USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 780 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 52 TYR OH : rot 2:sc= -0.0251 USER MOD Set 1.2: A 61 MET CE :methyl -159:sc= -0.0182 (180deg=-0.714) USER MOD Set 1.3: A 63 CYS SG : rot 25:sc= 0.0886 USER MOD Set 2.1: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 66 ASN : amide:sc= -0.388 K(o=-0.39,f=-9.9!) USER MOD Set 3.1: A 22 SER OG : rot -42:sc= 1.36 USER MOD Set 3.2: A 82 SER OG : rot 171:sc= 1.2 USER MOD Set 4.1: A 10 HIS : no HD1:sc= 0.404 K(o=1.3,f=-4!) USER MOD Set 4.2: A 123 THR OG1 : rot 114:sc= 0.92 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0211 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 16 GLN : amide:sc= 1.04 K(o=1,f=-1.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.447 K(o=0.45,f=-7!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.818 K(o=0.82,f=-8.3!) USER MOD Single : A 58 THR OG1 : rot -150:sc= -0.0576 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 72 MET CE :methyl -141:sc= -0.0794 (180deg=-1.07) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 74 CYS SG : rot -170:sc= -1.25 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 150:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -161:sc= 1.16 (180deg=0.852) USER MOD Single : A 89 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.061) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.0955 K(o=-0.095,f=-2.7!) USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= -0.276 (180deg=-0.405) USER MOD Single : A 108 TYR OH : rot 15:sc= -0.0294 USER MOD Single : A 110 THR OG1 : rot 138:sc= 1.66 USER MOD Single : A 113 ASN : amide:sc= 0.288 X(o=0.29,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 116:sc= 1.28 USER MOD Single : A 124 LYS NZ :NH3+ -145:sc= 1.95 (180deg=0.911) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.223 -18.838 -0.896 1.00 60.44 N ATOM 2 CA GLY A 1 13.409 -18.826 0.559 1.00 72.32 C ATOM 3 C GLY A 1 12.885 -17.529 1.139 1.00 12.54 C ATOM 4 O GLY A 1 13.109 -16.464 0.556 1.00 15.34 O ATOM 0 H1 GLY A 1 14.051 -19.276 -1.348 1.00 60.44 H new ATOM 0 H2 GLY A 1 12.370 -19.384 -1.132 1.00 60.44 H new ATOM 0 H3 GLY A 1 13.116 -17.863 -1.240 1.00 60.44 H new ATOM 0 HA2 GLY A 1 12.887 -19.671 1.007 1.00 72.32 H new ATOM 0 HA3 GLY A 1 14.466 -18.940 0.799 1.00 72.32 H new ATOM 8 N ALA A 2 12.185 -17.608 2.272 1.00 24.11 N ATOM 9 CA ALA A 2 11.541 -16.492 2.951 1.00 13.51 C ATOM 10 C ALA A 2 11.532 -16.710 4.471 1.00 14.32 C ATOM 11 O ALA A 2 11.774 -17.825 4.950 1.00 35.22 O ATOM 12 CB ALA A 2 10.109 -16.374 2.425 1.00 13.15 C ATOM 0 H ALA A 2 12.048 -18.493 2.760 1.00 24.11 H new ATOM 0 HA ALA A 2 12.093 -15.573 2.752 1.00 13.51 H new ATOM 0 HB1 ALA A 2 9.607 -15.543 2.920 1.00 13.15 H new ATOM 0 HB2 ALA A 2 10.130 -16.196 1.350 1.00 13.15 H new ATOM 0 HB3 ALA A 2 9.569 -17.298 2.629 1.00 13.15 H new ATOM 18 N SER A 3 11.182 -15.663 5.221 1.00 53.24 N ATOM 19 CA SER A 3 11.131 -15.596 6.682 1.00 62.13 C ATOM 20 C SER A 3 9.852 -14.863 7.118 1.00 4.45 C ATOM 21 O SER A 3 9.899 -13.934 7.927 1.00 40.43 O ATOM 22 CB SER A 3 12.384 -14.857 7.177 1.00 51.22 C ATOM 23 OG SER A 3 13.566 -15.608 6.979 1.00 40.44 O ATOM 0 H SER A 3 10.908 -14.779 4.793 1.00 53.24 H new ATOM 0 HA SER A 3 11.111 -16.597 7.113 1.00 62.13 H new ATOM 0 HB2 SER A 3 12.470 -13.904 6.655 1.00 51.22 H new ATOM 0 HB3 SER A 3 12.274 -14.631 8.238 1.00 51.22 H new ATOM 0 HG SER A 3 14.336 -15.098 7.307 1.00 40.44 H new ATOM 28 N ASP A 4 8.702 -15.208 6.538 1.00 55.14 N ATOM 29 CA ASP A 4 7.653 -14.237 6.225 1.00 2.43 C ATOM 30 C ASP A 4 6.249 -14.741 6.554 1.00 33.45 C ATOM 31 O ASP A 4 5.268 -14.481 5.851 1.00 42.31 O ATOM 32 CB ASP A 4 7.782 -13.861 4.752 1.00 1.34 C ATOM 33 CG ASP A 4 7.127 -14.867 3.804 1.00 51.41 C ATOM 34 OD1 ASP A 4 7.285 -16.091 4.011 1.00 31.42 O ATOM 35 OD2 ASP A 4 6.362 -14.419 2.916 1.00 73.00 O ATOM 0 H ASP A 4 8.472 -16.166 6.273 1.00 55.14 H new ATOM 0 HA ASP A 4 7.791 -13.359 6.855 1.00 2.43 H new ATOM 0 HB2 ASP A 4 7.332 -12.881 4.595 1.00 1.34 H new ATOM 0 HB3 ASP A 4 8.839 -13.771 4.500 1.00 1.34 H new ATOM 39 N PHE A 5 6.089 -15.401 7.689 1.00 71.23 N ATOM 40 CA PHE A 5 5.038 -16.415 7.866 1.00 35.31 C ATOM 41 C PHE A 5 3.740 -15.801 8.441 1.00 42.33 C ATOM 42 O PHE A 5 2.873 -16.478 9.002 1.00 2.42 O ATOM 43 CB PHE A 5 5.581 -17.507 8.801 1.00 31.11 C ATOM 44 CG PHE A 5 5.132 -18.937 8.536 1.00 42.22 C ATOM 45 CD1 PHE A 5 3.951 -19.242 7.827 1.00 64.32 C ATOM 46 CD2 PHE A 5 5.914 -19.992 9.047 1.00 31.24 C ATOM 47 CE1 PHE A 5 3.541 -20.576 7.666 1.00 64.41 C ATOM 48 CE2 PHE A 5 5.493 -21.324 8.908 1.00 20.13 C ATOM 49 CZ PHE A 5 4.301 -21.615 8.225 1.00 43.32 C ATOM 0 H PHE A 5 6.673 -15.258 8.513 1.00 71.23 H new ATOM 0 HA PHE A 5 4.780 -16.839 6.896 1.00 35.31 H new ATOM 0 HB2 PHE A 5 6.670 -17.481 8.754 1.00 31.11 H new ATOM 0 HB3 PHE A 5 5.299 -17.248 9.822 1.00 31.11 H new ATOM 0 HD1 PHE A 5 3.358 -18.444 7.405 1.00 64.32 H new ATOM 0 HD2 PHE A 5 6.845 -19.774 9.550 1.00 31.24 H new ATOM 0 HE1 PHE A 5 2.642 -20.802 7.112 1.00 64.41 H new ATOM 0 HE2 PHE A 5 6.085 -22.124 9.326 1.00 20.13 H new ATOM 0 HZ PHE A 5 3.969 -22.638 8.130 1.00 43.32 H new ATOM 58 N GLN A 6 3.583 -14.505 8.212 1.00 32.23 N ATOM 59 CA GLN A 6 2.512 -13.610 8.592 1.00 44.34 C ATOM 60 C GLN A 6 1.785 -13.184 7.315 1.00 51.11 C ATOM 61 O GLN A 6 2.331 -12.496 6.447 1.00 13.33 O ATOM 62 CB GLN A 6 3.072 -12.424 9.395 1.00 3.52 C ATOM 63 CG GLN A 6 4.460 -11.969 8.925 1.00 43.43 C ATOM 64 CD GLN A 6 4.921 -10.696 9.623 1.00 13.13 C ATOM 65 OE1 GLN A 6 5.479 -10.755 10.715 1.00 40.20 O ATOM 66 NE2 GLN A 6 4.755 -9.533 9.026 1.00 21.24 N ATOM 0 H GLN A 6 4.297 -13.998 7.689 1.00 32.23 H new ATOM 0 HA GLN A 6 1.794 -14.102 9.248 1.00 44.34 H new ATOM 0 HB2 GLN A 6 2.379 -11.586 9.321 1.00 3.52 H new ATOM 0 HB3 GLN A 6 3.126 -12.701 10.448 1.00 3.52 H new ATOM 0 HG2 GLN A 6 5.182 -12.764 9.111 1.00 43.43 H new ATOM 0 HG3 GLN A 6 4.439 -11.803 7.848 1.00 43.43 H new ATOM 0 HE21 GLN A 6 4.291 -9.487 8.119 1.00 21.24 H new ATOM 0 HE22 GLN A 6 5.090 -8.679 9.471 1.00 21.24 H new ATOM 73 N THR A 7 0.549 -13.633 7.199 1.00 1.25 N ATOM 74 CA THR A 7 -0.440 -13.292 6.186 1.00 33.44 C ATOM 75 C THR A 7 -1.753 -12.985 6.927 1.00 55.34 C ATOM 76 O THR A 7 -1.727 -12.670 8.123 1.00 15.24 O ATOM 77 CB THR A 7 -0.552 -14.398 5.118 1.00 40.42 C ATOM 78 OG1 THR A 7 -0.973 -15.638 5.658 1.00 75.01 O ATOM 79 CG2 THR A 7 0.746 -14.625 4.340 1.00 52.42 C ATOM 0 H THR A 7 0.176 -14.305 7.869 1.00 1.25 H new ATOM 0 HA THR A 7 -0.150 -12.409 5.617 1.00 33.44 H new ATOM 0 HB THR A 7 -1.311 -14.025 4.430 1.00 40.42 H new ATOM 0 HG1 THR A 7 -1.030 -16.304 4.942 1.00 75.01 H new ATOM 0 HG21 THR A 7 0.596 -15.416 3.605 1.00 52.42 H new ATOM 0 HG22 THR A 7 1.030 -13.705 3.829 1.00 52.42 H new ATOM 0 HG23 THR A 7 1.538 -14.916 5.030 1.00 52.42 H new ATOM 87 N GLY A 8 -2.891 -12.965 6.237 1.00 53.23 N ATOM 88 CA GLY A 8 -4.188 -13.038 6.890 1.00 52.32 C ATOM 89 C GLY A 8 -5.204 -12.263 6.080 1.00 2.14 C ATOM 90 O GLY A 8 -5.797 -12.844 5.177 1.00 40.32 O ATOM 0 H GLY A 8 -2.937 -12.898 5.220 1.00 53.23 H new ATOM 0 HA2 GLY A 8 -4.501 -14.078 6.987 1.00 52.32 H new ATOM 0 HA3 GLY A 8 -4.123 -12.630 7.899 1.00 52.32 H new ATOM 94 N ILE A 9 -5.390 -10.975 6.369 1.00 63.41 N ATOM 95 CA ILE A 9 -6.165 -10.040 5.572 1.00 3.11 C ATOM 96 C ILE A 9 -5.380 -8.736 5.582 1.00 53.53 C ATOM 97 O ILE A 9 -5.265 -8.096 6.637 1.00 35.02 O ATOM 98 CB ILE A 9 -7.598 -9.819 6.104 1.00 2.21 C ATOM 99 CG1 ILE A 9 -8.334 -11.093 6.572 1.00 42.43 C ATOM 100 CG2 ILE A 9 -8.384 -9.147 4.964 1.00 33.21 C ATOM 101 CD1 ILE A 9 -8.005 -11.526 8.011 1.00 31.24 C ATOM 0 H ILE A 9 -4.986 -10.543 7.200 1.00 63.41 H new ATOM 0 HA ILE A 9 -6.301 -10.438 4.566 1.00 3.11 H new ATOM 0 HB ILE A 9 -7.530 -9.207 7.004 1.00 2.21 H new ATOM 0 HG12 ILE A 9 -9.408 -10.927 6.492 1.00 42.43 H new ATOM 0 HG13 ILE A 9 -8.087 -11.910 5.894 1.00 42.43 H new ATOM 0 HG21 ILE A 9 -9.409 -8.966 5.286 1.00 33.21 H new ATOM 0 HG22 ILE A 9 -7.912 -8.199 4.706 1.00 33.21 H new ATOM 0 HG23 ILE A 9 -8.388 -9.799 4.091 1.00 33.21 H new ATOM 0 HD11 ILE A 9 -8.565 -12.428 8.257 1.00 31.24 H new ATOM 0 HD12 ILE A 9 -6.937 -11.728 8.095 1.00 31.24 H new ATOM 0 HD13 ILE A 9 -8.279 -10.729 8.702 1.00 31.24 H new ATOM 112 N HIS A 10 -4.803 -8.367 4.438 1.00 35.21 N ATOM 113 CA HIS A 10 -4.062 -7.122 4.330 1.00 0.14 C ATOM 114 C HIS A 10 -5.081 -5.989 4.197 1.00 4.22 C ATOM 115 O HIS A 10 -6.106 -6.123 3.517 1.00 1.41 O ATOM 116 CB HIS A 10 -3.105 -7.161 3.133 1.00 22.44 C ATOM 117 CG HIS A 10 -1.957 -8.142 3.272 1.00 72.41 C ATOM 118 ND1 HIS A 10 -0.620 -7.820 3.231 1.00 63.30 N ATOM 119 CD2 HIS A 10 -2.044 -9.491 3.501 1.00 13.54 C ATOM 120 CE1 HIS A 10 0.081 -8.942 3.473 1.00 52.53 C ATOM 121 NE2 HIS A 10 -0.745 -9.986 3.664 1.00 20.45 N ATOM 0 H HIS A 10 -4.837 -8.915 3.578 1.00 35.21 H new ATOM 0 HA HIS A 10 -3.446 -6.964 5.215 1.00 0.14 H new ATOM 0 HB2 HIS A 10 -3.674 -7.413 2.238 1.00 22.44 H new ATOM 0 HB3 HIS A 10 -2.695 -6.163 2.980 1.00 22.44 H new ATOM 0 HD2 HIS A 10 -2.955 -10.070 3.547 1.00 13.54 H new ATOM 0 HE1 HIS A 10 1.159 -8.997 3.509 1.00 52.53 H new ATOM 0 HE2 HIS A 10 -0.478 -10.946 3.884 1.00 20.45 H new ATOM 128 N LYS A 11 -4.800 -4.863 4.845 1.00 35.12 N ATOM 129 CA LYS A 11 -5.597 -3.641 4.767 1.00 14.35 C ATOM 130 C LYS A 11 -4.613 -2.491 4.611 1.00 41.42 C ATOM 131 O LYS A 11 -3.434 -2.642 4.949 1.00 53.31 O ATOM 132 CB LYS A 11 -6.497 -3.487 6.017 1.00 42.43 C ATOM 133 CG LYS A 11 -7.343 -4.747 6.307 1.00 40.30 C ATOM 134 CD LYS A 11 -8.599 -4.523 7.162 1.00 74.34 C ATOM 135 CE LYS A 11 -8.289 -4.095 8.600 1.00 32.04 C ATOM 136 NZ LYS A 11 -9.525 -3.898 9.388 1.00 63.13 N ATOM 0 H LYS A 11 -3.989 -4.772 5.457 1.00 35.12 H new ATOM 0 HA LYS A 11 -6.281 -3.662 3.918 1.00 14.35 H new ATOM 0 HB2 LYS A 11 -5.873 -3.267 6.883 1.00 42.43 H new ATOM 0 HB3 LYS A 11 -7.161 -2.634 5.878 1.00 42.43 H new ATOM 0 HG2 LYS A 11 -7.646 -5.185 5.356 1.00 40.30 H new ATOM 0 HG3 LYS A 11 -6.710 -5.480 6.808 1.00 40.30 H new ATOM 0 HD2 LYS A 11 -9.219 -3.761 6.690 1.00 74.34 H new ATOM 0 HD3 LYS A 11 -9.184 -5.443 7.183 1.00 74.34 H new ATOM 0 HE2 LYS A 11 -7.668 -4.852 9.079 1.00 32.04 H new ATOM 0 HE3 LYS A 11 -7.713 -3.170 8.589 1.00 32.04 H new ATOM 0 HZ1 LYS A 11 -9.277 -3.609 10.356 1.00 63.13 H new ATOM 0 HZ2 LYS A 11 -10.106 -3.159 8.944 1.00 63.13 H new ATOM 0 HZ3 LYS A 11 -10.062 -4.788 9.419 1.00 63.13 H new ATOM 146 N ILE A 12 -5.022 -1.352 4.079 1.00 20.11 N ATOM 147 CA ILE A 12 -4.200 -0.171 4.018 1.00 61.01 C ATOM 148 C ILE A 12 -5.087 0.987 4.441 1.00 13.34 C ATOM 149 O ILE A 12 -6.304 0.910 4.273 1.00 74.12 O ATOM 150 CB ILE A 12 -3.633 -0.073 2.587 1.00 42.40 C ATOM 151 CG1 ILE A 12 -2.315 0.704 2.605 1.00 14.45 C ATOM 152 CG2 ILE A 12 -4.569 0.559 1.543 1.00 60.04 C ATOM 153 CD1 ILE A 12 -1.255 0.048 1.709 1.00 0.22 C ATOM 0 H ILE A 12 -5.949 -1.227 3.673 1.00 20.11 H new ATOM 0 HA ILE A 12 -3.337 -0.178 4.684 1.00 61.01 H new ATOM 0 HB ILE A 12 -3.494 -1.107 2.272 1.00 42.40 H new ATOM 0 HG12 ILE A 12 -2.491 1.727 2.271 1.00 14.45 H new ATOM 0 HG13 ILE A 12 -1.941 0.763 3.627 1.00 14.45 H new ATOM 0 HG21 ILE A 12 -4.072 0.579 0.573 1.00 60.04 H new ATOM 0 HG22 ILE A 12 -5.483 -0.030 1.470 1.00 60.04 H new ATOM 0 HG23 ILE A 12 -4.816 1.577 1.845 1.00 60.04 H new ATOM 0 HD11 ILE A 12 -0.334 0.630 1.749 1.00 0.22 H new ATOM 0 HD12 ILE A 12 -1.059 -0.966 2.059 1.00 0.22 H new ATOM 0 HD13 ILE A 12 -1.618 0.013 0.682 1.00 0.22 H new ATOM 164 N VAL A 13 -4.499 2.052 4.972 1.00 33.12 N ATOM 165 CA VAL A 13 -5.224 3.203 5.490 1.00 51.24 C ATOM 166 C VAL A 13 -4.439 4.426 5.031 1.00 34.03 C ATOM 167 O VAL A 13 -3.221 4.501 5.249 1.00 24.41 O ATOM 168 CB VAL A 13 -5.319 3.109 7.031 1.00 40.14 C ATOM 169 CG1 VAL A 13 -6.235 4.210 7.565 1.00 41.40 C ATOM 170 CG2 VAL A 13 -5.870 1.760 7.529 1.00 13.12 C ATOM 0 H VAL A 13 -3.486 2.140 5.056 1.00 33.12 H new ATOM 0 HA VAL A 13 -6.250 3.256 5.124 1.00 51.24 H new ATOM 0 HB VAL A 13 -4.299 3.217 7.399 1.00 40.14 H new ATOM 0 HG11 VAL A 13 -6.297 4.137 8.651 1.00 41.40 H new ATOM 0 HG12 VAL A 13 -5.832 5.184 7.289 1.00 41.40 H new ATOM 0 HG13 VAL A 13 -7.231 4.095 7.136 1.00 41.40 H new ATOM 0 HG21 VAL A 13 -5.910 1.763 8.618 1.00 13.12 H new ATOM 0 HG22 VAL A 13 -6.873 1.607 7.130 1.00 13.12 H new ATOM 0 HG23 VAL A 13 -5.218 0.954 7.192 1.00 13.12 H new ATOM 180 N ILE A 14 -5.098 5.368 4.358 1.00 31.41 N ATOM 181 CA ILE A 14 -4.428 6.476 3.692 1.00 63.05 C ATOM 182 C ILE A 14 -5.155 7.728 4.154 1.00 12.42 C ATOM 183 O ILE A 14 -6.379 7.718 4.189 1.00 33.40 O ATOM 184 CB ILE A 14 -4.512 6.282 2.162 1.00 22.22 C ATOM 185 CG1 ILE A 14 -4.066 4.877 1.677 1.00 55.42 C ATOM 186 CG2 ILE A 14 -3.697 7.392 1.490 1.00 23.20 C ATOM 187 CD1 ILE A 14 -4.496 4.584 0.238 1.00 72.23 C ATOM 0 H ILE A 14 -6.113 5.381 4.261 1.00 31.41 H new ATOM 0 HA ILE A 14 -3.368 6.543 3.937 1.00 63.05 H new ATOM 0 HB ILE A 14 -5.561 6.349 1.874 1.00 22.22 H new ATOM 0 HG12 ILE A 14 -2.981 4.799 1.750 1.00 55.42 H new ATOM 0 HG13 ILE A 14 -4.485 4.119 2.338 1.00 55.42 H new ATOM 0 HG21 ILE A 14 -3.743 7.273 0.408 1.00 23.20 H new ATOM 0 HG22 ILE A 14 -4.108 8.363 1.766 1.00 23.20 H new ATOM 0 HG23 ILE A 14 -2.659 7.331 1.818 1.00 23.20 H new ATOM 0 HD11 ILE A 14 -4.157 3.588 -0.047 1.00 72.23 H new ATOM 0 HD12 ILE A 14 -5.583 4.632 0.166 1.00 72.23 H new ATOM 0 HD13 ILE A 14 -4.055 5.323 -0.431 1.00 72.23 H new ATOM 198 N GLN A 15 -4.453 8.786 4.550 1.00 63.11 N ATOM 199 CA GLN A 15 -5.093 9.979 5.093 1.00 32.10 C ATOM 200 C GLN A 15 -4.370 11.214 4.571 1.00 12.24 C ATOM 201 O GLN A 15 -3.219 11.126 4.118 1.00 44.21 O ATOM 202 CB GLN A 15 -5.106 9.932 6.631 1.00 35.30 C ATOM 203 CG GLN A 15 -5.657 8.626 7.219 1.00 55.21 C ATOM 204 CD GLN A 15 -5.605 8.602 8.745 1.00 72.33 C ATOM 205 OE1 GLN A 15 -6.003 9.552 9.415 1.00 52.44 O ATOM 206 NE2 GLN A 15 -5.107 7.530 9.331 1.00 51.41 N ATOM 0 H GLN A 15 -3.435 8.841 4.504 1.00 63.11 H new ATOM 0 HA GLN A 15 -6.132 10.022 4.766 1.00 32.10 H new ATOM 0 HB2 GLN A 15 -4.090 10.081 6.996 1.00 35.30 H new ATOM 0 HB3 GLN A 15 -5.703 10.765 7.003 1.00 35.30 H new ATOM 0 HG2 GLN A 15 -6.688 8.491 6.892 1.00 55.21 H new ATOM 0 HG3 GLN A 15 -5.085 7.785 6.826 1.00 55.21 H new ATOM 0 HE21 GLN A 15 -4.779 6.746 8.767 1.00 51.41 H new ATOM 0 HE22 GLN A 15 -5.050 7.485 10.348 1.00 51.41 H new ATOM 213 N GLN A 16 -5.042 12.364 4.619 1.00 13.42 N ATOM 214 CA GLN A 16 -4.500 13.614 4.116 1.00 35.14 C ATOM 215 C GLN A 16 -4.863 14.773 5.042 1.00 41.03 C ATOM 216 O GLN A 16 -5.941 14.798 5.635 1.00 12.21 O ATOM 217 CB GLN A 16 -4.978 13.847 2.671 1.00 20.11 C ATOM 218 CG GLN A 16 -6.405 14.380 2.524 1.00 42.14 C ATOM 219 CD GLN A 16 -6.728 14.617 1.050 1.00 31.21 C ATOM 220 OE1 GLN A 16 -6.148 15.472 0.394 1.00 14.40 O ATOM 221 NE2 GLN A 16 -7.641 13.857 0.487 1.00 20.24 N ATOM 0 H GLN A 16 -5.980 12.449 5.010 1.00 13.42 H new ATOM 0 HA GLN A 16 -3.412 13.556 4.099 1.00 35.14 H new ATOM 0 HB2 GLN A 16 -4.296 14.549 2.190 1.00 20.11 H new ATOM 0 HB3 GLN A 16 -4.903 12.906 2.126 1.00 20.11 H new ATOM 0 HG2 GLN A 16 -7.113 13.669 2.949 1.00 42.14 H new ATOM 0 HG3 GLN A 16 -6.513 15.310 3.082 1.00 42.14 H new ATOM 0 HE21 GLN A 16 -8.122 13.145 1.037 1.00 20.24 H new ATOM 0 HE22 GLN A 16 -7.868 13.979 -0.500 1.00 20.24 H new ATOM 228 N SER A 17 -3.994 15.780 5.073 1.00 23.44 N ATOM 229 CA SER A 17 -4.308 17.131 5.506 1.00 23.21 C ATOM 230 C SER A 17 -3.701 18.094 4.479 1.00 44.04 C ATOM 231 O SER A 17 -2.835 17.673 3.702 1.00 54.32 O ATOM 232 CB SER A 17 -3.740 17.379 6.917 1.00 14.41 C ATOM 233 OG SER A 17 -4.254 16.459 7.875 1.00 40.25 O ATOM 0 H SER A 17 -3.021 15.670 4.787 1.00 23.44 H new ATOM 0 HA SER A 17 -5.385 17.286 5.563 1.00 23.21 H new ATOM 0 HB2 SER A 17 -2.653 17.301 6.888 1.00 14.41 H new ATOM 0 HB3 SER A 17 -3.978 18.396 7.229 1.00 14.41 H new ATOM 0 HG SER A 17 -3.866 16.652 8.754 1.00 40.25 H new ATOM 238 N GLY A 18 -4.127 19.359 4.457 1.00 63.14 N ATOM 239 CA GLY A 18 -3.572 20.385 3.584 1.00 72.44 C ATOM 240 C GLY A 18 -4.660 21.096 2.786 1.00 32.52 C ATOM 241 O GLY A 18 -5.808 21.190 3.225 1.00 12.32 O ATOM 0 H GLY A 18 -4.879 19.700 5.056 1.00 63.14 H new ATOM 0 HA2 GLY A 18 -3.024 21.114 4.181 1.00 72.44 H new ATOM 0 HA3 GLY A 18 -2.856 19.931 2.899 1.00 72.44 H new ATOM 245 N ASP A 19 -4.305 21.603 1.606 1.00 75.45 N ATOM 246 CA ASP A 19 -5.253 22.210 0.661 1.00 73.44 C ATOM 247 C ASP A 19 -5.840 21.118 -0.234 1.00 15.03 C ATOM 248 O ASP A 19 -5.491 20.966 -1.402 1.00 62.24 O ATOM 249 CB ASP A 19 -4.626 23.340 -0.162 1.00 55.32 C ATOM 250 CG ASP A 19 -5.715 24.036 -0.980 1.00 63.51 C ATOM 251 OD1 ASP A 19 -6.607 24.651 -0.356 1.00 4.24 O ATOM 252 OD2 ASP A 19 -5.665 24.036 -2.225 1.00 14.31 O ATOM 0 H ASP A 19 -3.341 21.606 1.272 1.00 75.45 H new ATOM 0 HA ASP A 19 -6.054 22.676 1.234 1.00 73.44 H new ATOM 0 HB2 ASP A 19 -4.137 24.057 0.497 1.00 55.32 H new ATOM 0 HB3 ASP A 19 -3.858 22.940 -0.824 1.00 55.32 H new ATOM 256 N THR A 20 -6.703 20.298 0.353 1.00 0.02 N ATOM 257 CA THR A 20 -7.074 18.955 -0.086 1.00 51.05 C ATOM 258 C THR A 20 -7.934 18.899 -1.366 1.00 54.05 C ATOM 259 O THR A 20 -8.581 17.882 -1.617 1.00 74.53 O ATOM 260 CB THR A 20 -7.721 18.243 1.122 1.00 20.12 C ATOM 261 OG1 THR A 20 -8.737 19.034 1.737 1.00 41.42 O ATOM 262 CG2 THR A 20 -6.680 17.996 2.224 1.00 0.33 C ATOM 0 H THR A 20 -7.195 20.570 1.204 1.00 0.02 H new ATOM 0 HA THR A 20 -6.173 18.429 -0.402 1.00 51.05 H new ATOM 0 HB THR A 20 -8.138 17.317 0.725 1.00 20.12 H new ATOM 0 HG1 THR A 20 -9.119 18.544 2.495 1.00 41.42 H new ATOM 0 HG21 THR A 20 -7.155 17.494 3.067 1.00 0.33 H new ATOM 0 HG22 THR A 20 -5.878 17.370 1.833 1.00 0.33 H new ATOM 0 HG23 THR A 20 -6.268 18.949 2.555 1.00 0.33 H new ATOM 270 N ASP A 21 -7.991 19.971 -2.167 1.00 64.41 N ATOM 271 CA ASP A 21 -8.759 20.012 -3.418 1.00 53.05 C ATOM 272 C ASP A 21 -7.944 20.473 -4.631 1.00 40.14 C ATOM 273 O ASP A 21 -8.460 20.463 -5.750 1.00 41.25 O ATOM 274 CB ASP A 21 -10.033 20.856 -3.250 1.00 21.10 C ATOM 275 CG ASP A 21 -11.260 19.957 -3.302 1.00 1.32 C ATOM 276 OD1 ASP A 21 -11.604 19.494 -4.415 1.00 60.31 O ATOM 277 OD2 ASP A 21 -11.824 19.653 -2.228 1.00 14.41 O ATOM 0 H ASP A 21 -7.501 20.842 -1.963 1.00 64.41 H new ATOM 0 HA ASP A 21 -9.043 18.981 -3.631 1.00 53.05 H new ATOM 0 HB2 ASP A 21 -10.003 21.391 -2.301 1.00 21.10 H new ATOM 0 HB3 ASP A 21 -10.088 21.608 -4.037 1.00 21.10 H new ATOM 281 N SER A 22 -6.680 20.862 -4.450 1.00 72.35 N ATOM 282 CA SER A 22 -5.844 21.375 -5.536 1.00 14.21 C ATOM 283 C SER A 22 -4.860 20.332 -6.076 1.00 51.44 C ATOM 284 O SER A 22 -4.066 20.638 -6.972 1.00 74.33 O ATOM 285 CB SER A 22 -5.142 22.626 -5.017 1.00 21.23 C ATOM 286 OG SER A 22 -4.540 23.334 -6.075 1.00 51.45 O ATOM 0 H SER A 22 -6.208 20.830 -3.546 1.00 72.35 H new ATOM 0 HA SER A 22 -6.468 21.623 -6.394 1.00 14.21 H new ATOM 0 HB2 SER A 22 -5.861 23.267 -4.506 1.00 21.23 H new ATOM 0 HB3 SER A 22 -4.386 22.347 -4.283 1.00 21.23 H new ATOM 0 HG SER A 22 -4.109 22.702 -6.688 1.00 51.45 H new ATOM 291 N PHE A 23 -4.886 19.112 -5.543 1.00 23.23 N ATOM 292 CA PHE A 23 -3.878 18.087 -5.794 1.00 11.21 C ATOM 293 C PHE A 23 -4.467 16.858 -6.472 1.00 74.23 C ATOM 294 O PHE A 23 -5.618 16.473 -6.230 1.00 4.20 O ATOM 295 CB PHE A 23 -3.184 17.699 -4.481 1.00 34.53 C ATOM 296 CG PHE A 23 -2.372 18.827 -3.884 1.00 0.34 C ATOM 297 CD1 PHE A 23 -3.003 19.824 -3.122 1.00 20.51 C ATOM 298 CD2 PHE A 23 -0.986 18.897 -4.094 1.00 73.45 C ATOM 299 CE1 PHE A 23 -2.260 20.890 -2.594 1.00 61.11 C ATOM 300 CE2 PHE A 23 -0.245 19.975 -3.577 1.00 54.42 C ATOM 301 CZ PHE A 23 -0.879 20.973 -2.821 1.00 40.02 C ATOM 0 H PHE A 23 -5.625 18.803 -4.911 1.00 23.23 H new ATOM 0 HA PHE A 23 -3.142 18.508 -6.479 1.00 11.21 H new ATOM 0 HB2 PHE A 23 -3.936 17.379 -3.760 1.00 34.53 H new ATOM 0 HB3 PHE A 23 -2.531 16.845 -4.660 1.00 34.53 H new ATOM 0 HD1 PHE A 23 -4.066 19.769 -2.942 1.00 20.51 H new ATOM 0 HD2 PHE A 23 -0.487 18.120 -4.654 1.00 73.45 H new ATOM 0 HE1 PHE A 23 -2.755 21.651 -2.009 1.00 61.11 H new ATOM 0 HE2 PHE A 23 0.817 20.035 -3.763 1.00 54.42 H new ATOM 0 HZ PHE A 23 -0.309 21.797 -2.418 1.00 40.02 H new ATOM 310 N GLU A 24 -3.647 16.213 -7.291 1.00 52.12 N ATOM 311 CA GLU A 24 -3.833 14.862 -7.774 1.00 64.31 C ATOM 312 C GLU A 24 -3.089 13.962 -6.789 1.00 3.42 C ATOM 313 O GLU A 24 -2.019 14.327 -6.298 1.00 63.25 O ATOM 314 CB GLU A 24 -3.235 14.770 -9.182 1.00 42.45 C ATOM 315 CG GLU A 24 -3.635 13.491 -9.922 1.00 15.24 C ATOM 316 CD GLU A 24 -3.143 13.525 -11.370 1.00 33.43 C ATOM 317 OE1 GLU A 24 -3.694 14.292 -12.189 1.00 1.31 O ATOM 318 OE2 GLU A 24 -2.221 12.754 -11.726 1.00 1.20 O ATOM 0 H GLU A 24 -2.795 16.643 -7.651 1.00 52.12 H new ATOM 0 HA GLU A 24 -4.880 14.566 -7.836 1.00 64.31 H new ATOM 0 HB2 GLU A 24 -3.555 15.634 -9.764 1.00 42.45 H new ATOM 0 HB3 GLU A 24 -2.148 14.818 -9.113 1.00 42.45 H new ATOM 0 HG2 GLU A 24 -3.216 12.624 -9.411 1.00 15.24 H new ATOM 0 HG3 GLU A 24 -4.719 13.379 -9.904 1.00 15.24 H new ATOM 323 N VAL A 25 -3.645 12.799 -6.476 1.00 21.40 N ATOM 324 CA VAL A 25 -3.066 11.803 -5.590 1.00 21.44 C ATOM 325 C VAL A 25 -3.555 10.413 -5.917 1.00 20.13 C ATOM 326 O VAL A 25 -4.484 9.931 -5.283 1.00 63.31 O ATOM 327 CB VAL A 25 -3.236 12.218 -4.124 1.00 51.31 C ATOM 328 CG1 VAL A 25 -4.577 12.800 -3.722 1.00 14.31 C ATOM 329 CG2 VAL A 25 -2.613 11.172 -3.190 1.00 44.41 C ATOM 0 H VAL A 25 -4.550 12.514 -6.850 1.00 21.40 H new ATOM 0 HA VAL A 25 -1.990 11.758 -5.758 1.00 21.44 H new ATOM 0 HB VAL A 25 -2.648 13.127 -3.992 1.00 51.31 H new ATOM 0 HG11 VAL A 25 -4.562 13.050 -2.661 1.00 14.31 H new ATOM 0 HG12 VAL A 25 -4.772 13.700 -4.304 1.00 14.31 H new ATOM 0 HG13 VAL A 25 -5.363 12.068 -3.911 1.00 14.31 H new ATOM 0 HG21 VAL A 25 -2.744 11.485 -2.154 1.00 44.41 H new ATOM 0 HG22 VAL A 25 -3.102 10.210 -3.343 1.00 44.41 H new ATOM 0 HG23 VAL A 25 -1.549 11.077 -3.408 1.00 44.41 H new ATOM 339 N SER A 26 -2.970 9.774 -6.919 1.00 31.50 N ATOM 340 CA SER A 26 -3.508 8.553 -7.501 1.00 75.32 C ATOM 341 C SER A 26 -2.663 7.353 -7.091 1.00 54.24 C ATOM 342 O SER A 26 -1.513 7.198 -7.513 1.00 34.14 O ATOM 343 CB SER A 26 -3.675 8.694 -9.018 1.00 35.34 C ATOM 344 OG SER A 26 -2.792 9.644 -9.597 1.00 60.42 O ATOM 0 H SER A 26 -2.103 10.090 -7.354 1.00 31.50 H new ATOM 0 HA SER A 26 -4.509 8.377 -7.107 1.00 75.32 H new ATOM 0 HB2 SER A 26 -3.510 7.723 -9.486 1.00 35.34 H new ATOM 0 HB3 SER A 26 -4.703 8.983 -9.238 1.00 35.34 H new ATOM 0 HG SER A 26 -2.946 9.687 -10.564 1.00 60.42 H new ATOM 349 N VAL A 27 -3.234 6.514 -6.234 1.00 53.14 N ATOM 350 CA VAL A 27 -2.624 5.268 -5.772 1.00 60.22 C ATOM 351 C VAL A 27 -3.053 4.119 -6.678 1.00 62.12 C ATOM 352 O VAL A 27 -4.252 3.877 -6.811 1.00 13.03 O ATOM 353 CB VAL A 27 -2.972 5.006 -4.290 1.00 61.51 C ATOM 354 CG1 VAL A 27 -2.123 5.944 -3.431 1.00 41.14 C ATOM 355 CG2 VAL A 27 -4.443 5.227 -3.897 1.00 60.23 C ATOM 0 H VAL A 27 -4.155 6.683 -5.831 1.00 53.14 H new ATOM 0 HA VAL A 27 -1.539 5.351 -5.830 1.00 60.22 H new ATOM 0 HB VAL A 27 -2.771 3.947 -4.127 1.00 61.51 H new ATOM 0 HG11 VAL A 27 -2.350 5.779 -2.378 1.00 41.14 H new ATOM 0 HG12 VAL A 27 -1.066 5.745 -3.610 1.00 41.14 H new ATOM 0 HG13 VAL A 27 -2.346 6.978 -3.692 1.00 41.14 H new ATOM 0 HG21 VAL A 27 -4.572 5.014 -2.836 1.00 60.23 H new ATOM 0 HG22 VAL A 27 -4.721 6.262 -4.096 1.00 60.23 H new ATOM 0 HG23 VAL A 27 -5.079 4.562 -4.481 1.00 60.23 H new ATOM 365 N SER A 28 -2.102 3.408 -7.297 1.00 31.13 N ATOM 366 CA SER A 28 -2.374 2.073 -7.821 1.00 35.52 C ATOM 367 C SER A 28 -2.633 1.185 -6.608 1.00 20.35 C ATOM 368 O SER A 28 -1.885 1.261 -5.629 1.00 4.21 O ATOM 369 CB SER A 28 -1.180 1.552 -8.636 1.00 14.15 C ATOM 370 OG SER A 28 -1.569 0.484 -9.481 1.00 13.02 O ATOM 0 H SER A 28 -1.147 3.735 -7.444 1.00 31.13 H new ATOM 0 HA SER A 28 -3.231 2.080 -8.495 1.00 35.52 H new ATOM 0 HB2 SER A 28 -0.764 2.361 -9.236 1.00 14.15 H new ATOM 0 HB3 SER A 28 -0.392 1.218 -7.961 1.00 14.15 H new ATOM 0 HG SER A 28 -0.793 0.171 -9.991 1.00 13.02 H new ATOM 375 N ILE A 29 -3.687 0.370 -6.647 1.00 61.14 N ATOM 376 CA ILE A 29 -4.039 -0.533 -5.563 1.00 63.33 C ATOM 377 C ILE A 29 -4.030 -1.935 -6.172 1.00 12.23 C ATOM 378 O ILE A 29 -4.658 -2.162 -7.208 1.00 4.12 O ATOM 379 CB ILE A 29 -5.375 -0.072 -4.939 1.00 12.51 C ATOM 380 CG1 ILE A 29 -5.151 1.265 -4.184 1.00 12.24 C ATOM 381 CG2 ILE A 29 -5.958 -1.143 -3.999 1.00 15.32 C ATOM 382 CD1 ILE A 29 -6.438 2.000 -3.803 1.00 52.52 C ATOM 0 H ILE A 29 -4.324 0.321 -7.442 1.00 61.14 H new ATOM 0 HA ILE A 29 -3.341 -0.536 -4.726 1.00 63.33 H new ATOM 0 HB ILE A 29 -6.101 0.080 -5.737 1.00 12.51 H new ATOM 0 HG12 ILE A 29 -4.580 1.065 -3.278 1.00 12.24 H new ATOM 0 HG13 ILE A 29 -4.543 1.922 -4.806 1.00 12.24 H new ATOM 0 HG21 ILE A 29 -6.897 -0.785 -3.578 1.00 15.32 H new ATOM 0 HG22 ILE A 29 -6.138 -2.060 -4.560 1.00 15.32 H new ATOM 0 HG23 ILE A 29 -5.252 -1.343 -3.193 1.00 15.32 H new ATOM 0 HD11 ILE A 29 -6.189 2.923 -3.279 1.00 52.52 H new ATOM 0 HD12 ILE A 29 -7.003 2.236 -4.705 1.00 52.52 H new ATOM 0 HD13 ILE A 29 -7.040 1.366 -3.153 1.00 52.52 H new ATOM 393 N GLY A 30 -3.274 -2.844 -5.551 1.00 35.15 N ATOM 394 CA GLY A 30 -3.004 -4.171 -6.075 1.00 63.34 C ATOM 395 C GLY A 30 -2.497 -5.117 -4.993 1.00 4.42 C ATOM 396 O GLY A 30 -2.319 -4.710 -3.841 1.00 20.05 O ATOM 0 H GLY A 30 -2.827 -2.667 -4.652 1.00 35.15 H new ATOM 0 HA2 GLY A 30 -3.913 -4.579 -6.517 1.00 63.34 H new ATOM 0 HA3 GLY A 30 -2.265 -4.103 -6.873 1.00 63.34 H new ATOM 400 N GLY A 31 -2.261 -6.374 -5.362 1.00 43.54 N ATOM 401 CA GLY A 31 -1.786 -7.464 -4.516 1.00 14.54 C ATOM 402 C GLY A 31 -1.910 -8.800 -5.256 1.00 14.45 C ATOM 403 O GLY A 31 -2.606 -8.877 -6.277 1.00 62.11 O ATOM 0 H GLY A 31 -2.407 -6.677 -6.325 1.00 43.54 H new ATOM 0 HA2 GLY A 31 -0.747 -7.290 -4.235 1.00 14.54 H new ATOM 0 HA3 GLY A 31 -2.364 -7.496 -3.593 1.00 14.54 H new ATOM 407 N ALA A 32 -1.284 -9.863 -4.738 1.00 42.33 N ATOM 408 CA ALA A 32 -1.308 -11.202 -5.333 1.00 23.21 C ATOM 409 C ALA A 32 -1.513 -12.283 -4.277 1.00 75.24 C ATOM 410 O ALA A 32 -1.279 -12.044 -3.088 1.00 42.52 O ATOM 411 CB ALA A 32 -0.020 -11.475 -6.110 1.00 51.41 C ATOM 0 H ALA A 32 -0.737 -9.815 -3.878 1.00 42.33 H new ATOM 0 HA ALA A 32 -2.153 -11.233 -6.021 1.00 23.21 H new ATOM 0 HB1 ALA A 32 -0.061 -12.475 -6.543 1.00 51.41 H new ATOM 0 HB2 ALA A 32 0.087 -10.739 -6.907 1.00 51.41 H new ATOM 0 HB3 ALA A 32 0.833 -11.406 -5.435 1.00 51.41 H new ATOM 417 N ASP A 33 -1.905 -13.473 -4.739 1.00 34.35 N ATOM 418 CA ASP A 33 -2.335 -14.617 -3.947 1.00 73.22 C ATOM 419 C ASP A 33 -1.671 -15.917 -4.397 1.00 61.43 C ATOM 420 O ASP A 33 -0.696 -15.912 -5.160 1.00 75.14 O ATOM 421 CB ASP A 33 -3.875 -14.707 -3.895 1.00 73.10 C ATOM 422 CG ASP A 33 -4.619 -15.549 -4.948 1.00 55.30 C ATOM 423 OD1 ASP A 33 -4.008 -16.040 -5.911 1.00 2.52 O ATOM 424 OD2 ASP A 33 -5.801 -15.886 -4.685 1.00 64.11 O ATOM 0 H ASP A 33 -1.930 -13.671 -5.739 1.00 34.35 H new ATOM 0 HA ASP A 33 -1.994 -14.460 -2.924 1.00 73.22 H new ATOM 0 HB2 ASP A 33 -4.147 -15.096 -2.914 1.00 73.10 H new ATOM 0 HB3 ASP A 33 -4.264 -13.691 -3.954 1.00 73.10 H new ATOM 428 N LYS A 34 -2.136 -17.048 -3.853 1.00 11.21 N ATOM 429 CA LYS A 34 -1.659 -18.369 -4.217 1.00 21.03 C ATOM 430 C LYS A 34 -2.272 -18.840 -5.536 1.00 12.32 C ATOM 431 O LYS A 34 -3.035 -19.812 -5.566 1.00 42.40 O ATOM 432 CB LYS A 34 -1.920 -19.350 -3.067 1.00 4.34 C ATOM 433 CG LYS A 34 -1.090 -20.621 -3.274 1.00 31.14 C ATOM 434 CD LYS A 34 -1.673 -21.778 -2.454 1.00 41.33 C ATOM 435 CE LYS A 34 -1.593 -21.535 -0.945 1.00 14.33 C ATOM 436 NZ LYS A 34 -2.452 -22.481 -0.207 1.00 64.12 N ATOM 0 H LYS A 34 -2.864 -17.061 -3.139 1.00 11.21 H new ATOM 0 HA LYS A 34 -0.582 -18.325 -4.382 1.00 21.03 H new ATOM 0 HB2 LYS A 34 -1.662 -18.886 -2.115 1.00 4.34 H new ATOM 0 HB3 LYS A 34 -2.980 -19.600 -3.023 1.00 4.34 H new ATOM 0 HG2 LYS A 34 -1.077 -20.886 -4.331 1.00 31.14 H new ATOM 0 HG3 LYS A 34 -0.057 -20.441 -2.977 1.00 31.14 H new ATOM 0 HD2 LYS A 34 -2.714 -21.930 -2.738 1.00 41.33 H new ATOM 0 HD3 LYS A 34 -1.139 -22.696 -2.698 1.00 41.33 H new ATOM 0 HE2 LYS A 34 -0.561 -21.640 -0.611 1.00 14.33 H new ATOM 0 HE3 LYS A 34 -1.898 -20.513 -0.722 1.00 14.33 H new ATOM 0 HZ1 LYS A 34 -2.378 -22.293 0.813 1.00 64.12 H new ATOM 0 HZ2 LYS A 34 -3.440 -22.362 -0.510 1.00 64.12 H new ATOM 0 HZ3 LYS A 34 -2.144 -23.455 -0.403 1.00 64.12 H new ATOM 446 N GLY A 35 -1.948 -18.172 -6.631 1.00 64.01 N ATOM 447 CA GLY A 35 -2.440 -18.535 -7.952 1.00 14.31 C ATOM 448 C GLY A 35 -3.135 -17.375 -8.637 1.00 63.33 C ATOM 449 O GLY A 35 -4.189 -17.562 -9.242 1.00 73.44 O ATOM 0 H GLY A 35 -1.333 -17.358 -6.630 1.00 64.01 H new ATOM 0 HA2 GLY A 35 -1.607 -18.874 -8.568 1.00 14.31 H new ATOM 0 HA3 GLY A 35 -3.133 -19.372 -7.864 1.00 14.31 H new ATOM 453 N GLY A 36 -2.538 -16.191 -8.553 1.00 74.23 N ATOM 454 CA GLY A 36 -2.985 -15.040 -9.327 1.00 12.31 C ATOM 455 C GLY A 36 -2.995 -13.761 -8.494 1.00 25.15 C ATOM 456 O GLY A 36 -2.177 -13.636 -7.577 1.00 61.02 O ATOM 0 H GLY A 36 -1.736 -16.003 -7.951 1.00 74.23 H new ATOM 0 HA2 GLY A 36 -2.331 -14.906 -10.189 1.00 12.31 H new ATOM 0 HA3 GLY A 36 -3.987 -15.229 -9.713 1.00 12.31 H new ATOM 460 N PRO A 37 -3.824 -12.770 -8.859 1.00 54.12 N ATOM 461 CA PRO A 37 -3.988 -11.523 -8.121 1.00 45.13 C ATOM 462 C PRO A 37 -4.840 -11.745 -6.860 1.00 60.24 C ATOM 463 O PRO A 37 -5.609 -12.708 -6.785 1.00 22.43 O ATOM 464 CB PRO A 37 -4.661 -10.597 -9.121 1.00 50.43 C ATOM 465 CG PRO A 37 -5.602 -11.537 -9.869 1.00 73.41 C ATOM 466 CD PRO A 37 -4.775 -12.815 -9.963 1.00 45.30 C ATOM 0 HA PRO A 37 -3.049 -11.108 -7.755 1.00 45.13 H new ATOM 0 HB2 PRO A 37 -5.203 -9.791 -8.626 1.00 50.43 H new ATOM 0 HB3 PRO A 37 -3.938 -10.130 -9.791 1.00 50.43 H new ATOM 0 HG2 PRO A 37 -6.535 -11.695 -9.327 1.00 73.41 H new ATOM 0 HG3 PRO A 37 -5.866 -11.150 -10.853 1.00 73.41 H new ATOM 0 HD2 PRO A 37 -5.412 -13.696 -9.891 1.00 45.30 H new ATOM 0 HD3 PRO A 37 -4.257 -12.873 -10.920 1.00 45.30 H new ATOM 471 N ALA A 38 -4.739 -10.837 -5.888 1.00 73.00 N ATOM 472 CA ALA A 38 -5.685 -10.752 -4.783 1.00 75.14 C ATOM 473 C ALA A 38 -6.837 -9.848 -5.217 1.00 52.20 C ATOM 474 O ALA A 38 -6.606 -8.819 -5.851 1.00 42.23 O ATOM 475 CB ALA A 38 -5.008 -10.172 -3.537 1.00 41.20 C ATOM 0 H ALA A 38 -3.996 -10.140 -5.848 1.00 73.00 H new ATOM 0 HA ALA A 38 -6.053 -11.747 -4.533 1.00 75.14 H new ATOM 0 HB1 ALA A 38 -5.731 -10.116 -2.723 1.00 41.20 H new ATOM 0 HB2 ALA A 38 -4.178 -10.814 -3.242 1.00 41.20 H new ATOM 0 HB3 ALA A 38 -4.633 -9.173 -3.758 1.00 41.20 H new ATOM 481 N LYS A 39 -8.066 -10.206 -4.851 1.00 14.24 N ATOM 482 CA LYS A 39 -9.234 -9.350 -5.023 1.00 44.40 C ATOM 483 C LYS A 39 -9.151 -8.215 -4.014 1.00 52.32 C ATOM 484 O LYS A 39 -8.771 -8.437 -2.860 1.00 61.43 O ATOM 485 CB LYS A 39 -10.506 -10.160 -4.778 1.00 60.41 C ATOM 486 CG LYS A 39 -10.659 -11.325 -5.766 1.00 23.43 C ATOM 487 CD LYS A 39 -12.006 -12.031 -5.577 1.00 15.34 C ATOM 488 CE LYS A 39 -12.194 -13.119 -6.640 1.00 60.41 C ATOM 489 NZ LYS A 39 -12.935 -14.292 -6.124 1.00 23.01 N ATOM 0 H LYS A 39 -8.279 -11.107 -4.423 1.00 14.24 H new ATOM 0 HA LYS A 39 -9.259 -8.951 -6.037 1.00 44.40 H new ATOM 0 HB2 LYS A 39 -10.495 -10.550 -3.760 1.00 60.41 H new ATOM 0 HB3 LYS A 39 -11.372 -9.503 -4.858 1.00 60.41 H new ATOM 0 HG2 LYS A 39 -10.579 -10.953 -6.788 1.00 23.43 H new ATOM 0 HG3 LYS A 39 -9.847 -12.038 -5.622 1.00 23.43 H new ATOM 0 HD2 LYS A 39 -12.055 -12.474 -4.582 1.00 15.34 H new ATOM 0 HD3 LYS A 39 -12.816 -11.305 -5.643 1.00 15.34 H new ATOM 0 HE2 LYS A 39 -12.729 -12.701 -7.493 1.00 60.41 H new ATOM 0 HE3 LYS A 39 -11.218 -13.441 -7.003 1.00 60.41 H new ATOM 0 HZ1 LYS A 39 -13.036 -14.999 -6.880 1.00 23.01 H new ATOM 0 HZ2 LYS A 39 -12.413 -14.709 -5.327 1.00 23.01 H new ATOM 0 HZ3 LYS A 39 -13.877 -13.993 -5.802 1.00 23.01 H new ATOM 499 N LEU A 40 -9.550 -7.014 -4.423 1.00 55.41 N ATOM 500 CA LEU A 40 -9.363 -5.800 -3.655 1.00 24.34 C ATOM 501 C LEU A 40 -10.748 -5.199 -3.421 1.00 23.02 C ATOM 502 O LEU A 40 -11.666 -5.362 -4.236 1.00 35.12 O ATOM 503 CB LEU A 40 -8.496 -4.833 -4.465 1.00 31.41 C ATOM 504 CG LEU A 40 -7.181 -5.361 -5.065 1.00 55.41 C ATOM 505 CD1 LEU A 40 -6.853 -4.595 -6.347 1.00 73.43 C ATOM 506 CD2 LEU A 40 -6.024 -5.271 -4.072 1.00 4.22 C ATOM 0 H LEU A 40 -10.020 -6.861 -5.315 1.00 55.41 H new ATOM 0 HA LEU A 40 -8.870 -5.997 -2.703 1.00 24.34 H new ATOM 0 HB2 LEU A 40 -9.104 -4.447 -5.283 1.00 31.41 H new ATOM 0 HB3 LEU A 40 -8.252 -3.987 -3.823 1.00 31.41 H new ATOM 0 HG LEU A 40 -7.318 -6.416 -5.301 1.00 55.41 H new ATOM 0 HD11 LEU A 40 -5.921 -4.972 -6.768 1.00 73.43 H new ATOM 0 HD12 LEU A 40 -7.659 -4.731 -7.068 1.00 73.43 H new ATOM 0 HD13 LEU A 40 -6.745 -3.534 -6.120 1.00 73.43 H new ATOM 0 HD21 LEU A 40 -5.115 -5.654 -4.536 1.00 4.22 H new ATOM 0 HD22 LEU A 40 -5.873 -4.231 -3.783 1.00 4.22 H new ATOM 0 HD23 LEU A 40 -6.257 -5.864 -3.187 1.00 4.22 H new ATOM 517 N TYR A 41 -10.895 -4.495 -2.307 1.00 60.11 N ATOM 518 CA TYR A 41 -12.162 -3.999 -1.810 1.00 31.42 C ATOM 519 C TYR A 41 -11.991 -2.533 -1.459 1.00 1.53 C ATOM 520 O TYR A 41 -11.002 -2.149 -0.824 1.00 2.14 O ATOM 521 CB TYR A 41 -12.604 -4.811 -0.590 1.00 1.13 C ATOM 522 CG TYR A 41 -12.922 -6.262 -0.900 1.00 33.15 C ATOM 523 CD1 TYR A 41 -11.892 -7.207 -1.038 1.00 71.14 C ATOM 524 CD2 TYR A 41 -14.255 -6.664 -1.073 1.00 31.43 C ATOM 525 CE1 TYR A 41 -12.183 -8.550 -1.329 1.00 63.03 C ATOM 526 CE2 TYR A 41 -14.563 -8.009 -1.336 1.00 0.11 C ATOM 527 CZ TYR A 41 -13.526 -8.964 -1.448 1.00 43.11 C ATOM 528 OH TYR A 41 -13.825 -10.281 -1.611 1.00 4.51 O ATOM 0 H TYR A 41 -10.107 -4.248 -1.708 1.00 60.11 H new ATOM 0 HA TYR A 41 -12.937 -4.103 -2.570 1.00 31.42 H new ATOM 0 HB2 TYR A 41 -11.817 -4.775 0.163 1.00 1.13 H new ATOM 0 HB3 TYR A 41 -13.485 -4.341 -0.153 1.00 1.13 H new ATOM 0 HD1 TYR A 41 -10.864 -6.897 -0.919 1.00 71.14 H new ATOM 0 HD2 TYR A 41 -15.049 -5.935 -1.004 1.00 31.43 H new ATOM 0 HE1 TYR A 41 -11.382 -9.262 -1.461 1.00 63.03 H new ATOM 0 HE2 TYR A 41 -15.592 -8.314 -1.453 1.00 0.11 H new ATOM 0 HH TYR A 41 -14.797 -10.390 -1.675 1.00 4.51 H new ATOM 537 N ASN A 42 -12.960 -1.725 -1.890 1.00 0.54 N ATOM 538 CA ASN A 42 -13.024 -0.312 -1.534 1.00 53.33 C ATOM 539 C ASN A 42 -13.544 -0.162 -0.110 1.00 35.41 C ATOM 540 O ASN A 42 -13.949 -1.133 0.525 1.00 23.43 O ATOM 541 CB ASN A 42 -13.880 0.498 -2.518 1.00 32.23 C ATOM 542 CG ASN A 42 -15.373 0.453 -2.251 1.00 62.11 C ATOM 543 OD1 ASN A 42 -15.909 1.385 -1.677 1.00 63.31 O ATOM 544 ND2 ASN A 42 -16.070 -0.610 -2.614 1.00 11.33 N ATOM 0 H ASN A 42 -13.721 -2.034 -2.495 1.00 0.54 H new ATOM 0 HA ASN A 42 -12.014 0.093 -1.593 1.00 53.33 H new ATOM 0 HB2 ASN A 42 -13.552 1.537 -2.493 1.00 32.23 H new ATOM 0 HB3 ASN A 42 -13.695 0.130 -3.527 1.00 32.23 H new ATOM 0 HD21 ASN A 42 -17.069 -0.657 -2.414 1.00 11.33 H new ATOM 0 HD22 ASN A 42 -15.609 -1.383 -3.094 1.00 11.33 H new ATOM 550 N ASP A 43 -13.576 1.070 0.388 1.00 53.14 N ATOM 551 CA ASP A 43 -13.883 1.337 1.797 1.00 0.44 C ATOM 552 C ASP A 43 -15.376 1.203 2.144 1.00 53.21 C ATOM 553 O ASP A 43 -15.736 1.203 3.324 1.00 42.34 O ATOM 554 CB ASP A 43 -13.275 2.666 2.274 1.00 23.12 C ATOM 555 CG ASP A 43 -14.222 3.864 2.233 1.00 62.04 C ATOM 556 OD1 ASP A 43 -14.746 4.169 1.139 1.00 14.15 O ATOM 557 OD2 ASP A 43 -14.362 4.534 3.287 1.00 32.02 O ATOM 0 H ASP A 43 -13.392 1.908 -0.164 1.00 53.14 H new ATOM 0 HA ASP A 43 -13.396 0.543 2.363 1.00 0.44 H new ATOM 0 HB2 ASP A 43 -12.919 2.539 3.296 1.00 23.12 H new ATOM 0 HB3 ASP A 43 -12.403 2.890 1.659 1.00 23.12 H new ATOM 561 N LYS A 44 -16.247 0.986 1.153 1.00 0.55 N ATOM 562 CA LYS A 44 -17.632 0.532 1.326 1.00 15.25 C ATOM 563 C LYS A 44 -17.671 -0.976 1.600 1.00 24.05 C ATOM 564 O LYS A 44 -18.739 -1.526 1.860 1.00 61.33 O ATOM 565 CB LYS A 44 -18.462 0.847 0.077 1.00 32.33 C ATOM 566 CG LYS A 44 -18.545 2.351 -0.231 1.00 15.42 C ATOM 567 CD LYS A 44 -19.800 3.022 0.334 1.00 54.31 C ATOM 568 CE LYS A 44 -19.964 4.395 -0.329 1.00 72.02 C ATOM 569 NZ LYS A 44 -21.173 5.099 0.134 1.00 60.41 N ATOM 0 H LYS A 44 -15.999 1.126 0.174 1.00 0.55 H new ATOM 0 HA LYS A 44 -18.058 1.062 2.178 1.00 15.25 H new ATOM 0 HB2 LYS A 44 -18.028 0.331 -0.779 1.00 32.33 H new ATOM 0 HB3 LYS A 44 -19.470 0.454 0.210 1.00 32.33 H new ATOM 0 HG2 LYS A 44 -17.663 2.846 0.176 1.00 15.42 H new ATOM 0 HG3 LYS A 44 -18.521 2.494 -1.311 1.00 15.42 H new ATOM 0 HD2 LYS A 44 -20.677 2.403 0.144 1.00 54.31 H new ATOM 0 HD3 LYS A 44 -19.716 3.132 1.415 1.00 54.31 H new ATOM 0 HE2 LYS A 44 -19.087 5.006 -0.116 1.00 72.02 H new ATOM 0 HE3 LYS A 44 -20.011 4.270 -1.411 1.00 72.02 H new ATOM 0 HZ1 LYS A 44 -21.241 6.021 -0.341 1.00 60.41 H new ATOM 0 HZ2 LYS A 44 -22.014 4.530 -0.092 1.00 60.41 H new ATOM 0 HZ3 LYS A 44 -21.118 5.243 1.163 1.00 60.41 H new ATOM 579 N GLY A 45 -16.521 -1.642 1.535 1.00 22.24 N ATOM 580 CA GLY A 45 -16.322 -3.049 1.794 1.00 73.32 C ATOM 581 C GLY A 45 -16.675 -3.935 0.600 1.00 61.04 C ATOM 582 O GLY A 45 -16.716 -5.160 0.742 1.00 42.51 O ATOM 0 H GLY A 45 -15.651 -1.174 1.282 1.00 22.24 H new ATOM 0 HA2 GLY A 45 -15.281 -3.218 2.069 1.00 73.32 H new ATOM 0 HA3 GLY A 45 -16.929 -3.344 2.650 1.00 73.32 H new ATOM 586 N GLU A 46 -16.906 -3.346 -0.575 1.00 55.32 N ATOM 587 CA GLU A 46 -17.359 -4.030 -1.779 1.00 55.10 C ATOM 588 C GLU A 46 -16.189 -4.244 -2.737 1.00 0.42 C ATOM 589 O GLU A 46 -15.301 -3.388 -2.854 1.00 1.25 O ATOM 590 CB GLU A 46 -18.459 -3.191 -2.442 1.00 15.52 C ATOM 591 CG GLU A 46 -19.821 -3.415 -1.780 1.00 42.30 C ATOM 592 CD GLU A 46 -20.567 -4.585 -2.418 1.00 13.14 C ATOM 593 OE1 GLU A 46 -20.112 -5.747 -2.286 1.00 35.11 O ATOM 594 OE2 GLU A 46 -21.621 -4.316 -3.045 1.00 41.44 O ATOM 0 H GLU A 46 -16.777 -2.344 -0.715 1.00 55.32 H new ATOM 0 HA GLU A 46 -17.761 -5.009 -1.519 1.00 55.10 H new ATOM 0 HB2 GLU A 46 -18.196 -2.135 -2.384 1.00 15.52 H new ATOM 0 HB3 GLU A 46 -18.523 -3.446 -3.500 1.00 15.52 H new ATOM 0 HG2 GLU A 46 -19.683 -3.607 -0.716 1.00 42.30 H new ATOM 0 HG3 GLU A 46 -20.422 -2.509 -1.865 1.00 42.30 H new ATOM 599 N TYR A 47 -16.195 -5.400 -3.401 1.00 60.34 N ATOM 600 CA TYR A 47 -15.187 -5.832 -4.354 1.00 73.01 C ATOM 601 C TYR A 47 -15.252 -4.943 -5.587 1.00 75.30 C ATOM 602 O TYR A 47 -16.324 -4.789 -6.180 1.00 52.31 O ATOM 603 CB TYR A 47 -15.474 -7.284 -4.741 1.00 23.25 C ATOM 604 CG TYR A 47 -14.731 -7.782 -5.960 1.00 0.51 C ATOM 605 CD1 TYR A 47 -13.333 -7.939 -5.933 1.00 22.14 C ATOM 606 CD2 TYR A 47 -15.453 -8.110 -7.120 1.00 51.51 C ATOM 607 CE1 TYR A 47 -12.670 -8.501 -7.039 1.00 11.21 C ATOM 608 CE2 TYR A 47 -14.800 -8.689 -8.217 1.00 64.40 C ATOM 609 CZ TYR A 47 -13.413 -8.926 -8.159 1.00 43.43 C ATOM 610 OH TYR A 47 -12.806 -9.616 -9.160 1.00 30.34 O ATOM 0 H TYR A 47 -16.939 -6.088 -3.280 1.00 60.34 H new ATOM 0 HA TYR A 47 -14.192 -5.759 -3.915 1.00 73.01 H new ATOM 0 HB2 TYR A 47 -15.224 -7.925 -3.896 1.00 23.25 H new ATOM 0 HB3 TYR A 47 -16.544 -7.392 -4.918 1.00 23.25 H new ATOM 0 HD1 TYR A 47 -12.770 -7.629 -5.065 1.00 22.14 H new ATOM 0 HD2 TYR A 47 -16.514 -7.915 -7.167 1.00 51.51 H new ATOM 0 HE1 TYR A 47 -11.595 -8.607 -7.030 1.00 11.21 H new ATOM 0 HE2 TYR A 47 -15.358 -8.952 -9.103 1.00 64.40 H new ATOM 0 HH TYR A 47 -13.464 -9.832 -9.854 1.00 30.34 H new ATOM 619 N ILE A 48 -14.108 -4.391 -5.983 1.00 63.44 N ATOM 620 CA ILE A 48 -14.004 -3.472 -7.114 1.00 60.31 C ATOM 621 C ILE A 48 -12.926 -3.913 -8.117 1.00 63.42 C ATOM 622 O ILE A 48 -12.463 -3.109 -8.925 1.00 63.42 O ATOM 623 CB ILE A 48 -13.868 -2.015 -6.615 1.00 62.40 C ATOM 624 CG1 ILE A 48 -12.808 -1.826 -5.521 1.00 15.25 C ATOM 625 CG2 ILE A 48 -15.220 -1.488 -6.089 1.00 35.13 C ATOM 626 CD1 ILE A 48 -12.243 -0.402 -5.598 1.00 63.41 C ATOM 0 H ILE A 48 -13.216 -4.571 -5.522 1.00 63.44 H new ATOM 0 HA ILE A 48 -14.930 -3.506 -7.687 1.00 60.31 H new ATOM 0 HB ILE A 48 -13.542 -1.446 -7.486 1.00 62.40 H new ATOM 0 HG12 ILE A 48 -13.248 -2.002 -4.539 1.00 15.25 H new ATOM 0 HG13 ILE A 48 -12.007 -2.554 -5.646 1.00 15.25 H new ATOM 0 HG21 ILE A 48 -15.101 -0.461 -5.743 1.00 35.13 H new ATOM 0 HG22 ILE A 48 -15.959 -1.517 -6.890 1.00 35.13 H new ATOM 0 HG23 ILE A 48 -15.557 -2.113 -5.262 1.00 35.13 H new ATOM 0 HD11 ILE A 48 -11.490 -0.267 -4.821 1.00 63.41 H new ATOM 0 HD12 ILE A 48 -11.788 -0.243 -6.576 1.00 63.41 H new ATOM 0 HD13 ILE A 48 -13.049 0.317 -5.452 1.00 63.41 H new ATOM 637 N GLY A 49 -12.548 -5.195 -8.093 1.00 65.40 N ATOM 638 CA GLY A 49 -11.627 -5.797 -9.045 1.00 61.33 C ATOM 639 C GLY A 49 -10.360 -6.273 -8.350 1.00 14.55 C ATOM 640 O GLY A 49 -10.270 -6.288 -7.120 1.00 53.33 O ATOM 0 H GLY A 49 -12.886 -5.854 -7.391 1.00 65.40 H new ATOM 0 HA2 GLY A 49 -12.111 -6.637 -9.543 1.00 61.33 H new ATOM 0 HA3 GLY A 49 -11.372 -5.072 -9.818 1.00 61.33 H new ATOM 644 N ASP A 50 -9.385 -6.703 -9.143 1.00 11.11 N ATOM 645 CA ASP A 50 -8.063 -7.139 -8.687 1.00 73.42 C ATOM 646 C ASP A 50 -6.939 -6.272 -9.264 1.00 71.04 C ATOM 647 O ASP A 50 -5.760 -6.560 -9.045 1.00 43.21 O ATOM 648 CB ASP A 50 -7.852 -8.642 -8.895 1.00 72.31 C ATOM 649 CG ASP A 50 -7.740 -9.077 -10.356 1.00 65.04 C ATOM 650 OD1 ASP A 50 -6.791 -8.688 -11.066 1.00 31.44 O ATOM 651 OD2 ASP A 50 -8.621 -9.848 -10.810 1.00 22.25 O ATOM 0 H ASP A 50 -9.493 -6.761 -10.156 1.00 11.11 H new ATOM 0 HA ASP A 50 -8.022 -6.985 -7.609 1.00 73.42 H new ATOM 0 HB2 ASP A 50 -6.945 -8.943 -8.370 1.00 72.31 H new ATOM 0 HB3 ASP A 50 -8.681 -9.178 -8.433 1.00 72.31 H new ATOM 655 N SER A 51 -7.280 -5.158 -9.921 1.00 14.35 N ATOM 656 CA SER A 51 -6.439 -3.968 -9.976 1.00 45.30 C ATOM 657 C SER A 51 -7.278 -2.751 -10.272 1.00 54.23 C ATOM 658 O SER A 51 -8.373 -2.884 -10.825 1.00 71.43 O ATOM 659 CB SER A 51 -5.401 -4.101 -11.069 1.00 32.21 C ATOM 660 OG SER A 51 -5.959 -4.285 -12.358 1.00 54.24 O ATOM 0 H SER A 51 -8.157 -5.061 -10.433 1.00 14.35 H new ATOM 0 HA SER A 51 -5.948 -3.862 -9.009 1.00 45.30 H new ATOM 0 HB2 SER A 51 -4.776 -3.208 -11.076 1.00 32.21 H new ATOM 0 HB3 SER A 51 -4.749 -4.944 -10.840 1.00 32.21 H new ATOM 0 HG SER A 51 -5.239 -4.362 -13.018 1.00 54.24 H new ATOM 665 N TYR A 52 -6.755 -1.575 -9.939 1.00 23.02 N ATOM 666 CA TYR A 52 -7.314 -0.274 -10.253 1.00 34.44 C ATOM 667 C TYR A 52 -6.387 0.784 -9.661 1.00 23.34 C ATOM 668 O TYR A 52 -5.352 0.465 -9.067 1.00 1.41 O ATOM 669 CB TYR A 52 -8.725 -0.132 -9.656 1.00 10.52 C ATOM 670 CG TYR A 52 -8.844 -0.572 -8.213 1.00 15.33 C ATOM 671 CD1 TYR A 52 -8.586 0.340 -7.174 1.00 40.24 C ATOM 672 CD2 TYR A 52 -9.255 -1.883 -7.914 1.00 15.53 C ATOM 673 CE1 TYR A 52 -8.817 -0.025 -5.840 1.00 55.42 C ATOM 674 CE2 TYR A 52 -9.532 -2.240 -6.590 1.00 54.51 C ATOM 675 CZ TYR A 52 -9.278 -1.328 -5.535 1.00 51.32 C ATOM 676 OH TYR A 52 -9.538 -1.687 -4.246 1.00 43.34 O ATOM 0 H TYR A 52 -5.883 -1.506 -9.415 1.00 23.02 H new ATOM 0 HA TYR A 52 -7.396 -0.153 -11.333 1.00 34.44 H new ATOM 0 HB2 TYR A 52 -9.034 0.911 -9.731 1.00 10.52 H new ATOM 0 HB3 TYR A 52 -9.421 -0.715 -10.259 1.00 10.52 H new ATOM 0 HD1 TYR A 52 -8.208 1.325 -7.404 1.00 40.24 H new ATOM 0 HD2 TYR A 52 -9.357 -2.612 -8.704 1.00 15.53 H new ATOM 0 HE1 TYR A 52 -8.643 0.687 -5.047 1.00 55.42 H new ATOM 0 HE2 TYR A 52 -9.941 -3.215 -6.371 1.00 54.51 H new ATOM 0 HH TYR A 52 -9.379 -0.922 -3.655 1.00 43.34 H new ATOM 685 N SER A 53 -6.779 2.046 -9.762 1.00 13.35 N ATOM 686 CA SER A 53 -6.304 3.095 -8.894 1.00 51.32 C ATOM 687 C SER A 53 -7.494 3.830 -8.294 1.00 3.41 C ATOM 688 O SER A 53 -8.628 3.738 -8.778 1.00 42.33 O ATOM 689 CB SER A 53 -5.345 4.010 -9.659 1.00 62.50 C ATOM 690 OG SER A 53 -5.952 4.491 -10.839 1.00 14.34 O ATOM 0 H SER A 53 -7.447 2.367 -10.463 1.00 13.35 H new ATOM 0 HA SER A 53 -5.734 2.680 -8.063 1.00 51.32 H new ATOM 0 HB2 SER A 53 -5.052 4.848 -9.027 1.00 62.50 H new ATOM 0 HB3 SER A 53 -4.435 3.465 -9.908 1.00 62.50 H new ATOM 0 HG SER A 53 -5.325 5.076 -11.314 1.00 14.34 H new ATOM 695 N ALA A 54 -7.220 4.547 -7.214 1.00 64.31 N ATOM 696 CA ALA A 54 -8.138 5.449 -6.552 1.00 40.24 C ATOM 697 C ALA A 54 -7.354 6.717 -6.264 1.00 2.35 C ATOM 698 O ALA A 54 -6.125 6.676 -6.162 1.00 35.13 O ATOM 699 CB ALA A 54 -8.673 4.780 -5.277 1.00 75.04 C ATOM 0 H ALA A 54 -6.308 4.511 -6.758 1.00 64.31 H new ATOM 0 HA ALA A 54 -9.008 5.692 -7.162 1.00 40.24 H new ATOM 0 HB1 ALA A 54 -9.365 5.456 -4.775 1.00 75.04 H new ATOM 0 HB2 ALA A 54 -9.192 3.858 -5.540 1.00 75.04 H new ATOM 0 HB3 ALA A 54 -7.842 4.550 -4.610 1.00 75.04 H new ATOM 705 N GLN A 55 -8.052 7.840 -6.137 1.00 72.53 N ATOM 706 CA GLN A 55 -7.422 9.114 -5.858 1.00 61.53 C ATOM 707 C GLN A 55 -7.694 9.477 -4.404 1.00 23.51 C ATOM 708 O GLN A 55 -8.777 9.154 -3.897 1.00 35.54 O ATOM 709 CB GLN A 55 -7.926 10.153 -6.867 1.00 42.22 C ATOM 710 CG GLN A 55 -7.067 11.426 -6.812 1.00 55.31 C ATOM 711 CD GLN A 55 -7.475 12.509 -7.805 1.00 63.21 C ATOM 712 OE1 GLN A 55 -7.961 13.568 -7.426 1.00 31.53 O ATOM 713 NE2 GLN A 55 -7.215 12.304 -9.080 1.00 23.32 N ATOM 0 H GLN A 55 -9.067 7.887 -6.225 1.00 72.53 H new ATOM 0 HA GLN A 55 -6.339 9.072 -5.978 1.00 61.53 H new ATOM 0 HB2 GLN A 55 -7.899 9.733 -7.873 1.00 42.22 H new ATOM 0 HB3 GLN A 55 -8.966 10.401 -6.653 1.00 42.22 H new ATOM 0 HG2 GLN A 55 -7.116 11.838 -5.804 1.00 55.31 H new ATOM 0 HG3 GLN A 55 -6.027 11.155 -6.996 1.00 55.31 H new ATOM 0 HE21 GLN A 55 -6.810 11.418 -9.382 1.00 23.32 H new ATOM 0 HE22 GLN A 55 -7.418 13.032 -9.765 1.00 23.32 H new ATOM 720 N ILE A 56 -6.755 10.122 -3.704 1.00 62.11 N ATOM 721 CA ILE A 56 -7.011 10.436 -2.301 1.00 52.31 C ATOM 722 C ILE A 56 -7.748 11.773 -2.261 1.00 74.41 C ATOM 723 O ILE A 56 -7.152 12.834 -2.106 1.00 52.34 O ATOM 724 CB ILE A 56 -5.714 10.319 -1.480 1.00 73.13 C ATOM 725 CG1 ILE A 56 -5.072 8.928 -1.726 1.00 55.22 C ATOM 726 CG2 ILE A 56 -5.946 10.540 0.028 1.00 72.23 C ATOM 727 CD1 ILE A 56 -5.899 7.711 -1.282 1.00 11.43 C ATOM 0 H ILE A 56 -5.851 10.424 -4.067 1.00 62.11 H new ATOM 0 HA ILE A 56 -7.668 9.719 -1.809 1.00 52.31 H new ATOM 0 HB ILE A 56 -5.039 11.108 -1.813 1.00 73.13 H new ATOM 0 HG12 ILE A 56 -4.864 8.830 -2.791 1.00 55.22 H new ATOM 0 HG13 ILE A 56 -4.113 8.897 -1.209 1.00 55.22 H new ATOM 0 HG21 ILE A 56 -4.999 10.446 0.559 1.00 72.23 H new ATOM 0 HG22 ILE A 56 -6.356 11.537 0.191 1.00 72.23 H new ATOM 0 HG23 ILE A 56 -6.647 9.794 0.402 1.00 72.23 H new ATOM 0 HD11 ILE A 56 -5.349 6.797 -1.504 1.00 11.43 H new ATOM 0 HD12 ILE A 56 -6.086 7.770 -0.210 1.00 11.43 H new ATOM 0 HD13 ILE A 56 -6.849 7.702 -1.816 1.00 11.43 H new ATOM 738 N ARG A 57 -9.069 11.731 -2.449 1.00 4.20 N ATOM 739 CA ARG A 57 -9.942 12.903 -2.374 1.00 42.43 C ATOM 740 C ARG A 57 -10.888 12.814 -1.206 1.00 12.00 C ATOM 741 O ARG A 57 -12.039 13.252 -1.266 1.00 34.22 O ATOM 742 CB ARG A 57 -10.676 13.154 -3.688 1.00 20.11 C ATOM 743 CG ARG A 57 -9.710 13.476 -4.834 1.00 55.31 C ATOM 744 CD ARG A 57 -8.872 14.748 -4.594 1.00 22.43 C ATOM 745 NE ARG A 57 -9.651 15.977 -4.810 1.00 4.01 N ATOM 746 CZ ARG A 57 -10.015 16.441 -6.011 1.00 73.31 C ATOM 747 NH1 ARG A 57 -9.631 15.836 -7.131 1.00 51.44 N ATOM 748 NH2 ARG A 57 -10.809 17.493 -6.109 1.00 4.42 N ATOM 0 H ARG A 57 -9.569 10.868 -2.661 1.00 4.20 H new ATOM 0 HA ARG A 57 -9.303 13.770 -2.204 1.00 42.43 H new ATOM 0 HB2 ARG A 57 -11.266 12.275 -3.947 1.00 20.11 H new ATOM 0 HB3 ARG A 57 -11.375 13.980 -3.560 1.00 20.11 H new ATOM 0 HG2 ARG A 57 -9.038 12.630 -4.981 1.00 55.31 H new ATOM 0 HG3 ARG A 57 -10.279 13.594 -5.756 1.00 55.31 H new ATOM 0 HD2 ARG A 57 -8.486 14.739 -3.575 1.00 22.43 H new ATOM 0 HD3 ARG A 57 -8.010 14.744 -5.261 1.00 22.43 H new ATOM 0 HE ARG A 57 -9.933 16.512 -3.988 1.00 4.01 H new ATOM 0 HH11 ARG A 57 -9.047 15.001 -7.085 1.00 51.44 H new ATOM 0 HH12 ARG A 57 -9.920 16.207 -8.036 1.00 51.44 H new ATOM 0 HH21 ARG A 57 -11.148 17.956 -5.266 1.00 4.42 H new ATOM 0 HH22 ARG A 57 -11.083 17.842 -7.028 1.00 4.42 H new ATOM 759 N THR A 58 -10.389 12.217 -0.142 1.00 35.44 N ATOM 760 CA THR A 58 -11.127 12.075 1.079 1.00 52.35 C ATOM 761 C THR A 58 -10.137 12.300 2.216 1.00 51.33 C ATOM 762 O THR A 58 -8.953 11.966 2.084 1.00 35.01 O ATOM 763 CB THR A 58 -11.792 10.685 1.077 1.00 34.25 C ATOM 764 OG1 THR A 58 -10.954 9.699 0.488 1.00 42.30 O ATOM 765 CG2 THR A 58 -13.084 10.733 0.261 1.00 44.43 C ATOM 0 H THR A 58 -9.452 11.816 -0.109 1.00 35.44 H new ATOM 0 HA THR A 58 -11.935 12.797 1.197 1.00 52.35 H new ATOM 0 HB THR A 58 -11.985 10.421 2.117 1.00 34.25 H new ATOM 0 HG1 THR A 58 -11.507 9.005 0.072 1.00 42.30 H new ATOM 0 HG21 THR A 58 -13.552 9.748 0.262 1.00 44.43 H new ATOM 0 HG22 THR A 58 -13.766 11.459 0.703 1.00 44.43 H new ATOM 0 HG23 THR A 58 -12.856 11.026 -0.764 1.00 44.43 H new ATOM 773 N ALA A 59 -10.603 12.876 3.325 1.00 43.53 N ATOM 774 CA ALA A 59 -9.806 13.139 4.515 1.00 42.21 C ATOM 775 C ALA A 59 -9.124 11.855 4.987 1.00 20.11 C ATOM 776 O ALA A 59 -7.977 11.884 5.438 1.00 33.14 O ATOM 777 CB ALA A 59 -10.726 13.694 5.609 1.00 71.03 C ATOM 0 H ALA A 59 -11.572 13.179 3.419 1.00 43.53 H new ATOM 0 HA ALA A 59 -9.029 13.869 4.288 1.00 42.21 H new ATOM 0 HB1 ALA A 59 -10.142 13.896 6.507 1.00 71.03 H new ATOM 0 HB2 ALA A 59 -11.188 14.618 5.261 1.00 71.03 H new ATOM 0 HB3 ALA A 59 -11.502 12.963 5.837 1.00 71.03 H new ATOM 783 N THR A 60 -9.838 10.737 4.867 1.00 21.03 N ATOM 784 CA THR A 60 -9.420 9.422 5.300 1.00 51.45 C ATOM 785 C THR A 60 -9.886 8.413 4.252 1.00 3.13 C ATOM 786 O THR A 60 -10.975 8.556 3.687 1.00 24.35 O ATOM 787 CB THR A 60 -10.011 9.137 6.692 1.00 31.00 C ATOM 788 OG1 THR A 60 -11.410 9.375 6.730 1.00 35.02 O ATOM 789 CG2 THR A 60 -9.358 10.004 7.764 1.00 42.21 C ATOM 0 H THR A 60 -10.766 10.733 4.444 1.00 21.03 H new ATOM 0 HA THR A 60 -8.336 9.352 5.390 1.00 51.45 H new ATOM 0 HB THR A 60 -9.813 8.084 6.892 1.00 31.00 H new ATOM 0 HG1 THR A 60 -11.750 9.182 7.628 1.00 35.02 H new ATOM 0 HG21 THR A 60 -9.799 9.777 8.734 1.00 42.21 H new ATOM 0 HG22 THR A 60 -8.288 9.800 7.795 1.00 42.21 H new ATOM 0 HG23 THR A 60 -9.520 11.056 7.529 1.00 42.21 H new ATOM 797 N MET A 61 -9.052 7.411 4.011 1.00 33.33 N ATOM 798 CA MET A 61 -9.221 6.330 3.059 1.00 3.54 C ATOM 799 C MET A 61 -8.726 5.034 3.672 1.00 44.13 C ATOM 800 O MET A 61 -8.015 5.010 4.682 1.00 33.12 O ATOM 801 CB MET A 61 -8.405 6.608 1.783 1.00 51.23 C ATOM 802 CG MET A 61 -9.310 6.759 0.577 1.00 0.31 C ATOM 803 SD MET A 61 -9.920 5.223 -0.175 1.00 53.41 S ATOM 804 CE MET A 61 -8.375 4.533 -0.822 1.00 71.41 C ATOM 0 H MET A 61 -8.171 7.330 4.518 1.00 33.33 H new ATOM 0 HA MET A 61 -10.279 6.252 2.807 1.00 3.54 H new ATOM 0 HB2 MET A 61 -7.816 7.516 1.915 1.00 51.23 H new ATOM 0 HB3 MET A 61 -7.701 5.793 1.613 1.00 51.23 H new ATOM 0 HG2 MET A 61 -10.170 7.361 0.869 1.00 0.31 H new ATOM 0 HG3 MET A 61 -8.771 7.322 -0.185 1.00 0.31 H new ATOM 0 HE1 MET A 61 -8.599 3.815 -1.610 1.00 71.41 H new ATOM 0 HE2 MET A 61 -7.759 5.336 -1.227 1.00 71.41 H new ATOM 0 HE3 MET A 61 -7.835 4.033 -0.018 1.00 71.41 H new ATOM 812 N SER A 62 -9.030 3.956 2.970 1.00 52.32 N ATOM 813 CA SER A 62 -8.580 2.605 3.213 1.00 34.22 C ATOM 814 C SER A 62 -8.915 1.747 1.992 1.00 31.04 C ATOM 815 O SER A 62 -9.759 2.135 1.183 1.00 73.04 O ATOM 816 CB SER A 62 -9.234 2.072 4.500 1.00 40.10 C ATOM 817 OG SER A 62 -10.630 2.333 4.549 1.00 42.22 O ATOM 0 H SER A 62 -9.643 4.011 2.157 1.00 52.32 H new ATOM 0 HA SER A 62 -7.500 2.573 3.360 1.00 34.22 H new ATOM 0 HB2 SER A 62 -9.066 0.997 4.571 1.00 40.10 H new ATOM 0 HB3 SER A 62 -8.752 2.528 5.365 1.00 40.10 H new ATOM 0 HG SER A 62 -11.001 1.975 5.383 1.00 42.22 H new ATOM 822 N CYS A 63 -8.276 0.586 1.850 1.00 13.41 N ATOM 823 CA CYS A 63 -8.766 -0.544 1.061 1.00 73.04 C ATOM 824 C CYS A 63 -8.341 -1.807 1.806 1.00 4.54 C ATOM 825 O CYS A 63 -7.440 -1.748 2.650 1.00 0.23 O ATOM 826 CB CYS A 63 -8.167 -0.534 -0.361 1.00 3.51 C ATOM 827 SG CYS A 63 -9.042 0.650 -1.425 1.00 74.40 S ATOM 0 H CYS A 63 -7.377 0.400 2.294 1.00 13.41 H new ATOM 0 HA CYS A 63 -9.849 -0.492 0.947 1.00 73.04 H new ATOM 0 HB2 CYS A 63 -7.110 -0.273 -0.313 1.00 3.51 H new ATOM 0 HB3 CYS A 63 -8.230 -1.533 -0.793 1.00 3.51 H new ATOM 0 HG CYS A 63 -9.579 1.579 -0.691 1.00 74.40 H new ATOM 832 N CYS A 64 -8.916 -2.954 1.459 1.00 35.34 N ATOM 833 CA CYS A 64 -8.501 -4.251 1.976 1.00 51.54 C ATOM 834 C CYS A 64 -8.653 -5.318 0.904 1.00 11.42 C ATOM 835 O CYS A 64 -9.029 -5.021 -0.233 1.00 55.42 O ATOM 836 CB CYS A 64 -9.272 -4.593 3.258 1.00 41.14 C ATOM 837 SG CYS A 64 -11.064 -4.370 3.070 1.00 15.23 S ATOM 0 H CYS A 64 -9.694 -3.008 0.802 1.00 35.34 H new ATOM 0 HA CYS A 64 -7.445 -4.210 2.243 1.00 51.54 H new ATOM 0 HB2 CYS A 64 -9.065 -5.626 3.538 1.00 41.14 H new ATOM 0 HB3 CYS A 64 -8.914 -3.963 4.073 1.00 41.14 H new ATOM 0 HG CYS A 64 -11.659 -4.677 4.185 1.00 15.23 H new ATOM 842 N THR A 65 -8.330 -6.555 1.262 1.00 41.11 N ATOM 843 CA THR A 65 -8.393 -7.710 0.386 1.00 22.01 C ATOM 844 C THR A 65 -9.247 -8.789 1.054 1.00 55.24 C ATOM 845 O THR A 65 -9.741 -8.589 2.170 1.00 15.41 O ATOM 846 CB THR A 65 -6.958 -8.121 0.018 1.00 73.34 C ATOM 847 OG1 THR A 65 -6.186 -8.452 1.152 1.00 43.43 O ATOM 848 CG2 THR A 65 -6.257 -6.933 -0.647 1.00 35.25 C ATOM 0 H THR A 65 -8.007 -6.785 2.202 1.00 41.11 H new ATOM 0 HA THR A 65 -8.888 -7.501 -0.562 1.00 22.01 H new ATOM 0 HB THR A 65 -7.035 -8.990 -0.636 1.00 73.34 H new ATOM 0 HG1 THR A 65 -5.283 -8.708 0.870 1.00 43.43 H new ATOM 0 HG21 THR A 65 -5.238 -7.214 -0.912 1.00 35.25 H new ATOM 0 HG22 THR A 65 -6.801 -6.647 -1.548 1.00 35.25 H new ATOM 0 HG23 THR A 65 -6.233 -6.091 0.045 1.00 35.25 H new ATOM 856 N ASN A 66 -9.476 -9.918 0.378 1.00 11.53 N ATOM 857 CA ASN A 66 -9.952 -11.115 1.071 1.00 41.10 C ATOM 858 C ASN A 66 -8.735 -11.891 1.581 1.00 1.44 C ATOM 859 O ASN A 66 -7.586 -11.503 1.349 1.00 72.04 O ATOM 860 CB ASN A 66 -10.915 -11.961 0.218 1.00 54.21 C ATOM 861 CG ASN A 66 -10.246 -12.629 -0.965 1.00 43.42 C ATOM 862 OD1 ASN A 66 -9.240 -13.310 -0.834 1.00 20.35 O ATOM 863 ND2 ASN A 66 -10.721 -12.406 -2.169 1.00 40.23 N ATOM 0 H ASN A 66 -9.343 -10.027 -0.627 1.00 11.53 H new ATOM 0 HA ASN A 66 -10.561 -10.822 1.926 1.00 41.10 H new ATOM 0 HB2 ASN A 66 -11.369 -12.726 0.848 1.00 54.21 H new ATOM 0 HB3 ASN A 66 -11.723 -11.324 -0.143 1.00 54.21 H new ATOM 0 HD21 ASN A 66 -10.251 -12.800 -2.984 1.00 40.23 H new ATOM 0 HD22 ASN A 66 -11.560 -11.839 -2.289 1.00 40.23 H new ATOM 869 N GLY A 67 -8.964 -13.011 2.263 1.00 51.51 N ATOM 870 CA GLY A 67 -7.900 -13.781 2.898 1.00 52.30 C ATOM 871 C GLY A 67 -7.060 -14.617 1.938 1.00 63.10 C ATOM 872 O GLY A 67 -6.386 -15.549 2.373 1.00 23.41 O ATOM 0 H GLY A 67 -9.894 -13.410 2.390 1.00 51.51 H new ATOM 0 HA2 GLY A 67 -7.242 -13.095 3.432 1.00 52.30 H new ATOM 0 HA3 GLY A 67 -8.343 -14.442 3.642 1.00 52.30 H new ATOM 876 N ASN A 68 -7.097 -14.327 0.643 1.00 31.42 N ATOM 877 CA ASN A 68 -6.226 -14.899 -0.360 1.00 40.40 C ATOM 878 C ASN A 68 -5.220 -13.810 -0.717 1.00 34.03 C ATOM 879 O ASN A 68 -5.443 -13.073 -1.680 1.00 42.11 O ATOM 880 CB ASN A 68 -6.997 -15.300 -1.633 1.00 34.15 C ATOM 881 CG ASN A 68 -8.203 -16.196 -1.479 1.00 61.03 C ATOM 882 OD1 ASN A 68 -8.383 -16.881 -0.478 1.00 0.12 O ATOM 883 ND2 ASN A 68 -9.026 -16.213 -2.515 1.00 43.30 N ATOM 0 H ASN A 68 -7.763 -13.660 0.254 1.00 31.42 H new ATOM 0 HA ASN A 68 -5.755 -15.802 0.030 1.00 40.40 H new ATOM 0 HB2 ASN A 68 -7.322 -14.385 -2.129 1.00 34.15 H new ATOM 0 HB3 ASN A 68 -6.297 -15.795 -2.305 1.00 34.15 H new ATOM 0 HD21 ASN A 68 -9.850 -16.813 -2.502 1.00 43.30 H new ATOM 0 HD22 ASN A 68 -8.836 -15.626 -3.327 1.00 43.30 H new ATOM 889 N ALA A 69 -4.117 -13.670 0.014 1.00 75.33 N ATOM 890 CA ALA A 69 -3.007 -12.876 -0.488 1.00 2.24 C ATOM 891 C ALA A 69 -1.700 -13.257 0.186 1.00 22.24 C ATOM 892 O ALA A 69 -1.678 -13.978 1.183 1.00 24.42 O ATOM 893 CB ALA A 69 -3.259 -11.381 -0.270 1.00 44.43 C ATOM 0 H ALA A 69 -3.972 -14.086 0.934 1.00 75.33 H new ATOM 0 HA ALA A 69 -2.930 -13.081 -1.556 1.00 2.24 H new ATOM 0 HB1 ALA A 69 -2.414 -10.810 -0.654 1.00 44.43 H new ATOM 0 HB2 ALA A 69 -4.167 -11.085 -0.796 1.00 44.43 H new ATOM 0 HB3 ALA A 69 -3.376 -11.183 0.796 1.00 44.43 H new ATOM 899 N PHE A 70 -0.627 -12.676 -0.339 1.00 4.23 N ATOM 900 CA PHE A 70 0.672 -12.622 0.306 1.00 54.31 C ATOM 901 C PHE A 70 1.158 -11.185 0.474 1.00 52.22 C ATOM 902 O PHE A 70 2.039 -10.960 1.300 1.00 73.30 O ATOM 903 CB PHE A 70 1.660 -13.481 -0.491 1.00 44.22 C ATOM 904 CG PHE A 70 1.264 -14.944 -0.448 1.00 62.33 C ATOM 905 CD1 PHE A 70 1.285 -15.636 0.776 1.00 44.12 C ATOM 906 CD2 PHE A 70 0.775 -15.584 -1.600 1.00 40.52 C ATOM 907 CE1 PHE A 70 0.773 -16.942 0.867 1.00 75.43 C ATOM 908 CE2 PHE A 70 0.331 -16.913 -1.520 1.00 2.51 C ATOM 909 CZ PHE A 70 0.283 -17.580 -0.283 1.00 52.51 C ATOM 0 H PHE A 70 -0.641 -12.218 -1.250 1.00 4.23 H new ATOM 0 HA PHE A 70 0.592 -13.028 1.314 1.00 54.31 H new ATOM 0 HB2 PHE A 70 1.692 -13.139 -1.526 1.00 44.22 H new ATOM 0 HB3 PHE A 70 2.664 -13.360 -0.084 1.00 44.22 H new ATOM 0 HD1 PHE A 70 1.698 -15.160 1.653 1.00 44.12 H new ATOM 0 HD2 PHE A 70 0.741 -15.056 -2.542 1.00 40.52 H new ATOM 0 HE1 PHE A 70 0.757 -17.453 1.819 1.00 75.43 H new ATOM 0 HE2 PHE A 70 0.023 -17.429 -2.418 1.00 2.51 H new ATOM 0 HZ PHE A 70 -0.128 -18.577 -0.218 1.00 52.51 H new ATOM 918 N PHE A 71 0.593 -10.219 -0.262 1.00 63.41 N ATOM 919 CA PHE A 71 0.894 -8.802 -0.115 1.00 44.32 C ATOM 920 C PHE A 71 -0.260 -7.958 -0.650 1.00 22.45 C ATOM 921 O PHE A 71 -1.194 -8.476 -1.274 1.00 61.32 O ATOM 922 CB PHE A 71 2.198 -8.459 -0.860 1.00 75.21 C ATOM 923 CG PHE A 71 2.095 -8.353 -2.365 1.00 41.32 C ATOM 924 CD1 PHE A 71 2.159 -9.518 -3.147 1.00 35.13 C ATOM 925 CD2 PHE A 71 1.998 -7.093 -2.987 1.00 14.41 C ATOM 926 CE1 PHE A 71 2.137 -9.409 -4.549 1.00 4.41 C ATOM 927 CE2 PHE A 71 1.925 -6.997 -4.385 1.00 62.24 C ATOM 928 CZ PHE A 71 2.002 -8.157 -5.170 1.00 41.52 C ATOM 0 H PHE A 71 -0.098 -10.411 -0.988 1.00 63.41 H new ATOM 0 HA PHE A 71 1.026 -8.578 0.944 1.00 44.32 H new ATOM 0 HB2 PHE A 71 2.575 -7.512 -0.474 1.00 75.21 H new ATOM 0 HB3 PHE A 71 2.941 -9.219 -0.619 1.00 75.21 H new ATOM 0 HD1 PHE A 71 2.224 -10.488 -2.676 1.00 35.13 H new ATOM 0 HD2 PHE A 71 1.980 -6.196 -2.385 1.00 14.41 H new ATOM 0 HE1 PHE A 71 2.225 -10.299 -5.155 1.00 4.41 H new ATOM 0 HE2 PHE A 71 1.810 -6.032 -4.856 1.00 62.24 H new ATOM 0 HZ PHE A 71 1.958 -8.087 -6.247 1.00 41.52 H new ATOM 937 N MET A 72 -0.158 -6.648 -0.452 1.00 21.32 N ATOM 938 CA MET A 72 -0.944 -5.600 -1.087 1.00 72.00 C ATOM 939 C MET A 72 0.040 -4.450 -1.372 1.00 3.43 C ATOM 940 O MET A 72 1.118 -4.416 -0.763 1.00 61.31 O ATOM 941 CB MET A 72 -2.042 -5.181 -0.101 1.00 74.12 C ATOM 942 CG MET A 72 -3.235 -4.409 -0.663 1.00 11.54 C ATOM 943 SD MET A 72 -4.303 -3.829 0.689 1.00 52.44 S ATOM 944 CE MET A 72 -5.656 -3.103 -0.257 1.00 71.23 C ATOM 0 H MET A 72 0.524 -6.266 0.203 1.00 21.32 H new ATOM 0 HA MET A 72 -1.425 -5.911 -2.015 1.00 72.00 H new ATOM 0 HB2 MET A 72 -2.421 -6.081 0.383 1.00 74.12 H new ATOM 0 HB3 MET A 72 -1.582 -4.571 0.676 1.00 74.12 H new ATOM 0 HG2 MET A 72 -2.884 -3.559 -1.249 1.00 11.54 H new ATOM 0 HG3 MET A 72 -3.805 -5.048 -1.338 1.00 11.54 H new ATOM 0 HE1 MET A 72 -5.990 -2.187 0.230 1.00 71.23 H new ATOM 0 HE2 MET A 72 -5.313 -2.873 -1.266 1.00 71.23 H new ATOM 0 HE3 MET A 72 -6.484 -3.810 -0.308 1.00 71.23 H new ATOM 952 N THR A 73 -0.294 -3.518 -2.260 1.00 34.44 N ATOM 953 CA THR A 73 0.520 -2.346 -2.575 1.00 42.14 C ATOM 954 C THR A 73 -0.374 -1.117 -2.763 1.00 11.23 C ATOM 955 O THR A 73 -1.585 -1.237 -2.974 1.00 2.55 O ATOM 956 CB THR A 73 1.440 -2.631 -3.785 1.00 1.55 C ATOM 957 OG1 THR A 73 2.240 -1.497 -4.062 1.00 35.33 O ATOM 958 CG2 THR A 73 0.668 -3.016 -5.049 1.00 41.21 C ATOM 0 H THR A 73 -1.161 -3.557 -2.795 1.00 34.44 H new ATOM 0 HA THR A 73 1.182 -2.123 -1.738 1.00 42.14 H new ATOM 0 HB THR A 73 2.060 -3.483 -3.507 1.00 1.55 H new ATOM 0 HG1 THR A 73 2.821 -1.686 -4.828 1.00 35.33 H new ATOM 0 HG21 THR A 73 1.370 -3.203 -5.861 1.00 41.21 H new ATOM 0 HG22 THR A 73 0.085 -3.917 -4.859 1.00 41.21 H new ATOM 0 HG23 THR A 73 -0.002 -2.203 -5.328 1.00 41.21 H new ATOM 966 N CYS A 74 0.236 0.064 -2.646 1.00 32.32 N ATOM 967 CA CYS A 74 -0.362 1.392 -2.693 1.00 60.13 C ATOM 968 C CYS A 74 0.662 2.382 -3.290 1.00 2.12 C ATOM 969 O CYS A 74 0.839 3.492 -2.784 1.00 0.30 O ATOM 970 CB CYS A 74 -0.818 1.738 -1.267 1.00 54.22 C ATOM 971 SG CYS A 74 -1.707 3.308 -1.183 1.00 55.52 S ATOM 0 H CYS A 74 1.245 0.116 -2.504 1.00 32.32 H new ATOM 0 HA CYS A 74 -1.238 1.443 -3.340 1.00 60.13 H new ATOM 0 HB2 CYS A 74 -1.460 0.941 -0.891 1.00 54.22 H new ATOM 0 HB3 CYS A 74 0.052 1.782 -0.612 1.00 54.22 H new ATOM 0 HG CYS A 74 -1.879 3.643 0.061 1.00 55.52 H new ATOM 976 N ALA A 75 1.413 1.951 -4.305 1.00 73.10 N ATOM 977 CA ALA A 75 2.377 2.778 -5.021 1.00 60.12 C ATOM 978 C ALA A 75 1.642 3.814 -5.881 1.00 54.14 C ATOM 979 O ALA A 75 0.808 3.429 -6.710 1.00 32.55 O ATOM 980 CB ALA A 75 3.285 1.852 -5.836 1.00 62.30 C ATOM 0 H ALA A 75 1.364 0.995 -4.658 1.00 73.10 H new ATOM 0 HA ALA A 75 3.003 3.346 -4.333 1.00 60.12 H new ATOM 0 HB1 ALA A 75 4.016 2.448 -6.382 1.00 62.30 H new ATOM 0 HB2 ALA A 75 3.803 1.167 -5.165 1.00 62.30 H new ATOM 0 HB3 ALA A 75 2.682 1.281 -6.542 1.00 62.30 H new ATOM 986 N GLY A 76 1.913 5.115 -5.705 1.00 13.01 N ATOM 987 CA GLY A 76 1.144 6.165 -6.346 1.00 54.12 C ATOM 988 C GLY A 76 1.950 7.444 -6.435 1.00 63.35 C ATOM 989 O GLY A 76 3.125 7.476 -6.050 1.00 41.24 O ATOM 0 H GLY A 76 2.671 5.457 -5.114 1.00 13.01 H new ATOM 0 HA2 GLY A 76 0.848 5.846 -7.345 1.00 54.12 H new ATOM 0 HA3 GLY A 76 0.228 6.346 -5.784 1.00 54.12 H new ATOM 993 N SER A 77 1.308 8.497 -6.931 1.00 13.04 N ATOM 994 CA SER A 77 1.927 9.802 -7.075 1.00 72.24 C ATOM 995 C SER A 77 1.087 10.894 -6.417 1.00 74.33 C ATOM 996 O SER A 77 -0.050 10.640 -6.009 1.00 75.44 O ATOM 997 CB SER A 77 2.291 10.039 -8.543 1.00 3.10 C ATOM 998 OG SER A 77 1.167 10.083 -9.410 1.00 53.34 O ATOM 0 H SER A 77 0.338 8.465 -7.245 1.00 13.04 H new ATOM 0 HA SER A 77 2.869 9.839 -6.528 1.00 72.24 H new ATOM 0 HB2 SER A 77 2.839 10.978 -8.625 1.00 3.10 H new ATOM 0 HB3 SER A 77 2.963 9.247 -8.874 1.00 3.10 H new ATOM 0 HG SER A 77 1.469 10.238 -10.329 1.00 53.34 H new ATOM 1003 N VAL A 78 1.669 12.082 -6.257 1.00 43.43 N ATOM 1004 CA VAL A 78 1.048 13.293 -5.745 1.00 32.13 C ATOM 1005 C VAL A 78 1.473 14.411 -6.686 1.00 43.21 C ATOM 1006 O VAL A 78 2.672 14.535 -6.937 1.00 1.12 O ATOM 1007 CB VAL A 78 1.530 13.610 -4.314 1.00 20.51 C ATOM 1008 CG1 VAL A 78 0.863 14.876 -3.763 1.00 75.41 C ATOM 1009 CG2 VAL A 78 1.228 12.467 -3.347 1.00 72.34 C ATOM 0 H VAL A 78 2.649 12.229 -6.498 1.00 43.43 H new ATOM 0 HA VAL A 78 -0.035 13.179 -5.699 1.00 32.13 H new ATOM 0 HB VAL A 78 2.608 13.756 -4.388 1.00 20.51 H new ATOM 0 HG11 VAL A 78 1.226 15.069 -2.753 1.00 75.41 H new ATOM 0 HG12 VAL A 78 1.106 15.724 -4.404 1.00 75.41 H new ATOM 0 HG13 VAL A 78 -0.218 14.737 -3.739 1.00 75.41 H new ATOM 0 HG21 VAL A 78 1.583 12.730 -2.351 1.00 72.34 H new ATOM 0 HG22 VAL A 78 0.153 12.292 -3.315 1.00 72.34 H new ATOM 0 HG23 VAL A 78 1.732 11.562 -3.685 1.00 72.34 H new ATOM 1019 N SER A 79 0.541 15.248 -7.139 1.00 24.30 N ATOM 1020 CA SER A 79 0.888 16.371 -8.016 1.00 12.24 C ATOM 1021 C SER A 79 0.021 17.593 -7.732 1.00 73.33 C ATOM 1022 O SER A 79 -1.017 17.468 -7.079 1.00 0.34 O ATOM 1023 CB SER A 79 0.762 15.948 -9.487 1.00 62.45 C ATOM 1024 OG SER A 79 1.521 14.785 -9.762 1.00 44.45 O ATOM 0 H SER A 79 -0.452 15.174 -6.917 1.00 24.30 H new ATOM 0 HA SER A 79 1.922 16.651 -7.814 1.00 12.24 H new ATOM 0 HB2 SER A 79 -0.286 15.764 -9.725 1.00 62.45 H new ATOM 0 HB3 SER A 79 1.097 16.762 -10.130 1.00 62.45 H new ATOM 0 HG SER A 79 1.417 14.542 -10.706 1.00 44.45 H new ATOM 1029 N SER A 80 0.447 18.775 -8.190 1.00 60.35 N ATOM 1030 CA SER A 80 -0.332 20.004 -8.129 1.00 21.52 C ATOM 1031 C SER A 80 0.148 20.996 -9.188 1.00 42.13 C ATOM 1032 O SER A 80 1.294 20.923 -9.642 1.00 23.51 O ATOM 1033 CB SER A 80 -0.249 20.561 -6.703 1.00 55.43 C ATOM 1034 OG SER A 80 0.365 21.832 -6.578 1.00 23.43 O ATOM 0 H SER A 80 1.363 18.900 -8.621 1.00 60.35 H new ATOM 0 HA SER A 80 -1.380 19.808 -8.356 1.00 21.52 H new ATOM 0 HB2 SER A 80 -1.259 20.623 -6.297 1.00 55.43 H new ATOM 0 HB3 SER A 80 0.300 19.850 -6.085 1.00 55.43 H new ATOM 0 HG SER A 80 -0.023 22.309 -5.815 1.00 23.43 H new ATOM 1039 N ILE A 81 -0.711 21.959 -9.525 1.00 53.01 N ATOM 1040 CA ILE A 81 -0.574 22.881 -10.644 1.00 21.32 C ATOM 1041 C ILE A 81 -1.014 24.304 -10.242 1.00 71.52 C ATOM 1042 O ILE A 81 -1.598 25.030 -11.054 1.00 73.21 O ATOM 1043 CB ILE A 81 -1.371 22.320 -11.844 1.00 2.43 C ATOM 1044 CG1 ILE A 81 -2.906 22.269 -11.677 1.00 71.12 C ATOM 1045 CG2 ILE A 81 -0.805 20.963 -12.300 1.00 44.32 C ATOM 1046 CD1 ILE A 81 -3.488 21.225 -10.740 1.00 53.12 C ATOM 0 H ILE A 81 -1.566 22.122 -8.993 1.00 53.01 H new ATOM 0 HA ILE A 81 0.472 22.967 -10.939 1.00 21.32 H new ATOM 0 HB ILE A 81 -1.223 23.059 -12.632 1.00 2.43 H new ATOM 0 HG12 ILE A 81 -3.237 23.249 -11.332 1.00 71.12 H new ATOM 0 HG13 ILE A 81 -3.344 22.114 -12.663 1.00 71.12 H new ATOM 0 HG21 ILE A 81 -1.385 20.592 -13.145 1.00 44.32 H new ATOM 0 HG22 ILE A 81 0.236 21.085 -12.600 1.00 44.32 H new ATOM 0 HG23 ILE A 81 -0.865 20.249 -11.478 1.00 44.32 H new ATOM 0 HD11 ILE A 81 -4.574 21.313 -10.727 1.00 53.12 H new ATOM 0 HD12 ILE A 81 -3.208 20.230 -11.085 1.00 53.12 H new ATOM 0 HD13 ILE A 81 -3.100 21.382 -9.734 1.00 53.12 H new ATOM 1057 N SER A 82 -0.811 24.671 -8.977 1.00 3.33 N ATOM 1058 CA SER A 82 -1.382 25.854 -8.351 1.00 40.35 C ATOM 1059 C SER A 82 -0.313 26.629 -7.583 1.00 35.53 C ATOM 1060 O SER A 82 0.824 26.173 -7.487 1.00 51.41 O ATOM 1061 CB SER A 82 -2.466 25.395 -7.380 1.00 52.23 C ATOM 1062 OG SER A 82 -3.586 24.872 -8.069 1.00 13.31 O ATOM 0 H SER A 82 -0.223 24.131 -8.341 1.00 3.33 H new ATOM 0 HA SER A 82 -1.795 26.510 -9.118 1.00 40.35 H new ATOM 0 HB2 SER A 82 -2.060 24.636 -6.712 1.00 52.23 H new ATOM 0 HB3 SER A 82 -2.778 26.234 -6.758 1.00 52.23 H new ATOM 0 HG SER A 82 -4.195 24.448 -7.429 1.00 13.31 H new ATOM 1067 N GLU A 83 -0.701 27.779 -7.026 1.00 54.23 N ATOM 1068 CA GLU A 83 0.095 28.696 -6.217 1.00 40.05 C ATOM 1069 C GLU A 83 0.946 28.067 -5.148 1.00 31.24 C ATOM 1070 O GLU A 83 0.669 26.978 -4.653 1.00 75.54 O ATOM 1071 CB GLU A 83 -0.780 29.744 -5.503 1.00 21.32 C ATOM 1072 CG GLU A 83 -2.158 29.223 -5.048 1.00 55.35 C ATOM 1073 CD GLU A 83 -2.943 30.165 -4.132 1.00 23.53 C ATOM 1074 OE1 GLU A 83 -2.611 31.368 -4.018 1.00 73.24 O ATOM 1075 OE2 GLU A 83 -3.945 29.695 -3.539 1.00 74.54 O ATOM 0 H GLU A 83 -1.657 28.117 -7.140 1.00 54.23 H new ATOM 0 HA GLU A 83 0.755 29.138 -6.964 1.00 40.05 H new ATOM 0 HB2 GLU A 83 -0.241 30.117 -4.632 1.00 21.32 H new ATOM 0 HB3 GLU A 83 -0.929 30.591 -6.172 1.00 21.32 H new ATOM 0 HG2 GLU A 83 -2.761 29.017 -5.933 1.00 55.35 H new ATOM 0 HG3 GLU A 83 -2.017 28.274 -4.531 1.00 55.35 H new ATOM 1080 N ALA A 84 1.930 28.862 -4.728 1.00 62.32 N ATOM 1081 CA ALA A 84 2.771 28.581 -3.600 1.00 14.24 C ATOM 1082 C ALA A 84 1.998 28.511 -2.280 1.00 32.24 C ATOM 1083 O ALA A 84 0.945 29.133 -2.130 1.00 2.32 O ATOM 1084 CB ALA A 84 3.893 29.620 -3.512 1.00 4.11 C ATOM 0 H ALA A 84 2.158 29.743 -5.188 1.00 62.32 H new ATOM 0 HA ALA A 84 3.199 27.591 -3.759 1.00 14.24 H new ATOM 0 HB1 ALA A 84 4.527 29.399 -2.653 1.00 4.11 H new ATOM 0 HB2 ALA A 84 4.491 29.587 -4.422 1.00 4.11 H new ATOM 0 HB3 ALA A 84 3.460 30.614 -3.398 1.00 4.11 H new ATOM 1090 N GLY A 85 2.567 27.818 -1.293 1.00 55.21 N ATOM 1091 CA GLY A 85 2.043 27.773 0.069 1.00 21.31 C ATOM 1092 C GLY A 85 0.873 26.798 0.250 1.00 51.25 C ATOM 1093 O GLY A 85 0.373 26.653 1.369 1.00 12.24 O ATOM 0 H GLY A 85 3.415 27.266 -1.420 1.00 55.21 H new ATOM 0 HA2 GLY A 85 2.847 27.491 0.749 1.00 21.31 H new ATOM 0 HA3 GLY A 85 1.718 28.773 0.357 1.00 21.31 H new ATOM 1097 N LYS A 86 0.429 26.103 -0.802 1.00 55.22 N ATOM 1098 CA LYS A 86 -0.580 25.053 -0.716 1.00 21.12 C ATOM 1099 C LYS A 86 0.106 23.834 -0.117 1.00 15.11 C ATOM 1100 O LYS A 86 1.028 23.276 -0.710 1.00 52.23 O ATOM 1101 CB LYS A 86 -1.162 24.720 -2.095 1.00 43.05 C ATOM 1102 CG LYS A 86 -1.765 25.914 -2.846 1.00 24.44 C ATOM 1103 CD LYS A 86 -3.038 26.493 -2.215 1.00 15.33 C ATOM 1104 CE LYS A 86 -4.158 26.515 -3.256 1.00 1.03 C ATOM 1105 NZ LYS A 86 -5.276 27.370 -2.824 1.00 12.02 N ATOM 0 H LYS A 86 0.769 26.260 -1.751 1.00 55.22 H new ATOM 0 HA LYS A 86 -1.416 25.380 -0.097 1.00 21.12 H new ATOM 0 HB2 LYS A 86 -0.375 24.282 -2.709 1.00 43.05 H new ATOM 0 HB3 LYS A 86 -1.933 23.959 -1.974 1.00 43.05 H new ATOM 0 HG2 LYS A 86 -1.015 26.703 -2.908 1.00 24.44 H new ATOM 0 HG3 LYS A 86 -1.990 25.607 -3.868 1.00 24.44 H new ATOM 0 HD2 LYS A 86 -3.337 25.892 -1.356 1.00 15.33 H new ATOM 0 HD3 LYS A 86 -2.848 27.502 -1.848 1.00 15.33 H new ATOM 0 HE2 LYS A 86 -3.766 26.878 -4.206 1.00 1.03 H new ATOM 0 HE3 LYS A 86 -4.518 25.501 -3.426 1.00 1.03 H new ATOM 0 HZ1 LYS A 86 -6.130 27.124 -3.364 1.00 12.02 H new ATOM 0 HZ2 LYS A 86 -5.454 27.223 -1.810 1.00 12.02 H new ATOM 0 HZ3 LYS A 86 -5.035 28.368 -2.992 1.00 12.02 H new ATOM 1115 N ARG A 87 -0.316 23.441 1.079 1.00 14.02 N ATOM 1116 CA ARG A 87 0.342 22.396 1.866 1.00 51.31 C ATOM 1117 C ARG A 87 -0.369 21.079 1.617 1.00 40.43 C ATOM 1118 O ARG A 87 -1.536 21.091 1.234 1.00 22.34 O ATOM 1119 CB ARG A 87 0.281 22.790 3.351 1.00 54.25 C ATOM 1120 CG ARG A 87 1.080 24.071 3.672 1.00 53.34 C ATOM 1121 CD ARG A 87 0.356 24.991 4.659 1.00 20.51 C ATOM 1122 NE ARG A 87 0.256 24.372 5.988 1.00 72.43 N ATOM 1123 CZ ARG A 87 -0.128 24.982 7.113 1.00 55.13 C ATOM 1124 NH1 ARG A 87 -0.576 26.232 7.112 1.00 24.32 N ATOM 1125 NH2 ARG A 87 -0.046 24.313 8.252 1.00 61.14 N ATOM 0 H ARG A 87 -1.134 23.842 1.538 1.00 14.02 H new ATOM 0 HA ARG A 87 1.387 22.285 1.578 1.00 51.31 H new ATOM 0 HB2 ARG A 87 -0.760 22.937 3.639 1.00 54.25 H new ATOM 0 HB3 ARG A 87 0.666 21.968 3.955 1.00 54.25 H new ATOM 0 HG2 ARG A 87 2.050 23.795 4.085 1.00 53.34 H new ATOM 0 HG3 ARG A 87 1.271 24.616 2.747 1.00 53.34 H new ATOM 0 HD2 ARG A 87 0.890 25.938 4.736 1.00 20.51 H new ATOM 0 HD3 ARG A 87 -0.642 25.217 4.284 1.00 20.51 H new ATOM 0 HE ARG A 87 0.503 23.385 6.058 1.00 72.43 H new ATOM 0 HH11 ARG A 87 -0.634 26.752 6.237 1.00 24.32 H new ATOM 0 HH12 ARG A 87 -0.862 26.672 7.987 1.00 24.32 H new ATOM 0 HH21 ARG A 87 0.304 23.355 8.257 1.00 61.14 H new ATOM 0 HH22 ARG A 87 -0.333 24.756 9.125 1.00 61.14 H new ATOM 1136 N LEU A 88 0.291 19.945 1.868 1.00 75.11 N ATOM 1137 CA LEU A 88 -0.279 18.620 1.640 1.00 54.42 C ATOM 1138 C LEU A 88 0.534 17.642 2.499 1.00 52.13 C ATOM 1139 O LEU A 88 1.688 17.361 2.187 1.00 55.35 O ATOM 1140 CB LEU A 88 -0.235 18.312 0.117 1.00 15.42 C ATOM 1141 CG LEU A 88 -1.451 17.640 -0.570 1.00 73.55 C ATOM 1142 CD1 LEU A 88 -1.290 16.132 -0.802 1.00 42.31 C ATOM 1143 CD2 LEU A 88 -2.826 17.996 0.018 1.00 61.11 C ATOM 0 H LEU A 88 1.242 19.923 2.237 1.00 75.11 H new ATOM 0 HA LEU A 88 -1.326 18.541 1.931 1.00 54.42 H new ATOM 0 HB2 LEU A 88 -0.050 19.254 -0.400 1.00 15.42 H new ATOM 0 HB3 LEU A 88 0.631 17.675 -0.061 1.00 15.42 H new ATOM 0 HG LEU A 88 -1.444 18.104 -1.556 1.00 73.55 H new ATOM 0 HD11 LEU A 88 -2.185 15.741 -1.287 1.00 42.31 H new ATOM 0 HD12 LEU A 88 -0.424 15.952 -1.439 1.00 42.31 H new ATOM 0 HD13 LEU A 88 -1.147 15.630 0.155 1.00 42.31 H new ATOM 0 HD21 LEU A 88 -3.605 17.472 -0.536 1.00 61.11 H new ATOM 0 HD22 LEU A 88 -2.862 17.697 1.066 1.00 61.11 H new ATOM 0 HD23 LEU A 88 -2.987 19.071 -0.058 1.00 61.11 H new ATOM 1154 N HIS A 89 0.004 17.194 3.640 1.00 60.31 N ATOM 1155 CA HIS A 89 0.640 16.195 4.507 1.00 43.13 C ATOM 1156 C HIS A 89 -0.076 14.859 4.342 1.00 31.44 C ATOM 1157 O HIS A 89 -1.282 14.782 4.607 1.00 75.32 O ATOM 1158 CB HIS A 89 0.625 16.660 5.966 1.00 33.32 C ATOM 1159 CG HIS A 89 1.388 15.745 6.903 1.00 64.52 C ATOM 1160 ND1 HIS A 89 2.583 16.047 7.521 1.00 55.13 N ATOM 1161 CD2 HIS A 89 1.032 14.476 7.296 1.00 64.54 C ATOM 1162 CE1 HIS A 89 2.937 14.988 8.266 1.00 61.23 C ATOM 1163 NE2 HIS A 89 2.015 14.014 8.176 1.00 2.20 N ATOM 0 H HIS A 89 -0.895 17.520 3.995 1.00 60.31 H new ATOM 0 HA HIS A 89 1.683 16.071 4.217 1.00 43.13 H new ATOM 0 HB2 HIS A 89 1.051 17.662 6.024 1.00 33.32 H new ATOM 0 HB3 HIS A 89 -0.408 16.733 6.305 1.00 33.32 H new ATOM 0 HD2 HIS A 89 0.152 13.934 6.982 1.00 64.54 H new ATOM 0 HE1 HIS A 89 3.839 14.927 8.857 1.00 61.23 H new ATOM 0 HE2 HIS A 89 2.030 13.114 8.656 1.00 2.20 H new ATOM 1170 N ILE A 90 0.620 13.820 3.882 1.00 73.43 N ATOM 1171 CA ILE A 90 0.044 12.503 3.616 1.00 60.24 C ATOM 1172 C ILE A 90 0.535 11.554 4.700 1.00 13.10 C ATOM 1173 O ILE A 90 1.738 11.466 4.943 1.00 44.34 O ATOM 1174 CB ILE A 90 0.454 11.978 2.218 1.00 21.10 C ATOM 1175 CG1 ILE A 90 -0.116 12.838 1.066 1.00 2.33 C ATOM 1176 CG2 ILE A 90 0.082 10.488 2.053 1.00 21.11 C ATOM 1177 CD1 ILE A 90 -1.504 12.458 0.533 1.00 51.32 C ATOM 0 H ILE A 90 1.619 13.871 3.680 1.00 73.43 H new ATOM 0 HA ILE A 90 -1.044 12.571 3.626 1.00 60.24 H new ATOM 0 HB ILE A 90 1.539 12.064 2.155 1.00 21.10 H new ATOM 0 HG12 ILE A 90 -0.155 13.874 1.404 1.00 2.33 H new ATOM 0 HG13 ILE A 90 0.588 12.800 0.235 1.00 2.33 H new ATOM 0 HG21 ILE A 90 0.381 10.146 1.062 1.00 21.11 H new ATOM 0 HG22 ILE A 90 0.597 9.898 2.811 1.00 21.11 H new ATOM 0 HG23 ILE A 90 -0.995 10.367 2.169 1.00 21.11 H new ATOM 0 HD11 ILE A 90 -1.784 13.139 -0.271 1.00 51.32 H new ATOM 0 HD12 ILE A 90 -1.480 11.437 0.152 1.00 51.32 H new ATOM 0 HD13 ILE A 90 -2.235 12.527 1.339 1.00 51.32 H new ATOM 1188 N THR A 91 -0.391 10.767 5.230 1.00 51.02 N ATOM 1189 CA THR A 91 -0.162 9.674 6.162 1.00 32.22 C ATOM 1190 C THR A 91 -0.532 8.392 5.401 1.00 40.55 C ATOM 1191 O THR A 91 -1.617 8.322 4.813 1.00 54.53 O ATOM 1192 CB THR A 91 -1.030 9.952 7.408 1.00 4.44 C ATOM 1193 OG1 THR A 91 -0.750 11.226 7.952 1.00 73.31 O ATOM 1194 CG2 THR A 91 -0.921 8.949 8.551 1.00 4.11 C ATOM 0 H THR A 91 -1.380 10.882 5.007 1.00 51.02 H new ATOM 0 HA THR A 91 0.865 9.570 6.514 1.00 32.22 H new ATOM 0 HB THR A 91 -2.042 9.875 7.010 1.00 4.44 H new ATOM 0 HG1 THR A 91 -1.315 11.377 8.739 1.00 73.31 H new ATOM 0 HG21 THR A 91 -1.577 9.254 9.366 1.00 4.11 H new ATOM 0 HG22 THR A 91 -1.216 7.961 8.198 1.00 4.11 H new ATOM 0 HG23 THR A 91 0.108 8.914 8.908 1.00 4.11 H new ATOM 1202 N VAL A 92 0.357 7.397 5.335 1.00 52.44 N ATOM 1203 CA VAL A 92 0.097 6.093 4.737 1.00 60.25 C ATOM 1204 C VAL A 92 0.521 5.045 5.755 1.00 34.10 C ATOM 1205 O VAL A 92 1.626 5.126 6.285 1.00 11.14 O ATOM 1206 CB VAL A 92 0.829 5.892 3.393 1.00 62.33 C ATOM 1207 CG1 VAL A 92 -0.007 6.409 2.221 1.00 74.15 C ATOM 1208 CG2 VAL A 92 2.246 6.471 3.281 1.00 71.32 C ATOM 0 H VAL A 92 1.303 7.483 5.708 1.00 52.44 H new ATOM 0 HA VAL A 92 -0.963 6.007 4.499 1.00 60.25 H new ATOM 0 HB VAL A 92 0.954 4.810 3.353 1.00 62.33 H new ATOM 0 HG11 VAL A 92 0.537 6.253 1.289 1.00 74.15 H new ATOM 0 HG12 VAL A 92 -0.954 5.870 2.184 1.00 74.15 H new ATOM 0 HG13 VAL A 92 -0.201 7.473 2.354 1.00 74.15 H new ATOM 0 HG21 VAL A 92 2.647 6.262 2.289 1.00 71.32 H new ATOM 0 HG22 VAL A 92 2.212 7.549 3.439 1.00 71.32 H new ATOM 0 HG23 VAL A 92 2.886 6.014 4.035 1.00 71.32 H new ATOM 1218 N ILE A 93 -0.378 4.107 6.064 1.00 52.22 N ATOM 1219 CA ILE A 93 -0.173 3.086 7.082 1.00 52.11 C ATOM 1220 C ILE A 93 -0.699 1.779 6.498 1.00 41.43 C ATOM 1221 O ILE A 93 -1.781 1.745 5.906 1.00 35.01 O ATOM 1222 CB ILE A 93 -0.871 3.474 8.403 1.00 15.43 C ATOM 1223 CG1 ILE A 93 -0.539 4.933 8.793 1.00 51.21 C ATOM 1224 CG2 ILE A 93 -0.443 2.496 9.513 1.00 40.44 C ATOM 1225 CD1 ILE A 93 -1.213 5.415 10.072 1.00 40.43 C ATOM 0 H ILE A 93 -1.285 4.039 5.602 1.00 52.22 H new ATOM 0 HA ILE A 93 0.881 2.979 7.336 1.00 52.11 H new ATOM 0 HB ILE A 93 -1.951 3.409 8.269 1.00 15.43 H new ATOM 0 HG12 ILE A 93 0.541 5.028 8.908 1.00 51.21 H new ATOM 0 HG13 ILE A 93 -0.831 5.590 7.974 1.00 51.21 H new ATOM 0 HG21 ILE A 93 -0.935 2.768 10.447 1.00 40.44 H new ATOM 0 HG22 ILE A 93 -0.729 1.482 9.234 1.00 40.44 H new ATOM 0 HG23 ILE A 93 0.638 2.545 9.644 1.00 40.44 H new ATOM 0 HD11 ILE A 93 -0.924 6.447 10.269 1.00 40.43 H new ATOM 0 HD12 ILE A 93 -2.295 5.357 9.957 1.00 40.43 H new ATOM 0 HD13 ILE A 93 -0.902 4.786 10.906 1.00 40.43 H new ATOM 1236 N GLY A 94 0.074 0.708 6.652 1.00 0.12 N ATOM 1237 CA GLY A 94 -0.143 -0.569 5.988 1.00 3.32 C ATOM 1238 C GLY A 94 -0.319 -1.665 7.023 1.00 52.22 C ATOM 1239 O GLY A 94 0.547 -1.833 7.885 1.00 21.24 O ATOM 0 H GLY A 94 0.892 0.707 7.261 1.00 0.12 H new ATOM 0 HA2 GLY A 94 -1.026 -0.513 5.351 1.00 3.32 H new ATOM 0 HA3 GLY A 94 0.703 -0.801 5.340 1.00 3.32 H new ATOM 1243 N TYR A 95 -1.442 -2.385 6.947 1.00 64.44 N ATOM 1244 CA TYR A 95 -1.925 -3.282 7.986 1.00 63.24 C ATOM 1245 C TYR A 95 -1.911 -4.741 7.540 1.00 3.14 C ATOM 1246 O TYR A 95 -2.210 -5.020 6.373 1.00 44.41 O ATOM 1247 CB TYR A 95 -3.343 -2.873 8.434 1.00 55.32 C ATOM 1248 CG TYR A 95 -3.372 -1.937 9.622 1.00 32.22 C ATOM 1249 CD1 TYR A 95 -3.218 -0.548 9.452 1.00 31.44 C ATOM 1250 CD2 TYR A 95 -3.508 -2.473 10.914 1.00 23.35 C ATOM 1251 CE1 TYR A 95 -3.173 0.294 10.580 1.00 43.23 C ATOM 1252 CE2 TYR A 95 -3.393 -1.654 12.044 1.00 13.22 C ATOM 1253 CZ TYR A 95 -3.246 -0.256 11.883 1.00 44.30 C ATOM 1254 OH TYR A 95 -3.178 0.563 12.967 1.00 14.52 O ATOM 0 H TYR A 95 -2.055 -2.354 6.132 1.00 64.44 H new ATOM 0 HA TYR A 95 -1.242 -3.194 8.831 1.00 63.24 H new ATOM 0 HB2 TYR A 95 -3.853 -2.396 7.597 1.00 55.32 H new ATOM 0 HB3 TYR A 95 -3.908 -3.772 8.680 1.00 55.32 H new ATOM 0 HD1 TYR A 95 -3.135 -0.130 8.460 1.00 31.44 H new ATOM 0 HD2 TYR A 95 -3.703 -3.528 11.037 1.00 23.35 H new ATOM 0 HE1 TYR A 95 -3.083 1.362 10.451 1.00 43.23 H new ATOM 0 HE2 TYR A 95 -3.416 -2.087 13.033 1.00 13.22 H new ATOM 0 HH TYR A 95 -3.244 0.028 13.786 1.00 14.52 H new ATOM 1263 N ILE A 96 -1.608 -5.682 8.450 1.00 44.11 N ATOM 1264 CA ILE A 96 -1.564 -7.101 8.142 1.00 0.35 C ATOM 1265 C ILE A 96 -2.291 -7.760 9.292 1.00 71.11 C ATOM 1266 O ILE A 96 -1.772 -7.756 10.401 1.00 0.35 O ATOM 1267 CB ILE A 96 -0.096 -7.557 7.999 1.00 74.34 C ATOM 1268 CG1 ILE A 96 0.484 -6.821 6.776 1.00 53.43 C ATOM 1269 CG2 ILE A 96 0.081 -9.084 7.879 1.00 3.35 C ATOM 1270 CD1 ILE A 96 1.870 -7.288 6.375 1.00 34.02 C ATOM 0 H ILE A 96 -1.387 -5.467 9.422 1.00 44.11 H new ATOM 0 HA ILE A 96 -2.037 -7.365 7.196 1.00 0.35 H new ATOM 0 HB ILE A 96 0.443 -7.302 8.912 1.00 74.34 H new ATOM 0 HG12 ILE A 96 -0.192 -6.954 5.931 1.00 53.43 H new ATOM 0 HG13 ILE A 96 0.520 -5.753 6.991 1.00 53.43 H new ATOM 0 HG21 ILE A 96 1.141 -9.321 7.782 1.00 3.35 H new ATOM 0 HG22 ILE A 96 -0.319 -9.568 8.770 1.00 3.35 H new ATOM 0 HG23 ILE A 96 -0.453 -9.444 7.000 1.00 3.35 H new ATOM 0 HD11 ILE A 96 2.208 -6.722 5.507 1.00 34.02 H new ATOM 0 HD12 ILE A 96 2.561 -7.129 7.203 1.00 34.02 H new ATOM 0 HD13 ILE A 96 1.839 -8.349 6.127 1.00 34.02 H new ATOM 1281 N ASP A 97 -3.500 -8.259 9.043 1.00 43.20 N ATOM 1282 CA ASP A 97 -4.280 -9.042 9.999 1.00 63.24 C ATOM 1283 C ASP A 97 -4.246 -8.412 11.393 1.00 40.54 C ATOM 1284 O ASP A 97 -3.656 -8.947 12.332 1.00 34.23 O ATOM 1285 CB ASP A 97 -3.849 -10.505 9.957 1.00 40.33 C ATOM 1286 CG ASP A 97 -4.645 -11.360 10.944 1.00 62.22 C ATOM 1287 OD1 ASP A 97 -5.882 -11.187 11.060 1.00 2.32 O ATOM 1288 OD2 ASP A 97 -4.038 -12.258 11.564 1.00 64.40 O ATOM 0 H ASP A 97 -3.975 -8.127 8.150 1.00 43.20 H new ATOM 0 HA ASP A 97 -5.331 -9.028 9.711 1.00 63.24 H new ATOM 0 HB2 ASP A 97 -3.983 -10.895 8.948 1.00 40.33 H new ATOM 0 HB3 ASP A 97 -2.786 -10.578 10.188 1.00 40.33 H new ATOM 1292 N ASP A 98 -4.866 -7.235 11.482 1.00 75.02 N ATOM 1293 CA ASP A 98 -5.062 -6.408 12.676 1.00 3.44 C ATOM 1294 C ASP A 98 -3.825 -5.648 13.182 1.00 33.23 C ATOM 1295 O ASP A 98 -3.939 -4.924 14.172 1.00 13.15 O ATOM 1296 CB ASP A 98 -5.709 -7.214 13.816 1.00 40.50 C ATOM 1297 CG ASP A 98 -6.443 -6.319 14.810 1.00 4.41 C ATOM 1298 OD1 ASP A 98 -7.314 -5.531 14.379 1.00 40.24 O ATOM 1299 OD2 ASP A 98 -6.171 -6.445 16.027 1.00 4.52 O ATOM 0 H ASP A 98 -5.277 -6.800 10.656 1.00 75.02 H new ATOM 0 HA ASP A 98 -5.744 -5.627 12.340 1.00 3.44 H new ATOM 0 HB2 ASP A 98 -6.408 -7.937 13.396 1.00 40.50 H new ATOM 0 HB3 ASP A 98 -4.940 -7.781 14.340 1.00 40.50 H new ATOM 1303 N LYS A 99 -2.657 -5.743 12.540 1.00 1.51 N ATOM 1304 CA LYS A 99 -1.476 -4.947 12.916 1.00 71.34 C ATOM 1305 C LYS A 99 -1.018 -4.018 11.840 1.00 11.55 C ATOM 1306 O LYS A 99 -1.315 -4.300 10.699 1.00 20.44 O ATOM 1307 CB LYS A 99 -0.310 -5.820 13.242 1.00 33.41 C ATOM 1308 CG LYS A 99 0.451 -6.564 12.164 1.00 4.52 C ATOM 1309 CD LYS A 99 1.856 -6.777 12.714 1.00 54.24 C ATOM 1310 CE LYS A 99 1.803 -7.526 14.044 1.00 24.24 C ATOM 1311 NZ LYS A 99 3.151 -7.807 14.570 1.00 24.33 N ATOM 0 H LYS A 99 -2.500 -6.368 11.750 1.00 1.51 H new ATOM 0 HA LYS A 99 -1.803 -4.372 13.782 1.00 71.34 H new ATOM 0 HB2 LYS A 99 0.414 -5.197 13.768 1.00 33.41 H new ATOM 0 HB3 LYS A 99 -0.663 -6.567 13.953 1.00 33.41 H new ATOM 0 HG2 LYS A 99 -0.027 -7.516 11.935 1.00 4.52 H new ATOM 0 HG3 LYS A 99 0.477 -5.990 11.238 1.00 4.52 H new ATOM 0 HD2 LYS A 99 2.452 -7.341 11.996 1.00 54.24 H new ATOM 0 HD3 LYS A 99 2.349 -5.814 12.852 1.00 54.24 H new ATOM 0 HE2 LYS A 99 1.245 -6.936 14.771 1.00 24.24 H new ATOM 0 HE3 LYS A 99 1.262 -8.463 13.912 1.00 24.24 H new ATOM 0 HZ1 LYS A 99 3.072 -8.316 15.473 1.00 24.33 H new ATOM 0 HZ2 LYS A 99 3.675 -8.391 13.888 1.00 24.33 H new ATOM 0 HZ3 LYS A 99 3.658 -6.912 14.721 1.00 24.33 H new ATOM 1321 N GLU A 100 -0.200 -3.024 12.142 1.00 43.53 N ATOM 1322 CA GLU A 100 0.510 -2.283 11.126 1.00 2.31 C ATOM 1323 C GLU A 100 1.927 -2.846 11.049 1.00 63.33 C ATOM 1324 O GLU A 100 2.446 -3.384 12.033 1.00 33.30 O ATOM 1325 CB GLU A 100 0.449 -0.781 11.409 1.00 11.24 C ATOM 1326 CG GLU A 100 1.635 -0.156 12.142 1.00 53.13 C ATOM 1327 CD GLU A 100 1.988 -0.754 13.505 1.00 41.13 C ATOM 1328 OE1 GLU A 100 1.204 -1.499 14.131 1.00 21.04 O ATOM 1329 OE2 GLU A 100 3.127 -0.489 13.951 1.00 52.21 O ATOM 0 H GLU A 100 -0.013 -2.713 13.095 1.00 43.53 H new ATOM 0 HA GLU A 100 0.046 -2.400 10.146 1.00 2.31 H new ATOM 0 HB2 GLU A 100 0.330 -0.263 10.457 1.00 11.24 H new ATOM 0 HB3 GLU A 100 -0.450 -0.584 11.993 1.00 11.24 H new ATOM 0 HG2 GLU A 100 2.512 -0.232 11.499 1.00 53.13 H new ATOM 0 HG3 GLU A 100 1.431 0.906 12.278 1.00 53.13 H new ATOM 1334 N VAL A 101 2.570 -2.718 9.893 1.00 23.21 N ATOM 1335 CA VAL A 101 3.950 -3.176 9.701 1.00 33.32 C ATOM 1336 C VAL A 101 4.786 -2.169 8.901 1.00 54.53 C ATOM 1337 O VAL A 101 5.913 -2.467 8.508 1.00 40.53 O ATOM 1338 CB VAL A 101 3.945 -4.570 9.043 1.00 34.33 C ATOM 1339 CG1 VAL A 101 3.213 -5.624 9.895 1.00 40.43 C ATOM 1340 CG2 VAL A 101 3.337 -4.525 7.634 1.00 13.41 C ATOM 0 H VAL A 101 2.155 -2.296 9.063 1.00 23.21 H new ATOM 0 HA VAL A 101 4.427 -3.253 10.678 1.00 33.32 H new ATOM 0 HB VAL A 101 4.990 -4.870 8.968 1.00 34.33 H new ATOM 0 HG11 VAL A 101 3.240 -6.587 9.385 1.00 40.43 H new ATOM 0 HG12 VAL A 101 3.704 -5.713 10.864 1.00 40.43 H new ATOM 0 HG13 VAL A 101 2.177 -5.319 10.040 1.00 40.43 H new ATOM 0 HG21 VAL A 101 3.350 -5.525 7.200 1.00 13.41 H new ATOM 0 HG22 VAL A 101 2.309 -4.168 7.693 1.00 13.41 H new ATOM 0 HG23 VAL A 101 3.920 -3.850 7.007 1.00 13.41 H new ATOM 1350 N ASN A 102 4.218 -1.009 8.558 1.00 13.42 N ATOM 1351 CA ASN A 102 4.796 -0.093 7.580 1.00 0.50 C ATOM 1352 C ASN A 102 4.088 1.242 7.730 1.00 61.12 C ATOM 1353 O ASN A 102 2.849 1.276 7.743 1.00 40.12 O ATOM 1354 CB ASN A 102 4.505 -0.651 6.181 1.00 73.04 C ATOM 1355 CG ASN A 102 5.142 0.087 5.006 1.00 0.20 C ATOM 1356 OD1 ASN A 102 5.153 1.314 4.926 1.00 20.40 O ATOM 1357 ND2 ASN A 102 5.586 -0.664 4.008 1.00 35.10 N ATOM 0 H ASN A 102 3.338 -0.680 8.956 1.00 13.42 H new ATOM 0 HA ASN A 102 5.870 0.022 7.726 1.00 0.50 H new ATOM 0 HB2 ASN A 102 4.837 -1.689 6.152 1.00 73.04 H new ATOM 0 HB3 ASN A 102 3.425 -0.658 6.034 1.00 73.04 H new ATOM 0 HD21 ASN A 102 5.943 -0.225 3.159 1.00 35.10 H new ATOM 0 HD22 ASN A 102 5.571 -1.681 4.089 1.00 35.10 H new ATOM 1363 N ARG A 103 4.830 2.342 7.782 1.00 41.44 N ATOM 1364 CA ARG A 103 4.264 3.688 7.804 1.00 74.04 C ATOM 1365 C ARG A 103 5.294 4.691 7.344 1.00 40.51 C ATOM 1366 O ARG A 103 6.410 4.695 7.868 1.00 40.41 O ATOM 1367 CB ARG A 103 3.759 3.999 9.220 1.00 15.53 C ATOM 1368 CG ARG A 103 3.373 5.472 9.379 1.00 52.55 C ATOM 1369 CD ARG A 103 2.533 5.682 10.632 1.00 35.23 C ATOM 1370 NE ARG A 103 3.308 5.564 11.877 1.00 12.43 N ATOM 1371 CZ ARG A 103 2.758 5.492 13.092 1.00 53.35 C ATOM 1372 NH1 ARG A 103 1.458 5.719 13.229 1.00 42.54 N ATOM 1373 NH2 ARG A 103 3.507 5.228 14.148 1.00 43.23 N ATOM 0 H ARG A 103 5.849 2.326 7.810 1.00 41.44 H new ATOM 0 HA ARG A 103 3.420 3.750 7.117 1.00 74.04 H new ATOM 0 HB2 ARG A 103 2.896 3.372 9.443 1.00 15.53 H new ATOM 0 HB3 ARG A 103 4.533 3.746 9.945 1.00 15.53 H new ATOM 0 HG2 ARG A 103 4.273 6.084 9.433 1.00 52.55 H new ATOM 0 HG3 ARG A 103 2.815 5.802 8.503 1.00 52.55 H new ATOM 0 HD2 ARG A 103 2.072 6.669 10.591 1.00 35.23 H new ATOM 0 HD3 ARG A 103 1.723 4.952 10.645 1.00 35.23 H new ATOM 0 HE ARG A 103 4.325 5.535 11.808 1.00 12.43 H new ATOM 0 HH11 ARG A 103 0.891 5.945 12.412 1.00 42.54 H new ATOM 0 HH12 ARG A 103 1.026 5.667 14.151 1.00 42.54 H new ATOM 0 HH21 ARG A 103 4.510 5.078 14.037 1.00 43.23 H new ATOM 0 HH22 ARG A 103 3.082 5.174 15.074 1.00 43.23 H new ATOM 1384 N LEU A 104 4.913 5.553 6.402 1.00 31.40 N ATOM 1385 CA LEU A 104 5.729 6.714 6.054 1.00 4.34 C ATOM 1386 C LEU A 104 4.854 7.945 5.825 1.00 31.42 C ATOM 1387 O LEU A 104 4.140 8.070 4.827 1.00 14.10 O ATOM 1388 CB LEU A 104 6.675 6.375 4.894 1.00 64.52 C ATOM 1389 CG LEU A 104 5.990 6.198 3.534 1.00 1.34 C ATOM 1390 CD1 LEU A 104 6.191 7.447 2.668 1.00 20.12 C ATOM 1391 CD2 LEU A 104 6.535 4.980 2.792 1.00 32.50 C ATOM 0 H LEU A 104 4.048 5.469 5.868 1.00 31.40 H new ATOM 0 HA LEU A 104 6.375 6.977 6.892 1.00 4.34 H new ATOM 0 HB2 LEU A 104 7.420 7.166 4.809 1.00 64.52 H new ATOM 0 HB3 LEU A 104 7.210 5.457 5.137 1.00 64.52 H new ATOM 0 HG LEU A 104 4.927 6.047 3.720 1.00 1.34 H new ATOM 0 HD11 LEU A 104 5.699 7.306 1.706 1.00 20.12 H new ATOM 0 HD12 LEU A 104 5.761 8.312 3.172 1.00 20.12 H new ATOM 0 HD13 LEU A 104 7.257 7.612 2.510 1.00 20.12 H new ATOM 0 HD21 LEU A 104 6.029 4.882 1.832 1.00 32.50 H new ATOM 0 HD22 LEU A 104 7.605 5.103 2.627 1.00 32.50 H new ATOM 0 HD23 LEU A 104 6.360 4.083 3.387 1.00 32.50 H new ATOM 1402 N GLU A 105 4.899 8.888 6.751 1.00 2.12 N ATOM 1403 CA GLU A 105 4.279 10.179 6.513 1.00 64.44 C ATOM 1404 C GLU A 105 5.185 10.949 5.567 1.00 20.21 C ATOM 1405 O GLU A 105 6.382 10.665 5.473 1.00 73.25 O ATOM 1406 CB GLU A 105 4.057 10.970 7.809 1.00 73.33 C ATOM 1407 CG GLU A 105 2.805 10.514 8.562 1.00 55.43 C ATOM 1408 CD GLU A 105 2.828 9.024 8.887 1.00 34.03 C ATOM 1409 OE1 GLU A 105 3.522 8.669 9.873 1.00 62.42 O ATOM 1410 OE2 GLU A 105 2.161 8.233 8.185 1.00 53.15 O ATOM 0 H GLU A 105 5.351 8.787 7.660 1.00 2.12 H new ATOM 0 HA GLU A 105 3.290 10.029 6.079 1.00 64.44 H new ATOM 0 HB2 GLU A 105 4.928 10.857 8.455 1.00 73.33 H new ATOM 0 HB3 GLU A 105 3.970 12.031 7.574 1.00 73.33 H new ATOM 0 HG2 GLU A 105 2.714 11.083 9.487 1.00 55.43 H new ATOM 0 HG3 GLU A 105 1.923 10.738 7.962 1.00 55.43 H new ATOM 1415 N LYS A 106 4.619 11.918 4.857 1.00 35.23 N ATOM 1416 CA LYS A 106 5.346 12.888 4.059 1.00 3.23 C ATOM 1417 C LYS A 106 4.621 14.211 4.196 1.00 74.51 C ATOM 1418 O LYS A 106 3.471 14.272 4.640 1.00 40.05 O ATOM 1419 CB LYS A 106 5.362 12.497 2.585 1.00 74.55 C ATOM 1420 CG LYS A 106 6.169 11.220 2.309 1.00 52.05 C ATOM 1421 CD LYS A 106 5.842 10.587 0.957 1.00 43.14 C ATOM 1422 CE LYS A 106 4.337 10.387 0.798 1.00 33.54 C ATOM 1423 NZ LYS A 106 3.695 9.637 1.903 1.00 61.55 N ATOM 0 H LYS A 106 3.608 12.051 4.822 1.00 35.23 H new ATOM 0 HA LYS A 106 6.378 12.943 4.406 1.00 3.23 H new ATOM 0 HB2 LYS A 106 4.337 12.353 2.242 1.00 74.55 H new ATOM 0 HB3 LYS A 106 5.781 13.317 2.002 1.00 74.55 H new ATOM 0 HG2 LYS A 106 7.233 11.454 2.346 1.00 52.05 H new ATOM 0 HG3 LYS A 106 5.974 10.496 3.100 1.00 52.05 H new ATOM 0 HD2 LYS A 106 6.215 11.222 0.154 1.00 43.14 H new ATOM 0 HD3 LYS A 106 6.352 9.628 0.867 1.00 43.14 H new ATOM 0 HE2 LYS A 106 3.861 11.364 0.714 1.00 33.54 H new ATOM 0 HE3 LYS A 106 4.150 9.860 -0.138 1.00 33.54 H new ATOM 0 HZ1 LYS A 106 2.661 9.677 1.795 1.00 61.55 H new ATOM 0 HZ2 LYS A 106 4.007 8.645 1.877 1.00 61.55 H new ATOM 0 HZ3 LYS A 106 3.965 10.061 2.813 1.00 61.55 H new ATOM 1433 N GLU A 107 5.255 15.254 3.699 1.00 63.31 N ATOM 1434 CA GLU A 107 4.727 16.596 3.667 1.00 71.33 C ATOM 1435 C GLU A 107 5.247 17.222 2.387 1.00 2.43 C ATOM 1436 O GLU A 107 6.375 16.936 1.978 1.00 42.32 O ATOM 1437 CB GLU A 107 5.214 17.338 4.915 1.00 3.21 C ATOM 1438 CG GLU A 107 4.597 18.733 5.051 1.00 60.53 C ATOM 1439 CD GLU A 107 4.819 19.378 6.424 1.00 24.44 C ATOM 1440 OE1 GLU A 107 5.637 18.909 7.250 1.00 35.23 O ATOM 1441 OE2 GLU A 107 4.101 20.372 6.702 1.00 34.31 O ATOM 0 H GLU A 107 6.187 15.183 3.292 1.00 63.31 H new ATOM 0 HA GLU A 107 3.638 16.631 3.674 1.00 71.33 H new ATOM 0 HB2 GLU A 107 4.971 16.750 5.800 1.00 3.21 H new ATOM 0 HB3 GLU A 107 6.300 17.427 4.879 1.00 3.21 H new ATOM 0 HG2 GLU A 107 5.017 19.382 4.283 1.00 60.53 H new ATOM 0 HG3 GLU A 107 3.526 18.666 4.861 1.00 60.53 H new ATOM 1446 N TYR A 108 4.440 18.070 1.773 1.00 2.21 N ATOM 1447 CA TYR A 108 4.787 18.813 0.584 1.00 71.32 C ATOM 1448 C TYR A 108 4.209 20.222 0.736 1.00 40.44 C ATOM 1449 O TYR A 108 3.204 20.393 1.447 1.00 35.13 O ATOM 1450 CB TYR A 108 4.160 18.115 -0.631 1.00 35.23 C ATOM 1451 CG TYR A 108 4.292 16.603 -0.751 1.00 41.23 C ATOM 1452 CD1 TYR A 108 5.453 16.034 -1.298 1.00 60.23 C ATOM 1453 CD2 TYR A 108 3.220 15.766 -0.385 1.00 14.12 C ATOM 1454 CE1 TYR A 108 5.539 14.643 -1.498 1.00 22.34 C ATOM 1455 CE2 TYR A 108 3.292 14.378 -0.594 1.00 23.21 C ATOM 1456 CZ TYR A 108 4.445 13.812 -1.179 1.00 52.34 C ATOM 1457 OH TYR A 108 4.488 12.478 -1.457 1.00 42.15 O ATOM 0 H TYR A 108 3.495 18.263 2.103 1.00 2.21 H new ATOM 0 HA TYR A 108 5.867 18.864 0.446 1.00 71.32 H new ATOM 0 HB2 TYR A 108 3.097 18.356 -0.639 1.00 35.23 H new ATOM 0 HB3 TYR A 108 4.594 18.557 -1.528 1.00 35.23 H new ATOM 0 HD1 TYR A 108 6.285 16.667 -1.567 1.00 60.23 H new ATOM 0 HD2 TYR A 108 2.334 16.195 0.060 1.00 14.12 H new ATOM 0 HE1 TYR A 108 6.445 14.211 -1.897 1.00 22.34 H new ATOM 0 HE2 TYR A 108 2.465 13.745 -0.307 1.00 23.21 H new ATOM 0 HH TYR A 108 5.412 12.214 -1.650 1.00 42.15 H new ATOM 1466 N ILE A 109 4.826 21.209 0.076 1.00 41.01 N ATOM 1467 CA ILE A 109 4.277 22.548 -0.123 1.00 1.40 C ATOM 1468 C ILE A 109 4.719 23.021 -1.519 1.00 14.31 C ATOM 1469 O ILE A 109 5.868 22.797 -1.913 1.00 0.30 O ATOM 1470 CB ILE A 109 4.726 23.532 0.993 1.00 52.41 C ATOM 1471 CG1 ILE A 109 4.539 22.958 2.418 1.00 52.43 C ATOM 1472 CG2 ILE A 109 3.938 24.850 0.872 1.00 74.35 C ATOM 1473 CD1 ILE A 109 4.951 23.903 3.545 1.00 12.12 C ATOM 0 H ILE A 109 5.747 21.091 -0.345 1.00 41.01 H new ATOM 0 HA ILE A 109 3.189 22.521 -0.063 1.00 1.40 H new ATOM 0 HB ILE A 109 5.793 23.704 0.849 1.00 52.41 H new ATOM 0 HG12 ILE A 109 3.491 22.689 2.552 1.00 52.43 H new ATOM 0 HG13 ILE A 109 5.118 22.038 2.503 1.00 52.43 H new ATOM 0 HG21 ILE A 109 4.256 25.537 1.656 1.00 74.35 H new ATOM 0 HG22 ILE A 109 4.128 25.299 -0.103 1.00 74.35 H new ATOM 0 HG23 ILE A 109 2.872 24.648 0.977 1.00 74.35 H new ATOM 0 HD11 ILE A 109 4.785 23.417 4.506 1.00 12.12 H new ATOM 0 HD12 ILE A 109 6.007 24.153 3.442 1.00 12.12 H new ATOM 0 HD13 ILE A 109 4.355 24.814 3.492 1.00 12.12 H new ATOM 1484 N THR A 110 3.836 23.693 -2.255 1.00 71.45 N ATOM 1485 CA THR A 110 4.147 24.403 -3.495 1.00 3.43 C ATOM 1486 C THR A 110 5.074 25.598 -3.232 1.00 4.11 C ATOM 1487 O THR A 110 4.902 26.306 -2.234 1.00 64.32 O ATOM 1488 CB THR A 110 2.829 24.895 -4.115 1.00 72.15 C ATOM 1489 OG1 THR A 110 1.932 25.339 -3.126 1.00 34.30 O ATOM 1490 CG2 THR A 110 2.079 23.837 -4.927 1.00 42.41 C ATOM 0 H THR A 110 2.852 23.761 -1.996 1.00 71.45 H new ATOM 0 HA THR A 110 4.662 23.725 -4.176 1.00 3.43 H new ATOM 0 HB THR A 110 3.142 25.700 -4.780 1.00 72.15 H new ATOM 0 HG1 THR A 110 1.492 26.161 -3.428 1.00 34.30 H new ATOM 0 HG21 THR A 110 1.162 24.269 -5.328 1.00 42.41 H new ATOM 0 HG22 THR A 110 2.708 23.495 -5.749 1.00 42.41 H new ATOM 0 HG23 THR A 110 1.832 22.992 -4.284 1.00 42.41 H new ATOM 1498 N ASP A 111 5.978 25.908 -4.169 1.00 11.32 N ATOM 1499 CA ASP A 111 6.664 27.201 -4.218 1.00 34.30 C ATOM 1500 C ASP A 111 6.733 27.735 -5.651 1.00 13.43 C ATOM 1501 O ASP A 111 7.797 27.872 -6.260 1.00 2.10 O ATOM 1502 CB ASP A 111 8.031 27.207 -3.512 1.00 43.11 C ATOM 1503 CG ASP A 111 8.542 28.648 -3.350 1.00 11.01 C ATOM 1504 OD1 ASP A 111 7.722 29.588 -3.225 1.00 61.32 O ATOM 1505 OD2 ASP A 111 9.771 28.887 -3.263 1.00 2.12 O ATOM 0 H ASP A 111 6.253 25.268 -4.914 1.00 11.32 H new ATOM 0 HA ASP A 111 6.056 27.894 -3.638 1.00 34.30 H new ATOM 0 HB2 ASP A 111 7.945 26.732 -2.535 1.00 43.11 H new ATOM 0 HB3 ASP A 111 8.748 26.622 -4.088 1.00 43.11 H new ATOM 1509 N GLY A 112 5.559 28.009 -6.218 1.00 53.21 N ATOM 1510 CA GLY A 112 5.337 28.738 -7.470 1.00 3.44 C ATOM 1511 C GLY A 112 5.383 27.829 -8.695 1.00 40.24 C ATOM 1512 O GLY A 112 4.656 28.052 -9.667 1.00 42.11 O ATOM 0 H GLY A 112 4.682 27.710 -5.791 1.00 53.21 H new ATOM 0 HA2 GLY A 112 4.369 29.237 -7.429 1.00 3.44 H new ATOM 0 HA3 GLY A 112 6.093 29.517 -7.572 1.00 3.44 H new ATOM 1516 N ASN A 113 6.204 26.784 -8.622 1.00 62.32 N ATOM 1517 CA ASN A 113 6.418 25.775 -9.651 1.00 42.12 C ATOM 1518 C ASN A 113 5.246 24.792 -9.674 1.00 14.22 C ATOM 1519 O ASN A 113 4.421 24.783 -8.754 1.00 72.23 O ATOM 1520 CB ASN A 113 7.727 25.025 -9.334 1.00 60.13 C ATOM 1521 CG ASN A 113 8.946 25.899 -9.566 1.00 40.12 C ATOM 1522 OD1 ASN A 113 9.554 25.845 -10.636 1.00 13.14 O ATOM 1523 ND2 ASN A 113 9.331 26.734 -8.614 1.00 74.42 N ATOM 0 H ASN A 113 6.771 26.611 -7.792 1.00 62.32 H new ATOM 0 HA ASN A 113 6.488 26.251 -10.629 1.00 42.12 H new ATOM 0 HB2 ASN A 113 7.712 24.689 -8.297 1.00 60.13 H new ATOM 0 HB3 ASN A 113 7.795 24.133 -9.957 1.00 60.13 H new ATOM 0 HD21 ASN A 113 10.138 27.340 -8.763 1.00 74.42 H new ATOM 0 HD22 ASN A 113 8.821 26.771 -7.731 1.00 74.42 H new ATOM 1529 N THR A 114 5.234 23.875 -10.638 1.00 60.45 N ATOM 1530 CA THR A 114 4.457 22.642 -10.534 1.00 1.23 C ATOM 1531 C THR A 114 4.869 21.884 -9.258 1.00 44.13 C ATOM 1532 O THR A 114 5.895 22.188 -8.642 1.00 15.00 O ATOM 1533 CB THR A 114 4.702 21.753 -11.772 1.00 5.12 C ATOM 1534 OG1 THR A 114 5.397 22.418 -12.818 1.00 1.14 O ATOM 1535 CG2 THR A 114 3.399 21.186 -12.337 1.00 22.51 C ATOM 0 H THR A 114 5.759 23.964 -11.508 1.00 60.45 H new ATOM 0 HA THR A 114 3.397 22.890 -10.484 1.00 1.23 H new ATOM 0 HB THR A 114 5.331 20.942 -11.406 1.00 5.12 H new ATOM 0 HG1 THR A 114 5.522 21.803 -13.570 1.00 1.14 H new ATOM 0 HG21 THR A 114 3.619 20.567 -13.207 1.00 22.51 H new ATOM 0 HG22 THR A 114 2.905 20.581 -11.576 1.00 22.51 H new ATOM 0 HG23 THR A 114 2.743 22.005 -12.631 1.00 22.51 H new ATOM 1543 N LEU A 115 4.109 20.857 -8.877 1.00 55.32 N ATOM 1544 CA LEU A 115 4.511 19.906 -7.853 1.00 1.31 C ATOM 1545 C LEU A 115 4.248 18.517 -8.381 1.00 35.53 C ATOM 1546 O LEU A 115 3.162 18.301 -8.915 1.00 54.15 O ATOM 1547 CB LEU A 115 3.718 20.152 -6.567 1.00 73.51 C ATOM 1548 CG LEU A 115 4.322 19.372 -5.385 1.00 3.23 C ATOM 1549 CD1 LEU A 115 4.319 20.262 -4.149 1.00 14.13 C ATOM 1550 CD2 LEU A 115 3.562 18.069 -5.095 1.00 75.11 C ATOM 0 H LEU A 115 3.191 20.664 -9.277 1.00 55.32 H new ATOM 0 HA LEU A 115 5.569 20.022 -7.619 1.00 1.31 H new ATOM 0 HB2 LEU A 115 3.712 21.218 -6.338 1.00 73.51 H new ATOM 0 HB3 LEU A 115 2.680 19.851 -6.713 1.00 73.51 H new ATOM 0 HG LEU A 115 5.342 19.094 -5.652 1.00 3.23 H new ATOM 0 HD11 LEU A 115 4.745 19.717 -3.307 1.00 14.13 H new ATOM 0 HD12 LEU A 115 4.914 21.155 -4.342 1.00 14.13 H new ATOM 0 HD13 LEU A 115 3.295 20.552 -3.912 1.00 14.13 H new ATOM 0 HD21 LEU A 115 4.027 17.556 -4.253 1.00 75.11 H new ATOM 0 HD22 LEU A 115 2.525 18.299 -4.852 1.00 75.11 H new ATOM 0 HD23 LEU A 115 3.594 17.426 -5.974 1.00 75.11 H new ATOM 1561 N ILE A 116 5.209 17.604 -8.226 1.00 22.41 N ATOM 1562 CA ILE A 116 5.070 16.183 -8.547 1.00 3.43 C ATOM 1563 C ILE A 116 5.998 15.420 -7.615 1.00 75.34 C ATOM 1564 O ILE A 116 7.168 15.773 -7.461 1.00 40.34 O ATOM 1565 CB ILE A 116 5.406 15.835 -10.016 1.00 22.52 C ATOM 1566 CG1 ILE A 116 4.513 16.646 -10.961 1.00 60.32 C ATOM 1567 CG2 ILE A 116 5.211 14.325 -10.279 1.00 71.15 C ATOM 1568 CD1 ILE A 116 4.730 16.370 -12.439 1.00 71.33 C ATOM 0 H ILE A 116 6.132 17.840 -7.863 1.00 22.41 H new ATOM 0 HA ILE A 116 4.024 15.906 -8.414 1.00 3.43 H new ATOM 0 HB ILE A 116 6.451 16.087 -10.200 1.00 22.52 H new ATOM 0 HG12 ILE A 116 3.470 16.441 -10.717 1.00 60.32 H new ATOM 0 HG13 ILE A 116 4.681 17.707 -10.776 1.00 60.32 H new ATOM 0 HG21 ILE A 116 5.453 14.102 -11.318 1.00 71.15 H new ATOM 0 HG22 ILE A 116 5.868 13.754 -9.623 1.00 71.15 H new ATOM 0 HG23 ILE A 116 4.174 14.052 -10.081 1.00 71.15 H new ATOM 0 HD11 ILE A 116 4.054 16.990 -13.028 1.00 71.33 H new ATOM 0 HD12 ILE A 116 5.761 16.603 -12.705 1.00 71.33 H new ATOM 0 HD13 ILE A 116 4.531 15.318 -12.646 1.00 71.33 H new ATOM 1579 N GLU A 117 5.479 14.361 -7.023 1.00 41.05 N ATOM 1580 CA GLU A 117 6.177 13.456 -6.120 1.00 54.43 C ATOM 1581 C GLU A 117 5.538 12.061 -6.182 1.00 12.11 C ATOM 1582 O GLU A 117 4.471 11.891 -6.774 1.00 64.55 O ATOM 1583 CB GLU A 117 6.173 14.073 -4.712 1.00 54.02 C ATOM 1584 CG GLU A 117 7.594 14.528 -4.340 1.00 72.21 C ATOM 1585 CD GLU A 117 8.460 13.312 -4.013 1.00 21.43 C ATOM 1586 OE1 GLU A 117 8.304 12.762 -2.904 1.00 41.11 O ATOM 1587 OE2 GLU A 117 9.219 12.877 -4.911 1.00 62.54 O ATOM 0 H GLU A 117 4.506 14.091 -7.165 1.00 41.05 H new ATOM 0 HA GLU A 117 7.218 13.324 -6.416 1.00 54.43 H new ATOM 0 HB2 GLU A 117 5.489 14.921 -4.678 1.00 54.02 H new ATOM 0 HB3 GLU A 117 5.813 13.344 -3.986 1.00 54.02 H new ATOM 0 HG2 GLU A 117 8.034 15.087 -5.166 1.00 72.21 H new ATOM 0 HG3 GLU A 117 7.557 15.200 -3.483 1.00 72.21 H new ATOM 1592 N THR A 118 6.174 11.048 -5.589 1.00 55.33 N ATOM 1593 CA THR A 118 5.684 9.668 -5.589 1.00 14.11 C ATOM 1594 C THR A 118 5.805 9.087 -4.192 1.00 35.34 C ATOM 1595 O THR A 118 6.397 9.689 -3.296 1.00 34.22 O ATOM 1596 CB THR A 118 6.380 8.820 -6.669 1.00 75.15 C ATOM 1597 OG1 THR A 118 7.762 8.650 -6.424 1.00 22.44 O ATOM 1598 CG2 THR A 118 6.219 9.381 -8.083 1.00 53.34 C ATOM 0 H THR A 118 7.055 11.165 -5.089 1.00 55.33 H new ATOM 0 HA THR A 118 4.627 9.657 -5.856 1.00 14.11 H new ATOM 0 HB THR A 118 5.873 7.857 -6.609 1.00 75.15 H new ATOM 0 HG1 THR A 118 8.156 8.104 -7.136 1.00 22.44 H new ATOM 0 HG21 THR A 118 6.734 8.733 -8.792 1.00 53.34 H new ATOM 0 HG22 THR A 118 5.160 9.428 -8.337 1.00 53.34 H new ATOM 0 HG23 THR A 118 6.648 10.382 -8.128 1.00 53.34 H new ATOM 1606 N PHE A 119 5.169 7.939 -3.996 1.00 13.42 N ATOM 1607 CA PHE A 119 5.298 7.152 -2.782 1.00 15.10 C ATOM 1608 C PHE A 119 4.965 5.699 -3.072 1.00 61.53 C ATOM 1609 O PHE A 119 4.408 5.382 -4.129 1.00 20.32 O ATOM 1610 CB PHE A 119 4.401 7.725 -1.684 1.00 31.34 C ATOM 1611 CG PHE A 119 2.922 7.801 -2.015 1.00 33.43 C ATOM 1612 CD1 PHE A 119 2.434 8.811 -2.871 1.00 53.45 C ATOM 1613 CD2 PHE A 119 2.023 6.894 -1.423 1.00 20.52 C ATOM 1614 CE1 PHE A 119 1.053 8.946 -3.085 1.00 40.43 C ATOM 1615 CE2 PHE A 119 0.642 7.035 -1.644 1.00 40.44 C ATOM 1616 CZ PHE A 119 0.162 8.070 -2.459 1.00 35.40 C ATOM 0 H PHE A 119 4.542 7.525 -4.686 1.00 13.42 H new ATOM 0 HA PHE A 119 6.327 7.198 -2.427 1.00 15.10 H new ATOM 0 HB2 PHE A 119 4.523 7.118 -0.787 1.00 31.34 H new ATOM 0 HB3 PHE A 119 4.752 8.728 -1.440 1.00 31.34 H new ATOM 0 HD1 PHE A 119 3.124 9.481 -3.362 1.00 53.45 H new ATOM 0 HD2 PHE A 119 2.393 6.092 -0.801 1.00 20.52 H new ATOM 0 HE1 PHE A 119 0.680 9.726 -3.732 1.00 40.43 H new ATOM 0 HE2 PHE A 119 -0.051 6.345 -1.185 1.00 40.44 H new ATOM 0 HZ PHE A 119 -0.901 8.191 -2.604 1.00 35.40 H new ATOM 1625 N SER A 120 5.262 4.814 -2.119 1.00 62.12 N ATOM 1626 CA SER A 120 4.985 3.399 -2.249 1.00 53.44 C ATOM 1627 C SER A 120 4.999 2.766 -0.874 1.00 13.24 C ATOM 1628 O SER A 120 5.857 3.049 -0.036 1.00 42.13 O ATOM 1629 CB SER A 120 6.016 2.758 -3.192 1.00 15.40 C ATOM 1630 OG SER A 120 5.870 1.350 -3.229 1.00 0.24 O ATOM 0 H SER A 120 5.703 5.069 -1.235 1.00 62.12 H new ATOM 0 HA SER A 120 3.999 3.238 -2.684 1.00 53.44 H new ATOM 0 HB2 SER A 120 5.897 3.165 -4.196 1.00 15.40 H new ATOM 0 HB3 SER A 120 7.023 3.013 -2.862 1.00 15.40 H new ATOM 0 HG SER A 120 6.537 0.968 -3.837 1.00 0.24 H new ATOM 1635 N VAL A 121 4.041 1.872 -0.667 1.00 43.02 N ATOM 1636 CA VAL A 121 3.794 1.161 0.563 1.00 22.24 C ATOM 1637 C VAL A 121 3.304 -0.214 0.122 1.00 62.01 C ATOM 1638 O VAL A 121 2.150 -0.357 -0.287 1.00 35.13 O ATOM 1639 CB VAL A 121 2.786 1.980 1.398 1.00 23.01 C ATOM 1640 CG1 VAL A 121 2.190 1.211 2.568 1.00 1.10 C ATOM 1641 CG2 VAL A 121 3.461 3.220 2.007 1.00 63.15 C ATOM 0 H VAL A 121 3.382 1.615 -1.401 1.00 43.02 H new ATOM 0 HA VAL A 121 4.660 1.030 1.212 1.00 22.24 H new ATOM 0 HB VAL A 121 1.996 2.239 0.693 1.00 23.01 H new ATOM 0 HG11 VAL A 121 1.492 1.852 3.107 1.00 1.10 H new ATOM 0 HG12 VAL A 121 1.663 0.333 2.195 1.00 1.10 H new ATOM 0 HG13 VAL A 121 2.988 0.897 3.241 1.00 1.10 H new ATOM 0 HG21 VAL A 121 2.732 3.781 2.591 1.00 63.15 H new ATOM 0 HG22 VAL A 121 4.280 2.907 2.654 1.00 63.15 H new ATOM 0 HG23 VAL A 121 3.850 3.852 1.208 1.00 63.15 H new ATOM 1651 N SER A 122 4.191 -1.207 0.153 1.00 23.31 N ATOM 1652 CA SER A 122 3.835 -2.613 0.001 1.00 40.54 C ATOM 1653 C SER A 122 3.652 -3.174 1.414 1.00 64.12 C ATOM 1654 O SER A 122 4.437 -2.828 2.299 1.00 4.13 O ATOM 1655 CB SER A 122 4.954 -3.393 -0.729 1.00 44.50 C ATOM 1656 OG SER A 122 5.742 -2.610 -1.616 1.00 64.40 O ATOM 0 H SER A 122 5.191 -1.053 0.286 1.00 23.31 H new ATOM 0 HA SER A 122 2.927 -2.713 -0.594 1.00 40.54 H new ATOM 0 HB2 SER A 122 5.610 -3.844 0.016 1.00 44.50 H new ATOM 0 HB3 SER A 122 4.502 -4.210 -1.291 1.00 44.50 H new ATOM 0 HG SER A 122 6.667 -2.583 -1.295 1.00 64.40 H new ATOM 1661 N THR A 123 2.663 -4.033 1.670 1.00 44.54 N ATOM 1662 CA THR A 123 2.567 -4.761 2.942 1.00 24.15 C ATOM 1663 C THR A 123 3.214 -6.154 2.831 1.00 13.41 C ATOM 1664 O THR A 123 2.795 -7.089 3.509 1.00 32.04 O ATOM 1665 CB THR A 123 1.107 -4.858 3.448 1.00 41.12 C ATOM 1666 OG1 THR A 123 0.201 -5.089 2.387 1.00 3.12 O ATOM 1667 CG2 THR A 123 0.652 -3.645 4.247 1.00 32.24 C ATOM 0 H THR A 123 1.913 -4.244 1.012 1.00 44.54 H new ATOM 0 HA THR A 123 3.123 -4.188 3.684 1.00 24.15 H new ATOM 0 HB THR A 123 1.103 -5.712 4.125 1.00 41.12 H new ATOM 0 HG1 THR A 123 -0.196 -5.980 2.484 1.00 3.12 H new ATOM 0 HG21 THR A 123 -0.380 -3.787 4.567 1.00 32.24 H new ATOM 0 HG22 THR A 123 1.290 -3.526 5.122 1.00 32.24 H new ATOM 0 HG23 THR A 123 0.720 -2.753 3.624 1.00 32.24 H new ATOM 1675 N LYS A 124 4.203 -6.353 1.956 1.00 72.22 N ATOM 1676 CA LYS A 124 5.100 -7.491 2.077 1.00 34.25 C ATOM 1677 C LYS A 124 6.343 -7.212 1.262 1.00 32.12 C ATOM 1678 O LYS A 124 6.222 -7.066 0.046 1.00 52.51 O ATOM 1679 CB LYS A 124 4.446 -8.794 1.587 1.00 12.22 C ATOM 1680 CG LYS A 124 4.987 -10.014 2.324 1.00 20.14 C ATOM 1681 CD LYS A 124 4.328 -10.153 3.697 1.00 43.30 C ATOM 1682 CE LYS A 124 4.952 -11.311 4.473 1.00 14.51 C ATOM 1683 NZ LYS A 124 4.530 -12.614 3.939 1.00 12.34 N ATOM 0 H LYS A 124 4.397 -5.742 1.163 1.00 72.22 H new ATOM 0 HA LYS A 124 5.347 -7.625 3.130 1.00 34.25 H new ATOM 0 HB2 LYS A 124 3.367 -8.734 1.728 1.00 12.22 H new ATOM 0 HB3 LYS A 124 4.622 -8.909 0.517 1.00 12.22 H new ATOM 0 HG2 LYS A 124 4.803 -10.912 1.734 1.00 20.14 H new ATOM 0 HG3 LYS A 124 6.067 -9.925 2.441 1.00 20.14 H new ATOM 0 HD2 LYS A 124 4.444 -9.226 4.259 1.00 43.30 H new ATOM 0 HD3 LYS A 124 3.258 -10.322 3.578 1.00 43.30 H new ATOM 0 HE2 LYS A 124 6.038 -11.235 4.429 1.00 14.51 H new ATOM 0 HE3 LYS A 124 4.669 -11.239 5.523 1.00 14.51 H new ATOM 0 HZ1 LYS A 124 4.436 -13.295 4.719 1.00 12.34 H new ATOM 0 HZ2 LYS A 124 3.614 -12.511 3.457 1.00 12.34 H new ATOM 0 HZ3 LYS A 124 5.241 -12.959 3.263 1.00 12.34 H new ATOM 1693 N GLU A 125 7.503 -7.166 1.893 1.00 1.41 N ATOM 1694 CA GLU A 125 8.791 -7.096 1.222 1.00 62.44 C ATOM 1695 C GLU A 125 9.799 -7.835 2.095 1.00 4.33 C ATOM 1696 O GLU A 125 10.104 -7.376 3.199 1.00 32.01 O ATOM 1697 CB GLU A 125 9.227 -5.636 0.965 1.00 4.45 C ATOM 1698 CG GLU A 125 8.758 -5.136 -0.408 1.00 61.10 C ATOM 1699 CD GLU A 125 9.195 -3.704 -0.708 1.00 61.34 C ATOM 1700 OE1 GLU A 125 10.405 -3.465 -0.929 1.00 43.03 O ATOM 1701 OE2 GLU A 125 8.302 -2.821 -0.804 1.00 20.23 O ATOM 0 H GLU A 125 7.578 -7.176 2.910 1.00 1.41 H new ATOM 0 HA GLU A 125 8.726 -7.563 0.239 1.00 62.44 H new ATOM 0 HB2 GLU A 125 8.820 -4.992 1.745 1.00 4.45 H new ATOM 0 HB3 GLU A 125 10.313 -5.564 1.027 1.00 4.45 H new ATOM 0 HG2 GLU A 125 9.148 -5.798 -1.181 1.00 61.10 H new ATOM 0 HG3 GLU A 125 7.671 -5.195 -0.457 1.00 61.10 H new ATOM 1706 N ILE A 126 10.335 -8.939 1.567 1.00 61.32 N ATOM 1707 CA ILE A 126 11.488 -9.677 2.073 1.00 1.22 C ATOM 1708 C ILE A 126 11.237 -10.109 3.520 1.00 61.20 C ATOM 1709 O ILE A 126 10.188 -10.767 3.735 1.00 12.34 O ATOM 1710 CB ILE A 126 12.798 -8.883 1.791 1.00 12.31 C ATOM 1711 CG1 ILE A 126 12.783 -8.193 0.398 1.00 20.15 C ATOM 1712 CG2 ILE A 126 14.022 -9.816 1.852 1.00 20.15 C ATOM 1713 CD1 ILE A 126 14.038 -7.382 0.082 1.00 1.03 C ATOM 0 H ILE A 126 9.950 -9.364 0.724 1.00 61.32 H new ATOM 0 HA ILE A 126 11.633 -10.616 1.538 1.00 1.22 H new ATOM 0 HB ILE A 126 12.862 -8.116 2.563 1.00 12.31 H new ATOM 0 HG12 ILE A 126 12.655 -8.956 -0.370 1.00 20.15 H new ATOM 0 HG13 ILE A 126 11.916 -7.535 0.341 1.00 20.15 H new ATOM 0 HG21 ILE A 126 14.927 -9.242 1.652 1.00 20.15 H new ATOM 0 HG22 ILE A 126 14.088 -10.265 2.843 1.00 20.15 H new ATOM 0 HG23 ILE A 126 13.918 -10.602 1.104 1.00 20.15 H new ATOM 0 HD11 ILE A 126 13.943 -6.936 -0.908 1.00 1.03 H new ATOM 0 HD12 ILE A 126 14.159 -6.594 0.825 1.00 1.03 H new ATOM 0 HD13 ILE A 126 14.909 -8.037 0.103 1.00 1.03 H new TER 1724 ILE A 126