USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 907 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 106 THR OG1 : rot -170:sc= -0.093 USER MOD Set 1.2: A 111 HIS : no HE2:sc= -0.775 X(o=-0.87,f=-1.3) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.66 K(o=2.6,f=-8.2!) USER MOD Set 2.2: A 67 CYS SG : rot -118:sc= 0.941 USER MOD Set 2.3: A 68 SER OG : rot 180:sc= 0.0163 USER MOD Set 2.4: A 69 SER OG : rot 125:sc= 2.27 USER MOD Set 3.1: A 18 HIS : no HE2:sc= -2.07 K(o=-0.75,f=-2.3!) USER MOD Set 3.2: A 21 SER OG : rot -47:sc= 1.32 USER MOD Set 4.1: A 12 SER OG : rot -6:sc= 0.733 USER MOD Set 4.2: A 116 THR OG1 : rot 136:sc= 1.31 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0587 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HE2:sc= 0.31 F(o=-1.1,f=0.31) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -160:sc= -0.43 USER MOD Single : A 17 LYS NZ :NH3+ 151:sc= 1.28 (180deg=1.06) USER MOD Single : A 19 SER OG : rot 180:sc= -0.227 USER MOD Single : A 20 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.11) USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot -100:sc= -2.32! USER MOD Single : A 29 GLN :FLIP amide:sc= -1.42 F(o=-3.2!,f=-1.4) USER MOD Single : A 31 LYS NZ :NH3+ -128:sc= -0.544 (180deg=-2.33!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 35 THR OG1 : rot 180:sc=-0.00989 USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.0252 (180deg=-0.257) USER MOD Single : A 44 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.67) USER MOD Single : A 46 TYR OH : rot -65:sc= 0.866 USER MOD Single : A 48 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.26) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -42:sc= 0.0611 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 90:sc= -0.64! USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0216 F(o=-1.3!,f=-0.022) USER MOD Single : A 65 SER OG : rot 148:sc= 1.3 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -1.06 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.485 F(o=-2.6,f=-0.49) USER MOD Single : A 84 MET CE :methyl 163:sc= 0 (180deg=-0.365) USER MOD Single : A 85 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.13) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= -0.0699 (180deg=-0.344) USER MOD Single : A 97 THR OG1 : rot -75:sc= 1.28 USER MOD Single : A 100 MET CE :methyl 165:sc= -0.194 (180deg=-0.513) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.522 16.561 -2.094 1.00 44.24 N ATOM 2 CA GLY A 1 20.235 16.095 -1.537 1.00 72.14 C ATOM 3 C GLY A 1 20.434 15.151 -0.375 1.00 64.24 C ATOM 4 O GLY A 1 21.478 14.507 -0.268 1.00 3.31 O ATOM 0 H1 GLY A 1 21.709 17.532 -1.771 1.00 44.24 H new ATOM 0 H2 GLY A 1 22.287 15.935 -1.770 1.00 44.24 H new ATOM 0 H3 GLY A 1 21.477 16.544 -3.133 1.00 44.24 H new ATOM 0 HA2 GLY A 1 19.648 16.954 -1.211 1.00 72.14 H new ATOM 0 HA3 GLY A 1 19.661 15.595 -2.317 1.00 72.14 H new ATOM 10 N SER A 2 19.442 15.063 0.492 1.00 51.11 N ATOM 11 CA SER A 2 19.523 14.207 1.657 1.00 21.21 C ATOM 12 C SER A 2 19.332 12.738 1.280 1.00 12.31 C ATOM 13 O SER A 2 18.215 12.291 1.013 1.00 50.32 O ATOM 14 CB SER A 2 18.489 14.635 2.695 1.00 21.44 C ATOM 15 OG SER A 2 18.631 16.015 3.002 1.00 24.04 O ATOM 0 H SER A 2 18.566 15.578 0.408 1.00 51.11 H new ATOM 0 HA SER A 2 20.519 14.311 2.088 1.00 21.21 H new ATOM 0 HB2 SER A 2 17.485 14.442 2.317 1.00 21.44 H new ATOM 0 HB3 SER A 2 18.608 14.041 3.601 1.00 21.44 H new ATOM 0 HG SER A 2 17.959 16.273 3.667 1.00 24.04 H new ATOM 21 N HIS A 3 20.434 12.005 1.231 1.00 1.33 N ATOM 22 CA HIS A 3 20.406 10.578 0.922 1.00 12.43 C ATOM 23 C HIS A 3 20.282 9.769 2.199 1.00 15.42 C ATOM 24 O HIS A 3 19.873 8.611 2.174 1.00 44.05 O ATOM 25 CB HIS A 3 21.679 10.148 0.175 1.00 34.31 C ATOM 26 CG HIS A 3 21.768 10.630 -1.242 1.00 4.34 C ATOM 27 ND1 HIS A 3 21.962 11.868 -1.748 1.00 2.21 N flip ATOM 28 CD2 HIS A 3 21.682 9.789 -2.328 1.00 73.23 C flip ATOM 29 CE1 HIS A 3 21.992 11.750 -3.113 1.00 61.11 C flip ATOM 30 NE2 HIS A 3 21.822 10.485 -3.436 1.00 4.33 N flip ATOM 0 H HIS A 3 21.368 12.377 1.403 1.00 1.33 H new ATOM 0 HA HIS A 3 19.543 10.393 0.282 1.00 12.43 H new ATOM 0 HB2 HIS A 3 22.547 10.514 0.724 1.00 34.31 H new ATOM 0 HB3 HIS A 3 21.735 9.059 0.178 1.00 34.31 H new ATOM 0 HD1 HIS A 3 22.067 12.730 -1.213 1.00 2.21 H new ATOM 0 HD2 HIS A 3 21.524 8.722 -2.278 1.00 73.23 H new ATOM 0 HE1 HIS A 3 22.132 12.563 -3.810 1.00 61.11 H new ATOM 39 N MET A 4 20.641 10.393 3.315 1.00 1.33 N ATOM 40 CA MET A 4 20.604 9.734 4.616 1.00 11.44 C ATOM 41 C MET A 4 19.184 9.330 4.983 1.00 52.33 C ATOM 42 O MET A 4 18.224 10.048 4.683 1.00 54.11 O ATOM 43 CB MET A 4 21.190 10.645 5.698 1.00 72.13 C ATOM 44 CG MET A 4 22.638 11.038 5.451 1.00 54.20 C ATOM 45 SD MET A 4 23.294 12.130 6.724 1.00 13.22 S ATOM 46 CE MET A 4 24.911 12.500 6.049 1.00 23.44 C ATOM 0 H MET A 4 20.963 11.360 3.345 1.00 1.33 H new ATOM 0 HA MET A 4 21.211 8.831 4.551 1.00 11.44 H new ATOM 0 HB2 MET A 4 20.584 11.549 5.766 1.00 72.13 H new ATOM 0 HB3 MET A 4 21.119 10.141 6.662 1.00 72.13 H new ATOM 0 HG2 MET A 4 23.250 10.138 5.401 1.00 54.20 H new ATOM 0 HG3 MET A 4 22.715 11.530 4.482 1.00 54.20 H new ATOM 0 HE1 MET A 4 25.443 13.169 6.725 1.00 23.44 H new ATOM 0 HE2 MET A 4 25.477 11.576 5.933 1.00 23.44 H new ATOM 0 HE3 MET A 4 24.798 12.981 5.077 1.00 23.44 H new ATOM 56 N GLU A 5 19.058 8.180 5.624 1.00 14.53 N ATOM 57 CA GLU A 5 17.759 7.659 6.025 1.00 10.13 C ATOM 58 C GLU A 5 17.141 8.532 7.109 1.00 15.00 C ATOM 59 O GLU A 5 17.797 8.851 8.107 1.00 3.53 O ATOM 60 CB GLU A 5 17.873 6.216 6.545 1.00 34.11 C ATOM 61 CG GLU A 5 18.338 5.187 5.519 1.00 14.33 C ATOM 62 CD GLU A 5 19.782 5.365 5.107 1.00 51.31 C ATOM 63 OE1 GLU A 5 20.046 5.494 3.900 1.00 20.41 O ATOM 64 OE2 GLU A 5 20.662 5.386 5.992 1.00 62.21 O ATOM 0 H GLU A 5 19.845 7.584 5.880 1.00 14.53 H new ATOM 0 HA GLU A 5 17.120 7.667 5.142 1.00 10.13 H new ATOM 0 HB2 GLU A 5 18.566 6.204 7.386 1.00 34.11 H new ATOM 0 HB3 GLU A 5 16.900 5.908 6.929 1.00 34.11 H new ATOM 0 HG2 GLU A 5 18.206 4.187 5.932 1.00 14.33 H new ATOM 0 HG3 GLU A 5 17.704 5.253 4.635 1.00 14.33 H new ATOM 71 N PRO A 6 15.878 8.935 6.926 1.00 70.42 N ATOM 72 CA PRO A 6 15.159 9.735 7.912 1.00 43.32 C ATOM 73 C PRO A 6 14.746 8.899 9.127 1.00 3.33 C ATOM 74 O PRO A 6 14.895 7.674 9.126 1.00 45.12 O ATOM 75 CB PRO A 6 13.929 10.222 7.149 1.00 23.13 C ATOM 76 CG PRO A 6 13.704 9.204 6.085 1.00 62.13 C ATOM 77 CD PRO A 6 15.056 8.648 5.733 1.00 5.12 C ATOM 0 HA PRO A 6 15.768 10.546 8.312 1.00 43.32 H new ATOM 0 HB2 PRO A 6 13.064 10.303 7.807 1.00 23.13 H new ATOM 0 HB3 PRO A 6 14.097 11.210 6.720 1.00 23.13 H new ATOM 0 HG2 PRO A 6 13.040 8.415 6.437 1.00 62.13 H new ATOM 0 HG3 PRO A 6 13.230 9.653 5.212 1.00 62.13 H new ATOM 0 HD2 PRO A 6 15.008 7.578 5.529 1.00 5.12 H new ATOM 0 HD3 PRO A 6 15.465 9.125 4.842 1.00 5.12 H new ATOM 85 N ALA A 7 14.231 9.556 10.151 1.00 23.45 N ATOM 86 CA ALA A 7 13.828 8.869 11.368 1.00 4.41 C ATOM 87 C ALA A 7 12.364 8.464 11.311 1.00 33.13 C ATOM 88 O ALA A 7 12.014 7.321 11.613 1.00 73.34 O ATOM 89 CB ALA A 7 14.089 9.746 12.582 1.00 21.23 C ATOM 0 H ALA A 7 14.081 10.565 10.165 1.00 23.45 H new ATOM 0 HA ALA A 7 14.425 7.961 11.456 1.00 4.41 H new ATOM 0 HB1 ALA A 7 13.782 9.218 13.485 1.00 21.23 H new ATOM 0 HB2 ALA A 7 15.152 9.978 12.641 1.00 21.23 H new ATOM 0 HB3 ALA A 7 13.520 10.671 12.492 1.00 21.23 H new ATOM 95 N ARG A 8 11.511 9.400 10.927 1.00 53.43 N ATOM 96 CA ARG A 8 10.084 9.142 10.842 1.00 61.11 C ATOM 97 C ARG A 8 9.519 9.673 9.541 1.00 74.24 C ATOM 98 O ARG A 8 9.941 10.724 9.058 1.00 32.02 O ATOM 99 CB ARG A 8 9.343 9.782 12.022 1.00 33.51 C ATOM 100 CG ARG A 8 9.767 9.259 13.382 1.00 55.15 C ATOM 101 CD ARG A 8 8.956 9.893 14.499 1.00 44.02 C ATOM 102 NE ARG A 8 7.531 9.551 14.411 1.00 51.24 N ATOM 103 CZ ARG A 8 6.550 10.285 14.944 1.00 2.32 C ATOM 104 NH1 ARG A 8 6.836 11.400 15.606 1.00 31.12 N ATOM 105 NH2 ARG A 8 5.282 9.900 14.816 1.00 62.31 N ATOM 0 H ARG A 8 11.784 10.348 10.669 1.00 53.43 H new ATOM 0 HA ARG A 8 9.940 8.062 10.877 1.00 61.11 H new ATOM 0 HB2 ARG A 8 9.502 10.860 11.994 1.00 33.51 H new ATOM 0 HB3 ARG A 8 8.273 9.614 11.898 1.00 33.51 H new ATOM 0 HG2 ARG A 8 9.644 8.176 13.411 1.00 55.15 H new ATOM 0 HG3 ARG A 8 10.826 9.464 13.538 1.00 55.15 H new ATOM 0 HD2 ARG A 8 9.348 9.565 15.462 1.00 44.02 H new ATOM 0 HD3 ARG A 8 9.071 10.976 14.460 1.00 44.02 H new ATOM 0 HE ARG A 8 7.274 8.700 13.912 1.00 51.24 H new ATOM 0 HH11 ARG A 8 7.806 11.698 15.708 1.00 31.12 H new ATOM 0 HH12 ARG A 8 6.085 11.959 16.012 1.00 31.12 H new ATOM 0 HH21 ARG A 8 5.058 9.043 14.310 1.00 62.31 H new ATOM 0 HH22 ARG A 8 4.535 10.462 15.224 1.00 62.31 H new ATOM 119 N VAL A 9 8.585 8.939 8.969 1.00 31.15 N ATOM 120 CA VAL A 9 7.926 9.349 7.737 1.00 64.25 C ATOM 121 C VAL A 9 6.437 9.050 7.814 1.00 45.01 C ATOM 122 O VAL A 9 6.030 8.052 8.413 1.00 72.00 O ATOM 123 CB VAL A 9 8.520 8.642 6.480 1.00 43.11 C ATOM 124 CG1 VAL A 9 9.946 9.094 6.218 1.00 71.31 C ATOM 125 CG2 VAL A 9 8.462 7.126 6.629 1.00 71.40 C ATOM 0 H VAL A 9 8.260 8.046 9.340 1.00 31.15 H new ATOM 0 HA VAL A 9 8.094 10.421 7.632 1.00 64.25 H new ATOM 0 HB VAL A 9 7.910 8.928 5.623 1.00 43.11 H new ATOM 0 HG11 VAL A 9 10.333 8.584 5.336 1.00 71.31 H new ATOM 0 HG12 VAL A 9 9.961 10.171 6.051 1.00 71.31 H new ATOM 0 HG13 VAL A 9 10.569 8.852 7.079 1.00 71.31 H new ATOM 0 HG21 VAL A 9 8.882 6.657 5.739 1.00 71.40 H new ATOM 0 HG22 VAL A 9 9.037 6.824 7.504 1.00 71.40 H new ATOM 0 HG23 VAL A 9 7.425 6.812 6.750 1.00 71.40 H new ATOM 135 N ARG A 10 5.627 9.920 7.236 1.00 3.33 N ATOM 136 CA ARG A 10 4.194 9.706 7.199 1.00 52.34 C ATOM 137 C ARG A 10 3.795 9.204 5.829 1.00 13.53 C ATOM 138 O ARG A 10 3.949 9.916 4.835 1.00 41.12 O ATOM 139 CB ARG A 10 3.429 10.989 7.530 1.00 14.13 C ATOM 140 CG ARG A 10 1.921 10.809 7.489 1.00 13.22 C ATOM 141 CD ARG A 10 1.177 12.092 7.806 1.00 32.01 C ATOM 142 NE ARG A 10 -0.270 11.899 7.709 1.00 64.32 N ATOM 143 CZ ARG A 10 -1.171 12.883 7.656 1.00 41.41 C ATOM 144 NH1 ARG A 10 -0.788 14.149 7.718 1.00 61.44 N ATOM 145 NH2 ARG A 10 -2.461 12.594 7.547 1.00 65.12 N ATOM 0 H ARG A 10 5.939 10.781 6.786 1.00 3.33 H new ATOM 0 HA ARG A 10 3.938 8.962 7.954 1.00 52.34 H new ATOM 0 HB2 ARG A 10 3.721 11.334 8.522 1.00 14.13 H new ATOM 0 HB3 ARG A 10 3.716 11.769 6.824 1.00 14.13 H new ATOM 0 HG2 ARG A 10 1.627 10.456 6.501 1.00 13.22 H new ATOM 0 HG3 ARG A 10 1.630 10.038 8.202 1.00 13.22 H new ATOM 0 HD2 ARG A 10 1.436 12.428 8.810 1.00 32.01 H new ATOM 0 HD3 ARG A 10 1.489 12.877 7.117 1.00 32.01 H new ATOM 0 HE ARG A 10 -0.617 10.940 7.680 1.00 64.32 H new ATOM 0 HH11 ARG A 10 0.202 14.379 7.807 1.00 61.44 H new ATOM 0 HH12 ARG A 10 -1.483 14.895 7.677 1.00 61.44 H new ATOM 0 HH21 ARG A 10 -2.764 11.621 7.504 1.00 65.12 H new ATOM 0 HH22 ARG A 10 -3.150 13.345 7.506 1.00 65.12 H new ATOM 159 N CYS A 11 3.295 7.989 5.763 1.00 21.33 N ATOM 160 CA CYS A 11 2.937 7.404 4.486 1.00 33.44 C ATOM 161 C CYS A 11 1.612 6.651 4.547 1.00 22.25 C ATOM 162 O CYS A 11 1.250 6.070 5.578 1.00 4.25 O ATOM 163 CB CYS A 11 4.048 6.462 4.008 1.00 54.12 C ATOM 164 SG CYS A 11 5.678 7.239 3.887 1.00 75.34 S ATOM 0 H CYS A 11 3.128 7.390 6.571 1.00 21.33 H new ATOM 0 HA CYS A 11 2.817 8.224 3.777 1.00 33.44 H new ATOM 0 HB2 CYS A 11 4.111 5.616 4.692 1.00 54.12 H new ATOM 0 HB3 CYS A 11 3.775 6.062 3.031 1.00 54.12 H new ATOM 0 HG CYS A 11 6.438 6.533 3.103 1.00 75.34 H new ATOM 170 N SER A 12 0.897 6.686 3.443 1.00 14.32 N ATOM 171 CA SER A 12 -0.330 5.950 3.286 1.00 44.12 C ATOM 172 C SER A 12 -0.029 4.664 2.531 1.00 32.13 C ATOM 173 O SER A 12 1.013 4.559 1.871 1.00 33.14 O ATOM 174 CB SER A 12 -1.355 6.791 2.528 1.00 41.25 C ATOM 175 OG SER A 12 -1.566 8.037 3.167 1.00 40.44 O ATOM 0 H SER A 12 1.158 7.233 2.623 1.00 14.32 H new ATOM 0 HA SER A 12 -0.749 5.710 4.263 1.00 44.12 H new ATOM 0 HB2 SER A 12 -1.011 6.956 1.507 1.00 41.25 H new ATOM 0 HB3 SER A 12 -2.298 6.248 2.462 1.00 41.25 H new ATOM 0 HG SER A 12 -1.079 8.055 4.017 1.00 40.44 H new ATOM 181 N HIS A 13 -0.917 3.690 2.613 1.00 54.10 N ATOM 182 CA HIS A 13 -0.651 2.413 1.976 1.00 70.23 C ATOM 183 C HIS A 13 -1.899 1.791 1.369 1.00 31.22 C ATOM 184 O HIS A 13 -3.003 1.911 1.908 1.00 70.24 O ATOM 185 CB HIS A 13 -0.009 1.431 2.977 1.00 44.32 C ATOM 186 CG HIS A 13 -0.936 0.943 4.064 1.00 44.02 C ATOM 187 ND1 HIS A 13 -1.080 -0.388 4.386 1.00 54.41 N ATOM 188 CD2 HIS A 13 -1.759 1.616 4.900 1.00 11.00 C ATOM 189 CE1 HIS A 13 -1.951 -0.511 5.369 1.00 12.31 C ATOM 190 NE2 HIS A 13 -2.375 0.688 5.695 1.00 42.03 N ATOM 0 H HIS A 13 -1.809 3.754 3.103 1.00 54.10 H new ATOM 0 HA HIS A 13 0.045 2.610 1.160 1.00 70.23 H new ATOM 0 HB2 HIS A 13 0.370 0.569 2.428 1.00 44.32 H new ATOM 0 HB3 HIS A 13 0.850 1.916 3.441 1.00 44.32 H new ATOM 0 HD1 HIS A 13 -0.589 -1.160 3.934 1.00 54.41 H new ATOM 0 HD2 HIS A 13 -1.903 2.686 4.934 1.00 11.00 H new ATOM 0 HE1 HIS A 13 -2.262 -1.438 5.827 1.00 12.31 H new ATOM 199 N LEU A 14 -1.703 1.118 0.258 1.00 50.34 N ATOM 200 CA LEU A 14 -2.761 0.385 -0.401 1.00 30.42 C ATOM 201 C LEU A 14 -2.493 -1.094 -0.178 1.00 51.54 C ATOM 202 O LEU A 14 -1.500 -1.633 -0.666 1.00 4.14 O ATOM 203 CB LEU A 14 -2.778 0.723 -1.912 1.00 53.22 C ATOM 204 CG LEU A 14 -4.020 0.287 -2.730 1.00 12.13 C ATOM 205 CD1 LEU A 14 -4.080 -1.224 -2.911 1.00 23.13 C ATOM 206 CD2 LEU A 14 -5.296 0.798 -2.084 1.00 52.22 C ATOM 0 H LEU A 14 -0.802 1.063 -0.216 1.00 50.34 H new ATOM 0 HA LEU A 14 -3.736 0.655 0.005 1.00 30.42 H new ATOM 0 HB2 LEU A 14 -2.669 1.803 -2.016 1.00 53.22 H new ATOM 0 HB3 LEU A 14 -1.899 0.268 -2.368 1.00 53.22 H new ATOM 0 HG LEU A 14 -3.927 0.732 -3.721 1.00 12.13 H new ATOM 0 HD11 LEU A 14 -4.966 -1.486 -3.490 1.00 23.13 H new ATOM 0 HD12 LEU A 14 -3.188 -1.563 -3.439 1.00 23.13 H new ATOM 0 HD13 LEU A 14 -4.129 -1.706 -1.934 1.00 23.13 H new ATOM 0 HD21 LEU A 14 -6.155 0.480 -2.675 1.00 52.22 H new ATOM 0 HD22 LEU A 14 -5.380 0.394 -1.075 1.00 52.22 H new ATOM 0 HD23 LEU A 14 -5.270 1.887 -2.038 1.00 52.22 H new ATOM 218 N LEU A 15 -3.343 -1.728 0.599 1.00 2.34 N ATOM 219 CA LEU A 15 -3.167 -3.121 0.934 1.00 52.32 C ATOM 220 C LEU A 15 -4.120 -4.018 0.162 1.00 10.11 C ATOM 221 O LEU A 15 -5.314 -4.089 0.469 1.00 11.11 O ATOM 222 CB LEU A 15 -3.337 -3.329 2.449 1.00 24.21 C ATOM 223 CG LEU A 15 -3.351 -4.785 2.941 1.00 52.21 C ATOM 224 CD1 LEU A 15 -2.122 -5.527 2.470 1.00 40.41 C ATOM 225 CD2 LEU A 15 -3.439 -4.832 4.454 1.00 41.43 C ATOM 0 H LEU A 15 -4.169 -1.296 1.013 1.00 2.34 H new ATOM 0 HA LEU A 15 -2.154 -3.403 0.646 1.00 52.32 H new ATOM 0 HB2 LEU A 15 -2.529 -2.804 2.959 1.00 24.21 H new ATOM 0 HB3 LEU A 15 -4.269 -2.855 2.757 1.00 24.21 H new ATOM 0 HG LEU A 15 -4.230 -5.274 2.520 1.00 52.21 H new ATOM 0 HD11 LEU A 15 -2.157 -6.555 2.832 1.00 40.41 H new ATOM 0 HD12 LEU A 15 -2.092 -5.527 1.380 1.00 40.41 H new ATOM 0 HD13 LEU A 15 -1.230 -5.036 2.858 1.00 40.41 H new ATOM 0 HD21 LEU A 15 -3.448 -5.870 4.786 1.00 41.43 H new ATOM 0 HD22 LEU A 15 -2.578 -4.321 4.885 1.00 41.43 H new ATOM 0 HD23 LEU A 15 -4.355 -4.339 4.781 1.00 41.43 H new ATOM 237 N VAL A 16 -3.591 -4.684 -0.844 1.00 72.13 N ATOM 238 CA VAL A 16 -4.348 -5.655 -1.591 1.00 42.15 C ATOM 239 C VAL A 16 -3.774 -7.047 -1.327 1.00 12.42 C ATOM 240 O VAL A 16 -2.639 -7.362 -1.708 1.00 41.40 O ATOM 241 CB VAL A 16 -4.392 -5.339 -3.119 1.00 52.53 C ATOM 242 CG1 VAL A 16 -2.998 -5.245 -3.720 1.00 14.35 C ATOM 243 CG2 VAL A 16 -5.231 -6.374 -3.861 1.00 3.44 C ATOM 0 H VAL A 16 -2.629 -4.565 -1.162 1.00 72.13 H new ATOM 0 HA VAL A 16 -5.383 -5.615 -1.250 1.00 42.15 H new ATOM 0 HB VAL A 16 -4.862 -4.363 -3.235 1.00 52.53 H new ATOM 0 HG11 VAL A 16 -3.075 -5.024 -4.785 1.00 14.35 H new ATOM 0 HG12 VAL A 16 -2.441 -4.451 -3.224 1.00 14.35 H new ATOM 0 HG13 VAL A 16 -2.478 -6.193 -3.583 1.00 14.35 H new ATOM 0 HG21 VAL A 16 -5.248 -6.134 -4.924 1.00 3.44 H new ATOM 0 HG22 VAL A 16 -4.797 -7.364 -3.719 1.00 3.44 H new ATOM 0 HG23 VAL A 16 -6.249 -6.365 -3.471 1.00 3.44 H new ATOM 253 N LYS A 17 -4.537 -7.853 -0.629 1.00 61.42 N ATOM 254 CA LYS A 17 -4.101 -9.183 -0.259 1.00 54.04 C ATOM 255 C LYS A 17 -4.299 -10.156 -1.408 1.00 43.11 C ATOM 256 O LYS A 17 -4.752 -9.776 -2.490 1.00 32.51 O ATOM 257 CB LYS A 17 -4.855 -9.654 0.990 1.00 74.24 C ATOM 258 CG LYS A 17 -4.673 -8.729 2.184 1.00 52.53 C ATOM 259 CD LYS A 17 -5.673 -9.023 3.287 1.00 74.34 C ATOM 260 CE LYS A 17 -5.459 -8.098 4.474 1.00 24.54 C ATOM 261 NZ LYS A 17 -6.553 -8.200 5.464 1.00 0.40 N ATOM 0 H LYS A 17 -5.472 -7.610 -0.302 1.00 61.42 H new ATOM 0 HA LYS A 17 -3.036 -9.149 -0.031 1.00 54.04 H new ATOM 0 HB2 LYS A 17 -5.917 -9.732 0.758 1.00 74.24 H new ATOM 0 HB3 LYS A 17 -4.513 -10.654 1.258 1.00 74.24 H new ATOM 0 HG2 LYS A 17 -3.661 -8.835 2.574 1.00 52.53 H new ATOM 0 HG3 LYS A 17 -4.783 -7.694 1.861 1.00 52.53 H new ATOM 0 HD2 LYS A 17 -6.687 -8.903 2.906 1.00 74.34 H new ATOM 0 HD3 LYS A 17 -5.573 -10.060 3.607 1.00 74.34 H new ATOM 0 HE2 LYS A 17 -4.512 -8.340 4.955 1.00 24.54 H new ATOM 0 HE3 LYS A 17 -5.384 -7.069 4.122 1.00 24.54 H new ATOM 0 HZ1 LYS A 17 -6.185 -7.981 6.412 1.00 0.40 H new ATOM 0 HZ2 LYS A 17 -7.306 -7.525 5.221 1.00 0.40 H new ATOM 0 HZ3 LYS A 17 -6.939 -9.166 5.457 1.00 0.40 H new ATOM 275 N HIS A 18 -3.949 -11.397 -1.175 1.00 51.34 N ATOM 276 CA HIS A 18 -4.078 -12.438 -2.175 1.00 40.22 C ATOM 277 C HIS A 18 -4.206 -13.785 -1.508 1.00 44.33 C ATOM 278 O HIS A 18 -3.978 -13.902 -0.308 1.00 54.52 O ATOM 279 CB HIS A 18 -2.892 -12.426 -3.166 1.00 43.22 C ATOM 280 CG HIS A 18 -1.543 -12.140 -2.553 1.00 22.50 C ATOM 281 ND1 HIS A 18 -1.082 -12.732 -1.394 1.00 4.53 N ATOM 282 CD2 HIS A 18 -0.556 -11.304 -2.957 1.00 72.32 C ATOM 283 CE1 HIS A 18 0.123 -12.273 -1.120 1.00 3.34 C ATOM 284 NE2 HIS A 18 0.465 -11.409 -2.050 1.00 4.05 N ATOM 0 H HIS A 18 -3.565 -11.718 -0.286 1.00 51.34 H new ATOM 0 HA HIS A 18 -4.983 -12.242 -2.751 1.00 40.22 H new ATOM 0 HB2 HIS A 18 -2.848 -13.394 -3.666 1.00 43.22 H new ATOM 0 HB3 HIS A 18 -3.089 -11.679 -3.935 1.00 43.22 H new ATOM 0 HD1 HIS A 18 -1.593 -13.417 -0.837 1.00 4.53 H new ATOM 0 HD2 HIS A 18 -0.572 -10.672 -3.832 1.00 72.32 H new ATOM 0 HE1 HIS A 18 0.728 -12.559 -0.273 1.00 3.34 H new ATOM 293 N SER A 19 -4.562 -14.796 -2.283 1.00 5.24 N ATOM 294 CA SER A 19 -4.756 -16.143 -1.757 1.00 54.24 C ATOM 295 C SER A 19 -3.487 -16.693 -1.103 1.00 44.01 C ATOM 296 O SER A 19 -3.559 -17.448 -0.135 1.00 11.34 O ATOM 297 CB SER A 19 -5.222 -17.063 -2.870 1.00 63.02 C ATOM 298 OG SER A 19 -6.393 -16.545 -3.479 1.00 52.23 O ATOM 0 H SER A 19 -4.724 -14.711 -3.286 1.00 5.24 H new ATOM 0 HA SER A 19 -5.519 -16.093 -0.981 1.00 54.24 H new ATOM 0 HB2 SER A 19 -4.434 -17.172 -3.615 1.00 63.02 H new ATOM 0 HB3 SER A 19 -5.421 -18.057 -2.470 1.00 63.02 H new ATOM 0 HG SER A 19 -6.682 -17.147 -4.196 1.00 52.23 H new ATOM 304 N GLN A 20 -2.331 -16.307 -1.625 1.00 23.32 N ATOM 305 CA GLN A 20 -1.068 -16.759 -1.065 1.00 11.45 C ATOM 306 C GLN A 20 -0.696 -15.932 0.163 1.00 1.20 C ATOM 307 O GLN A 20 0.230 -15.123 0.126 1.00 72.21 O ATOM 308 CB GLN A 20 0.049 -16.695 -2.104 1.00 34.35 C ATOM 309 CG GLN A 20 -0.206 -17.526 -3.353 1.00 14.21 C ATOM 310 CD GLN A 20 -0.406 -18.998 -3.053 1.00 13.34 C ATOM 311 OE1 GLN A 20 -1.529 -19.458 -2.859 1.00 3.04 O ATOM 312 NE2 GLN A 20 0.676 -19.741 -3.008 1.00 23.54 N ATOM 0 H GLN A 20 -2.243 -15.686 -2.430 1.00 23.32 H new ATOM 0 HA GLN A 20 -1.192 -17.799 -0.761 1.00 11.45 H new ATOM 0 HB2 GLN A 20 0.196 -15.656 -2.398 1.00 34.35 H new ATOM 0 HB3 GLN A 20 0.978 -17.031 -1.642 1.00 34.35 H new ATOM 0 HG2 GLN A 20 -1.088 -17.142 -3.865 1.00 14.21 H new ATOM 0 HG3 GLN A 20 0.635 -17.411 -4.037 1.00 14.21 H new ATOM 0 HE21 GLN A 20 1.590 -19.321 -3.175 1.00 23.54 H new ATOM 0 HE22 GLN A 20 0.602 -20.738 -2.806 1.00 23.54 H new ATOM 321 N SER A 21 -1.447 -16.117 1.228 1.00 0.13 N ATOM 322 CA SER A 21 -1.221 -15.421 2.478 1.00 24.22 C ATOM 323 C SER A 21 -1.691 -16.291 3.636 1.00 65.11 C ATOM 324 O SER A 21 -2.375 -17.298 3.419 1.00 43.11 O ATOM 325 CB SER A 21 -1.971 -14.079 2.485 1.00 40.22 C ATOM 326 OG SER A 21 -1.503 -13.223 1.454 1.00 45.43 O ATOM 0 H SER A 21 -2.238 -16.760 1.251 1.00 0.13 H new ATOM 0 HA SER A 21 -0.155 -15.221 2.588 1.00 24.22 H new ATOM 0 HB2 SER A 21 -3.039 -14.256 2.357 1.00 40.22 H new ATOM 0 HB3 SER A 21 -1.842 -13.592 3.452 1.00 40.22 H new ATOM 0 HG SER A 21 -0.523 -13.216 1.454 1.00 45.43 H new ATOM 332 N ARG A 22 -1.332 -15.917 4.862 1.00 60.43 N ATOM 333 CA ARG A 22 -1.751 -16.686 6.031 1.00 10.43 C ATOM 334 C ARG A 22 -3.201 -16.375 6.388 1.00 54.41 C ATOM 335 O ARG A 22 -3.813 -17.066 7.200 1.00 42.25 O ATOM 336 CB ARG A 22 -0.831 -16.432 7.251 1.00 53.54 C ATOM 337 CG ARG A 22 -1.145 -15.166 8.059 1.00 72.41 C ATOM 338 CD ARG A 22 -0.634 -13.903 7.385 1.00 14.34 C ATOM 339 NE ARG A 22 -0.962 -12.702 8.162 1.00 72.03 N ATOM 340 CZ ARG A 22 -0.135 -11.662 8.344 1.00 60.20 C ATOM 341 NH1 ARG A 22 1.088 -11.673 7.821 1.00 31.40 N ATOM 342 NH2 ARG A 22 -0.533 -10.616 9.061 1.00 55.52 N ATOM 0 H ARG A 22 -0.760 -15.098 5.070 1.00 60.43 H new ATOM 0 HA ARG A 22 -1.669 -17.741 5.770 1.00 10.43 H new ATOM 0 HB2 ARG A 22 -0.893 -17.293 7.917 1.00 53.54 H new ATOM 0 HB3 ARG A 22 0.200 -16.373 6.901 1.00 53.54 H new ATOM 0 HG2 ARG A 22 -2.223 -15.088 8.201 1.00 72.41 H new ATOM 0 HG3 ARG A 22 -0.699 -15.251 9.050 1.00 72.41 H new ATOM 0 HD2 ARG A 22 0.446 -13.970 7.258 1.00 14.34 H new ATOM 0 HD3 ARG A 22 -1.068 -13.821 6.388 1.00 14.34 H new ATOM 0 HE ARG A 22 -1.885 -12.655 8.594 1.00 72.03 H new ATOM 0 HH11 ARG A 22 1.403 -12.476 7.277 1.00 31.40 H new ATOM 0 HH12 ARG A 22 1.711 -10.878 7.964 1.00 31.40 H new ATOM 0 HH21 ARG A 22 -1.466 -10.605 9.472 1.00 55.52 H new ATOM 0 HH22 ARG A 22 0.095 -9.824 9.200 1.00 55.52 H new ATOM 356 N ARG A 23 -3.738 -15.325 5.781 1.00 54.34 N ATOM 357 CA ARG A 23 -5.107 -14.914 6.025 1.00 32.22 C ATOM 358 C ARG A 23 -5.585 -13.971 4.917 1.00 74.15 C ATOM 359 O ARG A 23 -5.491 -12.751 5.043 1.00 31.14 O ATOM 360 CB ARG A 23 -5.224 -14.240 7.405 1.00 54.14 C ATOM 361 CG ARG A 23 -6.645 -13.870 7.818 1.00 54.52 C ATOM 362 CD ARG A 23 -7.572 -15.078 7.809 1.00 23.34 C ATOM 363 NE ARG A 23 -7.097 -16.168 8.663 1.00 20.44 N ATOM 364 CZ ARG A 23 -7.730 -17.339 8.798 1.00 53.43 C ATOM 365 NH1 ARG A 23 -8.876 -17.554 8.156 1.00 1.13 N ATOM 366 NH2 ARG A 23 -7.222 -18.289 9.572 1.00 63.32 N ATOM 0 H ARG A 23 -3.238 -14.740 5.111 1.00 54.34 H new ATOM 0 HA ARG A 23 -5.745 -15.798 6.020 1.00 32.22 H new ATOM 0 HB2 ARG A 23 -4.805 -14.908 8.157 1.00 54.14 H new ATOM 0 HB3 ARG A 23 -4.614 -13.337 7.405 1.00 54.14 H new ATOM 0 HG2 ARG A 23 -6.630 -13.431 8.816 1.00 54.52 H new ATOM 0 HG3 ARG A 23 -7.033 -13.109 7.141 1.00 54.52 H new ATOM 0 HD2 ARG A 23 -8.564 -14.771 8.139 1.00 23.34 H new ATOM 0 HD3 ARG A 23 -7.675 -15.443 6.787 1.00 23.34 H new ATOM 0 HE ARG A 23 -6.233 -16.026 9.186 1.00 20.44 H new ATOM 0 HH11 ARG A 23 -9.272 -16.826 7.561 1.00 1.13 H new ATOM 0 HH12 ARG A 23 -9.359 -18.447 8.259 1.00 1.13 H new ATOM 0 HH21 ARG A 23 -6.345 -18.128 10.068 1.00 63.32 H new ATOM 0 HH22 ARG A 23 -7.708 -19.180 9.672 1.00 63.32 H new ATOM 380 N PRO A 24 -6.073 -14.539 3.796 1.00 43.12 N ATOM 381 CA PRO A 24 -6.579 -13.760 2.655 1.00 35.23 C ATOM 382 C PRO A 24 -7.956 -13.160 2.935 1.00 54.12 C ATOM 383 O PRO A 24 -8.509 -12.422 2.110 1.00 11.11 O ATOM 384 CB PRO A 24 -6.672 -14.795 1.515 1.00 34.44 C ATOM 385 CG PRO A 24 -6.011 -16.033 2.040 1.00 15.12 C ATOM 386 CD PRO A 24 -6.145 -15.975 3.531 1.00 45.11 C ATOM 0 HA PRO A 24 -5.932 -12.914 2.425 1.00 35.23 H new ATOM 0 HB2 PRO A 24 -7.710 -14.989 1.246 1.00 34.44 H new ATOM 0 HB3 PRO A 24 -6.172 -14.434 0.616 1.00 34.44 H new ATOM 0 HG2 PRO A 24 -6.487 -16.928 1.640 1.00 15.12 H new ATOM 0 HG3 PRO A 24 -4.963 -16.070 1.744 1.00 15.12 H new ATOM 0 HD2 PRO A 24 -7.087 -16.404 3.871 1.00 45.11 H new ATOM 0 HD3 PRO A 24 -5.346 -16.521 4.032 1.00 45.11 H new ATOM 394 N SER A 25 -8.515 -13.502 4.093 1.00 54.04 N ATOM 395 CA SER A 25 -9.803 -12.985 4.516 1.00 21.21 C ATOM 396 C SER A 25 -9.762 -11.462 4.570 1.00 75.34 C ATOM 397 O SER A 25 -8.746 -10.872 4.961 1.00 13.10 O ATOM 398 CB SER A 25 -10.166 -13.557 5.882 1.00 42.31 C ATOM 399 OG SER A 25 -10.066 -14.976 5.874 1.00 73.02 O ATOM 0 H SER A 25 -8.085 -14.144 4.759 1.00 54.04 H new ATOM 0 HA SER A 25 -10.564 -13.286 3.796 1.00 21.21 H new ATOM 0 HB2 SER A 25 -9.503 -13.145 6.643 1.00 42.31 H new ATOM 0 HB3 SER A 25 -11.180 -13.260 6.149 1.00 42.31 H new ATOM 0 HG SER A 25 -10.450 -15.336 6.701 1.00 73.02 H new ATOM 405 N SER A 26 -10.844 -10.836 4.176 1.00 33.34 N ATOM 406 CA SER A 26 -10.898 -9.394 4.109 1.00 25.15 C ATOM 407 C SER A 26 -12.129 -8.865 4.831 1.00 13.23 C ATOM 408 O SER A 26 -12.979 -9.641 5.268 1.00 0.24 O ATOM 409 CB SER A 26 -10.929 -8.973 2.642 1.00 33.10 C ATOM 410 OG SER A 26 -9.883 -9.596 1.919 1.00 72.21 O ATOM 0 H SER A 26 -11.705 -11.305 3.895 1.00 33.34 H new ATOM 0 HA SER A 26 -10.018 -8.977 4.598 1.00 25.15 H new ATOM 0 HB2 SER A 26 -11.890 -9.240 2.203 1.00 33.10 H new ATOM 0 HB3 SER A 26 -10.834 -7.890 2.568 1.00 33.10 H new ATOM 0 HG SER A 26 -9.142 -8.965 1.806 1.00 72.21 H new ATOM 416 N TRP A 27 -12.215 -7.549 4.969 1.00 65.24 N ATOM 417 CA TRP A 27 -13.386 -6.928 5.560 1.00 74.33 C ATOM 418 C TRP A 27 -14.195 -6.227 4.478 1.00 2.11 C ATOM 419 O TRP A 27 -15.416 -6.133 4.565 1.00 75.15 O ATOM 420 CB TRP A 27 -13.020 -5.959 6.711 1.00 62.12 C ATOM 421 CG TRP A 27 -12.122 -4.814 6.327 1.00 23.14 C ATOM 422 CD1 TRP A 27 -10.766 -4.765 6.443 1.00 40.21 C ATOM 423 CD2 TRP A 27 -12.522 -3.544 5.784 1.00 33.44 C ATOM 424 NE1 TRP A 27 -10.297 -3.556 5.998 1.00 3.24 N ATOM 425 CE2 TRP A 27 -11.353 -2.790 5.587 1.00 74.13 C ATOM 426 CE3 TRP A 27 -13.754 -2.977 5.438 1.00 53.03 C ATOM 427 CZ2 TRP A 27 -11.375 -1.501 5.063 1.00 60.30 C ATOM 428 CZ3 TRP A 27 -13.773 -1.696 4.919 1.00 2.23 C ATOM 429 CH2 TRP A 27 -12.592 -0.972 4.736 1.00 53.10 C ATOM 0 H TRP A 27 -11.488 -6.895 4.680 1.00 65.24 H new ATOM 0 HA TRP A 27 -13.996 -7.713 6.007 1.00 74.33 H new ATOM 0 HB2 TRP A 27 -13.941 -5.552 7.128 1.00 62.12 H new ATOM 0 HB3 TRP A 27 -12.535 -6.529 7.504 1.00 62.12 H new ATOM 0 HD1 TRP A 27 -10.149 -5.563 6.830 1.00 40.21 H new ATOM 0 HE1 TRP A 27 -9.317 -3.273 5.977 1.00 3.24 H new ATOM 0 HE3 TRP A 27 -14.672 -3.530 5.574 1.00 53.03 H new ATOM 0 HZ2 TRP A 27 -10.464 -0.939 4.920 1.00 60.30 H new ATOM 0 HZ3 TRP A 27 -14.718 -1.247 4.650 1.00 2.23 H new ATOM 0 HH2 TRP A 27 -12.642 0.027 4.328 1.00 53.10 H new ATOM 440 N ARG A 28 -13.499 -5.744 3.448 1.00 23.41 N ATOM 441 CA ARG A 28 -14.163 -5.109 2.309 1.00 62.03 C ATOM 442 C ARG A 28 -14.763 -6.174 1.398 1.00 13.52 C ATOM 443 O ARG A 28 -15.740 -5.933 0.686 1.00 31.13 O ATOM 444 CB ARG A 28 -13.185 -4.227 1.523 1.00 50.23 C ATOM 445 CG ARG A 28 -11.877 -4.916 1.177 1.00 41.00 C ATOM 446 CD ARG A 28 -11.101 -4.151 0.124 1.00 14.43 C ATOM 447 NE ARG A 28 -11.750 -4.230 -1.188 1.00 13.12 N ATOM 448 CZ ARG A 28 -11.093 -4.326 -2.345 1.00 54.23 C ATOM 449 NH1 ARG A 28 -9.765 -4.299 -2.367 1.00 22.10 N ATOM 450 NH2 ARG A 28 -11.767 -4.438 -3.480 1.00 20.13 N ATOM 0 H ARG A 28 -12.482 -5.780 3.379 1.00 23.41 H new ATOM 0 HA ARG A 28 -14.961 -4.471 2.688 1.00 62.03 H new ATOM 0 HB2 ARG A 28 -13.667 -3.899 0.602 1.00 50.23 H new ATOM 0 HB3 ARG A 28 -12.970 -3.332 2.106 1.00 50.23 H new ATOM 0 HG2 ARG A 28 -11.269 -5.015 2.076 1.00 41.00 H new ATOM 0 HG3 ARG A 28 -12.081 -5.925 0.817 1.00 41.00 H new ATOM 0 HD2 ARG A 28 -11.012 -3.107 0.424 1.00 14.43 H new ATOM 0 HD3 ARG A 28 -10.089 -4.551 0.055 1.00 14.43 H new ATOM 0 HE ARG A 28 -12.769 -4.210 -1.218 1.00 13.12 H new ATOM 0 HH11 ARG A 28 -9.242 -4.204 -1.496 1.00 22.10 H new ATOM 0 HH12 ARG A 28 -9.268 -4.373 -3.255 1.00 22.10 H new ATOM 0 HH21 ARG A 28 -12.787 -4.451 -3.468 1.00 20.13 H new ATOM 0 HH22 ARG A 28 -11.266 -4.511 -4.365 1.00 20.13 H new ATOM 464 N GLN A 29 -14.160 -7.347 1.428 1.00 12.21 N ATOM 465 CA GLN A 29 -14.632 -8.489 0.670 1.00 0.42 C ATOM 466 C GLN A 29 -14.782 -9.658 1.619 1.00 62.31 C ATOM 467 O GLN A 29 -14.432 -9.546 2.789 1.00 74.23 O ATOM 468 CB GLN A 29 -13.643 -8.872 -0.444 1.00 51.44 C ATOM 469 CG GLN A 29 -13.298 -7.754 -1.418 1.00 53.23 C ATOM 470 CD GLN A 29 -12.520 -8.256 -2.631 1.00 41.14 C ATOM 471 OE1 GLN A 29 -11.802 -9.355 -2.467 1.00 34.31 O flip ATOM 472 NE2 GLN A 29 -12.578 -7.670 -3.708 1.00 14.25 N flip ATOM 0 H GLN A 29 -13.324 -7.535 1.982 1.00 12.21 H new ATOM 0 HA GLN A 29 -15.584 -8.233 0.204 1.00 0.42 H new ATOM 0 HB2 GLN A 29 -12.721 -9.228 0.017 1.00 51.44 H new ATOM 0 HB3 GLN A 29 -14.060 -9.707 -1.007 1.00 51.44 H new ATOM 0 HG2 GLN A 29 -14.216 -7.272 -1.753 1.00 53.23 H new ATOM 0 HG3 GLN A 29 -12.710 -6.995 -0.902 1.00 53.23 H new ATOM 0 HE21 GLN A 29 -13.142 -6.825 -3.799 1.00 14.25 H new ATOM 0 HE22 GLN A 29 -12.063 -8.028 -4.512 1.00 14.25 H new ATOM 481 N GLU A 30 -15.292 -10.769 1.133 1.00 64.24 N ATOM 482 CA GLU A 30 -15.407 -11.954 1.963 1.00 31.51 C ATOM 483 C GLU A 30 -14.021 -12.567 2.175 1.00 61.45 C ATOM 484 O GLU A 30 -13.650 -12.938 3.291 1.00 61.21 O ATOM 485 CB GLU A 30 -16.368 -12.970 1.325 1.00 30.30 C ATOM 486 CG GLU A 30 -15.980 -13.391 -0.082 1.00 22.21 C ATOM 487 CD GLU A 30 -16.969 -14.340 -0.705 1.00 21.43 C ATOM 488 OE1 GLU A 30 -17.880 -13.869 -1.413 1.00 0.41 O ATOM 489 OE2 GLU A 30 -16.838 -15.560 -0.506 1.00 42.15 O ATOM 0 H GLU A 30 -15.631 -10.879 0.177 1.00 64.24 H new ATOM 0 HA GLU A 30 -15.818 -11.674 2.933 1.00 31.51 H new ATOM 0 HB2 GLU A 30 -16.415 -13.856 1.958 1.00 30.30 H new ATOM 0 HB3 GLU A 30 -17.370 -12.541 1.301 1.00 30.30 H new ATOM 0 HG2 GLU A 30 -15.891 -12.504 -0.709 1.00 22.21 H new ATOM 0 HG3 GLU A 30 -14.998 -13.863 -0.056 1.00 22.21 H new ATOM 496 N LYS A 31 -13.262 -12.633 1.091 1.00 4.34 N ATOM 497 CA LYS A 31 -11.915 -13.162 1.092 1.00 21.10 C ATOM 498 C LYS A 31 -11.312 -12.961 -0.281 1.00 62.41 C ATOM 499 O LYS A 31 -11.936 -13.293 -1.287 1.00 71.43 O ATOM 500 CB LYS A 31 -11.914 -14.657 1.453 1.00 11.12 C ATOM 501 CG LYS A 31 -10.534 -15.296 1.449 1.00 61.50 C ATOM 502 CD LYS A 31 -10.558 -16.751 1.931 1.00 63.34 C ATOM 503 CE LYS A 31 -11.337 -17.674 0.988 1.00 13.32 C ATOM 504 NZ LYS A 31 -12.806 -17.638 1.230 1.00 44.42 N ATOM 0 H LYS A 31 -13.574 -12.314 0.174 1.00 4.34 H new ATOM 0 HA LYS A 31 -11.324 -12.635 1.841 1.00 21.10 H new ATOM 0 HB2 LYS A 31 -12.357 -14.781 2.441 1.00 11.12 H new ATOM 0 HB3 LYS A 31 -12.552 -15.190 0.748 1.00 11.12 H new ATOM 0 HG2 LYS A 31 -10.123 -15.258 0.440 1.00 61.50 H new ATOM 0 HG3 LYS A 31 -9.867 -14.716 2.087 1.00 61.50 H new ATOM 0 HD2 LYS A 31 -9.535 -17.115 2.026 1.00 63.34 H new ATOM 0 HD3 LYS A 31 -11.004 -16.793 2.924 1.00 63.34 H new ATOM 0 HE2 LYS A 31 -11.136 -17.385 -0.044 1.00 13.32 H new ATOM 0 HE3 LYS A 31 -10.978 -18.696 1.109 1.00 13.32 H new ATOM 0 HZ1 LYS A 31 -13.162 -18.608 1.351 1.00 44.42 H new ATOM 0 HZ2 LYS A 31 -13.003 -17.088 2.090 1.00 44.42 H new ATOM 0 HZ3 LYS A 31 -13.281 -17.194 0.418 1.00 44.42 H new ATOM 518 N ILE A 32 -10.123 -12.402 -0.331 1.00 20.32 N ATOM 519 CA ILE A 32 -9.470 -12.164 -1.598 1.00 1.41 C ATOM 520 C ILE A 32 -8.931 -13.473 -2.179 1.00 70.12 C ATOM 521 O ILE A 32 -7.903 -13.998 -1.745 1.00 74.21 O ATOM 522 CB ILE A 32 -8.347 -11.105 -1.480 1.00 73.23 C ATOM 523 CG1 ILE A 32 -8.946 -9.764 -1.029 1.00 1.33 C ATOM 524 CG2 ILE A 32 -7.635 -10.946 -2.806 1.00 64.43 C ATOM 525 CD1 ILE A 32 -7.959 -8.615 -0.988 1.00 4.51 C ATOM 0 H ILE A 32 -9.591 -12.105 0.487 1.00 20.32 H new ATOM 0 HA ILE A 32 -10.217 -11.763 -2.283 1.00 1.41 H new ATOM 0 HB ILE A 32 -7.621 -11.436 -0.738 1.00 73.23 H new ATOM 0 HG12 ILE A 32 -9.762 -9.501 -1.702 1.00 1.33 H new ATOM 0 HG13 ILE A 32 -9.379 -9.890 -0.037 1.00 1.33 H new ATOM 0 HG21 ILE A 32 -6.848 -10.198 -2.709 1.00 64.43 H new ATOM 0 HG22 ILE A 32 -7.196 -11.899 -3.100 1.00 64.43 H new ATOM 0 HG23 ILE A 32 -8.348 -10.626 -3.566 1.00 64.43 H new ATOM 0 HD11 ILE A 32 -8.469 -7.709 -0.659 1.00 4.51 H new ATOM 0 HD12 ILE A 32 -7.154 -8.851 -0.292 1.00 4.51 H new ATOM 0 HD13 ILE A 32 -7.543 -8.457 -1.983 1.00 4.51 H new ATOM 537 N THR A 33 -9.650 -13.995 -3.154 1.00 63.23 N ATOM 538 CA THR A 33 -9.320 -15.266 -3.768 1.00 65.31 C ATOM 539 C THR A 33 -8.595 -15.085 -5.101 1.00 63.55 C ATOM 540 O THR A 33 -8.604 -15.977 -5.951 1.00 22.11 O ATOM 541 CB THR A 33 -10.595 -16.095 -3.989 1.00 41.03 C ATOM 542 OG1 THR A 33 -11.610 -15.266 -4.576 1.00 12.33 O ATOM 543 CG2 THR A 33 -11.100 -16.664 -2.673 1.00 65.01 C ATOM 0 H THR A 33 -10.481 -13.549 -3.543 1.00 63.23 H new ATOM 0 HA THR A 33 -8.650 -15.790 -3.087 1.00 65.31 H new ATOM 0 HB THR A 33 -10.362 -16.923 -4.659 1.00 41.03 H new ATOM 0 HG1 THR A 33 -12.423 -15.795 -4.719 1.00 12.33 H new ATOM 0 HG21 THR A 33 -12.003 -17.247 -2.852 1.00 65.01 H new ATOM 0 HG22 THR A 33 -10.334 -17.305 -2.236 1.00 65.01 H new ATOM 0 HG23 THR A 33 -11.325 -15.848 -1.986 1.00 65.01 H new ATOM 551 N ARG A 34 -7.966 -13.942 -5.282 1.00 52.50 N ATOM 552 CA ARG A 34 -7.224 -13.687 -6.502 1.00 53.11 C ATOM 553 C ARG A 34 -5.737 -13.924 -6.281 1.00 44.25 C ATOM 554 O ARG A 34 -5.234 -13.798 -5.156 1.00 53.34 O ATOM 555 CB ARG A 34 -7.486 -12.272 -7.024 1.00 5.04 C ATOM 556 CG ARG A 34 -7.047 -11.165 -6.088 1.00 11.54 C ATOM 557 CD ARG A 34 -7.491 -9.801 -6.594 1.00 64.21 C ATOM 558 NE ARG A 34 -8.934 -9.759 -6.858 1.00 64.11 N ATOM 559 CZ ARG A 34 -9.779 -8.842 -6.372 1.00 11.14 C ATOM 560 NH1 ARG A 34 -9.341 -7.885 -5.556 1.00 21.04 N ATOM 561 NH2 ARG A 34 -11.065 -8.888 -6.701 1.00 23.40 N ATOM 0 H ARG A 34 -7.953 -13.179 -4.606 1.00 52.50 H new ATOM 0 HA ARG A 34 -7.571 -14.386 -7.263 1.00 53.11 H new ATOM 0 HB2 ARG A 34 -6.972 -12.149 -7.977 1.00 5.04 H new ATOM 0 HB3 ARG A 34 -8.553 -12.163 -7.220 1.00 5.04 H new ATOM 0 HG2 ARG A 34 -7.463 -11.339 -5.096 1.00 11.54 H new ATOM 0 HG3 ARG A 34 -5.962 -11.181 -5.986 1.00 11.54 H new ATOM 0 HD2 ARG A 34 -7.234 -9.039 -5.858 1.00 64.21 H new ATOM 0 HD3 ARG A 34 -6.948 -9.558 -7.507 1.00 64.21 H new ATOM 0 HE ARG A 34 -9.323 -10.485 -7.459 1.00 64.11 H new ATOM 0 HH11 ARG A 34 -8.355 -7.847 -5.297 1.00 21.04 H new ATOM 0 HH12 ARG A 34 -9.991 -7.190 -5.190 1.00 21.04 H new ATOM 0 HH21 ARG A 34 -11.406 -9.621 -7.323 1.00 23.40 H new ATOM 0 HH22 ARG A 34 -11.711 -8.190 -6.332 1.00 23.40 H new ATOM 575 N THR A 35 -5.044 -14.276 -7.344 1.00 53.24 N ATOM 576 CA THR A 35 -3.627 -14.567 -7.272 1.00 12.33 C ATOM 577 C THR A 35 -2.781 -13.285 -7.412 1.00 61.14 C ATOM 578 O THR A 35 -3.320 -12.178 -7.555 1.00 43.32 O ATOM 579 CB THR A 35 -3.223 -15.602 -8.360 1.00 11.31 C ATOM 580 OG1 THR A 35 -1.858 -16.018 -8.185 1.00 13.24 O ATOM 581 CG2 THR A 35 -3.409 -15.025 -9.759 1.00 32.24 C ATOM 0 H THR A 35 -5.444 -14.368 -8.278 1.00 53.24 H new ATOM 0 HA THR A 35 -3.428 -14.996 -6.290 1.00 12.33 H new ATOM 0 HB THR A 35 -3.875 -16.469 -8.250 1.00 11.31 H new ATOM 0 HG1 THR A 35 -1.623 -16.670 -8.878 1.00 13.24 H new ATOM 0 HG21 THR A 35 -3.119 -15.769 -10.501 1.00 32.24 H new ATOM 0 HG22 THR A 35 -4.455 -14.755 -9.905 1.00 32.24 H new ATOM 0 HG23 THR A 35 -2.786 -14.138 -9.872 1.00 32.24 H new ATOM 589 N LYS A 36 -1.460 -13.458 -7.369 1.00 33.24 N ATOM 590 CA LYS A 36 -0.501 -12.361 -7.468 1.00 4.34 C ATOM 591 C LYS A 36 -0.709 -11.562 -8.756 1.00 62.03 C ATOM 592 O LYS A 36 -0.719 -10.329 -8.733 1.00 32.22 O ATOM 593 CB LYS A 36 0.936 -12.931 -7.397 1.00 33.24 C ATOM 594 CG LYS A 36 2.062 -11.894 -7.402 1.00 2.13 C ATOM 595 CD LYS A 36 2.418 -11.446 -8.814 1.00 62.33 C ATOM 596 CE LYS A 36 3.575 -10.465 -8.813 1.00 44.14 C ATOM 597 NZ LYS A 36 4.826 -11.075 -8.289 1.00 65.11 N ATOM 0 H LYS A 36 -1.023 -14.373 -7.263 1.00 33.24 H new ATOM 0 HA LYS A 36 -0.657 -11.677 -6.634 1.00 4.34 H new ATOM 0 HB2 LYS A 36 1.024 -13.532 -6.492 1.00 33.24 H new ATOM 0 HB3 LYS A 36 1.083 -13.604 -8.242 1.00 33.24 H new ATOM 0 HG2 LYS A 36 1.761 -11.028 -6.812 1.00 2.13 H new ATOM 0 HG3 LYS A 36 2.945 -12.315 -6.922 1.00 2.13 H new ATOM 0 HD2 LYS A 36 2.678 -12.316 -9.418 1.00 62.33 H new ATOM 0 HD3 LYS A 36 1.548 -10.983 -9.280 1.00 62.33 H new ATOM 0 HE2 LYS A 36 3.745 -10.105 -9.828 1.00 44.14 H new ATOM 0 HE3 LYS A 36 3.314 -9.598 -8.207 1.00 44.14 H new ATOM 0 HZ1 LYS A 36 5.634 -10.463 -8.522 1.00 65.11 H new ATOM 0 HZ2 LYS A 36 4.756 -11.178 -7.257 1.00 65.11 H new ATOM 0 HZ3 LYS A 36 4.964 -12.010 -8.722 1.00 65.11 H new ATOM 611 N GLU A 37 -0.873 -12.271 -9.869 1.00 24.32 N ATOM 612 CA GLU A 37 -1.078 -11.639 -11.172 1.00 1.54 C ATOM 613 C GLU A 37 -2.266 -10.678 -11.135 1.00 5.31 C ATOM 614 O GLU A 37 -2.176 -9.546 -11.612 1.00 10.42 O ATOM 615 CB GLU A 37 -1.303 -12.706 -12.240 1.00 42.44 C ATOM 616 CG GLU A 37 -1.517 -12.148 -13.632 1.00 5.42 C ATOM 617 CD GLU A 37 -1.815 -13.226 -14.639 1.00 54.23 C ATOM 618 OE1 GLU A 37 -2.971 -13.710 -14.676 1.00 71.12 O ATOM 619 OE2 GLU A 37 -0.901 -13.604 -15.400 1.00 4.21 O ATOM 0 H GLU A 37 -0.868 -13.291 -9.896 1.00 24.32 H new ATOM 0 HA GLU A 37 -0.184 -11.066 -11.418 1.00 1.54 H new ATOM 0 HB2 GLU A 37 -0.444 -13.376 -12.256 1.00 42.44 H new ATOM 0 HB3 GLU A 37 -2.170 -13.306 -11.963 1.00 42.44 H new ATOM 0 HG2 GLU A 37 -2.341 -11.434 -13.612 1.00 5.42 H new ATOM 0 HG3 GLU A 37 -0.627 -11.600 -13.942 1.00 5.42 H new ATOM 626 N GLU A 38 -3.363 -11.139 -10.552 1.00 71.41 N ATOM 627 CA GLU A 38 -4.582 -10.347 -10.435 1.00 41.32 C ATOM 628 C GLU A 38 -4.331 -9.076 -9.639 1.00 30.12 C ATOM 629 O GLU A 38 -4.700 -7.984 -10.064 1.00 72.43 O ATOM 630 CB GLU A 38 -5.661 -11.168 -9.752 1.00 44.30 C ATOM 631 CG GLU A 38 -6.136 -12.356 -10.562 1.00 22.32 C ATOM 632 CD GLU A 38 -7.096 -11.961 -11.659 1.00 25.11 C ATOM 633 OE1 GLU A 38 -8.315 -12.185 -11.487 1.00 52.24 O ATOM 634 OE2 GLU A 38 -6.645 -11.422 -12.687 1.00 43.25 O ATOM 0 H GLU A 38 -3.435 -12.072 -10.146 1.00 71.41 H new ATOM 0 HA GLU A 38 -4.908 -10.069 -11.437 1.00 41.32 H new ATOM 0 HB2 GLU A 38 -5.281 -11.523 -8.794 1.00 44.30 H new ATOM 0 HB3 GLU A 38 -6.513 -10.523 -9.538 1.00 44.30 H new ATOM 0 HG2 GLU A 38 -5.275 -12.860 -11.001 1.00 22.32 H new ATOM 0 HG3 GLU A 38 -6.621 -13.073 -9.900 1.00 22.32 H new ATOM 641 N ALA A 39 -3.695 -9.230 -8.485 1.00 25.30 N ATOM 642 CA ALA A 39 -3.388 -8.098 -7.625 1.00 72.31 C ATOM 643 C ALA A 39 -2.482 -7.104 -8.342 1.00 10.53 C ATOM 644 O ALA A 39 -2.677 -5.894 -8.248 1.00 15.40 O ATOM 645 CB ALA A 39 -2.746 -8.576 -6.331 1.00 61.54 C ATOM 0 H ALA A 39 -3.382 -10.131 -8.123 1.00 25.30 H new ATOM 0 HA ALA A 39 -4.320 -7.588 -7.380 1.00 72.31 H new ATOM 0 HB1 ALA A 39 -2.522 -7.718 -5.697 1.00 61.54 H new ATOM 0 HB2 ALA A 39 -3.432 -9.243 -5.809 1.00 61.54 H new ATOM 0 HB3 ALA A 39 -1.823 -9.110 -6.558 1.00 61.54 H new ATOM 651 N LEU A 40 -1.505 -7.627 -9.076 1.00 55.31 N ATOM 652 CA LEU A 40 -0.568 -6.794 -9.823 1.00 21.35 C ATOM 653 C LEU A 40 -1.318 -5.980 -10.884 1.00 20.02 C ATOM 654 O LEU A 40 -1.041 -4.792 -11.082 1.00 53.12 O ATOM 655 CB LEU A 40 0.529 -7.682 -10.460 1.00 64.03 C ATOM 656 CG LEU A 40 1.814 -6.977 -10.959 1.00 41.44 C ATOM 657 CD1 LEU A 40 1.587 -6.266 -12.281 1.00 71.24 C ATOM 658 CD2 LEU A 40 2.332 -6.000 -9.914 1.00 74.43 C ATOM 0 H LEU A 40 -1.341 -8.629 -9.170 1.00 55.31 H new ATOM 0 HA LEU A 40 -0.084 -6.091 -9.145 1.00 21.35 H new ATOM 0 HB2 LEU A 40 0.820 -8.435 -9.728 1.00 64.03 H new ATOM 0 HB3 LEU A 40 0.086 -8.212 -11.303 1.00 64.03 H new ATOM 0 HG LEU A 40 2.567 -7.749 -11.122 1.00 41.44 H new ATOM 0 HD11 LEU A 40 2.512 -5.784 -12.598 1.00 71.24 H new ATOM 0 HD12 LEU A 40 1.278 -6.990 -13.035 1.00 71.24 H new ATOM 0 HD13 LEU A 40 0.808 -5.513 -12.160 1.00 71.24 H new ATOM 0 HD21 LEU A 40 3.235 -5.516 -10.285 1.00 74.43 H new ATOM 0 HD22 LEU A 40 1.572 -5.245 -9.713 1.00 74.43 H new ATOM 0 HD23 LEU A 40 2.561 -6.538 -8.994 1.00 74.43 H new ATOM 670 N GLU A 41 -2.281 -6.621 -11.547 1.00 14.12 N ATOM 671 CA GLU A 41 -3.109 -5.952 -12.552 1.00 65.03 C ATOM 672 C GLU A 41 -3.863 -4.790 -11.928 1.00 73.34 C ATOM 673 O GLU A 41 -3.970 -3.709 -12.517 1.00 15.30 O ATOM 674 CB GLU A 41 -4.106 -6.936 -13.168 1.00 33.32 C ATOM 675 CG GLU A 41 -3.475 -7.973 -14.072 1.00 52.53 C ATOM 676 CD GLU A 41 -2.848 -7.355 -15.299 1.00 34.42 C ATOM 677 OE1 GLU A 41 -1.657 -6.992 -15.249 1.00 51.20 O ATOM 678 OE2 GLU A 41 -3.549 -7.218 -16.322 1.00 30.24 O ATOM 0 H GLU A 41 -2.508 -7.605 -11.406 1.00 14.12 H new ATOM 0 HA GLU A 41 -2.452 -5.574 -13.336 1.00 65.03 H new ATOM 0 HB2 GLU A 41 -4.639 -7.446 -12.366 1.00 33.32 H new ATOM 0 HB3 GLU A 41 -4.847 -6.376 -13.738 1.00 33.32 H new ATOM 0 HG2 GLU A 41 -2.716 -8.523 -13.516 1.00 52.53 H new ATOM 0 HG3 GLU A 41 -4.232 -8.695 -14.378 1.00 52.53 H new ATOM 685 N LEU A 42 -4.382 -5.019 -10.731 1.00 65.51 N ATOM 686 CA LEU A 42 -5.120 -4.001 -10.006 1.00 42.45 C ATOM 687 C LEU A 42 -4.216 -2.830 -9.667 1.00 74.53 C ATOM 688 O LEU A 42 -4.599 -1.673 -9.839 1.00 55.32 O ATOM 689 CB LEU A 42 -5.722 -4.586 -8.729 1.00 2.32 C ATOM 690 CG LEU A 42 -6.618 -5.810 -8.917 1.00 73.24 C ATOM 691 CD1 LEU A 42 -7.187 -6.261 -7.590 1.00 73.15 C ATOM 692 CD2 LEU A 42 -7.731 -5.517 -9.907 1.00 2.13 C ATOM 0 H LEU A 42 -4.303 -5.909 -10.240 1.00 65.51 H new ATOM 0 HA LEU A 42 -5.929 -3.645 -10.643 1.00 42.45 H new ATOM 0 HB2 LEU A 42 -4.908 -4.855 -8.056 1.00 2.32 H new ATOM 0 HB3 LEU A 42 -6.302 -3.807 -8.233 1.00 2.32 H new ATOM 0 HG LEU A 42 -6.010 -6.619 -9.322 1.00 73.24 H new ATOM 0 HD11 LEU A 42 -7.822 -7.133 -7.744 1.00 73.15 H new ATOM 0 HD12 LEU A 42 -6.372 -6.520 -6.914 1.00 73.15 H new ATOM 0 HD13 LEU A 42 -7.777 -5.455 -7.154 1.00 73.15 H new ATOM 0 HD21 LEU A 42 -8.356 -6.402 -10.025 1.00 2.13 H new ATOM 0 HD22 LEU A 42 -8.338 -4.691 -9.537 1.00 2.13 H new ATOM 0 HD23 LEU A 42 -7.299 -5.247 -10.871 1.00 2.13 H new ATOM 704 N ILE A 43 -3.008 -3.143 -9.194 1.00 44.25 N ATOM 705 CA ILE A 43 -2.021 -2.123 -8.846 1.00 12.21 C ATOM 706 C ILE A 43 -1.781 -1.196 -10.028 1.00 75.32 C ATOM 707 O ILE A 43 -1.803 0.030 -9.884 1.00 52.55 O ATOM 708 CB ILE A 43 -0.671 -2.755 -8.415 1.00 21.35 C ATOM 709 CG1 ILE A 43 -0.858 -3.660 -7.191 1.00 10.33 C ATOM 710 CG2 ILE A 43 0.369 -1.677 -8.130 1.00 31.14 C ATOM 711 CD1 ILE A 43 -1.410 -2.949 -5.974 1.00 35.22 C ATOM 0 H ILE A 43 -2.690 -4.100 -9.043 1.00 44.25 H new ATOM 0 HA ILE A 43 -2.423 -1.558 -8.005 1.00 12.21 H new ATOM 0 HB ILE A 43 -0.309 -3.367 -9.241 1.00 21.35 H new ATOM 0 HG12 ILE A 43 -1.529 -4.477 -7.456 1.00 10.33 H new ATOM 0 HG13 ILE A 43 0.102 -4.107 -6.933 1.00 10.33 H new ATOM 0 HG21 ILE A 43 1.306 -2.146 -7.830 1.00 31.14 H new ATOM 0 HG22 ILE A 43 0.532 -1.082 -9.029 1.00 31.14 H new ATOM 0 HG23 ILE A 43 0.013 -1.031 -7.327 1.00 31.14 H new ATOM 0 HD11 ILE A 43 -1.512 -3.659 -5.153 1.00 35.22 H new ATOM 0 HD12 ILE A 43 -0.730 -2.150 -5.680 1.00 35.22 H new ATOM 0 HD13 ILE A 43 -2.386 -2.526 -6.211 1.00 35.22 H new ATOM 723 N ASN A 44 -1.573 -1.790 -11.198 1.00 42.41 N ATOM 724 CA ASN A 44 -1.361 -1.027 -12.420 1.00 71.23 C ATOM 725 C ASN A 44 -2.550 -0.127 -12.684 1.00 10.14 C ATOM 726 O ASN A 44 -2.393 1.057 -12.968 1.00 42.21 O ATOM 727 CB ASN A 44 -1.148 -1.955 -13.622 1.00 71.20 C ATOM 728 CG ASN A 44 0.106 -2.794 -13.512 1.00 54.13 C ATOM 729 OD1 ASN A 44 1.093 -2.389 -12.887 1.00 15.34 O ATOM 730 ND2 ASN A 44 0.086 -3.962 -14.126 1.00 65.34 N ATOM 0 H ASN A 44 -1.547 -2.802 -11.325 1.00 42.41 H new ATOM 0 HA ASN A 44 -0.465 -0.422 -12.285 1.00 71.23 H new ATOM 0 HB2 ASN A 44 -2.011 -2.614 -13.722 1.00 71.20 H new ATOM 0 HB3 ASN A 44 -1.098 -1.356 -14.531 1.00 71.20 H new ATOM 0 HD21 ASN A 44 0.906 -4.568 -14.096 1.00 65.34 H new ATOM 0 HD22 ASN A 44 -0.749 -4.259 -14.631 1.00 65.34 H new ATOM 737 N GLY A 45 -3.743 -0.699 -12.556 1.00 62.25 N ATOM 738 CA GLY A 45 -4.962 0.043 -12.789 1.00 52.42 C ATOM 739 C GLY A 45 -5.077 1.269 -11.913 1.00 64.35 C ATOM 740 O GLY A 45 -5.510 2.329 -12.374 1.00 3.54 O ATOM 0 H GLY A 45 -3.884 -1.674 -12.292 1.00 62.25 H new ATOM 0 HA2 GLY A 45 -5.004 0.344 -13.836 1.00 52.42 H new ATOM 0 HA3 GLY A 45 -5.818 -0.608 -12.610 1.00 52.42 H new ATOM 744 N TYR A 46 -4.680 1.134 -10.657 1.00 61.23 N ATOM 745 CA TYR A 46 -4.736 2.243 -9.721 1.00 14.40 C ATOM 746 C TYR A 46 -3.692 3.294 -10.075 1.00 31.10 C ATOM 747 O TYR A 46 -4.012 4.476 -10.192 1.00 44.42 O ATOM 748 CB TYR A 46 -4.531 1.759 -8.277 1.00 51.33 C ATOM 749 CG TYR A 46 -5.519 0.697 -7.840 1.00 51.32 C ATOM 750 CD1 TYR A 46 -6.865 0.783 -8.182 1.00 5.45 C ATOM 751 CD2 TYR A 46 -5.104 -0.396 -7.088 1.00 52.15 C ATOM 752 CE1 TYR A 46 -7.763 -0.188 -7.793 1.00 33.12 C ATOM 753 CE2 TYR A 46 -6.000 -1.371 -6.693 1.00 35.14 C ATOM 754 CZ TYR A 46 -7.327 -1.263 -7.050 1.00 3.42 C ATOM 755 OH TYR A 46 -8.221 -2.237 -6.668 1.00 63.32 O ATOM 0 H TYR A 46 -4.316 0.266 -10.263 1.00 61.23 H new ATOM 0 HA TYR A 46 -5.727 2.692 -9.794 1.00 14.40 H new ATOM 0 HB2 TYR A 46 -3.520 1.364 -8.176 1.00 51.33 H new ATOM 0 HB3 TYR A 46 -4.608 2.613 -7.604 1.00 51.33 H new ATOM 0 HD1 TYR A 46 -7.212 1.625 -8.762 1.00 5.45 H new ATOM 0 HD2 TYR A 46 -4.065 -0.485 -6.808 1.00 52.15 H new ATOM 0 HE1 TYR A 46 -8.804 -0.106 -8.070 1.00 33.12 H new ATOM 0 HE2 TYR A 46 -5.662 -2.213 -6.108 1.00 35.14 H new ATOM 0 HH TYR A 46 -8.884 -1.851 -6.058 1.00 63.32 H new ATOM 765 N ILE A 47 -2.451 2.849 -10.275 1.00 40.24 N ATOM 766 CA ILE A 47 -1.345 3.752 -10.605 1.00 40.41 C ATOM 767 C ILE A 47 -1.648 4.578 -11.857 1.00 1.05 C ATOM 768 O ILE A 47 -1.438 5.797 -11.870 1.00 41.33 O ATOM 769 CB ILE A 47 -0.011 2.978 -10.798 1.00 35.25 C ATOM 770 CG1 ILE A 47 0.399 2.292 -9.488 1.00 23.42 C ATOM 771 CG2 ILE A 47 1.096 3.915 -11.280 1.00 43.53 C ATOM 772 CD1 ILE A 47 1.677 1.484 -9.591 1.00 41.21 C ATOM 0 H ILE A 47 -2.185 1.866 -10.214 1.00 40.24 H new ATOM 0 HA ILE A 47 -1.234 4.430 -9.759 1.00 40.41 H new ATOM 0 HB ILE A 47 -0.164 2.214 -11.560 1.00 35.25 H new ATOM 0 HG12 ILE A 47 0.522 3.051 -8.715 1.00 23.42 H new ATOM 0 HG13 ILE A 47 -0.409 1.636 -9.165 1.00 23.42 H new ATOM 0 HG21 ILE A 47 2.020 3.351 -11.408 1.00 43.53 H new ATOM 0 HG22 ILE A 47 0.807 4.360 -12.232 1.00 43.53 H new ATOM 0 HG23 ILE A 47 1.251 4.704 -10.544 1.00 43.53 H new ATOM 0 HD11 ILE A 47 1.900 1.031 -8.625 1.00 41.21 H new ATOM 0 HD12 ILE A 47 1.553 0.701 -10.339 1.00 41.21 H new ATOM 0 HD13 ILE A 47 2.499 2.138 -9.883 1.00 41.21 H new ATOM 784 N GLN A 48 -2.158 3.917 -12.901 1.00 44.33 N ATOM 785 CA GLN A 48 -2.500 4.597 -14.152 1.00 35.11 C ATOM 786 C GLN A 48 -3.480 5.734 -13.898 1.00 53.44 C ATOM 787 O GLN A 48 -3.315 6.835 -14.421 1.00 74.30 O ATOM 788 CB GLN A 48 -3.101 3.616 -15.164 1.00 64.31 C ATOM 789 CG GLN A 48 -2.164 2.494 -15.581 1.00 2.11 C ATOM 790 CD GLN A 48 -2.824 1.488 -16.512 1.00 43.03 C ATOM 791 OE1 GLN A 48 -2.509 0.300 -16.483 1.00 60.14 O ATOM 792 NE2 GLN A 48 -3.728 1.954 -17.351 1.00 31.15 N ATOM 0 H GLN A 48 -2.342 2.914 -12.904 1.00 44.33 H new ATOM 0 HA GLN A 48 -1.579 5.008 -14.566 1.00 35.11 H new ATOM 0 HB2 GLN A 48 -4.004 3.180 -14.737 1.00 64.31 H new ATOM 0 HB3 GLN A 48 -3.404 4.169 -16.053 1.00 64.31 H new ATOM 0 HG2 GLN A 48 -1.291 2.921 -16.075 1.00 2.11 H new ATOM 0 HG3 GLN A 48 -1.805 1.977 -14.691 1.00 2.11 H new ATOM 0 HE21 GLN A 48 -3.964 2.946 -17.347 1.00 31.15 H new ATOM 0 HE22 GLN A 48 -4.191 1.322 -18.004 1.00 31.15 H new ATOM 801 N LYS A 49 -4.487 5.463 -13.073 1.00 34.35 N ATOM 802 CA LYS A 49 -5.509 6.451 -12.749 1.00 12.43 C ATOM 803 C LYS A 49 -4.944 7.572 -11.877 1.00 2.21 C ATOM 804 O LYS A 49 -5.239 8.747 -12.099 1.00 21.25 O ATOM 805 CB LYS A 49 -6.697 5.788 -12.049 1.00 42.44 C ATOM 806 CG LYS A 49 -7.500 4.853 -12.941 1.00 12.23 C ATOM 807 CD LYS A 49 -8.652 4.215 -12.181 1.00 51.43 C ATOM 808 CE LYS A 49 -9.498 3.335 -13.085 1.00 14.34 C ATOM 809 NZ LYS A 49 -10.614 2.689 -12.345 1.00 41.35 N ATOM 0 H LYS A 49 -4.617 4.561 -12.614 1.00 34.35 H new ATOM 0 HA LYS A 49 -5.851 6.890 -13.686 1.00 12.43 H new ATOM 0 HB2 LYS A 49 -6.331 5.227 -11.189 1.00 42.44 H new ATOM 0 HB3 LYS A 49 -7.359 6.565 -11.666 1.00 42.44 H new ATOM 0 HG2 LYS A 49 -7.888 5.407 -13.795 1.00 12.23 H new ATOM 0 HG3 LYS A 49 -6.847 4.075 -13.336 1.00 12.23 H new ATOM 0 HD2 LYS A 49 -8.260 3.620 -11.356 1.00 51.43 H new ATOM 0 HD3 LYS A 49 -9.276 4.994 -11.743 1.00 51.43 H new ATOM 0 HE2 LYS A 49 -9.902 3.935 -13.900 1.00 14.34 H new ATOM 0 HE3 LYS A 49 -8.869 2.567 -13.536 1.00 14.34 H new ATOM 0 HZ1 LYS A 49 -11.167 2.097 -12.998 1.00 41.35 H new ATOM 0 HZ2 LYS A 49 -10.228 2.096 -11.583 1.00 41.35 H new ATOM 0 HZ3 LYS A 49 -11.229 3.421 -11.936 1.00 41.35 H new ATOM 823 N ILE A 50 -4.137 7.203 -10.891 1.00 2.30 N ATOM 824 CA ILE A 50 -3.530 8.176 -9.982 1.00 12.54 C ATOM 825 C ILE A 50 -2.671 9.178 -10.748 1.00 75.55 C ATOM 826 O ILE A 50 -2.861 10.390 -10.636 1.00 20.03 O ATOM 827 CB ILE A 50 -2.656 7.477 -8.905 1.00 61.22 C ATOM 828 CG1 ILE A 50 -3.520 6.580 -8.017 1.00 21.54 C ATOM 829 CG2 ILE A 50 -1.910 8.506 -8.057 1.00 2.32 C ATOM 830 CD1 ILE A 50 -2.725 5.754 -7.028 1.00 21.12 C ATOM 0 H ILE A 50 -3.885 6.234 -10.697 1.00 2.30 H new ATOM 0 HA ILE A 50 -4.347 8.703 -9.488 1.00 12.54 H new ATOM 0 HB ILE A 50 -1.918 6.857 -9.415 1.00 61.22 H new ATOM 0 HG12 ILE A 50 -4.230 7.201 -7.470 1.00 21.54 H new ATOM 0 HG13 ILE A 50 -4.103 5.911 -8.650 1.00 21.54 H new ATOM 0 HG21 ILE A 50 -1.305 7.992 -7.310 1.00 2.32 H new ATOM 0 HG22 ILE A 50 -1.263 9.106 -8.698 1.00 2.32 H new ATOM 0 HG23 ILE A 50 -2.629 9.156 -7.557 1.00 2.32 H new ATOM 0 HD11 ILE A 50 -3.405 5.144 -6.434 1.00 21.12 H new ATOM 0 HD12 ILE A 50 -2.034 5.106 -7.567 1.00 21.12 H new ATOM 0 HD13 ILE A 50 -2.163 6.416 -6.370 1.00 21.12 H new ATOM 842 N LYS A 51 -1.755 8.665 -11.554 1.00 71.02 N ATOM 843 CA LYS A 51 -0.839 9.513 -12.310 1.00 62.21 C ATOM 844 C LYS A 51 -1.568 10.288 -13.411 1.00 43.10 C ATOM 845 O LYS A 51 -1.060 11.286 -13.920 1.00 41.44 O ATOM 846 CB LYS A 51 0.298 8.680 -12.915 1.00 71.30 C ATOM 847 CG LYS A 51 1.080 7.848 -11.900 1.00 53.34 C ATOM 848 CD LYS A 51 1.643 8.699 -10.768 1.00 54.54 C ATOM 849 CE LYS A 51 2.637 9.735 -11.272 1.00 45.32 C ATOM 850 NZ LYS A 51 3.147 10.587 -10.171 1.00 14.51 N ATOM 0 H LYS A 51 -1.624 7.665 -11.704 1.00 71.02 H new ATOM 0 HA LYS A 51 -0.415 10.236 -11.613 1.00 62.21 H new ATOM 0 HB2 LYS A 51 -0.119 8.013 -13.670 1.00 71.30 H new ATOM 0 HB3 LYS A 51 0.989 9.349 -13.428 1.00 71.30 H new ATOM 0 HG2 LYS A 51 0.429 7.079 -11.485 1.00 53.34 H new ATOM 0 HG3 LYS A 51 1.897 7.334 -12.407 1.00 53.34 H new ATOM 0 HD2 LYS A 51 0.825 9.202 -10.252 1.00 54.54 H new ATOM 0 HD3 LYS A 51 2.131 8.054 -10.038 1.00 54.54 H new ATOM 0 HE2 LYS A 51 3.472 9.231 -11.759 1.00 45.32 H new ATOM 0 HE3 LYS A 51 2.159 10.361 -12.025 1.00 45.32 H new ATOM 0 HZ1 LYS A 51 3.821 11.281 -10.553 1.00 14.51 H new ATOM 0 HZ2 LYS A 51 2.353 11.087 -9.722 1.00 14.51 H new ATOM 0 HZ3 LYS A 51 3.625 9.992 -9.464 1.00 14.51 H new ATOM 864 N SER A 52 -2.756 9.834 -13.766 1.00 44.44 N ATOM 865 CA SER A 52 -3.539 10.487 -14.803 1.00 2.21 C ATOM 866 C SER A 52 -4.434 11.571 -14.196 1.00 52.41 C ATOM 867 O SER A 52 -5.059 12.345 -14.918 1.00 63.41 O ATOM 868 CB SER A 52 -4.392 9.451 -15.546 1.00 14.00 C ATOM 869 OG SER A 52 -4.904 9.963 -16.770 1.00 54.50 O ATOM 0 H SER A 52 -3.201 9.015 -13.352 1.00 44.44 H new ATOM 0 HA SER A 52 -2.857 10.959 -15.511 1.00 2.21 H new ATOM 0 HB2 SER A 52 -3.792 8.564 -15.747 1.00 14.00 H new ATOM 0 HB3 SER A 52 -5.220 9.138 -14.909 1.00 14.00 H new ATOM 0 HG SER A 52 -5.208 10.885 -16.637 1.00 54.50 H new ATOM 875 N GLY A 53 -4.486 11.620 -12.868 1.00 25.25 N ATOM 876 CA GLY A 53 -5.335 12.587 -12.198 1.00 71.01 C ATOM 877 C GLY A 53 -6.791 12.176 -12.249 1.00 65.45 C ATOM 878 O GLY A 53 -7.691 13.018 -12.207 1.00 54.22 O ATOM 0 H GLY A 53 -3.957 11.009 -12.246 1.00 25.25 H new ATOM 0 HA2 GLY A 53 -5.021 12.690 -11.159 1.00 71.01 H new ATOM 0 HA3 GLY A 53 -5.215 13.564 -12.666 1.00 71.01 H new ATOM 882 N GLU A 54 -7.013 10.877 -12.345 1.00 51.21 N ATOM 883 CA GLU A 54 -8.350 10.317 -12.419 1.00 11.43 C ATOM 884 C GLU A 54 -8.852 9.968 -11.020 1.00 41.03 C ATOM 885 O GLU A 54 -9.899 10.450 -10.579 1.00 1.12 O ATOM 886 CB GLU A 54 -8.334 9.059 -13.297 1.00 33.04 C ATOM 887 CG GLU A 54 -9.691 8.397 -13.478 1.00 45.31 C ATOM 888 CD GLU A 54 -10.616 9.192 -14.370 1.00 22.11 C ATOM 889 OE1 GLU A 54 -11.250 10.150 -13.879 1.00 51.11 O ATOM 890 OE2 GLU A 54 -10.716 8.856 -15.568 1.00 23.53 O ATOM 0 H GLU A 54 -6.269 10.180 -12.374 1.00 51.21 H new ATOM 0 HA GLU A 54 -9.021 11.055 -12.859 1.00 11.43 H new ATOM 0 HB2 GLU A 54 -7.939 9.322 -14.278 1.00 33.04 H new ATOM 0 HB3 GLU A 54 -7.647 8.335 -12.860 1.00 33.04 H new ATOM 0 HG2 GLU A 54 -9.551 7.402 -13.902 1.00 45.31 H new ATOM 0 HG3 GLU A 54 -10.159 8.265 -12.502 1.00 45.31 H new ATOM 897 N GLU A 55 -8.090 9.146 -10.325 1.00 11.51 N ATOM 898 CA GLU A 55 -8.459 8.712 -8.992 1.00 35.10 C ATOM 899 C GLU A 55 -7.494 9.255 -7.962 1.00 43.25 C ATOM 900 O GLU A 55 -6.314 9.477 -8.252 1.00 53.21 O ATOM 901 CB GLU A 55 -8.482 7.187 -8.908 1.00 61.21 C ATOM 902 CG GLU A 55 -9.550 6.532 -9.758 1.00 2.33 C ATOM 903 CD GLU A 55 -10.948 6.923 -9.344 1.00 23.44 C ATOM 904 OE1 GLU A 55 -11.362 6.571 -8.215 1.00 44.13 O ATOM 905 OE2 GLU A 55 -11.651 7.563 -10.149 1.00 51.45 O ATOM 0 H GLU A 55 -7.207 8.764 -10.664 1.00 11.51 H new ATOM 0 HA GLU A 55 -9.457 9.098 -8.783 1.00 35.10 H new ATOM 0 HB2 GLU A 55 -7.508 6.803 -9.210 1.00 61.21 H new ATOM 0 HB3 GLU A 55 -8.631 6.894 -7.869 1.00 61.21 H new ATOM 0 HG2 GLU A 55 -9.395 6.805 -10.802 1.00 2.33 H new ATOM 0 HG3 GLU A 55 -9.446 5.449 -9.693 1.00 2.33 H new ATOM 912 N ASP A 56 -7.995 9.462 -6.766 1.00 21.01 N ATOM 913 CA ASP A 56 -7.184 9.936 -5.668 1.00 75.32 C ATOM 914 C ASP A 56 -6.735 8.756 -4.835 1.00 23.11 C ATOM 915 O ASP A 56 -7.541 7.871 -4.523 1.00 25.41 O ATOM 916 CB ASP A 56 -7.971 10.926 -4.798 1.00 4.44 C ATOM 917 CG ASP A 56 -8.277 12.225 -5.514 1.00 63.12 C ATOM 918 OD1 ASP A 56 -7.432 13.147 -5.469 1.00 72.32 O ATOM 919 OD2 ASP A 56 -9.364 12.337 -6.130 1.00 11.25 O ATOM 0 H ASP A 56 -8.974 9.307 -6.527 1.00 21.01 H new ATOM 0 HA ASP A 56 -6.313 10.455 -6.069 1.00 75.32 H new ATOM 0 HB2 ASP A 56 -8.905 10.462 -4.483 1.00 4.44 H new ATOM 0 HB3 ASP A 56 -7.401 11.141 -3.894 1.00 4.44 H new ATOM 924 N PHE A 57 -5.453 8.732 -4.475 1.00 0.33 N ATOM 925 CA PHE A 57 -4.906 7.636 -3.680 1.00 43.13 C ATOM 926 C PHE A 57 -5.669 7.502 -2.375 1.00 1.44 C ATOM 927 O PHE A 57 -5.893 6.398 -1.891 1.00 11.14 O ATOM 928 CB PHE A 57 -3.411 7.846 -3.400 1.00 5.02 C ATOM 929 CG PHE A 57 -2.763 6.679 -2.697 1.00 11.03 C ATOM 930 CD1 PHE A 57 -2.275 5.605 -3.421 1.00 33.11 C ATOM 931 CD2 PHE A 57 -2.652 6.652 -1.315 1.00 20.31 C ATOM 932 CE1 PHE A 57 -1.690 4.529 -2.785 1.00 35.55 C ATOM 933 CE2 PHE A 57 -2.064 5.576 -0.675 1.00 34.51 C ATOM 934 CZ PHE A 57 -1.584 4.515 -1.411 1.00 72.33 C ATOM 0 H PHE A 57 -4.777 9.456 -4.720 1.00 0.33 H new ATOM 0 HA PHE A 57 -5.017 6.716 -4.253 1.00 43.13 H new ATOM 0 HB2 PHE A 57 -2.894 8.025 -4.343 1.00 5.02 H new ATOM 0 HB3 PHE A 57 -3.285 8.742 -2.792 1.00 5.02 H new ATOM 0 HD1 PHE A 57 -2.353 5.609 -4.498 1.00 33.11 H new ATOM 0 HD2 PHE A 57 -3.029 7.480 -0.732 1.00 20.31 H new ATOM 0 HE1 PHE A 57 -1.315 3.698 -3.364 1.00 35.55 H new ATOM 0 HE2 PHE A 57 -1.981 5.568 0.402 1.00 34.51 H new ATOM 0 HZ PHE A 57 -1.126 3.674 -0.912 1.00 72.33 H new ATOM 944 N GLU A 58 -6.074 8.638 -1.824 1.00 51.42 N ATOM 945 CA GLU A 58 -6.851 8.676 -0.593 1.00 50.21 C ATOM 946 C GLU A 58 -8.091 7.801 -0.714 1.00 33.14 C ATOM 947 O GLU A 58 -8.300 6.893 0.082 1.00 44.41 O ATOM 948 CB GLU A 58 -7.274 10.105 -0.295 1.00 22.04 C ATOM 949 CG GLU A 58 -6.123 11.051 -0.036 1.00 52.32 C ATOM 950 CD GLU A 58 -6.520 12.489 -0.240 1.00 2.33 C ATOM 951 OE1 GLU A 58 -7.198 13.055 0.642 1.00 75.44 O ATOM 952 OE2 GLU A 58 -6.168 13.062 -1.291 1.00 33.22 O ATOM 0 H GLU A 58 -5.874 9.558 -2.217 1.00 51.42 H new ATOM 0 HA GLU A 58 -6.229 8.298 0.218 1.00 50.21 H new ATOM 0 HB2 GLU A 58 -7.857 10.482 -1.135 1.00 22.04 H new ATOM 0 HB3 GLU A 58 -7.931 10.104 0.575 1.00 22.04 H new ATOM 0 HG2 GLU A 58 -5.764 10.915 0.984 1.00 52.32 H new ATOM 0 HG3 GLU A 58 -5.295 10.805 -0.701 1.00 52.32 H new ATOM 959 N SER A 59 -8.893 8.072 -1.732 1.00 3.33 N ATOM 960 CA SER A 59 -10.125 7.340 -1.960 1.00 71.21 C ATOM 961 C SER A 59 -9.850 5.863 -2.226 1.00 3.44 C ATOM 962 O SER A 59 -10.565 4.993 -1.733 1.00 54.45 O ATOM 963 CB SER A 59 -10.880 7.966 -3.125 1.00 23.20 C ATOM 964 OG SER A 59 -11.035 9.363 -2.918 1.00 23.43 O ATOM 0 H SER A 59 -8.708 8.802 -2.419 1.00 3.33 H new ATOM 0 HA SER A 59 -10.738 7.400 -1.061 1.00 71.21 H new ATOM 0 HB2 SER A 59 -10.341 7.787 -4.055 1.00 23.20 H new ATOM 0 HB3 SER A 59 -11.858 7.496 -3.228 1.00 23.20 H new ATOM 0 HG SER A 59 -11.520 9.754 -3.674 1.00 23.43 H new ATOM 970 N LEU A 60 -8.802 5.586 -2.985 1.00 32.51 N ATOM 971 CA LEU A 60 -8.439 4.215 -3.295 1.00 64.43 C ATOM 972 C LEU A 60 -8.022 3.469 -2.030 1.00 33.34 C ATOM 973 O LEU A 60 -8.447 2.336 -1.796 1.00 72.12 O ATOM 974 CB LEU A 60 -7.310 4.177 -4.329 1.00 30.41 C ATOM 975 CG LEU A 60 -7.620 4.838 -5.677 1.00 21.22 C ATOM 976 CD1 LEU A 60 -6.416 4.761 -6.596 1.00 63.21 C ATOM 977 CD2 LEU A 60 -8.829 4.188 -6.331 1.00 11.12 C ATOM 0 H LEU A 60 -8.190 6.291 -3.396 1.00 32.51 H new ATOM 0 HA LEU A 60 -9.313 3.719 -3.717 1.00 64.43 H new ATOM 0 HB2 LEU A 60 -6.433 4.662 -3.900 1.00 30.41 H new ATOM 0 HB3 LEU A 60 -7.042 3.136 -4.509 1.00 30.41 H new ATOM 0 HG LEU A 60 -7.852 5.888 -5.496 1.00 21.22 H new ATOM 0 HD11 LEU A 60 -6.654 5.235 -7.548 1.00 63.21 H new ATOM 0 HD12 LEU A 60 -5.573 5.276 -6.135 1.00 63.21 H new ATOM 0 HD13 LEU A 60 -6.154 3.717 -6.766 1.00 63.21 H new ATOM 0 HD21 LEU A 60 -9.031 4.673 -7.286 1.00 11.12 H new ATOM 0 HD22 LEU A 60 -8.628 3.130 -6.497 1.00 11.12 H new ATOM 0 HD23 LEU A 60 -9.696 4.295 -5.680 1.00 11.12 H new ATOM 989 N ALA A 61 -7.221 4.123 -1.204 1.00 24.10 N ATOM 990 CA ALA A 61 -6.737 3.529 0.034 1.00 71.42 C ATOM 991 C ALA A 61 -7.848 3.411 1.072 1.00 41.33 C ATOM 992 O ALA A 61 -7.786 2.575 1.955 1.00 25.45 O ATOM 993 CB ALA A 61 -5.570 4.331 0.590 1.00 65.40 C ATOM 0 H ALA A 61 -6.890 5.073 -1.370 1.00 24.10 H new ATOM 0 HA ALA A 61 -6.392 2.521 -0.196 1.00 71.42 H new ATOM 0 HB1 ALA A 61 -5.221 3.872 1.515 1.00 65.40 H new ATOM 0 HB2 ALA A 61 -4.758 4.344 -0.137 1.00 65.40 H new ATOM 0 HB3 ALA A 61 -5.893 5.352 0.791 1.00 65.40 H new ATOM 999 N SER A 62 -8.866 4.241 0.948 1.00 15.22 N ATOM 1000 CA SER A 62 -9.980 4.215 1.884 1.00 51.31 C ATOM 1001 C SER A 62 -11.072 3.242 1.421 1.00 52.23 C ATOM 1002 O SER A 62 -12.142 3.155 2.032 1.00 62.15 O ATOM 1003 CB SER A 62 -10.567 5.624 2.040 1.00 53.20 C ATOM 1004 OG SER A 62 -9.558 6.566 2.386 1.00 24.32 O ATOM 0 H SER A 62 -8.947 4.941 0.211 1.00 15.22 H new ATOM 0 HA SER A 62 -9.604 3.870 2.847 1.00 51.31 H new ATOM 0 HB2 SER A 62 -11.047 5.926 1.109 1.00 53.20 H new ATOM 0 HB3 SER A 62 -11.340 5.616 2.809 1.00 53.20 H new ATOM 0 HG SER A 62 -9.173 6.948 1.570 1.00 24.32 H new ATOM 1010 N GLN A 63 -10.798 2.506 0.345 1.00 24.13 N ATOM 1011 CA GLN A 63 -11.783 1.585 -0.216 1.00 60.43 C ATOM 1012 C GLN A 63 -11.188 0.217 -0.547 1.00 30.55 C ATOM 1013 O GLN A 63 -11.742 -0.816 -0.173 1.00 30.10 O ATOM 1014 CB GLN A 63 -12.409 2.186 -1.476 1.00 34.33 C ATOM 1015 CG GLN A 63 -13.279 3.405 -1.217 1.00 61.42 C ATOM 1016 CD GLN A 63 -13.743 4.082 -2.493 1.00 3.14 C ATOM 1017 OE1 GLN A 63 -12.918 4.048 -3.520 1.00 51.30 O flip ATOM 1018 NE2 GLN A 63 -14.834 4.652 -2.543 1.00 22.50 N flip ATOM 0 H GLN A 63 -9.908 2.529 -0.152 1.00 24.13 H new ATOM 0 HA GLN A 63 -12.546 1.436 0.548 1.00 60.43 H new ATOM 0 HB2 GLN A 63 -11.613 2.462 -2.168 1.00 34.33 H new ATOM 0 HB3 GLN A 63 -13.010 1.422 -1.970 1.00 34.33 H new ATOM 0 HG2 GLN A 63 -14.150 3.106 -0.633 1.00 61.42 H new ATOM 0 HG3 GLN A 63 -12.721 4.121 -0.614 1.00 61.42 H new ATOM 0 HE21 GLN A 63 -15.445 4.656 -1.726 1.00 22.50 H new ATOM 0 HE22 GLN A 63 -15.126 5.120 -3.401 1.00 22.50 H new ATOM 1027 N PHE A 64 -10.069 0.211 -1.255 1.00 2.42 N ATOM 1028 CA PHE A 64 -9.468 -1.038 -1.711 1.00 71.21 C ATOM 1029 C PHE A 64 -8.441 -1.586 -0.727 1.00 0.14 C ATOM 1030 O PHE A 64 -8.132 -2.776 -0.748 1.00 32.13 O ATOM 1031 CB PHE A 64 -8.840 -0.855 -3.094 1.00 41.04 C ATOM 1032 CG PHE A 64 -9.830 -0.463 -4.155 1.00 63.41 C ATOM 1033 CD1 PHE A 64 -9.921 0.850 -4.587 1.00 52.40 C ATOM 1034 CD2 PHE A 64 -10.673 -1.408 -4.718 1.00 4.10 C ATOM 1035 CE1 PHE A 64 -10.834 1.213 -5.560 1.00 43.10 C ATOM 1036 CE2 PHE A 64 -11.587 -1.051 -5.691 1.00 23.21 C ATOM 1037 CZ PHE A 64 -11.667 0.260 -6.113 1.00 4.45 C ATOM 0 H PHE A 64 -9.559 1.051 -1.527 1.00 2.42 H new ATOM 0 HA PHE A 64 -10.270 -1.773 -1.776 1.00 71.21 H new ATOM 0 HB2 PHE A 64 -8.063 -0.093 -3.034 1.00 41.04 H new ATOM 0 HB3 PHE A 64 -8.352 -1.784 -3.389 1.00 41.04 H new ATOM 0 HD1 PHE A 64 -9.271 1.599 -4.159 1.00 52.40 H new ATOM 0 HD2 PHE A 64 -10.615 -2.436 -4.392 1.00 4.10 H new ATOM 0 HE1 PHE A 64 -10.896 2.240 -5.887 1.00 43.10 H new ATOM 0 HE2 PHE A 64 -12.238 -1.798 -6.121 1.00 23.21 H new ATOM 0 HZ PHE A 64 -12.380 0.541 -6.874 1.00 4.45 H new ATOM 1047 N SER A 65 -7.919 -0.732 0.126 1.00 74.42 N ATOM 1048 CA SER A 65 -6.939 -1.158 1.105 1.00 44.22 C ATOM 1049 C SER A 65 -7.639 -1.921 2.230 1.00 41.04 C ATOM 1050 O SER A 65 -8.371 -1.335 3.023 1.00 13.43 O ATOM 1051 CB SER A 65 -6.193 0.064 1.662 1.00 63.25 C ATOM 1052 OG SER A 65 -5.000 -0.301 2.339 1.00 55.40 O ATOM 0 H SER A 65 -8.155 0.260 0.163 1.00 74.42 H new ATOM 0 HA SER A 65 -6.213 -1.819 0.632 1.00 44.22 H new ATOM 0 HB2 SER A 65 -5.952 0.744 0.845 1.00 63.25 H new ATOM 0 HB3 SER A 65 -6.846 0.606 2.346 1.00 63.25 H new ATOM 0 HG SER A 65 -4.332 0.408 2.230 1.00 55.40 H new ATOM 1058 N ASP A 66 -7.432 -3.230 2.287 1.00 0.35 N ATOM 1059 CA ASP A 66 -8.082 -4.041 3.311 1.00 43.35 C ATOM 1060 C ASP A 66 -7.307 -3.985 4.621 1.00 1.01 C ATOM 1061 O ASP A 66 -6.623 -4.933 5.005 1.00 34.23 O ATOM 1062 CB ASP A 66 -8.267 -5.492 2.849 1.00 43.32 C ATOM 1063 CG ASP A 66 -9.213 -6.271 3.753 1.00 23.31 C ATOM 1064 OD1 ASP A 66 -10.444 -6.118 3.603 1.00 34.12 O ATOM 1065 OD2 ASP A 66 -8.733 -7.052 4.606 1.00 53.10 O ATOM 0 H ASP A 66 -6.829 -3.748 1.648 1.00 0.35 H new ATOM 0 HA ASP A 66 -9.073 -3.621 3.481 1.00 43.35 H new ATOM 0 HB2 ASP A 66 -8.653 -5.500 1.830 1.00 43.32 H new ATOM 0 HB3 ASP A 66 -7.298 -5.990 2.826 1.00 43.32 H new ATOM 1070 N CYS A 67 -7.386 -2.842 5.272 1.00 45.23 N ATOM 1071 CA CYS A 67 -6.731 -2.615 6.543 1.00 14.40 C ATOM 1072 C CYS A 67 -7.567 -1.644 7.374 1.00 34.24 C ATOM 1073 O CYS A 67 -8.386 -0.908 6.827 1.00 25.23 O ATOM 1074 CB CYS A 67 -5.327 -2.041 6.306 1.00 43.44 C ATOM 1075 SG CYS A 67 -4.316 -1.863 7.796 1.00 2.12 S ATOM 0 H CYS A 67 -7.912 -2.038 4.930 1.00 45.23 H new ATOM 0 HA CYS A 67 -6.637 -3.557 7.082 1.00 14.40 H new ATOM 0 HB2 CYS A 67 -4.801 -2.686 5.602 1.00 43.44 H new ATOM 0 HB3 CYS A 67 -5.425 -1.064 5.832 1.00 43.44 H new ATOM 0 HG CYS A 67 -4.035 -0.608 7.982 1.00 2.12 H new ATOM 1081 N SER A 68 -7.364 -1.639 8.682 1.00 3.15 N ATOM 1082 CA SER A 68 -8.110 -0.754 9.569 1.00 44.32 C ATOM 1083 C SER A 68 -7.792 0.717 9.278 1.00 10.45 C ATOM 1084 O SER A 68 -8.651 1.594 9.422 1.00 25.11 O ATOM 1085 CB SER A 68 -7.799 -1.097 11.023 1.00 15.01 C ATOM 1086 OG SER A 68 -6.399 -1.253 11.221 1.00 24.23 O ATOM 0 H SER A 68 -6.688 -2.238 9.156 1.00 3.15 H new ATOM 0 HA SER A 68 -9.175 -0.902 9.390 1.00 44.32 H new ATOM 0 HB2 SER A 68 -8.177 -0.309 11.675 1.00 15.01 H new ATOM 0 HB3 SER A 68 -8.314 -2.016 11.302 1.00 15.01 H new ATOM 0 HG SER A 68 -6.224 -1.471 12.160 1.00 24.23 H new ATOM 1092 N SER A 69 -6.565 0.969 8.840 1.00 52.32 N ATOM 1093 CA SER A 69 -6.116 2.314 8.515 1.00 53.21 C ATOM 1094 C SER A 69 -6.873 2.896 7.330 1.00 71.32 C ATOM 1095 O SER A 69 -6.924 4.106 7.166 1.00 75.21 O ATOM 1096 CB SER A 69 -4.611 2.329 8.258 1.00 32.04 C ATOM 1097 OG SER A 69 -4.196 1.141 7.606 1.00 55.53 O ATOM 0 H SER A 69 -5.856 0.249 8.701 1.00 52.32 H new ATOM 0 HA SER A 69 -6.330 2.947 9.376 1.00 53.21 H new ATOM 0 HB2 SER A 69 -4.351 3.193 7.647 1.00 32.04 H new ATOM 0 HB3 SER A 69 -4.078 2.435 9.203 1.00 32.04 H new ATOM 0 HG SER A 69 -3.715 1.370 6.783 1.00 55.53 H new ATOM 1103 N ALA A 70 -7.455 2.027 6.504 1.00 72.15 N ATOM 1104 CA ALA A 70 -8.219 2.463 5.335 1.00 41.12 C ATOM 1105 C ALA A 70 -9.348 3.397 5.740 1.00 70.41 C ATOM 1106 O ALA A 70 -9.657 4.358 5.042 1.00 63.54 O ATOM 1107 CB ALA A 70 -8.782 1.267 4.601 1.00 51.53 C ATOM 0 H ALA A 70 -7.412 1.015 6.623 1.00 72.15 H new ATOM 0 HA ALA A 70 -7.543 3.004 4.673 1.00 41.12 H new ATOM 0 HB1 ALA A 70 -9.348 1.606 3.733 1.00 51.53 H new ATOM 0 HB2 ALA A 70 -7.965 0.624 4.273 1.00 51.53 H new ATOM 0 HB3 ALA A 70 -9.439 0.708 5.267 1.00 51.53 H new ATOM 1113 N LYS A 71 -9.944 3.123 6.894 1.00 70.31 N ATOM 1114 CA LYS A 71 -11.035 3.939 7.403 1.00 52.21 C ATOM 1115 C LYS A 71 -10.514 5.293 7.880 1.00 14.15 C ATOM 1116 O LYS A 71 -11.283 6.231 8.101 1.00 75.54 O ATOM 1117 CB LYS A 71 -11.761 3.211 8.535 1.00 45.00 C ATOM 1118 CG LYS A 71 -12.301 1.848 8.132 1.00 62.23 C ATOM 1119 CD LYS A 71 -13.100 1.210 9.255 1.00 50.44 C ATOM 1120 CE LYS A 71 -13.603 -0.169 8.858 1.00 45.03 C ATOM 1121 NZ LYS A 71 -14.461 -0.769 9.910 1.00 72.11 N ATOM 0 H LYS A 71 -9.688 2.340 7.495 1.00 70.31 H new ATOM 0 HA LYS A 71 -11.745 4.112 6.594 1.00 52.21 H new ATOM 0 HB2 LYS A 71 -11.077 3.088 9.375 1.00 45.00 H new ATOM 0 HB3 LYS A 71 -12.586 3.831 8.884 1.00 45.00 H new ATOM 0 HG2 LYS A 71 -12.932 1.952 7.249 1.00 62.23 H new ATOM 0 HG3 LYS A 71 -11.473 1.195 7.857 1.00 62.23 H new ATOM 0 HD2 LYS A 71 -12.479 1.130 10.147 1.00 50.44 H new ATOM 0 HD3 LYS A 71 -13.945 1.848 9.511 1.00 50.44 H new ATOM 0 HE2 LYS A 71 -14.167 -0.096 7.928 1.00 45.03 H new ATOM 0 HE3 LYS A 71 -12.753 -0.824 8.665 1.00 45.03 H new ATOM 0 HZ1 LYS A 71 -14.783 -1.708 9.601 1.00 72.11 H new ATOM 0 HZ2 LYS A 71 -13.916 -0.862 10.791 1.00 72.11 H new ATOM 0 HZ3 LYS A 71 -15.285 -0.157 10.076 1.00 72.11 H new ATOM 1135 N ALA A 72 -9.202 5.382 8.014 1.00 33.32 N ATOM 1136 CA ALA A 72 -8.531 6.600 8.420 1.00 33.44 C ATOM 1137 C ALA A 72 -7.769 7.187 7.233 1.00 53.31 C ATOM 1138 O ALA A 72 -6.711 7.800 7.402 1.00 55.34 O ATOM 1139 CB ALA A 72 -7.578 6.307 9.572 1.00 50.41 C ATOM 0 H ALA A 72 -8.568 4.602 7.842 1.00 33.32 H new ATOM 0 HA ALA A 72 -9.271 7.326 8.757 1.00 33.44 H new ATOM 0 HB1 ALA A 72 -7.077 7.227 9.872 1.00 50.41 H new ATOM 0 HB2 ALA A 72 -8.140 5.907 10.416 1.00 50.41 H new ATOM 0 HB3 ALA A 72 -6.835 5.577 9.253 1.00 50.41 H new ATOM 1145 N ARG A 73 -8.320 6.963 6.026 1.00 12.41 N ATOM 1146 CA ARG A 73 -7.757 7.463 4.753 1.00 21.22 C ATOM 1147 C ARG A 73 -6.624 6.595 4.224 1.00 32.20 C ATOM 1148 O ARG A 73 -6.063 6.876 3.170 1.00 41.22 O ATOM 1149 CB ARG A 73 -7.315 8.933 4.849 1.00 33.25 C ATOM 1150 CG ARG A 73 -8.292 9.906 4.221 1.00 40.01 C ATOM 1151 CD ARG A 73 -9.661 9.842 4.879 1.00 32.34 C ATOM 1152 NE ARG A 73 -10.656 10.605 4.127 1.00 13.43 N ATOM 1153 CZ ARG A 73 -11.973 10.405 4.202 1.00 32.21 C ATOM 1154 NH1 ARG A 73 -12.471 9.528 5.068 1.00 72.23 N ATOM 1155 NH2 ARG A 73 -12.797 11.097 3.422 1.00 73.05 N ATOM 0 H ARG A 73 -9.178 6.424 5.903 1.00 12.41 H new ATOM 0 HA ARG A 73 -8.572 7.404 4.032 1.00 21.22 H new ATOM 0 HB2 ARG A 73 -7.180 9.194 5.898 1.00 33.25 H new ATOM 0 HB3 ARG A 73 -6.344 9.044 4.365 1.00 33.25 H new ATOM 0 HG2 ARG A 73 -7.898 10.919 4.302 1.00 40.01 H new ATOM 0 HG3 ARG A 73 -8.390 9.686 3.158 1.00 40.01 H new ATOM 0 HD2 ARG A 73 -9.980 8.803 4.955 1.00 32.34 H new ATOM 0 HD3 ARG A 73 -9.595 10.231 5.895 1.00 32.34 H new ATOM 0 HE ARG A 73 -10.321 11.339 3.503 1.00 13.43 H new ATOM 0 HH11 ARG A 73 -11.845 9.004 5.680 1.00 72.23 H new ATOM 0 HH12 ARG A 73 -13.479 9.379 5.121 1.00 72.23 H new ATOM 0 HH21 ARG A 73 -12.423 11.782 2.765 1.00 73.05 H new ATOM 0 HH22 ARG A 73 -13.804 10.943 3.480 1.00 73.05 H new ATOM 1169 N GLY A 74 -6.298 5.544 4.948 1.00 74.11 N ATOM 1170 CA GLY A 74 -5.244 4.652 4.514 1.00 12.12 C ATOM 1171 C GLY A 74 -3.879 5.124 4.947 1.00 13.31 C ATOM 1172 O GLY A 74 -2.868 4.469 4.667 1.00 72.24 O ATOM 0 H GLY A 74 -6.742 5.289 5.830 1.00 74.11 H new ATOM 0 HA2 GLY A 74 -5.426 3.656 4.917 1.00 12.12 H new ATOM 0 HA3 GLY A 74 -5.268 4.566 3.428 1.00 12.12 H new ATOM 1176 N ASP A 75 -3.842 6.254 5.633 1.00 62.34 N ATOM 1177 CA ASP A 75 -2.591 6.812 6.105 1.00 22.15 C ATOM 1178 C ASP A 75 -2.208 6.188 7.433 1.00 54.52 C ATOM 1179 O ASP A 75 -3.062 5.972 8.296 1.00 23.21 O ATOM 1180 CB ASP A 75 -2.684 8.332 6.228 1.00 64.30 C ATOM 1181 CG ASP A 75 -1.337 8.971 6.490 1.00 21.54 C ATOM 1182 OD1 ASP A 75 -1.073 9.351 7.646 1.00 42.10 O ATOM 1183 OD2 ASP A 75 -0.536 9.091 5.541 1.00 41.31 O ATOM 0 H ASP A 75 -4.667 6.802 5.875 1.00 62.34 H new ATOM 0 HA ASP A 75 -1.814 6.583 5.376 1.00 22.15 H new ATOM 0 HB2 ASP A 75 -3.106 8.743 5.311 1.00 64.30 H new ATOM 0 HB3 ASP A 75 -3.368 8.588 7.037 1.00 64.30 H new ATOM 1188 N LEU A 76 -0.934 5.880 7.590 1.00 22.01 N ATOM 1189 CA LEU A 76 -0.446 5.229 8.799 1.00 65.41 C ATOM 1190 C LEU A 76 0.110 6.236 9.789 1.00 31.21 C ATOM 1191 O LEU A 76 0.406 5.890 10.937 1.00 12.20 O ATOM 1192 CB LEU A 76 0.639 4.208 8.449 1.00 74.31 C ATOM 1193 CG LEU A 76 0.187 3.021 7.602 1.00 1.23 C ATOM 1194 CD1 LEU A 76 1.377 2.154 7.223 1.00 11.14 C ATOM 1195 CD2 LEU A 76 -0.850 2.201 8.349 1.00 64.15 C ATOM 0 H LEU A 76 -0.213 6.070 6.894 1.00 22.01 H new ATOM 0 HA LEU A 76 -1.292 4.723 9.263 1.00 65.41 H new ATOM 0 HB2 LEU A 76 1.440 4.724 7.919 1.00 74.31 H new ATOM 0 HB3 LEU A 76 1.065 3.827 9.377 1.00 74.31 H new ATOM 0 HG LEU A 76 -0.267 3.403 6.687 1.00 1.23 H new ATOM 0 HD11 LEU A 76 1.037 1.313 6.619 1.00 11.14 H new ATOM 0 HD12 LEU A 76 2.091 2.746 6.650 1.00 11.14 H new ATOM 0 HD13 LEU A 76 1.858 1.781 8.127 1.00 11.14 H new ATOM 0 HD21 LEU A 76 -1.162 1.359 7.731 1.00 64.15 H new ATOM 0 HD22 LEU A 76 -0.419 1.829 9.279 1.00 64.15 H new ATOM 0 HD23 LEU A 76 -1.715 2.826 8.574 1.00 64.15 H new ATOM 1207 N GLY A 77 0.229 7.474 9.364 1.00 12.34 N ATOM 1208 CA GLY A 77 0.827 8.474 10.207 1.00 5.14 C ATOM 1209 C GLY A 77 2.327 8.432 10.084 1.00 51.52 C ATOM 1210 O GLY A 77 2.854 7.826 9.147 1.00 72.41 O ATOM 0 H GLY A 77 -0.078 7.806 8.450 1.00 12.34 H new ATOM 0 HA2 GLY A 77 0.460 9.462 9.928 1.00 5.14 H new ATOM 0 HA3 GLY A 77 0.535 8.307 11.244 1.00 5.14 H new ATOM 1214 N ALA A 78 3.023 9.054 11.006 1.00 12.00 N ATOM 1215 CA ALA A 78 4.467 9.056 10.966 1.00 34.24 C ATOM 1216 C ALA A 78 5.014 7.897 11.775 1.00 33.14 C ATOM 1217 O ALA A 78 4.792 7.813 12.987 1.00 50.34 O ATOM 1218 CB ALA A 78 5.009 10.375 11.481 1.00 34.42 C ATOM 0 H ALA A 78 2.615 9.563 11.790 1.00 12.00 H new ATOM 0 HA ALA A 78 4.790 8.937 9.932 1.00 34.24 H new ATOM 0 HB1 ALA A 78 6.098 10.360 11.444 1.00 34.42 H new ATOM 0 HB2 ALA A 78 4.636 11.189 10.860 1.00 34.42 H new ATOM 0 HB3 ALA A 78 4.683 10.525 12.510 1.00 34.42 H new ATOM 1224 N PHE A 79 5.743 7.023 11.117 1.00 41.33 N ATOM 1225 CA PHE A 79 6.293 5.848 11.768 1.00 33.41 C ATOM 1226 C PHE A 79 7.812 5.822 11.679 1.00 5.14 C ATOM 1227 O PHE A 79 8.408 6.586 10.919 1.00 35.01 O ATOM 1228 CB PHE A 79 5.682 4.562 11.185 1.00 74.54 C ATOM 1229 CG PHE A 79 5.741 4.458 9.681 1.00 0.31 C ATOM 1230 CD1 PHE A 79 4.705 4.951 8.899 1.00 65.44 C ATOM 1231 CD2 PHE A 79 6.821 3.859 9.052 1.00 62.40 C ATOM 1232 CE1 PHE A 79 4.748 4.849 7.523 1.00 50.23 C ATOM 1233 CE2 PHE A 79 6.868 3.757 7.675 1.00 11.24 C ATOM 1234 CZ PHE A 79 5.830 4.253 6.910 1.00 65.35 C ATOM 0 H PHE A 79 5.971 7.102 10.126 1.00 41.33 H new ATOM 0 HA PHE A 79 6.028 5.900 12.824 1.00 33.41 H new ATOM 0 HB2 PHE A 79 6.199 3.704 11.615 1.00 74.54 H new ATOM 0 HB3 PHE A 79 4.640 4.497 11.499 1.00 74.54 H new ATOM 0 HD1 PHE A 79 3.855 5.420 9.373 1.00 65.44 H new ATOM 0 HD2 PHE A 79 7.635 3.468 9.645 1.00 62.40 H new ATOM 0 HE1 PHE A 79 3.935 5.236 6.927 1.00 50.23 H new ATOM 0 HE2 PHE A 79 7.716 3.290 7.197 1.00 11.24 H new ATOM 0 HZ PHE A 79 5.866 4.174 5.833 1.00 65.35 H new ATOM 1244 N SER A 80 8.426 4.945 12.461 1.00 71.54 N ATOM 1245 CA SER A 80 9.874 4.829 12.504 1.00 2.54 C ATOM 1246 C SER A 80 10.331 3.466 11.981 1.00 40.22 C ATOM 1247 O SER A 80 9.508 2.591 11.700 1.00 72.44 O ATOM 1248 CB SER A 80 10.366 5.024 13.936 1.00 35.42 C ATOM 1249 OG SER A 80 9.889 6.244 14.476 1.00 31.33 O ATOM 0 H SER A 80 7.936 4.298 13.079 1.00 71.54 H new ATOM 0 HA SER A 80 10.299 5.602 11.863 1.00 2.54 H new ATOM 0 HB2 SER A 80 10.031 4.192 14.556 1.00 35.42 H new ATOM 0 HB3 SER A 80 11.456 5.016 13.954 1.00 35.42 H new ATOM 0 HG SER A 80 10.216 6.345 15.394 1.00 31.33 H new ATOM 1255 N ARG A 81 11.646 3.300 11.864 1.00 33.51 N ATOM 1256 CA ARG A 81 12.237 2.054 11.384 1.00 24.03 C ATOM 1257 C ARG A 81 12.052 0.922 12.396 1.00 25.14 C ATOM 1258 O ARG A 81 12.195 1.124 13.608 1.00 21.34 O ATOM 1259 CB ARG A 81 13.734 2.249 11.107 1.00 53.03 C ATOM 1260 CG ARG A 81 14.451 0.984 10.653 1.00 2.25 C ATOM 1261 CD ARG A 81 15.957 1.181 10.596 1.00 61.34 C ATOM 1262 NE ARG A 81 16.347 2.223 9.647 1.00 53.41 N ATOM 1263 CZ ARG A 81 17.578 2.724 9.545 1.00 34.21 C ATOM 1264 NH1 ARG A 81 18.541 2.302 10.353 1.00 0.53 N ATOM 1265 NH2 ARG A 81 17.840 3.650 8.638 1.00 11.21 N ATOM 0 H ARG A 81 12.329 4.021 12.098 1.00 33.51 H new ATOM 0 HA ARG A 81 11.725 1.780 10.462 1.00 24.03 H new ATOM 0 HB2 ARG A 81 13.854 3.017 10.343 1.00 53.03 H new ATOM 0 HB3 ARG A 81 14.215 2.622 12.011 1.00 53.03 H new ATOM 0 HG2 ARG A 81 14.216 0.168 11.336 1.00 2.25 H new ATOM 0 HG3 ARG A 81 14.085 0.691 9.669 1.00 2.25 H new ATOM 0 HD2 ARG A 81 16.325 1.441 11.589 1.00 61.34 H new ATOM 0 HD3 ARG A 81 16.433 0.241 10.316 1.00 61.34 H new ATOM 0 HE ARG A 81 15.630 2.591 9.022 1.00 53.41 H new ATOM 0 HH11 ARG A 81 18.341 1.591 11.056 1.00 0.53 H new ATOM 0 HH12 ARG A 81 19.481 2.688 10.271 1.00 0.53 H new ATOM 0 HH21 ARG A 81 17.101 3.980 8.018 1.00 11.21 H new ATOM 0 HH22 ARG A 81 18.781 4.034 8.559 1.00 11.21 H new ATOM 1279 N GLY A 82 11.732 -0.257 11.890 1.00 33.22 N ATOM 1280 CA GLY A 82 11.596 -1.425 12.732 1.00 3.32 C ATOM 1281 C GLY A 82 10.178 -1.653 13.200 1.00 21.02 C ATOM 1282 O GLY A 82 9.957 -2.097 14.328 1.00 11.00 O ATOM 0 H GLY A 82 11.562 -0.427 10.899 1.00 33.22 H new ATOM 0 HA2 GLY A 82 11.937 -2.303 12.184 1.00 3.32 H new ATOM 0 HA3 GLY A 82 12.247 -1.318 13.600 1.00 3.32 H new ATOM 1286 N GLN A 83 9.210 -1.353 12.349 1.00 2.44 N ATOM 1287 CA GLN A 83 7.811 -1.526 12.714 1.00 15.15 C ATOM 1288 C GLN A 83 7.014 -2.249 11.629 1.00 61.11 C ATOM 1289 O GLN A 83 6.134 -3.058 11.932 1.00 3.43 O ATOM 1290 CB GLN A 83 7.168 -0.182 13.029 1.00 23.02 C ATOM 1291 CG GLN A 83 7.788 0.529 14.218 1.00 23.44 C ATOM 1292 CD GLN A 83 7.077 1.813 14.564 1.00 30.11 C ATOM 1293 OE1 GLN A 83 6.523 2.470 13.567 1.00 74.33 O flip ATOM 1294 NE2 GLN A 83 7.029 2.213 15.724 1.00 20.41 N flip ATOM 0 H GLN A 83 9.364 -0.991 11.408 1.00 2.44 H new ATOM 0 HA GLN A 83 7.791 -2.151 13.606 1.00 15.15 H new ATOM 0 HB2 GLN A 83 7.244 0.461 12.152 1.00 23.02 H new ATOM 0 HB3 GLN A 83 6.106 -0.334 13.221 1.00 23.02 H new ATOM 0 HG2 GLN A 83 7.771 -0.135 15.082 1.00 23.44 H new ATOM 0 HG3 GLN A 83 8.834 0.745 14.002 1.00 23.44 H new ATOM 0 HE21 GLN A 83 7.472 1.674 16.468 1.00 20.41 H new ATOM 0 HE22 GLN A 83 6.547 3.084 15.943 1.00 20.41 H new ATOM 1303 N MET A 84 7.307 -1.960 10.375 1.00 53.04 N ATOM 1304 CA MET A 84 6.590 -2.589 9.269 1.00 74.44 C ATOM 1305 C MET A 84 7.473 -3.617 8.573 1.00 24.52 C ATOM 1306 O MET A 84 8.612 -3.829 8.971 1.00 63.30 O ATOM 1307 CB MET A 84 6.098 -1.538 8.258 1.00 2.43 C ATOM 1308 CG MET A 84 4.938 -0.672 8.753 1.00 72.52 C ATOM 1309 SD MET A 84 5.404 0.466 10.078 1.00 4.33 S ATOM 1310 CE MET A 84 3.829 1.254 10.414 1.00 52.11 C ATOM 0 H MET A 84 8.031 -1.299 10.092 1.00 53.04 H new ATOM 0 HA MET A 84 5.719 -3.098 9.682 1.00 74.44 H new ATOM 0 HB2 MET A 84 6.932 -0.888 7.994 1.00 2.43 H new ATOM 0 HB3 MET A 84 5.790 -2.048 7.345 1.00 2.43 H new ATOM 0 HG2 MET A 84 4.539 -0.099 7.916 1.00 72.52 H new ATOM 0 HG3 MET A 84 4.136 -1.320 9.106 1.00 72.52 H new ATOM 0 HE1 MET A 84 3.870 1.749 11.384 1.00 52.11 H new ATOM 0 HE2 MET A 84 3.618 1.991 9.639 1.00 52.11 H new ATOM 0 HE3 MET A 84 3.040 0.502 10.424 1.00 52.11 H new ATOM 1320 N GLN A 85 6.939 -4.272 7.547 1.00 11.42 N ATOM 1321 CA GLN A 85 7.717 -5.243 6.786 1.00 31.12 C ATOM 1322 C GLN A 85 8.863 -4.537 6.079 1.00 65.00 C ATOM 1323 O GLN A 85 8.689 -3.429 5.575 1.00 34.24 O ATOM 1324 CB GLN A 85 6.835 -5.978 5.776 1.00 1.31 C ATOM 1325 CG GLN A 85 5.728 -6.806 6.416 1.00 21.51 C ATOM 1326 CD GLN A 85 6.258 -7.897 7.332 1.00 62.34 C ATOM 1327 OE1 GLN A 85 6.510 -9.021 6.897 1.00 41.33 O ATOM 1328 NE2 GLN A 85 6.419 -7.579 8.604 1.00 61.34 N ATOM 0 H GLN A 85 5.979 -4.150 7.225 1.00 11.42 H new ATOM 0 HA GLN A 85 8.124 -5.984 7.475 1.00 31.12 H new ATOM 0 HB2 GLN A 85 6.387 -5.249 5.101 1.00 1.31 H new ATOM 0 HB3 GLN A 85 7.461 -6.632 5.169 1.00 1.31 H new ATOM 0 HG2 GLN A 85 5.072 -6.148 6.986 1.00 21.51 H new ATOM 0 HG3 GLN A 85 5.122 -7.260 5.632 1.00 21.51 H new ATOM 0 HE21 GLN A 85 6.199 -6.636 8.926 1.00 61.34 H new ATOM 0 HE22 GLN A 85 6.763 -8.276 9.264 1.00 61.34 H new ATOM 1337 N LYS A 86 10.021 -5.185 6.041 1.00 54.54 N ATOM 1338 CA LYS A 86 11.237 -4.584 5.482 1.00 22.54 C ATOM 1339 C LYS A 86 11.035 -3.983 4.074 1.00 12.11 C ATOM 1340 O LYS A 86 11.300 -2.798 3.882 1.00 61.32 O ATOM 1341 CB LYS A 86 12.403 -5.581 5.493 1.00 31.44 C ATOM 1342 CG LYS A 86 13.737 -4.974 5.081 1.00 71.50 C ATOM 1343 CD LYS A 86 14.123 -3.817 5.992 1.00 4.53 C ATOM 1344 CE LYS A 86 15.491 -3.262 5.644 1.00 1.10 C ATOM 1345 NZ LYS A 86 16.557 -4.287 5.781 1.00 11.42 N ATOM 0 H LYS A 86 10.149 -6.134 6.392 1.00 54.54 H new ATOM 0 HA LYS A 86 11.486 -3.748 6.135 1.00 22.54 H new ATOM 0 HB2 LYS A 86 12.500 -6.001 6.494 1.00 31.44 H new ATOM 0 HB3 LYS A 86 12.168 -6.407 4.822 1.00 31.44 H new ATOM 0 HG2 LYS A 86 14.513 -5.739 5.113 1.00 71.50 H new ATOM 0 HG3 LYS A 86 13.677 -4.624 4.050 1.00 71.50 H new ATOM 0 HD2 LYS A 86 13.378 -3.026 5.911 1.00 4.53 H new ATOM 0 HD3 LYS A 86 14.120 -4.153 7.029 1.00 4.53 H new ATOM 0 HE2 LYS A 86 15.480 -2.884 4.622 1.00 1.10 H new ATOM 0 HE3 LYS A 86 15.715 -2.416 6.294 1.00 1.10 H new ATOM 0 HZ1 LYS A 86 17.485 -3.819 5.820 1.00 11.42 H new ATOM 0 HZ2 LYS A 86 16.406 -4.830 6.655 1.00 11.42 H new ATOM 0 HZ3 LYS A 86 16.527 -4.930 4.964 1.00 11.42 H new ATOM 1359 N PRO A 87 10.558 -4.775 3.068 1.00 12.23 N ATOM 1360 CA PRO A 87 10.356 -4.268 1.699 1.00 50.03 C ATOM 1361 C PRO A 87 9.442 -3.039 1.660 1.00 31.42 C ATOM 1362 O PRO A 87 9.633 -2.136 0.847 1.00 44.11 O ATOM 1363 CB PRO A 87 9.696 -5.451 0.960 1.00 43.23 C ATOM 1364 CG PRO A 87 9.230 -6.377 2.036 1.00 61.21 C ATOM 1365 CD PRO A 87 10.191 -6.200 3.171 1.00 45.40 C ATOM 0 HA PRO A 87 11.294 -3.942 1.250 1.00 50.03 H new ATOM 0 HB2 PRO A 87 8.863 -5.114 0.343 1.00 43.23 H new ATOM 0 HB3 PRO A 87 10.405 -5.945 0.296 1.00 43.23 H new ATOM 0 HG2 PRO A 87 8.212 -6.138 2.344 1.00 61.21 H new ATOM 0 HG3 PRO A 87 9.223 -7.410 1.687 1.00 61.21 H new ATOM 0 HD2 PRO A 87 9.730 -6.431 4.131 1.00 45.40 H new ATOM 0 HD3 PRO A 87 11.060 -6.850 3.070 1.00 45.40 H new ATOM 1373 N PHE A 88 8.461 -3.016 2.546 1.00 13.45 N ATOM 1374 CA PHE A 88 7.519 -1.913 2.625 1.00 22.55 C ATOM 1375 C PHE A 88 8.142 -0.701 3.317 1.00 65.21 C ATOM 1376 O PHE A 88 8.137 0.405 2.783 1.00 71.43 O ATOM 1377 CB PHE A 88 6.250 -2.357 3.376 1.00 53.14 C ATOM 1378 CG PHE A 88 5.251 -1.252 3.612 1.00 52.13 C ATOM 1379 CD1 PHE A 88 5.255 -0.539 4.802 1.00 71.44 C ATOM 1380 CD2 PHE A 88 4.314 -0.930 2.648 1.00 70.14 C ATOM 1381 CE1 PHE A 88 4.344 0.475 5.021 1.00 43.01 C ATOM 1382 CE2 PHE A 88 3.400 0.083 2.863 1.00 21.04 C ATOM 1383 CZ PHE A 88 3.417 0.786 4.052 1.00 2.21 C ATOM 0 H PHE A 88 8.296 -3.757 3.227 1.00 13.45 H new ATOM 0 HA PHE A 88 7.253 -1.621 1.609 1.00 22.55 H new ATOM 0 HB2 PHE A 88 5.767 -3.153 2.810 1.00 53.14 H new ATOM 0 HB3 PHE A 88 6.540 -2.780 4.338 1.00 53.14 H new ATOM 0 HD1 PHE A 88 5.979 -0.780 5.566 1.00 71.44 H new ATOM 0 HD2 PHE A 88 4.296 -1.476 1.717 1.00 70.14 H new ATOM 0 HE1 PHE A 88 4.359 1.023 5.951 1.00 43.01 H new ATOM 0 HE2 PHE A 88 2.673 0.325 2.102 1.00 21.04 H new ATOM 0 HZ PHE A 88 2.704 1.579 4.221 1.00 2.21 H new ATOM 1393 N GLU A 89 8.685 -0.930 4.496 1.00 23.54 N ATOM 1394 CA GLU A 89 9.235 0.135 5.317 1.00 45.53 C ATOM 1395 C GLU A 89 10.439 0.803 4.647 1.00 11.13 C ATOM 1396 O GLU A 89 10.549 2.030 4.634 1.00 12.23 O ATOM 1397 CB GLU A 89 9.630 -0.420 6.675 1.00 10.43 C ATOM 1398 CG GLU A 89 9.797 0.633 7.744 1.00 62.42 C ATOM 1399 CD GLU A 89 10.411 0.069 8.990 1.00 62.54 C ATOM 1400 OE1 GLU A 89 11.643 0.181 9.144 1.00 31.44 O ATOM 1401 OE2 GLU A 89 9.680 -0.515 9.817 1.00 14.23 O ATOM 0 H GLU A 89 8.758 -1.858 4.913 1.00 23.54 H new ATOM 0 HA GLU A 89 8.466 0.897 5.442 1.00 45.53 H new ATOM 0 HB2 GLU A 89 8.873 -1.134 6.998 1.00 10.43 H new ATOM 0 HB3 GLU A 89 10.565 -0.971 6.573 1.00 10.43 H new ATOM 0 HG2 GLU A 89 10.423 1.441 7.364 1.00 62.42 H new ATOM 0 HG3 GLU A 89 8.826 1.067 7.982 1.00 62.42 H new ATOM 1408 N ASP A 90 11.329 -0.005 4.083 1.00 33.43 N ATOM 1409 CA ASP A 90 12.524 0.520 3.416 1.00 61.02 C ATOM 1410 C ASP A 90 12.143 1.397 2.229 1.00 54.32 C ATOM 1411 O ASP A 90 12.800 2.402 1.949 1.00 23.12 O ATOM 1412 CB ASP A 90 13.439 -0.623 2.961 1.00 44.44 C ATOM 1413 CG ASP A 90 14.639 -0.142 2.160 1.00 31.13 C ATOM 1414 OD1 ASP A 90 14.660 -0.356 0.930 1.00 70.34 O ATOM 1415 OD2 ASP A 90 15.568 0.447 2.757 1.00 64.40 O ATOM 0 H ASP A 90 11.251 -1.022 4.072 1.00 33.43 H new ATOM 0 HA ASP A 90 13.067 1.133 4.136 1.00 61.02 H new ATOM 0 HB2 ASP A 90 13.789 -1.171 3.836 1.00 44.44 H new ATOM 0 HB3 ASP A 90 12.863 -1.323 2.356 1.00 44.44 H new ATOM 1420 N ALA A 91 11.065 1.025 1.552 1.00 52.30 N ATOM 1421 CA ALA A 91 10.584 1.777 0.405 1.00 73.21 C ATOM 1422 C ALA A 91 9.920 3.078 0.843 1.00 54.13 C ATOM 1423 O ALA A 91 10.036 4.099 0.168 1.00 1.33 O ATOM 1424 CB ALA A 91 9.617 0.935 -0.412 1.00 73.34 C ATOM 0 H ALA A 91 10.506 0.203 1.780 1.00 52.30 H new ATOM 0 HA ALA A 91 11.441 2.029 -0.219 1.00 73.21 H new ATOM 0 HB1 ALA A 91 9.265 1.512 -1.267 1.00 73.34 H new ATOM 0 HB2 ALA A 91 10.124 0.037 -0.764 1.00 73.34 H new ATOM 0 HB3 ALA A 91 8.767 0.652 0.209 1.00 73.34 H new ATOM 1430 N ALA A 92 9.232 3.035 1.980 1.00 22.13 N ATOM 1431 CA ALA A 92 8.558 4.214 2.516 1.00 4.11 C ATOM 1432 C ALA A 92 9.568 5.297 2.878 1.00 13.24 C ATOM 1433 O ALA A 92 9.354 6.478 2.607 1.00 64.41 O ATOM 1434 CB ALA A 92 7.722 3.839 3.730 1.00 54.05 C ATOM 0 H ALA A 92 9.126 2.195 2.549 1.00 22.13 H new ATOM 0 HA ALA A 92 7.896 4.610 1.746 1.00 4.11 H new ATOM 0 HB1 ALA A 92 7.226 4.728 4.119 1.00 54.05 H new ATOM 0 HB2 ALA A 92 6.973 3.102 3.442 1.00 54.05 H new ATOM 0 HB3 ALA A 92 8.368 3.418 4.501 1.00 54.05 H new ATOM 1440 N PHE A 93 10.681 4.880 3.469 1.00 54.43 N ATOM 1441 CA PHE A 93 11.745 5.805 3.852 1.00 35.14 C ATOM 1442 C PHE A 93 12.562 6.246 2.635 1.00 21.41 C ATOM 1443 O PHE A 93 13.468 7.074 2.749 1.00 51.13 O ATOM 1444 CB PHE A 93 12.663 5.168 4.906 1.00 11.22 C ATOM 1445 CG PHE A 93 12.077 5.130 6.295 1.00 50.42 C ATOM 1446 CD1 PHE A 93 11.012 4.299 6.596 1.00 44.44 C ATOM 1447 CD2 PHE A 93 12.601 5.925 7.300 1.00 12.03 C ATOM 1448 CE1 PHE A 93 10.480 4.263 7.870 1.00 22.40 C ATOM 1449 CE2 PHE A 93 12.073 5.894 8.575 1.00 60.55 C ATOM 1450 CZ PHE A 93 11.011 5.061 8.859 1.00 70.20 C ATOM 0 H PHE A 93 10.872 3.904 3.695 1.00 54.43 H new ATOM 0 HA PHE A 93 11.276 6.689 4.284 1.00 35.14 H new ATOM 0 HB2 PHE A 93 12.901 4.150 4.596 1.00 11.22 H new ATOM 0 HB3 PHE A 93 13.602 5.721 4.935 1.00 11.22 H new ATOM 0 HD1 PHE A 93 10.592 3.671 5.825 1.00 44.44 H new ATOM 0 HD2 PHE A 93 13.434 6.578 7.084 1.00 12.03 H new ATOM 0 HE1 PHE A 93 9.649 3.610 8.090 1.00 22.40 H new ATOM 0 HE2 PHE A 93 12.491 6.521 9.349 1.00 60.55 H new ATOM 0 HZ PHE A 93 10.596 5.035 9.856 1.00 70.20 H new ATOM 1460 N ALA A 94 12.240 5.687 1.478 1.00 72.45 N ATOM 1461 CA ALA A 94 12.930 6.027 0.242 1.00 35.42 C ATOM 1462 C ALA A 94 12.126 7.039 -0.563 1.00 2.33 C ATOM 1463 O ALA A 94 12.585 7.539 -1.593 1.00 51.01 O ATOM 1464 CB ALA A 94 13.184 4.775 -0.582 1.00 13.31 C ATOM 0 H ALA A 94 11.501 4.992 1.369 1.00 72.45 H new ATOM 0 HA ALA A 94 13.889 6.478 0.497 1.00 35.42 H new ATOM 0 HB1 ALA A 94 13.701 5.044 -1.503 1.00 13.31 H new ATOM 0 HB2 ALA A 94 13.800 4.082 -0.010 1.00 13.31 H new ATOM 0 HB3 ALA A 94 12.233 4.300 -0.825 1.00 13.31 H new ATOM 1470 N LEU A 95 10.931 7.335 -0.096 1.00 51.23 N ATOM 1471 CA LEU A 95 10.068 8.289 -0.766 1.00 0.11 C ATOM 1472 C LEU A 95 10.134 9.631 -0.075 1.00 2.32 C ATOM 1473 O LEU A 95 10.363 9.702 1.131 1.00 72.22 O ATOM 1474 CB LEU A 95 8.620 7.800 -0.762 1.00 51.43 C ATOM 1475 CG LEU A 95 8.350 6.479 -1.473 1.00 25.43 C ATOM 1476 CD1 LEU A 95 6.886 6.107 -1.331 1.00 41.43 C ATOM 1477 CD2 LEU A 95 8.740 6.568 -2.944 1.00 44.40 C ATOM 0 H LEU A 95 10.532 6.927 0.750 1.00 51.23 H new ATOM 0 HA LEU A 95 10.413 8.389 -1.795 1.00 0.11 H new ATOM 0 HB2 LEU A 95 8.295 7.703 0.274 1.00 51.43 H new ATOM 0 HB3 LEU A 95 7.998 8.569 -1.221 1.00 51.43 H new ATOM 0 HG LEU A 95 8.958 5.702 -1.010 1.00 25.43 H new ATOM 0 HD11 LEU A 95 6.700 5.162 -1.841 1.00 41.43 H new ATOM 0 HD12 LEU A 95 6.638 6.004 -0.275 1.00 41.43 H new ATOM 0 HD13 LEU A 95 6.268 6.887 -1.775 1.00 41.43 H new ATOM 0 HD21 LEU A 95 8.539 5.614 -3.432 1.00 44.40 H new ATOM 0 HD22 LEU A 95 8.159 7.353 -3.428 1.00 44.40 H new ATOM 0 HD23 LEU A 95 9.802 6.800 -3.025 1.00 44.40 H new ATOM 1489 N ARG A 96 9.946 10.689 -0.835 1.00 64.25 N ATOM 1490 CA ARG A 96 9.914 12.032 -0.287 1.00 42.44 C ATOM 1491 C ARG A 96 8.475 12.523 -0.237 1.00 21.13 C ATOM 1492 O ARG A 96 7.562 11.820 -0.684 1.00 34.12 O ATOM 1493 CB ARG A 96 10.763 12.969 -1.135 1.00 53.25 C ATOM 1494 CG ARG A 96 12.212 12.542 -1.235 1.00 31.15 C ATOM 1495 CD ARG A 96 12.927 13.284 -2.341 1.00 60.24 C ATOM 1496 NE ARG A 96 14.279 12.774 -2.550 1.00 74.15 N ATOM 1497 CZ ARG A 96 14.596 11.824 -3.438 1.00 54.54 C ATOM 1498 NH1 ARG A 96 13.639 11.211 -4.137 1.00 51.53 N ATOM 1499 NH2 ARG A 96 15.864 11.463 -3.603 1.00 61.21 N ATOM 0 H ARG A 96 9.811 10.645 -1.845 1.00 64.25 H new ATOM 0 HA ARG A 96 10.324 12.018 0.723 1.00 42.44 H new ATOM 0 HB2 ARG A 96 10.338 13.025 -2.137 1.00 53.25 H new ATOM 0 HB3 ARG A 96 10.716 13.973 -0.712 1.00 53.25 H new ATOM 0 HG2 ARG A 96 12.714 12.727 -0.286 1.00 31.15 H new ATOM 0 HG3 ARG A 96 12.265 11.469 -1.420 1.00 31.15 H new ATOM 0 HD2 ARG A 96 12.358 13.194 -3.266 1.00 60.24 H new ATOM 0 HD3 ARG A 96 12.973 14.345 -2.096 1.00 60.24 H new ATOM 0 HE ARG A 96 15.030 13.167 -1.983 1.00 74.15 H new ATOM 0 HH11 ARG A 96 12.662 11.466 -3.996 1.00 51.53 H new ATOM 0 HH12 ARG A 96 13.885 10.488 -4.813 1.00 51.53 H new ATOM 0 HH21 ARG A 96 16.597 11.910 -3.053 1.00 61.21 H new ATOM 0 HH22 ARG A 96 16.104 10.739 -4.280 1.00 61.21 H new ATOM 1513 N THR A 97 8.269 13.707 0.311 1.00 40.30 N ATOM 1514 CA THR A 97 6.939 14.278 0.423 1.00 10.43 C ATOM 1515 C THR A 97 6.303 14.469 -0.960 1.00 34.00 C ATOM 1516 O THR A 97 6.697 15.353 -1.721 1.00 11.00 O ATOM 1517 CB THR A 97 6.987 15.632 1.157 1.00 33.34 C ATOM 1518 OG1 THR A 97 7.738 15.491 2.375 1.00 41.13 O ATOM 1519 CG2 THR A 97 5.581 16.123 1.484 1.00 3.54 C ATOM 0 H THR A 97 9.012 14.296 0.688 1.00 40.30 H new ATOM 0 HA THR A 97 6.330 13.580 0.998 1.00 10.43 H new ATOM 0 HB THR A 97 7.467 16.362 0.505 1.00 33.34 H new ATOM 0 HG1 THR A 97 7.198 15.013 3.039 1.00 41.13 H new ATOM 0 HG21 THR A 97 5.641 17.080 2.002 1.00 3.54 H new ATOM 0 HG22 THR A 97 5.014 16.245 0.561 1.00 3.54 H new ATOM 0 HG23 THR A 97 5.081 15.395 2.123 1.00 3.54 H new ATOM 1527 N GLY A 98 5.338 13.621 -1.285 1.00 14.23 N ATOM 1528 CA GLY A 98 4.664 13.731 -2.558 1.00 70.12 C ATOM 1529 C GLY A 98 5.077 12.654 -3.545 1.00 72.21 C ATOM 1530 O GLY A 98 4.669 12.688 -4.705 1.00 74.04 O ATOM 0 H GLY A 98 5.011 12.860 -0.689 1.00 14.23 H new ATOM 0 HA2 GLY A 98 3.587 13.676 -2.398 1.00 70.12 H new ATOM 0 HA3 GLY A 98 4.872 14.710 -2.989 1.00 70.12 H new ATOM 1534 N GLU A 99 5.889 11.706 -3.101 1.00 3.42 N ATOM 1535 CA GLU A 99 6.313 10.616 -3.971 1.00 34.10 C ATOM 1536 C GLU A 99 5.562 9.330 -3.655 1.00 3.13 C ATOM 1537 O GLU A 99 5.151 9.098 -2.509 1.00 62.12 O ATOM 1538 CB GLU A 99 7.822 10.384 -3.884 1.00 50.40 C ATOM 1539 CG GLU A 99 8.653 11.533 -4.428 1.00 11.05 C ATOM 1540 CD GLU A 99 10.080 11.126 -4.708 1.00 23.52 C ATOM 1541 OE1 GLU A 99 10.912 11.185 -3.790 1.00 62.13 O ATOM 1542 OE2 GLU A 99 10.373 10.738 -5.859 1.00 21.14 O ATOM 0 H GLU A 99 6.265 11.668 -2.154 1.00 3.42 H new ATOM 0 HA GLU A 99 6.073 10.911 -4.992 1.00 34.10 H new ATOM 0 HB2 GLU A 99 8.094 10.213 -2.842 1.00 50.40 H new ATOM 0 HB3 GLU A 99 8.072 9.476 -4.432 1.00 50.40 H new ATOM 0 HG2 GLU A 99 8.197 11.906 -5.345 1.00 11.05 H new ATOM 0 HG3 GLU A 99 8.646 12.355 -3.712 1.00 11.05 H new ATOM 1549 N MET A 100 5.386 8.501 -4.674 1.00 44.02 N ATOM 1550 CA MET A 100 4.662 7.248 -4.539 1.00 65.52 C ATOM 1551 C MET A 100 5.511 6.085 -5.048 1.00 23.41 C ATOM 1552 O MET A 100 6.161 6.192 -6.085 1.00 30.32 O ATOM 1553 CB MET A 100 3.352 7.313 -5.334 1.00 34.13 C ATOM 1554 CG MET A 100 2.438 6.112 -5.129 1.00 70.33 C ATOM 1555 SD MET A 100 0.943 6.190 -6.139 1.00 51.12 S ATOM 1556 CE MET A 100 1.633 6.029 -7.785 1.00 33.30 C ATOM 0 H MET A 100 5.740 8.678 -5.614 1.00 44.02 H new ATOM 0 HA MET A 100 4.439 7.088 -3.484 1.00 65.52 H new ATOM 0 HB2 MET A 100 2.813 8.218 -5.052 1.00 34.13 H new ATOM 0 HB3 MET A 100 3.588 7.400 -6.395 1.00 34.13 H new ATOM 0 HG2 MET A 100 2.985 5.200 -5.368 1.00 70.33 H new ATOM 0 HG3 MET A 100 2.158 6.050 -4.077 1.00 70.33 H new ATOM 0 HE1 MET A 100 0.837 5.793 -8.492 1.00 33.30 H new ATOM 0 HE2 MET A 100 2.108 6.967 -8.074 1.00 33.30 H new ATOM 0 HE3 MET A 100 2.374 5.229 -7.792 1.00 33.30 H new ATOM 1566 N SER A 101 5.505 4.988 -4.315 1.00 14.43 N ATOM 1567 CA SER A 101 6.247 3.804 -4.709 1.00 63.34 C ATOM 1568 C SER A 101 5.339 2.871 -5.493 1.00 51.32 C ATOM 1569 O SER A 101 4.117 2.902 -5.328 1.00 21.14 O ATOM 1570 CB SER A 101 6.814 3.081 -3.473 1.00 53.42 C ATOM 1571 OG SER A 101 7.575 1.936 -3.838 1.00 54.55 O ATOM 0 H SER A 101 4.992 4.891 -3.439 1.00 14.43 H new ATOM 0 HA SER A 101 7.083 4.106 -5.339 1.00 63.34 H new ATOM 0 HB2 SER A 101 7.440 3.768 -2.904 1.00 53.42 H new ATOM 0 HB3 SER A 101 5.995 2.781 -2.819 1.00 53.42 H new ATOM 0 HG SER A 101 7.921 1.502 -3.030 1.00 54.55 H new ATOM 1577 N GLY A 102 5.935 2.053 -6.344 1.00 33.25 N ATOM 1578 CA GLY A 102 5.171 1.119 -7.131 1.00 60.35 C ATOM 1579 C GLY A 102 4.764 -0.109 -6.335 1.00 62.24 C ATOM 1580 O GLY A 102 4.683 -0.054 -5.105 1.00 63.14 O ATOM 0 H GLY A 102 6.942 2.022 -6.502 1.00 33.25 H new ATOM 0 HA2 GLY A 102 4.278 1.614 -7.513 1.00 60.35 H new ATOM 0 HA3 GLY A 102 5.758 0.810 -7.996 1.00 60.35 H new ATOM 1584 N PRO A 103 4.512 -1.235 -7.012 1.00 4.10 N ATOM 1585 CA PRO A 103 4.083 -2.470 -6.357 1.00 5.35 C ATOM 1586 C PRO A 103 5.142 -3.052 -5.420 1.00 13.20 C ATOM 1587 O PRO A 103 6.198 -3.520 -5.862 1.00 4.11 O ATOM 1588 CB PRO A 103 3.822 -3.434 -7.523 1.00 73.12 C ATOM 1589 CG PRO A 103 4.603 -2.880 -8.664 1.00 51.03 C ATOM 1590 CD PRO A 103 4.621 -1.393 -8.472 1.00 73.12 C ATOM 0 HA PRO A 103 3.214 -2.295 -5.723 1.00 5.35 H new ATOM 0 HB2 PRO A 103 4.145 -4.446 -7.278 1.00 73.12 H new ATOM 0 HB3 PRO A 103 2.760 -3.487 -7.761 1.00 73.12 H new ATOM 0 HG2 PRO A 103 5.615 -3.284 -8.676 1.00 51.03 H new ATOM 0 HG3 PRO A 103 4.143 -3.145 -9.616 1.00 51.03 H new ATOM 0 HD2 PRO A 103 5.539 -0.949 -8.856 1.00 73.12 H new ATOM 0 HD3 PRO A 103 3.793 -0.911 -8.991 1.00 73.12 H new ATOM 1598 N VAL A 104 4.860 -3.002 -4.134 1.00 31.31 N ATOM 1599 CA VAL A 104 5.726 -3.592 -3.136 1.00 61.12 C ATOM 1600 C VAL A 104 5.214 -4.983 -2.809 1.00 72.42 C ATOM 1601 O VAL A 104 4.111 -5.140 -2.278 1.00 33.53 O ATOM 1602 CB VAL A 104 5.771 -2.741 -1.845 1.00 60.32 C ATOM 1603 CG1 VAL A 104 6.629 -3.413 -0.783 1.00 12.03 C ATOM 1604 CG2 VAL A 104 6.291 -1.344 -2.148 1.00 52.11 C ATOM 0 H VAL A 104 4.027 -2.553 -3.753 1.00 31.31 H new ATOM 0 HA VAL A 104 6.738 -3.638 -3.538 1.00 61.12 H new ATOM 0 HB VAL A 104 4.756 -2.656 -1.456 1.00 60.32 H new ATOM 0 HG11 VAL A 104 6.646 -2.796 0.115 1.00 12.03 H new ATOM 0 HG12 VAL A 104 6.212 -4.391 -0.544 1.00 12.03 H new ATOM 0 HG13 VAL A 104 7.645 -3.534 -1.159 1.00 12.03 H new ATOM 0 HG21 VAL A 104 6.316 -0.758 -1.229 1.00 52.11 H new ATOM 0 HG22 VAL A 104 7.297 -1.412 -2.563 1.00 52.11 H new ATOM 0 HG23 VAL A 104 5.633 -0.859 -2.869 1.00 52.11 H new ATOM 1614 N PHE A 105 6.003 -5.982 -3.136 1.00 41.43 N ATOM 1615 CA PHE A 105 5.593 -7.363 -2.973 1.00 33.40 C ATOM 1616 C PHE A 105 5.846 -7.862 -1.559 1.00 63.35 C ATOM 1617 O PHE A 105 6.935 -7.694 -1.006 1.00 4.02 O ATOM 1618 CB PHE A 105 6.309 -8.244 -3.996 1.00 60.40 C ATOM 1619 CG PHE A 105 6.117 -7.773 -5.413 1.00 70.12 C ATOM 1620 CD1 PHE A 105 7.142 -7.127 -6.087 1.00 50.54 C ATOM 1621 CD2 PHE A 105 4.911 -7.965 -6.063 1.00 4.42 C ATOM 1622 CE1 PHE A 105 6.966 -6.683 -7.383 1.00 64.43 C ATOM 1623 CE2 PHE A 105 4.731 -7.524 -7.359 1.00 62.43 C ATOM 1624 CZ PHE A 105 5.759 -6.883 -8.019 1.00 43.11 C ATOM 0 H PHE A 105 6.941 -5.864 -3.520 1.00 41.43 H new ATOM 0 HA PHE A 105 4.518 -7.419 -3.146 1.00 33.40 H new ATOM 0 HB2 PHE A 105 7.374 -8.265 -3.767 1.00 60.40 H new ATOM 0 HB3 PHE A 105 5.943 -9.267 -3.906 1.00 60.40 H new ATOM 0 HD1 PHE A 105 8.089 -6.969 -5.593 1.00 50.54 H new ATOM 0 HD2 PHE A 105 4.102 -8.465 -5.551 1.00 4.42 H new ATOM 0 HE1 PHE A 105 7.772 -6.180 -7.897 1.00 64.43 H new ATOM 0 HE2 PHE A 105 3.785 -7.681 -7.856 1.00 62.43 H new ATOM 0 HZ PHE A 105 5.619 -6.538 -9.033 1.00 43.11 H new ATOM 1634 N THR A 106 4.832 -8.464 -0.974 1.00 14.12 N ATOM 1635 CA THR A 106 4.908 -8.990 0.373 1.00 42.14 C ATOM 1636 C THR A 106 3.952 -10.183 0.507 1.00 3.04 C ATOM 1637 O THR A 106 2.943 -10.251 -0.198 1.00 10.40 O ATOM 1638 CB THR A 106 4.536 -7.892 1.405 1.00 53.01 C ATOM 1639 OG1 THR A 106 5.335 -6.722 1.173 1.00 51.21 O ATOM 1640 CG2 THR A 106 4.761 -8.366 2.833 1.00 23.53 C ATOM 0 H THR A 106 3.926 -8.603 -1.422 1.00 14.12 H new ATOM 0 HA THR A 106 5.929 -9.317 0.572 1.00 42.14 H new ATOM 0 HB THR A 106 3.478 -7.663 1.279 1.00 53.01 H new ATOM 0 HG1 THR A 106 5.216 -6.092 1.914 1.00 51.21 H new ATOM 0 HG21 THR A 106 4.490 -7.571 3.527 1.00 23.53 H new ATOM 0 HG22 THR A 106 4.144 -9.243 3.027 1.00 23.53 H new ATOM 0 HG23 THR A 106 5.811 -8.624 2.969 1.00 23.53 H new ATOM 1648 N ASP A 107 4.273 -11.116 1.400 1.00 15.33 N ATOM 1649 CA ASP A 107 3.453 -12.320 1.603 1.00 53.14 C ATOM 1650 C ASP A 107 2.039 -11.975 2.065 1.00 2.21 C ATOM 1651 O ASP A 107 1.108 -12.744 1.857 1.00 65.03 O ATOM 1652 CB ASP A 107 4.115 -13.268 2.610 1.00 41.14 C ATOM 1653 CG ASP A 107 5.390 -13.885 2.085 1.00 71.24 C ATOM 1654 OD1 ASP A 107 5.327 -14.991 1.511 1.00 5.02 O ATOM 1655 OD2 ASP A 107 6.461 -13.263 2.235 1.00 1.34 O ATOM 0 H ASP A 107 5.097 -11.066 1.999 1.00 15.33 H new ATOM 0 HA ASP A 107 3.379 -12.821 0.638 1.00 53.14 H new ATOM 0 HB2 ASP A 107 4.333 -12.721 3.527 1.00 41.14 H new ATOM 0 HB3 ASP A 107 3.414 -14.061 2.870 1.00 41.14 H new ATOM 1660 N SER A 108 1.886 -10.815 2.683 1.00 72.12 N ATOM 1661 CA SER A 108 0.583 -10.365 3.152 1.00 1.20 C ATOM 1662 C SER A 108 -0.216 -9.736 2.008 1.00 31.14 C ATOM 1663 O SER A 108 -1.423 -9.538 2.115 1.00 54.15 O ATOM 1664 CB SER A 108 0.765 -9.346 4.271 1.00 3.40 C ATOM 1665 OG SER A 108 1.691 -9.819 5.236 1.00 52.23 O ATOM 0 H SER A 108 2.649 -10.166 2.872 1.00 72.12 H new ATOM 0 HA SER A 108 0.032 -11.227 3.527 1.00 1.20 H new ATOM 0 HB2 SER A 108 1.116 -8.401 3.856 1.00 3.40 H new ATOM 0 HB3 SER A 108 -0.195 -9.147 4.748 1.00 3.40 H new ATOM 0 HG SER A 108 1.795 -9.150 5.945 1.00 52.23 H new ATOM 1671 N GLY A 109 0.469 -9.429 0.921 1.00 52.15 N ATOM 1672 CA GLY A 109 -0.169 -8.804 -0.209 1.00 4.04 C ATOM 1673 C GLY A 109 0.712 -7.749 -0.824 1.00 25.25 C ATOM 1674 O GLY A 109 1.785 -7.447 -0.294 1.00 22.04 O ATOM 0 H GLY A 109 1.467 -9.605 0.803 1.00 52.15 H new ATOM 0 HA2 GLY A 109 -0.410 -9.560 -0.957 1.00 4.04 H new ATOM 0 HA3 GLY A 109 -1.111 -8.355 0.106 1.00 4.04 H new ATOM 1678 N ILE A 110 0.277 -7.186 -1.931 1.00 61.14 N ATOM 1679 CA ILE A 110 1.035 -6.145 -2.596 1.00 53.22 C ATOM 1680 C ILE A 110 0.661 -4.797 -1.997 1.00 52.31 C ATOM 1681 O ILE A 110 -0.492 -4.580 -1.609 1.00 63.00 O ATOM 1682 CB ILE A 110 0.786 -6.143 -4.129 1.00 44.51 C ATOM 1683 CG1 ILE A 110 1.064 -7.537 -4.710 1.00 41.23 C ATOM 1684 CG2 ILE A 110 1.665 -5.098 -4.813 1.00 11.21 C ATOM 1685 CD1 ILE A 110 0.848 -7.637 -6.207 1.00 42.13 C ATOM 0 H ILE A 110 -0.600 -7.432 -2.391 1.00 61.14 H new ATOM 0 HA ILE A 110 2.097 -6.338 -2.442 1.00 53.22 H new ATOM 0 HB ILE A 110 -0.258 -5.887 -4.312 1.00 44.51 H new ATOM 0 HG12 ILE A 110 2.093 -7.815 -4.483 1.00 41.23 H new ATOM 0 HG13 ILE A 110 0.420 -8.262 -4.211 1.00 41.23 H new ATOM 0 HG21 ILE A 110 1.477 -5.111 -5.887 1.00 11.21 H new ATOM 0 HG22 ILE A 110 1.432 -4.110 -4.416 1.00 11.21 H new ATOM 0 HG23 ILE A 110 2.714 -5.326 -4.626 1.00 11.21 H new ATOM 0 HD11 ILE A 110 1.065 -8.652 -6.539 1.00 42.13 H new ATOM 0 HD12 ILE A 110 -0.188 -7.392 -6.442 1.00 42.13 H new ATOM 0 HD13 ILE A 110 1.511 -6.939 -6.718 1.00 42.13 H new ATOM 1697 N HIS A 111 1.627 -3.907 -1.881 1.00 41.00 N ATOM 1698 CA HIS A 111 1.378 -2.619 -1.267 1.00 43.11 C ATOM 1699 C HIS A 111 1.800 -1.476 -2.165 1.00 31.34 C ATOM 1700 O HIS A 111 2.787 -1.575 -2.891 1.00 61.42 O ATOM 1701 CB HIS A 111 2.141 -2.490 0.060 1.00 50.24 C ATOM 1702 CG HIS A 111 2.117 -3.707 0.929 1.00 22.12 C ATOM 1703 ND1 HIS A 111 0.962 -4.338 1.320 1.00 73.25 N ATOM 1704 CD2 HIS A 111 3.129 -4.405 1.488 1.00 73.24 C ATOM 1705 CE1 HIS A 111 1.266 -5.367 2.086 1.00 63.24 C ATOM 1706 NE2 HIS A 111 2.572 -5.429 2.204 1.00 73.51 N ATOM 0 H HIS A 111 2.585 -4.051 -2.201 1.00 41.00 H new ATOM 0 HA HIS A 111 0.303 -2.562 -1.093 1.00 43.11 H new ATOM 0 HB2 HIS A 111 3.179 -2.240 -0.159 1.00 50.24 H new ATOM 0 HB3 HIS A 111 1.723 -1.654 0.621 1.00 50.24 H new ATOM 0 HD1 HIS A 111 0.017 -4.055 1.059 1.00 73.25 H new ATOM 0 HD2 HIS A 111 4.183 -4.194 1.388 1.00 73.24 H new ATOM 0 HE1 HIS A 111 0.559 -6.045 2.540 1.00 63.24 H new ATOM 1715 N ILE A 112 1.035 -0.404 -2.121 1.00 12.30 N ATOM 1716 CA ILE A 112 1.398 0.837 -2.784 1.00 53.33 C ATOM 1717 C ILE A 112 1.672 1.862 -1.696 1.00 2.32 C ATOM 1718 O ILE A 112 0.894 1.969 -0.741 1.00 63.45 O ATOM 1719 CB ILE A 112 0.274 1.367 -3.712 1.00 75.54 C ATOM 1720 CG1 ILE A 112 -0.172 0.283 -4.698 1.00 71.34 C ATOM 1721 CG2 ILE A 112 0.752 2.604 -4.468 1.00 41.14 C ATOM 1722 CD1 ILE A 112 -1.309 0.718 -5.606 1.00 61.53 C ATOM 0 H ILE A 112 0.144 -0.366 -1.626 1.00 12.30 H new ATOM 0 HA ILE A 112 2.270 0.659 -3.414 1.00 53.33 H new ATOM 0 HB ILE A 112 -0.581 1.641 -3.093 1.00 75.54 H new ATOM 0 HG12 ILE A 112 0.680 -0.011 -5.311 1.00 71.34 H new ATOM 0 HG13 ILE A 112 -0.482 -0.600 -4.139 1.00 71.34 H new ATOM 0 HG21 ILE A 112 -0.047 2.966 -5.116 1.00 41.14 H new ATOM 0 HG22 ILE A 112 1.023 3.384 -3.756 1.00 41.14 H new ATOM 0 HG23 ILE A 112 1.622 2.347 -5.073 1.00 41.14 H new ATOM 0 HD11 ILE A 112 -1.572 -0.100 -6.277 1.00 61.53 H new ATOM 0 HD12 ILE A 112 -2.176 0.984 -5.001 1.00 61.53 H new ATOM 0 HD13 ILE A 112 -0.996 1.582 -6.192 1.00 61.53 H new ATOM 1734 N ILE A 113 2.764 2.590 -1.808 1.00 0.13 N ATOM 1735 CA ILE A 113 3.142 3.532 -0.762 1.00 63.13 C ATOM 1736 C ILE A 113 3.093 4.967 -1.258 1.00 20.14 C ATOM 1737 O ILE A 113 3.654 5.290 -2.299 1.00 24.11 O ATOM 1738 CB ILE A 113 4.564 3.242 -0.233 1.00 11.32 C ATOM 1739 CG1 ILE A 113 4.725 1.755 0.074 1.00 44.31 C ATOM 1740 CG2 ILE A 113 4.844 4.074 1.017 1.00 73.21 C ATOM 1741 CD1 ILE A 113 6.126 1.368 0.480 1.00 2.42 C ATOM 0 H ILE A 113 3.403 2.552 -2.602 1.00 0.13 H new ATOM 0 HA ILE A 113 2.419 3.405 0.044 1.00 63.13 H new ATOM 0 HB ILE A 113 5.284 3.517 -1.004 1.00 11.32 H new ATOM 0 HG12 ILE A 113 4.036 1.481 0.873 1.00 44.31 H new ATOM 0 HG13 ILE A 113 4.439 1.178 -0.805 1.00 44.31 H new ATOM 0 HG21 ILE A 113 5.850 3.860 1.379 1.00 73.21 H new ATOM 0 HG22 ILE A 113 4.764 5.134 0.774 1.00 73.21 H new ATOM 0 HG23 ILE A 113 4.119 3.823 1.791 1.00 73.21 H new ATOM 0 HD11 ILE A 113 6.164 0.298 0.682 1.00 2.42 H new ATOM 0 HD12 ILE A 113 6.818 1.609 -0.327 1.00 2.42 H new ATOM 0 HD13 ILE A 113 6.409 1.917 1.378 1.00 2.42 H new ATOM 1753 N LEU A 114 2.427 5.816 -0.504 1.00 23.32 N ATOM 1754 CA LEU A 114 2.334 7.230 -0.823 1.00 14.44 C ATOM 1755 C LEU A 114 2.737 8.035 0.401 1.00 60.54 C ATOM 1756 O LEU A 114 2.078 7.966 1.433 1.00 60.43 O ATOM 1757 CB LEU A 114 0.890 7.577 -1.272 1.00 13.01 C ATOM 1758 CG LEU A 114 0.613 9.026 -1.749 1.00 53.33 C ATOM 1759 CD1 LEU A 114 0.445 9.986 -0.579 1.00 62.34 C ATOM 1760 CD2 LEU A 114 1.715 9.506 -2.678 1.00 73.31 C ATOM 0 H LEU A 114 1.934 5.548 0.348 1.00 23.32 H new ATOM 0 HA LEU A 114 3.006 7.476 -1.645 1.00 14.44 H new ATOM 0 HB2 LEU A 114 0.618 6.900 -2.082 1.00 13.01 H new ATOM 0 HB3 LEU A 114 0.219 7.364 -0.440 1.00 13.01 H new ATOM 0 HG LEU A 114 -0.328 9.012 -2.299 1.00 53.33 H new ATOM 0 HD11 LEU A 114 0.253 10.990 -0.957 1.00 62.34 H new ATOM 0 HD12 LEU A 114 -0.393 9.664 0.038 1.00 62.34 H new ATOM 0 HD13 LEU A 114 1.356 9.992 0.020 1.00 62.34 H new ATOM 0 HD21 LEU A 114 1.501 10.525 -3.001 1.00 73.31 H new ATOM 0 HD22 LEU A 114 2.669 9.485 -2.152 1.00 73.31 H new ATOM 0 HD23 LEU A 114 1.767 8.853 -3.549 1.00 73.31 H new ATOM 1772 N ARG A 115 3.827 8.776 0.303 1.00 1.41 N ATOM 1773 CA ARG A 115 4.288 9.558 1.437 1.00 23.24 C ATOM 1774 C ARG A 115 3.537 10.879 1.541 1.00 35.51 C ATOM 1775 O ARG A 115 3.745 11.798 0.735 1.00 12.23 O ATOM 1776 CB ARG A 115 5.799 9.797 1.381 1.00 11.44 C ATOM 1777 CG ARG A 115 6.309 10.664 2.524 1.00 13.22 C ATOM 1778 CD ARG A 115 7.822 10.739 2.553 1.00 3.23 C ATOM 1779 NE ARG A 115 8.288 11.796 3.448 1.00 62.40 N ATOM 1780 CZ ARG A 115 9.559 12.030 3.761 1.00 5.51 C ATOM 1781 NH1 ARG A 115 10.527 11.267 3.273 1.00 34.12 N ATOM 1782 NH2 ARG A 115 9.859 13.037 4.560 1.00 52.30 N ATOM 0 H ARG A 115 4.402 8.853 -0.536 1.00 1.41 H new ATOM 0 HA ARG A 115 4.076 8.977 2.334 1.00 23.24 H new ATOM 0 HB2 ARG A 115 6.314 8.837 1.404 1.00 11.44 H new ATOM 0 HB3 ARG A 115 6.051 10.271 0.433 1.00 11.44 H new ATOM 0 HG2 ARG A 115 5.899 11.669 2.427 1.00 13.22 H new ATOM 0 HG3 ARG A 115 5.948 10.263 3.471 1.00 13.22 H new ATOM 0 HD2 ARG A 115 8.229 9.781 2.877 1.00 3.23 H new ATOM 0 HD3 ARG A 115 8.198 10.921 1.546 1.00 3.23 H new ATOM 0 HE ARG A 115 7.582 12.402 3.866 1.00 62.40 H new ATOM 0 HH11 ARG A 115 10.300 10.491 2.651 1.00 34.12 H new ATOM 0 HH12 ARG A 115 11.499 11.456 3.520 1.00 34.12 H new ATOM 0 HH21 ARG A 115 9.118 13.630 4.933 1.00 52.30 H new ATOM 0 HH22 ARG A 115 10.832 13.222 4.804 1.00 52.30 H new ATOM 1796 N THR A 116 2.663 10.959 2.534 1.00 2.11 N ATOM 1797 CA THR A 116 1.871 12.144 2.781 1.00 25.43 C ATOM 1798 C THR A 116 2.761 13.291 3.263 1.00 34.33 C ATOM 1799 O THR A 116 2.684 14.412 2.748 1.00 2.20 O ATOM 1800 CB THR A 116 0.783 11.860 3.842 1.00 12.34 C ATOM 1801 OG1 THR A 116 0.081 10.658 3.500 1.00 1.50 O ATOM 1802 CG2 THR A 116 -0.207 13.014 3.927 1.00 42.22 C ATOM 0 H THR A 116 2.486 10.199 3.190 1.00 2.11 H new ATOM 0 HA THR A 116 1.391 12.429 1.845 1.00 25.43 H new ATOM 0 HB THR A 116 1.269 11.745 4.811 1.00 12.34 H new ATOM 0 HG1 THR A 116 -0.032 10.106 4.302 1.00 1.50 H new ATOM 0 HG21 THR A 116 -0.963 12.790 4.680 1.00 42.22 H new ATOM 0 HG22 THR A 116 0.321 13.927 4.203 1.00 42.22 H new ATOM 0 HG23 THR A 116 -0.689 13.152 2.959 1.00 42.22 H new ATOM 1810 N GLU A 117 3.607 13.005 4.242 1.00 3.12 N ATOM 1811 CA GLU A 117 4.509 14.003 4.796 1.00 54.51 C ATOM 1812 C GLU A 117 5.888 13.419 4.989 1.00 50.32 C ATOM 1813 O GLU A 117 6.052 12.556 5.874 1.00 0.00 O ATOM 1814 CB GLU A 117 3.983 14.559 6.120 1.00 72.33 C ATOM 1815 CG GLU A 117 2.694 15.346 5.992 1.00 42.44 C ATOM 1816 CD GLU A 117 2.260 15.951 7.300 1.00 21.25 C ATOM 1817 OE1 GLU A 117 2.617 17.115 7.570 1.00 32.00 O ATOM 1818 OE2 GLU A 117 1.556 15.272 8.063 1.00 15.13 O ATOM 1819 OXT GLU A 117 6.807 13.822 4.253 1.00 0.00 O ATOM 0 H GLU A 117 3.687 12.083 4.671 1.00 3.12 H new ATOM 0 HA GLU A 117 4.568 14.827 4.084 1.00 54.51 H new ATOM 0 HB2 GLU A 117 3.824 13.732 6.812 1.00 72.33 H new ATOM 0 HB3 GLU A 117 4.746 15.201 6.561 1.00 72.33 H new ATOM 0 HG2 GLU A 117 2.826 16.138 5.255 1.00 42.44 H new ATOM 0 HG3 GLU A 117 1.907 14.691 5.619 1.00 42.44 H new TER 1826 GLU A 117