOM 32 C GLY A 4 -23.542 -20.677 -3.038 1.00 0.00 C ATOM 33 O GLY A 4 -23.753 -19.560 -2.566 1.00 0.00 O ATOM 0 H GLY A 4 -24.221 -20.926 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.628 -22.774 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.167 -22.069 -3.072 1.00 0.00 H new ATOM 37 N SER A 5 -22.689 -20.892 -4.035 1.00 0.00 N ATOM 38 CA SER A 5 -21.933 -19.803 -4.642 1.00 0.00 C ATOM 39 C SER A 5 -22.865 -18.695 -5.122 1.00 0.00 C ATOM 40 O SER A 5 -22.684 -17.526 -4.783 1.00 0.00 O ATOM 41 CB SER A 5 -21.097 -20.325 -5.812 1.00 0.00 C ATOM 42 OG SER A 5 -20.208 -21.345 -5.389 1.00 0.00 O ATOM 0 H SER A 5 -22.504 -21.810 -4.439 1.00 0.00 H new ATOM 0 HA SER A 5 -21.267 -19.390 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.756 -20.712 -6.590 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.531 -19.505 -6.253 1.00 0.00 H new ATOM 0 HG SER A 5 -19.687 -21.663 -6.155 1.00 0.00 H new ATOM 48 N SER A 6 -23.864 -19.073 -5.914 1.00 0.00 N ATOM 49 CA SER A 6 -24.823 -18.112 -6.446 1.00 0.00 C ATOM 50 C SER A 6 -24.126 -17.076 -7.321 1.00 0.00 C ATOM 51 O SER A 6 -24.412 -15.882 -7.237 1.00 0.00 O ATOM 52 CB SER A 6 -25.565 -17.416 -5.303 1.00 0.00 C ATOM 53 OG SER A 6 -26.394 -18.327 -4.603 1.00 0.00 O ATOM 0 H SER A 6 -24.030 -20.038 -6.201 1.00 0.00 H new ATOM 0 HA SER A 6 -25.542 -18.654 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 -24.845 -16.972 -4.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.170 -16.601 -5.701 1.00 0.00 H new ATOM 0 HG SER A 6 -26.856 -17.858 -3.877 1.00 0.00 H new ATOM 59 N GLY A 7 -23.209 -17.542 -8.163 1.00 0.00 N ATOM 60 CA GLY A 7 -22.484 -16.643 -9.043 1.00 0.00 C ATOM 61 C GLY A 7 -21.832 -15.498 -8.293 1.00 0.00 C ATOM 62 O GLY A 7 -21.803 -15.490 -7.062 1.00 0.00 O ATOM 0 H GLY A 7 -22.955 -18.526 -8.252 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.719 -17.204 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.168 -16.241 -9.790 1.00 0.00 H new ATOM 66 N SER A 8 -21.307 -14.529 -9.036 1.00 0.00 N ATOM 67 CA SER A 8 -20.647 -13.377 -8.433 1.00 0.00 C ATOM 68 C SER A 8 -21.581 -12.664 -7.459 1.00 0.00 C ATOM 69 O SER A 8 -22.792 -12.607 -7.673 1.00 0.00 O ATOM 70 CB SER A 8 -20.184 -12.403 -9.518 1.00 0.00 C ATOM 71 OG SER A 8 -21.282 -11.709 -10.084 1.00 0.00 O ATOM 0 H SER A 8 -21.326 -14.519 -10.056 1.00 0.00 H new ATOM 0 HA SER A 8 -19.778 -13.735 -7.880 1.00 0.00 H new ATOM 0 HB2 SER A 8 -19.479 -11.689 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.654 -12.949 -10.298 1.00 0.00 H new ATOM 0 HG SER A 8 -20.959 -11.092 -10.773 1.00 0.00 H new ATOM 77 N SER A 9 -21.008 -12.123 -6.389 1.00 0.00 N ATOM 78 CA SER A 9 -21.788 -11.417 -5.380 1.00 0.00 C ATOM 79 C SER A 9 -22.256 -10.062 -5.903 1.00 0.00 C ATOM 80 O SER A 9 -21.585 -9.436 -6.724 1.00 0.00 O ATOM 81 CB SER A 9 -20.960 -11.226 -4.107 1.00 0.00 C ATOM 82 OG SER A 9 -21.789 -10.905 -3.003 1.00 0.00 O ATOM 0 H SER A 9 -20.007 -12.160 -6.199 1.00 0.00 H new ATOM 0 HA SER A 9 -22.666 -12.020 -5.148 1.00 0.00 H new ATOM 0 HB2 SER A 9 -20.401 -12.137 -3.893 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.229 -10.432 -4.260 1.00 0.00 H new ATOM 0 HG SER A 9 -21.237 -10.790 -2.202 1.00 0.00 H new ATOM 88 N ALA A 10 -23.412 -9.617 -5.423 1.00 0.00 N ATOM 89 CA ALA A 10 -23.970 -8.336 -5.840 1.00 0.00 C ATOM 90 C ALA A 10 -23.310 -7.181 -5.095 1.00 0.00 C ATOM 91 O ALA A 10 -22.840 -6.223 -5.708 1.00 0.00 O ATOM 92 CB ALA A 10 -25.475 -8.319 -5.619 1.00 0.00 C ATOM 0 H ALA A 10 -23.981 -10.124 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 10 -23.769 -8.209 -6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -25.878 -7.357 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -25.937 -9.115 -6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.689 -8.473 -4.561 1.00 0.00 H new ATOM 98 N SER A 11 -23.280 -7.278 -3.770 1.00 0.00 N ATOM 99 CA SER A 11 -22.682 -6.238 -2.941 1.00 0.00 C ATOM 100 C SER A 11 -21.401 -5.706 -3.577 1.00 0.00 C ATOM 101 O SER A 11 -21.275 -4.510 -3.839 1.00 0.00 O ATOM 102 CB SER A 11 -22.383 -6.781 -1.542 1.00 0.00 C ATOM 103 OG SER A 11 -23.577 -6.976 -0.805 1.00 0.00 O ATOM 0 H SER A 11 -23.663 -8.066 -3.247 1.00 0.00 H new ATOM 0 HA SER A 11 -23.395 -5.417 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 11 -21.843 -7.725 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.733 -6.086 -1.010 1.00 0.00 H new ATOM 0 HG SER A 11 -23.359 -7.325 0.084 1.00 0.00 H new ATOM 109 N PHE A 12 -20.453 -6.604 -3.822 1.00 0.00 N ATOM 110 CA PHE A 12 -19.180 -6.227 -4.427 1.00 0.00 C ATOM 111 C PHE A 12 -18.984 -6.930 -5.766 1.00 0.00 C ATOM 112 O PHE A 12 -19.792 -7.771 -6.164 1.00 0.00 O ATOM 113 CB PHE A 12 -18.023 -6.568 -3.485 1.00 0.00 C ATOM 114 CG PHE A 12 -18.044 -7.989 -3.000 1.00 0.00 C ATOM 115 CD1 PHE A 12 -17.785 -9.036 -3.870 1.00 0.00 C ATOM 116 CD2 PHE A 12 -18.322 -8.278 -1.674 1.00 0.00 C ATOM 117 CE1 PHE A 12 -17.804 -10.344 -3.426 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.343 -9.585 -1.224 1.00 0.00 C ATOM 119 CZ PHE A 12 -18.082 -10.620 -2.101 1.00 0.00 C ATOM 0 H PHE A 12 -20.542 -7.598 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 12 -19.194 -5.151 -4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.080 -6.382 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.055 -5.899 -2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.566 -8.827 -4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.525 -7.473 -0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -17.602 -11.151 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.563 -9.797 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 12 -18.095 -11.642 -1.752 1.00 0.00 H new ATOM 129 N THR A 13 -17.906 -6.580 -6.460 1.00 0.00 N ATOM 130 CA THR A 13 -17.603 -7.175 -7.756 1.00 0.00 C ATOM 131 C THR A 13 -16.601 -8.315 -7.616 1.00 0.00 C ATOM 132 O THR A 13 -16.049 -8.543 -6.540 1.00 0.00 O ATOM 133 CB THR A 13 -17.041 -6.129 -8.737 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.850 -5.543 -8.199 1.00 0.00 O ATOM 135 CG2 THR A 13 -18.067 -5.041 -9.015 1.00 0.00 C ATOM 0 H THR A 13 -17.227 -5.887 -6.146 1.00 0.00 H new ATOM 0 HA THR A 13 -18.540 -7.566 -8.152 1.00 0.00 H new ATOM 0 HB THR A 13 -16.806 -6.632 -9.675 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.498 -4.880 -8.829 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.647 -4.314 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.961 -5.487 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 13 -18.329 -4.542 -8.082 1.00 0.00 H new ATOM 143 N LYS A 14 -16.370 -9.030 -8.712 1.00 0.00 N ATOM 144 CA LYS A 14 -15.432 -10.147 -8.714 1.00 0.00 C ATOM 145 C LYS A 14 -14.011 -9.664 -8.438 1.00 0.00 C ATOM 146 O LYS A 14 -13.265 -10.299 -7.694 1.00 0.00 O ATOM 147 CB LYS A 14 -15.482 -10.879 -10.057 1.00 0.00 C ATOM 148 CG LYS A 14 -16.598 -11.904 -10.150 1.00 0.00 C ATOM 149 CD LYS A 14 -17.054 -12.104 -11.585 1.00 0.00 C ATOM 150 CE LYS A 14 -16.059 -12.943 -12.374 1.00 0.00 C ATOM 151 NZ LYS A 14 -16.163 -14.389 -12.037 1.00 0.00 N ATOM 0 H LYS A 14 -16.820 -8.856 -9.611 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.723 -10.836 -7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.605 -10.147 -10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.527 -11.377 -10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.255 -12.854 -9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.442 -11.580 -9.541 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -18.029 -12.591 -11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.177 -11.134 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.234 -12.805 -13.441 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.047 -12.594 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.542 -14.938 -12.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.873 -14.537 -11.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.146 -14.704 -12.160 1.00 0.00 H new ATOM 165 N GLU A 15 -13.646 -8.538 -9.043 1.00 0.00 N ATOM 166 CA GLU A 15 -12.314 -7.972 -8.861 1.00 0.00 C ATOM 167 C GLU A 15 -11.988 -7.816 -7.378 1.00 0.00 C ATOM 168 O GLU A 15 -11.012 -8.382 -6.885 1.00 0.00 O ATOM 169 CB GLU A 15 -12.212 -6.616 -9.562 1.00 0.00 C ATOM 170 CG GLU A 15 -11.798 -6.715 -11.021 1.00 0.00 C ATOM 171 CD GLU A 15 -12.950 -7.095 -11.930 1.00 0.00 C ATOM 172 OE1 GLU A 15 -13.276 -8.299 -12.004 1.00 0.00 O ATOM 173 OE2 GLU A 15 -13.527 -6.189 -12.567 1.00 0.00 O ATOM 0 H GLU A 15 -14.253 -8.000 -9.662 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.592 -8.657 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.176 -6.111 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.492 -5.995 -9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.386 -5.759 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.003 -7.454 -11.120 1.00 0.00 H new ATOM 180 N GLN A 16 -12.810 -7.044 -6.675 1.00 0.00 N ATOM 181 CA GLN A 16 -12.608 -6.812 -5.250 1.00 0.00 C ATOM 182 C GLN A 16 -12.408 -8.130 -4.507 1.00 0.00 C ATOM 183 O GLN A 16 -11.344 -8.380 -3.943 1.00 0.00 O ATOM 184 CB GLN A 16 -13.800 -6.057 -4.660 1.00 0.00 C ATOM 185 CG GLN A 16 -14.091 -4.738 -5.359 1.00 0.00 C ATOM 186 CD GLN A 16 -15.202 -3.955 -4.689 1.00 0.00 C ATOM 187 OE1 GLN A 16 -16.340 -4.416 -4.606 1.00 0.00 O ATOM 188 NE2 GLN A 16 -14.876 -2.761 -4.206 1.00 0.00 N ATOM 0 H GLN A 16 -13.622 -6.569 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.709 -6.208 -5.130 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.685 -6.691 -4.716 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.611 -5.865 -3.604 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.185 -4.133 -5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.364 -4.933 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.920 -2.418 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.582 -2.188 -3.744 1.00 0.00 H new ATOM 197 N ALA A 17 -13.440 -8.967 -4.510 1.00 0.00 N ATOM 198 CA ALA A 17 -13.377 -10.259 -3.838 1.00 0.00 C ATOM 199 C ALA A 17 -12.086 -10.994 -4.182 1.00 0.00 C ATOM 200 O ALA A 17 -11.418 -11.540 -3.303 1.00 0.00 O ATOM 201 CB ALA A 17 -14.585 -11.107 -4.211 1.00 0.00 C ATOM 0 H ALA A 17 -14.330 -8.774 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.388 -10.083 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.525 -12.069 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.498 -10.593 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.598 -11.267 -5.289 1.00 0.00 H new ATOM 207 N ASP A 18 -11.741 -11.006 -5.465 1.00 0.00 N ATOM 208 CA ASP A 18 -10.529 -11.674 -5.924 1.00 0.00 C ATOM 209 C ASP A 18 -9.298 -11.110 -5.222 1.00 0.00 C ATOM 210 O ASP A 18 -8.297 -11.805 -5.049 1.00 0.00 O ATOM 211 CB ASP A 18 -10.381 -11.524 -7.439 1.00 0.00 C ATOM 212 CG ASP A 18 -11.292 -12.463 -8.206 1.00 0.00 C ATOM 213 OD1 ASP A 18 -11.582 -13.561 -7.688 1.00 0.00 O ATOM 214 OD2 ASP A 18 -11.714 -12.099 -9.324 1.00 0.00 O ATOM 0 H ASP A 18 -12.283 -10.561 -6.205 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.612 -12.733 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.603 -10.495 -7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -9.346 -11.716 -7.721 1.00 0.00 H new ATOM 219 N ALA A 19 -9.379 -9.846 -4.822 1.00 0.00 N ATOM 220 CA ALA A 19 -8.272 -9.189 -4.138 1.00 0.00 C ATOM 221 C ALA A 19 -8.159 -9.664 -2.694 1.00 0.00 C ATOM 222 O ALA A 19 -7.065 -9.961 -2.212 1.00 0.00 O ATOM 223 CB ALA A 19 -8.444 -7.678 -4.186 1.00 0.00 C ATOM 0 H ALA A 19 -10.200 -9.256 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.350 -9.456 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.610 -7.200 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.467 -7.347 -5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.378 -7.402 -3.697 1.00 0.00 H new ATOM 229 N ILE A 20 -9.295 -9.733 -2.008 1.00 0.00 N ATOM 230 CA ILE A 20 -9.322 -10.173 -0.618 1.00 0.00 C ATOM 231 C ILE A 20 -8.900 -11.633 -0.496 1.00 0.00 C ATOM 232 O ILE A 20 -8.074 -11.982 0.348 1.00 0.00 O ATOM 233 CB ILE A 20 -10.723 -10.001 -0.001 1.00 0.00 C ATOM 234 CG1 ILE A 20 -11.071 -8.517 0.122 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.789 -10.681 1.358 1.00 0.00 C ATOM 236 CD1 ILE A 20 -11.803 -7.966 -1.081 1.00 0.00 C ATOM 0 H ILE A 20 -10.208 -9.490 -2.392 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.615 -9.547 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.454 -10.473 -0.658 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -11.685 -8.369 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.153 -7.948 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -11.785 -10.551 1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.579 -11.744 1.243 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.050 -10.235 2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.017 -6.909 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -11.182 -8.082 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -12.738 -8.509 -1.218 1.00 0.00 H new ATOM 248 N ARG A 21 -9.472 -12.482 -1.344 1.00 0.00 N ATOM 249 CA ARG A 21 -9.154 -13.905 -1.331 1.00 0.00 C ATOM 250 C ARG A 21 -7.652 -14.128 -1.474 1.00 0.00 C ATOM 251 O ARG A 21 -7.117 -15.135 -1.010 1.00 0.00 O ATOM 252 CB ARG A 21 -9.898 -14.625 -2.458 1.00 0.00 C ATOM 253 CG ARG A 21 -9.123 -14.673 -3.765 1.00 0.00 C ATOM 254 CD ARG A 21 -9.991 -15.175 -4.908 1.00 0.00 C ATOM 255 NE ARG A 21 -10.136 -16.628 -4.888 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.043 -17.267 -4.157 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.883 -16.583 -3.392 1.00 0.00 N ATOM 258 NH2 ARG A 21 -11.113 -18.591 -4.192 1.00 0.00 N ATOM 0 H ARG A 21 -10.158 -12.209 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.474 -14.315 -0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.123 -15.643 -2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.852 -14.126 -2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.746 -13.678 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.256 -15.324 -3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.976 -14.712 -4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.553 -14.867 -5.858 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.506 -17.183 -5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.833 -15.565 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.579 -17.075 -2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.470 -19.120 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.810 -19.080 -3.630 1.00 0.00 H new ATOM 272 N ARG A 22 -6.977 -13.183 -2.121 1.00 0.00 N ATOM 273 CA ARG A 22 -5.537 -13.277 -2.327 1.00 0.00 C ATOM 274 C ARG A 22 -4.779 -12.813 -1.086 1.00 0.00 C ATOM 275 O ARG A 22 -3.935 -13.536 -0.556 1.00 0.00 O ATOM 276 CB ARG A 22 -5.118 -12.440 -3.537 1.00 0.00 C ATOM 277 CG ARG A 22 -5.420 -13.103 -4.870 1.00 0.00 C ATOM 278 CD ARG A 22 -4.251 -13.948 -5.351 1.00 0.00 C ATOM 279 NE ARG A 22 -4.347 -15.330 -4.889 1.00 0.00 N ATOM 280 CZ ARG A 22 -3.652 -16.331 -5.417 1.00 0.00 C ATOM 281 NH1 ARG A 22 -2.814 -16.105 -6.419 1.00 0.00 N ATOM 282 NH2 ARG A 22 -3.795 -17.562 -4.942 1.00 0.00 N ATOM 0 H ARG A 22 -7.405 -12.343 -2.512 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.289 -14.322 -2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.627 -11.477 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.049 -12.238 -3.475 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.307 -13.729 -4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.648 -12.339 -5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.216 -13.932 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.318 -13.511 -4.996 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.983 -15.538 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.702 -15.160 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.282 -16.876 -6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.439 -17.740 -4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.261 -18.330 -5.348 1.00 0.00 H new ATOM 296 N ILE A 23 -5.085 -11.603 -0.630 1.00 0.00 N ATOM 297 CA ILE A 23 -4.433 -11.044 0.548 1.00 0.00 C ATOM 298 C ILE A 23 -4.326 -12.080 1.661 1.00 0.00 C ATOM 299 O ILE A 23 -3.242 -12.329 2.189 1.00 0.00 O ATOM 300 CB ILE A 23 -5.190 -9.813 1.079 1.00 0.00 C ATOM 301 CG1 ILE A 23 -5.136 -8.674 0.058 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.607 -9.366 2.411 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.757 -7.387 0.555 1.00 0.00 C ATOM 0 H ILE A 23 -5.780 -10.991 -1.058 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.432 -10.740 0.240 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.234 -10.086 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.096 -8.486 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.648 -8.988 -0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.153 -8.495 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.693 -10.175 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.556 -9.107 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.683 -6.624 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.806 -7.559 0.796 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.230 -7.050 1.447 1.00 0.00 H new ATOM 315 N ARG A 24 -5.457 -12.683 2.012 1.00 0.00 N ATOM 316 CA ARG A 24 -5.491 -13.694 3.062 1.00 0.00 C ATOM 317 C ARG A 24 -4.693 -14.929 2.654 1.00 0.00 C ATOM 318 O ARG A 24 -4.265 -15.711 3.502 1.00 0.00 O ATOM 319 CB ARG A 24 -6.936 -14.088 3.374 1.00 0.00 C ATOM 320 CG ARG A 24 -7.650 -14.755 2.210 1.00 0.00 C ATOM 321 CD ARG A 24 -9.158 -14.582 2.309 1.00 0.00 C ATOM 322 NE ARG A 24 -9.878 -15.710 1.725 1.00 0.00 N ATOM 323 CZ ARG A 24 -10.482 -16.649 2.444 1.00 0.00 C ATOM 324 NH1 ARG A 24 -10.453 -16.595 3.769 1.00 0.00 N ATOM 325 NH2 ARG A 24 -11.116 -17.645 1.839 1.00 0.00 N ATOM 0 H ARG A 24 -6.362 -12.489 1.584 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.036 -13.268 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.943 -14.764 4.229 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.491 -13.197 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.295 -14.329 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.405 -15.817 2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.442 -14.473 3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.451 -13.663 1.802 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.919 -15.781 0.708 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.966 -15.831 4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.918 -17.317 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.140 -17.690 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.579 -18.366 2.393 1.00 0.00 H new ATOM 339 N ASN A 25 -4.497 -15.096 1.350 1.00 0.00 N ATOM 340 CA ASN A 25 -3.751 -16.236 0.830 1.00 0.00 C ATOM 341 C ASN A 25 -2.436 -15.785 0.201 1.00 0.00 C ATOM 342 O ASN A 25 -1.821 -16.520 -0.572 1.00 0.00 O ATOM 343 CB ASN A 25 -4.590 -16.993 -0.202 1.00 0.00 C ATOM 344 CG ASN A 25 -5.736 -17.757 0.433 1.00 0.00 C ATOM 345 OD1 ASN A 25 -5.542 -18.506 1.391 1.00 0.00 O ATOM 346 ND2 ASN A 25 -6.938 -17.571 -0.100 1.00 0.00 N ATOM 0 H ASN A 25 -4.844 -14.457 0.635 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.525 -16.901 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -4.987 -16.287 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.951 -17.688 -0.746 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.747 -18.059 0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.052 -16.941 -0.894 1.00 0.00 H new ATOM 353 N SER A 26 -2.011 -14.572 0.537 1.00 0.00 N ATOM 354 CA SER A 26 -0.772 -14.020 0.003 1.00 0.00 C ATOM 355 C SER A 26 0.431 -14.513 0.803 1.00 0.00 C ATOM 356 O SER A 26 0.544 -14.251 2.001 1.00 0.00 O ATOM 357 CB SER A 26 -0.819 -12.491 0.021 1.00 0.00 C ATOM 358 OG SER A 26 -1.436 -11.987 -1.150 1.00 0.00 O ATOM 0 H SER A 26 -2.507 -13.952 1.177 1.00 0.00 H new ATOM 0 HA SER A 26 -0.666 -14.360 -1.027 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.367 -12.151 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.193 -12.094 0.103 1.00 0.00 H new ATOM 0 HG SER A 26 -1.975 -12.692 -1.565 1.00 0.00 H new ATOM 364 N LYS A 27 1.327 -15.228 0.132 1.00 0.00 N ATOM 365 CA LYS A 27 2.523 -15.757 0.777 1.00 0.00 C ATOM 366 C LYS A 27 3.335 -14.637 1.421 1.00 0.00 C ATOM 367 O LYS A 27 4.027 -14.852 2.416 1.00 0.00 O ATOM 368 CB LYS A 27 3.386 -16.508 -0.239 1.00 0.00 C ATOM 369 CG LYS A 27 2.991 -17.964 -0.415 1.00 0.00 C ATOM 370 CD LYS A 27 4.121 -18.779 -1.021 1.00 0.00 C ATOM 371 CE LYS A 27 5.038 -19.344 0.053 1.00 0.00 C ATOM 372 NZ LYS A 27 6.214 -20.045 -0.533 1.00 0.00 N ATOM 0 H LYS A 27 1.248 -15.455 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 27 2.208 -16.449 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.320 -16.003 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.428 -16.459 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.714 -18.386 0.551 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.111 -18.028 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.706 -19.595 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.698 -18.153 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.382 -18.536 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.478 -20.037 0.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.814 -20.415 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.887 -20.832 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.763 -19.378 -1.111 1.00 0.00 H new ATOM 386 N ASP A 28 3.245 -13.442 0.847 1.00 0.00 N ATOM 387 CA ASP A 28 3.969 -12.288 1.367 1.00 0.00 C ATOM 388 C ASP A 28 3.375 -10.989 0.832 1.00 0.00 C ATOM 389 O ASP A 28 2.451 -11.005 0.019 1.00 0.00 O ATOM 390 CB ASP A 28 5.449 -12.378 0.993 1.00 0.00 C ATOM 391 CG ASP A 28 6.242 -13.226 1.969 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.528 -12.738 3.083 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.575 -14.377 1.619 1.00 0.00 O ATOM 0 H ASP A 28 2.678 -13.247 0.022 1.00 0.00 H new ATOM 0 HA ASP A 28 3.876 -12.290 2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.543 -12.798 -0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.874 -11.375 0.959 1.00 0.00 H new ATOM 398 N SER A 29 3.911 -9.864 1.296 1.00 0.00 N ATOM 399 CA SER A 29 3.431 -8.555 0.869 1.00 0.00 C ATOM 400 C SER A 29 3.449 -8.440 -0.652 1.00 0.00 C ATOM 401 O SER A 29 2.508 -7.928 -1.258 1.00 0.00 O ATOM 402 CB SER A 29 4.287 -7.448 1.487 1.00 0.00 C ATOM 403 OG SER A 29 5.662 -7.657 1.218 1.00 0.00 O ATOM 0 H SER A 29 4.678 -9.833 1.968 1.00 0.00 H new ATOM 0 HA SER A 29 2.403 -8.442 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.978 -6.481 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.125 -7.417 2.564 1.00 0.00 H new ATOM 0 HG SER A 29 6.124 -7.904 2.046 1.00 0.00 H new ATOM 409 N TRP A 30 4.527 -8.919 -1.262 1.00 0.00 N ATOM 410 CA TRP A 30 4.670 -8.870 -2.713 1.00 0.00 C ATOM 411 C TRP A 30 3.413 -9.390 -3.401 1.00 0.00 C ATOM 412 O TRP A 30 3.005 -8.875 -4.442 1.00 0.00 O ATOM 413 CB TRP A 30 5.885 -9.688 -3.154 1.00 0.00 C ATOM 414 CG TRP A 30 7.110 -9.421 -2.334 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.893 -10.347 -1.706 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.692 -8.143 -2.053 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.927 -9.721 -1.051 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.826 -8.370 -1.249 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.367 -6.830 -2.405 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.633 -7.331 -0.791 1.00 0.00 C ATOM 421 CZ3 TRP A 30 8.168 -5.801 -1.949 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.291 -6.056 -1.150 1.00 0.00 C ATOM 0 H TRP A 30 5.315 -9.346 -0.775 1.00 0.00 H new ATOM 0 HA TRP A 30 4.817 -7.830 -3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.641 -10.749 -3.095 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.102 -9.469 -4.200 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.725 -11.414 -1.722 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.652 -10.187 -0.506 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.505 -6.624 -3.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.498 -7.525 -0.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.925 -4.782 -2.213 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.898 -5.230 -0.811 1.00 0.00 H new ATOM 433 N ASP A 31 2.803 -10.414 -2.814 1.00 0.00 N ATOM 434 CA ASP A 31 1.591 -11.004 -3.371 1.00 0.00 C ATOM 435 C ASP A 31 0.396 -10.076 -3.175 1.00 0.00 C ATOM 436 O ASP A 31 -0.403 -9.877 -4.089 1.00 0.00 O ATOM 437 CB ASP A 31 1.312 -12.359 -2.720 1.00 0.00 C ATOM 438 CG ASP A 31 0.602 -13.316 -3.656 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.287 -12.862 -4.407 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.934 -14.520 -3.639 1.00 0.00 O ATOM 0 H ASP A 31 3.128 -10.853 -1.952 1.00 0.00 H new ATOM 0 HA ASP A 31 1.745 -11.149 -4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.253 -12.804 -2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.705 -12.211 -1.827 1.00 0.00 H new ATOM 445 N MET A 32 0.282 -9.512 -1.978 1.00 0.00 N ATOM 446 CA MET A 32 -0.816 -8.605 -1.663 1.00 0.00 C ATOM 447 C MET A 32 -0.819 -7.406 -2.607 1.00 0.00 C ATOM 448 O MET A 32 -1.740 -7.236 -3.407 1.00 0.00 O ATOM 449 CB MET A 32 -0.711 -8.127 -0.213 1.00 0.00 C ATOM 450 CG MET A 32 -1.329 -9.087 0.790 1.00 0.00 C ATOM 451 SD MET A 32 -0.926 -8.664 2.496 1.00 0.00 S ATOM 452 CE MET A 32 0.342 -9.877 2.854 1.00 0.00 C ATOM 0 H MET A 32 0.936 -9.666 -1.210 1.00 0.00 H new ATOM 0 HA MET A 32 -1.752 -9.149 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.340 -7.980 0.037 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.199 -7.157 -0.123 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.412 -9.088 0.666 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.983 -10.099 0.579 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.021 -9.482 3.610 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.123 -10.790 3.225 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.901 -10.098 1.945 1.00 0.00 H new ATOM 462 N LEU A 33 0.216 -6.579 -2.509 1.00 0.00 N ATOM 463 CA LEU A 33 0.332 -5.396 -3.354 1.00 0.00 C ATOM 464 C LEU A 33 0.499 -5.788 -4.819 1.00 0.00 C ATOM 465 O LEU A 33 0.062 -5.070 -5.717 1.00 0.00 O ATOM 466 CB LEU A 33 1.517 -4.539 -2.905 1.00 0.00 C ATOM 467 CG LEU A 33 1.558 -4.175 -1.421 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.871 -3.489 -1.076 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.378 -3.286 -1.057 1.00 0.00 C ATOM 0 H LEU A 33 0.987 -6.706 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.586 -4.817 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.437 -5.068 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.512 -3.616 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 33 1.488 -5.094 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.882 -3.237 -0.016 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.701 -4.159 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.972 -2.578 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.424 -3.037 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.417 -2.370 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.553 -3.813 -1.266 1.00 0.00 H new ATOM 481 N GLY A 34 1.132 -6.934 -5.051 1.00 0.00 N ATOM 482 CA GLY A 34 1.343 -7.402 -6.409 1.00 0.00 C ATOM 483 C GLY A 34 2.556 -6.768 -7.059 1.00 0.00 C ATOM 484 O GLY A 34 2.529 -6.428 -8.242 1.00 0.00 O ATOM 0 H GLY A 34 1.502 -7.546 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.463 -8.485 -6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.458 -7.183 -7.007 1.00 0.00 H new ATOM 488 N VAL A 35 3.624 -6.606 -6.284 1.00 0.00 N ATOM 489 CA VAL A 35 4.853 -6.007 -6.791 1.00 0.00 C ATOM 490 C VAL A 35 6.066 -6.859 -6.436 1.00 0.00 C ATOM 491 O VAL A 35 6.112 -7.482 -5.375 1.00 0.00 O ATOM 492 CB VAL A 35 5.056 -4.585 -6.234 1.00 0.00 C ATOM 493 CG1 VAL A 35 4.078 -3.615 -6.878 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.907 -4.580 -4.721 1.00 0.00 C ATOM 0 H VAL A 35 3.663 -6.881 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 35 4.755 -5.953 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 35 6.067 -4.259 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.236 -2.616 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.238 -3.599 -7.956 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.057 -3.934 -6.668 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.054 -3.568 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.909 -4.926 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.652 -5.243 -4.280 1.00 0.00 H new ATOM 504 N LYS A 36 7.049 -6.880 -7.329 1.00 0.00 N ATOM 505 CA LYS A 36 8.266 -7.653 -7.111 1.00 0.00 C ATOM 506 C LYS A 36 8.975 -7.204 -5.837 1.00 0.00 C ATOM 507 O LYS A 36 8.860 -6.057 -5.406 1.00 0.00 O ATOM 508 CB LYS A 36 9.208 -7.511 -8.309 1.00 0.00 C ATOM 509 CG LYS A 36 9.938 -6.180 -8.353 1.00 0.00 C ATOM 510 CD LYS A 36 9.199 -5.166 -9.210 1.00 0.00 C ATOM 511 CE LYS A 36 9.271 -5.526 -10.686 1.00 0.00 C ATOM 512 NZ LYS A 36 8.067 -5.061 -11.429 1.00 0.00 N ATOM 0 H LYS A 36 7.027 -6.370 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 36 7.986 -8.700 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.941 -8.317 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.635 -7.632 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.048 -5.791 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.943 -6.328 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.156 -5.115 -8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.627 -4.176 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.164 -5.081 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.369 -6.606 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.154 -5.325 -12.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.217 -5.505 -11.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.988 -4.027 -11.349 1.00 0.00 H new ATOM 526 N PRO A 37 9.727 -8.128 -5.220 1.00 0.00 N ATOM 527 CA PRO A 37 10.471 -7.849 -3.988 1.00 0.00 C ATOM 528 C PRO A 37 11.646 -6.906 -4.222 1.00 0.00 C ATOM 529 O PRO A 37 12.403 -6.602 -3.301 1.00 0.00 O ATOM 530 CB PRO A 37 10.971 -9.229 -3.555 1.00 0.00 C ATOM 531 CG PRO A 37 11.032 -10.022 -4.815 1.00 0.00 C ATOM 532 CD PRO A 37 9.910 -9.515 -5.678 1.00 0.00 C ATOM 0 HA PRO A 37 9.852 -7.352 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.950 -9.164 -3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.295 -9.686 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.994 -9.894 -5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.918 -11.087 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.166 -9.558 -6.737 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.003 -10.105 -5.545 1.00 0.00 H new ATOM 540 N GLY A 38 11.792 -6.445 -5.460 1.00 0.00 N ATOM 541 CA GLY A 38 12.878 -5.540 -5.792 1.00 0.00 C ATOM 542 C GLY A 38 12.382 -4.200 -6.298 1.00 0.00 C ATOM 543 O GLY A 38 13.082 -3.511 -7.039 1.00 0.00 O ATOM 0 H GLY A 38 11.178 -6.682 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.500 -5.384 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.511 -6.000 -6.551 1.00 0.00 H new ATOM 547 N ALA A 39 11.170 -3.830 -5.898 1.00 0.00 N ATOM 548 CA ALA A 39 10.581 -2.564 -6.315 1.00 0.00 C ATOM 549 C ALA A 39 11.037 -1.423 -5.412 1.00 0.00 C ATOM 550 O ALA A 39 11.747 -1.641 -4.430 1.00 0.00 O ATOM 551 CB ALA A 39 9.063 -2.663 -6.317 1.00 0.00 C ATOM 0 H ALA A 39 10.577 -4.390 -5.285 1.00 0.00 H new ATOM 0 HA ALA A 39 10.921 -2.350 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.637 -1.710 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.750 -3.445 -7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.713 -2.905 -5.313 1.00 0.00 H new ATOM 557 N SER A 40 10.626 -0.205 -5.752 1.00 0.00 N ATOM 558 CA SER A 40 10.997 0.972 -4.975 1.00 0.00 C ATOM 559 C SER A 40 9.774 1.583 -4.298 1.00 0.00 C ATOM 560 O SER A 40 8.637 1.227 -4.607 1.00 0.00 O ATOM 561 CB SER A 40 11.670 2.011 -5.873 1.00 0.00 C ATOM 562 OG SER A 40 13.030 1.684 -6.101 1.00 0.00 O ATOM 0 H SER A 40 10.036 -0.008 -6.560 1.00 0.00 H new ATOM 0 HA SER A 40 11.700 0.660 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.142 2.070 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.602 2.995 -5.410 1.00 0.00 H new ATOM 0 HG SER A 40 13.437 2.363 -6.679 1.00 0.00 H new ATOM 568 N ARG A 41 10.017 2.505 -3.372 1.00 0.00 N ATOM 569 CA ARG A 41 8.936 3.166 -2.650 1.00 0.00 C ATOM 570 C ARG A 41 7.838 3.617 -3.609 1.00 0.00 C ATOM 571 O ARG A 41 6.651 3.421 -3.345 1.00 0.00 O ATOM 572 CB ARG A 41 9.475 4.369 -1.873 1.00 0.00 C ATOM 573 CG ARG A 41 8.387 5.226 -1.247 1.00 0.00 C ATOM 574 CD ARG A 41 8.936 6.092 -0.125 1.00 0.00 C ATOM 575 NE ARG A 41 8.988 5.374 1.146 1.00 0.00 N ATOM 576 CZ ARG A 41 9.560 5.859 2.242 1.00 0.00 C ATOM 577 NH1 ARG A 41 10.127 7.057 2.222 1.00 0.00 N ATOM 578 NH2 ARG A 41 9.567 5.145 3.360 1.00 0.00 N ATOM 0 H ARG A 41 10.952 2.811 -3.104 1.00 0.00 H new ATOM 0 HA ARG A 41 8.510 2.449 -1.948 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.143 4.014 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.071 4.987 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.938 5.860 -2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.596 4.585 -0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.936 6.435 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.313 6.980 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 41 8.561 4.449 1.194 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.124 7.608 1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.566 7.428 3.065 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.133 4.222 3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.007 5.519 4.201 1.00 0.00 H new ATOM 592 N ASP A 42 8.242 4.222 -4.720 1.00 0.00 N ATOM 593 CA ASP A 42 7.292 4.700 -5.719 1.00 0.00 C ATOM 594 C ASP A 42 6.399 3.564 -6.208 1.00 0.00 C ATOM 595 O ASP A 42 5.182 3.715 -6.299 1.00 0.00 O ATOM 596 CB ASP A 42 8.034 5.327 -6.900 1.00 0.00 C ATOM 597 CG ASP A 42 7.172 6.308 -7.670 1.00 0.00 C ATOM 598 OD1 ASP A 42 6.262 6.907 -7.058 1.00 0.00 O ATOM 599 OD2 ASP A 42 7.408 6.478 -8.885 1.00 0.00 O ATOM 0 H ASP A 42 9.220 4.393 -4.952 1.00 0.00 H new ATOM 0 HA ASP A 42 6.662 5.457 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.925 5.839 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.372 4.539 -7.573 1.00 0.00 H new ATOM 604 N GLU A 43 7.014 2.428 -6.522 1.00 0.00 N ATOM 605 CA GLU A 43 6.275 1.268 -7.004 1.00 0.00 C ATOM 606 C GLU A 43 5.290 0.773 -5.948 1.00 0.00 C ATOM 607 O GLU A 43 4.080 0.750 -6.173 1.00 0.00 O ATOM 608 CB GLU A 43 7.239 0.142 -7.385 1.00 0.00 C ATOM 609 CG GLU A 43 8.084 0.453 -8.610 1.00 0.00 C ATOM 610 CD GLU A 43 9.044 -0.668 -8.956 1.00 0.00 C ATOM 611 OE1 GLU A 43 8.570 -1.759 -9.336 1.00 0.00 O ATOM 612 OE2 GLU A 43 10.270 -0.455 -8.846 1.00 0.00 O ATOM 0 H GLU A 43 8.022 2.287 -6.451 1.00 0.00 H new ATOM 0 HA GLU A 43 5.713 1.570 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.898 -0.062 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.667 -0.768 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.429 0.641 -9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.649 1.369 -8.434 1.00 0.00 H new ATOM 619 N VAL A 44 5.819 0.377 -4.794 1.00 0.00 N ATOM 620 CA VAL A 44 4.989 -0.117 -3.702 1.00 0.00 C ATOM 621 C VAL A 44 3.787 0.792 -3.471 1.00 0.00 C ATOM 622 O VAL A 44 2.659 0.323 -3.330 1.00 0.00 O ATOM 623 CB VAL A 44 5.792 -0.231 -2.393 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.924 -0.801 -1.282 1.00 0.00 C ATOM 625 CG2 VAL A 44 7.033 -1.086 -2.603 1.00 0.00 C ATOM 0 H VAL A 44 6.819 0.389 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 44 4.641 -1.108 -3.993 1.00 0.00 H new ATOM 0 HB VAL A 44 6.112 0.767 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.508 -0.874 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.069 -0.146 -1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.572 -1.792 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.589 -1.156 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.737 -2.084 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.664 -0.631 -3.367 1.00 0.00 H new ATOM 635 N ASN A 45 4.038 2.097 -3.433 1.00 0.00 N ATOM 636 CA ASN A 45 2.977 3.073 -3.218 1.00 0.00 C ATOM 637 C ASN A 45 1.954 3.023 -4.349 1.00 0.00 C ATOM 638 O ASN A 45 0.747 3.000 -4.109 1.00 0.00 O ATOM 639 CB ASN A 45 3.565 4.482 -3.110 1.00 0.00 C ATOM 640 CG ASN A 45 3.931 4.847 -1.684 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.097 5.342 -0.925 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.183 4.605 -1.314 1.00 0.00 N ATOM 0 H ASN A 45 4.967 2.502 -3.548 1.00 0.00 H new ATOM 0 HA ASN A 45 2.473 2.824 -2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.452 4.552 -3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.844 5.204 -3.494 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.488 4.831 -0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.840 4.193 -1.977 1.00 0.00 H new ATOM 649 N LYS A 46 2.446 3.006 -5.583 1.00 0.00 N ATOM 650 CA LYS A 46 1.577 2.956 -6.753 1.00 0.00 C ATOM 651 C LYS A 46 0.665 1.734 -6.702 1.00 0.00 C ATOM 652 O LYS A 46 -0.537 1.834 -6.945 1.00 0.00 O ATOM 653 CB LYS A 46 2.413 2.929 -8.035 1.00 0.00 C ATOM 654 CG LYS A 46 2.960 4.288 -8.433 1.00 0.00 C ATOM 655 CD LYS A 46 1.868 5.188 -8.988 1.00 0.00 C ATOM 656 CE LYS A 46 2.253 6.656 -8.894 1.00 0.00 C ATOM 657 NZ LYS A 46 1.068 7.549 -9.009 1.00 0.00 N ATOM 0 H LYS A 46 3.443 3.026 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 46 0.956 3.851 -6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.244 2.237 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.802 2.540 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.420 4.764 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.743 4.161 -9.180 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.675 4.928 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.942 5.018 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.755 6.840 -7.944 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.966 6.896 -9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.373 8.541 -8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.603 7.393 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.399 7.338 -8.241 1.00 0.00 H new ATOM 671 N ALA A 47 1.246 0.581 -6.384 1.00 0.00 N ATOM 672 CA ALA A 47 0.485 -0.659 -6.298 1.00 0.00 C ATOM 673 C ALA A 47 -0.432 -0.657 -5.080 1.00 0.00 C ATOM 674 O ALA A 47 -1.521 -1.231 -5.110 1.00 0.00 O ATOM 675 CB ALA A 47 1.426 -1.854 -6.251 1.00 0.00 C ATOM 0 H ALA A 47 2.241 0.481 -6.182 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.138 -0.736 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.844 -2.773 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.036 -1.873 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.074 -1.773 -5.378 1.00 0.00 H new ATOM 681 N TYR A 48 0.015 -0.009 -4.010 1.00 0.00 N ATOM 682 CA TYR A 48 -0.765 0.065 -2.780 1.00 0.00 C ATOM 683 C TYR A 48 -2.001 0.939 -2.970 1.00 0.00 C ATOM 684 O TYR A 48 -3.074 0.639 -2.446 1.00 0.00 O ATOM 685 CB TYR A 48 0.093 0.615 -1.640 1.00 0.00 C ATOM 686 CG TYR A 48 -0.698 1.378 -0.601 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.306 0.718 0.460 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.838 2.758 -0.681 1.00 0.00 C ATOM 689 CE1 TYR A 48 -2.030 1.411 1.411 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.559 3.459 0.266 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.153 2.781 1.310 1.00 0.00 C ATOM 692 OH TYR A 48 -2.873 3.475 2.255 1.00 0.00 O ATOM 0 H TYR A 48 0.913 0.473 -3.969 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.092 -0.943 -2.526 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.611 -0.212 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.858 1.271 -2.056 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.211 -0.355 0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.375 3.292 -1.498 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.497 0.883 2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.657 4.532 0.189 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.861 4.431 2.039 1.00 0.00 H new ATOM 702 N ARG A 49 -1.841 2.022 -3.724 1.00 0.00 N ATOM 703 CA ARG A 49 -2.942 2.941 -3.984 1.00 0.00 C ATOM 704 C ARG A 49 -4.058 2.248 -4.761 1.00 0.00 C ATOM 705 O ARG A 49 -5.170 2.086 -4.260 1.00 0.00 O ATOM 706 CB ARG A 49 -2.444 4.160 -4.763 1.00 0.00 C ATOM 707 CG ARG A 49 -1.761 5.202 -3.893 1.00 0.00 C ATOM 708 CD ARG A 49 -1.347 6.420 -4.704 1.00 0.00 C ATOM 709 NE ARG A 49 -2.489 7.265 -5.044 1.00 0.00 N ATOM 710 CZ ARG A 49 -2.983 8.194 -4.233 1.00 0.00 C ATOM 711 NH1 ARG A 49 -2.438 8.396 -3.041 1.00 0.00 N ATOM 712 NH2 ARG A 49 -4.024 8.923 -4.614 1.00 0.00 N ATOM 0 H ARG A 49 -0.960 2.284 -4.165 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.341 3.270 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.747 3.829 -5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.288 4.623 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.435 5.508 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.883 4.763 -3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.621 7.003 -4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.851 6.095 -5.619 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.931 7.135 -5.954 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.638 7.837 -2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.819 9.110 -2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.446 8.770 -5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.403 9.636 -3.991 1.00 0.00 H new ATOM 726 N LYS A 50 -3.752 1.841 -5.988 1.00 0.00 N ATOM 727 CA LYS A 50 -4.727 1.165 -6.836 1.00 0.00 C ATOM 728 C LYS A 50 -5.501 0.116 -6.043 1.00 0.00 C ATOM 729 O LYS A 50 -6.720 -0.002 -6.177 1.00 0.00 O ATOM 730 CB LYS A 50 -4.027 0.505 -8.027 1.00 0.00 C ATOM 731 CG LYS A 50 -3.072 -0.607 -7.631 1.00 0.00 C ATOM 732 CD LYS A 50 -2.419 -1.241 -8.848 1.00 0.00 C ATOM 733 CE LYS A 50 -1.753 -2.563 -8.499 1.00 0.00 C ATOM 734 NZ LYS A 50 -2.731 -3.685 -8.465 1.00 0.00 N ATOM 0 H LYS A 50 -2.836 1.968 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.431 1.911 -7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.781 0.101 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.476 1.265 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.302 -0.209 -6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.612 -1.369 -7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.170 -1.404 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.678 -0.557 -9.262 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.975 -2.782 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.264 -2.478 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.238 -4.568 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.460 -3.489 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.180 -3.783 -9.398 1.00 0.00 H new ATOM 748 N LEU A 51 -4.788 -0.642 -5.218 1.00 0.00 N ATOM 749 CA LEU A 51 -5.409 -1.680 -4.403 1.00 0.00 C ATOM 750 C LEU A 51 -6.295 -1.066 -3.323 1.00 0.00 C ATOM 751 O LEU A 51 -7.487 -1.360 -3.243 1.00 0.00 O ATOM 752 CB LEU A 51 -4.337 -2.561 -3.760 1.00 0.00 C ATOM 753 CG LEU A 51 -4.788 -3.952 -3.316 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.310 -4.748 -4.503 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.646 -4.693 -2.637 1.00 0.00 C ATOM 0 H LEU A 51 -3.779 -0.557 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.032 -2.294 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.517 -2.676 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.937 -2.037 -2.892 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.598 -3.837 -2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.627 -5.736 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.158 -4.226 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.520 -4.853 -5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.986 -5.681 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.814 -4.797 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.318 -4.132 -1.762 1.00 0.00 H new ATOM 767 N ALA A 52 -5.703 -0.211 -2.495 1.00 0.00 N ATOM 768 CA ALA A 52 -6.439 0.447 -1.422 1.00 0.00 C ATOM 769 C ALA A 52 -7.789 0.957 -1.915 1.00 0.00 C ATOM 770 O ALA A 52 -8.815 0.755 -1.266 1.00 0.00 O ATOM 771 CB ALA A 52 -5.619 1.591 -0.844 1.00 0.00 C ATOM 0 H ALA A 52 -4.716 0.042 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.622 -0.287 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.181 2.073 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.682 1.202 -0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.406 2.318 -1.627 1.00 0.00 H new ATOM 777 N VAL A 53 -7.781 1.620 -3.068 1.00 0.00 N ATOM 778 CA VAL A 53 -9.005 2.159 -3.648 1.00 0.00 C ATOM 779 C VAL A 53 -10.002 1.048 -3.957 1.00 0.00 C ATOM 780 O VAL A 53 -11.215 1.257 -3.911 1.00 0.00 O ATOM 781 CB VAL A 53 -8.714 2.946 -4.939 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.007 3.455 -5.557 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.759 4.097 -4.658 1.00 0.00 C ATOM 0 H VAL A 53 -6.940 1.796 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.436 2.834 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.237 2.275 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.781 4.009 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.653 2.610 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.515 4.111 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.565 4.642 -5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.206 4.770 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.822 3.704 -4.264 1.00 0.00 H new ATOM 793 N LEU A 54 -9.484 -0.134 -4.272 1.00 0.00 N ATOM 794 CA LEU A 54 -10.329 -1.280 -4.589 1.00 0.00 C ATOM 795 C LEU A 54 -10.850 -1.940 -3.316 1.00 0.00 C ATOM 796 O LEU A 54 -11.957 -2.479 -3.292 1.00 0.00 O ATOM 797 CB LEU A 54 -9.549 -2.299 -5.423 1.00 0.00 C ATOM 798 CG LEU A 54 -10.347 -3.500 -5.932 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.378 -3.059 -6.960 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.414 -4.547 -6.524 1.00 0.00 C ATOM 0 H LEU A 54 -8.483 -0.324 -4.315 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.181 -0.923 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.119 -1.783 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.717 -2.668 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.874 -3.947 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.936 -3.927 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.065 -2.346 -6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.873 -2.588 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.999 -5.395 -6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.860 -4.112 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.715 -4.885 -5.759 1.00 0.00 H new ATOM 812 N LEU A 55 -10.046 -1.893 -2.260 1.00 0.00 N ATOM 813 CA LEU A 55 -10.427 -2.485 -0.981 1.00 0.00 C ATOM 814 C LEU A 55 -10.960 -1.421 -0.026 1.00 0.00 C ATOM 815 O LEU A 55 -11.218 -1.698 1.145 1.00 0.00 O ATOM 816 CB LEU A 55 -9.230 -3.199 -0.351 1.00 0.00 C ATOM 817 CG LEU A 55 -8.454 -4.145 -1.268 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.087 -4.458 -0.678 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.241 -5.425 -1.503 1.00 0.00 C ATOM 0 H LEU A 55 -9.126 -1.452 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.219 -3.211 -1.166 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.540 -2.444 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.583 -3.768 0.509 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.308 -3.651 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.549 -5.133 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.520 -3.534 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.211 -4.932 0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.673 -6.086 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.419 -5.923 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.196 -5.184 -1.970 1.00 0.00 H new ATOM 831 N HIS A 56 -11.124 -0.204 -0.536 1.00 0.00 N ATOM 832 CA HIS A 56 -11.629 0.901 0.271 1.00 0.00 C ATOM 833 C HIS A 56 -12.930 0.514 0.968 1.00 0.00 C ATOM 834 O HIS A 56 -13.783 -0.173 0.406 1.00 0.00 O ATOM 835 CB HIS A 56 -11.851 2.137 -0.600 1.00 0.00 C ATOM 836 CG HIS A 56 -11.645 3.429 0.128 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.665 4.321 0.381 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.528 3.976 0.662 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.184 5.363 1.036 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.889 5.177 1.220 1.00 0.00 N ATOM 0 H HIS A 56 -10.915 0.041 -1.504 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.884 1.132 1.033 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.172 2.097 -1.452 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.865 2.112 -0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.537 3.547 0.651 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.752 6.220 1.365 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.260 5.821 1.699 1.00 0.00 H new ATOM 848 N PRO A 57 -13.087 0.963 2.222 1.00 0.00 N ATOM 849 CA PRO A 57 -14.281 0.677 3.022 1.00 0.00 C ATOM 850 C PRO A 57 -15.516 1.404 2.503 1.00 0.00 C ATOM 851 O PRO A 57 -16.621 0.863 2.521 1.00 0.00 O ATOM 852 CB PRO A 57 -13.905 1.188 4.415 1.00 0.00 C ATOM 853 CG PRO A 57 -12.875 2.235 4.170 1.00 0.00 C ATOM 854 CD PRO A 57 -12.110 1.787 2.955 1.00 0.00 C ATOM 0 HA PRO A 57 -14.544 -0.381 2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.772 1.599 4.933 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.512 0.385 5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.339 3.207 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.214 2.341 5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.771 2.634 2.359 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.224 1.213 3.227 1.00 0.00 H new ATOM 862 N ASP A 58 -15.320 2.634 2.039 1.00 0.00 N ATOM 863 CA ASP A 58 -16.419 3.436 1.512 1.00 0.00 C ATOM 864 C ASP A 58 -16.760 3.019 0.085 1.00 0.00 C ATOM 865 O ASP A 58 -17.742 3.487 -0.492 1.00 0.00 O ATOM 866 CB ASP A 58 -16.058 4.921 1.551 1.00 0.00 C ATOM 867 CG ASP A 58 -16.175 5.510 2.943 1.00 0.00 C ATOM 868 OD1 ASP A 58 -17.232 5.320 3.581 1.00 0.00 O ATOM 869 OD2 ASP A 58 -15.210 6.160 3.395 1.00 0.00 O ATOM 0 H ASP A 58 -14.411 3.097 2.017 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.294 3.267 2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.039 5.054 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -16.712 5.469 0.872 1.00 0.00 H new ATOM 874 N LYS A 59 -15.942 2.138 -0.480 1.00 0.00 N ATOM 875 CA LYS A 59 -16.156 1.657 -1.840 1.00 0.00 C ATOM 876 C LYS A 59 -16.400 0.151 -1.853 1.00 0.00 C ATOM 877 O LYS A 59 -16.980 -0.385 -2.798 1.00 0.00 O ATOM 878 CB LYS A 59 -14.949 1.996 -2.718 1.00 0.00 C ATOM 879 CG LYS A 59 -14.550 3.460 -2.665 1.00 0.00 C ATOM 880 CD LYS A 59 -13.165 3.683 -3.248 1.00 0.00 C ATOM 881 CE LYS A 59 -12.702 5.118 -3.054 1.00 0.00 C ATOM 882 NZ LYS A 59 -11.233 5.260 -3.255 1.00 0.00 N ATOM 0 H LYS A 59 -15.124 1.742 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.040 2.154 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.101 1.386 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.174 1.727 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.278 4.056 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.571 3.806 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.456 3.004 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.174 3.443 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.228 5.767 -3.754 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.965 5.452 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.861 5.978 -2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.768 4.349 -3.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.043 5.553 -4.235 1.00 0.00 H new ATOM 896 N CYS A 60 -15.956 -0.524 -0.799 1.00 0.00 N ATOM 897 CA CYS A 60 -16.128 -1.969 -0.689 1.00 0.00 C ATOM 898 C CYS A 60 -16.746 -2.342 0.655 1.00 0.00 C ATOM 899 O CYS A 60 -16.063 -2.364 1.679 1.00 0.00 O ATOM 900 CB CYS A 60 -14.783 -2.677 -0.860 1.00 0.00 C ATOM 901 SG CYS A 60 -14.912 -4.354 -1.524 1.00 0.00 S ATOM 0 H CYS A 60 -15.475 -0.095 -0.009 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.804 -2.292 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.153 -2.083 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.280 -2.718 0.106 1.00 0.00 H new ATOM 0 HG CYS A 60 -13.724 -4.869 -1.635 1.00 0.00 H new ATOM 907 N VAL A 61 -18.042 -2.634 0.643 1.00 0.00 N ATOM 908 CA VAL A 61 -18.753 -3.006 1.860 1.00 0.00 C ATOM 909 C VAL A 61 -18.625 -4.500 2.137 1.00 0.00 C ATOM 910 O VAL A 61 -19.289 -5.037 3.023 1.00 0.00 O ATOM 911 CB VAL A 61 -20.246 -2.637 1.774 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.418 -1.131 1.647 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.906 -3.357 0.607 1.00 0.00 C ATOM 0 H VAL A 61 -18.621 -2.620 -0.196 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.295 -2.448 2.676 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.735 -2.958 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.479 -0.890 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -19.983 -0.640 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.916 -0.782 0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.960 -3.085 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.416 -3.068 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.815 -4.434 0.746 1.00 0.00 H new ATOM 923 N ALA A 62 -17.766 -5.166 1.372 1.00 0.00 N ATOM 924 CA ALA A 62 -17.549 -6.598 1.536 1.00 0.00 C ATOM 925 C ALA A 62 -17.092 -6.925 2.954 1.00 0.00 C ATOM 926 O ALA A 62 -16.536 -6.086 3.662 1.00 0.00 O ATOM 927 CB ALA A 62 -16.529 -7.097 0.523 1.00 0.00 C ATOM 0 H ALA A 62 -17.209 -4.737 0.633 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.497 -7.106 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.377 -8.168 0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.895 -6.906 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.584 -6.575 0.671 1.00 0.00 H new ATOM 933 N PRO A 63 -17.332 -8.174 3.380 1.00 0.00 N ATOM 934 CA PRO A 63 -16.953 -8.641 4.717 1.00 0.00 C ATOM 935 C PRO A 63 -15.443 -8.770 4.880 1.00 0.00 C ATOM 936 O PRO A 63 -14.906 -8.573 5.969 1.00 0.00 O ATOM 937 CB PRO A 63 -17.621 -10.014 4.816 1.00 0.00 C ATOM 938 CG PRO A 63 -17.762 -10.470 3.405 1.00 0.00 C ATOM 939 CD PRO A 63 -17.991 -9.227 2.590 1.00 0.00 C ATOM 0 HA PRO A 63 -17.264 -7.944 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.014 -10.708 5.398 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.591 -9.948 5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.866 -10.995 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.596 -11.164 3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.556 -9.314 1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -19.054 -9.024 2.457 1.00 0.00 H new ATOM 947 N GLY A 64 -14.761 -9.103 3.787 1.00 0.00 N ATOM 948 CA GLY A 64 -13.318 -9.252 3.831 1.00 0.00 C ATOM 949 C GLY A 64 -12.591 -7.987 3.419 1.00 0.00 C ATOM 950 O GLY A 64 -11.475 -7.730 3.870 1.00 0.00 O ATOM 0 H GLY A 64 -15.182 -9.272 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.015 -9.529 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.020 -10.069 3.174 1.00 0.00 H new ATOM 954 N SER A 65 -13.224 -7.196 2.558 1.00 0.00 N ATOM 955 CA SER A 65 -12.628 -5.954 2.081 1.00 0.00 C ATOM 956 C SER A 65 -11.974 -5.190 3.228 1.00 0.00 C ATOM 957 O SER A 65 -10.912 -4.592 3.063 1.00 0.00 O ATOM 958 CB SER A 65 -13.689 -5.080 1.410 1.00 0.00 C ATOM 959 OG SER A 65 -14.680 -4.677 2.339 1.00 0.00 O ATOM 0 H SER A 65 -14.149 -7.393 2.177 1.00 0.00 H new ATOM 0 HA SER A 65 -11.859 -6.205 1.350 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.217 -4.200 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.155 -5.631 0.593 1.00 0.00 H new ATOM 0 HG SER A 65 -15.110 -3.855 2.022 1.00 0.00 H new ATOM 965 N GLU A 66 -12.618 -5.215 4.391 1.00 0.00 N ATOM 966 CA GLU A 66 -12.100 -4.524 5.566 1.00 0.00 C ATOM 967 C GLU A 66 -10.743 -5.089 5.975 1.00 0.00 C ATOM 968 O GLU A 66 -9.753 -4.361 6.055 1.00 0.00 O ATOM 969 CB GLU A 66 -13.086 -4.640 6.730 1.00 0.00 C ATOM 970 CG GLU A 66 -12.582 -4.013 8.019 1.00 0.00 C ATOM 971 CD GLU A 66 -13.129 -4.701 9.255 1.00 0.00 C ATOM 972 OE1 GLU A 66 -14.335 -4.543 9.537 1.00 0.00 O ATOM 973 OE2 GLU A 66 -12.350 -5.396 9.940 1.00 0.00 O ATOM 0 H GLU A 66 -13.499 -5.706 4.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.974 -3.472 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.026 -4.165 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.302 -5.693 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.493 -4.054 8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.862 -2.960 8.040 1.00 0.00 H new ATOM 980 N ASP A 67 -10.706 -6.392 6.234 1.00 0.00 N ATOM 981 CA ASP A 67 -9.471 -7.057 6.635 1.00 0.00 C ATOM 982 C ASP A 67 -8.406 -6.924 5.552 1.00 0.00 C ATOM 983 O ASP A 67 -7.221 -6.770 5.848 1.00 0.00 O ATOM 984 CB ASP A 67 -9.735 -8.534 6.931 1.00 0.00 C ATOM 985 CG ASP A 67 -8.633 -9.165 7.759 1.00 0.00 C ATOM 986 OD1 ASP A 67 -8.551 -8.862 8.968 1.00 0.00 O ATOM 987 OD2 ASP A 67 -7.853 -9.962 7.198 1.00 0.00 O ATOM 0 H ASP A 67 -11.516 -7.008 6.173 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.104 -6.574 7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.683 -8.632 7.459 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.836 -9.077 5.991 1.00 0.00 H new ATOM 992 N ALA A 68 -8.836 -6.986 4.296 1.00 0.00 N ATOM 993 CA ALA A 68 -7.920 -6.872 3.168 1.00 0.00 C ATOM 994 C ALA A 68 -7.132 -5.568 3.231 1.00 0.00 C ATOM 995 O ALA A 68 -5.901 -5.571 3.186 1.00 0.00 O ATOM 996 CB ALA A 68 -8.683 -6.967 1.856 1.00 0.00 C ATOM 0 H ALA A 68 -9.813 -7.115 4.034 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.211 -7.698 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.986 -6.880 1.023 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.196 -7.927 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.415 -6.161 1.802 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.848 -4.453 3.333 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.215 -3.141 3.400 1.00 0.00 C ATOM 1004 C PHE A 69 -6.160 -3.102 4.501 1.00 0.00 C ATOM 1005 O PHE A 69 -5.047 -2.618 4.293 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.266 -2.057 3.647 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.712 -0.662 3.596 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.088 -0.191 2.452 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.814 0.179 4.693 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.577 1.092 2.402 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.305 1.463 4.648 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.685 1.920 3.502 1.00 0.00 C ATOM 0 H PHE A 69 -8.867 -4.432 3.371 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.725 -2.952 2.445 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.057 -2.153 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.724 -2.222 4.622 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.000 -0.834 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.297 -0.173 5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.094 1.447 1.504 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.392 2.109 5.509 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.285 2.923 3.466 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.517 -3.614 5.674 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.603 -3.640 6.809 1.00 0.00 C ATOM 1024 C LYS A 70 -4.304 -4.353 6.446 1.00 0.00 C ATOM 1025 O LYS A 70 -3.214 -3.870 6.749 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.260 -4.332 8.005 1.00 0.00 C ATOM 1027 CG LYS A 70 -7.021 -3.383 8.914 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.472 -3.243 8.486 1.00 0.00 C ATOM 1029 CE LYS A 70 -9.369 -2.891 9.662 1.00 0.00 C ATOM 1030 NZ LYS A 70 -9.396 -1.424 9.919 1.00 0.00 N ATOM 0 H LYS A 70 -7.435 -4.017 5.863 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.369 -2.610 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.944 -5.099 7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.492 -4.841 8.587 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.977 -3.748 9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.541 -2.404 8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.554 -2.471 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.811 -4.176 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.381 -3.244 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.018 -3.410 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.018 -1.225 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.434 -1.091 10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.755 -0.931 9.077 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.429 -5.504 5.793 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.266 -6.282 5.386 1.00 0.00 C ATOM 1046 C ALA A 71 -2.374 -5.482 4.441 1.00 0.00 C ATOM 1047 O ALA A 71 -1.166 -5.376 4.653 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.703 -7.582 4.727 1.00 0.00 C ATOM 0 H ALA A 71 -5.325 -5.918 5.535 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.687 -6.517 6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.823 -8.152 4.428 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.293 -8.167 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.307 -7.359 3.847 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.978 -4.922 3.398 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.239 -4.132 2.421 1.00 0.00 C ATOM 1056 C VAL A 72 -1.305 -3.142 3.108 1.00 0.00 C ATOM 1057 O VAL A 72 -0.121 -3.059 2.781 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.191 -3.359 1.488 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.402 -2.503 0.510 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.107 -4.322 0.747 1.00 0.00 C ATOM 0 H VAL A 72 -3.977 -5.001 3.208 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.650 -4.832 1.828 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.810 -2.698 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.091 -1.965 -0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.791 -1.789 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.757 -3.141 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.773 -3.760 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.507 -5.009 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.698 -4.888 1.467 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.845 -2.392 4.063 1.00 0.00 N ATOM 1071 CA VAL A 73 -1.060 -1.408 4.799 1.00 0.00 C ATOM 1072 C VAL A 73 0.103 -2.069 5.530 1.00 0.00 C ATOM 1073 O VAL A 73 1.258 -1.682 5.356 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.927 -0.647 5.819 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -1.076 0.322 6.626 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -3.060 0.084 5.115 1.00 0.00 C ATOM 0 H VAL A 73 -2.824 -2.447 4.345 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.671 -0.701 4.066 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.364 -1.369 6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.706 0.851 7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.304 -0.231 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.608 1.041 5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.662 0.616 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.646 0.796 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.685 -0.636 4.587 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.210 -3.068 6.347 1.00 0.00 N ATOM 1087 CA ASN A 74 0.810 -3.784 7.105 1.00 0.00 C ATOM 1088 C ASN A 74 1.901 -4.318 6.181 1.00 0.00 C ATOM 1089 O ASN A 74 3.035 -4.536 6.605 1.00 0.00 O ATOM 1090 CB ASN A 74 0.179 -4.938 7.887 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.292 -4.513 9.265 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.476 -3.961 10.052 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.560 -4.771 9.562 1.00 0.00 N ATOM 0 H ASN A 74 -1.162 -3.401 6.502 1.00 0.00 H new ATOM 0 HA ASN A 74 1.263 -3.084 7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.665 -5.336 7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.905 -5.745 7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.934 -4.509 10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.161 -5.231 8.878 1.00 0.00 H new ATOM 1100 N ALA A 75 1.548 -4.525 4.917 1.00 0.00 N ATOM 1101 CA ALA A 75 2.496 -5.030 3.932 1.00 0.00 C ATOM 1102 C ALA A 75 3.311 -3.895 3.322 1.00 0.00 C ATOM 1103 O ALA A 75 4.538 -3.966 3.251 1.00 0.00 O ATOM 1104 CB ALA A 75 1.766 -5.802 2.844 1.00 0.00 C ATOM 0 H ALA A 75 0.612 -4.351 4.551 1.00 0.00 H new ATOM 0 HA ALA A 75 3.185 -5.704 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.487 -6.173 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.234 -6.643 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.053 -5.144 2.347 1.00 0.00 H new ATOM 1110 N ARG A 76 2.621 -2.848 2.881 1.00 0.00 N ATOM 1111 CA ARG A 76 3.281 -1.698 2.275 1.00 0.00 C ATOM 1112 C ARG A 76 4.139 -0.961 3.299 1.00 0.00 C ATOM 1113 O ARG A 76 5.360 -0.876 3.157 1.00 0.00 O ATOM 1114 CB ARG A 76 2.244 -0.743 1.680 1.00 0.00 C ATOM 1115 CG ARG A 76 2.816 0.611 1.292 1.00 0.00 C ATOM 1116 CD ARG A 76 1.784 1.717 1.449 1.00 0.00 C ATOM 1117 NE ARG A 76 1.899 2.395 2.737 1.00 0.00 N ATOM 1118 CZ ARG A 76 1.475 3.635 2.955 1.00 0.00 C ATOM 1119 NH1 ARG A 76 0.912 4.329 1.976 1.00 0.00 N ATOM 1120 NH2 ARG A 76 1.615 4.183 4.156 1.00 0.00 N ATOM 0 H ARG A 76 1.605 -2.773 2.932 1.00 0.00 H new ATOM 0 HA ARG A 76 3.930 -2.061 1.478 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.799 -1.206 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.441 -0.596 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.685 0.832 1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.162 0.579 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.906 2.443 0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.784 1.296 1.349 1.00 0.00 H new ATOM 0 HE ARG A 76 2.328 1.889 3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.803 3.911 1.052 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.588 5.281 2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.048 3.652 4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.289 5.135 4.323 1.00 0.00 H new ATOM 1134 N THR A 77 3.493 -0.428 4.331 1.00 0.00 N ATOM 1135 CA THR A 77 4.195 0.303 5.378 1.00 0.00 C ATOM 1136 C THR A 77 5.464 -0.428 5.802 1.00 0.00 C ATOM 1137 O THR A 77 6.524 0.181 5.944 1.00 0.00 O ATOM 1138 CB THR A 77 3.300 0.513 6.614 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.102 1.203 6.240 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.034 1.307 7.685 1.00 0.00 C ATOM 0 H THR A 77 2.484 -0.489 4.464 1.00 0.00 H new ATOM 0 HA THR A 77 4.460 1.275 4.962 1.00 0.00 H new ATOM 0 HB THR A 77 3.044 -0.466 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.484 0.576 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.382 1.443 8.548 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.930 0.766 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.316 2.282 7.286 1.00 0.00 H new ATOM 1148 N ALA A 78 5.349 -1.736 6.003 1.00 0.00 N ATOM 1149 CA ALA A 78 6.488 -2.550 6.408 1.00 0.00 C ATOM 1150 C ALA A 78 7.565 -2.563 5.329 1.00 0.00 C ATOM 1151 O ALA A 78 8.743 -2.338 5.610 1.00 0.00 O ATOM 1152 CB ALA A 78 6.038 -3.969 6.723 1.00 0.00 C ATOM 0 H ALA A 78 4.478 -2.255 5.892 1.00 0.00 H new ATOM 0 HA ALA A 78 6.916 -2.108 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.899 -4.565 7.024 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.310 -3.948 7.534 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.582 -4.411 5.837 1.00 0.00 H new ATOM 1158 N LEU A 79 7.155 -2.828 4.093 1.00 0.00 N ATOM 1159 CA LEU A 79 8.086 -2.871 2.971 1.00 0.00 C ATOM 1160 C LEU A 79 8.826 -1.544 2.826 1.00 0.00 C ATOM 1161 O LEU A 79 10.047 -1.516 2.671 1.00 0.00 O ATOM 1162 CB LEU A 79 7.340 -3.196 1.676 1.00 0.00 C ATOM 1163 CG LEU A 79 6.821 -4.628 1.541 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.782 -4.718 0.434 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.971 -5.588 1.275 1.00 0.00 C ATOM 0 H LEU A 79 6.184 -3.016 3.843 1.00 0.00 H new ATOM 0 HA LEU A 79 8.818 -3.654 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.494 -2.514 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.004 -2.991 0.836 1.00 0.00 H new ATOM 0 HG LEU A 79 6.346 -4.912 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.425 -5.745 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.945 -4.060 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.231 -4.415 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.584 -6.603 1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.475 -5.305 0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.680 -5.545 2.102 1.00 0.00 H new ATOM 1177 N LEU A 80 8.078 -0.448 2.880 1.00 0.00 N ATOM 1178 CA LEU A 80 8.663 0.883 2.757 1.00 0.00 C ATOM 1179 C LEU A 80 9.676 1.138 3.868 1.00 0.00 C ATOM 1180 O LEU A 80 10.810 1.542 3.609 1.00 0.00 O ATOM 1181 CB LEU A 80 7.567 1.949 2.797 1.00 0.00 C ATOM 1182 CG LEU A 80 6.426 1.778 1.793 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.285 2.731 2.113 1.00 0.00 C ATOM 1184 CD2 LEU A 80 6.928 2.000 0.373 1.00 0.00 C ATOM 0 H LEU A 80 7.066 -0.454 3.008 1.00 0.00 H new ATOM 0 HA LEU A 80 9.180 0.938 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.142 1.966 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.028 2.922 2.630 1.00 0.00 H new ATOM 0 HG LEU A 80 6.050 0.758 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.483 2.595 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.908 2.524 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.645 3.759 2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.103 1.874 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.330 3.009 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.710 1.276 0.146 1.00 0.00 H new ATOM 1196 N LYS A 81 9.261 0.897 5.107 1.00 0.00 N ATOM 1197 CA LYS A 81 10.132 1.095 6.259 1.00 0.00 C ATOM 1198 C LYS A 81 11.521 0.520 5.997 1.00 0.00 C ATOM 1199 O LYS A 81 12.530 1.116 6.370 1.00 0.00 O ATOM 1200 CB LYS A 81 9.525 0.443 7.503 1.00 0.00 C ATOM 1201 CG LYS A 81 8.545 1.338 8.242 1.00 0.00 C ATOM 1202 CD LYS A 81 8.168 0.756 9.594 1.00 0.00 C ATOM 1203 CE LYS A 81 6.920 -0.107 9.500 1.00 0.00 C ATOM 1204 NZ LYS A 81 6.933 -1.212 10.499 1.00 0.00 N ATOM 0 H LYS A 81 8.325 0.564 5.339 1.00 0.00 H new ATOM 0 HA LYS A 81 10.228 2.167 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.016 -0.475 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.328 0.159 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.986 2.325 8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.647 1.471 7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.996 0.160 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.000 1.565 10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.037 0.513 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.843 -0.526 8.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.065 -1.777 10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.762 -1.819 10.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.981 -0.812 11.458 1.00 0.00 H new ATOM 1218 N ASN A 82 11.563 -0.641 5.352 1.00 0.00 N ATOM 1219 CA ASN A 82 12.828 -1.297 5.040 1.00 0.00 C ATOM 1220 C ASN A 82 13.515 -0.618 3.859 1.00 0.00 C ATOM 1221 O ASN A 82 14.743 -0.556 3.794 1.00 0.00 O ATOM 1222 CB ASN A 82 12.596 -2.776 4.728 1.00 0.00 C ATOM 1223 CG ASN A 82 13.820 -3.625 5.010 1.00 0.00 C ATOM 1224 OD1 ASN A 82 14.353 -4.283 4.115 1.00 0.00 O ATOM 1225 ND2 ASN A 82 14.273 -3.615 6.258 1.00 0.00 N ATOM 0 H ASN A 82 10.736 -1.147 5.035 1.00 0.00 H new ATOM 0 HA ASN A 82 13.477 -1.214 5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.758 -3.143 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.316 -2.884 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.094 -4.167 6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.800 -3.055 6.968 1.00 0.00 H new ATOM 1232 N ILE A 83 12.714 -0.109 2.928 1.00 0.00 N ATOM 1233 CA ILE A 83 13.245 0.566 1.751 1.00 0.00 C ATOM 1234 C ILE A 83 13.802 1.940 2.110 1.00 0.00 C ATOM 1235 O ILE A 83 13.049 2.878 2.373 1.00 0.00 O ATOM 1236 CB ILE A 83 12.168 0.730 0.662 1.00 0.00 C ATOM 1237 CG1 ILE A 83 11.665 -0.639 0.202 1.00 0.00 C ATOM 1238 CG2 ILE A 83 12.720 1.520 -0.515 1.00 0.00 C ATOM 1239 CD1 ILE A 83 10.314 -0.590 -0.477 1.00 0.00 C ATOM 0 H ILE A 83 11.696 -0.152 2.967 1.00 0.00 H new ATOM 0 HA ILE A 83 14.049 -0.060 1.364 1.00 0.00 H new ATOM 0 HB ILE A 83 11.328 1.283 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.392 -1.072 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.605 -1.304 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.947 1.627 -1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 83 13.034 2.507 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.575 0.993 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.021 -1.596 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.574 -0.187 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.373 0.048 -1.359 1.00 0.00 H new ATOM 1251 N LYS A 84 15.126 2.052 2.118 1.00 0.00 N ATOM 1252 CA LYS A 84 15.786 3.311 2.441 1.00 0.00 C ATOM 1253 C LYS A 84 15.471 4.375 1.394 1.00 0.00 C ATOM 1254 O LYS A 84 15.622 4.143 0.195 1.00 0.00 O ATOM 1255 CB LYS A 84 17.300 3.107 2.537 1.00 0.00 C ATOM 1256 CG LYS A 84 17.734 2.349 3.779 1.00 0.00 C ATOM 1257 CD LYS A 84 17.983 3.289 4.947 1.00 0.00 C ATOM 1258 CE LYS A 84 18.295 2.521 6.223 1.00 0.00 C ATOM 1259 NZ LYS A 84 17.059 2.170 6.975 1.00 0.00 N ATOM 0 H LYS A 84 15.763 1.285 1.904 1.00 0.00 H new ATOM 0 HA LYS A 84 15.410 3.653 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 84 17.642 2.567 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 84 17.791 4.080 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 84 16.966 1.624 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.642 1.786 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.813 3.955 4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.106 3.917 5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.840 1.610 5.975 1.00 0.00 H new ATOM 0 HE3 LYS A 84 18.948 3.120 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.314 1.648 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.552 3.040 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.447 1.577 6.379 1.00 0.00 H new ATOM 1273 N SER A 85 15.033 5.542 1.856 1.00 0.00 N ATOM 1274 CA SER A 85 14.695 6.641 0.959 1.00 0.00 C ATOM 1275 C SER A 85 15.954 7.350 0.470 1.00 0.00 C ATOM 1276 O SER A 85 16.847 7.665 1.255 1.00 0.00 O ATOM 1277 CB SER A 85 13.775 7.639 1.666 1.00 0.00 C ATOM 1278 OG SER A 85 13.026 8.393 0.729 1.00 0.00 O ATOM 0 H SER A 85 14.904 5.751 2.846 1.00 0.00 H new ATOM 0 HA SER A 85 14.175 6.226 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.098 7.105 2.333 1.00 0.00 H new ATOM 0 HB3 SER A 85 14.369 8.310 2.286 1.00 0.00 H new ATOM 0 HG SER A 85 12.445 9.022 1.205 1.00 0.00 H new ATOM 1284 N GLY A 86 16.017 7.598 -0.835 1.00 0.00 N ATOM 1285 CA GLY A 86 17.169 8.268 -1.408 1.00 0.00 C ATOM 1286 C GLY A 86 18.456 7.499 -1.186 1.00 0.00 C ATOM 1287 O GLY A 86 18.478 6.460 -0.526 1.00 0.00 O ATOM 0 H GLY A 86 15.290 7.347 -1.505 1.00 0.00 H new ATOM 0 HA2 GLY A 86 17.011 8.405 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.263 9.262 -0.970 1.00 0.00 H new ATOM 1291 N PRO A 87 19.561 8.012 -1.748 1.00 0.00 N ATOM 1292 CA PRO A 87 20.879 7.381 -1.623 1.00 0.00 C ATOM 1293 C PRO A 87 21.435 7.478 -0.206 1.00 0.00 C ATOM 1294 O PRO A 87 21.731 8.569 0.282 1.00 0.00 O ATOM 1295 CB PRO A 87 21.749 8.182 -2.595 1.00 0.00 C ATOM 1296 CG PRO A 87 21.083 9.511 -2.693 1.00 0.00 C ATOM 1297 CD PRO A 87 19.609 9.247 -2.548 1.00 0.00 C ATOM 0 HA PRO A 87 20.843 6.314 -1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 87 22.770 8.277 -2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 87 21.806 7.695 -3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 87 21.438 10.184 -1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 87 21.302 9.988 -3.648 1.00 0.00 H new ATOM 0 HD2 PRO A 87 19.101 10.071 -2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.127 9.117 -3.517 1.00 0.00 H new ATOM 1305 N SER A 88 21.576 6.330 0.449 1.00 0.00 N ATOM 1306 CA SER A 88 22.095 6.286 1.811 1.00 0.00 C ATOM 1307 C SER A 88 23.605 6.067 1.811 1.00 0.00 C ATOM 1308 O SER A 88 24.164 5.521 0.860 1.00 0.00 O ATOM 1309 CB SER A 88 21.407 5.174 2.605 1.00 0.00 C ATOM 1310 OG SER A 88 21.412 5.460 3.993 1.00 0.00 O ATOM 0 H SER A 88 21.338 5.418 0.059 1.00 0.00 H new ATOM 0 HA SER A 88 21.885 7.245 2.285 1.00 0.00 H new ATOM 0 HB2 SER A 88 20.380 5.057 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 88 21.914 4.226 2.424 1.00 0.00 H new ATOM 0 HG SER A 88 20.965 4.735 4.478 1.00 0.00 H new ATOM 1316 N SER A 89 24.259 6.499 2.884 1.00 0.00 N ATOM 1317 CA SER A 89 25.705 6.355 3.008 1.00 0.00 C ATOM 1318 C SER A 89 26.075 5.713 4.341 1.00 0.00 C ATOM 1319 O SER A 89 25.345 5.832 5.324 1.00 0.00 O ATOM 1320 CB SER A 89 26.387 7.718 2.878 1.00 0.00 C ATOM 1321 OG SER A 89 27.748 7.574 2.509 1.00 0.00 O ATOM 0 H SER A 89 23.811 6.952 3.680 1.00 0.00 H new ATOM 0 HA SER A 89 26.051 5.705 2.204 1.00 0.00 H new ATOM 0 HB2 SER A 89 25.866 8.319 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 89 26.318 8.254 3.824 1.00 0.00 H new ATOM 0 HG SER A 89 28.161 8.459 2.431 1.00 0.00 H new ATOM 1327 N GLY A 90 27.216 5.030 4.366 1.00 0.00 N ATOM 1328 CA GLY A 90 27.664 4.379 5.583 1.00 0.00 C ATOM 1329 C GLY A 90 28.954 4.970 6.116 1.00 0.00 C ATOM 1330 O GLY A 90 29.120 5.125 7.326 1.00 0.00 O ATOM 0 H GLY A 90 27.838 4.916 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 90 26.888 4.464 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 90 27.807 3.316 5.391 1.00 0.00 H new TER 1334 GLY A 90