USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 753 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 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 49:sc= 0.0198 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 12 MET CE :methyl 160:sc= -0.112 (180deg=-0.776) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.455 X(o=-0.45,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 62:sc= 0.623 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 136:sc= 0.301 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.175 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.00035) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -115:sc= -0.499 (180deg=-3.46!) USER MOD Single : A 69 MET CE :methyl 178:sc= -1.65 (180deg=-1.8) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.358 3.138 10.958 1.00 0.00 N ATOM 2 CA GLY A 1 -21.327 4.507 11.438 1.00 0.00 C ATOM 3 C GLY A 1 -21.369 5.518 10.309 1.00 0.00 C ATOM 4 O GLY A 1 -22.445 5.934 9.880 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.327 2.486 11.767 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.233 2.979 10.418 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.536 2.967 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.174 4.675 12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.423 4.662 12.027 1.00 0.00 H new ATOM 8 N SER A 2 -20.195 5.916 9.829 1.00 0.00 N ATOM 9 CA SER A 2 -20.102 6.890 8.747 1.00 0.00 C ATOM 10 C SER A 2 -20.828 8.181 9.114 1.00 0.00 C ATOM 11 O SER A 2 -22.005 8.355 8.799 1.00 0.00 O ATOM 12 CB SER A 2 -20.690 6.310 7.459 1.00 0.00 C ATOM 13 OG SER A 2 -20.854 7.316 6.475 1.00 0.00 O ATOM 0 H SER A 2 -19.295 5.579 10.172 1.00 0.00 H new ATOM 0 HA SER A 2 -19.048 7.119 8.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.035 5.527 7.077 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.653 5.845 7.672 1.00 0.00 H new ATOM 0 HG SER A 2 -21.230 6.920 5.661 1.00 0.00 H new ATOM 19 N SER A 3 -20.117 9.081 9.784 1.00 0.00 N ATOM 20 CA SER A 3 -20.692 10.356 10.199 1.00 0.00 C ATOM 21 C SER A 3 -19.598 11.360 10.544 1.00 0.00 C ATOM 22 O SER A 3 -19.026 11.322 11.633 1.00 0.00 O ATOM 23 CB SER A 3 -21.614 10.155 11.403 1.00 0.00 C ATOM 24 OG SER A 3 -22.975 10.309 11.035 1.00 0.00 O ATOM 0 H SER A 3 -19.141 8.952 10.052 1.00 0.00 H new ATOM 0 HA SER A 3 -21.273 10.752 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.458 9.161 11.823 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.361 10.874 12.183 1.00 0.00 H new ATOM 0 HG SER A 3 -23.159 9.777 10.233 1.00 0.00 H new ATOM 30 N GLY A 4 -19.310 12.259 9.607 1.00 0.00 N ATOM 31 CA GLY A 4 -18.285 13.261 9.830 1.00 0.00 C ATOM 32 C GLY A 4 -17.054 13.033 8.974 1.00 0.00 C ATOM 33 O GLY A 4 -16.751 11.899 8.603 1.00 0.00 O ATOM 0 H GLY A 4 -19.769 12.311 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.694 14.248 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.998 13.255 10.882 1.00 0.00 H new ATOM 37 N SER A 5 -16.346 14.111 8.660 1.00 0.00 N ATOM 38 CA SER A 5 -15.144 14.025 7.837 1.00 0.00 C ATOM 39 C SER A 5 -13.894 13.962 8.709 1.00 0.00 C ATOM 40 O SER A 5 -13.049 13.082 8.541 1.00 0.00 O ATOM 41 CB SER A 5 -15.061 15.222 6.890 1.00 0.00 C ATOM 42 OG SER A 5 -13.864 15.191 6.133 1.00 0.00 O ATOM 0 H SER A 5 -16.583 15.056 8.963 1.00 0.00 H new ATOM 0 HA SER A 5 -15.201 13.110 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.920 15.219 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.108 16.148 7.464 1.00 0.00 H new ATOM 0 HG SER A 5 -13.836 15.966 5.534 1.00 0.00 H new ATOM 48 N SER A 6 -13.782 14.904 9.640 1.00 0.00 N ATOM 49 CA SER A 6 -12.633 14.960 10.536 1.00 0.00 C ATOM 50 C SER A 6 -11.336 15.117 9.747 1.00 0.00 C ATOM 51 O SER A 6 -10.635 14.140 9.485 1.00 0.00 O ATOM 52 CB SER A 6 -12.570 13.698 11.399 1.00 0.00 C ATOM 53 OG SER A 6 -13.840 13.391 11.947 1.00 0.00 O ATOM 0 H SER A 6 -14.473 15.639 9.793 1.00 0.00 H new ATOM 0 HA SER A 6 -12.751 15.828 11.184 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.218 12.860 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.848 13.839 12.203 1.00 0.00 H new ATOM 0 HG SER A 6 -13.773 12.580 12.493 1.00 0.00 H new ATOM 59 N GLY A 7 -11.024 16.354 9.373 1.00 0.00 N ATOM 60 CA GLY A 7 -9.812 16.616 8.618 1.00 0.00 C ATOM 61 C GLY A 7 -10.026 17.635 7.516 1.00 0.00 C ATOM 62 O GLY A 7 -11.126 18.164 7.354 1.00 0.00 O ATOM 0 H GLY A 7 -11.588 17.179 9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.036 16.974 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.450 15.685 8.183 1.00 0.00 H new ATOM 66 N ASP A 8 -8.972 17.914 6.757 1.00 0.00 N ATOM 67 CA ASP A 8 -9.048 18.877 5.664 1.00 0.00 C ATOM 68 C ASP A 8 -8.632 18.235 4.345 1.00 0.00 C ATOM 69 O ASP A 8 -7.918 17.233 4.311 1.00 0.00 O ATOM 70 CB ASP A 8 -8.160 20.086 5.960 1.00 0.00 C ATOM 71 CG ASP A 8 -8.958 21.294 6.410 1.00 0.00 C ATOM 72 OD1 ASP A 8 -9.775 21.151 7.343 1.00 0.00 O ATOM 73 OD2 ASP A 8 -8.766 22.382 5.828 1.00 0.00 O ATOM 0 H ASP A 8 -8.054 17.487 6.879 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.082 19.209 5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.438 19.822 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.591 20.342 5.067 1.00 0.00 H new ATOM 78 N PRO A 9 -9.090 18.824 3.230 1.00 0.00 N ATOM 79 CA PRO A 9 -8.778 18.327 1.886 1.00 0.00 C ATOM 80 C PRO A 9 -7.315 18.538 1.515 1.00 0.00 C ATOM 81 O PRO A 9 -6.722 17.725 0.807 1.00 0.00 O ATOM 82 CB PRO A 9 -9.687 19.162 0.980 1.00 0.00 C ATOM 83 CG PRO A 9 -9.934 20.416 1.744 1.00 0.00 C ATOM 84 CD PRO A 9 -9.946 20.022 3.195 1.00 0.00 C ATOM 0 HA PRO A 9 -8.939 17.252 1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.209 19.369 0.023 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.619 18.640 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.156 21.153 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.882 20.869 1.455 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.553 20.816 3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.955 19.805 3.544 1.00 0.00 H new ATOM 92 N GLU A 10 -6.739 19.635 1.997 1.00 0.00 N ATOM 93 CA GLU A 10 -5.345 19.952 1.714 1.00 0.00 C ATOM 94 C GLU A 10 -4.408 19.043 2.505 1.00 0.00 C ATOM 95 O GLU A 10 -3.338 18.668 2.025 1.00 0.00 O ATOM 96 CB GLU A 10 -5.053 21.417 2.047 1.00 0.00 C ATOM 97 CG GLU A 10 -5.652 22.398 1.054 1.00 0.00 C ATOM 98 CD GLU A 10 -4.669 22.809 -0.025 1.00 0.00 C ATOM 99 OE1 GLU A 10 -4.613 22.127 -1.069 1.00 0.00 O ATOM 100 OE2 GLU A 10 -3.956 23.816 0.176 1.00 0.00 O ATOM 0 H GLU A 10 -7.216 20.318 2.585 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.171 19.787 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.439 21.639 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.974 21.564 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.529 21.948 0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.993 23.286 1.587 1.00 0.00 H new ATOM 107 N VAL A 11 -4.819 18.694 3.720 1.00 0.00 N ATOM 108 CA VAL A 11 -4.019 17.829 4.578 1.00 0.00 C ATOM 109 C VAL A 11 -3.837 16.451 3.952 1.00 0.00 C ATOM 110 O VAL A 11 -2.718 15.949 3.845 1.00 0.00 O ATOM 111 CB VAL A 11 -4.660 17.669 5.968 1.00 0.00 C ATOM 112 CG1 VAL A 11 -3.808 16.769 6.850 1.00 0.00 C ATOM 113 CG2 VAL A 11 -4.866 19.028 6.620 1.00 0.00 C ATOM 0 H VAL A 11 -5.701 18.997 4.132 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.045 18.306 4.689 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.636 17.199 5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.278 16.668 7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.718 15.786 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.817 17.207 6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.320 18.895 7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.904 19.528 6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.522 19.635 5.996 1.00 0.00 H new ATOM 123 N MET A 12 -4.944 15.843 3.540 1.00 0.00 N ATOM 124 CA MET A 12 -4.907 14.522 2.923 1.00 0.00 C ATOM 125 C MET A 12 -4.148 14.561 1.600 1.00 0.00 C ATOM 126 O MET A 12 -3.522 13.578 1.205 1.00 0.00 O ATOM 127 CB MET A 12 -6.328 14.002 2.695 1.00 0.00 C ATOM 128 CG MET A 12 -6.900 13.250 3.885 1.00 0.00 C ATOM 129 SD MET A 12 -6.360 11.531 3.944 1.00 0.00 S ATOM 130 CE MET A 12 -5.176 11.592 5.286 1.00 0.00 C ATOM 0 H MET A 12 -5.878 16.244 3.622 1.00 0.00 H new ATOM 0 HA MET A 12 -4.385 13.846 3.601 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.980 14.843 2.460 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.330 13.345 1.826 1.00 0.00 H new ATOM 0 HG2 MET A 12 -6.602 13.752 4.805 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.989 13.284 3.842 1.00 0.00 H new ATOM 0 HE1 MET A 12 -5.021 10.588 5.680 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.229 11.988 4.918 1.00 0.00 H new ATOM 0 HE3 MET A 12 -5.556 12.238 6.078 1.00 0.00 H new ATOM 140 N ALA A 13 -4.210 15.702 0.921 1.00 0.00 N ATOM 141 CA ALA A 13 -3.526 15.868 -0.355 1.00 0.00 C ATOM 142 C ALA A 13 -2.024 16.033 -0.156 1.00 0.00 C ATOM 143 O ALA A 13 -1.231 15.728 -1.048 1.00 0.00 O ATOM 144 CB ALA A 13 -4.097 17.063 -1.106 1.00 0.00 C ATOM 0 H ALA A 13 -4.727 16.524 1.233 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.689 14.968 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.578 17.177 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.160 16.904 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.963 17.965 -0.510 1.00 0.00 H new ATOM 150 N LYS A 14 -1.637 16.520 1.018 1.00 0.00 N ATOM 151 CA LYS A 14 -0.229 16.726 1.335 1.00 0.00 C ATOM 152 C LYS A 14 0.548 15.417 1.239 1.00 0.00 C ATOM 153 O LYS A 14 1.461 15.286 0.424 1.00 0.00 O ATOM 154 CB LYS A 14 -0.083 17.316 2.741 1.00 0.00 C ATOM 155 CG LYS A 14 0.788 18.559 2.791 1.00 0.00 C ATOM 156 CD LYS A 14 2.263 18.212 2.679 1.00 0.00 C ATOM 157 CE LYS A 14 2.765 17.505 3.928 1.00 0.00 C ATOM 158 NZ LYS A 14 3.921 18.216 4.542 1.00 0.00 N ATOM 0 H LYS A 14 -2.280 16.780 1.766 1.00 0.00 H new ATOM 0 HA LYS A 14 0.183 17.426 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.072 17.560 3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.340 16.559 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.509 19.232 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.609 19.093 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.423 17.574 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.841 19.122 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.956 17.433 4.655 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.058 16.486 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.234 17.702 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.703 18.263 3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.635 19.180 4.807 1.00 0.00 H new ATOM 172 N VAL A 15 0.178 14.452 2.073 1.00 0.00 N ATOM 173 CA VAL A 15 0.839 13.151 2.079 1.00 0.00 C ATOM 174 C VAL A 15 0.842 12.530 0.686 1.00 0.00 C ATOM 175 O VAL A 15 -0.137 12.634 -0.055 1.00 0.00 O ATOM 176 CB VAL A 15 0.157 12.180 3.061 1.00 0.00 C ATOM 177 CG1 VAL A 15 -1.316 12.016 2.716 1.00 0.00 C ATOM 178 CG2 VAL A 15 0.866 10.834 3.057 1.00 0.00 C ATOM 0 H VAL A 15 -0.576 14.545 2.754 1.00 0.00 H new ATOM 0 HA VAL A 15 1.867 13.319 2.401 1.00 0.00 H new ATOM 0 HB VAL A 15 0.225 12.599 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.780 11.326 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.813 12.984 2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.411 11.620 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.371 10.160 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.830 10.407 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.905 10.969 3.357 1.00 0.00 H new ATOM 188 N LYS A 16 1.947 11.883 0.336 1.00 0.00 N ATOM 189 CA LYS A 16 2.080 11.242 -0.967 1.00 0.00 C ATOM 190 C LYS A 16 2.926 9.977 -0.868 1.00 0.00 C ATOM 191 O LYS A 16 3.553 9.560 -1.841 1.00 0.00 O ATOM 192 CB LYS A 16 2.706 12.210 -1.973 1.00 0.00 C ATOM 193 CG LYS A 16 4.021 12.809 -1.503 1.00 0.00 C ATOM 194 CD LYS A 16 4.474 13.941 -2.410 1.00 0.00 C ATOM 195 CE LYS A 16 5.895 13.723 -2.906 1.00 0.00 C ATOM 196 NZ LYS A 16 5.948 12.747 -4.030 1.00 0.00 N ATOM 0 H LYS A 16 2.765 11.788 0.937 1.00 0.00 H new ATOM 0 HA LYS A 16 1.083 10.965 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.871 11.686 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.001 13.016 -2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.909 13.180 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.787 12.034 -1.477 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.798 14.019 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.417 14.886 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.316 14.674 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.515 13.364 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.934 12.627 -4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.570 11.831 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.377 13.101 -4.824 1.00 0.00 H new ATOM 210 N VAL A 17 2.937 9.370 0.314 1.00 0.00 N ATOM 211 CA VAL A 17 3.704 8.150 0.540 1.00 0.00 C ATOM 212 C VAL A 17 2.834 7.059 1.154 1.00 0.00 C ATOM 213 O VAL A 17 2.249 7.245 2.222 1.00 0.00 O ATOM 214 CB VAL A 17 4.911 8.408 1.461 1.00 0.00 C ATOM 215 CG1 VAL A 17 5.752 7.149 1.607 1.00 0.00 C ATOM 216 CG2 VAL A 17 5.751 9.560 0.928 1.00 0.00 C ATOM 0 H VAL A 17 2.424 9.703 1.130 1.00 0.00 H new ATOM 0 HA VAL A 17 4.064 7.818 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 17 4.539 8.684 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.600 7.352 2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.144 6.353 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.116 6.839 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.600 9.729 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.114 9.315 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.142 10.463 0.881 1.00 0.00 H new ATOM 226 N LEU A 18 2.753 5.921 0.474 1.00 0.00 N ATOM 227 CA LEU A 18 1.955 4.798 0.952 1.00 0.00 C ATOM 228 C LEU A 18 2.779 3.893 1.863 1.00 0.00 C ATOM 229 O LEU A 18 3.876 3.466 1.503 1.00 0.00 O ATOM 230 CB LEU A 18 1.411 3.993 -0.229 1.00 0.00 C ATOM 231 CG LEU A 18 0.738 4.802 -1.339 1.00 0.00 C ATOM 232 CD1 LEU A 18 0.233 3.881 -2.439 1.00 0.00 C ATOM 233 CD2 LEU A 18 -0.404 5.635 -0.774 1.00 0.00 C ATOM 0 H LEU A 18 3.231 5.752 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 18 1.119 5.197 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.233 3.427 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.692 3.268 0.152 1.00 0.00 H new ATOM 0 HG LEU A 18 1.477 5.478 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.243 4.474 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.071 3.327 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.491 3.181 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.871 6.204 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.143 4.977 -0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.016 6.321 -0.021 1.00 0.00 H new ATOM 245 N PHE A 19 2.242 3.602 3.043 1.00 0.00 N ATOM 246 CA PHE A 19 2.926 2.747 4.005 1.00 0.00 C ATOM 247 C PHE A 19 2.444 1.304 3.888 1.00 0.00 C ATOM 248 O PHE A 19 1.391 0.944 4.416 1.00 0.00 O ATOM 249 CB PHE A 19 2.698 3.259 5.428 1.00 0.00 C ATOM 250 CG PHE A 19 3.732 2.785 6.410 1.00 0.00 C ATOM 251 CD1 PHE A 19 5.067 3.114 6.242 1.00 0.00 C ATOM 252 CD2 PHE A 19 3.368 2.009 7.498 1.00 0.00 C ATOM 253 CE1 PHE A 19 6.021 2.680 7.142 1.00 0.00 C ATOM 254 CE2 PHE A 19 4.317 1.573 8.402 1.00 0.00 C ATOM 255 CZ PHE A 19 5.645 1.907 8.224 1.00 0.00 C ATOM 0 H PHE A 19 1.334 3.946 3.356 1.00 0.00 H new ATOM 0 HA PHE A 19 3.993 2.775 3.784 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.692 4.349 5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.713 2.939 5.767 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.366 3.717 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.331 1.742 7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.059 2.944 7.000 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.020 0.971 9.248 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.388 1.565 8.929 1.00 0.00 H new ATOM 265 N VAL A 20 3.222 0.480 3.193 1.00 0.00 N ATOM 266 CA VAL A 20 2.876 -0.923 3.008 1.00 0.00 C ATOM 267 C VAL A 20 3.447 -1.784 4.129 1.00 0.00 C ATOM 268 O VAL A 20 4.662 -1.946 4.244 1.00 0.00 O ATOM 269 CB VAL A 20 3.390 -1.454 1.655 1.00 0.00 C ATOM 270 CG1 VAL A 20 2.858 -2.856 1.394 1.00 0.00 C ATOM 271 CG2 VAL A 20 3.001 -0.509 0.530 1.00 0.00 C ATOM 0 H VAL A 20 4.096 0.761 2.749 1.00 0.00 H new ATOM 0 HA VAL A 20 1.788 -0.985 3.026 1.00 0.00 H new ATOM 0 HB VAL A 20 4.478 -1.506 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.231 -3.214 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.193 -3.525 2.186 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.768 -2.834 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.372 -0.899 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.915 -0.422 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.436 0.473 0.713 1.00 0.00 H new ATOM 281 N ARG A 21 2.562 -2.334 4.954 1.00 0.00 N ATOM 282 CA ARG A 21 2.978 -3.178 6.069 1.00 0.00 C ATOM 283 C ARG A 21 2.781 -4.654 5.736 1.00 0.00 C ATOM 284 O ARG A 21 2.047 -4.999 4.812 1.00 0.00 O ATOM 285 CB ARG A 21 2.191 -2.819 7.329 1.00 0.00 C ATOM 286 CG ARG A 21 3.006 -2.059 8.362 1.00 0.00 C ATOM 287 CD ARG A 21 2.707 -2.540 9.773 1.00 0.00 C ATOM 288 NE ARG A 21 2.632 -1.434 10.724 1.00 0.00 N ATOM 289 CZ ARG A 21 2.644 -1.596 12.042 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.726 -2.812 12.564 1.00 0.00 N ATOM 291 NH2 ARG A 21 2.573 -0.540 12.843 1.00 0.00 N ATOM 0 H ARG A 21 1.553 -2.211 4.872 1.00 0.00 H new ATOM 0 HA ARG A 21 4.039 -3.002 6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.326 -2.218 7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.810 -3.734 7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.068 -2.183 8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.789 -0.994 8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.764 -3.086 9.777 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.482 -3.238 10.090 1.00 0.00 H new ATOM 0 HE ARG A 21 2.567 -0.485 10.356 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.780 -3.627 11.953 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.735 -2.933 13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.509 0.398 12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.582 -0.666 13.855 1.00 0.00 H new ATOM 305 N ASN A 22 3.445 -5.520 6.495 1.00 0.00 N ATOM 306 CA ASN A 22 3.343 -6.959 6.280 1.00 0.00 C ATOM 307 C ASN A 22 3.754 -7.327 4.858 1.00 0.00 C ATOM 308 O ASN A 22 2.908 -7.618 4.011 1.00 0.00 O ATOM 309 CB ASN A 22 1.915 -7.436 6.551 1.00 0.00 C ATOM 310 CG ASN A 22 1.501 -7.235 7.995 1.00 0.00 C ATOM 311 OD1 ASN A 22 2.086 -7.819 8.907 1.00 0.00 O ATOM 312 ND2 ASN A 22 0.487 -6.405 8.210 1.00 0.00 N ATOM 0 H ASN A 22 4.059 -5.251 7.264 1.00 0.00 H new ATOM 0 HA ASN A 22 4.022 -7.454 6.974 1.00 0.00 H new ATOM 0 HB2 ASN A 22 1.226 -6.898 5.900 1.00 0.00 H new ATOM 0 HB3 ASN A 22 1.834 -8.493 6.297 1.00 0.00 H new ATOM 0 HD21 ASN A 22 0.164 -6.230 9.162 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.031 -5.942 7.424 1.00 0.00 H new ATOM 319 N LEU A 23 5.057 -7.311 4.601 1.00 0.00 N ATOM 320 CA LEU A 23 5.581 -7.644 3.281 1.00 0.00 C ATOM 321 C LEU A 23 6.188 -9.043 3.273 1.00 0.00 C ATOM 322 O LEU A 23 6.229 -9.719 4.301 1.00 0.00 O ATOM 323 CB LEU A 23 6.633 -6.617 2.855 1.00 0.00 C ATOM 324 CG LEU A 23 6.103 -5.360 2.166 1.00 0.00 C ATOM 325 CD1 LEU A 23 5.014 -4.709 3.005 1.00 0.00 C ATOM 326 CD2 LEU A 23 7.235 -4.378 1.904 1.00 0.00 C ATOM 0 H LEU A 23 5.770 -7.071 5.289 1.00 0.00 H new ATOM 0 HA LEU A 23 4.753 -7.623 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.194 -6.313 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.338 -7.106 2.182 1.00 0.00 H new ATOM 0 HG LEU A 23 5.670 -5.650 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.649 -3.816 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.191 -5.411 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.420 -4.433 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.839 -3.489 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.697 -4.095 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.981 -4.846 1.261 1.00 0.00 H new ATOM 338 N ALA A 24 6.659 -9.472 2.107 1.00 0.00 N ATOM 339 CA ALA A 24 7.268 -10.789 1.965 1.00 0.00 C ATOM 340 C ALA A 24 8.789 -10.698 2.011 1.00 0.00 C ATOM 341 O ALA A 24 9.377 -9.711 1.568 1.00 0.00 O ATOM 342 CB ALA A 24 6.814 -11.443 0.668 1.00 0.00 C ATOM 0 H ALA A 24 6.631 -8.926 1.246 1.00 0.00 H new ATOM 0 HA ALA A 24 6.942 -11.406 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.276 -12.426 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.729 -11.551 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.111 -10.821 -0.176 1.00 0.00 H new ATOM 348 N THR A 25 9.423 -11.735 2.550 1.00 0.00 N ATOM 349 CA THR A 25 10.876 -11.773 2.656 1.00 0.00 C ATOM 350 C THR A 25 11.506 -12.307 1.375 1.00 0.00 C ATOM 351 O THR A 25 12.661 -12.008 1.067 1.00 0.00 O ATOM 352 CB THR A 25 11.331 -12.644 3.841 1.00 0.00 C ATOM 353 OG1 THR A 25 10.387 -12.546 4.913 1.00 0.00 O ATOM 354 CG2 THR A 25 12.707 -12.218 4.329 1.00 0.00 C ATOM 0 H THR A 25 8.952 -12.560 2.920 1.00 0.00 H new ATOM 0 HA THR A 25 11.208 -10.748 2.821 1.00 0.00 H new ATOM 0 HB THR A 25 11.388 -13.678 3.502 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.683 -13.104 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.007 -12.848 5.167 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.429 -12.323 3.519 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.673 -11.177 4.652 1.00 0.00 H new ATOM 362 N THR A 26 10.742 -13.097 0.629 1.00 0.00 N ATOM 363 CA THR A 26 11.226 -13.674 -0.619 1.00 0.00 C ATOM 364 C THR A 26 11.163 -12.657 -1.754 1.00 0.00 C ATOM 365 O THR A 26 11.968 -12.702 -2.685 1.00 0.00 O ATOM 366 CB THR A 26 10.412 -14.920 -1.015 1.00 0.00 C ATOM 367 OG1 THR A 26 9.052 -14.556 -1.270 1.00 0.00 O ATOM 368 CG2 THR A 26 10.464 -15.972 0.083 1.00 0.00 C ATOM 0 H THR A 26 9.784 -13.353 0.867 1.00 0.00 H new ATOM 0 HA THR A 26 12.263 -13.966 -0.452 1.00 0.00 H new ATOM 0 HB THR A 26 10.850 -15.341 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.542 -15.354 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.882 -16.843 -0.219 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.499 -16.269 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.048 -15.559 1.002 1.00 0.00 H new ATOM 376 N VAL A 27 10.202 -11.744 -1.671 1.00 0.00 N ATOM 377 CA VAL A 27 10.036 -10.715 -2.691 1.00 0.00 C ATOM 378 C VAL A 27 11.208 -9.740 -2.683 1.00 0.00 C ATOM 379 O VAL A 27 11.953 -9.653 -1.707 1.00 0.00 O ATOM 380 CB VAL A 27 8.728 -9.929 -2.487 1.00 0.00 C ATOM 381 CG1 VAL A 27 7.535 -10.873 -2.463 1.00 0.00 C ATOM 382 CG2 VAL A 27 8.793 -9.107 -1.208 1.00 0.00 C ATOM 0 H VAL A 27 9.526 -11.695 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 27 9.998 -11.226 -3.653 1.00 0.00 H new ATOM 0 HB VAL A 27 8.603 -9.244 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.620 -10.299 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.479 -11.413 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.650 -11.585 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.860 -8.558 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.943 -9.770 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.623 -8.403 -1.270 1.00 0.00 H new ATOM 392 N THR A 28 11.366 -9.004 -3.780 1.00 0.00 N ATOM 393 CA THR A 28 12.447 -8.035 -3.901 1.00 0.00 C ATOM 394 C THR A 28 11.917 -6.670 -4.328 1.00 0.00 C ATOM 395 O THR A 28 10.777 -6.550 -4.772 1.00 0.00 O ATOM 396 CB THR A 28 13.509 -8.501 -4.915 1.00 0.00 C ATOM 397 OG1 THR A 28 14.588 -7.562 -4.961 1.00 0.00 O ATOM 398 CG2 THR A 28 12.902 -8.653 -6.302 1.00 0.00 C ATOM 0 H THR A 28 10.758 -9.062 -4.597 1.00 0.00 H new ATOM 0 HA THR A 28 12.908 -7.951 -2.917 1.00 0.00 H new ATOM 0 HB THR A 28 13.887 -9.471 -4.592 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.259 -7.867 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.670 -8.983 -7.001 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.100 -9.391 -6.269 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.500 -7.694 -6.630 1.00 0.00 H new ATOM 406 N GLU A 29 12.753 -5.647 -4.192 1.00 0.00 N ATOM 407 CA GLU A 29 12.367 -4.290 -4.563 1.00 0.00 C ATOM 408 C GLU A 29 11.841 -4.248 -5.995 1.00 0.00 C ATOM 409 O GLU A 29 10.998 -3.418 -6.332 1.00 0.00 O ATOM 410 CB GLU A 29 13.557 -3.340 -4.418 1.00 0.00 C ATOM 411 CG GLU A 29 13.946 -3.067 -2.975 1.00 0.00 C ATOM 412 CD GLU A 29 15.448 -2.994 -2.778 1.00 0.00 C ATOM 413 OE1 GLU A 29 16.109 -2.247 -3.531 1.00 0.00 O ATOM 414 OE2 GLU A 29 15.962 -3.683 -1.872 1.00 0.00 O ATOM 0 H GLU A 29 13.702 -5.731 -3.828 1.00 0.00 H new ATOM 0 HA GLU A 29 11.571 -3.969 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.414 -3.762 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.318 -2.395 -4.906 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.495 -2.128 -2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.538 -3.852 -2.338 1.00 0.00 H new ATOM 421 N GLU A 30 12.346 -5.150 -6.832 1.00 0.00 N ATOM 422 CA GLU A 30 11.929 -5.214 -8.228 1.00 0.00 C ATOM 423 C GLU A 30 10.448 -5.566 -8.336 1.00 0.00 C ATOM 424 O GLU A 30 9.692 -4.906 -9.049 1.00 0.00 O ATOM 425 CB GLU A 30 12.767 -6.244 -8.987 1.00 0.00 C ATOM 426 CG GLU A 30 13.630 -5.638 -10.082 1.00 0.00 C ATOM 427 CD GLU A 30 14.315 -6.690 -10.933 1.00 0.00 C ATOM 428 OE1 GLU A 30 13.616 -7.589 -11.443 1.00 0.00 O ATOM 429 OE2 GLU A 30 15.552 -6.611 -11.089 1.00 0.00 O ATOM 0 H GLU A 30 13.044 -5.846 -6.568 1.00 0.00 H new ATOM 0 HA GLU A 30 12.085 -4.232 -8.674 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.408 -6.771 -8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.102 -6.987 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.011 -5.006 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.384 -4.993 -9.630 1.00 0.00 H new ATOM 436 N ILE A 31 10.042 -6.613 -7.625 1.00 0.00 N ATOM 437 CA ILE A 31 8.652 -7.054 -7.640 1.00 0.00 C ATOM 438 C ILE A 31 7.720 -5.952 -7.149 1.00 0.00 C ATOM 439 O ILE A 31 6.769 -5.576 -7.835 1.00 0.00 O ATOM 440 CB ILE A 31 8.450 -8.308 -6.770 1.00 0.00 C ATOM 441 CG1 ILE A 31 9.357 -9.442 -7.253 1.00 0.00 C ATOM 442 CG2 ILE A 31 6.992 -8.742 -6.797 1.00 0.00 C ATOM 443 CD1 ILE A 31 9.497 -10.571 -6.256 1.00 0.00 C ATOM 0 H ILE A 31 10.655 -7.172 -7.032 1.00 0.00 H new ATOM 0 HA ILE A 31 8.409 -7.297 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 31 8.718 -8.066 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.961 -9.840 -8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.345 -9.037 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.865 -9.630 -6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.366 -7.938 -6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.699 -8.970 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.154 -11.339 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.922 -10.187 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.516 -11.002 -6.054 1.00 0.00 H new ATOM 455 N LEU A 32 8.000 -5.437 -5.956 1.00 0.00 N ATOM 456 CA LEU A 32 7.187 -4.376 -5.371 1.00 0.00 C ATOM 457 C LEU A 32 7.099 -3.177 -6.311 1.00 0.00 C ATOM 458 O LEU A 32 6.058 -2.528 -6.408 1.00 0.00 O ATOM 459 CB LEU A 32 7.772 -3.942 -4.026 1.00 0.00 C ATOM 460 CG LEU A 32 7.757 -4.993 -2.917 1.00 0.00 C ATOM 461 CD1 LEU A 32 9.063 -4.968 -2.139 1.00 0.00 C ATOM 462 CD2 LEU A 32 6.575 -4.769 -1.985 1.00 0.00 C ATOM 0 H LEU A 32 8.783 -5.737 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 32 6.181 -4.766 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.803 -3.626 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.221 -3.068 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 32 7.651 -5.976 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.033 -5.723 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.893 -5.179 -2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.201 -3.984 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.581 -5.527 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.650 -3.780 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.646 -4.840 -2.552 1.00 0.00 H new ATOM 474 N GLU A 33 8.198 -2.891 -7.003 1.00 0.00 N ATOM 475 CA GLU A 33 8.242 -1.772 -7.936 1.00 0.00 C ATOM 476 C GLU A 33 7.330 -2.023 -9.131 1.00 0.00 C ATOM 477 O GLU A 33 6.845 -1.086 -9.765 1.00 0.00 O ATOM 478 CB GLU A 33 9.676 -1.537 -8.415 1.00 0.00 C ATOM 479 CG GLU A 33 10.446 -0.540 -7.565 1.00 0.00 C ATOM 480 CD GLU A 33 11.932 -0.540 -7.869 1.00 0.00 C ATOM 481 OE1 GLU A 33 12.357 -1.312 -8.754 1.00 0.00 O ATOM 482 OE2 GLU A 33 12.671 0.230 -7.220 1.00 0.00 O ATOM 0 H GLU A 33 9.068 -3.418 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 33 7.889 -0.882 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.209 -2.488 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.652 -1.182 -9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.045 0.460 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.294 -0.773 -6.511 1.00 0.00 H new ATOM 489 N LYS A 34 7.099 -3.296 -9.435 1.00 0.00 N ATOM 490 CA LYS A 34 6.244 -3.673 -10.554 1.00 0.00 C ATOM 491 C LYS A 34 4.798 -3.850 -10.099 1.00 0.00 C ATOM 492 O LYS A 34 3.866 -3.695 -10.889 1.00 0.00 O ATOM 493 CB LYS A 34 6.749 -4.968 -11.195 1.00 0.00 C ATOM 494 CG LYS A 34 7.280 -4.782 -12.605 1.00 0.00 C ATOM 495 CD LYS A 34 8.490 -5.665 -12.866 1.00 0.00 C ATOM 496 CE LYS A 34 8.672 -5.934 -14.352 1.00 0.00 C ATOM 497 NZ LYS A 34 10.109 -6.077 -14.718 1.00 0.00 N ATOM 0 H LYS A 34 7.493 -4.084 -8.921 1.00 0.00 H new ATOM 0 HA LYS A 34 6.279 -2.871 -11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.538 -5.389 -10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.937 -5.695 -11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.495 -5.016 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.551 -3.737 -12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.385 -5.185 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.374 -6.610 -12.335 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.136 -6.843 -14.625 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.231 -5.119 -14.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.191 -6.259 -15.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.616 -5.201 -14.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.524 -6.871 -14.190 1.00 0.00 H new ATOM 511 N SER A 35 4.620 -4.172 -8.822 1.00 0.00 N ATOM 512 CA SER A 35 3.287 -4.370 -8.263 1.00 0.00 C ATOM 513 C SER A 35 2.515 -3.057 -8.221 1.00 0.00 C ATOM 514 O SER A 35 1.295 -3.034 -8.390 1.00 0.00 O ATOM 515 CB SER A 35 3.385 -4.963 -6.855 1.00 0.00 C ATOM 516 OG SER A 35 4.417 -5.932 -6.780 1.00 0.00 O ATOM 0 H SER A 35 5.381 -4.301 -8.155 1.00 0.00 H new ATOM 0 HA SER A 35 2.749 -5.066 -8.907 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.576 -4.168 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.433 -5.419 -6.582 1.00 0.00 H new ATOM 0 HG SER A 35 5.279 -5.508 -6.975 1.00 0.00 H new ATOM 522 N PHE A 36 3.233 -1.961 -7.993 1.00 0.00 N ATOM 523 CA PHE A 36 2.616 -0.642 -7.928 1.00 0.00 C ATOM 524 C PHE A 36 2.684 0.058 -9.281 1.00 0.00 C ATOM 525 O PHE A 36 1.774 0.798 -9.656 1.00 0.00 O ATOM 526 CB PHE A 36 3.304 0.214 -6.863 1.00 0.00 C ATOM 527 CG PHE A 36 2.908 -0.143 -5.458 1.00 0.00 C ATOM 528 CD1 PHE A 36 1.704 0.296 -4.932 1.00 0.00 C ATOM 529 CD2 PHE A 36 3.739 -0.916 -4.665 1.00 0.00 C ATOM 530 CE1 PHE A 36 1.335 -0.030 -3.640 1.00 0.00 C ATOM 531 CE2 PHE A 36 3.376 -1.246 -3.372 1.00 0.00 C ATOM 532 CZ PHE A 36 2.173 -0.801 -2.859 1.00 0.00 C ATOM 0 H PHE A 36 4.243 -1.961 -7.850 1.00 0.00 H new ATOM 0 HA PHE A 36 1.568 -0.772 -7.659 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.384 0.108 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.068 1.263 -7.043 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.046 0.900 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.681 -1.265 -5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.393 0.318 -3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.032 -1.851 -2.764 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.888 -1.056 -1.849 1.00 0.00 H new ATOM 542 N SER A 37 3.770 -0.179 -10.010 1.00 0.00 N ATOM 543 CA SER A 37 3.960 0.431 -11.320 1.00 0.00 C ATOM 544 C SER A 37 2.766 0.153 -12.228 1.00 0.00 C ATOM 545 O SER A 37 2.463 0.935 -13.128 1.00 0.00 O ATOM 546 CB SER A 37 5.242 -0.093 -11.970 1.00 0.00 C ATOM 547 OG SER A 37 5.139 -0.083 -13.383 1.00 0.00 O ATOM 0 H SER A 37 4.532 -0.790 -9.715 1.00 0.00 H new ATOM 0 HA SER A 37 4.046 1.509 -11.181 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.088 0.521 -11.660 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.440 -1.107 -11.624 1.00 0.00 H new ATOM 0 HG SER A 37 5.972 -0.421 -13.774 1.00 0.00 H new ATOM 553 N GLU A 38 2.094 -0.968 -11.984 1.00 0.00 N ATOM 554 CA GLU A 38 0.934 -1.350 -12.781 1.00 0.00 C ATOM 555 C GLU A 38 -0.173 -0.307 -12.664 1.00 0.00 C ATOM 556 O GLU A 38 -0.999 -0.159 -13.566 1.00 0.00 O ATOM 557 CB GLU A 38 0.410 -2.717 -12.334 1.00 0.00 C ATOM 558 CG GLU A 38 -0.300 -2.689 -10.991 1.00 0.00 C ATOM 559 CD GLU A 38 -0.479 -4.071 -10.396 1.00 0.00 C ATOM 560 OE1 GLU A 38 0.525 -4.807 -10.293 1.00 0.00 O ATOM 561 OE2 GLU A 38 -1.624 -4.418 -10.033 1.00 0.00 O ATOM 0 H GLU A 38 2.332 -1.626 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 38 1.245 -1.410 -13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.276 -3.098 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.244 -3.416 -12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.268 -2.070 -10.297 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.277 -2.220 -11.111 1.00 0.00 H new ATOM 568 N PHE A 39 -0.184 0.416 -11.549 1.00 0.00 N ATOM 569 CA PHE A 39 -1.190 1.445 -11.314 1.00 0.00 C ATOM 570 C PHE A 39 -0.737 2.788 -11.879 1.00 0.00 C ATOM 571 O PHE A 39 -1.470 3.439 -12.623 1.00 0.00 O ATOM 572 CB PHE A 39 -1.472 1.579 -9.816 1.00 0.00 C ATOM 573 CG PHE A 39 -2.313 0.464 -9.262 1.00 0.00 C ATOM 574 CD1 PHE A 39 -3.696 0.552 -9.266 1.00 0.00 C ATOM 575 CD2 PHE A 39 -1.720 -0.674 -8.738 1.00 0.00 C ATOM 576 CE1 PHE A 39 -4.471 -0.471 -8.757 1.00 0.00 C ATOM 577 CE2 PHE A 39 -2.491 -1.701 -8.228 1.00 0.00 C ATOM 578 CZ PHE A 39 -3.868 -1.599 -8.237 1.00 0.00 C ATOM 0 H PHE A 39 0.493 0.308 -10.794 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.105 1.146 -11.824 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.525 1.611 -9.278 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.975 2.528 -9.633 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.173 1.431 -9.672 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.643 -0.759 -8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.548 -0.389 -8.766 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.017 -2.583 -7.823 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.472 -2.400 -7.838 1.00 0.00 H new ATOM 588 N GLY A 40 0.477 3.195 -11.520 1.00 0.00 N ATOM 589 CA GLY A 40 1.008 4.458 -12.000 1.00 0.00 C ATOM 590 C GLY A 40 2.517 4.529 -11.894 1.00 0.00 C ATOM 591 O GLY A 40 3.126 3.823 -11.091 1.00 0.00 O ATOM 0 H GLY A 40 1.102 2.673 -10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.713 4.601 -13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.568 5.275 -11.428 1.00 0.00 H new ATOM 595 N LYS A 41 3.126 5.385 -12.709 1.00 0.00 N ATOM 596 CA LYS A 41 4.575 5.547 -12.705 1.00 0.00 C ATOM 597 C LYS A 41 5.089 5.811 -11.292 1.00 0.00 C ATOM 598 O LYS A 41 4.806 6.854 -10.702 1.00 0.00 O ATOM 599 CB LYS A 41 4.983 6.696 -13.629 1.00 0.00 C ATOM 600 CG LYS A 41 5.801 6.250 -14.829 1.00 0.00 C ATOM 601 CD LYS A 41 7.277 6.556 -14.642 1.00 0.00 C ATOM 602 CE LYS A 41 8.152 5.570 -15.402 1.00 0.00 C ATOM 603 NZ LYS A 41 8.358 5.988 -16.816 1.00 0.00 N ATOM 0 H LYS A 41 2.638 5.977 -13.381 1.00 0.00 H new ATOM 0 HA LYS A 41 5.020 4.621 -13.068 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.085 7.205 -13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.559 7.424 -13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.667 5.179 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.436 6.750 -15.726 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.486 7.569 -14.986 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.525 6.522 -13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.118 5.483 -14.904 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.691 4.582 -15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.959 5.291 -17.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.438 6.047 -17.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.821 6.919 -16.839 1.00 0.00 H new ATOM 617 N LEU A 42 5.845 4.860 -10.756 1.00 0.00 N ATOM 618 CA LEU A 42 6.400 4.989 -9.413 1.00 0.00 C ATOM 619 C LEU A 42 7.557 5.982 -9.396 1.00 0.00 C ATOM 620 O LEU A 42 8.033 6.413 -10.446 1.00 0.00 O ATOM 621 CB LEU A 42 6.874 3.628 -8.903 1.00 0.00 C ATOM 622 CG LEU A 42 5.782 2.586 -8.657 1.00 0.00 C ATOM 623 CD1 LEU A 42 6.387 1.287 -8.148 1.00 0.00 C ATOM 624 CD2 LEU A 42 4.748 3.116 -7.674 1.00 0.00 C ATOM 0 H LEU A 42 6.088 3.991 -11.231 1.00 0.00 H new ATOM 0 HA LEU A 42 5.615 5.363 -8.756 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.583 3.219 -9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.419 3.781 -7.971 1.00 0.00 H new ATOM 0 HG LEU A 42 5.282 2.383 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.594 0.558 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.087 0.897 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.914 1.473 -7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.979 2.360 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.233 3.349 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.290 4.018 -8.079 1.00 0.00 H new ATOM 636 N GLU A 43 8.006 6.341 -8.197 1.00 0.00 N ATOM 637 CA GLU A 43 9.109 7.281 -8.044 1.00 0.00 C ATOM 638 C GLU A 43 10.352 6.580 -7.505 1.00 0.00 C ATOM 639 O GLU A 43 11.454 6.762 -8.023 1.00 0.00 O ATOM 640 CB GLU A 43 8.708 8.423 -7.107 1.00 0.00 C ATOM 641 CG GLU A 43 8.855 9.802 -7.730 1.00 0.00 C ATOM 642 CD GLU A 43 8.604 10.920 -6.738 1.00 0.00 C ATOM 643 OE1 GLU A 43 8.940 10.744 -5.548 1.00 0.00 O ATOM 644 OE2 GLU A 43 8.073 11.972 -7.151 1.00 0.00 O ATOM 0 H GLU A 43 7.622 5.995 -7.318 1.00 0.00 H new ATOM 0 HA GLU A 43 9.342 7.690 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.672 8.282 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.319 8.374 -6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.859 9.905 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.158 9.897 -8.562 1.00 0.00 H new ATOM 651 N ARG A 44 10.166 5.779 -6.461 1.00 0.00 N ATOM 652 CA ARG A 44 11.272 5.052 -5.850 1.00 0.00 C ATOM 653 C ARG A 44 10.784 4.196 -4.685 1.00 0.00 C ATOM 654 O ARG A 44 9.929 4.618 -3.907 1.00 0.00 O ATOM 655 CB ARG A 44 12.346 6.027 -5.364 1.00 0.00 C ATOM 656 CG ARG A 44 13.764 5.572 -5.667 1.00 0.00 C ATOM 657 CD ARG A 44 14.668 6.750 -5.996 1.00 0.00 C ATOM 658 NE ARG A 44 15.840 6.801 -5.126 1.00 0.00 N ATOM 659 CZ ARG A 44 16.849 5.941 -5.200 1.00 0.00 C ATOM 660 NH1 ARG A 44 16.829 4.968 -6.101 1.00 0.00 N ATOM 661 NH2 ARG A 44 17.881 6.052 -4.373 1.00 0.00 N ATOM 0 H ARG A 44 9.260 5.617 -6.021 1.00 0.00 H new ATOM 0 HA ARG A 44 11.702 4.395 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 44 12.179 6.999 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 44 12.240 6.164 -4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.165 5.032 -4.809 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.753 4.875 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.991 6.680 -7.035 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.104 7.678 -5.899 1.00 0.00 H new ATOM 0 HE ARG A 44 15.886 7.538 -4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.038 4.879 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.605 4.308 -6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.900 6.799 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 44 18.655 5.390 -4.432 1.00 0.00 H new ATOM 675 N VAL A 45 11.330 2.989 -4.574 1.00 0.00 N ATOM 676 CA VAL A 45 10.950 2.073 -3.504 1.00 0.00 C ATOM 677 C VAL A 45 12.158 1.681 -2.661 1.00 0.00 C ATOM 678 O VAL A 45 13.284 1.628 -3.156 1.00 0.00 O ATOM 679 CB VAL A 45 10.293 0.798 -4.066 1.00 0.00 C ATOM 680 CG1 VAL A 45 9.737 -0.057 -2.937 1.00 0.00 C ATOM 681 CG2 VAL A 45 9.201 1.156 -5.061 1.00 0.00 C ATOM 0 H VAL A 45 12.037 2.623 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 45 10.230 2.598 -2.877 1.00 0.00 H new ATOM 0 HB VAL A 45 11.053 0.218 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.277 -0.953 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.546 -0.343 -2.265 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.990 0.512 -2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.748 0.243 -5.448 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.439 1.757 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.632 1.725 -5.885 1.00 0.00 H new ATOM 691 N LYS A 46 11.917 1.406 -1.384 1.00 0.00 N ATOM 692 CA LYS A 46 12.984 1.017 -0.470 1.00 0.00 C ATOM 693 C LYS A 46 12.488 -0.015 0.537 1.00 0.00 C ATOM 694 O LYS A 46 11.390 0.110 1.080 1.00 0.00 O ATOM 695 CB LYS A 46 13.527 2.244 0.265 1.00 0.00 C ATOM 696 CG LYS A 46 15.008 2.152 0.591 1.00 0.00 C ATOM 697 CD LYS A 46 15.856 2.121 -0.670 1.00 0.00 C ATOM 698 CE LYS A 46 17.138 2.920 -0.499 1.00 0.00 C ATOM 699 NZ LYS A 46 17.907 3.013 -1.771 1.00 0.00 N ATOM 0 H LYS A 46 10.991 1.445 -0.958 1.00 0.00 H new ATOM 0 HA LYS A 46 13.786 0.569 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.352 3.130 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 46 12.968 2.380 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.300 3.003 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.197 1.254 1.180 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.100 1.089 -0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.283 2.524 -1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.897 3.923 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.758 2.453 0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.774 3.565 -1.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.159 2.057 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.325 3.481 -2.495 1.00 0.00 H new ATOM 713 N LYS A 47 13.304 -1.034 0.785 1.00 0.00 N ATOM 714 CA LYS A 47 12.950 -2.087 1.729 1.00 0.00 C ATOM 715 C LYS A 47 13.404 -1.726 3.141 1.00 0.00 C ATOM 716 O LYS A 47 14.578 -1.872 3.482 1.00 0.00 O ATOM 717 CB LYS A 47 13.579 -3.416 1.304 1.00 0.00 C ATOM 718 CG LYS A 47 12.720 -4.626 1.626 1.00 0.00 C ATOM 719 CD LYS A 47 12.744 -5.644 0.498 1.00 0.00 C ATOM 720 CE LYS A 47 11.836 -6.827 0.794 1.00 0.00 C ATOM 721 NZ LYS A 47 12.601 -8.099 0.901 1.00 0.00 N ATOM 0 H LYS A 47 14.216 -1.153 0.344 1.00 0.00 H new ATOM 0 HA LYS A 47 11.865 -2.190 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.770 -3.391 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.545 -3.525 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.076 -5.092 2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.694 -4.307 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.430 -5.167 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.764 -5.996 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.297 -6.648 1.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.089 -6.918 0.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.261 -8.640 1.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.465 -8.660 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.612 -7.887 1.021 1.00 0.00 H new ATOM 735 N LEU A 48 12.467 -1.257 3.957 1.00 0.00 N ATOM 736 CA LEU A 48 12.770 -0.878 5.332 1.00 0.00 C ATOM 737 C LEU A 48 11.859 -1.610 6.313 1.00 0.00 C ATOM 738 O LEU A 48 10.660 -1.342 6.381 1.00 0.00 O ATOM 739 CB LEU A 48 12.620 0.634 5.510 1.00 0.00 C ATOM 740 CG LEU A 48 13.788 1.487 5.014 1.00 0.00 C ATOM 741 CD1 LEU A 48 15.074 1.098 5.725 1.00 0.00 C ATOM 742 CD2 LEU A 48 13.948 1.347 3.506 1.00 0.00 C ATOM 0 H LEU A 48 11.491 -1.130 3.690 1.00 0.00 H new ATOM 0 HA LEU A 48 13.801 -1.162 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.717 0.953 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.468 0.842 6.569 1.00 0.00 H new ATOM 0 HG LEU A 48 13.572 2.531 5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.894 1.716 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.957 1.250 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.295 0.049 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.784 1.961 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.140 0.304 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.034 1.676 3.011 1.00 0.00 H new ATOM 754 N LYS A 49 12.438 -2.534 7.073 1.00 0.00 N ATOM 755 CA LYS A 49 11.680 -3.302 8.054 1.00 0.00 C ATOM 756 C LYS A 49 10.616 -4.156 7.371 1.00 0.00 C ATOM 757 O LYS A 49 10.669 -4.381 6.162 1.00 0.00 O ATOM 758 CB LYS A 49 11.023 -2.365 9.070 1.00 0.00 C ATOM 759 CG LYS A 49 11.954 -1.282 9.588 1.00 0.00 C ATOM 760 CD LYS A 49 11.969 -1.241 11.107 1.00 0.00 C ATOM 761 CE LYS A 49 13.209 -0.532 11.632 1.00 0.00 C ATOM 762 NZ LYS A 49 12.944 0.166 12.921 1.00 0.00 N ATOM 0 H LYS A 49 13.430 -2.769 7.028 1.00 0.00 H new ATOM 0 HA LYS A 49 12.373 -3.963 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.154 -1.896 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.659 -2.953 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.963 -1.461 9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.639 -0.313 9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.076 -0.730 11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.935 -2.257 11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.011 -1.257 11.770 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.555 0.190 10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.813 0.637 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.196 0.876 12.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.638 -0.526 13.634 1.00 0.00 H new ATOM 776 N ASP A 50 9.650 -4.625 8.153 1.00 0.00 N ATOM 777 CA ASP A 50 8.572 -5.451 7.623 1.00 0.00 C ATOM 778 C ASP A 50 7.761 -4.685 6.582 1.00 0.00 C ATOM 779 O ASP A 50 7.006 -5.276 5.809 1.00 0.00 O ATOM 780 CB ASP A 50 7.657 -5.922 8.755 1.00 0.00 C ATOM 781 CG ASP A 50 8.024 -7.303 9.260 1.00 0.00 C ATOM 782 OD1 ASP A 50 9.219 -7.659 9.198 1.00 0.00 O ATOM 783 OD2 ASP A 50 7.115 -8.028 9.716 1.00 0.00 O ATOM 0 H ASP A 50 9.592 -4.447 9.156 1.00 0.00 H new ATOM 0 HA ASP A 50 9.018 -6.321 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.709 -5.211 9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.625 -5.929 8.405 1.00 0.00 H new ATOM 788 N TYR A 51 7.920 -3.366 6.569 1.00 0.00 N ATOM 789 CA TYR A 51 7.201 -2.518 5.627 1.00 0.00 C ATOM 790 C TYR A 51 8.133 -2.006 4.534 1.00 0.00 C ATOM 791 O TYR A 51 9.300 -2.392 4.466 1.00 0.00 O ATOM 792 CB TYR A 51 6.557 -1.339 6.358 1.00 0.00 C ATOM 793 CG TYR A 51 7.518 -0.581 7.248 1.00 0.00 C ATOM 794 CD1 TYR A 51 8.373 0.378 6.723 1.00 0.00 C ATOM 795 CD2 TYR A 51 7.569 -0.828 8.615 1.00 0.00 C ATOM 796 CE1 TYR A 51 9.252 1.072 7.531 1.00 0.00 C ATOM 797 CE2 TYR A 51 8.443 -0.138 9.432 1.00 0.00 C ATOM 798 CZ TYR A 51 9.283 0.810 8.886 1.00 0.00 C ATOM 799 OH TYR A 51 10.158 1.499 9.696 1.00 0.00 O ATOM 0 H TYR A 51 8.541 -2.861 7.201 1.00 0.00 H new ATOM 0 HA TYR A 51 6.419 -3.118 5.161 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.137 -0.652 5.623 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.728 -1.706 6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.350 0.585 5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.914 -1.572 9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.911 1.815 7.106 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.469 -0.340 10.493 1.00 0.00 H new ATOM 0 HH TYR A 51 10.053 1.197 10.622 1.00 0.00 H new ATOM 809 N ALA A 52 7.609 -1.133 3.679 1.00 0.00 N ATOM 810 CA ALA A 52 8.394 -0.565 2.590 1.00 0.00 C ATOM 811 C ALA A 52 8.014 0.890 2.341 1.00 0.00 C ATOM 812 O ALA A 52 6.927 1.331 2.714 1.00 0.00 O ATOM 813 CB ALA A 52 8.209 -1.386 1.322 1.00 0.00 C ATOM 0 H ALA A 52 6.644 -0.804 3.720 1.00 0.00 H new ATOM 0 HA ALA A 52 9.445 -0.594 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.801 -0.950 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.537 -2.410 1.500 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.156 -1.386 1.039 1.00 0.00 H new ATOM 819 N PHE A 53 8.917 1.633 1.709 1.00 0.00 N ATOM 820 CA PHE A 53 8.676 3.040 1.411 1.00 0.00 C ATOM 821 C PHE A 53 8.684 3.287 -0.095 1.00 0.00 C ATOM 822 O PHE A 53 9.736 3.262 -0.734 1.00 0.00 O ATOM 823 CB PHE A 53 9.735 3.915 2.088 1.00 0.00 C ATOM 824 CG PHE A 53 9.462 4.167 3.544 1.00 0.00 C ATOM 825 CD1 PHE A 53 8.240 4.675 3.955 1.00 0.00 C ATOM 826 CD2 PHE A 53 10.426 3.896 4.501 1.00 0.00 C ATOM 827 CE1 PHE A 53 7.987 4.910 5.293 1.00 0.00 C ATOM 828 CE2 PHE A 53 10.178 4.127 5.841 1.00 0.00 C ATOM 829 CZ PHE A 53 8.957 4.634 6.237 1.00 0.00 C ATOM 0 H PHE A 53 9.822 1.284 1.393 1.00 0.00 H new ATOM 0 HA PHE A 53 7.692 3.304 1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 53 10.709 3.437 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.793 4.870 1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.477 4.890 3.221 1.00 0.00 H new ATOM 0 HD2 PHE A 53 11.383 3.499 4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.032 5.309 5.600 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.938 3.911 6.577 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.760 4.815 7.283 1.00 0.00 H new ATOM 839 N VAL A 54 7.503 3.524 -0.655 1.00 0.00 N ATOM 840 CA VAL A 54 7.372 3.777 -2.085 1.00 0.00 C ATOM 841 C VAL A 54 6.868 5.191 -2.351 1.00 0.00 C ATOM 842 O VAL A 54 6.020 5.706 -1.621 1.00 0.00 O ATOM 843 CB VAL A 54 6.414 2.769 -2.747 1.00 0.00 C ATOM 844 CG1 VAL A 54 6.288 3.051 -4.237 1.00 0.00 C ATOM 845 CG2 VAL A 54 6.890 1.344 -2.506 1.00 0.00 C ATOM 0 H VAL A 54 6.623 3.546 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 54 8.366 3.662 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 54 5.429 2.881 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.607 2.329 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.899 4.058 -4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.268 2.968 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.201 0.645 -2.981 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.886 1.216 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.924 1.148 -1.434 1.00 0.00 H new ATOM 855 N HIS A 55 7.396 5.814 -3.400 1.00 0.00 N ATOM 856 CA HIS A 55 6.998 7.169 -3.763 1.00 0.00 C ATOM 857 C HIS A 55 6.234 7.176 -5.083 1.00 0.00 C ATOM 858 O HIS A 55 6.437 6.310 -5.934 1.00 0.00 O ATOM 859 CB HIS A 55 8.226 8.073 -3.865 1.00 0.00 C ATOM 860 CG HIS A 55 8.789 8.473 -2.537 1.00 0.00 C ATOM 861 ND1 HIS A 55 8.665 9.744 -2.017 1.00 0.00 N ATOM 862 CD2 HIS A 55 9.482 7.759 -1.618 1.00 0.00 C ATOM 863 CE1 HIS A 55 9.258 9.796 -0.839 1.00 0.00 C ATOM 864 NE2 HIS A 55 9.761 8.604 -0.572 1.00 0.00 N ATOM 0 H HIS A 55 8.100 5.402 -4.013 1.00 0.00 H new ATOM 0 HA HIS A 55 6.340 7.550 -2.982 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.998 7.559 -4.437 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.960 8.971 -4.423 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.763 6.719 -1.694 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.321 10.666 -0.202 1.00 0.00 H new ATOM 0 HE2 HIS A 55 10.273 8.352 0.273 1.00 0.00 H new ATOM 872 N PHE A 56 5.356 8.160 -5.249 1.00 0.00 N ATOM 873 CA PHE A 56 4.560 8.278 -6.466 1.00 0.00 C ATOM 874 C PHE A 56 4.725 9.661 -7.090 1.00 0.00 C ATOM 875 O PHE A 56 5.029 10.632 -6.399 1.00 0.00 O ATOM 876 CB PHE A 56 3.084 8.016 -6.163 1.00 0.00 C ATOM 877 CG PHE A 56 2.746 6.557 -6.047 1.00 0.00 C ATOM 878 CD1 PHE A 56 2.981 5.869 -4.867 1.00 0.00 C ATOM 879 CD2 PHE A 56 2.192 5.874 -7.117 1.00 0.00 C ATOM 880 CE1 PHE A 56 2.671 4.527 -4.757 1.00 0.00 C ATOM 881 CE2 PHE A 56 1.879 4.531 -7.012 1.00 0.00 C ATOM 882 CZ PHE A 56 2.120 3.857 -5.831 1.00 0.00 C ATOM 0 H PHE A 56 5.178 8.887 -4.556 1.00 0.00 H new ATOM 0 HA PHE A 56 4.915 7.532 -7.177 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.818 8.518 -5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.475 8.460 -6.950 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.412 6.388 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.002 6.396 -8.043 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.860 4.003 -3.832 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.446 4.010 -7.853 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.878 2.808 -5.748 1.00 0.00 H new ATOM 892 N GLU A 57 4.524 9.739 -8.402 1.00 0.00 N ATOM 893 CA GLU A 57 4.653 11.001 -9.120 1.00 0.00 C ATOM 894 C GLU A 57 3.753 12.069 -8.507 1.00 0.00 C ATOM 895 O GLU A 57 4.031 13.264 -8.609 1.00 0.00 O ATOM 896 CB GLU A 57 4.302 10.810 -10.597 1.00 0.00 C ATOM 897 CG GLU A 57 5.441 11.157 -11.542 1.00 0.00 C ATOM 898 CD GLU A 57 5.085 12.279 -12.498 1.00 0.00 C ATOM 899 OE1 GLU A 57 4.633 13.343 -12.024 1.00 0.00 O ATOM 900 OE2 GLU A 57 5.257 12.094 -13.721 1.00 0.00 O ATOM 0 H GLU A 57 4.271 8.944 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 57 5.688 11.332 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.008 9.773 -10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.438 11.429 -10.840 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.316 11.445 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.716 10.271 -12.114 1.00 0.00 H new ATOM 907 N ASP A 58 2.672 11.631 -7.870 1.00 0.00 N ATOM 908 CA ASP A 58 1.731 12.549 -7.239 1.00 0.00 C ATOM 909 C ASP A 58 0.835 11.811 -6.248 1.00 0.00 C ATOM 910 O ASP A 58 1.058 10.639 -5.949 1.00 0.00 O ATOM 911 CB ASP A 58 0.876 13.243 -8.299 1.00 0.00 C ATOM 912 CG ASP A 58 0.988 14.754 -8.234 1.00 0.00 C ATOM 913 OD1 ASP A 58 2.015 15.293 -8.695 1.00 0.00 O ATOM 914 OD2 ASP A 58 0.048 15.398 -7.722 1.00 0.00 O ATOM 0 H ASP A 58 2.426 10.646 -7.777 1.00 0.00 H new ATOM 0 HA ASP A 58 2.303 13.301 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.180 12.901 -9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.166 12.953 -8.168 1.00 0.00 H new ATOM 919 N ARG A 59 -0.177 12.509 -5.743 1.00 0.00 N ATOM 920 CA ARG A 59 -1.105 11.921 -4.783 1.00 0.00 C ATOM 921 C ARG A 59 -2.075 10.970 -5.478 1.00 0.00 C ATOM 922 O ARG A 59 -2.343 9.873 -4.989 1.00 0.00 O ATOM 923 CB ARG A 59 -1.883 13.019 -4.057 1.00 0.00 C ATOM 924 CG ARG A 59 -1.836 12.899 -2.542 1.00 0.00 C ATOM 925 CD ARG A 59 -2.419 11.576 -2.070 1.00 0.00 C ATOM 926 NE ARG A 59 -3.439 11.763 -1.042 1.00 0.00 N ATOM 927 CZ ARG A 59 -4.681 12.160 -1.302 1.00 0.00 C ATOM 928 NH1 ARG A 59 -5.052 12.408 -2.550 1.00 0.00 N ATOM 929 NH2 ARG A 59 -5.551 12.307 -0.312 1.00 0.00 N ATOM 0 H ARG A 59 -0.375 13.481 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.525 11.353 -4.055 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.482 13.990 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.923 12.992 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.804 12.986 -2.201 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.391 13.723 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.853 11.048 -2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.620 10.947 -1.678 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.185 11.579 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.384 12.294 -3.313 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.005 12.712 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.267 12.116 0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.504 12.612 -0.511 1.00 0.00 H new ATOM 943 N GLY A 60 -2.601 11.400 -6.621 1.00 0.00 N ATOM 944 CA GLY A 60 -3.536 10.574 -7.364 1.00 0.00 C ATOM 945 C GLY A 60 -2.999 9.182 -7.626 1.00 0.00 C ATOM 946 O GLY A 60 -3.678 8.188 -7.365 1.00 0.00 O ATOM 0 H GLY A 60 -2.397 12.305 -7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.471 10.501 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.766 11.056 -8.314 1.00 0.00 H new ATOM 950 N ALA A 61 -1.778 9.108 -8.145 1.00 0.00 N ATOM 951 CA ALA A 61 -1.151 7.825 -8.442 1.00 0.00 C ATOM 952 C ALA A 61 -1.031 6.969 -7.185 1.00 0.00 C ATOM 953 O ALA A 61 -0.976 5.742 -7.263 1.00 0.00 O ATOM 954 CB ALA A 61 0.219 8.041 -9.068 1.00 0.00 C ATOM 0 H ALA A 61 -1.203 9.920 -8.369 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.784 7.294 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.676 7.076 -9.285 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.111 8.607 -9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.852 8.595 -8.375 1.00 0.00 H new ATOM 960 N ALA A 62 -0.991 7.624 -6.030 1.00 0.00 N ATOM 961 CA ALA A 62 -0.878 6.922 -4.758 1.00 0.00 C ATOM 962 C ALA A 62 -2.241 6.434 -4.278 1.00 0.00 C ATOM 963 O ALA A 62 -2.401 5.271 -3.908 1.00 0.00 O ATOM 964 CB ALA A 62 -0.240 7.823 -3.711 1.00 0.00 C ATOM 0 H ALA A 62 -1.035 8.640 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.240 6.051 -4.908 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.162 7.285 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.755 8.119 -4.043 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.855 8.712 -3.572 1.00 0.00 H new ATOM 970 N VAL A 63 -3.221 7.332 -4.286 1.00 0.00 N ATOM 971 CA VAL A 63 -4.572 6.992 -3.850 1.00 0.00 C ATOM 972 C VAL A 63 -5.202 5.956 -4.774 1.00 0.00 C ATOM 973 O VAL A 63 -5.706 4.929 -4.321 1.00 0.00 O ATOM 974 CB VAL A 63 -5.475 8.239 -3.803 1.00 0.00 C ATOM 975 CG1 VAL A 63 -6.834 7.891 -3.215 1.00 0.00 C ATOM 976 CG2 VAL A 63 -4.809 9.350 -3.005 1.00 0.00 C ATOM 0 H VAL A 63 -3.106 8.299 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.487 6.575 -2.846 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.626 8.596 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.459 8.784 -3.189 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.313 7.130 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.705 7.509 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.461 10.223 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.626 9.007 -1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.862 9.617 -3.473 1.00 0.00 H new ATOM 986 N LYS A 64 -5.170 6.233 -6.074 1.00 0.00 N ATOM 987 CA LYS A 64 -5.737 5.325 -7.065 1.00 0.00 C ATOM 988 C LYS A 64 -5.117 3.936 -6.946 1.00 0.00 C ATOM 989 O LYS A 64 -5.737 2.937 -7.308 1.00 0.00 O ATOM 990 CB LYS A 64 -5.517 5.875 -8.475 1.00 0.00 C ATOM 991 CG LYS A 64 -6.116 5.005 -9.567 1.00 0.00 C ATOM 992 CD LYS A 64 -5.038 4.321 -10.390 1.00 0.00 C ATOM 993 CE LYS A 64 -5.628 3.278 -11.326 1.00 0.00 C ATOM 994 NZ LYS A 64 -6.246 3.898 -12.530 1.00 0.00 N ATOM 0 H LYS A 64 -4.757 7.079 -6.466 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.808 5.243 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.950 6.873 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.447 5.980 -8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.765 4.253 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.740 5.616 -10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.494 5.066 -10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.316 3.847 -9.724 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.846 2.585 -11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.378 2.695 -10.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.636 3.153 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.009 4.541 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.525 4.434 -13.054 1.00 0.00 H new ATOM 1008 N ALA A 65 -3.891 3.881 -6.436 1.00 0.00 N ATOM 1009 CA ALA A 65 -3.190 2.615 -6.266 1.00 0.00 C ATOM 1010 C ALA A 65 -3.590 1.936 -4.961 1.00 0.00 C ATOM 1011 O ALA A 65 -4.093 0.813 -4.963 1.00 0.00 O ATOM 1012 CB ALA A 65 -1.685 2.835 -6.310 1.00 0.00 C ATOM 0 H ALA A 65 -3.363 4.699 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.474 1.958 -7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.174 1.881 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.409 3.268 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.393 3.514 -5.509 1.00 0.00 H new ATOM 1018 N MET A 66 -3.363 2.624 -3.847 1.00 0.00 N ATOM 1019 CA MET A 66 -3.700 2.087 -2.535 1.00 0.00 C ATOM 1020 C MET A 66 -5.168 1.680 -2.475 1.00 0.00 C ATOM 1021 O MET A 66 -5.547 0.796 -1.705 1.00 0.00 O ATOM 1022 CB MET A 66 -3.400 3.118 -1.445 1.00 0.00 C ATOM 1023 CG MET A 66 -3.917 2.719 -0.072 1.00 0.00 C ATOM 1024 SD MET A 66 -3.497 3.923 1.205 1.00 0.00 S ATOM 1025 CE MET A 66 -4.511 5.312 0.707 1.00 0.00 C ATOM 0 H MET A 66 -2.947 3.555 -3.827 1.00 0.00 H new ATOM 0 HA MET A 66 -3.088 1.201 -2.365 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.322 3.271 -1.388 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.843 4.073 -1.728 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.000 2.604 -0.115 1.00 0.00 H new ATOM 0 HG3 MET A 66 -3.504 1.748 0.200 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.870 6.143 0.412 1.00 0.00 H new ATOM 0 HE2 MET A 66 -5.138 5.021 -0.136 1.00 0.00 H new ATOM 0 HE3 MET A 66 -5.143 5.619 1.541 1.00 0.00 H new ATOM 1035 N ASP A 67 -5.991 2.328 -3.292 1.00 0.00 N ATOM 1036 CA ASP A 67 -7.419 2.032 -3.333 1.00 0.00 C ATOM 1037 C ASP A 67 -7.659 0.546 -3.582 1.00 0.00 C ATOM 1038 O ASP A 67 -8.423 -0.098 -2.865 1.00 0.00 O ATOM 1039 CB ASP A 67 -8.103 2.860 -4.421 1.00 0.00 C ATOM 1040 CG ASP A 67 -9.615 2.805 -4.327 1.00 0.00 C ATOM 1041 OD1 ASP A 67 -10.167 3.313 -3.329 1.00 0.00 O ATOM 1042 OD2 ASP A 67 -10.247 2.254 -5.252 1.00 0.00 O ATOM 0 H ASP A 67 -5.694 3.062 -3.935 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.847 2.294 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.775 3.897 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.789 2.498 -5.400 1.00 0.00 H new ATOM 1047 N GLU A 68 -7.001 0.008 -4.605 1.00 0.00 N ATOM 1048 CA GLU A 68 -7.145 -1.401 -4.949 1.00 0.00 C ATOM 1049 C GLU A 68 -6.080 -2.243 -4.251 1.00 0.00 C ATOM 1050 O GLU A 68 -6.364 -3.332 -3.754 1.00 0.00 O ATOM 1051 CB GLU A 68 -7.049 -1.591 -6.464 1.00 0.00 C ATOM 1052 CG GLU A 68 -7.883 -0.599 -7.257 1.00 0.00 C ATOM 1053 CD GLU A 68 -8.762 -1.271 -8.294 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.578 -2.135 -7.909 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -8.632 -0.935 -9.490 1.00 0.00 O ATOM 0 H GLU A 68 -6.364 0.527 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.126 -1.733 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.006 -1.500 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.367 -2.603 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.509 -0.027 -6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.221 0.111 -7.753 1.00 0.00 H new ATOM 1062 N MET A 69 -4.855 -1.730 -4.220 1.00 0.00 N ATOM 1063 CA MET A 69 -3.748 -2.434 -3.584 1.00 0.00 C ATOM 1064 C MET A 69 -4.113 -2.846 -2.161 1.00 0.00 C ATOM 1065 O MET A 69 -3.794 -3.952 -1.725 1.00 0.00 O ATOM 1066 CB MET A 69 -2.497 -1.553 -3.567 1.00 0.00 C ATOM 1067 CG MET A 69 -1.991 -1.190 -4.953 1.00 0.00 C ATOM 1068 SD MET A 69 -0.570 -2.180 -5.455 1.00 0.00 S ATOM 1069 CE MET A 69 -1.106 -3.816 -4.961 1.00 0.00 C ATOM 0 H MET A 69 -4.604 -0.829 -4.628 1.00 0.00 H new ATOM 0 HA MET A 69 -3.541 -3.334 -4.163 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.715 -0.637 -3.017 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.706 -2.070 -3.024 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.796 -1.324 -5.676 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.718 -0.135 -4.971 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.347 -4.547 -5.239 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.255 -3.840 -3.881 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.043 -4.059 -5.462 1.00 0.00 H new ATOM 1079 N ASN A 70 -4.781 -1.950 -1.443 1.00 0.00 N ATOM 1080 CA ASN A 70 -5.188 -2.222 -0.068 1.00 0.00 C ATOM 1081 C ASN A 70 -6.009 -3.505 0.012 1.00 0.00 C ATOM 1082 O ASN A 70 -7.087 -3.603 -0.572 1.00 0.00 O ATOM 1083 CB ASN A 70 -5.999 -1.049 0.486 1.00 0.00 C ATOM 1084 CG ASN A 70 -6.763 -1.418 1.743 1.00 0.00 C ATOM 1085 OD1 ASN A 70 -7.980 -1.247 1.816 1.00 0.00 O ATOM 1086 ND2 ASN A 70 -6.050 -1.926 2.741 1.00 0.00 N ATOM 0 H ASN A 70 -5.052 -1.030 -1.789 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.288 -2.350 0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.329 -0.217 0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.700 -0.704 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.509 -2.192 3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.043 -2.050 2.637 1.00 0.00 H new ATOM 1093 N GLY A 71 -5.491 -4.488 0.742 1.00 0.00 N ATOM 1094 CA GLY A 71 -6.187 -5.753 0.886 1.00 0.00 C ATOM 1095 C GLY A 71 -5.909 -6.702 -0.262 1.00 0.00 C ATOM 1096 O GLY A 71 -6.828 -7.313 -0.810 1.00 0.00 O ATOM 0 H GLY A 71 -4.601 -4.431 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.888 -6.224 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.259 -5.569 0.949 1.00 0.00 H new ATOM 1100 N LYS A 72 -4.639 -6.829 -0.629 1.00 0.00 N ATOM 1101 CA LYS A 72 -4.241 -7.710 -1.720 1.00 0.00 C ATOM 1102 C LYS A 72 -3.381 -8.859 -1.204 1.00 0.00 C ATOM 1103 O LYS A 72 -2.960 -8.861 -0.048 1.00 0.00 O ATOM 1104 CB LYS A 72 -3.473 -6.924 -2.785 1.00 0.00 C ATOM 1105 CG LYS A 72 -4.362 -6.351 -3.876 1.00 0.00 C ATOM 1106 CD LYS A 72 -4.951 -7.446 -4.748 1.00 0.00 C ATOM 1107 CE LYS A 72 -4.420 -7.372 -6.171 1.00 0.00 C ATOM 1108 NZ LYS A 72 -5.162 -8.280 -7.089 1.00 0.00 N ATOM 0 H LYS A 72 -3.866 -6.332 -0.186 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.145 -8.126 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.932 -6.110 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.728 -7.577 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.167 -5.772 -3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.784 -5.664 -4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.714 -8.420 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.037 -7.359 -4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.497 -6.347 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.362 -7.634 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.769 -8.200 -8.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.068 -9.261 -6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.167 -8.014 -7.103 1.00 0.00 H new ATOM 1122 N GLU A 73 -3.123 -9.835 -2.070 1.00 0.00 N ATOM 1123 CA GLU A 73 -2.312 -10.989 -1.701 1.00 0.00 C ATOM 1124 C GLU A 73 -1.076 -11.093 -2.590 1.00 0.00 C ATOM 1125 O GLU A 73 -1.157 -11.545 -3.732 1.00 0.00 O ATOM 1126 CB GLU A 73 -3.137 -12.274 -1.803 1.00 0.00 C ATOM 1127 CG GLU A 73 -2.315 -13.540 -1.636 1.00 0.00 C ATOM 1128 CD GLU A 73 -3.150 -14.800 -1.765 1.00 0.00 C ATOM 1129 OE1 GLU A 73 -4.387 -14.710 -1.614 1.00 0.00 O ATOM 1130 OE2 GLU A 73 -2.566 -15.874 -2.017 1.00 0.00 O ATOM 0 H GLU A 73 -3.464 -9.849 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.986 -10.856 -0.669 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.918 -12.255 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.635 -12.300 -2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.523 -13.556 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.831 -13.528 -0.660 1.00 0.00 H new ATOM 1137 N ILE A 74 0.066 -10.672 -2.057 1.00 0.00 N ATOM 1138 CA ILE A 74 1.318 -10.718 -2.801 1.00 0.00 C ATOM 1139 C ILE A 74 2.206 -11.858 -2.314 1.00 0.00 C ATOM 1140 O ILE A 74 2.480 -11.977 -1.120 1.00 0.00 O ATOM 1141 CB ILE A 74 2.093 -9.392 -2.680 1.00 0.00 C ATOM 1142 CG1 ILE A 74 1.202 -8.216 -3.087 1.00 0.00 C ATOM 1143 CG2 ILE A 74 3.349 -9.433 -3.539 1.00 0.00 C ATOM 1144 CD1 ILE A 74 1.837 -6.866 -2.847 1.00 0.00 C ATOM 0 H ILE A 74 0.150 -10.295 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 74 1.058 -10.884 -3.846 1.00 0.00 H new ATOM 0 HB ILE A 74 2.391 -9.256 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.953 -8.308 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.265 -8.272 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.886 -8.489 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.990 -10.250 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.072 -9.589 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.149 -6.080 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.061 -6.753 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.759 -6.790 -3.423 1.00 0.00 H new ATOM 1156 N GLU A 75 2.651 -12.694 -3.247 1.00 0.00 N ATOM 1157 CA GLU A 75 3.508 -13.825 -2.911 1.00 0.00 C ATOM 1158 C GLU A 75 2.879 -14.679 -1.815 1.00 0.00 C ATOM 1159 O GLU A 75 3.579 -15.291 -1.010 1.00 0.00 O ATOM 1160 CB GLU A 75 4.886 -13.333 -2.462 1.00 0.00 C ATOM 1161 CG GLU A 75 6.040 -14.078 -3.111 1.00 0.00 C ATOM 1162 CD GLU A 75 6.106 -13.858 -4.611 1.00 0.00 C ATOM 1163 OE1 GLU A 75 5.844 -12.721 -5.055 1.00 0.00 O ATOM 1164 OE2 GLU A 75 6.419 -14.823 -5.339 1.00 0.00 O ATOM 0 H GLU A 75 2.433 -12.610 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 75 3.622 -14.439 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.976 -12.271 -2.691 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.963 -13.433 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.977 -13.754 -2.658 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.940 -15.144 -2.908 1.00 0.00 H new ATOM 1171 N GLY A 76 1.550 -14.717 -1.792 1.00 0.00 N ATOM 1172 CA GLY A 76 0.847 -15.497 -0.790 1.00 0.00 C ATOM 1173 C GLY A 76 1.017 -14.936 0.607 1.00 0.00 C ATOM 1174 O GLY A 76 0.955 -15.674 1.590 1.00 0.00 O ATOM 0 H GLY A 76 0.948 -14.222 -2.449 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.214 -15.530 -1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.211 -16.524 -0.812 1.00 0.00 H new ATOM 1178 N GLU A 77 1.233 -13.627 0.696 1.00 0.00 N ATOM 1179 CA GLU A 77 1.414 -12.969 1.984 1.00 0.00 C ATOM 1180 C GLU A 77 0.455 -11.791 2.134 1.00 0.00 C ATOM 1181 O GLU A 77 0.410 -10.904 1.282 1.00 0.00 O ATOM 1182 CB GLU A 77 2.859 -12.487 2.137 1.00 0.00 C ATOM 1183 CG GLU A 77 3.826 -13.585 2.550 1.00 0.00 C ATOM 1184 CD GLU A 77 3.917 -13.744 4.055 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.941 -14.230 4.662 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.968 -13.382 4.626 1.00 0.00 O ATOM 0 H GLU A 77 1.287 -13.002 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 77 1.195 -13.695 2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.192 -12.058 1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.890 -11.689 2.879 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.509 -14.529 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.816 -13.362 2.151 1.00 0.00 H new ATOM 1193 N GLU A 78 -0.310 -11.793 3.220 1.00 0.00 N ATOM 1194 CA GLU A 78 -1.268 -10.725 3.481 1.00 0.00 C ATOM 1195 C GLU A 78 -0.561 -9.379 3.614 1.00 0.00 C ATOM 1196 O GLU A 78 0.084 -9.103 4.626 1.00 0.00 O ATOM 1197 CB GLU A 78 -2.064 -11.024 4.753 1.00 0.00 C ATOM 1198 CG GLU A 78 -2.972 -12.237 4.633 1.00 0.00 C ATOM 1199 CD GLU A 78 -2.398 -13.462 5.318 1.00 0.00 C ATOM 1200 OE1 GLU A 78 -1.963 -13.342 6.482 1.00 0.00 O ATOM 1201 OE2 GLU A 78 -2.386 -14.543 4.690 1.00 0.00 O ATOM 0 H GLU A 78 -0.285 -12.522 3.933 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.954 -10.673 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.369 -11.181 5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.668 -10.153 5.007 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.944 -12.004 5.068 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.139 -12.459 3.579 1.00 0.00 H new ATOM 1208 N ILE A 79 -0.688 -8.548 2.586 1.00 0.00 N ATOM 1209 CA ILE A 79 -0.062 -7.231 2.587 1.00 0.00 C ATOM 1210 C ILE A 79 -1.057 -6.150 2.995 1.00 0.00 C ATOM 1211 O ILE A 79 -2.207 -6.154 2.557 1.00 0.00 O ATOM 1212 CB ILE A 79 0.519 -6.882 1.205 1.00 0.00 C ATOM 1213 CG1 ILE A 79 -0.576 -6.931 0.139 1.00 0.00 C ATOM 1214 CG2 ILE A 79 1.653 -7.834 0.851 1.00 0.00 C ATOM 1215 CD1 ILE A 79 -0.762 -5.623 -0.598 1.00 0.00 C ATOM 0 H ILE A 79 -1.218 -8.763 1.742 1.00 0.00 H new ATOM 0 HA ILE A 79 0.749 -7.268 3.314 1.00 0.00 H new ATOM 0 HB ILE A 79 0.919 -5.869 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.336 -7.713 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.518 -7.210 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.053 -7.574 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.442 -7.754 1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.276 -8.857 0.830 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.554 -5.732 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.033 -4.841 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.168 -5.352 -1.099 1.00 0.00 H new ATOM 1227 N GLU A 80 -0.606 -5.225 3.836 1.00 0.00 N ATOM 1228 CA GLU A 80 -1.457 -4.136 4.302 1.00 0.00 C ATOM 1229 C GLU A 80 -0.939 -2.790 3.806 1.00 0.00 C ATOM 1230 O GLU A 80 0.243 -2.644 3.495 1.00 0.00 O ATOM 1231 CB GLU A 80 -1.529 -4.134 5.831 1.00 0.00 C ATOM 1232 CG GLU A 80 -2.918 -3.845 6.375 1.00 0.00 C ATOM 1233 CD GLU A 80 -3.625 -5.095 6.864 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -4.216 -5.808 6.026 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.587 -5.360 8.083 1.00 0.00 O ATOM 0 H GLU A 80 0.343 -5.208 4.209 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.457 -4.293 3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.197 -5.103 6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.834 -3.389 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.842 -3.131 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.518 -3.374 5.597 1.00 0.00 H new ATOM 1242 N ILE A 81 -1.833 -1.810 3.732 1.00 0.00 N ATOM 1243 CA ILE A 81 -1.468 -0.475 3.273 1.00 0.00 C ATOM 1244 C ILE A 81 -2.193 0.600 4.076 1.00 0.00 C ATOM 1245 O ILE A 81 -3.392 0.494 4.335 1.00 0.00 O ATOM 1246 CB ILE A 81 -1.787 -0.287 1.779 1.00 0.00 C ATOM 1247 CG1 ILE A 81 -1.212 -1.446 0.962 1.00 0.00 C ATOM 1248 CG2 ILE A 81 -1.236 1.041 1.283 1.00 0.00 C ATOM 1249 CD1 ILE A 81 -1.569 -1.386 -0.507 1.00 0.00 C ATOM 0 H ILE A 81 -2.816 -1.915 3.984 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.393 -0.373 3.422 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.870 -0.280 1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.127 -1.448 1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.573 -2.387 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.470 1.159 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.688 1.856 1.848 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.155 1.060 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.128 -2.238 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.653 -1.415 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.184 -0.462 -0.938 1.00 0.00 H new ATOM 1261 N VAL A 82 -1.457 1.636 4.466 1.00 0.00 N ATOM 1262 CA VAL A 82 -2.031 2.733 5.236 1.00 0.00 C ATOM 1263 C VAL A 82 -1.357 4.057 4.893 1.00 0.00 C ATOM 1264 O VAL A 82 -0.174 4.094 4.552 1.00 0.00 O ATOM 1265 CB VAL A 82 -1.902 2.483 6.750 1.00 0.00 C ATOM 1266 CG1 VAL A 82 -2.569 1.170 7.134 1.00 0.00 C ATOM 1267 CG2 VAL A 82 -0.439 2.489 7.169 1.00 0.00 C ATOM 0 H VAL A 82 -0.463 1.739 4.262 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.087 2.786 4.972 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.411 3.290 7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.467 1.011 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.626 1.208 6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.092 0.349 6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.367 2.311 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.096 1.704 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.004 3.456 6.931 1.00 0.00 H new ATOM 1277 N LEU A 83 -2.118 5.143 4.984 1.00 0.00 N ATOM 1278 CA LEU A 83 -1.594 6.471 4.683 1.00 0.00 C ATOM 1279 C LEU A 83 -0.584 6.910 5.737 1.00 0.00 C ATOM 1280 O LEU A 83 -0.943 7.167 6.886 1.00 0.00 O ATOM 1281 CB LEU A 83 -2.737 7.484 4.603 1.00 0.00 C ATOM 1282 CG LEU A 83 -3.487 7.546 3.271 1.00 0.00 C ATOM 1283 CD1 LEU A 83 -4.738 8.401 3.401 1.00 0.00 C ATOM 1284 CD2 LEU A 83 -2.582 8.086 2.174 1.00 0.00 C ATOM 0 H LEU A 83 -3.099 5.130 5.264 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.088 6.425 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.455 7.255 5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.334 8.474 4.817 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.790 6.535 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -5.258 8.433 2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.396 7.971 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.458 9.412 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.132 8.123 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.248 9.089 2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.716 7.433 2.062 1.00 0.00 H new ATOM 1296 N ALA A 84 0.681 6.995 5.338 1.00 0.00 N ATOM 1297 CA ALA A 84 1.743 7.407 6.248 1.00 0.00 C ATOM 1298 C ALA A 84 1.561 8.858 6.682 1.00 0.00 C ATOM 1299 O ALA A 84 0.979 9.666 5.957 1.00 0.00 O ATOM 1300 CB ALA A 84 3.102 7.217 5.592 1.00 0.00 C ATOM 0 H ALA A 84 0.995 6.784 4.391 1.00 0.00 H new ATOM 0 HA ALA A 84 1.690 6.780 7.138 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.886 7.528 6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.239 6.166 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.156 7.820 4.686 1.00 0.00 H new ATOM 1306 N LYS A 85 2.062 9.182 7.869 1.00 0.00 N ATOM 1307 CA LYS A 85 1.956 10.535 8.401 1.00 0.00 C ATOM 1308 C LYS A 85 3.332 11.185 8.512 1.00 0.00 C ATOM 1309 O LYS A 85 4.349 10.516 8.697 1.00 0.00 O ATOM 1310 CB LYS A 85 1.278 10.515 9.772 1.00 0.00 C ATOM 1311 CG LYS A 85 1.942 9.579 10.767 1.00 0.00 C ATOM 1312 CD LYS A 85 1.207 8.252 10.861 1.00 0.00 C ATOM 1313 CE LYS A 85 2.174 7.079 10.886 1.00 0.00 C ATOM 1314 NZ LYS A 85 1.781 6.057 11.896 1.00 0.00 N ATOM 0 H LYS A 85 2.546 8.525 8.481 1.00 0.00 H new ATOM 0 HA LYS A 85 1.350 11.123 7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.277 11.525 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.236 10.220 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.975 9.403 10.469 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.970 10.051 11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.593 8.238 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.530 8.149 10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.212 6.618 9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.178 7.441 11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.465 5.274 11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.770 6.490 12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.833 5.693 11.671 1.00 0.00 H new ATOM 1328 N PRO A 86 3.367 12.522 8.400 1.00 0.00 N ATOM 1329 CA PRO A 86 4.612 13.291 8.488 1.00 0.00 C ATOM 1330 C PRO A 86 5.193 13.296 9.898 1.00 0.00 C ATOM 1331 O PRO A 86 4.540 12.902 10.865 1.00 0.00 O ATOM 1332 CB PRO A 86 4.186 14.703 8.079 1.00 0.00 C ATOM 1333 CG PRO A 86 2.734 14.769 8.406 1.00 0.00 C ATOM 1334 CD PRO A 86 2.194 13.384 8.180 1.00 0.00 C ATOM 0 HA PRO A 86 5.397 12.869 7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.750 15.460 8.624 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.361 14.878 7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.581 15.084 9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.224 15.495 7.772 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.387 13.149 8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.793 13.268 7.173 1.00 0.00 H new ATOM 1342 N PRO A 87 6.448 13.752 10.020 1.00 0.00 N ATOM 1343 CA PRO A 87 7.143 13.821 11.308 1.00 0.00 C ATOM 1344 C PRO A 87 6.560 14.890 12.226 1.00 0.00 C ATOM 1345 O PRO A 87 5.821 15.769 11.780 1.00 0.00 O ATOM 1346 CB PRO A 87 8.580 14.177 10.919 1.00 0.00 C ATOM 1347 CG PRO A 87 8.455 14.875 9.608 1.00 0.00 C ATOM 1348 CD PRO A 87 7.285 14.239 8.910 1.00 0.00 C ATOM 0 HA PRO A 87 7.057 12.889 11.867 1.00 0.00 H new ATOM 0 HB2 PRO A 87 9.045 14.819 11.667 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.200 13.285 10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 87 8.292 15.943 9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.366 14.767 9.020 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.750 14.957 8.288 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.601 13.425 8.258 1.00 0.00 H new ATOM 1356 N ASP A 88 6.898 14.811 13.508 1.00 0.00 N ATOM 1357 CA ASP A 88 6.409 15.774 14.489 1.00 0.00 C ATOM 1358 C ASP A 88 7.567 16.529 15.133 1.00 0.00 C ATOM 1359 O ASP A 88 7.506 17.746 15.314 1.00 0.00 O ATOM 1360 CB ASP A 88 5.584 15.065 15.564 1.00 0.00 C ATOM 1361 CG ASP A 88 4.342 15.846 15.950 1.00 0.00 C ATOM 1362 OD1 ASP A 88 3.513 16.120 15.058 1.00 0.00 O ATOM 1363 OD2 ASP A 88 4.201 16.183 17.144 1.00 0.00 O ATOM 0 H ASP A 88 7.509 14.090 13.893 1.00 0.00 H new ATOM 0 HA ASP A 88 5.774 16.493 13.971 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.292 14.079 15.202 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.202 14.910 16.449 1.00 0.00 H new ATOM 1368 N LYS A 89 8.621 15.799 15.481 1.00 0.00 N ATOM 1369 CA LYS A 89 9.794 16.398 16.106 1.00 0.00 C ATOM 1370 C LYS A 89 9.404 17.182 17.355 1.00 0.00 C ATOM 1371 O LYS A 89 9.884 18.294 17.578 1.00 0.00 O ATOM 1372 CB LYS A 89 10.511 17.319 15.116 1.00 0.00 C ATOM 1373 CG LYS A 89 11.382 16.578 14.117 1.00 0.00 C ATOM 1374 CD LYS A 89 12.833 16.534 14.566 1.00 0.00 C ATOM 1375 CE LYS A 89 13.602 15.430 13.858 1.00 0.00 C ATOM 1376 NZ LYS A 89 14.288 15.929 12.634 1.00 0.00 N ATOM 0 H LYS A 89 8.687 14.791 15.341 1.00 0.00 H new ATOM 0 HA LYS A 89 10.469 15.594 16.399 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.768 17.904 14.574 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.129 18.024 15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.008 15.562 13.991 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.316 17.065 13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.306 17.495 14.365 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.877 16.376 15.644 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.339 15.006 14.540 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.917 14.626 13.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.801 15.146 12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.583 16.311 11.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.960 16.679 12.894 1.00 0.00 H new ATOM 1390 N LYS A 90 8.532 16.596 18.168 1.00 0.00 N ATOM 1391 CA LYS A 90 8.080 17.237 19.397 1.00 0.00 C ATOM 1392 C LYS A 90 8.878 16.737 20.597 1.00 0.00 C ATOM 1393 O LYS A 90 8.746 15.583 21.006 1.00 0.00 O ATOM 1394 CB LYS A 90 6.589 16.971 19.616 1.00 0.00 C ATOM 1395 CG LYS A 90 5.916 17.989 20.521 1.00 0.00 C ATOM 1396 CD LYS A 90 5.195 19.059 19.716 1.00 0.00 C ATOM 1397 CE LYS A 90 3.746 19.205 20.156 1.00 0.00 C ATOM 1398 NZ LYS A 90 3.162 20.502 19.717 1.00 0.00 N ATOM 0 H LYS A 90 8.124 15.677 17.998 1.00 0.00 H new ATOM 0 HA LYS A 90 8.241 18.310 19.298 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.084 16.966 18.650 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.465 15.977 20.046 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.205 17.483 21.174 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.663 18.456 21.163 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.710 20.013 19.833 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.231 18.805 18.657 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.157 18.384 19.746 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.687 19.129 21.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.174 20.564 20.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.708 21.286 20.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.195 20.564 18.679 1.00 0.00 H new ATOM 1412 N ARG A 91 9.705 17.613 21.159 1.00 0.00 N ATOM 1413 CA ARG A 91 10.524 17.261 22.312 1.00 0.00 C ATOM 1414 C ARG A 91 9.919 17.817 23.598 1.00 0.00 C ATOM 1415 O ARG A 91 9.717 19.024 23.730 1.00 0.00 O ATOM 1416 CB ARG A 91 11.948 17.790 22.135 1.00 0.00 C ATOM 1417 CG ARG A 91 13.010 16.903 22.763 1.00 0.00 C ATOM 1418 CD ARG A 91 13.339 17.346 24.180 1.00 0.00 C ATOM 1419 NE ARG A 91 14.758 17.187 24.487 1.00 0.00 N ATOM 1420 CZ ARG A 91 15.313 16.028 24.820 1.00 0.00 C ATOM 1421 NH1 ARG A 91 14.573 14.930 24.889 1.00 0.00 N ATOM 1422 NH2 ARG A 91 16.611 15.964 25.086 1.00 0.00 N ATOM 0 H ARG A 91 9.825 18.572 20.834 1.00 0.00 H new ATOM 0 HA ARG A 91 10.555 16.174 22.385 1.00 0.00 H new ATOM 0 HB2 ARG A 91 12.158 17.895 21.071 1.00 0.00 H new ATOM 0 HB3 ARG A 91 12.013 18.786 22.573 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.662 15.870 22.775 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.913 16.928 22.154 1.00 0.00 H new ATOM 0 HD2 ARG A 91 13.055 18.390 24.309 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.748 16.765 24.888 1.00 0.00 H new ATOM 0 HE ARG A 91 15.356 18.012 24.443 1.00 0.00 H new ATOM 0 HH11 ARG A 91 13.574 14.974 24.686 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.002 14.041 25.145 1.00 0.00 H new ATOM 0 HH21 ARG A 91 17.184 16.806 25.035 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.036 15.073 25.342 1.00 0.00 H new ATOM 1436 N SER A 92 9.632 16.927 24.544 1.00 0.00 N ATOM 1437 CA SER A 92 9.047 17.329 25.818 1.00 0.00 C ATOM 1438 C SER A 92 9.055 16.169 26.808 1.00 0.00 C ATOM 1439 O SER A 92 8.844 15.015 26.433 1.00 0.00 O ATOM 1440 CB SER A 92 7.615 17.828 25.611 1.00 0.00 C ATOM 1441 OG SER A 92 7.229 18.713 26.648 1.00 0.00 O ATOM 0 H SER A 92 9.795 15.924 24.452 1.00 0.00 H new ATOM 0 HA SER A 92 9.650 18.139 26.228 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.539 18.335 24.649 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.932 16.979 25.580 1.00 0.00 H new ATOM 0 HG SER A 92 6.311 19.019 26.492 1.00 0.00 H new ATOM 1447 N GLY A 93 9.299 16.483 28.077 1.00 0.00 N ATOM 1448 CA GLY A 93 9.330 15.457 29.103 1.00 0.00 C ATOM 1449 C GLY A 93 10.371 15.734 30.170 1.00 0.00 C ATOM 1450 O GLY A 93 11.419 15.091 30.226 1.00 0.00 O ATOM 0 H GLY A 93 9.476 17.430 28.413 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.347 15.384 29.569 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.536 14.492 28.641 1.00 0.00 H new ATOM 1454 N PRO A 94 10.086 16.716 31.039 1.00 0.00 N ATOM 1455 CA PRO A 94 10.994 17.101 32.124 1.00 0.00 C ATOM 1456 C PRO A 94 11.087 16.033 33.208 1.00 0.00 C ATOM 1457 O PRO A 94 10.296 15.089 33.233 1.00 0.00 O ATOM 1458 CB PRO A 94 10.358 18.376 32.681 1.00 0.00 C ATOM 1459 CG PRO A 94 8.913 18.261 32.339 1.00 0.00 C ATOM 1460 CD PRO A 94 8.856 17.524 31.030 1.00 0.00 C ATOM 0 HA PRO A 94 12.017 17.237 31.772 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.505 18.453 33.758 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.801 19.266 32.235 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.370 17.721 33.115 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.452 19.245 32.253 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.966 16.899 30.959 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.832 18.210 30.183 1.00 0.00 H new ATOM 1468 N SER A 95 12.056 16.188 34.104 1.00 0.00 N ATOM 1469 CA SER A 95 12.254 15.236 35.189 1.00 0.00 C ATOM 1470 C SER A 95 11.318 15.538 36.356 1.00 0.00 C ATOM 1471 O SER A 95 10.567 16.513 36.325 1.00 0.00 O ATOM 1472 CB SER A 95 13.708 15.267 35.666 1.00 0.00 C ATOM 1473 OG SER A 95 14.122 13.991 36.125 1.00 0.00 O ATOM 0 H SER A 95 12.717 16.965 34.099 1.00 0.00 H new ATOM 0 HA SER A 95 12.025 14.240 34.810 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.355 15.591 34.851 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.816 15.998 36.468 1.00 0.00 H new ATOM 0 HG SER A 95 15.055 14.037 36.422 1.00 0.00 H new ATOM 1479 N SER A 96 11.370 14.696 37.382 1.00 0.00 N ATOM 1480 CA SER A 96 10.525 14.871 38.558 1.00 0.00 C ATOM 1481 C SER A 96 9.050 14.748 38.189 1.00 0.00 C ATOM 1482 O SER A 96 8.704 14.525 37.029 1.00 0.00 O ATOM 1483 CB SER A 96 10.789 16.231 39.205 1.00 0.00 C ATOM 1484 OG SER A 96 10.874 16.118 40.615 1.00 0.00 O ATOM 0 H SER A 96 11.988 13.886 37.423 1.00 0.00 H new ATOM 0 HA SER A 96 10.770 14.084 39.272 1.00 0.00 H new ATOM 0 HB2 SER A 96 11.717 16.649 38.814 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.991 16.924 38.940 1.00 0.00 H new ATOM 0 HG SER A 96 11.045 17.001 41.004 1.00 0.00 H new ATOM 1490 N GLY A 97 8.181 14.897 39.186 1.00 0.00 N ATOM 1491 CA GLY A 97 6.754 14.800 38.948 1.00 0.00 C ATOM 1492 C GLY A 97 5.960 14.656 40.230 1.00 0.00 C ATOM 1493 O GLY A 97 5.810 15.616 40.986 1.00 0.00 O ATOM 0 H GLY A 97 8.442 15.083 40.154 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.417 15.688 38.414 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.554 13.945 38.303 1.00 0.00 H new TER 1497 GLY A 97